USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 583 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 Single : A 3 THR OG1 : rot 76:sc= 1.26 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 16 ASN : amide:sc= 1.18 K(o=1.2,f=-0.079) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= 2.46 (180deg=2.05) USER MOD Single : A 31 SER OG : rot -114:sc= 1.25 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00467 USER MOD Single : A 40 SER OG : rot -173:sc= -2.61! USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -128:sc=-0.00651 (180deg=-0.214) USER MOD Single : A 57 LYS NZ :NH3+ 138:sc= 1.23 (180deg=0.645) USER MOD Single : A 64 LYS NZ :NH3+ -147:sc= 0.479 (180deg=0.0843) USER MOD Single : A 65 ASN : amide:sc=-0.00211 K(o=-0.0021,f=-0.81) USER MOD Single : A 67 LYS NZ :NH3+ 141:sc= 1.23 (180deg=0.327) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.23 USER MOD Single : A 73 THR OG1 : rot -94:sc= 1.29 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ALA A 2 8.558 8.806 -3.384 1.00 1.12 N ATOM 14 CA ALA A 2 7.474 9.557 -2.793 1.00 0.91 C ATOM 15 C ALA A 2 7.685 9.587 -1.285 1.00 0.87 C ATOM 16 O ALA A 2 8.387 8.723 -0.761 1.00 1.07 O ATOM 17 CB ALA A 2 6.162 8.871 -3.145 1.00 0.92 C ATOM 0 HA ALA A 2 7.445 10.580 -3.169 1.00 0.91 H new ATOM 0 HB1 ALA A 2 5.332 9.425 -2.706 1.00 0.92 H new ATOM 0 HB2 ALA A 2 6.046 8.841 -4.228 1.00 0.92 H new ATOM 0 HB3 ALA A 2 6.166 7.854 -2.753 1.00 0.92 H new ATOM 23 N THR A 3 7.143 10.570 -0.592 1.00 0.76 N ATOM 24 CA THR A 3 7.276 10.612 0.853 1.00 0.76 C ATOM 25 C THR A 3 6.038 9.935 1.486 1.00 0.56 C ATOM 26 O THR A 3 5.257 9.368 0.762 1.00 0.48 O ATOM 27 CB THR A 3 7.506 12.064 1.360 1.00 0.97 C ATOM 28 OG1 THR A 3 8.252 12.774 0.354 1.00 1.45 O ATOM 29 CG2 THR A 3 8.345 12.088 2.639 1.00 1.57 C ATOM 0 H THR A 3 6.613 11.341 -0.998 1.00 0.76 H new ATOM 0 HA THR A 3 8.161 10.056 1.162 1.00 0.76 H new ATOM 0 HB THR A 3 6.533 12.514 1.560 1.00 0.97 H new ATOM 0 HG1 THR A 3 7.657 13.013 -0.387 1.00 1.45 H new ATOM 0 HG21 THR A 3 8.485 13.119 2.963 1.00 1.57 H new ATOM 0 HG22 THR A 3 7.832 11.528 3.421 1.00 1.57 H new ATOM 0 HG23 THR A 3 9.317 11.634 2.445 1.00 1.57 H new ATOM 37 N GLN A 4 5.824 10.045 2.798 1.00 0.58 N ATOM 38 CA GLN A 4 4.786 9.256 3.482 1.00 0.52 C ATOM 39 C GLN A 4 3.381 9.479 2.932 1.00 0.49 C ATOM 40 O GLN A 4 2.657 8.520 2.690 1.00 0.51 O ATOM 41 CB GLN A 4 4.817 9.450 5.002 1.00 0.65 C ATOM 42 CG GLN A 4 4.493 10.851 5.487 1.00 1.14 C ATOM 43 CD GLN A 4 4.502 10.954 6.992 1.00 1.21 C ATOM 44 OE1 GLN A 4 5.246 10.243 7.670 1.00 1.64 O ATOM 45 NE2 GLN A 4 3.658 11.784 7.533 1.00 1.76 N ATOM 0 H GLN A 4 6.350 10.668 3.410 1.00 0.58 H new ATOM 0 HA GLN A 4 5.038 8.217 3.268 1.00 0.52 H new ATOM 0 HB2 GLN A 4 4.110 8.755 5.454 1.00 0.65 H new ATOM 0 HB3 GLN A 4 5.808 9.178 5.366 1.00 0.65 H new ATOM 0 HG2 GLN A 4 5.217 11.553 5.073 1.00 1.14 H new ATOM 0 HG3 GLN A 4 3.513 11.145 5.111 1.00 1.14 H new ATOM 0 HE21 GLN A 4 3.057 12.358 6.942 1.00 1.76 H new ATOM 0 HE22 GLN A 4 3.598 11.861 8.548 1.00 1.76 H new ATOM 54 N GLU A 5 3.034 10.719 2.670 1.00 0.53 N ATOM 55 CA GLU A 5 1.721 11.054 2.186 1.00 0.58 C ATOM 56 C GLU A 5 1.603 10.652 0.732 1.00 0.53 C ATOM 57 O GLU A 5 0.575 10.168 0.280 1.00 0.60 O ATOM 58 CB GLU A 5 1.408 12.567 2.354 1.00 0.72 C ATOM 59 CG GLU A 5 2.295 13.557 1.557 1.00 1.48 C ATOM 60 CD GLU A 5 3.679 13.793 2.138 1.00 2.18 C ATOM 61 OE1 GLU A 5 4.482 12.861 2.248 1.00 3.05 O ATOM 62 OE2 GLU A 5 3.998 14.951 2.475 1.00 2.49 O ATOM 0 H GLU A 5 3.655 11.520 2.787 1.00 0.53 H new ATOM 0 HA GLU A 5 0.991 10.506 2.782 1.00 0.58 H new ATOM 0 HB2 GLU A 5 0.370 12.733 2.066 1.00 0.72 H new ATOM 0 HB3 GLU A 5 1.489 12.815 3.412 1.00 0.72 H new ATOM 0 HG2 GLU A 5 2.404 13.184 0.539 1.00 1.48 H new ATOM 0 HG3 GLU A 5 1.777 14.514 1.492 1.00 1.48 H new ATOM 69 N GLU A 6 2.698 10.792 0.036 1.00 0.50 N ATOM 70 CA GLU A 6 2.765 10.524 -1.368 1.00 0.50 C ATOM 71 C GLU A 6 2.762 9.027 -1.627 1.00 0.42 C ATOM 72 O GLU A 6 2.236 8.580 -2.643 1.00 0.43 O ATOM 73 CB GLU A 6 3.994 11.174 -1.935 1.00 0.59 C ATOM 74 CG GLU A 6 4.026 12.660 -1.734 1.00 1.06 C ATOM 75 CD GLU A 6 5.343 13.240 -2.105 1.00 1.75 C ATOM 76 OE1 GLU A 6 6.292 13.073 -1.338 1.00 2.53 O ATOM 77 OE2 GLU A 6 5.449 13.888 -3.152 1.00 2.16 O ATOM 0 H GLU A 6 3.582 11.101 0.439 1.00 0.50 H new ATOM 0 HA GLU A 6 1.887 10.940 -1.862 1.00 0.50 H new ATOM 0 HB2 GLU A 6 4.876 10.733 -1.472 1.00 0.59 H new ATOM 0 HB3 GLU A 6 4.052 10.957 -3.002 1.00 0.59 H new ATOM 0 HG2 GLU A 6 3.243 13.125 -2.333 1.00 1.06 H new ATOM 0 HG3 GLU A 6 3.808 12.890 -0.691 1.00 1.06 H new ATOM 84 N ILE A 7 3.348 8.257 -0.704 1.00 0.36 N ATOM 85 CA ILE A 7 3.312 6.811 -0.782 1.00 0.33 C ATOM 86 C ILE A 7 1.846 6.392 -0.722 1.00 0.30 C ATOM 87 O ILE A 7 1.348 5.707 -1.601 1.00 0.30 O ATOM 88 CB ILE A 7 4.071 6.114 0.399 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.579 6.430 0.390 1.00 0.40 C ATOM 90 CG2 ILE A 7 3.857 4.599 0.351 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.326 5.948 -0.838 1.00 0.45 C ATOM 0 H ILE A 7 3.852 8.622 0.104 1.00 0.36 H new ATOM 0 HA ILE A 7 3.805 6.507 -1.705 1.00 0.33 H new ATOM 0 HB ILE A 7 3.656 6.512 1.325 1.00 0.36 H new ATOM 0 HG12 ILE A 7 5.710 7.509 0.476 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.034 5.982 1.273 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.391 4.130 1.178 1.00 0.40 H new ATOM 0 HG22 ILE A 7 2.793 4.379 0.435 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.235 4.208 -0.593 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.379 6.217 -0.752 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.233 4.865 -0.918 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.904 6.415 -1.728 1.00 0.45 H new ATOM 103 N VAL A 8 1.168 6.849 0.330 1.00 0.31 N ATOM 104 CA VAL A 8 -0.256 6.586 0.548 1.00 0.35 C ATOM 105 C VAL A 8 -1.079 7.005 -0.686 1.00 0.34 C ATOM 106 O VAL A 8 -1.909 6.232 -1.188 1.00 0.36 O ATOM 107 CB VAL A 8 -0.757 7.341 1.811 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.236 7.135 2.011 1.00 0.57 C ATOM 109 CG2 VAL A 8 -0.013 6.860 3.041 1.00 0.49 C ATOM 0 H VAL A 8 1.594 7.417 1.062 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.389 5.515 0.704 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.566 8.404 1.662 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.561 7.674 2.901 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.776 7.510 1.142 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.442 6.072 2.135 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.374 7.397 3.918 1.00 0.49 H new ATOM 0 HG22 VAL A 8 -0.183 5.792 3.175 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.054 7.045 2.916 1.00 0.49 H new ATOM 119 N ALA A 9 -0.834 8.212 -1.170 1.00 0.37 N ATOM 120 CA ALA A 9 -1.498 8.721 -2.355 1.00 0.41 C ATOM 121 C ALA A 9 -1.256 7.811 -3.567 1.00 0.37 C ATOM 122 O ALA A 9 -2.188 7.507 -4.309 1.00 0.43 O ATOM 123 CB ALA A 9 -1.036 10.135 -2.653 1.00 0.48 C ATOM 0 H ALA A 9 -0.170 8.864 -0.752 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.570 8.735 -2.158 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -1.543 10.503 -3.545 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -1.273 10.781 -1.808 1.00 0.48 H new ATOM 0 HB3 ALA A 9 0.041 10.138 -2.821 1.00 0.48 H new ATOM 129 N GLY A 10 -0.026 7.351 -3.729 1.00 0.33 N ATOM 130 CA GLY A 10 0.312 6.480 -4.838 1.00 0.34 C ATOM 131 C GLY A 10 -0.400 5.151 -4.716 1.00 0.31 C ATOM 132 O GLY A 10 -0.913 4.624 -5.692 1.00 0.37 O ATOM 0 H GLY A 10 0.753 7.567 -3.106 1.00 0.33 H new ATOM 0 HA2 GLY A 10 0.039 6.959 -5.778 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.390 6.319 -4.864 1.00 0.34 H new ATOM 136 N LEU A 11 -0.445 4.633 -3.492 1.00 0.26 N ATOM 137 CA LEU A 11 -1.138 3.388 -3.174 1.00 0.25 C ATOM 138 C LEU A 11 -2.597 3.475 -3.592 1.00 0.23 C ATOM 139 O LEU A 11 -3.116 2.597 -4.295 1.00 0.24 O ATOM 140 CB LEU A 11 -1.079 3.120 -1.658 1.00 0.28 C ATOM 141 CG LEU A 11 0.292 2.828 -1.039 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.181 2.803 0.472 1.00 0.33 C ATOM 143 CD2 LEU A 11 0.829 1.494 -1.528 1.00 0.32 C ATOM 0 H LEU A 11 0.002 5.069 -2.686 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.647 2.579 -3.714 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.500 3.986 -1.148 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.732 2.274 -1.441 1.00 0.28 H new ATOM 0 HG LEU A 11 0.980 3.617 -1.343 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.159 2.595 0.905 1.00 0.33 H new ATOM 0 HD12 LEU A 11 -0.175 3.770 0.827 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.522 2.026 0.772 1.00 0.33 H new ATOM 0 HD21 LEU A 11 1.803 1.306 -1.076 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.139 0.699 -1.246 1.00 0.32 H new ATOM 0 HD23 LEU A 11 0.931 1.518 -2.613 1.00 0.32 H new ATOM 155 N ALA A 12 -3.234 4.568 -3.197 1.00 0.23 N ATOM 156 CA ALA A 12 -4.646 4.794 -3.444 1.00 0.23 C ATOM 157 C ALA A 12 -4.996 4.834 -4.918 1.00 0.21 C ATOM 158 O ALA A 12 -6.109 4.487 -5.285 1.00 0.24 O ATOM 159 CB ALA A 12 -5.123 6.039 -2.753 1.00 0.28 C ATOM 0 H ALA A 12 -2.779 5.328 -2.692 1.00 0.23 H new ATOM 0 HA ALA A 12 -5.168 3.934 -3.023 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.184 6.184 -2.955 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -4.969 5.941 -1.678 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.563 6.898 -3.123 1.00 0.28 H new ATOM 165 N GLU A 13 -4.051 5.235 -5.759 1.00 0.24 N ATOM 166 CA GLU A 13 -4.274 5.252 -7.200 1.00 0.29 C ATOM 167 C GLU A 13 -4.615 3.855 -7.679 1.00 0.28 C ATOM 168 O GLU A 13 -5.589 3.653 -8.414 1.00 0.37 O ATOM 169 CB GLU A 13 -3.049 5.778 -7.945 1.00 0.42 C ATOM 170 CG GLU A 13 -2.686 7.215 -7.622 1.00 0.94 C ATOM 171 CD GLU A 13 -3.746 8.204 -8.047 1.00 1.53 C ATOM 172 OE1 GLU A 13 -3.771 8.596 -9.209 1.00 1.55 O ATOM 173 OE2 GLU A 13 -4.559 8.627 -7.211 1.00 2.48 O ATOM 0 H GLU A 13 -3.126 5.552 -5.470 1.00 0.24 H new ATOM 0 HA GLU A 13 -5.106 5.924 -7.410 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -2.196 5.140 -7.713 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -3.227 5.694 -9.017 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -2.519 7.309 -6.549 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -1.746 7.465 -8.114 1.00 0.94 H new ATOM 180 N ILE A 14 -3.858 2.890 -7.214 1.00 0.24 N ATOM 181 CA ILE A 14 -4.100 1.527 -7.586 1.00 0.28 C ATOM 182 C ILE A 14 -5.336 0.993 -6.839 1.00 0.25 C ATOM 183 O ILE A 14 -6.197 0.359 -7.437 1.00 0.32 O ATOM 184 CB ILE A 14 -2.863 0.571 -7.372 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.627 0.979 -8.217 1.00 0.43 C ATOM 186 CG2 ILE A 14 -3.243 -0.846 -7.729 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.860 2.185 -7.724 1.00 0.44 C ATOM 0 H ILE A 14 -3.072 3.028 -6.579 1.00 0.24 H new ATOM 0 HA ILE A 14 -4.283 1.529 -8.661 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.589 0.651 -6.320 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.944 0.131 -8.260 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.957 1.174 -9.237 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -2.385 -1.501 -7.579 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -4.065 -1.173 -7.093 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -3.553 -0.887 -8.773 1.00 0.42 H new ATOM 0 HD11 ILE A 14 -0.019 2.378 -8.390 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.518 3.054 -7.710 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.489 1.994 -6.717 1.00 0.44 H new ATOM 199 N VAL A 15 -5.459 1.310 -5.550 1.00 0.22 N ATOM 200 CA VAL A 15 -6.601 0.815 -4.751 1.00 0.22 C ATOM 201 C VAL A 15 -7.952 1.352 -5.306 1.00 0.22 C ATOM 202 O VAL A 15 -9.008 0.717 -5.188 1.00 0.25 O ATOM 203 CB VAL A 15 -6.465 1.133 -3.225 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.560 0.436 -2.425 1.00 0.30 C ATOM 205 CG2 VAL A 15 -5.106 0.719 -2.696 1.00 0.34 C ATOM 0 H VAL A 15 -4.800 1.895 -5.036 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.590 -0.271 -4.847 1.00 0.22 H new ATOM 0 HB VAL A 15 -6.571 2.211 -3.108 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.444 0.672 -1.367 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.536 0.779 -2.769 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.484 -0.642 -2.566 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -5.043 0.953 -1.633 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -4.970 -0.353 -2.840 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.326 1.259 -3.234 1.00 0.34 H new ATOM 215 N ASN A 16 -7.902 2.503 -5.950 1.00 0.24 N ATOM 216 CA ASN A 16 -9.078 3.087 -6.585 1.00 0.30 C ATOM 217 C ASN A 16 -9.502 2.282 -7.802 1.00 0.34 C ATOM 218 O ASN A 16 -10.684 2.065 -8.018 1.00 0.43 O ATOM 219 CB ASN A 16 -8.849 4.564 -6.958 1.00 0.37 C ATOM 220 CG ASN A 16 -9.988 5.164 -7.782 1.00 0.50 C ATOM 221 OD1 ASN A 16 -9.962 5.116 -9.013 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.971 5.728 -7.128 1.00 0.48 N ATOM 0 H ASN A 16 -7.053 3.060 -6.050 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.888 3.053 -5.857 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.724 5.147 -6.045 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.919 4.649 -7.520 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.749 6.146 -7.638 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.959 5.749 -6.108 1.00 0.48 H new ATOM 229 N GLU A 17 -8.551 1.807 -8.576 1.00 0.37 N ATOM 230 CA GLU A 17 -8.901 1.036 -9.749 1.00 0.48 C ATOM 231 C GLU A 17 -9.226 -0.415 -9.390 1.00 0.47 C ATOM 232 O GLU A 17 -10.005 -1.064 -10.073 1.00 0.60 O ATOM 233 CB GLU A 17 -7.842 1.145 -10.867 1.00 0.63 C ATOM 234 CG GLU A 17 -6.433 0.745 -10.469 1.00 1.05 C ATOM 235 CD GLU A 17 -5.446 0.887 -11.599 1.00 1.51 C ATOM 236 OE1 GLU A 17 -5.014 2.020 -11.891 1.00 1.70 O ATOM 237 OE2 GLU A 17 -5.071 -0.129 -12.210 1.00 2.11 O ATOM 0 H GLU A 17 -7.551 1.936 -8.421 1.00 0.37 H new ATOM 0 HA GLU A 17 -9.811 1.475 -10.158 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -8.156 0.521 -11.704 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -7.822 2.174 -11.226 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -6.109 1.360 -9.630 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -6.437 -0.289 -10.124 1.00 1.05 H new ATOM 244 N ILE A 18 -8.657 -0.912 -8.303 1.00 0.39 N ATOM 245 CA ILE A 18 -8.916 -2.290 -7.891 1.00 0.43 C ATOM 246 C ILE A 18 -10.239 -2.394 -7.138 1.00 0.44 C ATOM 247 O ILE A 18 -11.144 -3.143 -7.546 1.00 0.53 O ATOM 248 CB ILE A 18 -7.772 -2.794 -6.966 1.00 0.44 C ATOM 249 CG1 ILE A 18 -6.436 -2.768 -7.703 1.00 0.52 C ATOM 250 CG2 ILE A 18 -8.063 -4.194 -6.428 1.00 0.50 C ATOM 251 CD1 ILE A 18 -6.410 -3.608 -8.953 1.00 0.71 C ATOM 0 H ILE A 18 -8.022 -0.394 -7.696 1.00 0.39 H new ATOM 0 HA ILE A 18 -8.967 -2.904 -8.790 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.712 -2.118 -6.113 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -6.197 -1.737 -7.965 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -5.653 -3.115 -7.028 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -7.243 -4.515 -5.786 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -8.989 -4.178 -5.853 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -8.165 -4.890 -7.261 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -5.427 -3.537 -9.419 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -6.616 -4.647 -8.697 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -7.168 -3.248 -9.649 1.00 0.71 H new ATOM 263 N ALA A 19 -10.387 -1.621 -6.100 1.00 0.40 N ATOM 264 CA ALA A 19 -11.578 -1.685 -5.295 1.00 0.46 C ATOM 265 C ALA A 19 -12.484 -0.518 -5.571 1.00 0.45 C ATOM 266 O ALA A 19 -13.655 -0.690 -5.914 1.00 0.68 O ATOM 267 CB ALA A 19 -11.219 -1.758 -3.830 1.00 0.52 C ATOM 0 H ALA A 19 -9.697 -0.937 -5.789 1.00 0.40 H new ATOM 0 HA ALA A 19 -12.121 -2.592 -5.561 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -12.130 -1.806 -3.234 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -10.618 -2.649 -3.647 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.649 -0.872 -3.551 1.00 0.52 H new ATOM 273 N GLY A 20 -11.945 0.660 -5.460 1.00 0.44 N ATOM 274 CA GLY A 20 -12.744 1.831 -5.675 1.00 0.46 C ATOM 275 C GLY A 20 -12.904 2.640 -4.420 1.00 0.52 C ATOM 276 O GLY A 20 -13.967 2.650 -3.792 1.00 0.93 O ATOM 0 H GLY A 20 -10.968 0.836 -5.225 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -12.284 2.447 -6.448 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.726 1.537 -6.045 1.00 0.46 H new ATOM 280 N ILE A 21 -11.848 3.277 -4.029 1.00 0.38 N ATOM 281 CA ILE A 21 -11.863 4.151 -2.891 1.00 0.39 C ATOM 282 C ILE A 21 -11.626 5.577 -3.339 1.00 0.43 C ATOM 283 O ILE A 21 -10.991 5.791 -4.380 1.00 0.50 O ATOM 284 CB ILE A 21 -10.834 3.719 -1.788 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.460 3.289 -2.367 1.00 0.41 C ATOM 286 CG2 ILE A 21 -11.406 2.634 -0.902 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.609 4.398 -2.956 1.00 0.43 C ATOM 0 H ILE A 21 -10.941 3.208 -4.491 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.848 4.082 -2.429 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.651 4.607 -1.182 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -8.890 2.803 -1.575 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.632 2.541 -3.141 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -10.671 2.355 -0.147 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.307 3.002 -0.412 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -11.653 1.762 -1.508 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.674 3.980 -3.329 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -9.147 4.873 -3.776 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.394 5.139 -2.186 1.00 0.43 H new ATOM 299 N PRO A 22 -12.154 6.564 -2.619 1.00 0.52 N ATOM 300 CA PRO A 22 -11.913 7.956 -2.940 1.00 0.60 C ATOM 301 C PRO A 22 -10.448 8.300 -2.705 1.00 0.55 C ATOM 302 O PRO A 22 -9.886 7.999 -1.639 1.00 0.52 O ATOM 303 CB PRO A 22 -12.807 8.733 -1.957 1.00 0.74 C ATOM 304 CG PRO A 22 -13.750 7.727 -1.396 1.00 0.75 C ATOM 305 CD PRO A 22 -13.041 6.412 -1.455 1.00 0.63 C ATOM 0 HA PRO A 22 -12.133 8.192 -3.981 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -12.213 9.196 -1.169 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -13.344 9.534 -2.464 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -14.021 7.977 -0.370 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -14.675 7.697 -1.972 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.478 6.216 -0.542 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.738 5.584 -1.584 1.00 0.63 H new ATOM 313 N VAL A 23 -9.825 8.953 -3.655 1.00 0.62 N ATOM 314 CA VAL A 23 -8.399 9.299 -3.551 1.00 0.65 C ATOM 315 C VAL A 23 -8.148 10.547 -2.688 1.00 0.73 C ATOM 316 O VAL A 23 -7.137 11.246 -2.812 1.00 1.02 O ATOM 317 CB VAL A 23 -7.721 9.398 -4.931 1.00 0.78 C ATOM 318 CG1 VAL A 23 -7.784 8.039 -5.593 1.00 1.48 C ATOM 319 CG2 VAL A 23 -8.397 10.451 -5.811 1.00 1.35 C ATOM 0 H VAL A 23 -10.271 9.264 -4.518 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.925 8.470 -3.026 1.00 0.65 H new ATOM 0 HB VAL A 23 -6.684 9.706 -4.799 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -7.308 8.089 -6.572 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -7.264 7.308 -4.974 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -8.825 7.739 -5.710 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -7.894 10.495 -6.777 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -9.444 10.184 -5.959 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -8.336 11.425 -5.325 1.00 1.35 H new ATOM 329 N GLU A 24 -9.044 10.737 -1.770 1.00 0.66 N ATOM 330 CA GLU A 24 -9.015 11.784 -0.784 1.00 0.76 C ATOM 331 C GLU A 24 -9.288 11.150 0.574 1.00 0.69 C ATOM 332 O GLU A 24 -9.270 11.811 1.607 1.00 0.80 O ATOM 333 CB GLU A 24 -10.128 12.775 -1.096 1.00 0.99 C ATOM 334 CG GLU A 24 -11.504 12.128 -1.119 1.00 1.22 C ATOM 335 CD GLU A 24 -12.591 13.074 -1.488 1.00 1.54 C ATOM 336 OE1 GLU A 24 -12.877 13.211 -2.686 1.00 1.89 O ATOM 337 OE2 GLU A 24 -13.205 13.662 -0.590 1.00 2.03 O ATOM 0 H GLU A 24 -9.862 10.135 -1.680 1.00 0.66 H new ATOM 0 HA GLU A 24 -8.052 12.294 -0.785 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -10.118 13.571 -0.352 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -9.934 13.240 -2.063 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -11.497 11.299 -1.827 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -11.716 11.706 -0.137 1.00 1.22 H new ATOM 344 N ASP A 25 -9.564 9.852 0.542 1.00 0.60 N ATOM 345 CA ASP A 25 -9.965 9.117 1.719 1.00 0.64 C ATOM 346 C ASP A 25 -8.767 8.485 2.348 1.00 0.55 C ATOM 347 O ASP A 25 -8.549 8.591 3.545 1.00 0.58 O ATOM 348 CB ASP A 25 -10.927 8.009 1.318 1.00 0.72 C ATOM 349 CG ASP A 25 -11.568 7.340 2.510 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.619 7.826 2.982 1.00 1.07 O ATOM 351 OD2 ASP A 25 -11.048 6.315 3.000 1.00 0.98 O ATOM 0 H ASP A 25 -9.514 9.286 -0.305 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.442 9.802 2.420 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.705 8.422 0.676 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.392 7.263 0.731 1.00 0.72 H new ATOM 356 N VAL A 26 -7.996 7.831 1.513 1.00 0.51 N ATOM 357 CA VAL A 26 -6.826 7.101 1.928 1.00 0.47 C ATOM 358 C VAL A 26 -5.734 8.073 2.344 1.00 0.47 C ATOM 359 O VAL A 26 -5.057 8.673 1.509 1.00 0.51 O ATOM 360 CB VAL A 26 -6.326 6.179 0.788 1.00 0.51 C ATOM 361 CG1 VAL A 26 -5.176 5.296 1.256 1.00 0.73 C ATOM 362 CG2 VAL A 26 -7.466 5.326 0.269 1.00 0.70 C ATOM 0 H VAL A 26 -8.169 7.792 0.508 1.00 0.51 H new ATOM 0 HA VAL A 26 -7.086 6.474 2.781 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.957 6.810 -0.020 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.847 4.661 0.434 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.347 5.922 1.585 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -5.510 4.672 2.085 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -7.103 4.682 -0.532 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.859 4.711 1.079 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -8.257 5.970 -0.114 1.00 0.70 H new ATOM 372 N LYS A 27 -5.691 8.320 3.620 1.00 0.49 N ATOM 373 CA LYS A 27 -4.704 9.158 4.242 1.00 0.54 C ATOM 374 C LYS A 27 -3.846 8.275 5.139 1.00 0.47 C ATOM 375 O LYS A 27 -3.920 7.066 5.028 1.00 0.51 O ATOM 376 CB LYS A 27 -5.399 10.226 5.066 1.00 0.65 C ATOM 377 CG LYS A 27 -6.276 11.164 4.267 1.00 0.83 C ATOM 378 CD LYS A 27 -6.935 12.157 5.182 1.00 1.53 C ATOM 379 CE LYS A 27 -7.810 13.130 4.429 1.00 2.02 C ATOM 380 NZ LYS A 27 -8.458 14.077 5.357 1.00 2.83 N ATOM 0 H LYS A 27 -6.364 7.931 4.280 1.00 0.49 H new ATOM 0 HA LYS A 27 -4.081 9.649 3.494 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.008 9.740 5.828 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -4.643 10.812 5.589 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -5.678 11.686 3.520 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -7.034 10.596 3.728 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -7.536 11.626 5.920 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -6.170 12.707 5.730 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -7.210 13.678 3.702 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -8.570 12.585 3.869 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -9.055 14.737 4.819 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -9.047 13.551 6.034 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -7.730 14.611 5.873 1.00 2.83 H new ATOM 394 N LEU A 28 -3.077 8.863 6.037 1.00 0.49 N ATOM 395 CA LEU A 28 -2.176 8.092 6.909 1.00 0.47 C ATOM 396 C LEU A 28 -2.926 7.228 7.939 1.00 0.50 C ATOM 397 O LEU A 28 -2.476 6.132 8.278 1.00 0.56 O ATOM 398 CB LEU A 28 -1.128 8.987 7.611 1.00 0.54 C ATOM 399 CG LEU A 28 0.076 9.498 6.776 1.00 0.53 C ATOM 400 CD1 LEU A 28 0.913 8.341 6.261 1.00 1.07 C ATOM 401 CD2 LEU A 28 -0.356 10.404 5.627 1.00 0.99 C ATOM 0 H LEU A 28 -3.050 9.871 6.190 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.646 7.412 6.242 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.648 9.857 8.012 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.732 8.432 8.461 1.00 0.54 H new ATOM 0 HG LEU A 28 0.690 10.100 7.446 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.750 8.728 5.679 1.00 1.07 H new ATOM 0 HD12 LEU A 28 1.293 7.764 7.104 1.00 1.07 H new ATOM 0 HD13 LEU A 28 0.298 7.700 5.630 1.00 1.07 H new ATOM 0 HD21 LEU A 28 0.523 10.735 5.074 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -1.019 9.854 4.959 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.881 11.272 6.026 1.00 0.99 H new ATOM 413 N ASP A 29 -4.066 7.690 8.420 1.00 0.56 N ATOM 414 CA ASP A 29 -4.839 6.908 9.400 1.00 0.65 C ATOM 415 C ASP A 29 -5.801 5.956 8.691 1.00 0.61 C ATOM 416 O ASP A 29 -7.039 6.098 8.728 1.00 1.03 O ATOM 417 CB ASP A 29 -5.556 7.809 10.423 1.00 0.87 C ATOM 418 CG ASP A 29 -6.298 7.033 11.498 1.00 1.73 C ATOM 419 OD1 ASP A 29 -5.654 6.308 12.279 1.00 2.34 O ATOM 420 OD2 ASP A 29 -7.537 7.154 11.586 1.00 2.47 O ATOM 0 H ASP A 29 -4.481 8.585 8.161 1.00 0.56 H new ATOM 0 HA ASP A 29 -4.137 6.302 9.972 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -4.823 8.461 10.897 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -6.262 8.452 9.897 1.00 0.87 H new ATOM 425 N LYS A 30 -5.206 5.039 7.970 1.00 0.43 N ATOM 426 CA LYS A 30 -5.900 4.035 7.185 1.00 0.39 C ATOM 427 C LYS A 30 -5.153 2.722 7.258 1.00 0.38 C ATOM 428 O LYS A 30 -3.995 2.681 7.655 1.00 0.57 O ATOM 429 CB LYS A 30 -5.963 4.481 5.709 1.00 0.44 C ATOM 430 CG LYS A 30 -6.792 5.712 5.484 1.00 0.51 C ATOM 431 CD LYS A 30 -8.255 5.385 5.575 1.00 0.75 C ATOM 432 CE LYS A 30 -9.107 6.621 5.712 1.00 0.98 C ATOM 433 NZ LYS A 30 -10.544 6.294 5.653 1.00 1.06 N ATOM 0 H LYS A 30 -4.191 4.964 7.908 1.00 0.43 H new ATOM 0 HA LYS A 30 -6.908 3.913 7.582 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -4.950 4.666 5.351 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -6.369 3.666 5.110 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -6.536 6.470 6.224 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -6.568 6.134 4.504 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -8.558 4.833 4.685 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -8.427 4.731 6.430 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -8.884 7.116 6.657 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -8.860 7.325 4.917 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -11.089 7.036 6.136 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -10.846 6.234 4.660 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -10.712 5.381 6.121 1.00 1.06 H new ATOM 447 N SER A 31 -5.810 1.678 6.861 1.00 0.46 N ATOM 448 CA SER A 31 -5.254 0.362 6.758 1.00 0.44 C ATOM 449 C SER A 31 -5.918 -0.256 5.563 1.00 0.45 C ATOM 450 O SER A 31 -7.000 0.209 5.176 1.00 0.57 O ATOM 451 CB SER A 31 -5.505 -0.448 8.031 1.00 0.49 C ATOM 452 OG SER A 31 -5.016 -1.774 7.914 1.00 1.31 O ATOM 0 H SER A 31 -6.792 1.720 6.587 1.00 0.46 H new ATOM 0 HA SER A 31 -4.171 0.387 6.641 1.00 0.44 H new ATOM 0 HB2 SER A 31 -5.024 0.044 8.876 1.00 0.49 H new ATOM 0 HB3 SER A 31 -6.574 -0.472 8.242 1.00 0.49 H new ATOM 0 HG SER A 31 -5.768 -2.402 7.927 1.00 1.31 H new ATOM 458 N PHE A 32 -5.355 -1.303 5.016 1.00 0.41 N ATOM 459 CA PHE A 32 -5.790 -1.784 3.738 1.00 0.46 C ATOM 460 C PHE A 32 -7.009 -2.631 3.871 1.00 0.55 C ATOM 461 O PHE A 32 -8.104 -2.237 3.486 1.00 1.03 O ATOM 462 CB PHE A 32 -4.659 -2.526 3.043 1.00 0.51 C ATOM 463 CG PHE A 32 -3.440 -1.677 2.773 1.00 0.50 C ATOM 464 CD1 PHE A 32 -2.499 -1.455 3.766 1.00 0.52 C ATOM 465 CD2 PHE A 32 -3.236 -1.112 1.527 1.00 0.55 C ATOM 466 CE1 PHE A 32 -1.384 -0.688 3.524 1.00 0.58 C ATOM 467 CE2 PHE A 32 -2.118 -0.339 1.278 1.00 0.59 C ATOM 468 CZ PHE A 32 -1.190 -0.130 2.282 1.00 0.60 C ATOM 0 H PHE A 32 -4.595 -1.836 5.439 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.062 -0.930 3.117 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -4.367 -3.378 3.657 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -5.027 -2.925 2.098 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -2.644 -1.891 4.744 1.00 0.52 H new ATOM 0 HD2 PHE A 32 -3.958 -1.277 0.741 1.00 0.55 H new ATOM 0 HE1 PHE A 32 -0.661 -0.524 4.309 1.00 0.58 H new ATOM 0 HE2 PHE A 32 -1.969 0.100 0.303 1.00 0.59 H new ATOM 0 HZ PHE A 32 -0.313 0.471 2.091 1.00 0.60 H new ATOM 478 N THR A 33 -6.876 -3.733 4.485 1.00 0.47 N ATOM 479 CA THR A 33 -7.986 -4.601 4.600 1.00 0.50 C ATOM 480 C THR A 33 -8.773 -4.364 5.890 1.00 0.60 C ATOM 481 O THR A 33 -9.367 -5.285 6.459 1.00 1.13 O ATOM 482 CB THR A 33 -7.553 -6.037 4.486 1.00 0.65 C ATOM 483 OG1 THR A 33 -6.461 -6.285 5.394 1.00 1.37 O ATOM 484 CG2 THR A 33 -7.154 -6.390 3.059 1.00 1.21 C ATOM 0 H THR A 33 -6.014 -4.063 4.918 1.00 0.47 H new ATOM 0 HA THR A 33 -8.659 -4.377 3.773 1.00 0.50 H new ATOM 0 HB THR A 33 -8.397 -6.673 4.753 1.00 0.65 H new ATOM 0 HG1 THR A 33 -6.181 -7.221 5.320 1.00 1.37 H new ATOM 0 HG21 THR A 33 -6.847 -7.435 3.015 1.00 1.21 H new ATOM 0 HG22 THR A 33 -8.003 -6.233 2.394 1.00 1.21 H new ATOM 0 HG23 THR A 33 -6.326 -5.755 2.745 1.00 1.21 H new ATOM 492 N ASP A 34 -8.852 -3.112 6.281 1.00 0.55 N ATOM 493 CA ASP A 34 -9.552 -2.722 7.494 1.00 0.60 C ATOM 494 C ASP A 34 -10.290 -1.438 7.246 1.00 0.58 C ATOM 495 O ASP A 34 -11.487 -1.331 7.494 1.00 0.75 O ATOM 496 CB ASP A 34 -8.585 -2.475 8.672 1.00 0.72 C ATOM 497 CG ASP A 34 -7.699 -3.639 9.035 1.00 1.46 C ATOM 498 OD1 ASP A 34 -6.628 -3.792 8.416 1.00 2.31 O ATOM 499 OD2 ASP A 34 -8.022 -4.394 9.965 1.00 1.58 O ATOM 0 H ASP A 34 -8.435 -2.333 5.771 1.00 0.55 H new ATOM 0 HA ASP A 34 -10.226 -3.539 7.753 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -7.953 -1.621 8.428 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -9.170 -2.198 9.549 1.00 0.72 H new ATOM 504 N ASP A 35 -9.577 -0.454 6.717 1.00 0.48 N ATOM 505 CA ASP A 35 -10.151 0.879 6.567 1.00 0.50 C ATOM 506 C ASP A 35 -10.388 1.206 5.101 1.00 0.56 C ATOM 507 O ASP A 35 -10.737 2.332 4.755 1.00 0.86 O ATOM 508 CB ASP A 35 -9.210 1.923 7.181 1.00 0.47 C ATOM 509 CG ASP A 35 -9.940 3.072 7.853 1.00 0.99 C ATOM 510 OD1 ASP A 35 -10.395 4.011 7.184 1.00 1.67 O ATOM 511 OD2 ASP A 35 -10.042 3.063 9.091 1.00 1.47 O ATOM 0 H ASP A 35 -8.616 -0.548 6.389 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.109 0.899 7.086 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -8.565 1.435 7.912 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -8.562 2.321 6.400 1.00 0.47 H new ATOM 516 N LEU A 36 -10.172 0.236 4.226 1.00 0.44 N ATOM 517 CA LEU A 36 -10.424 0.459 2.815 1.00 0.49 C ATOM 518 C LEU A 36 -11.591 -0.394 2.398 1.00 0.53 C ATOM 519 O LEU A 36 -12.281 -0.945 3.254 1.00 0.64 O ATOM 520 CB LEU A 36 -9.191 0.146 1.945 1.00 0.51 C ATOM 521 CG LEU A 36 -7.911 0.918 2.268 1.00 0.59 C ATOM 522 CD1 LEU A 36 -6.815 0.593 1.271 1.00 0.65 C ATOM 523 CD2 LEU A 36 -8.173 2.403 2.311 1.00 0.69 C ATOM 0 H LEU A 36 -9.829 -0.695 4.463 1.00 0.44 H new ATOM 0 HA LEU A 36 -10.650 1.515 2.665 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -8.977 -0.919 2.029 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -9.451 0.338 0.904 1.00 0.51 H new ATOM 0 HG LEU A 36 -7.572 0.606 3.256 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -5.916 1.155 1.523 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -6.597 -0.475 1.305 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -7.143 0.865 0.268 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -7.247 2.929 2.543 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -8.546 2.735 1.342 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -8.915 2.619 3.079 1.00 0.69 H new ATOM 535 N ASP A 37 -11.791 -0.538 1.103 1.00 0.63 N ATOM 536 CA ASP A 37 -12.917 -1.317 0.565 1.00 0.76 C ATOM 537 C ASP A 37 -12.652 -2.821 0.725 1.00 0.78 C ATOM 538 O ASP A 37 -13.522 -3.653 0.491 1.00 1.33 O ATOM 539 CB ASP A 37 -13.146 -0.954 -0.908 1.00 1.14 C ATOM 540 CG ASP A 37 -14.422 -1.539 -1.486 1.00 1.49 C ATOM 541 OD1 ASP A 37 -15.501 -0.918 -1.331 1.00 2.15 O ATOM 542 OD2 ASP A 37 -14.374 -2.606 -2.117 1.00 1.96 O ATOM 0 H ASP A 37 -11.190 -0.127 0.389 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.819 -1.073 1.126 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -13.177 0.131 -1.006 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -12.297 -1.303 -1.496 1.00 1.14 H new ATOM 547 N VAL A 38 -11.426 -3.138 1.146 1.00 0.65 N ATOM 548 CA VAL A 38 -10.975 -4.486 1.420 1.00 0.96 C ATOM 549 C VAL A 38 -10.939 -5.316 0.144 1.00 0.89 C ATOM 550 O VAL A 38 -11.858 -6.073 -0.192 1.00 1.43 O ATOM 551 CB VAL A 38 -11.792 -5.163 2.558 1.00 1.60 C ATOM 552 CG1 VAL A 38 -11.295 -6.581 2.847 1.00 2.23 C ATOM 553 CG2 VAL A 38 -11.714 -4.315 3.823 1.00 2.14 C ATOM 0 H VAL A 38 -10.704 -2.435 1.308 1.00 0.65 H new ATOM 0 HA VAL A 38 -9.952 -4.424 1.792 1.00 0.96 H new ATOM 0 HB VAL A 38 -12.828 -5.237 2.228 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -11.891 -7.019 3.647 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -11.390 -7.190 1.948 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -10.249 -6.545 3.152 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -12.288 -4.793 4.617 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -10.674 -4.220 4.134 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -12.125 -3.325 3.624 1.00 2.14 H new ATOM 563 N ASP A 39 -9.923 -5.036 -0.622 1.00 0.82 N ATOM 564 CA ASP A 39 -9.613 -5.700 -1.884 1.00 1.15 C ATOM 565 C ASP A 39 -9.351 -7.178 -1.623 1.00 1.18 C ATOM 566 O ASP A 39 -9.592 -8.036 -2.477 1.00 2.04 O ATOM 567 CB ASP A 39 -8.323 -5.085 -2.452 1.00 1.60 C ATOM 568 CG ASP A 39 -8.305 -3.567 -2.417 1.00 2.37 C ATOM 569 OD1 ASP A 39 -8.311 -3.002 -1.282 1.00 2.78 O ATOM 570 OD2 ASP A 39 -8.301 -2.940 -3.485 1.00 2.96 O ATOM 0 H ASP A 39 -9.250 -4.307 -0.385 1.00 0.82 H new ATOM 0 HA ASP A 39 -10.445 -5.580 -2.578 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -7.471 -5.463 -1.887 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -8.195 -5.418 -3.482 1.00 1.60 H new ATOM 575 N SER A 40 -8.836 -7.437 -0.427 1.00 0.85 N ATOM 576 CA SER A 40 -8.472 -8.741 0.063 1.00 0.86 C ATOM 577 C SER A 40 -7.488 -9.437 -0.850 1.00 0.74 C ATOM 578 O SER A 40 -6.337 -9.049 -0.897 1.00 0.81 O ATOM 579 CB SER A 40 -9.687 -9.603 0.432 1.00 1.19 C ATOM 580 OG SER A 40 -9.294 -10.936 0.738 1.00 1.18 O ATOM 0 H SER A 40 -8.656 -6.699 0.254 1.00 0.85 H new ATOM 0 HA SER A 40 -7.945 -8.585 1.005 1.00 0.86 H new ATOM 0 HB2 SER A 40 -10.200 -9.166 1.288 1.00 1.19 H new ATOM 0 HB3 SER A 40 -10.397 -9.610 -0.395 1.00 1.19 H new ATOM 0 HG SER A 40 -10.092 -11.492 0.862 1.00 1.18 H new ATOM 585 N LEU A 41 -7.945 -10.375 -1.642 1.00 0.71 N ATOM 586 CA LEU A 41 -7.043 -11.124 -2.512 1.00 0.70 C ATOM 587 C LEU A 41 -6.579 -10.248 -3.655 1.00 0.65 C ATOM 588 O LEU A 41 -5.459 -10.368 -4.149 1.00 0.71 O ATOM 589 CB LEU A 41 -7.660 -12.427 -3.067 1.00 0.83 C ATOM 590 CG LEU A 41 -7.961 -13.560 -2.072 1.00 1.01 C ATOM 591 CD1 LEU A 41 -6.753 -13.880 -1.202 1.00 1.29 C ATOM 592 CD2 LEU A 41 -9.188 -13.272 -1.237 1.00 1.34 C ATOM 0 H LEU A 41 -8.927 -10.644 -1.710 1.00 0.71 H new ATOM 0 HA LEU A 41 -6.196 -11.420 -1.893 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -8.591 -12.168 -3.571 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -6.985 -12.820 -3.827 1.00 0.83 H new ATOM 0 HG LEU A 41 -8.181 -14.449 -2.663 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -7.005 -14.685 -0.512 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -5.921 -14.191 -1.834 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -6.467 -12.993 -0.636 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -9.362 -14.099 -0.549 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -9.035 -12.354 -0.670 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -10.053 -13.155 -1.890 1.00 1.34 H new ATOM 604 N SER A 42 -7.419 -9.318 -4.022 1.00 0.65 N ATOM 605 CA SER A 42 -7.124 -8.399 -5.081 1.00 0.66 C ATOM 606 C SER A 42 -6.096 -7.356 -4.633 1.00 0.50 C ATOM 607 O SER A 42 -5.510 -6.666 -5.451 1.00 0.47 O ATOM 608 CB SER A 42 -8.404 -7.752 -5.563 1.00 0.84 C ATOM 609 OG SER A 42 -9.336 -8.751 -5.946 1.00 1.26 O ATOM 0 H SER A 42 -8.332 -9.178 -3.590 1.00 0.65 H new ATOM 0 HA SER A 42 -6.680 -8.945 -5.913 1.00 0.66 H new ATOM 0 HB2 SER A 42 -8.827 -7.131 -4.774 1.00 0.84 H new ATOM 0 HB3 SER A 42 -8.194 -7.095 -6.407 1.00 0.84 H new ATOM 0 HG SER A 42 -10.163 -8.326 -6.255 1.00 1.26 H new ATOM 615 N MET A 43 -5.843 -7.275 -3.326 1.00 0.45 N ATOM 616 CA MET A 43 -4.873 -6.320 -2.808 1.00 0.35 C ATOM 617 C MET A 43 -3.470 -6.719 -3.262 1.00 0.30 C ATOM 618 O MET A 43 -2.551 -5.900 -3.292 1.00 0.27 O ATOM 619 CB MET A 43 -4.905 -6.221 -1.296 1.00 0.39 C ATOM 620 CG MET A 43 -4.342 -4.909 -0.782 1.00 0.47 C ATOM 621 SD MET A 43 -3.907 -4.967 0.947 1.00 0.97 S ATOM 622 CE MET A 43 -2.392 -5.899 0.860 1.00 0.54 C ATOM 0 H MET A 43 -6.293 -7.854 -2.617 1.00 0.45 H new ATOM 0 HA MET A 43 -5.139 -5.340 -3.205 1.00 0.35 H new ATOM 0 HB2 MET A 43 -5.933 -6.330 -0.951 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.336 -7.047 -0.870 1.00 0.39 H new ATOM 0 HG2 MET A 43 -3.459 -4.646 -1.364 1.00 0.47 H new ATOM 0 HG3 MET A 43 -5.076 -4.118 -0.940 1.00 0.47 H new ATOM 0 HE1 MET A 43 -2.441 -6.739 1.553 1.00 0.54 H new ATOM 0 HE2 MET A 43 -2.253 -6.273 -0.154 1.00 0.54 H new ATOM 0 HE3 MET A 43 -1.553 -5.256 1.128 1.00 0.54 H new ATOM 632 N VAL A 44 -3.303 -7.992 -3.614 1.00 0.36 N ATOM 633 CA VAL A 44 -2.031 -8.470 -4.130 1.00 0.39 C ATOM 634 C VAL A 44 -1.746 -7.800 -5.493 1.00 0.37 C ATOM 635 O VAL A 44 -0.596 -7.583 -5.861 1.00 0.42 O ATOM 636 CB VAL A 44 -1.984 -10.020 -4.269 1.00 0.54 C ATOM 637 CG1 VAL A 44 -0.606 -10.498 -4.707 1.00 0.65 C ATOM 638 CG2 VAL A 44 -2.376 -10.689 -2.965 1.00 0.57 C ATOM 0 H VAL A 44 -4.030 -8.704 -3.550 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.259 -8.198 -3.410 1.00 0.39 H new ATOM 0 HB VAL A 44 -2.702 -10.300 -5.039 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -0.608 -11.585 -4.794 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -0.358 -10.057 -5.672 1.00 0.65 H new ATOM 0 HG13 VAL A 44 0.136 -10.195 -3.968 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -2.336 -11.772 -3.085 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -1.685 -10.386 -2.178 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -3.389 -10.391 -2.693 1.00 0.57 H new ATOM 648 N GLU A 45 -2.812 -7.398 -6.189 1.00 0.37 N ATOM 649 CA GLU A 45 -2.677 -6.709 -7.472 1.00 0.38 C ATOM 650 C GLU A 45 -2.257 -5.269 -7.212 1.00 0.31 C ATOM 651 O GLU A 45 -1.633 -4.619 -8.048 1.00 0.37 O ATOM 652 CB GLU A 45 -3.997 -6.707 -8.252 1.00 0.46 C ATOM 653 CG GLU A 45 -4.663 -8.063 -8.400 1.00 0.64 C ATOM 654 CD GLU A 45 -3.749 -9.119 -8.945 1.00 1.21 C ATOM 655 OE1 GLU A 45 -3.386 -9.060 -10.135 1.00 1.31 O ATOM 656 OE2 GLU A 45 -3.384 -10.040 -8.181 1.00 2.06 O ATOM 0 H GLU A 45 -3.776 -7.538 -5.886 1.00 0.37 H new ATOM 0 HA GLU A 45 -1.930 -7.234 -8.067 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -4.693 -6.031 -7.755 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -3.812 -6.300 -9.246 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -5.038 -8.384 -7.428 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -5.527 -7.966 -9.058 1.00 0.64 H new ATOM 663 N VAL A 46 -2.620 -4.783 -6.041 1.00 0.30 N ATOM 664 CA VAL A 46 -2.257 -3.456 -5.597 1.00 0.30 C ATOM 665 C VAL A 46 -0.775 -3.435 -5.285 1.00 0.29 C ATOM 666 O VAL A 46 -0.017 -2.704 -5.909 1.00 0.39 O ATOM 667 CB VAL A 46 -3.047 -3.051 -4.318 1.00 0.51 C ATOM 668 CG1 VAL A 46 -2.647 -1.659 -3.844 1.00 0.91 C ATOM 669 CG2 VAL A 46 -4.542 -3.114 -4.561 1.00 1.43 C ATOM 0 H VAL A 46 -3.180 -5.305 -5.367 1.00 0.30 H new ATOM 0 HA VAL A 46 -2.499 -2.748 -6.389 1.00 0.30 H new ATOM 0 HB VAL A 46 -2.794 -3.766 -3.535 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -3.214 -1.402 -2.949 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -1.582 -1.645 -3.614 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.859 -0.933 -4.629 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -5.071 -2.827 -3.652 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -4.809 -2.431 -5.367 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -4.823 -4.130 -4.838 1.00 1.43 H new ATOM 679 N VAL A 47 -0.371 -4.263 -4.324 1.00 0.28 N ATOM 680 CA VAL A 47 1.017 -4.298 -3.863 1.00 0.33 C ATOM 681 C VAL A 47 2.025 -4.542 -5.001 1.00 0.31 C ATOM 682 O VAL A 47 3.018 -3.837 -5.079 1.00 0.35 O ATOM 683 CB VAL A 47 1.252 -5.288 -2.667 1.00 0.41 C ATOM 684 CG1 VAL A 47 0.920 -6.722 -3.029 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.679 -5.181 -2.140 1.00 0.53 C ATOM 0 H VAL A 47 -0.987 -4.921 -3.847 1.00 0.28 H new ATOM 0 HA VAL A 47 1.206 -3.295 -3.480 1.00 0.33 H new ATOM 0 HB VAL A 47 0.565 -4.991 -1.874 1.00 0.41 H new ATOM 0 HG11 VAL A 47 1.100 -7.366 -2.168 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.128 -6.790 -3.321 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.549 -7.043 -3.859 1.00 0.39 H new ATOM 0 HG21 VAL A 47 2.814 -5.877 -1.312 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.381 -5.425 -2.938 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.863 -4.164 -1.793 1.00 0.53 H new ATOM 695 N VAL A 48 1.731 -5.478 -5.916 1.00 0.29 N ATOM 696 CA VAL A 48 2.660 -5.778 -7.016 1.00 0.31 C ATOM 697 C VAL A 48 2.881 -4.535 -7.910 1.00 0.29 C ATOM 698 O VAL A 48 3.988 -4.278 -8.395 1.00 0.35 O ATOM 699 CB VAL A 48 2.207 -7.018 -7.875 1.00 0.37 C ATOM 700 CG1 VAL A 48 0.887 -6.779 -8.594 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.286 -7.431 -8.864 1.00 0.65 C ATOM 0 H VAL A 48 0.874 -6.031 -5.918 1.00 0.29 H new ATOM 0 HA VAL A 48 3.611 -6.048 -6.556 1.00 0.31 H new ATOM 0 HB VAL A 48 2.049 -7.836 -7.173 1.00 0.37 H new ATOM 0 HG11 VAL A 48 0.621 -7.665 -9.171 1.00 0.61 H new ATOM 0 HG12 VAL A 48 0.106 -6.575 -7.862 1.00 0.61 H new ATOM 0 HG13 VAL A 48 0.987 -5.926 -9.265 1.00 0.61 H new ATOM 0 HG21 VAL A 48 2.942 -8.289 -9.441 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.498 -6.602 -9.539 1.00 0.65 H new ATOM 0 HG23 VAL A 48 4.193 -7.699 -8.322 1.00 0.65 H new ATOM 711 N ALA A 49 1.840 -3.739 -8.065 1.00 0.28 N ATOM 712 CA ALA A 49 1.926 -2.532 -8.844 1.00 0.28 C ATOM 713 C ALA A 49 2.617 -1.448 -8.032 1.00 0.27 C ATOM 714 O ALA A 49 3.360 -0.638 -8.563 1.00 0.32 O ATOM 715 CB ALA A 49 0.537 -2.079 -9.273 1.00 0.32 C ATOM 0 H ALA A 49 0.922 -3.914 -7.656 1.00 0.28 H new ATOM 0 HA ALA A 49 2.512 -2.726 -9.742 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.618 -1.165 -9.861 1.00 0.32 H new ATOM 0 HB2 ALA A 49 0.070 -2.858 -9.875 1.00 0.32 H new ATOM 0 HB3 ALA A 49 -0.073 -1.889 -8.390 1.00 0.32 H new ATOM 721 N ALA A 50 2.401 -1.473 -6.734 1.00 0.27 N ATOM 722 CA ALA A 50 2.969 -0.492 -5.834 1.00 0.30 C ATOM 723 C ALA A 50 4.473 -0.624 -5.734 1.00 0.29 C ATOM 724 O ALA A 50 5.172 0.380 -5.601 1.00 0.32 O ATOM 725 CB ALA A 50 2.317 -0.560 -4.466 1.00 0.36 C ATOM 0 H ALA A 50 1.825 -2.176 -6.272 1.00 0.27 H new ATOM 0 HA ALA A 50 2.760 0.492 -6.254 1.00 0.30 H new ATOM 0 HB1 ALA A 50 2.764 0.189 -3.812 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.249 -0.366 -4.562 1.00 0.36 H new ATOM 0 HB3 ALA A 50 2.469 -1.552 -4.040 1.00 0.36 H new ATOM 731 N GLU A 51 4.965 -1.849 -5.827 1.00 0.32 N ATOM 732 CA GLU A 51 6.394 -2.119 -5.780 1.00 0.39 C ATOM 733 C GLU A 51 7.131 -1.285 -6.822 1.00 0.39 C ATOM 734 O GLU A 51 8.032 -0.510 -6.488 1.00 0.47 O ATOM 735 CB GLU A 51 6.666 -3.603 -6.006 1.00 0.49 C ATOM 736 CG GLU A 51 6.003 -4.504 -4.987 1.00 0.36 C ATOM 737 CD GLU A 51 6.332 -5.949 -5.201 1.00 0.44 C ATOM 738 OE1 GLU A 51 7.367 -6.391 -4.713 1.00 0.78 O ATOM 739 OE2 GLU A 51 5.574 -6.671 -5.867 1.00 0.70 O ATOM 0 H GLU A 51 4.387 -2.682 -5.937 1.00 0.32 H new ATOM 0 HA GLU A 51 6.761 -1.844 -4.791 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.320 -3.879 -7.002 1.00 0.49 H new ATOM 0 HB3 GLU A 51 7.742 -3.774 -5.983 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.316 -4.208 -3.986 1.00 0.36 H new ATOM 0 HG3 GLU A 51 4.922 -4.369 -5.036 1.00 0.36 H new ATOM 746 N GLU A 52 6.694 -1.380 -8.059 1.00 0.36 N ATOM 747 CA GLU A 52 7.332 -0.650 -9.134 1.00 0.41 C ATOM 748 C GLU A 52 7.074 0.860 -9.017 1.00 0.38 C ATOM 749 O GLU A 52 7.938 1.669 -9.363 1.00 0.47 O ATOM 750 CB GLU A 52 6.874 -1.166 -10.495 1.00 0.49 C ATOM 751 CG GLU A 52 5.393 -0.993 -10.755 1.00 0.53 C ATOM 752 CD GLU A 52 5.005 -1.431 -12.127 1.00 0.73 C ATOM 753 OE1 GLU A 52 5.261 -0.686 -13.075 1.00 0.94 O ATOM 754 OE2 GLU A 52 4.438 -2.512 -12.280 1.00 0.96 O ATOM 0 H GLU A 52 5.901 -1.954 -8.345 1.00 0.36 H new ATOM 0 HA GLU A 52 8.406 -0.816 -9.048 1.00 0.41 H new ATOM 0 HB2 GLU A 52 7.432 -0.647 -11.275 1.00 0.49 H new ATOM 0 HB3 GLU A 52 7.125 -2.224 -10.574 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.828 -1.566 -10.020 1.00 0.53 H new ATOM 0 HG3 GLU A 52 5.122 0.054 -10.620 1.00 0.53 H new ATOM 761 N ARG A 53 5.897 1.231 -8.488 1.00 0.32 N ATOM 762 CA ARG A 53 5.517 2.641 -8.360 1.00 0.36 C ATOM 763 C ARG A 53 6.452 3.375 -7.415 1.00 0.35 C ATOM 764 O ARG A 53 6.906 4.475 -7.708 1.00 0.48 O ATOM 765 CB ARG A 53 4.076 2.823 -7.829 1.00 0.46 C ATOM 766 CG ARG A 53 2.919 2.295 -8.686 1.00 1.11 C ATOM 767 CD ARG A 53 2.890 2.859 -10.101 1.00 1.21 C ATOM 768 NE ARG A 53 3.796 2.150 -11.027 1.00 2.17 N ATOM 769 CZ ARG A 53 4.332 2.689 -12.142 1.00 2.78 C ATOM 770 NH1 ARG A 53 4.226 3.992 -12.371 1.00 2.79 N ATOM 771 NH2 ARG A 53 4.984 1.924 -13.009 1.00 3.85 N ATOM 0 H ARG A 53 5.196 0.574 -8.144 1.00 0.32 H new ATOM 0 HA ARG A 53 5.582 3.054 -9.366 1.00 0.36 H new ATOM 0 HB2 ARG A 53 4.016 2.340 -6.854 1.00 0.46 H new ATOM 0 HB3 ARG A 53 3.912 3.888 -7.667 1.00 0.46 H new ATOM 0 HG2 ARG A 53 2.987 1.208 -8.740 1.00 1.11 H new ATOM 0 HG3 ARG A 53 1.977 2.532 -8.192 1.00 1.11 H new ATOM 0 HD2 ARG A 53 1.872 2.805 -10.486 1.00 1.21 H new ATOM 0 HD3 ARG A 53 3.164 3.914 -10.071 1.00 1.21 H new ATOM 0 HE ARG A 53 4.034 1.183 -10.808 1.00 2.17 H new ATOM 0 HH11 ARG A 53 3.738 4.589 -11.703 1.00 2.79 H new ATOM 0 HH12 ARG A 53 4.632 4.396 -13.215 1.00 2.79 H new ATOM 0 HH21 ARG A 53 5.082 0.924 -12.834 1.00 3.85 H new ATOM 0 HH22 ARG A 53 5.387 2.336 -13.850 1.00 3.85 H new ATOM 785 N PHE A 54 6.752 2.753 -6.295 1.00 0.29 N ATOM 786 CA PHE A 54 7.531 3.418 -5.267 1.00 0.30 C ATOM 787 C PHE A 54 8.973 2.985 -5.260 1.00 0.33 C ATOM 788 O PHE A 54 9.711 3.333 -4.346 1.00 0.40 O ATOM 789 CB PHE A 54 6.903 3.192 -3.901 1.00 0.31 C ATOM 790 CG PHE A 54 5.485 3.630 -3.865 1.00 0.30 C ATOM 791 CD1 PHE A 54 5.157 4.954 -4.087 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.478 2.716 -3.659 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.847 5.351 -4.097 1.00 0.39 C ATOM 794 CE2 PHE A 54 3.171 3.108 -3.675 1.00 0.38 C ATOM 795 CZ PHE A 54 2.857 4.423 -3.890 1.00 0.37 C ATOM 0 H PHE A 54 6.473 1.798 -6.072 1.00 0.29 H new ATOM 0 HA PHE A 54 7.522 4.483 -5.499 1.00 0.30 H new ATOM 0 HB2 PHE A 54 6.963 2.134 -3.644 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.470 3.736 -3.146 1.00 0.31 H new ATOM 0 HD1 PHE A 54 5.939 5.680 -4.254 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.724 1.679 -3.483 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.594 6.387 -4.267 1.00 0.39 H new ATOM 0 HE2 PHE A 54 2.386 2.383 -3.518 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.822 4.733 -3.897 1.00 0.37 H new ATOM 805 N ASP A 55 9.370 2.222 -6.280 1.00 0.36 N ATOM 806 CA ASP A 55 10.764 1.757 -6.434 1.00 0.44 C ATOM 807 C ASP A 55 11.168 0.815 -5.322 1.00 0.46 C ATOM 808 O ASP A 55 12.329 0.803 -4.888 1.00 0.77 O ATOM 809 CB ASP A 55 11.758 2.935 -6.508 1.00 0.53 C ATOM 810 CG ASP A 55 11.672 3.710 -7.787 1.00 1.14 C ATOM 811 OD1 ASP A 55 12.179 3.221 -8.817 1.00 1.23 O ATOM 812 OD2 ASP A 55 11.156 4.843 -7.790 1.00 1.95 O ATOM 0 H ASP A 55 8.745 1.907 -7.022 1.00 0.36 H new ATOM 0 HA ASP A 55 10.802 1.214 -7.378 1.00 0.44 H new ATOM 0 HB2 ASP A 55 11.574 3.609 -5.671 1.00 0.53 H new ATOM 0 HB3 ASP A 55 12.772 2.552 -6.392 1.00 0.53 H new ATOM 817 N VAL A 56 10.243 -0.004 -4.895 1.00 0.35 N ATOM 818 CA VAL A 56 10.489 -0.956 -3.840 1.00 0.40 C ATOM 819 C VAL A 56 10.266 -2.368 -4.336 1.00 0.52 C ATOM 820 O VAL A 56 9.963 -2.581 -5.510 1.00 1.14 O ATOM 821 CB VAL A 56 9.618 -0.709 -2.564 1.00 0.55 C ATOM 822 CG1 VAL A 56 10.008 0.580 -1.883 1.00 1.00 C ATOM 823 CG2 VAL A 56 8.124 -0.688 -2.907 1.00 1.37 C ATOM 0 H VAL A 56 9.294 -0.031 -5.269 1.00 0.35 H new ATOM 0 HA VAL A 56 11.531 -0.819 -3.550 1.00 0.40 H new ATOM 0 HB VAL A 56 9.804 -1.536 -1.879 1.00 0.55 H new ATOM 0 HG11 VAL A 56 9.387 0.727 -0.999 1.00 1.00 H new ATOM 0 HG12 VAL A 56 11.056 0.532 -1.586 1.00 1.00 H new ATOM 0 HG13 VAL A 56 9.863 1.413 -2.571 1.00 1.00 H new ATOM 0 HG21 VAL A 56 7.545 -0.514 -2.000 1.00 1.37 H new ATOM 0 HG22 VAL A 56 7.926 0.110 -3.622 1.00 1.37 H new ATOM 0 HG23 VAL A 56 7.837 -1.645 -3.343 1.00 1.37 H new ATOM 833 N LYS A 57 10.398 -3.310 -3.458 1.00 0.41 N ATOM 834 CA LYS A 57 10.117 -4.679 -3.762 1.00 0.40 C ATOM 835 C LYS A 57 9.646 -5.305 -2.478 1.00 0.45 C ATOM 836 O LYS A 57 10.435 -5.542 -1.581 1.00 0.67 O ATOM 837 CB LYS A 57 11.362 -5.409 -4.295 1.00 0.57 C ATOM 838 CG LYS A 57 11.037 -6.757 -4.905 1.00 1.30 C ATOM 839 CD LYS A 57 10.207 -6.589 -6.171 1.00 1.77 C ATOM 840 CE LYS A 57 9.630 -7.909 -6.660 1.00 2.45 C ATOM 841 NZ LYS A 57 8.645 -8.462 -5.709 1.00 3.34 N ATOM 0 H LYS A 57 10.707 -3.150 -2.499 1.00 0.41 H new ATOM 0 HA LYS A 57 9.363 -4.751 -4.546 1.00 0.40 H new ATOM 0 HB2 LYS A 57 11.851 -4.785 -5.043 1.00 0.57 H new ATOM 0 HB3 LYS A 57 12.073 -5.546 -3.481 1.00 0.57 H new ATOM 0 HG2 LYS A 57 11.960 -7.289 -5.137 1.00 1.30 H new ATOM 0 HG3 LYS A 57 10.491 -7.366 -4.184 1.00 1.30 H new ATOM 0 HD2 LYS A 57 9.395 -5.888 -5.980 1.00 1.77 H new ATOM 0 HD3 LYS A 57 10.827 -6.153 -6.954 1.00 1.77 H new ATOM 0 HE2 LYS A 57 9.155 -7.761 -7.630 1.00 2.45 H new ATOM 0 HE3 LYS A 57 10.437 -8.627 -6.806 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 7.830 -8.840 -6.233 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 9.086 -9.226 -5.157 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 8.324 -7.711 -5.065 1.00 3.34 H new ATOM 855 N ILE A 58 8.387 -5.548 -2.386 1.00 0.36 N ATOM 856 CA ILE A 58 7.786 -5.973 -1.152 1.00 0.42 C ATOM 857 C ILE A 58 7.471 -7.457 -1.214 1.00 0.46 C ATOM 858 O ILE A 58 6.617 -7.884 -1.997 1.00 0.52 O ATOM 859 CB ILE A 58 6.490 -5.163 -0.861 1.00 0.47 C ATOM 860 CG1 ILE A 58 6.796 -3.658 -0.865 1.00 0.48 C ATOM 861 CG2 ILE A 58 5.886 -5.578 0.480 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.584 -2.769 -0.675 1.00 0.57 C ATOM 0 H ILE A 58 7.733 -5.460 -3.164 1.00 0.36 H new ATOM 0 HA ILE A 58 8.493 -5.790 -0.343 1.00 0.42 H new ATOM 0 HB ILE A 58 5.764 -5.377 -1.645 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.515 -3.444 -0.074 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.275 -3.400 -1.809 1.00 0.48 H new ATOM 0 HG21 ILE A 58 4.980 -5.000 0.666 1.00 0.55 H new ATOM 0 HG22 ILE A 58 5.640 -6.640 0.455 1.00 0.55 H new ATOM 0 HG23 ILE A 58 6.606 -5.390 1.277 1.00 0.55 H new ATOM 0 HD11 ILE A 58 5.893 -1.724 -0.691 1.00 0.57 H new ATOM 0 HD12 ILE A 58 4.871 -2.949 -1.480 1.00 0.57 H new ATOM 0 HD13 ILE A 58 5.114 -2.994 0.283 1.00 0.57 H new ATOM 874 N PRO A 59 8.201 -8.274 -0.434 1.00 0.47 N ATOM 875 CA PRO A 59 7.974 -9.713 -0.367 1.00 0.53 C ATOM 876 C PRO A 59 6.594 -10.022 0.183 1.00 0.53 C ATOM 877 O PRO A 59 6.080 -9.291 1.045 1.00 0.46 O ATOM 878 CB PRO A 59 9.057 -10.208 0.601 1.00 0.59 C ATOM 879 CG PRO A 59 10.076 -9.130 0.603 1.00 0.63 C ATOM 880 CD PRO A 59 9.304 -7.863 0.447 1.00 0.50 C ATOM 0 HA PRO A 59 8.024 -10.189 -1.346 1.00 0.53 H new ATOM 0 HB2 PRO A 59 8.652 -10.372 1.599 1.00 0.59 H new ATOM 0 HB3 PRO A 59 9.482 -11.155 0.270 1.00 0.59 H new ATOM 0 HG2 PRO A 59 10.648 -9.131 1.531 1.00 0.63 H new ATOM 0 HG3 PRO A 59 10.789 -9.260 -0.212 1.00 0.63 H new ATOM 0 HD2 PRO A 59 8.942 -7.487 1.404 1.00 0.50 H new ATOM 0 HD3 PRO A 59 9.907 -7.072 0.002 1.00 0.50 H new ATOM 888 N ASP A 60 6.033 -11.125 -0.283 1.00 0.68 N ATOM 889 CA ASP A 60 4.669 -11.591 0.063 1.00 0.77 C ATOM 890 C ASP A 60 4.529 -11.724 1.582 1.00 0.70 C ATOM 891 O ASP A 60 3.458 -11.499 2.164 1.00 0.69 O ATOM 892 CB ASP A 60 4.447 -12.952 -0.610 1.00 1.08 C ATOM 893 CG ASP A 60 3.034 -13.482 -0.536 1.00 1.50 C ATOM 894 OD1 ASP A 60 2.252 -13.203 -1.458 1.00 1.84 O ATOM 895 OD2 ASP A 60 2.704 -14.254 0.402 1.00 2.30 O ATOM 0 H ASP A 60 6.513 -11.749 -0.931 1.00 0.68 H new ATOM 0 HA ASP A 60 3.925 -10.874 -0.285 1.00 0.77 H new ATOM 0 HB2 ASP A 60 4.734 -12.872 -1.659 1.00 1.08 H new ATOM 0 HB3 ASP A 60 5.116 -13.680 -0.151 1.00 1.08 H new ATOM 900 N ASP A 61 5.645 -12.055 2.202 1.00 0.75 N ATOM 901 CA ASP A 61 5.768 -12.202 3.643 1.00 0.85 C ATOM 902 C ASP A 61 5.470 -10.878 4.324 1.00 0.71 C ATOM 903 O ASP A 61 4.543 -10.773 5.127 1.00 0.79 O ATOM 904 CB ASP A 61 7.201 -12.620 4.002 1.00 1.13 C ATOM 905 CG ASP A 61 7.670 -13.853 3.271 1.00 1.80 C ATOM 906 OD1 ASP A 61 8.127 -13.734 2.108 1.00 2.38 O ATOM 907 OD2 ASP A 61 7.622 -14.958 3.834 1.00 2.31 O ATOM 0 H ASP A 61 6.517 -12.235 1.705 1.00 0.75 H new ATOM 0 HA ASP A 61 5.061 -12.961 3.978 1.00 0.85 H new ATOM 0 HB2 ASP A 61 7.878 -11.796 3.779 1.00 1.13 H new ATOM 0 HB3 ASP A 61 7.260 -12.799 5.076 1.00 1.13 H new ATOM 912 N ASP A 62 6.227 -9.851 3.943 1.00 0.60 N ATOM 913 CA ASP A 62 6.118 -8.512 4.540 1.00 0.62 C ATOM 914 C ASP A 62 4.774 -7.893 4.327 1.00 0.51 C ATOM 915 O ASP A 62 4.304 -7.170 5.186 1.00 0.61 O ATOM 916 CB ASP A 62 7.205 -7.549 4.048 1.00 0.74 C ATOM 917 CG ASP A 62 8.552 -7.833 4.640 1.00 0.82 C ATOM 918 OD1 ASP A 62 8.841 -7.343 5.754 1.00 1.17 O ATOM 919 OD2 ASP A 62 9.340 -8.545 4.021 1.00 1.52 O ATOM 0 H ASP A 62 6.935 -9.919 3.212 1.00 0.60 H new ATOM 0 HA ASP A 62 6.261 -8.673 5.609 1.00 0.62 H new ATOM 0 HB2 ASP A 62 7.272 -7.610 2.962 1.00 0.74 H new ATOM 0 HB3 ASP A 62 6.915 -6.527 4.293 1.00 0.74 H new ATOM 924 N VAL A 63 4.148 -8.192 3.195 1.00 0.43 N ATOM 925 CA VAL A 63 2.823 -7.654 2.870 1.00 0.46 C ATOM 926 C VAL A 63 1.831 -7.973 4.002 1.00 0.46 C ATOM 927 O VAL A 63 1.191 -7.089 4.537 1.00 0.55 O ATOM 928 CB VAL A 63 2.272 -8.231 1.533 1.00 0.53 C ATOM 929 CG1 VAL A 63 0.970 -7.549 1.157 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.270 -8.073 0.407 1.00 0.73 C ATOM 0 H VAL A 63 4.536 -8.807 2.480 1.00 0.43 H new ATOM 0 HA VAL A 63 2.932 -6.575 2.757 1.00 0.46 H new ATOM 0 HB VAL A 63 2.093 -9.295 1.687 1.00 0.53 H new ATOM 0 HG11 VAL A 63 0.599 -7.964 0.220 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.233 -7.713 1.943 1.00 0.79 H new ATOM 0 HG13 VAL A 63 1.141 -6.479 1.037 1.00 0.79 H new ATOM 0 HG21 VAL A 63 2.852 -8.487 -0.511 1.00 0.73 H new ATOM 0 HG22 VAL A 63 3.490 -7.015 0.261 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.189 -8.603 0.658 1.00 0.73 H new ATOM 940 N LYS A 64 1.762 -9.231 4.401 1.00 0.46 N ATOM 941 CA LYS A 64 0.823 -9.636 5.444 1.00 0.55 C ATOM 942 C LYS A 64 1.369 -9.353 6.839 1.00 0.54 C ATOM 943 O LYS A 64 0.668 -9.531 7.831 1.00 0.63 O ATOM 944 CB LYS A 64 0.449 -11.113 5.320 1.00 0.68 C ATOM 945 CG LYS A 64 -0.289 -11.462 4.039 1.00 0.77 C ATOM 946 CD LYS A 64 -0.577 -12.956 3.940 1.00 0.99 C ATOM 947 CE LYS A 64 0.704 -13.781 3.938 1.00 1.17 C ATOM 948 NZ LYS A 64 1.584 -13.475 2.784 1.00 1.24 N ATOM 0 H LYS A 64 2.336 -9.986 4.026 1.00 0.46 H new ATOM 0 HA LYS A 64 -0.077 -9.037 5.301 1.00 0.55 H new ATOM 0 HB2 LYS A 64 1.357 -11.713 5.378 1.00 0.68 H new ATOM 0 HB3 LYS A 64 -0.172 -11.392 6.171 1.00 0.68 H new ATOM 0 HG2 LYS A 64 -1.227 -10.908 3.997 1.00 0.77 H new ATOM 0 HG3 LYS A 64 0.305 -11.149 3.180 1.00 0.77 H new ATOM 0 HD2 LYS A 64 -1.204 -13.261 4.777 1.00 0.99 H new ATOM 0 HD3 LYS A 64 -1.141 -13.158 3.029 1.00 0.99 H new ATOM 0 HE2 LYS A 64 1.250 -13.598 4.864 1.00 1.17 H new ATOM 0 HE3 LYS A 64 0.448 -14.840 3.923 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 2.090 -14.336 2.495 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 1.008 -13.130 1.990 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 2.272 -12.744 3.056 1.00 1.24 H new ATOM 962 N ASN A 65 2.616 -8.925 6.917 1.00 0.50 N ATOM 963 CA ASN A 65 3.220 -8.609 8.207 1.00 0.56 C ATOM 964 C ASN A 65 3.089 -7.136 8.521 1.00 0.52 C ATOM 965 O ASN A 65 3.443 -6.686 9.614 1.00 0.65 O ATOM 966 CB ASN A 65 4.694 -9.022 8.302 1.00 0.64 C ATOM 967 CG ASN A 65 4.929 -10.524 8.280 1.00 1.32 C ATOM 968 OD1 ASN A 65 4.053 -11.319 8.643 1.00 1.95 O ATOM 969 ND2 ASN A 65 6.120 -10.923 7.918 1.00 2.07 N ATOM 0 H ASN A 65 3.229 -8.788 6.113 1.00 0.50 H new ATOM 0 HA ASN A 65 2.669 -9.194 8.943 1.00 0.56 H new ATOM 0 HB2 ASN A 65 5.239 -8.569 7.474 1.00 0.64 H new ATOM 0 HB3 ASN A 65 5.114 -8.614 9.221 1.00 0.64 H new ATOM 0 HD21 ASN A 65 6.350 -11.917 7.929 1.00 2.07 H new ATOM 0 HD22 ASN A 65 6.819 -10.241 7.624 1.00 2.07 H new ATOM 976 N LEU A 66 2.617 -6.379 7.565 1.00 0.43 N ATOM 977 CA LEU A 66 2.382 -4.969 7.759 1.00 0.43 C ATOM 978 C LEU A 66 0.925 -4.774 8.091 1.00 0.43 C ATOM 979 O LEU A 66 0.118 -5.685 7.885 1.00 0.47 O ATOM 980 CB LEU A 66 2.783 -4.169 6.522 1.00 0.44 C ATOM 981 CG LEU A 66 4.265 -4.229 6.132 1.00 0.50 C ATOM 982 CD1 LEU A 66 4.500 -3.464 4.852 1.00 0.57 C ATOM 983 CD2 LEU A 66 5.146 -3.682 7.248 1.00 0.60 C ATOM 0 H LEU A 66 2.385 -6.720 6.632 1.00 0.43 H new ATOM 0 HA LEU A 66 2.996 -4.601 8.581 1.00 0.43 H new ATOM 0 HB2 LEU A 66 2.191 -4.523 5.678 1.00 0.44 H new ATOM 0 HB3 LEU A 66 2.513 -3.126 6.686 1.00 0.44 H new ATOM 0 HG LEU A 66 4.533 -5.273 5.972 1.00 0.50 H new ATOM 0 HD11 LEU A 66 5.556 -3.515 4.587 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.903 -3.902 4.052 1.00 0.57 H new ATOM 0 HD13 LEU A 66 4.211 -2.422 4.992 1.00 0.57 H new ATOM 0 HD21 LEU A 66 6.192 -3.736 6.946 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.879 -2.644 7.447 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.998 -4.274 8.151 1.00 0.60 H new ATOM 995 N LYS A 67 0.582 -3.636 8.619 1.00 0.45 N ATOM 996 CA LYS A 67 -0.782 -3.404 9.042 1.00 0.50 C ATOM 997 C LYS A 67 -1.454 -2.202 8.395 1.00 0.43 C ATOM 998 O LYS A 67 -2.157 -2.348 7.401 1.00 0.52 O ATOM 999 CB LYS A 67 -0.915 -3.427 10.581 1.00 0.64 C ATOM 1000 CG LYS A 67 0.262 -2.813 11.329 1.00 0.85 C ATOM 1001 CD LYS A 67 0.069 -2.911 12.832 1.00 0.88 C ATOM 1002 CE LYS A 67 1.348 -2.605 13.621 1.00 1.86 C ATOM 1003 NZ LYS A 67 1.939 -1.275 13.327 1.00 2.69 N ATOM 0 H LYS A 67 1.218 -2.853 8.770 1.00 0.45 H new ATOM 0 HA LYS A 67 -1.353 -4.250 8.659 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -1.824 -2.895 10.862 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -1.036 -4.460 10.907 1.00 0.64 H new ATOM 0 HG2 LYS A 67 1.183 -3.322 11.044 1.00 0.85 H new ATOM 0 HG3 LYS A 67 0.374 -1.768 11.041 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -0.715 -2.218 13.138 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -0.276 -3.914 13.084 1.00 0.88 H new ATOM 0 HE2 LYS A 67 1.128 -2.665 14.687 1.00 1.86 H new ATOM 0 HE3 LYS A 67 2.088 -3.375 13.405 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 2.299 -0.853 14.207 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 2.721 -1.385 12.650 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 1.211 -0.654 12.918 1.00 2.69 H new ATOM 1017 N THR A 68 -1.231 -1.028 8.916 1.00 0.37 N ATOM 1018 CA THR A 68 -1.905 0.133 8.407 1.00 0.35 C ATOM 1019 C THR A 68 -1.110 0.739 7.258 1.00 0.32 C ATOM 1020 O THR A 68 -0.048 0.232 6.897 1.00 0.33 O ATOM 1021 CB THR A 68 -2.106 1.186 9.516 1.00 0.38 C ATOM 1022 OG1 THR A 68 -0.823 1.602 9.995 1.00 0.36 O ATOM 1023 CG2 THR A 68 -2.906 0.603 10.675 1.00 0.46 C ATOM 0 H THR A 68 -0.591 -0.850 9.690 1.00 0.37 H new ATOM 0 HA THR A 68 -2.885 -0.176 8.044 1.00 0.35 H new ATOM 0 HB THR A 68 -2.655 2.033 9.105 1.00 0.38 H new ATOM 0 HG1 THR A 68 -0.939 2.273 10.700 1.00 0.36 H new ATOM 0 HG21 THR A 68 -3.036 1.363 11.446 1.00 0.46 H new ATOM 0 HG22 THR A 68 -3.883 0.279 10.316 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.372 -0.250 11.093 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.570 1.846 6.726 1.00 0.33 N ATOM 1032 CA VAL A 69 -0.837 2.520 5.684 1.00 0.33 C ATOM 1033 C VAL A 69 0.253 3.368 6.315 1.00 0.34 C ATOM 1034 O VAL A 69 1.251 3.687 5.685 1.00 0.36 O ATOM 1035 CB VAL A 69 -1.731 3.383 4.755 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -2.823 2.543 4.124 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.335 4.535 5.500 1.00 0.56 C ATOM 0 H VAL A 69 -2.444 2.297 6.996 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.402 1.753 5.044 1.00 0.33 H new ATOM 0 HB VAL A 69 -1.094 3.781 3.965 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.437 3.170 3.477 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.373 1.744 3.534 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.446 2.109 4.906 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -2.956 5.121 4.822 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -2.948 4.158 6.319 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.541 5.165 5.901 1.00 0.56 H new ATOM 1047 N GLY A 70 0.073 3.672 7.597 1.00 0.36 N ATOM 1048 CA GLY A 70 1.069 4.402 8.337 1.00 0.38 C ATOM 1049 C GLY A 70 2.172 3.466 8.746 1.00 0.39 C ATOM 1050 O GLY A 70 3.312 3.869 8.966 1.00 0.46 O ATOM 0 H GLY A 70 -0.756 3.420 8.135 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.471 5.211 7.727 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.620 4.860 9.218 1.00 0.38 H new ATOM 1054 N ASP A 71 1.815 2.211 8.848 1.00 0.42 N ATOM 1055 CA ASP A 71 2.750 1.155 9.160 1.00 0.50 C ATOM 1056 C ASP A 71 3.476 0.693 7.908 1.00 0.49 C ATOM 1057 O ASP A 71 4.690 0.526 7.913 1.00 0.58 O ATOM 1058 CB ASP A 71 2.011 -0.019 9.785 1.00 0.62 C ATOM 1059 CG ASP A 71 2.894 -1.192 10.089 1.00 0.82 C ATOM 1060 OD1 ASP A 71 3.535 -1.204 11.158 1.00 1.00 O ATOM 1061 OD2 ASP A 71 2.911 -2.137 9.311 1.00 1.62 O ATOM 0 H ASP A 71 0.857 1.888 8.716 1.00 0.42 H new ATOM 0 HA ASP A 71 3.485 1.542 9.866 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.532 0.313 10.706 1.00 0.62 H new ATOM 0 HB3 ASP A 71 1.217 -0.338 9.110 1.00 0.62 H new ATOM 1066 N ALA A 72 2.722 0.541 6.824 1.00 0.43 N ATOM 1067 CA ALA A 72 3.250 0.034 5.562 1.00 0.48 C ATOM 1068 C ALA A 72 4.250 0.987 4.970 1.00 0.44 C ATOM 1069 O ALA A 72 5.273 0.564 4.414 1.00 0.47 O ATOM 1070 CB ALA A 72 2.129 -0.235 4.567 1.00 0.51 C ATOM 0 H ALA A 72 1.727 0.766 6.796 1.00 0.43 H new ATOM 0 HA ALA A 72 3.756 -0.908 5.775 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.552 -0.612 3.636 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.445 -0.976 4.981 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.587 0.690 4.371 1.00 0.51 H new ATOM 1076 N THR A 73 3.973 2.278 5.116 1.00 0.40 N ATOM 1077 CA THR A 73 4.836 3.301 4.608 1.00 0.39 C ATOM 1078 C THR A 73 6.246 3.191 5.160 1.00 0.39 C ATOM 1079 O THR A 73 7.193 3.430 4.433 1.00 0.41 O ATOM 1080 CB THR A 73 4.269 4.710 4.844 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.662 4.787 6.131 1.00 0.36 O ATOM 1082 CG2 THR A 73 3.272 5.093 3.777 1.00 0.46 C ATOM 0 H THR A 73 3.142 2.629 5.591 1.00 0.40 H new ATOM 0 HA THR A 73 4.889 3.141 3.531 1.00 0.39 H new ATOM 0 HB THR A 73 5.099 5.415 4.794 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.702 4.606 6.051 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.892 6.095 3.977 1.00 0.46 H new ATOM 0 HG22 THR A 73 3.759 5.077 2.802 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.444 4.384 3.781 1.00 0.46 H new ATOM 1090 N LYS A 74 6.366 2.752 6.419 1.00 0.47 N ATOM 1091 CA LYS A 74 7.651 2.584 7.093 1.00 0.53 C ATOM 1092 C LYS A 74 8.599 1.710 6.273 1.00 0.48 C ATOM 1093 O LYS A 74 9.753 2.061 6.067 1.00 0.55 O ATOM 1094 CB LYS A 74 7.442 1.975 8.497 1.00 0.65 C ATOM 1095 CG LYS A 74 8.726 1.580 9.217 1.00 1.26 C ATOM 1096 CD LYS A 74 9.642 2.766 9.409 1.00 1.88 C ATOM 1097 CE LYS A 74 10.990 2.339 9.942 1.00 2.66 C ATOM 1098 NZ LYS A 74 11.889 3.490 10.083 1.00 3.54 N ATOM 0 H LYS A 74 5.565 2.503 7.000 1.00 0.47 H new ATOM 0 HA LYS A 74 8.107 3.568 7.196 1.00 0.53 H new ATOM 0 HB2 LYS A 74 6.902 2.694 9.113 1.00 0.65 H new ATOM 0 HB3 LYS A 74 6.807 1.094 8.405 1.00 0.65 H new ATOM 0 HG2 LYS A 74 8.482 1.147 10.187 1.00 1.26 H new ATOM 0 HG3 LYS A 74 9.242 0.809 8.645 1.00 1.26 H new ATOM 0 HD2 LYS A 74 9.772 3.285 8.459 1.00 1.88 H new ATOM 0 HD3 LYS A 74 9.184 3.474 10.099 1.00 1.88 H new ATOM 0 HE2 LYS A 74 10.865 1.851 10.908 1.00 2.66 H new ATOM 0 HE3 LYS A 74 11.435 1.606 9.270 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 12.808 3.170 10.451 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 12.025 3.940 9.155 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 11.472 4.177 10.743 1.00 3.54 H new ATOM 1112 N TYR A 75 8.095 0.605 5.786 1.00 0.45 N ATOM 1113 CA TYR A 75 8.909 -0.307 5.020 1.00 0.44 C ATOM 1114 C TYR A 75 9.209 0.278 3.640 1.00 0.40 C ATOM 1115 O TYR A 75 10.351 0.253 3.171 1.00 0.48 O ATOM 1116 CB TYR A 75 8.205 -1.670 4.901 1.00 0.49 C ATOM 1117 CG TYR A 75 8.978 -2.687 4.092 1.00 0.50 C ATOM 1118 CD1 TYR A 75 10.016 -3.407 4.659 1.00 0.68 C ATOM 1119 CD2 TYR A 75 8.675 -2.912 2.757 1.00 0.52 C ATOM 1120 CE1 TYR A 75 10.737 -4.320 3.922 1.00 0.77 C ATOM 1121 CE2 TYR A 75 9.384 -3.823 2.015 1.00 0.61 C ATOM 1122 CZ TYR A 75 10.419 -4.525 2.601 1.00 0.69 C ATOM 1123 OH TYR A 75 11.143 -5.422 1.850 1.00 0.83 O ATOM 0 H TYR A 75 7.125 0.314 5.906 1.00 0.45 H new ATOM 0 HA TYR A 75 9.858 -0.455 5.536 1.00 0.44 H new ATOM 0 HB2 TYR A 75 8.034 -2.069 5.901 1.00 0.49 H new ATOM 0 HB3 TYR A 75 7.226 -1.524 4.444 1.00 0.49 H new ATOM 0 HD1 TYR A 75 10.265 -3.250 5.698 1.00 0.68 H new ATOM 0 HD2 TYR A 75 7.869 -2.362 2.295 1.00 0.52 H new ATOM 0 HE1 TYR A 75 11.546 -4.871 4.379 1.00 0.77 H new ATOM 0 HE2 TYR A 75 9.134 -3.990 0.978 1.00 0.61 H new ATOM 0 HH TYR A 75 11.482 -6.136 2.430 1.00 0.83 H new ATOM 1133 N ILE A 76 8.185 0.840 3.033 1.00 0.37 N ATOM 1134 CA ILE A 76 8.260 1.371 1.677 1.00 0.43 C ATOM 1135 C ILE A 76 9.216 2.567 1.588 1.00 0.52 C ATOM 1136 O ILE A 76 10.268 2.468 0.957 1.00 0.65 O ATOM 1137 CB ILE A 76 6.859 1.813 1.196 1.00 0.45 C ATOM 1138 CG1 ILE A 76 5.878 0.644 1.292 1.00 0.48 C ATOM 1139 CG2 ILE A 76 6.929 2.322 -0.247 1.00 0.59 C ATOM 1140 CD1 ILE A 76 4.452 1.032 0.999 1.00 0.55 C ATOM 0 H ILE A 76 7.267 0.945 3.465 1.00 0.37 H new ATOM 0 HA ILE A 76 8.640 0.573 1.039 1.00 0.43 H new ATOM 0 HB ILE A 76 6.509 2.623 1.836 1.00 0.45 H new ATOM 0 HG12 ILE A 76 6.185 -0.136 0.595 1.00 0.48 H new ATOM 0 HG13 ILE A 76 5.932 0.216 2.293 1.00 0.48 H new ATOM 0 HG21 ILE A 76 5.935 2.630 -0.573 1.00 0.59 H new ATOM 0 HG22 ILE A 76 7.608 3.173 -0.300 1.00 0.59 H new ATOM 0 HG23 ILE A 76 7.293 1.526 -0.896 1.00 0.59 H new ATOM 0 HD11 ILE A 76 3.811 0.155 1.085 1.00 0.55 H new ATOM 0 HD12 ILE A 76 4.127 1.790 1.712 1.00 0.55 H new ATOM 0 HD13 ILE A 76 4.384 1.433 -0.012 1.00 0.55 H new ATOM 1152 N LEU A 77 8.862 3.673 2.262 1.00 0.52 N ATOM 1153 CA LEU A 77 9.592 4.938 2.170 1.00 0.71 C ATOM 1154 C LEU A 77 11.039 4.822 2.607 1.00 0.78 C ATOM 1155 O LEU A 77 11.872 5.635 2.220 1.00 0.96 O ATOM 1156 CB LEU A 77 8.840 6.111 2.883 1.00 0.86 C ATOM 1157 CG LEU A 77 8.587 6.019 4.410 1.00 0.88 C ATOM 1158 CD1 LEU A 77 9.838 6.293 5.233 1.00 1.74 C ATOM 1159 CD2 LEU A 77 7.461 6.944 4.821 1.00 0.99 C ATOM 0 H LEU A 77 8.057 3.710 2.888 1.00 0.52 H new ATOM 0 HA LEU A 77 9.625 5.190 1.110 1.00 0.71 H new ATOM 0 HB2 LEU A 77 9.403 7.025 2.697 1.00 0.86 H new ATOM 0 HB3 LEU A 77 7.872 6.227 2.395 1.00 0.86 H new ATOM 0 HG LEU A 77 8.295 4.990 4.619 1.00 0.88 H new ATOM 0 HD11 LEU A 77 9.600 6.215 6.294 1.00 1.74 H new ATOM 0 HD12 LEU A 77 10.608 5.564 4.979 1.00 1.74 H new ATOM 0 HD13 LEU A 77 10.203 7.297 5.016 1.00 1.74 H new ATOM 0 HD21 LEU A 77 7.299 6.865 5.896 1.00 0.99 H new ATOM 0 HD22 LEU A 77 7.723 7.971 4.568 1.00 0.99 H new ATOM 0 HD23 LEU A 77 6.549 6.663 4.295 1.00 0.99 H new ATOM 1171 N ASP A 78 11.324 3.818 3.395 1.00 0.71 N ATOM 1172 CA ASP A 78 12.673 3.604 3.882 1.00 0.84 C ATOM 1173 C ASP A 78 13.512 2.827 2.883 1.00 0.94 C ATOM 1174 O ASP A 78 14.707 3.069 2.743 1.00 1.09 O ATOM 1175 CB ASP A 78 12.659 2.867 5.217 1.00 0.91 C ATOM 1176 CG ASP A 78 14.046 2.607 5.752 1.00 1.15 C ATOM 1177 OD1 ASP A 78 14.598 3.493 6.460 1.00 1.32 O ATOM 1178 OD2 ASP A 78 14.606 1.513 5.497 1.00 1.26 O ATOM 0 H ASP A 78 10.642 3.131 3.717 1.00 0.71 H new ATOM 0 HA ASP A 78 13.122 4.588 4.019 1.00 0.84 H new ATOM 0 HB2 ASP A 78 12.097 3.452 5.945 1.00 0.91 H new ATOM 0 HB3 ASP A 78 12.136 1.918 5.098 1.00 0.91 H new