USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 668 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 89 THR OG1 : rot 71:sc= 0.78 USER MOD Set 1.2: A 90 HIS : no HD1:sc= 0.0985 K(o=0.88,f=-8!) USER MOD Set 2.1: A 23 TYR OH : rot 7:sc= 1.26 USER MOD Set 2.2: A 78 HIS : no HE2:sc= 0.98 K(o=3.8,f=-2.9!) USER MOD Set 2.3: A 80 TYR OH : rot 110:sc= 1.52 USER MOD Set 3.1: A 58 GLN : amide:sc= -2.28! C(o=-3.8!,f=-12!) USER MOD Set 3.2: A 61 GLN : amide:sc= -1.5 K(o=-3.8,f=-6.3!) USER MOD Set 3.3: A 69 MET CE :methyl -164:sc= 0 (180deg=-0.192) USER MOD Set 4.1: A 50 LYS NZ :NH3+ -117:sc= 2.52 (180deg=0.167) USER MOD Set 4.2: A 73 TYR OH : rot -107:sc= 1.64 USER MOD Single : A 1 ALA N :NH3+ -161:sc= 0.912 (180deg=0.73) USER MOD Single : A 2 THR OG1 : rot -84:sc= 1.15 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0.544 K(o=0.54,f=-0.13) USER MOD Single : A 6 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.15) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 98:sc= -2.78! USER MOD Single : A 27 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.324 USER MOD Single : A 43 SER OG : rot 55:sc= 0.599 USER MOD Single : A 45 SER OG : rot 46:sc= 0.339 USER MOD Single : A 46 SER OG : rot -34:sc= 1.06 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0636 USER MOD Single : A 55 SER OG : rot 180:sc= -0.117 USER MOD Single : A 59 SER OG : rot 98:sc= 1.23 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 1.17 K(o=1.2,f=-6.2!) USER MOD Single : A 76 THR OG1 : rot 96:sc= 0.832 USER MOD Single : A 82 THR OG1 : rot -13:sc= 1.02 USER MOD Single : A 83 SER OG : rot 3:sc= 0.663 USER MOD Single : A 91 LYS NZ :NH3+ -111:sc= 1.87 (180deg=0.619!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.534 -3.109 -0.927 1.00 0.00 N ATOM 2 CA ALA A 1 17.226 -4.447 -0.381 1.00 0.00 C ATOM 3 C ALA A 1 16.307 -5.271 -1.282 1.00 0.00 C ATOM 4 O ALA A 1 16.723 -6.332 -1.738 1.00 0.00 O ATOM 5 CB ALA A 1 16.706 -4.403 1.058 1.00 0.00 C ATOM 0 H1 ALA A 1 18.385 -2.732 -0.463 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.702 -3.182 -1.951 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.732 -2.470 -0.752 1.00 0.00 H new ATOM 0 HA ALA A 1 18.185 -4.964 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.498 -5.417 1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.458 -3.949 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.791 -3.812 1.096 1.00 0.00 H new ATOM 12 N THR A 2 15.084 -4.785 -1.532 1.00 0.00 N ATOM 13 CA THR A 2 14.145 -5.330 -2.506 1.00 0.00 C ATOM 14 C THR A 2 13.390 -6.541 -1.955 1.00 0.00 C ATOM 15 O THR A 2 13.980 -7.594 -1.724 1.00 0.00 O ATOM 16 CB THR A 2 14.848 -5.602 -3.840 1.00 0.00 C ATOM 17 OG1 THR A 2 15.766 -4.562 -4.123 1.00 0.00 O ATOM 18 CG2 THR A 2 13.844 -5.766 -4.988 1.00 0.00 C ATOM 0 H THR A 2 14.713 -3.972 -1.041 1.00 0.00 H new ATOM 0 HA THR A 2 13.379 -4.581 -2.704 1.00 0.00 H new ATOM 0 HB THR A 2 15.391 -6.543 -3.749 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.294 -3.816 -4.548 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.381 -5.957 -5.917 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.180 -6.603 -4.774 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.256 -4.854 -5.090 1.00 0.00 H new ATOM 26 N TYR A 3 12.078 -6.391 -1.738 1.00 0.00 N ATOM 27 CA TYR A 3 11.242 -7.401 -1.103 1.00 0.00 C ATOM 28 C TYR A 3 10.072 -7.794 -1.998 1.00 0.00 C ATOM 29 O TYR A 3 9.641 -7.024 -2.856 1.00 0.00 O ATOM 30 CB TYR A 3 10.728 -6.879 0.240 1.00 0.00 C ATOM 31 CG TYR A 3 11.816 -6.391 1.177 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.866 -7.245 1.566 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.805 -5.057 1.621 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.897 -6.762 2.389 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.803 -4.598 2.492 1.00 0.00 C ATOM 36 CZ TYR A 3 13.859 -5.442 2.865 1.00 0.00 C ATOM 37 OH TYR A 3 14.882 -4.962 3.626 1.00 0.00 O ATOM 0 H TYR A 3 11.566 -5.550 -2.005 1.00 0.00 H new ATOM 0 HA TYR A 3 11.849 -8.291 -0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.030 -6.062 0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.168 -7.672 0.735 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.879 -8.272 1.231 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.027 -4.385 1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.721 -7.408 2.656 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.758 -3.590 2.877 1.00 0.00 H new ATOM 0 HH TYR A 3 14.698 -4.031 3.871 1.00 0.00 H new ATOM 47 N ASN A 4 9.574 -9.012 -1.773 1.00 0.00 N ATOM 48 CA ASN A 4 8.420 -9.627 -2.382 1.00 0.00 C ATOM 49 C ASN A 4 7.174 -9.035 -1.736 1.00 0.00 C ATOM 50 O ASN A 4 6.800 -9.440 -0.637 1.00 0.00 O ATOM 51 CB ASN A 4 8.537 -11.131 -2.091 1.00 0.00 C ATOM 52 CG ASN A 4 7.324 -11.964 -2.481 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.153 -13.065 -1.972 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.510 -11.474 -3.404 1.00 0.00 N ATOM 0 H ASN A 4 10.016 -9.637 -1.099 1.00 0.00 H new ATOM 0 HA ASN A 4 8.360 -9.457 -3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.409 -11.520 -2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.722 -11.265 -1.025 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.706 -12.018 -3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.688 -10.552 -3.803 1.00 0.00 H new ATOM 61 N VAL A 5 6.542 -8.072 -2.404 1.00 0.00 N ATOM 62 CA VAL A 5 5.309 -7.484 -1.908 1.00 0.00 C ATOM 63 C VAL A 5 4.152 -8.051 -2.717 1.00 0.00 C ATOM 64 O VAL A 5 4.104 -7.845 -3.931 1.00 0.00 O ATOM 65 CB VAL A 5 5.353 -5.954 -1.988 1.00 0.00 C ATOM 66 CG1 VAL A 5 4.127 -5.358 -1.279 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.622 -5.431 -1.309 1.00 0.00 C ATOM 0 H VAL A 5 6.867 -7.685 -3.290 1.00 0.00 H new ATOM 0 HA VAL A 5 5.176 -7.735 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 5 5.351 -5.659 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.165 -4.270 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.218 -5.717 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.128 -5.663 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.645 -4.343 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.627 -5.736 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.498 -5.842 -1.810 1.00 0.00 H new ATOM 77 N LYS A 6 3.224 -8.750 -2.058 1.00 0.00 N ATOM 78 CA LYS A 6 1.970 -9.124 -2.677 1.00 0.00 C ATOM 79 C LYS A 6 0.954 -8.005 -2.531 1.00 0.00 C ATOM 80 O LYS A 6 0.682 -7.548 -1.417 1.00 0.00 O ATOM 81 CB LYS A 6 1.434 -10.415 -2.075 1.00 0.00 C ATOM 82 CG LYS A 6 0.109 -10.795 -2.761 1.00 0.00 C ATOM 83 CD LYS A 6 -0.506 -12.058 -2.159 1.00 0.00 C ATOM 84 CE LYS A 6 0.508 -13.197 -2.252 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.136 -14.513 -2.403 1.00 0.00 N ATOM 0 H LYS A 6 3.327 -9.065 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 6 2.149 -9.294 -3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.163 -11.216 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.278 -10.291 -1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.596 -9.969 -2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.283 -10.949 -3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.782 -11.884 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.420 -12.323 -2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.171 -13.021 -3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.129 -13.200 -1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.593 -15.254 -2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.762 -14.688 -1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.695 -14.528 -3.280 1.00 0.00 H new ATOM 99 N LEU A 7 0.337 -7.648 -3.659 1.00 0.00 N ATOM 100 CA LEU A 7 -0.835 -6.806 -3.701 1.00 0.00 C ATOM 101 C LEU A 7 -2.016 -7.676 -4.096 1.00 0.00 C ATOM 102 O LEU A 7 -2.140 -8.011 -5.265 1.00 0.00 O ATOM 103 CB LEU A 7 -0.575 -5.690 -4.715 1.00 0.00 C ATOM 104 CG LEU A 7 0.681 -4.852 -4.436 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.866 -3.837 -5.559 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.632 -4.153 -3.082 1.00 0.00 C ATOM 0 H LEU A 7 0.653 -7.948 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.055 -6.346 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.488 -6.132 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.440 -5.028 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 7 1.534 -5.529 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.757 -3.239 -5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.979 -4.361 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.006 -3.184 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.545 -3.575 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.229 -3.486 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.545 -4.898 -2.291 1.00 0.00 H new ATOM 118 N ILE A 8 -2.875 -8.062 -3.147 1.00 0.00 N ATOM 119 CA ILE A 8 -4.122 -8.746 -3.435 1.00 0.00 C ATOM 120 C ILE A 8 -5.036 -7.698 -4.068 1.00 0.00 C ATOM 121 O ILE A 8 -5.657 -6.878 -3.392 1.00 0.00 O ATOM 122 CB ILE A 8 -4.670 -9.413 -2.159 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.758 -10.562 -1.702 1.00 0.00 C ATOM 124 CG2 ILE A 8 -6.107 -9.917 -2.351 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.872 -10.840 -0.201 1.00 0.00 C ATOM 0 H ILE A 8 -2.715 -7.903 -2.152 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.014 -9.574 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.685 -8.650 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.012 -11.466 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.724 -10.319 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.456 -10.381 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.756 -9.079 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.131 -10.650 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.207 -11.661 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.591 -9.947 0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.899 -11.111 0.042 1.00 0.00 H new ATOM 137 N THR A 9 -5.039 -7.667 -5.396 1.00 0.00 N ATOM 138 CA THR A 9 -5.918 -6.834 -6.182 1.00 0.00 C ATOM 139 C THR A 9 -7.161 -7.649 -6.542 1.00 0.00 C ATOM 140 O THR A 9 -7.048 -8.871 -6.658 1.00 0.00 O ATOM 141 CB THR A 9 -5.191 -6.450 -7.464 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.737 -7.636 -8.092 1.00 0.00 O ATOM 143 CG2 THR A 9 -3.923 -5.650 -7.197 1.00 0.00 C ATOM 0 H THR A 9 -4.411 -8.238 -5.962 1.00 0.00 H new ATOM 0 HA THR A 9 -6.203 -5.940 -5.627 1.00 0.00 H new ATOM 0 HB THR A 9 -5.892 -5.865 -8.059 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.267 -7.408 -8.921 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.443 -5.402 -8.144 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.177 -4.732 -6.667 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.240 -6.243 -6.589 1.00 0.00 H new ATOM 151 N PRO A 10 -8.305 -7.000 -6.811 1.00 0.00 N ATOM 152 CA PRO A 10 -9.533 -7.663 -7.219 1.00 0.00 C ATOM 153 C PRO A 10 -9.329 -8.558 -8.448 1.00 0.00 C ATOM 154 O PRO A 10 -9.963 -9.602 -8.578 1.00 0.00 O ATOM 155 CB PRO A 10 -10.545 -6.556 -7.485 1.00 0.00 C ATOM 156 CG PRO A 10 -9.983 -5.321 -6.808 1.00 0.00 C ATOM 157 CD PRO A 10 -8.492 -5.565 -6.759 1.00 0.00 C ATOM 0 HA PRO A 10 -9.885 -8.337 -6.438 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.675 -6.392 -8.555 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.524 -6.814 -7.081 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.220 -4.417 -7.370 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.398 -5.192 -5.808 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.992 -5.079 -7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.062 -5.151 -5.847 1.00 0.00 H new ATOM 165 N ASP A 11 -8.413 -8.142 -9.329 1.00 0.00 N ATOM 166 CA ASP A 11 -7.949 -8.833 -10.524 1.00 0.00 C ATOM 167 C ASP A 11 -7.502 -10.253 -10.206 1.00 0.00 C ATOM 168 O ASP A 11 -7.638 -11.161 -11.022 1.00 0.00 O ATOM 169 CB ASP A 11 -6.751 -8.053 -11.072 1.00 0.00 C ATOM 170 CG ASP A 11 -7.186 -6.698 -11.595 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.405 -5.836 -10.713 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.320 -6.569 -12.829 1.00 0.00 O ATOM 0 H ASP A 11 -7.944 -7.244 -9.211 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.764 -8.888 -11.246 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.006 -7.923 -10.287 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.276 -8.621 -11.872 1.00 0.00 H new ATOM 177 N GLY A 12 -6.940 -10.408 -9.010 1.00 0.00 N ATOM 178 CA GLY A 12 -6.511 -11.663 -8.451 1.00 0.00 C ATOM 179 C GLY A 12 -5.001 -11.670 -8.253 1.00 0.00 C ATOM 180 O GLY A 12 -4.314 -12.515 -8.820 1.00 0.00 O ATOM 0 H GLY A 12 -6.769 -9.620 -8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.010 -11.832 -7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.801 -12.480 -9.111 1.00 0.00 H new ATOM 184 N GLU A 13 -4.527 -10.729 -7.425 1.00 0.00 N ATOM 185 CA GLU A 13 -3.172 -10.595 -6.905 1.00 0.00 C ATOM 186 C GLU A 13 -2.146 -10.151 -7.939 1.00 0.00 C ATOM 187 O GLU A 13 -2.166 -10.573 -9.091 1.00 0.00 O ATOM 188 CB GLU A 13 -2.684 -11.892 -6.276 1.00 0.00 C ATOM 189 CG GLU A 13 -3.408 -12.284 -4.990 1.00 0.00 C ATOM 190 CD GLU A 13 -3.181 -13.750 -4.634 1.00 0.00 C ATOM 191 OE1 GLU A 13 -2.090 -14.054 -4.099 1.00 0.00 O ATOM 192 OE2 GLU A 13 -4.106 -14.548 -4.880 1.00 0.00 O ATOM 0 H GLU A 13 -5.134 -9.987 -7.078 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.250 -9.808 -6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.797 -12.698 -7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.619 -11.800 -6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.061 -11.654 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.476 -12.099 -5.104 1.00 0.00 H new ATOM 199 N VAL A 14 -1.183 -9.359 -7.466 1.00 0.00 N ATOM 200 CA VAL A 14 0.033 -9.022 -8.179 1.00 0.00 C ATOM 201 C VAL A 14 1.168 -8.952 -7.150 1.00 0.00 C ATOM 202 O VAL A 14 1.335 -7.964 -6.436 1.00 0.00 O ATOM 203 CB VAL A 14 -0.142 -7.751 -9.037 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.214 -7.955 -10.108 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.576 -6.516 -8.251 1.00 0.00 C ATOM 0 H VAL A 14 -1.237 -8.924 -6.545 1.00 0.00 H new ATOM 0 HA VAL A 14 0.289 -9.789 -8.910 1.00 0.00 H new ATOM 0 HB VAL A 14 0.849 -7.583 -9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.317 -7.044 -10.698 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.925 -8.779 -10.760 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.166 -8.187 -9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.675 -5.669 -8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.535 -6.709 -7.770 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.172 -6.287 -7.492 1.00 0.00 H new ATOM 215 N GLU A 15 1.922 -10.046 -7.030 1.00 0.00 N ATOM 216 CA GLU A 15 3.236 -10.021 -6.413 1.00 0.00 C ATOM 217 C GLU A 15 4.207 -9.262 -7.299 1.00 0.00 C ATOM 218 O GLU A 15 4.229 -9.452 -8.513 1.00 0.00 O ATOM 219 CB GLU A 15 3.743 -11.438 -6.132 1.00 0.00 C ATOM 220 CG GLU A 15 3.114 -11.950 -4.836 1.00 0.00 C ATOM 221 CD GLU A 15 3.650 -13.316 -4.439 1.00 0.00 C ATOM 222 OE1 GLU A 15 4.893 -13.403 -4.374 1.00 0.00 O ATOM 223 OE2 GLU A 15 2.822 -14.218 -4.178 1.00 0.00 O ATOM 0 H GLU A 15 1.634 -10.968 -7.359 1.00 0.00 H new ATOM 0 HA GLU A 15 3.160 -9.507 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.488 -12.099 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.830 -11.438 -6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.308 -11.238 -4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.032 -12.007 -4.957 1.00 0.00 H new ATOM 230 N PHE A 16 5.009 -8.403 -6.674 1.00 0.00 N ATOM 231 CA PHE A 16 6.025 -7.622 -7.354 1.00 0.00 C ATOM 232 C PHE A 16 7.184 -7.313 -6.412 1.00 0.00 C ATOM 233 O PHE A 16 7.108 -7.646 -5.222 1.00 0.00 O ATOM 234 CB PHE A 16 5.391 -6.409 -8.015 1.00 0.00 C ATOM 235 CG PHE A 16 5.214 -5.235 -7.101 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.257 -5.274 -6.076 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.162 -4.204 -7.147 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.243 -4.262 -5.108 1.00 0.00 C ATOM 239 CE2 PHE A 16 6.134 -3.193 -6.192 1.00 0.00 C ATOM 240 CZ PHE A 16 5.155 -3.197 -5.189 1.00 0.00 C ATOM 0 H PHE A 16 4.967 -8.232 -5.669 1.00 0.00 H new ATOM 0 HA PHE A 16 6.470 -8.198 -8.165 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.007 -6.107 -8.862 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.418 -6.694 -8.415 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.537 -6.078 -6.034 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.913 -4.194 -7.923 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.530 -4.301 -4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.869 -2.402 -6.223 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.102 -2.384 -4.481 1.00 0.00 H new ATOM 250 N LYS A 17 8.285 -6.771 -6.952 1.00 0.00 N ATOM 251 CA LYS A 17 9.491 -6.524 -6.173 1.00 0.00 C ATOM 252 C LYS A 17 9.601 -5.032 -5.881 1.00 0.00 C ATOM 253 O LYS A 17 9.661 -4.210 -6.792 1.00 0.00 O ATOM 254 CB LYS A 17 10.741 -7.113 -6.852 1.00 0.00 C ATOM 255 CG LYS A 17 11.296 -8.318 -6.068 1.00 0.00 C ATOM 256 CD LYS A 17 10.311 -9.494 -6.022 1.00 0.00 C ATOM 257 CE LYS A 17 10.612 -10.589 -7.053 1.00 0.00 C ATOM 258 NZ LYS A 17 11.630 -11.541 -6.560 1.00 0.00 N ATOM 0 H LYS A 17 8.358 -6.496 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 17 9.423 -7.044 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.493 -7.422 -7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.510 -6.344 -6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.229 -8.647 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.533 -8.007 -5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.328 -9.932 -5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.301 -9.118 -6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.695 -11.128 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.960 -10.131 -7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.807 -12.266 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.513 -11.031 -6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.287 -11.997 -5.690 1.00 0.00 H new ATOM 272 N CYS A 18 9.603 -4.696 -4.591 1.00 0.00 N ATOM 273 CA CYS A 18 9.607 -3.319 -4.131 1.00 0.00 C ATOM 274 C CYS A 18 10.807 -3.046 -3.250 1.00 0.00 C ATOM 275 O CYS A 18 11.050 -3.780 -2.289 1.00 0.00 O ATOM 276 CB CYS A 18 8.327 -2.997 -3.389 1.00 0.00 C ATOM 277 SG CYS A 18 8.270 -1.189 -3.333 1.00 0.00 S ATOM 0 H CYS A 18 9.602 -5.381 -3.835 1.00 0.00 H new ATOM 0 HA CYS A 18 9.671 -2.674 -5.008 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.457 -3.405 -3.904 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.333 -3.424 -2.386 1.00 0.00 H new ATOM 0 HG CYS A 18 7.504 -0.749 -4.287 1.00 0.00 H new ATOM 283 N ASP A 19 11.571 -2.015 -3.601 1.00 0.00 N ATOM 284 CA ASP A 19 12.724 -1.593 -2.843 1.00 0.00 C ATOM 285 C ASP A 19 12.305 -0.896 -1.561 1.00 0.00 C ATOM 286 O ASP A 19 11.335 -0.151 -1.477 1.00 0.00 O ATOM 287 CB ASP A 19 13.660 -0.735 -3.693 1.00 0.00 C ATOM 288 CG ASP A 19 13.967 -1.453 -4.991 1.00 0.00 C ATOM 289 OD1 ASP A 19 14.934 -2.243 -4.969 1.00 0.00 O ATOM 290 OD2 ASP A 19 13.172 -1.270 -5.937 1.00 0.00 O ATOM 0 H ASP A 19 11.397 -1.449 -4.431 1.00 0.00 H new ATOM 0 HA ASP A 19 13.287 -2.480 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.198 0.230 -3.900 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.583 -0.536 -3.148 1.00 0.00 H new ATOM 295 N ASP A 20 13.126 -1.118 -0.558 1.00 0.00 N ATOM 296 CA ASP A 20 13.090 -0.507 0.755 1.00 0.00 C ATOM 297 C ASP A 20 13.158 1.020 0.682 1.00 0.00 C ATOM 298 O ASP A 20 12.669 1.704 1.580 1.00 0.00 O ATOM 299 CB ASP A 20 14.217 -1.106 1.626 1.00 0.00 C ATOM 300 CG ASP A 20 15.569 -1.321 0.936 1.00 0.00 C ATOM 301 OD1 ASP A 20 15.565 -1.725 -0.255 1.00 0.00 O ATOM 302 OD2 ASP A 20 16.610 -1.309 1.618 1.00 0.00 O ATOM 0 H ASP A 20 13.896 -1.781 -0.645 1.00 0.00 H new ATOM 0 HA ASP A 20 12.132 -0.733 1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.371 -0.451 2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.875 -2.065 2.015 1.00 0.00 H new ATOM 307 N ASP A 21 13.728 1.543 -0.402 1.00 0.00 N ATOM 308 CA ASP A 21 13.945 2.961 -0.640 1.00 0.00 C ATOM 309 C ASP A 21 12.929 3.520 -1.642 1.00 0.00 C ATOM 310 O ASP A 21 13.103 4.648 -2.101 1.00 0.00 O ATOM 311 CB ASP A 21 15.372 3.168 -1.176 1.00 0.00 C ATOM 312 CG ASP A 21 16.461 2.891 -0.150 1.00 0.00 C ATOM 313 OD1 ASP A 21 16.432 3.559 0.906 1.00 0.00 O ATOM 314 OD2 ASP A 21 17.328 2.047 -0.463 1.00 0.00 O ATOM 0 H ASP A 21 14.064 0.961 -1.169 1.00 0.00 H new ATOM 0 HA ASP A 21 13.815 3.495 0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.524 2.518 -2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.472 4.194 -1.530 1.00 0.00 H new ATOM 319 N VAL A 22 11.883 2.767 -2.012 1.00 0.00 N ATOM 320 CA VAL A 22 10.935 3.207 -3.031 1.00 0.00 C ATOM 321 C VAL A 22 9.497 2.959 -2.582 1.00 0.00 C ATOM 322 O VAL A 22 9.238 2.153 -1.690 1.00 0.00 O ATOM 323 CB VAL A 22 11.286 2.547 -4.376 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.702 1.144 -4.520 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.808 3.378 -5.566 1.00 0.00 C ATOM 0 H VAL A 22 11.677 1.850 -1.617 1.00 0.00 H new ATOM 0 HA VAL A 22 11.013 4.285 -3.174 1.00 0.00 H new ATOM 0 HB VAL A 22 12.374 2.484 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.983 0.730 -5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.089 0.505 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.615 1.193 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.078 2.873 -6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.725 3.494 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.280 4.360 -5.537 1.00 0.00 H new ATOM 335 N TYR A 23 8.559 3.693 -3.182 1.00 0.00 N ATOM 336 CA TYR A 23 7.160 3.621 -2.814 1.00 0.00 C ATOM 337 C TYR A 23 6.516 2.371 -3.411 1.00 0.00 C ATOM 338 O TYR A 23 6.749 2.064 -4.580 1.00 0.00 O ATOM 339 CB TYR A 23 6.443 4.893 -3.272 1.00 0.00 C ATOM 340 CG TYR A 23 6.923 6.158 -2.586 1.00 0.00 C ATOM 341 CD1 TYR A 23 6.729 6.304 -1.202 1.00 0.00 C ATOM 342 CD2 TYR A 23 7.507 7.208 -3.320 1.00 0.00 C ATOM 343 CE1 TYR A 23 7.009 7.528 -0.574 1.00 0.00 C ATOM 344 CE2 TYR A 23 7.813 8.427 -2.682 1.00 0.00 C ATOM 345 CZ TYR A 23 7.532 8.599 -1.314 1.00 0.00 C ATOM 346 OH TYR A 23 7.734 9.807 -0.714 1.00 0.00 O ATOM 0 H TYR A 23 8.756 4.351 -3.936 1.00 0.00 H new ATOM 0 HA TYR A 23 7.073 3.549 -1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.575 5.004 -4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.374 4.779 -3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.363 5.472 -0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.720 7.080 -4.371 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.821 7.646 0.483 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.264 9.231 -3.244 1.00 0.00 H new ATOM 0 HH TYR A 23 7.570 9.726 0.249 1.00 0.00 H new ATOM 356 N VAL A 24 5.674 1.673 -2.636 1.00 0.00 N ATOM 357 CA VAL A 24 4.985 0.472 -3.115 1.00 0.00 C ATOM 358 C VAL A 24 4.321 0.727 -4.480 1.00 0.00 C ATOM 359 O VAL A 24 4.521 -0.034 -5.426 1.00 0.00 O ATOM 360 CB VAL A 24 4.016 -0.096 -2.054 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.532 -1.493 -2.454 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.693 -0.296 -0.691 1.00 0.00 C ATOM 0 H VAL A 24 5.455 1.923 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 24 5.728 -0.309 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 24 3.206 0.631 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.851 -1.874 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.013 -1.438 -3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.387 -2.163 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.970 -0.697 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.523 -0.994 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.067 0.661 -0.327 1.00 0.00 H new ATOM 372 N LEU A 25 3.574 1.829 -4.593 1.00 0.00 N ATOM 373 CA LEU A 25 2.909 2.234 -5.828 1.00 0.00 C ATOM 374 C LEU A 25 3.870 2.418 -7.010 1.00 0.00 C ATOM 375 O LEU A 25 3.515 2.104 -8.142 1.00 0.00 O ATOM 376 CB LEU A 25 2.088 3.514 -5.614 1.00 0.00 C ATOM 377 CG LEU A 25 2.894 4.699 -5.041 1.00 0.00 C ATOM 378 CD1 LEU A 25 2.537 5.991 -5.781 1.00 0.00 C ATOM 379 CD2 LEU A 25 2.589 4.886 -3.556 1.00 0.00 C ATOM 0 H LEU A 25 3.414 2.471 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 25 2.243 1.411 -6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.651 3.814 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.261 3.292 -4.939 1.00 0.00 H new ATOM 0 HG LEU A 25 3.954 4.479 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.113 6.819 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.771 5.880 -6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.473 6.195 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.166 5.726 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.525 5.086 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.858 3.980 -3.013 1.00 0.00 H new ATOM 391 N ASP A 26 5.065 2.954 -6.760 1.00 0.00 N ATOM 392 CA ASP A 26 5.956 3.420 -7.811 1.00 0.00 C ATOM 393 C ASP A 26 6.434 2.224 -8.619 1.00 0.00 C ATOM 394 O ASP A 26 6.081 2.048 -9.786 1.00 0.00 O ATOM 395 CB ASP A 26 7.112 4.171 -7.156 1.00 0.00 C ATOM 396 CG ASP A 26 8.143 4.651 -8.160 1.00 0.00 C ATOM 397 OD1 ASP A 26 7.974 5.791 -8.639 1.00 0.00 O ATOM 398 OD2 ASP A 26 9.099 3.881 -8.382 1.00 0.00 O ATOM 0 H ASP A 26 5.439 3.075 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 26 5.449 4.099 -8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.719 5.027 -6.608 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.596 3.521 -6.427 1.00 0.00 H new ATOM 403 N GLN A 27 7.174 1.349 -7.938 1.00 0.00 N ATOM 404 CA GLN A 27 7.654 0.128 -8.550 1.00 0.00 C ATOM 405 C GLN A 27 6.481 -0.693 -9.087 1.00 0.00 C ATOM 406 O GLN A 27 6.567 -1.245 -10.177 1.00 0.00 O ATOM 407 CB GLN A 27 8.493 -0.693 -7.566 1.00 0.00 C ATOM 408 CG GLN A 27 9.944 -0.211 -7.478 1.00 0.00 C ATOM 409 CD GLN A 27 10.740 -0.435 -8.759 1.00 0.00 C ATOM 410 OE1 GLN A 27 11.285 0.499 -9.336 1.00 0.00 O ATOM 411 NE2 GLN A 27 10.820 -1.680 -9.220 1.00 0.00 N ATOM 0 H GLN A 27 7.449 1.470 -6.963 1.00 0.00 H new ATOM 0 HA GLN A 27 8.299 0.397 -9.386 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.038 -0.643 -6.577 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.480 -1.740 -7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.951 0.852 -7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.441 -0.727 -6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.357 -2.439 -8.721 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.344 -1.875 -10.073 1.00 0.00 H new ATOM 420 N ALA A 28 5.373 -0.771 -8.345 1.00 0.00 N ATOM 421 CA ALA A 28 4.181 -1.452 -8.827 1.00 0.00 C ATOM 422 C ALA A 28 3.795 -0.979 -10.227 1.00 0.00 C ATOM 423 O ALA A 28 3.748 -1.786 -11.160 1.00 0.00 O ATOM 424 CB ALA A 28 3.048 -1.240 -7.832 1.00 0.00 C ATOM 0 H ALA A 28 5.282 -0.370 -7.411 1.00 0.00 H new ATOM 0 HA ALA A 28 4.388 -2.519 -8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.152 -1.748 -8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.335 -1.646 -6.862 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.845 -0.174 -7.733 1.00 0.00 H new ATOM 430 N GLU A 29 3.524 0.317 -10.392 1.00 0.00 N ATOM 431 CA GLU A 29 3.181 0.848 -11.701 1.00 0.00 C ATOM 432 C GLU A 29 4.299 0.533 -12.709 1.00 0.00 C ATOM 433 O GLU A 29 3.992 0.142 -13.833 1.00 0.00 O ATOM 434 CB GLU A 29 2.872 2.349 -11.632 1.00 0.00 C ATOM 435 CG GLU A 29 1.532 2.616 -10.934 1.00 0.00 C ATOM 436 CD GLU A 29 1.180 4.098 -10.970 1.00 0.00 C ATOM 437 OE1 GLU A 29 0.725 4.549 -12.043 1.00 0.00 O ATOM 438 OE2 GLU A 29 1.384 4.757 -9.928 1.00 0.00 O ATOM 0 H GLU A 29 3.536 1.007 -9.641 1.00 0.00 H new ATOM 0 HA GLU A 29 2.270 0.360 -12.048 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.671 2.862 -11.096 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.847 2.763 -12.640 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.744 2.040 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.583 2.276 -9.900 1.00 0.00 H new ATOM 445 N GLU A 30 5.576 0.628 -12.310 1.00 0.00 N ATOM 446 CA GLU A 30 6.693 0.187 -13.152 1.00 0.00 C ATOM 447 C GLU A 30 6.538 -1.251 -13.647 1.00 0.00 C ATOM 448 O GLU A 30 6.826 -1.538 -14.809 1.00 0.00 O ATOM 449 CB GLU A 30 8.061 0.435 -12.501 1.00 0.00 C ATOM 450 CG GLU A 30 8.370 1.928 -12.310 1.00 0.00 C ATOM 451 CD GLU A 30 8.896 2.566 -13.591 1.00 0.00 C ATOM 452 OE1 GLU A 30 10.050 2.240 -13.951 1.00 0.00 O ATOM 453 OE2 GLU A 30 8.140 3.352 -14.201 1.00 0.00 O ATOM 0 H GLU A 30 5.859 1.008 -11.407 1.00 0.00 H new ATOM 0 HA GLU A 30 6.656 0.817 -14.040 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.093 -0.064 -11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.838 -0.016 -13.118 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.467 2.448 -11.989 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.106 2.048 -11.515 1.00 0.00 H new ATOM 460 N GLU A 31 6.072 -2.161 -12.793 1.00 0.00 N ATOM 461 CA GLU A 31 5.889 -3.555 -13.190 1.00 0.00 C ATOM 462 C GLU A 31 4.648 -3.682 -14.071 1.00 0.00 C ATOM 463 O GLU A 31 4.528 -4.607 -14.873 1.00 0.00 O ATOM 464 CB GLU A 31 5.801 -4.452 -11.951 1.00 0.00 C ATOM 465 CG GLU A 31 6.958 -4.130 -10.992 1.00 0.00 C ATOM 466 CD GLU A 31 7.871 -5.330 -10.689 1.00 0.00 C ATOM 467 OE1 GLU A 31 8.233 -6.023 -11.663 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.180 -5.565 -9.496 1.00 0.00 O ATOM 0 H GLU A 31 5.816 -1.959 -11.827 1.00 0.00 H new ATOM 0 HA GLU A 31 6.750 -3.885 -13.772 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.846 -4.300 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.842 -5.500 -12.246 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.559 -3.328 -11.421 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.546 -3.754 -10.055 1.00 0.00 H new ATOM 475 N GLY A 32 3.724 -2.736 -13.903 1.00 0.00 N ATOM 476 CA GLY A 32 2.507 -2.591 -14.688 1.00 0.00 C ATOM 477 C GLY A 32 1.269 -2.720 -13.808 1.00 0.00 C ATOM 478 O GLY A 32 0.163 -2.887 -14.317 1.00 0.00 O ATOM 0 H GLY A 32 3.811 -2.020 -13.182 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.504 -1.621 -15.185 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.482 -3.350 -15.470 1.00 0.00 H new ATOM 482 N ILE A 33 1.441 -2.673 -12.486 1.00 0.00 N ATOM 483 CA ILE A 33 0.338 -2.849 -11.558 1.00 0.00 C ATOM 484 C ILE A 33 -0.525 -1.595 -11.500 1.00 0.00 C ATOM 485 O ILE A 33 -0.100 -0.549 -11.009 1.00 0.00 O ATOM 486 CB ILE A 33 0.892 -3.167 -10.177 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.641 -4.497 -10.216 1.00 0.00 C ATOM 488 CG2 ILE A 33 -0.222 -3.135 -9.120 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.508 -4.739 -8.980 1.00 0.00 C ATOM 0 H ILE A 33 2.343 -2.513 -12.038 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.287 -3.673 -11.902 1.00 0.00 H new ATOM 0 HB ILE A 33 1.609 -2.400 -9.884 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.920 -5.309 -10.311 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.271 -4.525 -11.105 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.198 -3.365 -8.141 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.673 -2.143 -9.097 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.983 -3.874 -9.371 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.012 -5.701 -9.072 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.251 -3.946 -8.896 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.879 -4.743 -8.090 1.00 0.00 H new ATOM 501 N ASP A 34 -1.778 -1.737 -11.918 1.00 0.00 N ATOM 502 CA ASP A 34 -2.755 -0.659 -11.905 1.00 0.00 C ATOM 503 C ASP A 34 -3.341 -0.489 -10.503 1.00 0.00 C ATOM 504 O ASP A 34 -4.521 -0.738 -10.261 1.00 0.00 O ATOM 505 CB ASP A 34 -3.829 -0.985 -12.939 1.00 0.00 C ATOM 506 CG ASP A 34 -4.846 0.139 -13.120 1.00 0.00 C ATOM 507 OD1 ASP A 34 -4.467 1.305 -12.881 1.00 0.00 O ATOM 508 OD2 ASP A 34 -5.978 -0.184 -13.537 1.00 0.00 O ATOM 0 H ASP A 34 -2.147 -2.617 -12.280 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.287 0.291 -12.164 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.352 -1.193 -13.897 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.350 -1.894 -12.639 1.00 0.00 H new ATOM 513 N ILE A 35 -2.499 -0.115 -9.535 1.00 0.00 N ATOM 514 CA ILE A 35 -2.995 0.195 -8.203 1.00 0.00 C ATOM 515 C ILE A 35 -3.854 1.469 -8.288 1.00 0.00 C ATOM 516 O ILE A 35 -3.660 2.292 -9.183 1.00 0.00 O ATOM 517 CB ILE A 35 -1.823 0.303 -7.198 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.863 -0.736 -6.070 1.00 0.00 C ATOM 519 CG2 ILE A 35 -1.492 1.738 -6.757 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.612 -0.700 -5.183 1.00 0.00 C ATOM 0 H ILE A 35 -1.490 -0.022 -9.651 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.628 -0.608 -7.826 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.944 0.015 -7.775 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.745 -0.562 -5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.967 -1.731 -6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.659 1.720 -6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.218 2.332 -7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.364 2.181 -6.276 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.697 -1.457 -4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.270 -0.902 -5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.519 0.285 -4.725 1.00 0.00 H new ATOM 532 N PRO A 36 -4.782 1.677 -7.344 1.00 0.00 N ATOM 533 CA PRO A 36 -5.588 2.879 -7.271 1.00 0.00 C ATOM 534 C PRO A 36 -4.716 4.053 -6.812 1.00 0.00 C ATOM 535 O PRO A 36 -4.777 4.457 -5.657 1.00 0.00 O ATOM 536 CB PRO A 36 -6.734 2.543 -6.308 1.00 0.00 C ATOM 537 CG PRO A 36 -6.246 1.349 -5.480 1.00 0.00 C ATOM 538 CD PRO A 36 -5.030 0.799 -6.225 1.00 0.00 C ATOM 0 HA PRO A 36 -6.002 3.188 -8.231 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.969 3.393 -5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.644 2.294 -6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.980 1.656 -4.469 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.025 0.592 -5.388 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.162 0.759 -5.567 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.217 -0.218 -6.568 1.00 0.00 H new ATOM 546 N TYR A 37 -3.893 4.582 -7.725 1.00 0.00 N ATOM 547 CA TYR A 37 -2.988 5.697 -7.479 1.00 0.00 C ATOM 548 C TYR A 37 -3.763 6.916 -6.961 1.00 0.00 C ATOM 549 O TYR A 37 -3.571 7.307 -5.818 1.00 0.00 O ATOM 550 CB TYR A 37 -2.188 5.990 -8.757 1.00 0.00 C ATOM 551 CG TYR A 37 -1.222 7.157 -8.663 1.00 0.00 C ATOM 552 CD1 TYR A 37 0.094 6.953 -8.210 1.00 0.00 C ATOM 553 CD2 TYR A 37 -1.605 8.429 -9.125 1.00 0.00 C ATOM 554 CE1 TYR A 37 1.027 8.005 -8.250 1.00 0.00 C ATOM 555 CE2 TYR A 37 -0.692 9.497 -9.102 1.00 0.00 C ATOM 556 CZ TYR A 37 0.632 9.276 -8.694 1.00 0.00 C ATOM 557 OH TYR A 37 1.553 10.279 -8.787 1.00 0.00 O ATOM 0 H TYR A 37 -3.841 4.232 -8.682 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.274 5.438 -6.697 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.627 5.096 -9.028 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -2.889 6.184 -9.569 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.389 5.986 -7.830 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.606 8.586 -9.499 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.047 7.834 -7.939 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.009 10.486 -9.398 1.00 0.00 H new ATOM 0 HH TYR A 37 1.117 11.095 -9.111 1.00 0.00 H new ATOM 567 N SER A 38 -4.664 7.477 -7.779 1.00 0.00 N ATOM 568 CA SER A 38 -5.513 8.617 -7.417 1.00 0.00 C ATOM 569 C SER A 38 -4.664 9.887 -7.196 1.00 0.00 C ATOM 570 O SER A 38 -3.822 10.198 -8.038 1.00 0.00 O ATOM 571 CB SER A 38 -6.446 8.215 -6.258 1.00 0.00 C ATOM 572 OG SER A 38 -7.283 9.281 -5.844 1.00 0.00 O ATOM 0 H SER A 38 -4.825 7.143 -8.729 1.00 0.00 H new ATOM 0 HA SER A 38 -6.176 8.890 -8.238 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.063 7.371 -6.568 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.846 7.878 -5.412 1.00 0.00 H new ATOM 0 HG SER A 38 -7.857 8.980 -5.109 1.00 0.00 H new ATOM 578 N CYS A 39 -4.892 10.655 -6.122 1.00 0.00 N ATOM 579 CA CYS A 39 -3.953 11.684 -5.664 1.00 0.00 C ATOM 580 C CYS A 39 -2.583 11.058 -5.374 1.00 0.00 C ATOM 581 O CYS A 39 -2.426 9.846 -5.438 1.00 0.00 O ATOM 582 CB CYS A 39 -4.504 12.488 -4.492 1.00 0.00 C ATOM 583 SG CYS A 39 -3.633 12.452 -2.878 1.00 0.00 S ATOM 0 H CYS A 39 -5.732 10.579 -5.548 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.818 12.408 -6.467 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.560 13.529 -4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.526 12.152 -4.318 1.00 0.00 H new ATOM 588 N ARG A 40 -1.572 11.876 -5.079 1.00 0.00 N ATOM 589 CA ARG A 40 -0.375 11.380 -4.421 1.00 0.00 C ATOM 590 C ARG A 40 0.308 12.544 -3.707 1.00 0.00 C ATOM 591 O ARG A 40 1.015 13.343 -4.332 1.00 0.00 O ATOM 592 CB ARG A 40 0.537 10.627 -5.407 1.00 0.00 C ATOM 593 CG ARG A 40 1.733 9.953 -4.707 1.00 0.00 C ATOM 594 CD ARG A 40 3.069 10.458 -5.263 1.00 0.00 C ATOM 595 NE ARG A 40 3.128 11.915 -5.122 1.00 0.00 N ATOM 596 CZ ARG A 40 3.795 12.785 -5.883 1.00 0.00 C ATOM 597 NH1 ARG A 40 4.808 12.369 -6.650 1.00 0.00 N ATOM 598 NH2 ARG A 40 3.407 14.063 -5.853 1.00 0.00 N ATOM 0 H ARG A 40 -1.562 12.875 -5.285 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.636 10.638 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.047 9.870 -5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.906 11.323 -6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.686 10.149 -3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.669 8.873 -4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.898 9.995 -4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.170 10.177 -6.311 1.00 0.00 H new ATOM 0 HE ARG A 40 2.595 12.313 -4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.073 11.384 -6.655 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.316 13.037 -7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.625 14.345 -5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.893 14.757 -6.421 1.00 0.00 H new ATOM 612 N ALA A 41 0.117 12.621 -2.389 1.00 0.00 N ATOM 613 CA ALA A 41 0.667 13.680 -1.549 1.00 0.00 C ATOM 614 C ALA A 41 0.763 13.281 -0.073 1.00 0.00 C ATOM 615 O ALA A 41 1.696 13.705 0.603 1.00 0.00 O ATOM 616 CB ALA A 41 -0.173 14.953 -1.700 1.00 0.00 C ATOM 0 H ALA A 41 -0.433 11.937 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 41 1.686 13.864 -1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.243 15.740 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.160 15.276 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.200 14.750 -1.396 1.00 0.00 H new ATOM 622 N GLY A 42 -0.206 12.514 0.439 1.00 0.00 N ATOM 623 CA GLY A 42 -0.250 12.157 1.847 1.00 0.00 C ATOM 624 C GLY A 42 -0.920 13.288 2.626 1.00 0.00 C ATOM 625 O GLY A 42 -0.246 14.088 3.270 1.00 0.00 O ATOM 0 H GLY A 42 -0.973 12.130 -0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.803 11.227 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.758 11.986 2.224 1.00 0.00 H new ATOM 629 N SER A 43 -2.254 13.351 2.534 1.00 0.00 N ATOM 630 CA SER A 43 -3.110 14.338 3.193 1.00 0.00 C ATOM 631 C SER A 43 -4.590 14.116 2.862 1.00 0.00 C ATOM 632 O SER A 43 -5.442 14.550 3.636 1.00 0.00 O ATOM 633 CB SER A 43 -2.731 15.785 2.819 1.00 0.00 C ATOM 634 OG SER A 43 -1.843 16.369 3.753 1.00 0.00 O ATOM 0 H SER A 43 -2.787 12.686 1.974 1.00 0.00 H new ATOM 0 HA SER A 43 -2.951 14.198 4.262 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.271 15.793 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.636 16.390 2.755 1.00 0.00 H new ATOM 0 HG SER A 43 -1.054 15.797 3.856 1.00 0.00 H new ATOM 640 N CYS A 44 -4.910 13.521 1.705 1.00 0.00 N ATOM 641 CA CYS A 44 -6.297 13.287 1.325 1.00 0.00 C ATOM 642 C CYS A 44 -6.958 12.258 2.253 1.00 0.00 C ATOM 643 O CYS A 44 -6.342 11.759 3.196 1.00 0.00 O ATOM 644 CB CYS A 44 -6.400 12.898 -0.136 1.00 0.00 C ATOM 645 SG CYS A 44 -6.486 11.116 -0.469 1.00 0.00 S ATOM 0 H CYS A 44 -4.225 13.196 1.022 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.849 14.219 1.445 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.287 13.371 -0.558 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.539 13.307 -0.664 1.00 0.00 H new ATOM 650 N SER A 45 -8.234 11.961 1.988 1.00 0.00 N ATOM 651 CA SER A 45 -8.971 10.901 2.650 1.00 0.00 C ATOM 652 C SER A 45 -9.615 10.028 1.574 1.00 0.00 C ATOM 653 O SER A 45 -10.831 10.036 1.394 1.00 0.00 O ATOM 654 CB SER A 45 -9.975 11.508 3.640 1.00 0.00 C ATOM 655 OG SER A 45 -10.460 10.529 4.535 1.00 0.00 O ATOM 0 H SER A 45 -8.786 12.465 1.294 1.00 0.00 H new ATOM 0 HA SER A 45 -8.317 10.262 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.498 12.313 4.200 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.808 11.950 3.093 1.00 0.00 H new ATOM 0 HG SER A 45 -9.711 9.994 4.871 1.00 0.00 H new ATOM 661 N SER A 46 -8.784 9.293 0.835 1.00 0.00 N ATOM 662 CA SER A 46 -9.186 8.289 -0.133 1.00 0.00 C ATOM 663 C SER A 46 -7.959 7.420 -0.419 1.00 0.00 C ATOM 664 O SER A 46 -6.865 7.788 0.007 1.00 0.00 O ATOM 665 CB SER A 46 -9.780 8.934 -1.398 1.00 0.00 C ATOM 666 OG SER A 46 -8.821 9.643 -2.160 1.00 0.00 O ATOM 0 H SER A 46 -7.771 9.390 0.902 1.00 0.00 H new ATOM 0 HA SER A 46 -9.986 7.662 0.262 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.228 8.158 -2.019 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.582 9.614 -1.110 1.00 0.00 H new ATOM 0 HG SER A 46 -8.163 10.051 -1.559 1.00 0.00 H new ATOM 672 N CYS A 47 -8.167 6.287 -1.101 1.00 0.00 N ATOM 673 CA CYS A 47 -7.154 5.286 -1.435 1.00 0.00 C ATOM 674 C CYS A 47 -6.624 4.577 -0.175 1.00 0.00 C ATOM 675 O CYS A 47 -6.620 5.141 0.918 1.00 0.00 O ATOM 676 CB CYS A 47 -6.080 5.855 -2.339 1.00 0.00 C ATOM 677 SG CYS A 47 -4.457 6.049 -1.563 1.00 0.00 S ATOM 0 H CYS A 47 -9.091 6.034 -1.450 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.627 4.500 -2.024 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.976 5.206 -3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.411 6.827 -2.705 1.00 0.00 H new ATOM 682 N ALA A 48 -6.255 3.295 -0.312 1.00 0.00 N ATOM 683 CA ALA A 48 -5.743 2.440 0.758 1.00 0.00 C ATOM 684 C ALA A 48 -5.697 0.986 0.322 1.00 0.00 C ATOM 685 O ALA A 48 -6.276 0.602 -0.700 1.00 0.00 O ATOM 686 CB ALA A 48 -6.567 2.567 2.046 1.00 0.00 C ATOM 0 H ALA A 48 -6.309 2.811 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.730 2.783 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.149 1.913 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.539 3.599 2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.599 2.279 1.847 1.00 0.00 H new ATOM 692 N GLY A 49 -5.035 0.185 1.158 1.00 0.00 N ATOM 693 CA GLY A 49 -5.036 -1.256 1.113 1.00 0.00 C ATOM 694 C GLY A 49 -5.066 -1.837 2.525 1.00 0.00 C ATOM 695 O GLY A 49 -4.835 -1.113 3.490 1.00 0.00 O ATOM 0 H GLY A 49 -4.460 0.553 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.901 -1.607 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.149 -1.610 0.587 1.00 0.00 H new ATOM 699 N LYS A 50 -5.358 -3.135 2.640 1.00 0.00 N ATOM 700 CA LYS A 50 -5.429 -3.891 3.872 1.00 0.00 C ATOM 701 C LYS A 50 -4.157 -4.714 4.056 1.00 0.00 C ATOM 702 O LYS A 50 -3.968 -5.689 3.339 1.00 0.00 O ATOM 703 CB LYS A 50 -6.673 -4.784 3.814 1.00 0.00 C ATOM 704 CG LYS A 50 -7.304 -4.981 5.196 1.00 0.00 C ATOM 705 CD LYS A 50 -8.805 -5.192 5.015 1.00 0.00 C ATOM 706 CE LYS A 50 -9.543 -4.957 6.339 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.983 -4.695 6.091 1.00 0.00 N ATOM 0 H LYS A 50 -5.561 -3.711 1.823 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.508 -3.222 4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.406 -4.340 3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.403 -5.754 3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.858 -5.840 5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.117 -4.111 5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.185 -4.511 4.254 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.996 -6.205 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.432 -5.828 6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.099 -4.112 6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.221 -3.735 6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.181 -4.780 5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.557 -5.387 6.614 1.00 0.00 H new ATOM 721 N VAL A 51 -3.281 -4.338 4.987 1.00 0.00 N ATOM 722 CA VAL A 51 -2.120 -5.132 5.358 1.00 0.00 C ATOM 723 C VAL A 51 -2.601 -6.498 5.867 1.00 0.00 C ATOM 724 O VAL A 51 -3.165 -6.589 6.955 1.00 0.00 O ATOM 725 CB VAL A 51 -1.304 -4.408 6.443 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.009 -5.168 6.763 1.00 0.00 C ATOM 727 CG2 VAL A 51 -0.938 -2.987 6.012 1.00 0.00 C ATOM 0 H VAL A 51 -3.362 -3.464 5.507 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.475 -5.272 4.491 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.934 -4.366 7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.546 -4.632 7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.253 -6.168 7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.600 -5.244 5.862 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.362 -2.504 6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.342 -3.025 5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.848 -2.417 5.827 1.00 0.00 H new ATOM 737 N VAL A 52 -2.368 -7.562 5.098 1.00 0.00 N ATOM 738 CA VAL A 52 -2.628 -8.928 5.533 1.00 0.00 C ATOM 739 C VAL A 52 -1.498 -9.376 6.458 1.00 0.00 C ATOM 740 O VAL A 52 -1.749 -9.965 7.507 1.00 0.00 O ATOM 741 CB VAL A 52 -2.756 -9.843 4.306 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.693 -11.339 4.644 1.00 0.00 C ATOM 743 CG2 VAL A 52 -4.070 -9.548 3.580 1.00 0.00 C ATOM 0 H VAL A 52 -1.992 -7.497 4.152 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.566 -8.983 6.086 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.898 -9.626 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.790 -11.923 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.738 -11.565 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.506 -11.593 5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.159 -10.198 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.907 -9.728 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.082 -8.507 3.258 1.00 0.00 H new ATOM 753 N SER A 53 -0.246 -9.131 6.061 1.00 0.00 N ATOM 754 CA SER A 53 0.912 -9.485 6.866 1.00 0.00 C ATOM 755 C SER A 53 2.128 -8.717 6.369 1.00 0.00 C ATOM 756 O SER A 53 2.039 -8.005 5.371 1.00 0.00 O ATOM 757 CB SER A 53 1.182 -10.992 6.796 1.00 0.00 C ATOM 758 OG SER A 53 2.019 -11.375 7.870 1.00 0.00 O ATOM 0 H SER A 53 -0.014 -8.683 5.175 1.00 0.00 H new ATOM 0 HA SER A 53 0.711 -9.221 7.904 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.242 -11.542 6.840 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.654 -11.243 5.846 1.00 0.00 H new ATOM 0 HG SER A 53 2.189 -12.339 7.825 1.00 0.00 H new ATOM 764 N GLY A 54 3.261 -8.902 7.042 1.00 0.00 N ATOM 765 CA GLY A 54 4.488 -8.170 6.775 1.00 0.00 C ATOM 766 C GLY A 54 4.626 -6.968 7.699 1.00 0.00 C ATOM 767 O GLY A 54 3.947 -6.871 8.723 1.00 0.00 O ATOM 0 H GLY A 54 3.350 -9.578 7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.344 -8.832 6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.497 -7.837 5.737 1.00 0.00 H new ATOM 771 N SER A 55 5.489 -6.024 7.322 1.00 0.00 N ATOM 772 CA SER A 55 5.586 -4.721 7.939 1.00 0.00 C ATOM 773 C SER A 55 6.212 -3.772 6.926 1.00 0.00 C ATOM 774 O SER A 55 7.079 -4.170 6.143 1.00 0.00 O ATOM 775 CB SER A 55 6.446 -4.758 9.198 1.00 0.00 C ATOM 776 OG SER A 55 6.111 -5.839 10.049 1.00 0.00 O ATOM 0 H SER A 55 6.152 -6.158 6.559 1.00 0.00 H new ATOM 0 HA SER A 55 4.590 -4.389 8.232 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.496 -4.834 8.915 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.329 -3.821 9.742 1.00 0.00 H new ATOM 0 HG SER A 55 6.688 -5.823 10.841 1.00 0.00 H new ATOM 782 N ILE A 56 5.767 -2.524 6.947 1.00 0.00 N ATOM 783 CA ILE A 56 6.188 -1.461 6.063 1.00 0.00 C ATOM 784 C ILE A 56 6.202 -0.184 6.889 1.00 0.00 C ATOM 785 O ILE A 56 5.588 -0.151 7.958 1.00 0.00 O ATOM 786 CB ILE A 56 5.219 -1.348 4.876 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.787 -1.003 5.309 1.00 0.00 C ATOM 788 CG2 ILE A 56 5.196 -2.659 4.081 1.00 0.00 C ATOM 789 CD1 ILE A 56 2.897 -0.688 4.108 1.00 0.00 C ATOM 0 H ILE A 56 5.065 -2.215 7.620 1.00 0.00 H new ATOM 0 HA ILE A 56 7.178 -1.654 5.649 1.00 0.00 H new ATOM 0 HB ILE A 56 5.587 -0.532 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.364 -1.838 5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.806 -0.146 5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.505 -2.564 3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.196 -2.874 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.870 -3.472 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.891 -0.449 4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.307 0.164 3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.857 -1.554 3.448 1.00 0.00 H new ATOM 801 N ASP A 57 6.861 0.854 6.383 1.00 0.00 N ATOM 802 CA ASP A 57 6.850 2.172 6.976 1.00 0.00 C ATOM 803 C ASP A 57 6.030 3.077 6.066 1.00 0.00 C ATOM 804 O ASP A 57 6.449 3.374 4.947 1.00 0.00 O ATOM 805 CB ASP A 57 8.286 2.681 7.138 1.00 0.00 C ATOM 806 CG ASP A 57 8.295 4.119 7.637 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.231 4.550 8.136 1.00 0.00 O ATOM 808 OD2 ASP A 57 9.354 4.765 7.523 1.00 0.00 O ATOM 0 H ASP A 57 7.425 0.794 5.535 1.00 0.00 H new ATOM 0 HA ASP A 57 6.402 2.156 7.970 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.826 2.044 7.839 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.809 2.619 6.184 1.00 0.00 H new ATOM 813 N GLN A 58 4.844 3.480 6.533 1.00 0.00 N ATOM 814 CA GLN A 58 4.034 4.494 5.885 1.00 0.00 C ATOM 815 C GLN A 58 4.087 5.837 6.634 1.00 0.00 C ATOM 816 O GLN A 58 3.190 6.668 6.493 1.00 0.00 O ATOM 817 CB GLN A 58 2.616 3.946 5.683 1.00 0.00 C ATOM 818 CG GLN A 58 2.081 3.277 6.943 1.00 0.00 C ATOM 819 CD GLN A 58 0.577 3.015 6.915 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.191 3.489 6.082 1.00 0.00 O ATOM 821 NE2 GLN A 58 0.136 2.220 7.868 1.00 0.00 N ATOM 0 H GLN A 58 4.423 3.102 7.381 1.00 0.00 H new ATOM 0 HA GLN A 58 4.442 4.720 4.900 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.950 4.759 5.393 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.618 3.228 4.863 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.602 2.331 7.089 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.314 3.905 7.803 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.787 1.834 8.552 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.856 1.990 7.922 1.00 0.00 H new ATOM 830 N SER A 59 5.152 6.114 7.394 1.00 0.00 N ATOM 831 CA SER A 59 5.270 7.344 8.178 1.00 0.00 C ATOM 832 C SER A 59 5.641 8.573 7.330 1.00 0.00 C ATOM 833 O SER A 59 6.295 9.481 7.835 1.00 0.00 O ATOM 834 CB SER A 59 6.298 7.144 9.298 1.00 0.00 C ATOM 835 OG SER A 59 6.041 5.938 9.990 1.00 0.00 O ATOM 0 H SER A 59 5.955 5.491 7.482 1.00 0.00 H new ATOM 0 HA SER A 59 4.286 7.548 8.600 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.304 7.123 8.878 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.259 7.984 9.991 1.00 0.00 H new ATOM 0 HG SER A 59 6.622 5.230 9.641 1.00 0.00 H new ATOM 841 N ASP A 60 5.211 8.614 6.064 1.00 0.00 N ATOM 842 CA ASP A 60 5.452 9.698 5.113 1.00 0.00 C ATOM 843 C ASP A 60 4.108 10.194 4.540 1.00 0.00 C ATOM 844 O ASP A 60 4.075 10.911 3.546 1.00 0.00 O ATOM 845 CB ASP A 60 6.433 9.168 4.045 1.00 0.00 C ATOM 846 CG ASP A 60 6.848 10.196 2.996 1.00 0.00 C ATOM 847 OD1 ASP A 60 7.160 11.334 3.399 1.00 0.00 O ATOM 848 OD2 ASP A 60 6.891 9.817 1.800 1.00 0.00 O ATOM 0 H ASP A 60 4.661 7.857 5.659 1.00 0.00 H new ATOM 0 HA ASP A 60 5.909 10.569 5.584 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.328 8.797 4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.975 8.318 3.540 1.00 0.00 H new ATOM 853 N GLN A 61 2.982 9.791 5.155 1.00 0.00 N ATOM 854 CA GLN A 61 1.669 9.846 4.533 1.00 0.00 C ATOM 855 C GLN A 61 0.672 10.792 5.213 1.00 0.00 C ATOM 856 O GLN A 61 -0.182 11.353 4.543 1.00 0.00 O ATOM 857 CB GLN A 61 1.129 8.417 4.508 1.00 0.00 C ATOM 858 CG GLN A 61 0.405 8.028 5.805 1.00 0.00 C ATOM 859 CD GLN A 61 -0.068 6.595 5.767 1.00 0.00 C ATOM 860 OE1 GLN A 61 0.083 5.923 4.756 1.00 0.00 O ATOM 861 NE2 GLN A 61 -0.678 6.120 6.848 1.00 0.00 N ATOM 0 H GLN A 61 2.969 9.417 6.104 1.00 0.00 H new ATOM 0 HA GLN A 61 1.787 10.263 3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.443 8.308 3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.954 7.725 4.337 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.075 8.168 6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.447 8.690 5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.786 6.710 7.673 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.038 5.166 6.852 1.00 0.00 H new ATOM 870 N SER A 62 0.695 10.900 6.546 1.00 0.00 N ATOM 871 CA SER A 62 -0.283 11.668 7.322 1.00 0.00 C ATOM 872 C SER A 62 -1.745 11.510 6.849 1.00 0.00 C ATOM 873 O SER A 62 -2.368 12.491 6.449 1.00 0.00 O ATOM 874 CB SER A 62 0.141 13.141 7.334 1.00 0.00 C ATOM 875 OG SER A 62 1.474 13.245 7.800 1.00 0.00 O ATOM 0 H SER A 62 1.404 10.449 7.124 1.00 0.00 H new ATOM 0 HA SER A 62 -0.280 11.259 8.333 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.061 13.562 6.332 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.526 13.717 7.976 1.00 0.00 H new ATOM 0 HG SER A 62 1.746 14.187 7.806 1.00 0.00 H new ATOM 881 N PHE A 63 -2.309 10.298 6.950 1.00 0.00 N ATOM 882 CA PHE A 63 -3.742 10.053 6.766 1.00 0.00 C ATOM 883 C PHE A 63 -4.216 8.981 7.747 1.00 0.00 C ATOM 884 O PHE A 63 -4.910 9.336 8.694 1.00 0.00 O ATOM 885 CB PHE A 63 -4.102 9.727 5.304 1.00 0.00 C ATOM 886 CG PHE A 63 -5.486 9.153 5.026 1.00 0.00 C ATOM 887 CD1 PHE A 63 -6.584 9.388 5.879 1.00 0.00 C ATOM 888 CD2 PHE A 63 -5.673 8.360 3.878 1.00 0.00 C ATOM 889 CE1 PHE A 63 -7.794 8.702 5.674 1.00 0.00 C ATOM 890 CE2 PHE A 63 -6.907 7.751 3.620 1.00 0.00 C ATOM 891 CZ PHE A 63 -7.965 7.908 4.528 1.00 0.00 C ATOM 0 H PHE A 63 -1.777 9.455 7.164 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.279 10.975 6.991 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.995 10.641 4.720 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.364 9.020 4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.495 10.095 6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.854 8.220 3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.592 8.785 6.397 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.044 7.162 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.910 7.419 4.346 1.00 0.00 H new ATOM 901 N LEU A 64 -3.890 7.697 7.519 1.00 0.00 N ATOM 902 CA LEU A 64 -4.523 6.627 8.293 1.00 0.00 C ATOM 903 C LEU A 64 -4.422 6.862 9.784 1.00 0.00 C ATOM 904 O LEU A 64 -3.370 7.270 10.279 1.00 0.00 O ATOM 905 CB LEU A 64 -3.964 5.228 8.027 1.00 0.00 C ATOM 906 CG LEU A 64 -4.806 4.472 7.002 1.00 0.00 C ATOM 907 CD1 LEU A 64 -4.715 5.165 5.654 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.252 3.062 6.952 1.00 0.00 C ATOM 0 H LEU A 64 -3.211 7.385 6.825 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.558 6.661 7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.938 5.308 7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.933 4.665 8.960 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.862 4.449 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.317 4.623 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.086 6.186 5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.676 5.184 5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.820 2.473 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.205 3.093 6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.333 2.604 7.938 1.00 0.00 H new ATOM 920 N ASP A 65 -5.502 6.527 10.484 1.00 0.00 N ATOM 921 CA ASP A 65 -5.527 6.621 11.924 1.00 0.00 C ATOM 922 C ASP A 65 -4.916 5.366 12.536 1.00 0.00 C ATOM 923 O ASP A 65 -4.717 4.352 11.858 1.00 0.00 O ATOM 924 CB ASP A 65 -6.960 6.816 12.434 1.00 0.00 C ATOM 925 CG ASP A 65 -7.680 7.982 11.770 1.00 0.00 C ATOM 926 OD1 ASP A 65 -7.546 9.106 12.298 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.357 7.718 10.754 1.00 0.00 O ATOM 0 H ASP A 65 -6.369 6.188 10.068 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.939 7.488 12.224 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.528 5.901 12.262 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.936 6.978 13.512 1.00 0.00 H new ATOM 932 N ASP A 66 -4.675 5.432 13.848 1.00 0.00 N ATOM 933 CA ASP A 66 -4.165 4.320 14.635 1.00 0.00 C ATOM 934 C ASP A 66 -5.080 3.121 14.419 1.00 0.00 C ATOM 935 O ASP A 66 -4.614 2.009 14.185 1.00 0.00 O ATOM 936 CB ASP A 66 -4.127 4.686 16.128 1.00 0.00 C ATOM 937 CG ASP A 66 -3.079 5.736 16.481 1.00 0.00 C ATOM 938 OD1 ASP A 66 -1.990 5.696 15.870 1.00 0.00 O ATOM 939 OD2 ASP A 66 -3.387 6.557 17.370 1.00 0.00 O ATOM 0 H ASP A 66 -4.833 6.277 14.397 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.149 4.084 14.319 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.109 5.052 16.427 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.933 3.784 16.708 1.00 0.00 H new ATOM 944 N GLU A 67 -6.391 3.382 14.469 1.00 0.00 N ATOM 945 CA GLU A 67 -7.425 2.386 14.285 1.00 0.00 C ATOM 946 C GLU A 67 -7.180 1.635 12.987 1.00 0.00 C ATOM 947 O GLU A 67 -6.958 0.433 13.003 1.00 0.00 O ATOM 948 CB GLU A 67 -8.821 3.030 14.280 1.00 0.00 C ATOM 949 CG GLU A 67 -8.918 4.324 15.085 1.00 0.00 C ATOM 950 CD GLU A 67 -10.367 4.632 15.440 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.178 4.689 14.491 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.644 4.767 16.650 1.00 0.00 O ATOM 0 H GLU A 67 -6.760 4.317 14.643 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.388 1.686 15.120 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.111 3.234 13.249 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.540 2.314 14.677 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.326 4.236 15.996 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.497 5.148 14.510 1.00 0.00 H new ATOM 959 N GLN A 68 -7.219 2.343 11.858 1.00 0.00 N ATOM 960 CA GLN A 68 -7.028 1.753 10.550 1.00 0.00 C ATOM 961 C GLN A 68 -5.725 0.950 10.485 1.00 0.00 C ATOM 962 O GLN A 68 -5.731 -0.200 10.050 1.00 0.00 O ATOM 963 CB GLN A 68 -7.090 2.853 9.492 1.00 0.00 C ATOM 964 CG GLN A 68 -8.483 3.482 9.481 1.00 0.00 C ATOM 965 CD GLN A 68 -8.522 4.800 8.742 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.531 5.511 8.659 1.00 0.00 O ATOM 967 NE2 GLN A 68 -9.677 5.122 8.192 1.00 0.00 N ATOM 0 H GLN A 68 -7.386 3.349 11.835 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.828 1.040 10.351 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.339 3.614 9.701 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.860 2.439 8.510 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.186 2.790 9.018 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.816 3.636 10.507 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.478 4.498 8.287 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.769 5.995 7.672 1.00 0.00 H new ATOM 976 N MET A 69 -4.603 1.525 10.923 1.00 0.00 N ATOM 977 CA MET A 69 -3.357 0.777 10.943 1.00 0.00 C ATOM 978 C MET A 69 -3.505 -0.540 11.714 1.00 0.00 C ATOM 979 O MET A 69 -3.339 -1.614 11.133 1.00 0.00 O ATOM 980 CB MET A 69 -2.232 1.634 11.514 1.00 0.00 C ATOM 981 CG MET A 69 -1.922 2.832 10.619 1.00 0.00 C ATOM 982 SD MET A 69 -0.380 3.678 11.048 1.00 0.00 S ATOM 983 CE MET A 69 -0.759 5.329 10.438 1.00 0.00 C ATOM 0 H MET A 69 -4.536 2.485 11.261 1.00 0.00 H new ATOM 0 HA MET A 69 -3.100 0.518 9.916 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.511 1.985 12.508 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.335 1.026 11.631 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.866 2.496 9.583 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.746 3.543 10.680 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.162 5.907 10.357 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.229 5.256 9.457 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.439 5.825 11.130 1.00 0.00 H new ATOM 993 N ASP A 70 -3.848 -0.456 13.002 1.00 0.00 N ATOM 994 CA ASP A 70 -3.986 -1.606 13.893 1.00 0.00 C ATOM 995 C ASP A 70 -4.944 -2.639 13.298 1.00 0.00 C ATOM 996 O ASP A 70 -4.691 -3.842 13.294 1.00 0.00 O ATOM 997 CB ASP A 70 -4.513 -1.123 15.249 1.00 0.00 C ATOM 998 CG ASP A 70 -4.541 -2.267 16.251 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.465 -2.543 16.823 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -5.635 -2.843 16.425 1.00 0.00 O ATOM 0 H ASP A 70 -4.041 0.434 13.462 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.013 -2.080 14.020 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.881 -0.318 15.625 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.515 -0.712 15.130 1.00 0.00 H new ATOM 1005 N ALA A 71 -6.037 -2.123 12.739 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.119 -2.877 12.132 1.00 0.00 C ATOM 1007 C ALA A 71 -6.660 -3.667 10.907 1.00 0.00 C ATOM 1008 O ALA A 71 -7.347 -4.603 10.500 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.227 -1.904 11.736 1.00 0.00 C ATOM 0 H ALA A 71 -6.195 -1.116 12.698 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.482 -3.602 12.861 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.048 -2.455 11.278 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.589 -1.384 12.623 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.836 -1.177 11.024 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.533 -3.287 10.301 1.00 0.00 N ATOM 1016 CA GLY A 72 -4.939 -4.014 9.202 1.00 0.00 C ATOM 1017 C GLY A 72 -4.909 -3.182 7.937 1.00 0.00 C ATOM 1018 O GLY A 72 -5.008 -3.770 6.872 1.00 0.00 O ATOM 0 H GLY A 72 -5.009 -2.454 10.571 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.924 -4.311 9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.503 -4.930 9.023 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.797 -1.852 8.002 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.811 -1.008 6.811 1.00 0.00 C ATOM 1024 C TYR A 73 -3.519 -0.219 6.608 1.00 0.00 C ATOM 1025 O TYR A 73 -2.729 -0.032 7.531 1.00 0.00 O ATOM 1026 CB TYR A 73 -6.022 -0.092 6.837 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.320 -0.865 6.802 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.773 -1.388 5.580 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.173 -0.864 7.916 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -9.114 -1.769 5.442 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.518 -1.226 7.773 1.00 0.00 C ATOM 1032 CZ TYR A 73 -10.008 -1.599 6.515 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.292 -2.039 6.408 1.00 0.00 O ATOM 0 H TYR A 73 -4.695 -1.336 8.876 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.882 -1.674 5.951 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.991 0.524 7.736 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.981 0.586 5.985 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.090 -1.496 4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.791 -0.583 8.886 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.462 -2.193 4.512 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.175 -1.218 8.630 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.894 -1.271 6.315 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.316 0.254 5.378 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.206 1.093 4.981 1.00 0.00 C ATOM 1045 C VAL A 74 -2.745 2.027 3.899 1.00 0.00 C ATOM 1046 O VAL A 74 -3.552 1.587 3.079 1.00 0.00 O ATOM 1047 CB VAL A 74 -1.041 0.211 4.507 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -1.401 -0.706 3.338 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.194 1.039 4.138 1.00 0.00 C ATOM 0 H VAL A 74 -3.951 0.050 4.607 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.807 1.692 5.800 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.810 -0.422 5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.530 -1.298 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.212 -1.371 3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.718 -0.103 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.993 0.374 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.058 1.730 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.528 1.603 5.009 1.00 0.00 H new ATOM 1059 N LEU A 75 -2.342 3.299 3.891 1.00 0.00 N ATOM 1060 CA LEU A 75 -2.644 4.167 2.758 1.00 0.00 C ATOM 1061 C LEU A 75 -1.647 3.825 1.637 1.00 0.00 C ATOM 1062 O LEU A 75 -0.468 3.603 1.903 1.00 0.00 O ATOM 1063 CB LEU A 75 -2.691 5.646 3.201 1.00 0.00 C ATOM 1064 CG LEU A 75 -2.168 6.649 2.180 1.00 0.00 C ATOM 1065 CD1 LEU A 75 -3.155 6.701 1.035 1.00 0.00 C ATOM 1066 CD2 LEU A 75 -1.962 8.069 2.715 1.00 0.00 C ATOM 0 H LEU A 75 -1.815 3.743 4.643 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.642 3.997 2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.722 5.903 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.113 5.752 4.119 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.180 6.301 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.807 7.413 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.241 5.713 0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.129 7.015 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.588 8.708 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.911 8.462 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.240 8.049 3.531 1.00 0.00 H new ATOM 1078 N THR A 76 -2.117 3.720 0.390 1.00 0.00 N ATOM 1079 CA THR A 76 -1.298 3.371 -0.757 1.00 0.00 C ATOM 1080 C THR A 76 -0.176 4.395 -0.959 1.00 0.00 C ATOM 1081 O THR A 76 1.001 4.032 -0.992 1.00 0.00 O ATOM 1082 CB THR A 76 -2.199 3.262 -2.002 1.00 0.00 C ATOM 1083 OG1 THR A 76 -3.520 2.917 -1.627 1.00 0.00 O ATOM 1084 CG2 THR A 76 -1.668 2.201 -2.966 1.00 0.00 C ATOM 0 H THR A 76 -3.096 3.880 0.154 1.00 0.00 H new ATOM 0 HA THR A 76 -0.819 2.407 -0.585 1.00 0.00 H new ATOM 0 HB THR A 76 -2.198 4.233 -2.497 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.064 3.729 -1.561 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.320 2.142 -3.837 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.661 2.470 -3.284 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.644 1.233 -2.465 1.00 0.00 H new ATOM 1092 N CYS A 77 -0.546 5.670 -1.114 1.00 0.00 N ATOM 1093 CA CYS A 77 0.396 6.759 -1.307 1.00 0.00 C ATOM 1094 C CYS A 77 1.313 6.870 -0.084 1.00 0.00 C ATOM 1095 O CYS A 77 0.839 7.009 1.037 1.00 0.00 O ATOM 1096 CB CYS A 77 -0.319 8.054 -1.608 1.00 0.00 C ATOM 1097 SG CYS A 77 -1.440 8.070 -3.042 1.00 0.00 S ATOM 0 H CYS A 77 -1.521 5.971 -1.108 1.00 0.00 H new ATOM 0 HA CYS A 77 1.018 6.544 -2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.894 8.335 -0.726 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.433 8.828 -1.758 1.00 0.00 H new ATOM 1102 N HIS A 78 2.630 6.824 -0.294 1.00 0.00 N ATOM 1103 CA HIS A 78 3.635 6.999 0.749 1.00 0.00 C ATOM 1104 C HIS A 78 3.753 5.778 1.672 1.00 0.00 C ATOM 1105 O HIS A 78 3.432 5.846 2.857 1.00 0.00 O ATOM 1106 CB HIS A 78 3.455 8.321 1.513 1.00 0.00 C ATOM 1107 CG HIS A 78 3.516 9.543 0.634 1.00 0.00 C ATOM 1108 ND1 HIS A 78 4.624 10.328 0.435 1.00 0.00 N ATOM 1109 CD2 HIS A 78 2.491 10.087 -0.093 1.00 0.00 C ATOM 1110 CE1 HIS A 78 4.282 11.307 -0.417 1.00 0.00 C ATOM 1111 NE2 HIS A 78 2.995 11.191 -0.790 1.00 0.00 N ATOM 0 H HIS A 78 3.034 6.660 -1.216 1.00 0.00 H new ATOM 0 HA HIS A 78 4.598 7.072 0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.495 8.304 2.030 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.228 8.396 2.278 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.542 10.192 0.858 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.473 9.727 -0.123 1.00 0.00 H new ATOM 0 HE1 HIS A 78 4.951 12.084 -0.757 1.00 0.00 H new ATOM 1119 N ALA A 79 4.285 4.674 1.133 1.00 0.00 N ATOM 1120 CA ALA A 79 4.585 3.445 1.858 1.00 0.00 C ATOM 1121 C ALA A 79 5.904 2.857 1.347 1.00 0.00 C ATOM 1122 O ALA A 79 6.044 2.679 0.138 1.00 0.00 O ATOM 1123 CB ALA A 79 3.436 2.456 1.644 1.00 0.00 C ATOM 0 H ALA A 79 4.525 4.616 0.143 1.00 0.00 H new ATOM 0 HA ALA A 79 4.689 3.650 2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.647 1.531 2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.508 2.889 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.333 2.242 0.580 1.00 0.00 H new ATOM 1129 N TYR A 80 6.840 2.550 2.253 1.00 0.00 N ATOM 1130 CA TYR A 80 8.131 1.916 1.982 1.00 0.00 C ATOM 1131 C TYR A 80 8.136 0.508 2.590 1.00 0.00 C ATOM 1132 O TYR A 80 7.900 0.367 3.791 1.00 0.00 O ATOM 1133 CB TYR A 80 9.234 2.745 2.641 1.00 0.00 C ATOM 1134 CG TYR A 80 9.458 4.078 1.966 1.00 0.00 C ATOM 1135 CD1 TYR A 80 10.217 4.130 0.786 1.00 0.00 C ATOM 1136 CD2 TYR A 80 8.868 5.250 2.475 1.00 0.00 C ATOM 1137 CE1 TYR A 80 10.404 5.353 0.124 1.00 0.00 C ATOM 1138 CE2 TYR A 80 9.091 6.481 1.833 1.00 0.00 C ATOM 1139 CZ TYR A 80 9.879 6.534 0.671 1.00 0.00 C ATOM 1140 OH TYR A 80 10.136 7.729 0.072 1.00 0.00 O ATOM 0 H TYR A 80 6.708 2.748 3.245 1.00 0.00 H new ATOM 0 HA TYR A 80 8.298 1.855 0.907 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.978 2.913 3.687 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.164 2.177 2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.657 3.228 0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.246 5.204 3.356 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.952 5.385 -0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.657 7.385 2.233 1.00 0.00 H new ATOM 0 HH TYR A 80 9.315 8.073 -0.337 1.00 0.00 H new ATOM 1150 N PRO A 81 8.378 -0.542 1.794 1.00 0.00 N ATOM 1151 CA PRO A 81 8.359 -1.913 2.273 1.00 0.00 C ATOM 1152 C PRO A 81 9.612 -2.243 3.084 1.00 0.00 C ATOM 1153 O PRO A 81 10.713 -2.006 2.607 1.00 0.00 O ATOM 1154 CB PRO A 81 8.245 -2.791 1.026 1.00 0.00 C ATOM 1155 CG PRO A 81 8.629 -1.895 -0.152 1.00 0.00 C ATOM 1156 CD PRO A 81 8.598 -0.467 0.363 1.00 0.00 C ATOM 0 HA PRO A 81 7.523 -2.083 2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.908 -3.654 1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.232 -3.176 0.910 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.620 -2.151 -0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.932 -2.024 -0.980 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.535 0.044 0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.804 0.101 -0.121 1.00 0.00 H new ATOM 1164 N THR A 82 9.468 -2.810 4.289 1.00 0.00 N ATOM 1165 CA THR A 82 10.623 -3.121 5.137 1.00 0.00 C ATOM 1166 C THR A 82 10.970 -4.613 5.149 1.00 0.00 C ATOM 1167 O THR A 82 12.053 -4.987 5.596 1.00 0.00 O ATOM 1168 CB THR A 82 10.440 -2.524 6.540 1.00 0.00 C ATOM 1169 OG1 THR A 82 9.302 -3.029 7.210 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.341 -0.997 6.443 1.00 0.00 C ATOM 0 H THR A 82 8.567 -3.061 4.696 1.00 0.00 H new ATOM 0 HA THR A 82 11.497 -2.642 4.696 1.00 0.00 H new ATOM 0 HB THR A 82 11.313 -2.815 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.731 -3.505 6.571 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.211 -0.577 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.254 -0.601 5.998 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.487 -0.726 5.821 1.00 0.00 H new ATOM 1178 N SER A 83 10.085 -5.471 4.635 1.00 0.00 N ATOM 1179 CA SER A 83 10.330 -6.889 4.402 1.00 0.00 C ATOM 1180 C SER A 83 9.345 -7.342 3.328 1.00 0.00 C ATOM 1181 O SER A 83 8.609 -6.513 2.788 1.00 0.00 O ATOM 1182 CB SER A 83 10.147 -7.693 5.701 1.00 0.00 C ATOM 1183 OG SER A 83 11.061 -7.285 6.702 1.00 0.00 O ATOM 0 H SER A 83 9.146 -5.183 4.361 1.00 0.00 H new ATOM 0 HA SER A 83 11.355 -7.058 4.072 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.128 -7.568 6.066 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.283 -8.755 5.494 1.00 0.00 H new ATOM 0 HG SER A 83 11.601 -6.538 6.368 1.00 0.00 H new ATOM 1189 N ASP A 84 9.318 -8.640 3.026 1.00 0.00 N ATOM 1190 CA ASP A 84 8.245 -9.249 2.264 1.00 0.00 C ATOM 1191 C ASP A 84 6.934 -8.997 3.008 1.00 0.00 C ATOM 1192 O ASP A 84 6.845 -9.210 4.217 1.00 0.00 O ATOM 1193 CB ASP A 84 8.526 -10.747 2.076 1.00 0.00 C ATOM 1194 CG ASP A 84 8.789 -11.467 3.395 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.740 -11.025 4.082 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.062 -12.443 3.672 1.00 0.00 O ATOM 0 H ASP A 84 10.047 -9.296 3.308 1.00 0.00 H new ATOM 0 HA ASP A 84 8.172 -8.812 1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.676 -11.212 1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.388 -10.871 1.421 1.00 0.00 H new ATOM 1201 N VAL A 85 5.943 -8.456 2.297 1.00 0.00 N ATOM 1202 CA VAL A 85 4.673 -8.023 2.876 1.00 0.00 C ATOM 1203 C VAL A 85 3.524 -8.482 1.987 1.00 0.00 C ATOM 1204 O VAL A 85 3.685 -8.675 0.781 1.00 0.00 O ATOM 1205 CB VAL A 85 4.681 -6.489 3.091 1.00 0.00 C ATOM 1206 CG1 VAL A 85 3.318 -5.817 3.333 1.00 0.00 C ATOM 1207 CG2 VAL A 85 5.692 -6.024 4.136 1.00 0.00 C ATOM 0 H VAL A 85 6.002 -8.305 1.290 1.00 0.00 H new ATOM 0 HA VAL A 85 4.533 -8.480 3.855 1.00 0.00 H new ATOM 0 HB VAL A 85 5.000 -6.141 2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.460 -4.745 3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.669 -5.992 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.858 -6.238 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.642 -4.940 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.461 -6.486 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.696 -6.314 3.826 1.00 0.00 H new ATOM 1217 N VAL A 86 2.357 -8.654 2.606 1.00 0.00 N ATOM 1218 CA VAL A 86 1.131 -9.014 1.932 1.00 0.00 C ATOM 1219 C VAL A 86 0.091 -7.973 2.308 1.00 0.00 C ATOM 1220 O VAL A 86 -0.196 -7.788 3.490 1.00 0.00 O ATOM 1221 CB VAL A 86 0.694 -10.428 2.345 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.488 -10.863 1.473 1.00 0.00 C ATOM 1223 CG2 VAL A 86 1.848 -11.427 2.168 1.00 0.00 C ATOM 0 H VAL A 86 2.245 -8.542 3.614 1.00 0.00 H new ATOM 0 HA VAL A 86 1.264 -9.030 0.850 1.00 0.00 H new ATOM 0 HB VAL A 86 0.403 -10.413 3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.803 -11.866 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.317 -10.169 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.186 -10.864 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.517 -12.422 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.156 -11.445 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.690 -11.124 2.789 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.463 -7.287 1.312 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.508 -6.302 1.478 1.00 0.00 C ATOM 1235 C ILE A 87 -2.552 -6.534 0.386 1.00 0.00 C ATOM 1236 O ILE A 87 -2.202 -7.032 -0.677 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.875 -4.895 1.475 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.873 -3.751 1.272 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.316 -4.749 0.527 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -2.014 -3.441 -0.211 1.00 0.00 C ATOM 0 H ILE A 87 -0.182 -7.411 0.339 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.025 -6.393 2.433 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.492 -4.801 2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.842 -4.025 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.535 -2.863 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.704 -3.732 0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.098 -5.452 0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.004 -4.959 -0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.725 -2.626 -0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.045 -3.147 -0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.373 -4.327 -0.735 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.813 -6.167 0.622 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.856 -6.108 -0.394 1.00 0.00 C ATOM 1254 C GLU A 88 -5.058 -4.661 -0.824 1.00 0.00 C ATOM 1255 O GLU A 88 -5.225 -3.818 0.046 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.188 -6.592 0.171 1.00 0.00 C ATOM 1257 CG GLU A 88 -6.212 -7.868 1.005 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.597 -8.053 1.623 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.589 -7.730 0.925 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.652 -8.428 2.811 1.00 0.00 O ATOM 0 H GLU A 88 -4.141 -5.897 1.549 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.548 -6.738 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.598 -5.789 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.870 -6.733 -0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.964 -8.727 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.457 -7.815 1.790 1.00 0.00 H new ATOM 1267 N THR A 89 -5.089 -4.346 -2.116 1.00 0.00 N ATOM 1268 CA THR A 89 -5.279 -2.960 -2.563 1.00 0.00 C ATOM 1269 C THR A 89 -6.783 -2.669 -2.703 1.00 0.00 C ATOM 1270 O THR A 89 -7.601 -3.563 -2.495 1.00 0.00 O ATOM 1271 CB THR A 89 -4.473 -2.708 -3.852 1.00 0.00 C ATOM 1272 OG1 THR A 89 -5.057 -3.414 -4.915 1.00 0.00 O ATOM 1273 CG2 THR A 89 -3.019 -3.149 -3.686 1.00 0.00 C ATOM 0 H THR A 89 -4.986 -5.024 -2.871 1.00 0.00 H new ATOM 0 HA THR A 89 -4.893 -2.259 -1.823 1.00 0.00 H new ATOM 0 HB THR A 89 -4.487 -1.639 -4.062 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.912 -2.999 -5.153 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.474 -2.960 -4.611 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.559 -2.588 -2.872 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.986 -4.214 -3.457 1.00 0.00 H new ATOM 1281 N HIS A 90 -7.149 -1.429 -3.054 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.524 -1.010 -3.343 1.00 0.00 C ATOM 1283 C HIS A 90 -9.389 -1.011 -2.075 1.00 0.00 C ATOM 1284 O HIS A 90 -10.442 -1.643 -2.043 1.00 0.00 O ATOM 1285 CB HIS A 90 -9.166 -1.848 -4.471 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.436 -1.852 -5.791 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -7.085 -2.012 -5.973 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -9.012 -1.869 -7.035 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.844 -2.116 -7.284 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -7.991 -2.033 -7.977 1.00 0.00 N ATOM 0 H HIS A 90 -6.476 -0.669 -3.147 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.473 0.017 -3.706 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.256 -2.878 -4.125 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.178 -1.479 -4.639 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.066 -1.773 -7.249 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.866 -2.248 -7.723 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.097 -2.080 -8.990 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.945 -0.302 -1.029 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.588 -0.304 0.287 1.00 0.00 C ATOM 1300 C LYS A 91 -9.943 1.094 0.775 1.00 0.00 C ATOM 1301 O LYS A 91 -10.140 1.302 1.972 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.680 -1.034 1.280 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.321 -2.419 0.743 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.546 -3.309 0.735 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.304 -4.646 0.051 1.00 0.00 C ATOM 1306 NZ LYS A 91 -10.081 -5.693 0.739 1.00 0.00 N ATOM 0 H LYS A 91 -8.119 0.295 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.539 -0.831 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.772 -0.454 1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.182 -1.128 2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.918 -2.333 -0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.542 -2.866 1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.867 -3.485 1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.361 -2.791 0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.597 -4.589 -0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.242 -4.892 0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.432 -6.337 1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.725 -5.252 1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.635 -6.229 0.041 1.00 0.00 H new ATOM 1320 N GLU A 92 -10.068 2.025 -0.170 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.578 3.367 0.041 1.00 0.00 C ATOM 1322 C GLU A 92 -11.848 3.287 0.892 1.00 0.00 C ATOM 1323 O GLU A 92 -11.808 3.536 2.099 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.786 3.971 -1.357 1.00 0.00 C ATOM 1325 CG GLU A 92 -11.348 5.395 -1.353 1.00 0.00 C ATOM 1326 CD GLU A 92 -12.861 5.441 -1.487 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -13.380 4.598 -2.251 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -13.450 6.324 -0.831 1.00 0.00 O ATOM 0 H GLU A 92 -9.805 1.852 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.898 4.015 0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.832 3.971 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.462 3.328 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.056 5.891 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.900 5.958 -2.172 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.949 2.814 0.305 1.00 0.00 N ATOM 1336 CA GLU A 93 -14.219 2.705 1.009 1.00 0.00 C ATOM 1337 C GLU A 93 -14.283 1.431 1.886 1.00 0.00 C ATOM 1338 O GLU A 93 -15.329 0.796 2.000 1.00 0.00 O ATOM 1339 CB GLU A 93 -15.378 2.811 -0.012 1.00 0.00 C ATOM 1340 CG GLU A 93 -16.454 3.808 0.434 1.00 0.00 C ATOM 1341 CD GLU A 93 -17.713 3.704 -0.425 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -18.546 2.829 -0.105 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -17.827 4.491 -1.390 1.00 0.00 O ATOM 0 H GLU A 93 -12.981 2.499 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.319 3.533 1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.980 3.117 -0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.830 1.829 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -16.710 3.625 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -16.057 4.822 0.376 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.161 1.057 2.518 1.00 0.00 N ATOM 1351 CA GLU A 94 -13.089 0.109 3.625 1.00 0.00 C ATOM 1352 C GLU A 94 -12.447 0.763 4.857 1.00 0.00 C ATOM 1353 O GLU A 94 -12.710 0.308 5.972 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.279 -1.156 3.277 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.930 -2.235 2.394 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.252 -3.611 2.554 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -11.776 -3.925 3.676 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -12.155 -4.345 1.543 1.00 0.00 O ATOM 0 H GLU A 94 -12.246 1.425 2.257 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.118 -0.185 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.362 -0.835 2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.987 -1.629 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.986 -2.321 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.878 -1.926 1.350 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.545 1.742 4.687 1.00 0.00 N ATOM 1366 CA ILE A 95 -10.933 2.434 5.806 1.00 0.00 C ATOM 1367 C ILE A 95 -11.801 3.576 6.337 1.00 0.00 C ATOM 1368 O ILE A 95 -11.917 3.712 7.556 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.487 2.848 5.479 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.400 3.880 4.361 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -8.681 1.599 5.130 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.057 4.581 4.323 1.00 0.00 C ATOM 0 H ILE A 95 -11.229 2.066 3.773 1.00 0.00 H new ATOM 0 HA ILE A 95 -10.868 1.731 6.637 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.069 3.331 6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.578 3.390 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.189 4.620 4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.655 1.882 4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.685 0.915 5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.127 1.108 4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.048 5.306 3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.888 5.096 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.268 3.846 4.164 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.356 4.409 5.453 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.122 5.580 5.866 1.00 0.00 C ATOM 1386 C VAL A 96 -14.564 5.172 6.181 1.00 0.00 C ATOM 1387 O VAL A 96 -15.246 5.974 6.856 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.042 6.718 4.827 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -11.602 7.193 4.582 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -13.684 6.354 3.483 1.00 0.00 C ATOM 1391 OXT VAL A 96 -14.963 4.070 5.742 1.00 0.00 O ATOM 0 H VAL A 96 -12.287 4.290 4.442 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.679 5.982 6.777 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.614 7.533 5.271 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.604 7.994 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.177 7.562 5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.002 6.361 4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.594 7.196 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.177 5.486 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.738 6.120 3.635 1.00 0.00 H new TER 1401 VAL A 96 HETATM 1402 FE1 FES A 97 -4.621 10.620 -1.785 1.00 0.00 FE HETATM 1403 FE2 FES A 97 -3.596 8.220 -2.111 1.00 0.00 FE HETATM 1404 S1 FES A 97 -5.122 9.204 -3.315 1.00 0.00 S HETATM 1405 S2 FES A 97 -3.264 9.636 -0.417 1.00 0.00 S