USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 599 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 33 THR OG1 : rot 73:sc= -0.109 USER MOD Set 1.2: A 43 MET CE :methyl -130:sc= -7.12! (180deg=-5.92!) USER MOD Single : A 3 THR OG1 : rot -30:sc= 0.852 USER MOD Single : A 4 GLN : amide:sc= -0.0796 X(o=-0.08,f=-0.0037) USER MOD Single : A 16 ASN : amide:sc= 0.265 X(o=0.26,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= 2.33 (180deg=2.08) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0463 USER MOD Single : A 42 SER OG : rot 112:sc= -2.68! USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00887) USER MOD Single : A 64 LYS NZ :NH3+ -149:sc= 0.345 (180deg=0.0382) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0843) USER MOD Single : A 68 THR OG1 : rot -109:sc= 1.66 USER MOD Single : A 73 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.04) USER MOD Single : A 75 TYR OH : rot -173:sc= 0.769 USER MOD Single : A 79 HIS : no HD1:sc=-0.00693 X(o=-0.0069,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 -12.292 -7.312 -0.288 1.00 0.54 N ATOM 24 CA THR A 3 -11.692 -8.367 0.435 1.00 0.48 C ATOM 25 C THR A 3 -10.296 -7.899 0.811 1.00 0.39 C ATOM 26 O THR A 3 -9.522 -7.544 -0.055 1.00 0.37 O ATOM 27 CB THR A 3 -11.648 -9.600 -0.471 1.00 0.54 C ATOM 28 OG1 THR A 3 -11.687 -9.161 -1.849 1.00 1.05 O ATOM 29 CG2 THR A 3 -12.826 -10.513 -0.181 1.00 0.94 C ATOM 0 HA THR A 3 -12.243 -8.630 1.338 1.00 0.48 H new ATOM 0 HB THR A 3 -10.731 -10.160 -0.284 1.00 0.54 H new ATOM 0 HG1 THR A 3 -12.196 -8.326 -1.912 1.00 1.05 H new ATOM 0 HG21 THR A 3 -12.780 -11.385 -0.834 1.00 0.94 H new ATOM 0 HG22 THR A 3 -12.788 -10.836 0.859 1.00 0.94 H new ATOM 0 HG23 THR A 3 -13.757 -9.974 -0.360 1.00 0.94 H new ATOM 37 N GLN A 4 -10.021 -7.809 2.104 1.00 0.39 N ATOM 38 CA GLN A 4 -8.742 -7.288 2.624 1.00 0.34 C ATOM 39 C GLN A 4 -7.548 -7.947 1.951 1.00 0.27 C ATOM 40 O GLN A 4 -6.563 -7.303 1.653 1.00 0.25 O ATOM 41 CB GLN A 4 -8.645 -7.523 4.111 1.00 0.47 C ATOM 42 CG GLN A 4 -9.738 -6.877 4.912 1.00 0.63 C ATOM 43 CD GLN A 4 -9.603 -7.217 6.374 1.00 0.81 C ATOM 44 OE1 GLN A 4 -10.142 -8.216 6.834 1.00 1.25 O ATOM 45 NE2 GLN A 4 -8.879 -6.403 7.106 1.00 1.20 N ATOM 0 H GLN A 4 -10.674 -8.094 2.834 1.00 0.39 H new ATOM 0 HA GLN A 4 -8.722 -6.220 2.408 1.00 0.34 H new ATOM 0 HB2 GLN A 4 -8.659 -8.597 4.299 1.00 0.47 H new ATOM 0 HB3 GLN A 4 -7.683 -7.150 4.464 1.00 0.47 H new ATOM 0 HG2 GLN A 4 -9.701 -5.796 4.781 1.00 0.63 H new ATOM 0 HG3 GLN A 4 -10.709 -7.209 4.545 1.00 0.63 H new ATOM 0 HE21 GLN A 4 -8.448 -5.582 6.681 1.00 1.20 H new ATOM 0 HE22 GLN A 4 -8.747 -6.591 8.100 1.00 1.20 H new ATOM 54 N GLU A 5 -7.688 -9.218 1.692 1.00 0.33 N ATOM 55 CA GLU A 5 -6.671 -10.036 1.051 1.00 0.37 C ATOM 56 C GLU A 5 -6.409 -9.525 -0.360 1.00 0.30 C ATOM 57 O GLU A 5 -5.281 -9.496 -0.812 1.00 0.32 O ATOM 58 CB GLU A 5 -7.101 -11.518 0.994 1.00 0.56 C ATOM 59 CG GLU A 5 -7.611 -12.117 2.317 1.00 0.85 C ATOM 60 CD GLU A 5 -9.057 -11.755 2.623 1.00 1.42 C ATOM 61 OE1 GLU A 5 -9.286 -10.723 3.269 1.00 2.30 O ATOM 62 OE2 GLU A 5 -9.982 -12.505 2.243 1.00 1.67 O ATOM 0 H GLU A 5 -8.535 -9.737 1.924 1.00 0.33 H new ATOM 0 HA GLU A 5 -5.758 -9.966 1.643 1.00 0.37 H new ATOM 0 HB2 GLU A 5 -7.885 -11.621 0.244 1.00 0.56 H new ATOM 0 HB3 GLU A 5 -6.253 -12.110 0.652 1.00 0.56 H new ATOM 0 HG2 GLU A 5 -7.516 -13.202 2.277 1.00 0.85 H new ATOM 0 HG3 GLU A 5 -6.977 -11.771 3.133 1.00 0.85 H new ATOM 69 N GLU A 6 -7.462 -9.074 -1.016 1.00 0.31 N ATOM 70 CA GLU A 6 -7.379 -8.533 -2.354 1.00 0.34 C ATOM 71 C GLU A 6 -6.731 -7.171 -2.301 1.00 0.25 C ATOM 72 O GLU A 6 -6.024 -6.770 -3.215 1.00 0.27 O ATOM 73 CB GLU A 6 -8.768 -8.417 -2.963 1.00 0.47 C ATOM 74 CG GLU A 6 -8.782 -7.914 -4.385 1.00 0.57 C ATOM 75 CD GLU A 6 -10.149 -7.911 -4.983 1.00 1.19 C ATOM 76 OE1 GLU A 6 -10.661 -8.993 -5.358 1.00 1.75 O ATOM 77 OE2 GLU A 6 -10.758 -6.828 -5.071 1.00 1.92 O ATOM 0 H GLU A 6 -8.406 -9.074 -0.629 1.00 0.31 H new ATOM 0 HA GLU A 6 -6.781 -9.201 -2.973 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -9.249 -9.395 -2.931 1.00 0.47 H new ATOM 0 HB3 GLU A 6 -9.367 -7.747 -2.347 1.00 0.47 H new ATOM 0 HG2 GLU A 6 -8.376 -6.903 -4.412 1.00 0.57 H new ATOM 0 HG3 GLU A 6 -8.126 -8.537 -4.993 1.00 0.57 H new ATOM 84 N ILE A 7 -6.966 -6.473 -1.221 1.00 0.21 N ATOM 85 CA ILE A 7 -6.393 -5.175 -1.012 1.00 0.19 C ATOM 86 C ILE A 7 -4.892 -5.357 -0.822 1.00 0.18 C ATOM 87 O ILE A 7 -4.095 -4.741 -1.505 1.00 0.21 O ATOM 88 CB ILE A 7 -6.997 -4.513 0.231 1.00 0.20 C ATOM 89 CG1 ILE A 7 -8.534 -4.567 0.169 1.00 0.25 C ATOM 90 CG2 ILE A 7 -6.508 -3.079 0.345 1.00 0.26 C ATOM 91 CD1 ILE A 7 -9.246 -3.845 1.298 1.00 0.29 C ATOM 0 H ILE A 7 -7.564 -6.793 -0.459 1.00 0.21 H new ATOM 0 HA ILE A 7 -6.600 -4.533 -1.868 1.00 0.19 H new ATOM 0 HB ILE A 7 -6.674 -5.058 1.118 1.00 0.20 H new ATOM 0 HG12 ILE A 7 -8.860 -4.139 -0.779 1.00 0.25 H new ATOM 0 HG13 ILE A 7 -8.846 -5.611 0.171 1.00 0.25 H new ATOM 0 HG21 ILE A 7 -6.942 -2.616 1.231 1.00 0.26 H new ATOM 0 HG22 ILE A 7 -5.421 -3.071 0.427 1.00 0.26 H new ATOM 0 HG23 ILE A 7 -6.810 -2.520 -0.541 1.00 0.26 H new ATOM 0 HD11 ILE A 7 -10.324 -3.939 1.167 1.00 0.29 H new ATOM 0 HD12 ILE A 7 -8.956 -4.286 2.252 1.00 0.29 H new ATOM 0 HD13 ILE A 7 -8.970 -2.791 1.287 1.00 0.29 H new ATOM 103 N VAL A 8 -4.537 -6.223 0.093 1.00 0.18 N ATOM 104 CA VAL A 8 -3.154 -6.583 0.345 1.00 0.20 C ATOM 105 C VAL A 8 -2.485 -7.093 -0.953 1.00 0.23 C ATOM 106 O VAL A 8 -1.380 -6.684 -1.284 1.00 0.26 O ATOM 107 CB VAL A 8 -3.081 -7.646 1.472 1.00 0.23 C ATOM 108 CG1 VAL A 8 -1.662 -8.155 1.662 1.00 0.32 C ATOM 109 CG2 VAL A 8 -3.606 -7.045 2.776 1.00 0.23 C ATOM 0 H VAL A 8 -5.204 -6.707 0.694 1.00 0.18 H new ATOM 0 HA VAL A 8 -2.608 -5.699 0.675 1.00 0.20 H new ATOM 0 HB VAL A 8 -3.701 -8.495 1.185 1.00 0.23 H new ATOM 0 HG11 VAL A 8 -1.646 -8.898 2.459 1.00 0.32 H new ATOM 0 HG12 VAL A 8 -1.311 -8.609 0.735 1.00 0.32 H new ATOM 0 HG13 VAL A 8 -1.010 -7.323 1.928 1.00 0.32 H new ATOM 0 HG21 VAL A 8 -3.555 -7.792 3.568 1.00 0.23 H new ATOM 0 HG22 VAL A 8 -2.998 -6.183 3.050 1.00 0.23 H new ATOM 0 HG23 VAL A 8 -4.641 -6.730 2.641 1.00 0.23 H new ATOM 119 N ALA A 9 -3.186 -7.948 -1.695 1.00 0.24 N ATOM 120 CA ALA A 9 -2.687 -8.460 -2.975 1.00 0.28 C ATOM 121 C ALA A 9 -2.530 -7.326 -3.990 1.00 0.26 C ATOM 122 O ALA A 9 -1.611 -7.326 -4.806 1.00 0.29 O ATOM 123 CB ALA A 9 -3.607 -9.538 -3.529 1.00 0.32 C ATOM 0 H ALA A 9 -4.105 -8.304 -1.433 1.00 0.24 H new ATOM 0 HA ALA A 9 -1.708 -8.904 -2.795 1.00 0.28 H new ATOM 0 HB1 ALA A 9 -3.213 -9.900 -4.479 1.00 0.32 H new ATOM 0 HB2 ALA A 9 -3.666 -10.365 -2.822 1.00 0.32 H new ATOM 0 HB3 ALA A 9 -4.603 -9.122 -3.684 1.00 0.32 H new ATOM 129 N GLY A 10 -3.427 -6.360 -3.915 1.00 0.24 N ATOM 130 CA GLY A 10 -3.369 -5.200 -4.762 1.00 0.25 C ATOM 131 C GLY A 10 -2.159 -4.383 -4.435 1.00 0.25 C ATOM 132 O GLY A 10 -1.445 -3.951 -5.313 1.00 0.31 O ATOM 0 H GLY A 10 -4.212 -6.364 -3.264 1.00 0.24 H new ATOM 0 HA2 GLY A 10 -3.339 -5.505 -5.808 1.00 0.25 H new ATOM 0 HA3 GLY A 10 -4.269 -4.599 -4.631 1.00 0.25 H new ATOM 136 N LEU A 11 -1.925 -4.203 -3.157 1.00 0.21 N ATOM 137 CA LEU A 11 -0.748 -3.515 -2.672 1.00 0.22 C ATOM 138 C LEU A 11 0.488 -4.252 -3.139 1.00 0.23 C ATOM 139 O LEU A 11 1.420 -3.646 -3.640 1.00 0.26 O ATOM 140 CB LEU A 11 -0.766 -3.450 -1.149 1.00 0.22 C ATOM 141 CG LEU A 11 -1.879 -2.622 -0.521 1.00 0.23 C ATOM 142 CD1 LEU A 11 -1.883 -2.808 0.981 1.00 0.28 C ATOM 143 CD2 LEU A 11 -1.701 -1.156 -0.867 1.00 0.29 C ATOM 0 H LEU A 11 -2.548 -4.531 -2.419 1.00 0.21 H new ATOM 0 HA LEU A 11 -0.739 -2.498 -3.065 1.00 0.22 H new ATOM 0 HB2 LEU A 11 -0.838 -4.467 -0.764 1.00 0.22 H new ATOM 0 HB3 LEU A 11 0.190 -3.049 -0.813 1.00 0.22 H new ATOM 0 HG LEU A 11 -2.835 -2.961 -0.919 1.00 0.23 H new ATOM 0 HD11 LEU A 11 -2.683 -2.211 1.419 1.00 0.28 H new ATOM 0 HD12 LEU A 11 -2.044 -3.860 1.217 1.00 0.28 H new ATOM 0 HD13 LEU A 11 -0.925 -2.487 1.390 1.00 0.28 H new ATOM 0 HD21 LEU A 11 -2.503 -0.575 -0.412 1.00 0.29 H new ATOM 0 HD22 LEU A 11 -0.740 -0.807 -0.489 1.00 0.29 H new ATOM 0 HD23 LEU A 11 -1.732 -1.031 -1.949 1.00 0.29 H new ATOM 155 N ALA A 12 0.451 -5.563 -2.998 1.00 0.21 N ATOM 156 CA ALA A 12 1.520 -6.442 -3.407 1.00 0.22 C ATOM 157 C ALA A 12 1.876 -6.258 -4.869 1.00 0.23 C ATOM 158 O ALA A 12 3.044 -6.146 -5.203 1.00 0.24 O ATOM 159 CB ALA A 12 1.146 -7.884 -3.133 1.00 0.24 C ATOM 0 H ALA A 12 -0.343 -6.054 -2.586 1.00 0.21 H new ATOM 0 HA ALA A 12 2.402 -6.182 -2.821 1.00 0.22 H new ATOM 0 HB1 ALA A 12 1.961 -8.537 -3.446 1.00 0.24 H new ATOM 0 HB2 ALA A 12 0.964 -8.016 -2.066 1.00 0.24 H new ATOM 0 HB3 ALA A 12 0.244 -8.138 -3.689 1.00 0.24 H new ATOM 165 N GLU A 13 0.874 -6.186 -5.737 1.00 0.24 N ATOM 166 CA GLU A 13 1.143 -6.020 -7.162 1.00 0.28 C ATOM 167 C GLU A 13 1.701 -4.640 -7.500 1.00 0.25 C ATOM 168 O GLU A 13 2.504 -4.492 -8.424 1.00 0.33 O ATOM 169 CB GLU A 13 -0.045 -6.402 -8.042 1.00 0.44 C ATOM 170 CG GLU A 13 -1.300 -5.607 -7.810 1.00 0.53 C ATOM 171 CD GLU A 13 -2.415 -6.032 -8.707 1.00 1.02 C ATOM 172 OE1 GLU A 13 -3.153 -6.972 -8.356 1.00 1.46 O ATOM 173 OE2 GLU A 13 -2.590 -5.435 -9.786 1.00 1.23 O ATOM 0 H GLU A 13 -0.114 -6.239 -5.488 1.00 0.24 H new ATOM 0 HA GLU A 13 1.932 -6.734 -7.398 1.00 0.28 H new ATOM 0 HB2 GLU A 13 0.247 -6.291 -9.086 1.00 0.44 H new ATOM 0 HB3 GLU A 13 -0.269 -7.457 -7.884 1.00 0.44 H new ATOM 0 HG2 GLU A 13 -1.610 -5.718 -6.771 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -1.092 -4.549 -7.969 1.00 0.53 H new ATOM 180 N ILE A 14 1.287 -3.649 -6.754 1.00 0.23 N ATOM 181 CA ILE A 14 1.810 -2.296 -6.894 1.00 0.25 C ATOM 182 C ILE A 14 3.268 -2.296 -6.451 1.00 0.22 C ATOM 183 O ILE A 14 4.169 -1.879 -7.189 1.00 0.22 O ATOM 184 CB ILE A 14 1.009 -1.346 -5.988 1.00 0.30 C ATOM 185 CG1 ILE A 14 -0.437 -1.315 -6.438 1.00 0.33 C ATOM 186 CG2 ILE A 14 1.601 0.054 -6.012 1.00 0.36 C ATOM 187 CD1 ILE A 14 -1.359 -0.701 -5.432 1.00 0.41 C ATOM 0 H ILE A 14 0.577 -3.747 -6.028 1.00 0.23 H new ATOM 0 HA ILE A 14 1.728 -1.966 -7.930 1.00 0.25 H new ATOM 0 HB ILE A 14 1.059 -1.714 -4.963 1.00 0.30 H new ATOM 0 HG12 ILE A 14 -0.507 -0.758 -7.372 1.00 0.33 H new ATOM 0 HG13 ILE A 14 -0.766 -2.333 -6.648 1.00 0.33 H new ATOM 0 HG21 ILE A 14 1.017 0.707 -5.364 1.00 0.36 H new ATOM 0 HG22 ILE A 14 2.632 0.019 -5.659 1.00 0.36 H new ATOM 0 HG23 ILE A 14 1.579 0.441 -7.031 1.00 0.36 H new ATOM 0 HD11 ILE A 14 -2.378 -0.711 -5.819 1.00 0.41 H new ATOM 0 HD12 ILE A 14 -1.317 -1.272 -4.504 1.00 0.41 H new ATOM 0 HD13 ILE A 14 -1.054 0.328 -5.239 1.00 0.41 H new ATOM 199 N VAL A 15 3.481 -2.781 -5.249 1.00 0.21 N ATOM 200 CA VAL A 15 4.789 -2.871 -4.643 1.00 0.19 C ATOM 201 C VAL A 15 5.733 -3.719 -5.490 1.00 0.18 C ATOM 202 O VAL A 15 6.868 -3.360 -5.680 1.00 0.22 O ATOM 203 CB VAL A 15 4.686 -3.422 -3.191 1.00 0.22 C ATOM 204 CG1 VAL A 15 6.046 -3.686 -2.577 1.00 0.23 C ATOM 205 CG2 VAL A 15 3.939 -2.435 -2.333 1.00 0.29 C ATOM 0 H VAL A 15 2.732 -3.132 -4.652 1.00 0.21 H new ATOM 0 HA VAL A 15 5.208 -1.866 -4.593 1.00 0.19 H new ATOM 0 HB VAL A 15 4.154 -4.372 -3.239 1.00 0.22 H new ATOM 0 HG11 VAL A 15 5.920 -4.069 -1.564 1.00 0.23 H new ATOM 0 HG12 VAL A 15 6.581 -4.421 -3.179 1.00 0.23 H new ATOM 0 HG13 VAL A 15 6.617 -2.758 -2.545 1.00 0.23 H new ATOM 0 HG21 VAL A 15 3.866 -2.819 -1.316 1.00 0.29 H new ATOM 0 HG22 VAL A 15 4.472 -1.484 -2.324 1.00 0.29 H new ATOM 0 HG23 VAL A 15 2.938 -2.286 -2.737 1.00 0.29 H new ATOM 215 N ASN A 16 5.255 -4.808 -6.017 1.00 0.17 N ATOM 216 CA ASN A 16 6.085 -5.672 -6.853 1.00 0.19 C ATOM 217 C ASN A 16 6.527 -4.967 -8.120 1.00 0.22 C ATOM 218 O ASN A 16 7.643 -5.171 -8.603 1.00 0.27 O ATOM 219 CB ASN A 16 5.361 -6.964 -7.194 1.00 0.23 C ATOM 220 CG ASN A 16 6.251 -7.935 -7.929 1.00 0.31 C ATOM 221 OD1 ASN A 16 6.247 -8.015 -9.159 1.00 0.64 O ATOM 222 ND2 ASN A 16 7.050 -8.638 -7.185 1.00 0.29 N ATOM 0 H ASN A 16 4.296 -5.132 -5.892 1.00 0.17 H new ATOM 0 HA ASN A 16 6.976 -5.916 -6.275 1.00 0.19 H new ATOM 0 HB2 ASN A 16 4.997 -7.428 -6.277 1.00 0.23 H new ATOM 0 HB3 ASN A 16 4.487 -6.739 -7.806 1.00 0.23 H new ATOM 0 HD21 ASN A 16 7.708 -9.288 -7.615 1.00 0.29 H new ATOM 0 HD22 ASN A 16 7.020 -8.540 -6.170 1.00 0.29 H new ATOM 229 N GLU A 17 5.677 -4.110 -8.614 1.00 0.23 N ATOM 230 CA GLU A 17 5.951 -3.380 -9.820 1.00 0.29 C ATOM 231 C GLU A 17 6.921 -2.210 -9.546 1.00 0.30 C ATOM 232 O GLU A 17 7.940 -2.060 -10.222 1.00 0.44 O ATOM 233 CB GLU A 17 4.637 -2.854 -10.399 1.00 0.38 C ATOM 234 CG GLU A 17 4.749 -2.262 -11.787 1.00 0.63 C ATOM 235 CD GLU A 17 3.465 -1.632 -12.246 1.00 1.21 C ATOM 236 OE1 GLU A 17 2.516 -2.370 -12.541 1.00 1.48 O ATOM 237 OE2 GLU A 17 3.372 -0.378 -12.313 1.00 2.00 O ATOM 0 H GLU A 17 4.773 -3.898 -8.191 1.00 0.23 H new ATOM 0 HA GLU A 17 6.426 -4.048 -10.539 1.00 0.29 H new ATOM 0 HB2 GLU A 17 3.915 -3.670 -10.424 1.00 0.38 H new ATOM 0 HB3 GLU A 17 4.237 -2.095 -9.726 1.00 0.38 H new ATOM 0 HG2 GLU A 17 5.542 -1.514 -11.797 1.00 0.63 H new ATOM 0 HG3 GLU A 17 5.039 -3.043 -12.490 1.00 0.63 H new ATOM 244 N ILE A 18 6.608 -1.406 -8.550 1.00 0.23 N ATOM 245 CA ILE A 18 7.372 -0.187 -8.270 1.00 0.25 C ATOM 246 C ILE A 18 8.563 -0.440 -7.307 1.00 0.25 C ATOM 247 O ILE A 18 9.700 -0.105 -7.621 1.00 0.28 O ATOM 248 CB ILE A 18 6.422 0.870 -7.654 1.00 0.25 C ATOM 249 CG1 ILE A 18 5.239 1.125 -8.591 1.00 0.27 C ATOM 250 CG2 ILE A 18 7.174 2.167 -7.447 1.00 0.28 C ATOM 251 CD1 ILE A 18 4.094 1.873 -7.967 1.00 0.28 C ATOM 0 H ILE A 18 5.828 -1.568 -7.913 1.00 0.23 H new ATOM 0 HA ILE A 18 7.790 0.169 -9.212 1.00 0.25 H new ATOM 0 HB ILE A 18 6.053 0.497 -6.699 1.00 0.25 H new ATOM 0 HG12 ILE A 18 5.593 1.685 -9.457 1.00 0.27 H new ATOM 0 HG13 ILE A 18 4.872 0.167 -8.960 1.00 0.27 H new ATOM 0 HG21 ILE A 18 6.505 2.910 -7.014 1.00 0.28 H new ATOM 0 HG22 ILE A 18 8.013 1.997 -6.773 1.00 0.28 H new ATOM 0 HG23 ILE A 18 7.546 2.529 -8.406 1.00 0.28 H new ATOM 0 HD11 ILE A 18 3.302 2.008 -8.704 1.00 0.28 H new ATOM 0 HD12 ILE A 18 3.708 1.307 -7.119 1.00 0.28 H new ATOM 0 HD13 ILE A 18 4.440 2.848 -7.624 1.00 0.28 H new ATOM 263 N ALA A 19 8.289 -1.031 -6.154 1.00 0.23 N ATOM 264 CA ALA A 19 9.319 -1.308 -5.141 1.00 0.26 C ATOM 265 C ALA A 19 10.186 -2.473 -5.595 1.00 0.26 C ATOM 266 O ALA A 19 11.390 -2.497 -5.379 1.00 0.34 O ATOM 267 CB ALA A 19 8.645 -1.703 -3.847 1.00 0.28 C ATOM 0 H ALA A 19 7.353 -1.335 -5.886 1.00 0.23 H new ATOM 0 HA ALA A 19 9.931 -0.417 -5.002 1.00 0.26 H new ATOM 0 HB1 ALA A 19 9.402 -1.910 -3.091 1.00 0.28 H new ATOM 0 HB2 ALA A 19 8.005 -0.889 -3.507 1.00 0.28 H new ATOM 0 HB3 ALA A 19 8.041 -2.596 -4.009 1.00 0.28 H new ATOM 273 N GLY A 20 9.537 -3.440 -6.228 1.00 0.23 N ATOM 274 CA GLY A 20 10.194 -4.642 -6.695 1.00 0.26 C ATOM 275 C GLY A 20 10.181 -5.710 -5.628 1.00 0.29 C ATOM 276 O GLY A 20 11.022 -6.602 -5.612 1.00 0.46 O ATOM 0 H GLY A 20 8.538 -3.408 -6.430 1.00 0.23 H new ATOM 0 HA2 GLY A 20 9.694 -5.010 -7.591 1.00 0.26 H new ATOM 0 HA3 GLY A 20 11.222 -4.414 -6.975 1.00 0.26 H new ATOM 280 N ILE A 21 9.215 -5.629 -4.745 1.00 0.27 N ATOM 281 CA ILE A 21 9.133 -6.547 -3.628 1.00 0.30 C ATOM 282 C ILE A 21 8.119 -7.647 -3.908 1.00 0.28 C ATOM 283 O ILE A 21 7.034 -7.364 -4.410 1.00 0.28 O ATOM 284 CB ILE A 21 8.765 -5.800 -2.304 1.00 0.32 C ATOM 285 CG1 ILE A 21 9.806 -4.714 -1.994 1.00 0.37 C ATOM 286 CG2 ILE A 21 8.620 -6.762 -1.121 1.00 0.36 C ATOM 287 CD1 ILE A 21 11.222 -5.233 -1.885 1.00 0.42 C ATOM 0 H ILE A 21 8.469 -4.934 -4.777 1.00 0.27 H new ATOM 0 HA ILE A 21 10.116 -7.000 -3.501 1.00 0.30 H new ATOM 0 HB ILE A 21 7.795 -5.327 -2.455 1.00 0.32 H new ATOM 0 HG12 ILE A 21 9.767 -3.955 -2.775 1.00 0.37 H new ATOM 0 HG13 ILE A 21 9.537 -4.223 -1.059 1.00 0.37 H new ATOM 0 HG21 ILE A 21 8.364 -6.199 -0.223 1.00 0.36 H new ATOM 0 HG22 ILE A 21 7.831 -7.484 -1.334 1.00 0.36 H new ATOM 0 HG23 ILE A 21 9.561 -7.289 -0.963 1.00 0.36 H new ATOM 0 HD11 ILE A 21 11.897 -4.406 -1.665 1.00 0.42 H new ATOM 0 HD12 ILE A 21 11.279 -5.970 -1.084 1.00 0.42 H new ATOM 0 HD13 ILE A 21 11.513 -5.697 -2.827 1.00 0.42 H new ATOM 299 N PRO A 22 8.523 -8.924 -3.684 1.00 0.31 N ATOM 300 CA PRO A 22 7.680 -10.112 -3.761 1.00 0.34 C ATOM 301 C PRO A 22 6.248 -9.893 -3.350 1.00 0.30 C ATOM 302 O PRO A 22 5.956 -9.427 -2.235 1.00 0.28 O ATOM 303 CB PRO A 22 8.370 -11.086 -2.789 1.00 0.39 C ATOM 304 CG PRO A 22 9.668 -10.433 -2.412 1.00 0.41 C ATOM 305 CD PRO A 22 9.882 -9.333 -3.394 1.00 0.36 C ATOM 0 HA PRO A 22 7.599 -10.464 -4.790 1.00 0.34 H new ATOM 0 HB2 PRO A 22 7.752 -11.265 -1.909 1.00 0.39 H new ATOM 0 HB3 PRO A 22 8.541 -12.054 -3.260 1.00 0.39 H new ATOM 0 HG2 PRO A 22 9.627 -10.044 -1.395 1.00 0.41 H new ATOM 0 HG3 PRO A 22 10.488 -11.150 -2.446 1.00 0.41 H new ATOM 0 HD2 PRO A 22 10.473 -8.519 -2.974 1.00 0.36 H new ATOM 0 HD3 PRO A 22 10.404 -9.678 -4.286 1.00 0.36 H new ATOM 313 N VAL A 23 5.362 -10.272 -4.253 1.00 0.31 N ATOM 314 CA VAL A 23 3.919 -10.185 -4.068 1.00 0.29 C ATOM 315 C VAL A 23 3.510 -10.976 -2.831 1.00 0.29 C ATOM 316 O VAL A 23 2.572 -10.627 -2.130 1.00 0.42 O ATOM 317 CB VAL A 23 3.175 -10.757 -5.325 1.00 0.36 C ATOM 318 CG1 VAL A 23 1.657 -10.745 -5.164 1.00 0.69 C ATOM 319 CG2 VAL A 23 3.565 -9.988 -6.569 1.00 0.41 C ATOM 0 H VAL A 23 5.629 -10.659 -5.158 1.00 0.31 H new ATOM 0 HA VAL A 23 3.644 -9.138 -3.939 1.00 0.29 H new ATOM 0 HB VAL A 23 3.485 -11.797 -5.425 1.00 0.36 H new ATOM 0 HG11 VAL A 23 1.193 -11.151 -6.063 1.00 0.69 H new ATOM 0 HG12 VAL A 23 1.377 -11.354 -4.304 1.00 0.69 H new ATOM 0 HG13 VAL A 23 1.316 -9.721 -5.010 1.00 0.69 H new ATOM 0 HG21 VAL A 23 3.039 -10.399 -7.431 1.00 0.41 H new ATOM 0 HG22 VAL A 23 3.297 -8.939 -6.447 1.00 0.41 H new ATOM 0 HG23 VAL A 23 4.640 -10.072 -6.726 1.00 0.41 H new ATOM 329 N GLU A 24 4.265 -12.002 -2.536 1.00 0.31 N ATOM 330 CA GLU A 24 3.938 -12.852 -1.446 1.00 0.36 C ATOM 331 C GLU A 24 4.822 -12.614 -0.218 1.00 0.35 C ATOM 332 O GLU A 24 4.817 -13.399 0.742 1.00 0.48 O ATOM 333 CB GLU A 24 3.863 -14.312 -1.878 1.00 0.55 C ATOM 334 CG GLU A 24 2.861 -14.514 -3.005 1.00 1.41 C ATOM 335 CD GLU A 24 2.686 -15.943 -3.415 1.00 1.82 C ATOM 336 OE1 GLU A 24 3.669 -16.559 -3.878 1.00 2.01 O ATOM 337 OE2 GLU A 24 1.588 -16.500 -3.227 1.00 2.34 O ATOM 0 H GLU A 24 5.111 -12.261 -3.043 1.00 0.31 H new ATOM 0 HA GLU A 24 2.935 -12.582 -1.116 1.00 0.36 H new ATOM 0 HB2 GLU A 24 4.848 -14.647 -2.203 1.00 0.55 H new ATOM 0 HB3 GLU A 24 3.581 -14.930 -1.025 1.00 0.55 H new ATOM 0 HG2 GLU A 24 1.895 -14.115 -2.695 1.00 1.41 H new ATOM 0 HG3 GLU A 24 3.182 -13.935 -3.871 1.00 1.41 H new ATOM 344 N ASP A 25 5.584 -11.538 -0.245 1.00 0.30 N ATOM 345 CA ASP A 25 6.300 -11.100 0.957 1.00 0.32 C ATOM 346 C ASP A 25 5.437 -10.024 1.569 1.00 0.29 C ATOM 347 O ASP A 25 5.426 -9.802 2.772 1.00 0.32 O ATOM 348 CB ASP A 25 7.697 -10.540 0.636 1.00 0.38 C ATOM 349 CG ASP A 25 8.566 -10.339 1.882 1.00 0.46 C ATOM 350 OD1 ASP A 25 9.276 -11.289 2.280 1.00 0.69 O ATOM 351 OD2 ASP A 25 8.573 -9.259 2.477 1.00 0.53 O ATOM 0 H ASP A 25 5.728 -10.953 -1.068 1.00 0.30 H new ATOM 0 HA ASP A 25 6.465 -11.941 1.630 1.00 0.32 H new ATOM 0 HB2 ASP A 25 8.205 -11.219 -0.048 1.00 0.38 H new ATOM 0 HB3 ASP A 25 7.589 -9.587 0.118 1.00 0.38 H new ATOM 356 N VAL A 26 4.666 -9.390 0.695 1.00 0.27 N ATOM 357 CA VAL A 26 3.696 -8.387 1.050 1.00 0.27 C ATOM 358 C VAL A 26 2.482 -9.062 1.698 1.00 0.29 C ATOM 359 O VAL A 26 1.556 -9.546 1.040 1.00 0.37 O ATOM 360 CB VAL A 26 3.287 -7.545 -0.195 1.00 0.29 C ATOM 361 CG1 VAL A 26 2.116 -6.643 0.114 1.00 0.40 C ATOM 362 CG2 VAL A 26 4.460 -6.690 -0.648 1.00 0.38 C ATOM 0 H VAL A 26 4.707 -9.572 -0.308 1.00 0.27 H new ATOM 0 HA VAL A 26 4.136 -7.697 1.770 1.00 0.27 H new ATOM 0 HB VAL A 26 2.998 -8.238 -0.985 1.00 0.29 H new ATOM 0 HG11 VAL A 26 1.855 -6.069 -0.775 1.00 0.40 H new ATOM 0 HG12 VAL A 26 1.262 -7.247 0.420 1.00 0.40 H new ATOM 0 HG13 VAL A 26 2.385 -5.961 0.921 1.00 0.40 H new ATOM 0 HG21 VAL A 26 4.168 -6.103 -1.519 1.00 0.38 H new ATOM 0 HG22 VAL A 26 4.754 -6.019 0.159 1.00 0.38 H new ATOM 0 HG23 VAL A 26 5.300 -7.334 -0.909 1.00 0.38 H new ATOM 372 N LYS A 27 2.606 -9.230 2.974 1.00 0.33 N ATOM 373 CA LYS A 27 1.586 -9.808 3.812 1.00 0.38 C ATOM 374 C LYS A 27 0.828 -8.682 4.472 1.00 0.43 C ATOM 375 O LYS A 27 0.602 -7.687 3.832 1.00 0.98 O ATOM 376 CB LYS A 27 2.271 -10.738 4.802 1.00 0.57 C ATOM 377 CG LYS A 27 3.088 -11.807 4.098 1.00 0.47 C ATOM 378 CD LYS A 27 3.835 -12.687 5.060 1.00 0.96 C ATOM 379 CE LYS A 27 4.727 -13.653 4.304 1.00 1.16 C ATOM 380 NZ LYS A 27 5.455 -14.554 5.212 1.00 1.67 N ATOM 0 H LYS A 27 3.446 -8.962 3.487 1.00 0.33 H new ATOM 0 HA LYS A 27 0.862 -10.400 3.252 1.00 0.38 H new ATOM 0 HB2 LYS A 27 2.920 -10.157 5.457 1.00 0.57 H new ATOM 0 HB3 LYS A 27 1.521 -11.212 5.435 1.00 0.57 H new ATOM 0 HG2 LYS A 27 2.427 -12.421 3.487 1.00 0.47 H new ATOM 0 HG3 LYS A 27 3.797 -11.331 3.421 1.00 0.47 H new ATOM 0 HD2 LYS A 27 4.437 -12.075 5.732 1.00 0.96 H new ATOM 0 HD3 LYS A 27 3.130 -13.241 5.680 1.00 0.96 H new ATOM 0 HE2 LYS A 27 4.122 -14.243 3.616 1.00 1.16 H new ATOM 0 HE3 LYS A 27 5.440 -13.092 3.701 1.00 1.16 H new ATOM 0 HZ1 LYS A 27 6.053 -15.198 4.656 1.00 1.67 H new ATOM 0 HZ2 LYS A 27 6.052 -13.993 5.852 1.00 1.67 H new ATOM 0 HZ3 LYS A 27 4.775 -15.108 5.770 1.00 1.67 H new ATOM 394 N LEU A 28 0.428 -8.816 5.713 1.00 0.37 N ATOM 395 CA LEU A 28 -0.368 -7.773 6.342 1.00 0.37 C ATOM 396 C LEU A 28 0.377 -7.132 7.528 1.00 0.41 C ATOM 397 O LEU A 28 0.133 -5.977 7.897 1.00 0.55 O ATOM 398 CB LEU A 28 -1.732 -8.356 6.729 1.00 0.51 C ATOM 399 CG LEU A 28 -2.830 -7.356 7.056 1.00 0.47 C ATOM 400 CD1 LEU A 28 -4.166 -7.968 6.753 1.00 1.08 C ATOM 401 CD2 LEU A 28 -2.803 -6.929 8.518 1.00 0.99 C ATOM 0 H LEU A 28 0.633 -9.621 6.305 1.00 0.37 H new ATOM 0 HA LEU A 28 -0.537 -6.959 5.637 1.00 0.37 H new ATOM 0 HB2 LEU A 28 -2.078 -8.987 5.910 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -1.593 -9.005 7.594 1.00 0.51 H new ATOM 0 HG LEU A 28 -2.660 -6.470 6.444 1.00 0.47 H new ATOM 0 HD11 LEU A 28 -4.955 -7.253 6.987 1.00 1.08 H new ATOM 0 HD12 LEU A 28 -4.215 -8.230 5.696 1.00 1.08 H new ATOM 0 HD13 LEU A 28 -4.300 -8.866 7.356 1.00 1.08 H new ATOM 0 HD21 LEU A 28 -3.605 -6.215 8.703 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -2.941 -7.803 9.155 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.844 -6.463 8.743 1.00 0.99 H new ATOM 413 N ASP A 29 1.340 -7.842 8.042 1.00 0.41 N ATOM 414 CA ASP A 29 2.148 -7.398 9.188 1.00 0.51 C ATOM 415 C ASP A 29 3.281 -6.513 8.698 1.00 0.45 C ATOM 416 O ASP A 29 3.933 -5.801 9.456 1.00 0.63 O ATOM 417 CB ASP A 29 2.751 -8.639 9.847 1.00 0.66 C ATOM 418 CG ASP A 29 3.536 -8.364 11.109 1.00 1.43 C ATOM 419 OD1 ASP A 29 4.723 -8.036 11.001 1.00 2.11 O ATOM 420 OD2 ASP A 29 2.960 -8.423 12.221 1.00 1.81 O ATOM 0 H ASP A 29 1.605 -8.761 7.687 1.00 0.41 H new ATOM 0 HA ASP A 29 1.528 -6.841 9.891 1.00 0.51 H new ATOM 0 HB2 ASP A 29 1.947 -9.337 10.080 1.00 0.66 H new ATOM 0 HB3 ASP A 29 3.405 -9.134 9.129 1.00 0.66 H new ATOM 425 N LYS A 30 3.453 -6.532 7.417 1.00 0.31 N ATOM 426 CA LYS A 30 4.593 -5.929 6.751 1.00 0.30 C ATOM 427 C LYS A 30 4.564 -4.406 6.697 1.00 0.28 C ATOM 428 O LYS A 30 3.645 -3.790 6.150 1.00 0.35 O ATOM 429 CB LYS A 30 4.702 -6.489 5.350 1.00 0.33 C ATOM 430 CG LYS A 30 5.119 -7.943 5.292 1.00 0.37 C ATOM 431 CD LYS A 30 6.611 -8.075 5.512 1.00 0.38 C ATOM 432 CE LYS A 30 7.080 -9.514 5.407 1.00 0.48 C ATOM 433 NZ LYS A 30 8.530 -9.576 5.174 1.00 1.02 N ATOM 0 H LYS A 30 2.795 -6.975 6.776 1.00 0.31 H new ATOM 0 HA LYS A 30 5.467 -6.184 7.351 1.00 0.30 H new ATOM 0 HB2 LYS A 30 3.739 -6.379 4.851 1.00 0.33 H new ATOM 0 HB3 LYS A 30 5.422 -5.894 4.788 1.00 0.33 H new ATOM 0 HG2 LYS A 30 4.582 -8.512 6.051 1.00 0.37 H new ATOM 0 HG3 LYS A 30 4.849 -8.367 4.325 1.00 0.37 H new ATOM 0 HD2 LYS A 30 7.140 -7.468 4.778 1.00 0.38 H new ATOM 0 HD3 LYS A 30 6.868 -7.682 6.496 1.00 0.38 H new ATOM 0 HE2 LYS A 30 6.831 -10.050 6.323 1.00 0.48 H new ATOM 0 HE3 LYS A 30 6.555 -10.014 4.593 1.00 0.48 H new ATOM 0 HZ1 LYS A 30 8.856 -10.559 5.274 1.00 1.02 H new ATOM 0 HZ2 LYS A 30 8.742 -9.237 4.214 1.00 1.02 H new ATOM 0 HZ3 LYS A 30 9.019 -8.977 5.869 1.00 1.02 H new ATOM 447 N SER A 31 5.547 -3.801 7.267 1.00 0.26 N ATOM 448 CA SER A 31 5.729 -2.422 7.120 1.00 0.28 C ATOM 449 C SER A 31 6.401 -2.187 5.756 1.00 0.43 C ATOM 450 O SER A 31 7.531 -2.642 5.557 1.00 1.05 O ATOM 451 CB SER A 31 6.623 -1.938 8.249 1.00 0.28 C ATOM 452 OG SER A 31 6.089 -2.301 9.523 1.00 1.16 O ATOM 0 H SER A 31 6.245 -4.263 7.850 1.00 0.26 H new ATOM 0 HA SER A 31 4.785 -1.879 7.160 1.00 0.28 H new ATOM 0 HB2 SER A 31 7.620 -2.364 8.135 1.00 0.28 H new ATOM 0 HB3 SER A 31 6.731 -0.855 8.192 1.00 0.28 H new ATOM 0 HG SER A 31 6.685 -1.979 10.231 1.00 1.16 H new ATOM 458 N PHE A 32 5.640 -1.615 4.799 1.00 0.26 N ATOM 459 CA PHE A 32 6.135 -1.213 3.449 1.00 0.25 C ATOM 460 C PHE A 32 7.606 -0.775 3.426 1.00 0.26 C ATOM 461 O PHE A 32 8.512 -1.587 3.204 1.00 0.32 O ATOM 462 CB PHE A 32 5.284 -0.076 2.864 1.00 0.32 C ATOM 463 CG PHE A 32 3.959 -0.466 2.313 1.00 0.26 C ATOM 464 CD1 PHE A 32 3.866 -1.219 1.167 1.00 0.33 C ATOM 465 CD2 PHE A 32 2.800 -0.099 2.960 1.00 0.26 C ATOM 466 CE1 PHE A 32 2.640 -1.601 0.674 1.00 0.36 C ATOM 467 CE2 PHE A 32 1.571 -0.473 2.467 1.00 0.28 C ATOM 468 CZ PHE A 32 1.501 -1.154 1.250 1.00 0.32 C ATOM 0 H PHE A 32 4.650 -1.413 4.936 1.00 0.26 H new ATOM 0 HA PHE A 32 6.048 -2.115 2.843 1.00 0.25 H new ATOM 0 HB2 PHE A 32 5.125 0.669 3.643 1.00 0.32 H new ATOM 0 HB3 PHE A 32 5.856 0.408 2.072 1.00 0.32 H new ATOM 0 HD1 PHE A 32 4.766 -1.514 0.648 1.00 0.33 H new ATOM 0 HD2 PHE A 32 2.856 0.489 3.864 1.00 0.26 H new ATOM 0 HE1 PHE A 32 2.587 -2.262 -0.178 1.00 0.36 H new ATOM 0 HE2 PHE A 32 0.670 -0.242 3.016 1.00 0.28 H new ATOM 0 HZ PHE A 32 0.547 -1.322 0.773 1.00 0.32 H new ATOM 478 N THR A 33 7.833 0.477 3.639 1.00 0.27 N ATOM 479 CA THR A 33 9.143 1.047 3.697 1.00 0.31 C ATOM 480 C THR A 33 9.880 0.740 5.015 1.00 0.33 C ATOM 481 O THR A 33 10.267 1.650 5.753 1.00 0.47 O ATOM 482 CB THR A 33 8.986 2.531 3.507 1.00 0.37 C ATOM 483 OG1 THR A 33 7.570 2.849 3.694 1.00 0.47 O ATOM 484 CG2 THR A 33 9.426 2.930 2.116 1.00 0.39 C ATOM 0 H THR A 33 7.088 1.158 3.783 1.00 0.27 H new ATOM 0 HA THR A 33 9.760 0.605 2.914 1.00 0.31 H new ATOM 0 HB THR A 33 9.602 3.075 4.223 1.00 0.37 H new ATOM 0 HG1 THR A 33 7.343 2.783 4.645 1.00 0.47 H new ATOM 0 HG21 THR A 33 9.307 4.006 1.992 1.00 0.39 H new ATOM 0 HG22 THR A 33 10.473 2.662 1.975 1.00 0.39 H new ATOM 0 HG23 THR A 33 8.815 2.410 1.378 1.00 0.39 H new ATOM 492 N ASP A 34 10.055 -0.541 5.298 1.00 0.34 N ATOM 493 CA ASP A 34 10.775 -0.994 6.481 1.00 0.39 C ATOM 494 C ASP A 34 11.084 -2.476 6.408 1.00 0.42 C ATOM 495 O ASP A 34 12.233 -2.867 6.321 1.00 0.57 O ATOM 496 CB ASP A 34 10.001 -0.690 7.765 1.00 0.43 C ATOM 497 CG ASP A 34 10.675 -1.256 9.001 1.00 0.59 C ATOM 498 OD1 ASP A 34 11.714 -0.705 9.432 1.00 0.72 O ATOM 499 OD2 ASP A 34 10.209 -2.281 9.527 1.00 0.73 O ATOM 0 H ASP A 34 9.702 -1.299 4.714 1.00 0.34 H new ATOM 0 HA ASP A 34 11.714 -0.442 6.505 1.00 0.39 H new ATOM 0 HB2 ASP A 34 9.897 0.389 7.875 1.00 0.43 H new ATOM 0 HB3 ASP A 34 8.995 -1.101 7.684 1.00 0.43 H new ATOM 504 N ASP A 35 10.056 -3.301 6.409 1.00 0.36 N ATOM 505 CA ASP A 35 10.265 -4.747 6.426 1.00 0.43 C ATOM 506 C ASP A 35 10.376 -5.242 5.013 1.00 0.44 C ATOM 507 O ASP A 35 11.264 -6.037 4.677 1.00 0.58 O ATOM 508 CB ASP A 35 9.122 -5.474 7.118 1.00 0.48 C ATOM 509 CG ASP A 35 9.562 -6.827 7.638 1.00 0.95 C ATOM 510 OD1 ASP A 35 9.503 -7.827 6.899 1.00 1.34 O ATOM 511 OD2 ASP A 35 9.986 -6.896 8.801 1.00 1.46 O ATOM 0 H ASP A 35 9.079 -3.008 6.398 1.00 0.36 H new ATOM 0 HA ASP A 35 11.181 -4.950 6.982 1.00 0.43 H new ATOM 0 HB2 ASP A 35 8.751 -4.868 7.944 1.00 0.48 H new ATOM 0 HB3 ASP A 35 8.295 -5.602 6.420 1.00 0.48 H new ATOM 516 N LEU A 36 9.466 -4.759 4.176 1.00 0.36 N ATOM 517 CA LEU A 36 9.482 -5.067 2.756 1.00 0.39 C ATOM 518 C LEU A 36 10.673 -4.371 2.156 1.00 0.46 C ATOM 519 O LEU A 36 11.458 -4.966 1.424 1.00 0.58 O ATOM 520 CB LEU A 36 8.210 -4.542 2.075 1.00 0.35 C ATOM 521 CG LEU A 36 6.885 -5.122 2.551 1.00 0.33 C ATOM 522 CD1 LEU A 36 5.730 -4.412 1.872 1.00 0.35 C ATOM 523 CD2 LEU A 36 6.827 -6.597 2.244 1.00 0.34 C ATOM 0 H LEU A 36 8.702 -4.147 4.462 1.00 0.36 H new ATOM 0 HA LEU A 36 9.533 -6.146 2.613 1.00 0.39 H new ATOM 0 HB2 LEU A 36 8.175 -3.461 2.209 1.00 0.35 H new ATOM 0 HB3 LEU A 36 8.297 -4.728 1.004 1.00 0.35 H new ATOM 0 HG LEU A 36 6.807 -4.978 3.629 1.00 0.33 H new ATOM 0 HD11 LEU A 36 4.788 -4.835 2.220 1.00 0.35 H new ATOM 0 HD12 LEU A 36 5.763 -3.350 2.115 1.00 0.35 H new ATOM 0 HD13 LEU A 36 5.808 -4.540 0.792 1.00 0.35 H new ATOM 0 HD21 LEU A 36 5.876 -7.003 2.588 1.00 0.34 H new ATOM 0 HD22 LEU A 36 6.919 -6.749 1.168 1.00 0.34 H new ATOM 0 HD23 LEU A 36 7.645 -7.107 2.753 1.00 0.34 H new ATOM 535 N ASP A 37 10.782 -3.103 2.513 1.00 0.41 N ATOM 536 CA ASP A 37 11.838 -2.204 2.104 1.00 0.52 C ATOM 537 C ASP A 37 11.680 -1.823 0.656 1.00 0.63 C ATOM 538 O ASP A 37 12.139 -2.499 -0.265 1.00 0.85 O ATOM 539 CB ASP A 37 13.246 -2.694 2.455 1.00 0.75 C ATOM 540 CG ASP A 37 14.295 -1.664 2.137 1.00 0.91 C ATOM 541 OD1 ASP A 37 14.231 -0.547 2.671 1.00 1.02 O ATOM 542 OD2 ASP A 37 15.224 -1.959 1.345 1.00 1.14 O ATOM 0 H ASP A 37 10.101 -2.654 3.126 1.00 0.41 H new ATOM 0 HA ASP A 37 11.727 -1.296 2.697 1.00 0.52 H new ATOM 0 HB2 ASP A 37 13.290 -2.941 3.516 1.00 0.75 H new ATOM 0 HB3 ASP A 37 13.459 -3.611 1.905 1.00 0.75 H new ATOM 547 N VAL A 38 10.978 -0.753 0.487 1.00 0.56 N ATOM 548 CA VAL A 38 10.577 -0.239 -0.786 1.00 0.80 C ATOM 549 C VAL A 38 11.611 0.799 -1.241 1.00 0.70 C ATOM 550 O VAL A 38 12.622 0.452 -1.860 1.00 0.96 O ATOM 551 CB VAL A 38 9.128 0.386 -0.651 1.00 1.06 C ATOM 552 CG1 VAL A 38 8.636 1.053 -1.929 1.00 0.89 C ATOM 553 CG2 VAL A 38 8.133 -0.685 -0.215 1.00 1.79 C ATOM 0 H VAL A 38 10.651 -0.184 1.268 1.00 0.56 H new ATOM 0 HA VAL A 38 10.533 -1.027 -1.538 1.00 0.80 H new ATOM 0 HB VAL A 38 9.200 1.167 0.106 1.00 1.06 H new ATOM 0 HG11 VAL A 38 7.638 1.460 -1.766 1.00 0.89 H new ATOM 0 HG12 VAL A 38 9.316 1.859 -2.204 1.00 0.89 H new ATOM 0 HG13 VAL A 38 8.602 0.318 -2.733 1.00 0.89 H new ATOM 0 HG21 VAL A 38 7.140 -0.244 -0.125 1.00 1.79 H new ATOM 0 HG22 VAL A 38 8.110 -1.484 -0.956 1.00 1.79 H new ATOM 0 HG23 VAL A 38 8.437 -1.093 0.749 1.00 1.79 H new ATOM 563 N ASP A 39 11.368 2.038 -0.881 1.00 0.50 N ATOM 564 CA ASP A 39 12.192 3.187 -1.195 1.00 0.50 C ATOM 565 C ASP A 39 11.372 4.365 -0.757 1.00 0.53 C ATOM 566 O ASP A 39 10.173 4.222 -0.505 1.00 0.78 O ATOM 567 CB ASP A 39 12.442 3.338 -2.691 1.00 0.56 C ATOM 568 CG ASP A 39 13.591 4.242 -3.042 1.00 0.66 C ATOM 569 OD1 ASP A 39 13.433 5.461 -2.979 1.00 0.69 O ATOM 570 OD2 ASP A 39 14.686 3.726 -3.335 1.00 0.79 O ATOM 0 H ASP A 39 10.546 2.287 -0.331 1.00 0.50 H new ATOM 0 HA ASP A 39 13.165 3.094 -0.712 1.00 0.50 H new ATOM 0 HB2 ASP A 39 12.628 2.352 -3.117 1.00 0.56 H new ATOM 0 HB3 ASP A 39 11.537 3.722 -3.161 1.00 0.56 H new ATOM 575 N SER A 40 11.943 5.486 -0.786 1.00 0.59 N ATOM 576 CA SER A 40 11.354 6.694 -0.281 1.00 0.68 C ATOM 577 C SER A 40 10.433 7.256 -1.348 1.00 0.64 C ATOM 578 O SER A 40 9.296 7.637 -1.093 1.00 0.71 O ATOM 579 CB SER A 40 12.500 7.667 -0.023 1.00 0.90 C ATOM 580 OG SER A 40 13.709 6.870 0.239 1.00 1.23 O ATOM 0 H SER A 40 12.876 5.622 -1.174 1.00 0.59 H new ATOM 0 HA SER A 40 10.783 6.522 0.631 1.00 0.68 H new ATOM 0 HB2 SER A 40 12.650 8.319 -0.884 1.00 0.90 H new ATOM 0 HB3 SER A 40 12.273 8.309 0.828 1.00 0.90 H new ATOM 0 HG SER A 40 14.466 7.469 0.407 1.00 1.23 H new ATOM 585 N LEU A 41 10.930 7.219 -2.550 1.00 0.60 N ATOM 586 CA LEU A 41 10.255 7.796 -3.702 1.00 0.64 C ATOM 587 C LEU A 41 9.296 6.796 -4.305 1.00 0.54 C ATOM 588 O LEU A 41 8.196 7.140 -4.743 1.00 0.60 O ATOM 589 CB LEU A 41 11.285 8.251 -4.733 1.00 0.75 C ATOM 590 CG LEU A 41 12.277 9.317 -4.254 1.00 0.89 C ATOM 591 CD1 LEU A 41 13.280 9.629 -5.344 1.00 1.02 C ATOM 592 CD2 LEU A 41 11.546 10.583 -3.824 1.00 1.02 C ATOM 0 H LEU A 41 11.826 6.785 -2.772 1.00 0.60 H new ATOM 0 HA LEU A 41 9.680 8.664 -3.380 1.00 0.64 H new ATOM 0 HB2 LEU A 41 11.849 7.379 -5.066 1.00 0.75 H new ATOM 0 HB3 LEU A 41 10.755 8.639 -5.603 1.00 0.75 H new ATOM 0 HG LEU A 41 12.812 8.924 -3.390 1.00 0.89 H new ATOM 0 HD11 LEU A 41 13.978 10.388 -4.990 1.00 1.02 H new ATOM 0 HD12 LEU A 41 13.829 8.724 -5.603 1.00 1.02 H new ATOM 0 HD13 LEU A 41 12.756 10.001 -6.225 1.00 1.02 H new ATOM 0 HD21 LEU A 41 12.270 11.325 -3.488 1.00 1.02 H new ATOM 0 HD22 LEU A 41 10.982 10.982 -4.667 1.00 1.02 H new ATOM 0 HD23 LEU A 41 10.862 10.349 -3.009 1.00 1.02 H new ATOM 604 N SER A 42 9.705 5.542 -4.256 1.00 0.43 N ATOM 605 CA SER A 42 8.943 4.418 -4.778 1.00 0.38 C ATOM 606 C SER A 42 7.623 4.326 -4.015 1.00 0.30 C ATOM 607 O SER A 42 6.585 3.973 -4.563 1.00 0.33 O ATOM 608 CB SER A 42 9.781 3.144 -4.587 1.00 0.39 C ATOM 609 OG SER A 42 9.226 2.011 -5.190 1.00 1.02 O ATOM 0 H SER A 42 10.597 5.268 -3.843 1.00 0.43 H new ATOM 0 HA SER A 42 8.722 4.544 -5.838 1.00 0.38 H new ATOM 0 HB2 SER A 42 10.778 3.311 -4.995 1.00 0.39 H new ATOM 0 HB3 SER A 42 9.901 2.955 -3.520 1.00 0.39 H new ATOM 0 HG SER A 42 9.788 1.733 -5.943 1.00 1.02 H new ATOM 615 N MET A 43 7.680 4.733 -2.759 1.00 0.26 N ATOM 616 CA MET A 43 6.546 4.751 -1.878 1.00 0.26 C ATOM 617 C MET A 43 5.431 5.664 -2.405 1.00 0.25 C ATOM 618 O MET A 43 4.258 5.318 -2.366 1.00 0.26 O ATOM 619 CB MET A 43 6.996 5.248 -0.521 1.00 0.35 C ATOM 620 CG MET A 43 5.886 5.276 0.482 1.00 0.48 C ATOM 621 SD MET A 43 4.995 3.706 0.541 1.00 0.55 S ATOM 622 CE MET A 43 6.345 2.597 0.797 1.00 0.52 C ATOM 0 H MET A 43 8.540 5.066 -2.322 1.00 0.26 H new ATOM 0 HA MET A 43 6.146 3.739 -1.811 1.00 0.26 H new ATOM 0 HB2 MET A 43 7.797 4.608 -0.152 1.00 0.35 H new ATOM 0 HB3 MET A 43 7.411 6.250 -0.625 1.00 0.35 H new ATOM 0 HG2 MET A 43 6.293 5.500 1.468 1.00 0.48 H new ATOM 0 HG3 MET A 43 5.192 6.079 0.233 1.00 0.48 H new ATOM 0 HE1 MET A 43 6.288 1.782 0.076 1.00 0.52 H new ATOM 0 HE2 MET A 43 7.285 3.132 0.666 1.00 0.52 H new ATOM 0 HE3 MET A 43 6.296 2.192 1.808 1.00 0.52 H new ATOM 632 N VAL A 44 5.822 6.796 -2.954 1.00 0.29 N ATOM 633 CA VAL A 44 4.889 7.800 -3.420 1.00 0.33 C ATOM 634 C VAL A 44 4.180 7.302 -4.672 1.00 0.26 C ATOM 635 O VAL A 44 3.013 7.624 -4.919 1.00 0.28 O ATOM 636 CB VAL A 44 5.625 9.137 -3.704 1.00 0.47 C ATOM 637 CG1 VAL A 44 4.648 10.251 -4.071 1.00 0.55 C ATOM 638 CG2 VAL A 44 6.475 9.536 -2.502 1.00 0.56 C ATOM 0 H VAL A 44 6.801 7.046 -3.090 1.00 0.29 H new ATOM 0 HA VAL A 44 4.146 7.981 -2.643 1.00 0.33 H new ATOM 0 HB VAL A 44 6.279 8.984 -4.562 1.00 0.47 H new ATOM 0 HG11 VAL A 44 5.200 11.171 -4.263 1.00 0.55 H new ATOM 0 HG12 VAL A 44 4.093 9.968 -4.965 1.00 0.55 H new ATOM 0 HG13 VAL A 44 3.952 10.411 -3.247 1.00 0.55 H new ATOM 0 HG21 VAL A 44 6.986 10.475 -2.714 1.00 0.56 H new ATOM 0 HG22 VAL A 44 5.835 9.660 -1.629 1.00 0.56 H new ATOM 0 HG23 VAL A 44 7.212 8.758 -2.304 1.00 0.56 H new ATOM 648 N GLU A 45 4.869 6.468 -5.423 1.00 0.24 N ATOM 649 CA GLU A 45 4.328 5.883 -6.607 1.00 0.22 C ATOM 650 C GLU A 45 3.296 4.848 -6.182 1.00 0.19 C ATOM 651 O GLU A 45 2.232 4.754 -6.772 1.00 0.21 O ATOM 652 CB GLU A 45 5.446 5.223 -7.377 1.00 0.29 C ATOM 653 CG GLU A 45 6.640 6.125 -7.635 1.00 0.47 C ATOM 654 CD GLU A 45 6.370 7.222 -8.625 1.00 1.18 C ATOM 655 OE1 GLU A 45 5.751 8.227 -8.230 1.00 2.08 O ATOM 656 OE2 GLU A 45 6.735 7.105 -9.798 1.00 1.25 O ATOM 0 H GLU A 45 5.826 6.182 -5.217 1.00 0.24 H new ATOM 0 HA GLU A 45 3.859 6.634 -7.243 1.00 0.22 H new ATOM 0 HB2 GLU A 45 5.781 4.344 -6.827 1.00 0.29 H new ATOM 0 HB3 GLU A 45 5.056 4.872 -8.333 1.00 0.29 H new ATOM 0 HG2 GLU A 45 6.958 6.570 -6.692 1.00 0.47 H new ATOM 0 HG3 GLU A 45 7.470 5.518 -7.997 1.00 0.47 H new ATOM 663 N VAL A 46 3.633 4.093 -5.120 1.00 0.20 N ATOM 664 CA VAL A 46 2.725 3.105 -4.519 1.00 0.22 C ATOM 665 C VAL A 46 1.422 3.793 -4.114 1.00 0.25 C ATOM 666 O VAL A 46 0.346 3.319 -4.455 1.00 0.31 O ATOM 667 CB VAL A 46 3.374 2.409 -3.274 1.00 0.27 C ATOM 668 CG1 VAL A 46 2.389 1.465 -2.588 1.00 0.52 C ATOM 669 CG2 VAL A 46 4.618 1.634 -3.687 1.00 0.49 C ATOM 0 H VAL A 46 4.540 4.152 -4.657 1.00 0.20 H new ATOM 0 HA VAL A 46 2.521 2.332 -5.260 1.00 0.22 H new ATOM 0 HB VAL A 46 3.652 3.191 -2.568 1.00 0.27 H new ATOM 0 HG11 VAL A 46 2.871 0.999 -1.729 1.00 0.52 H new ATOM 0 HG12 VAL A 46 1.518 2.028 -2.254 1.00 0.52 H new ATOM 0 HG13 VAL A 46 2.075 0.693 -3.291 1.00 0.52 H new ATOM 0 HG21 VAL A 46 5.057 1.157 -2.811 1.00 0.49 H new ATOM 0 HG22 VAL A 46 4.346 0.872 -4.418 1.00 0.49 H new ATOM 0 HG23 VAL A 46 5.343 2.318 -4.129 1.00 0.49 H new ATOM 679 N VAL A 47 1.549 4.907 -3.390 1.00 0.25 N ATOM 680 CA VAL A 47 0.402 5.736 -2.983 1.00 0.28 C ATOM 681 C VAL A 47 -0.479 6.043 -4.208 1.00 0.27 C ATOM 682 O VAL A 47 -1.629 5.615 -4.273 1.00 0.30 O ATOM 683 CB VAL A 47 0.898 7.075 -2.360 1.00 0.31 C ATOM 684 CG1 VAL A 47 -0.270 7.972 -1.971 1.00 0.38 C ATOM 685 CG2 VAL A 47 1.774 6.809 -1.147 1.00 0.32 C ATOM 0 H VAL A 47 2.448 5.264 -3.067 1.00 0.25 H new ATOM 0 HA VAL A 47 -0.178 5.188 -2.241 1.00 0.28 H new ATOM 0 HB VAL A 47 1.488 7.591 -3.118 1.00 0.31 H new ATOM 0 HG11 VAL A 47 0.110 8.898 -1.539 1.00 0.38 H new ATOM 0 HG12 VAL A 47 -0.863 8.201 -2.856 1.00 0.38 H new ATOM 0 HG13 VAL A 47 -0.894 7.460 -1.239 1.00 0.38 H new ATOM 0 HG21 VAL A 47 2.110 7.757 -0.726 1.00 0.32 H new ATOM 0 HG22 VAL A 47 1.202 6.262 -0.398 1.00 0.32 H new ATOM 0 HG23 VAL A 47 2.639 6.217 -1.446 1.00 0.32 H new ATOM 695 N VAL A 48 0.091 6.761 -5.166 1.00 0.25 N ATOM 696 CA VAL A 48 -0.604 7.117 -6.423 1.00 0.28 C ATOM 697 C VAL A 48 -1.222 5.874 -7.138 1.00 0.28 C ATOM 698 O VAL A 48 -2.385 5.901 -7.558 1.00 0.31 O ATOM 699 CB VAL A 48 0.365 7.860 -7.392 1.00 0.35 C ATOM 700 CG1 VAL A 48 -0.305 8.164 -8.725 1.00 0.56 C ATOM 701 CG2 VAL A 48 0.849 9.151 -6.756 1.00 0.58 C ATOM 0 H VAL A 48 1.045 7.118 -5.107 1.00 0.25 H new ATOM 0 HA VAL A 48 -1.426 7.779 -6.151 1.00 0.28 H new ATOM 0 HB VAL A 48 1.215 7.204 -7.581 1.00 0.35 H new ATOM 0 HG11 VAL A 48 0.399 8.682 -9.376 1.00 0.56 H new ATOM 0 HG12 VAL A 48 -0.617 7.232 -9.196 1.00 0.56 H new ATOM 0 HG13 VAL A 48 -1.177 8.796 -8.558 1.00 0.56 H new ATOM 0 HG21 VAL A 48 1.525 9.663 -7.441 1.00 0.58 H new ATOM 0 HG22 VAL A 48 -0.005 9.794 -6.542 1.00 0.58 H new ATOM 0 HG23 VAL A 48 1.375 8.925 -5.828 1.00 0.58 H new ATOM 711 N ALA A 49 -0.451 4.804 -7.269 1.00 0.29 N ATOM 712 CA ALA A 49 -0.913 3.593 -7.945 1.00 0.34 C ATOM 713 C ALA A 49 -2.031 2.881 -7.172 1.00 0.36 C ATOM 714 O ALA A 49 -2.856 2.181 -7.764 1.00 0.42 O ATOM 715 CB ALA A 49 0.240 2.648 -8.212 1.00 0.38 C ATOM 0 H ALA A 49 0.504 4.747 -6.915 1.00 0.29 H new ATOM 0 HA ALA A 49 -1.335 3.907 -8.900 1.00 0.34 H new ATOM 0 HB1 ALA A 49 -0.131 1.755 -8.716 1.00 0.38 H new ATOM 0 HB2 ALA A 49 0.977 3.142 -8.845 1.00 0.38 H new ATOM 0 HB3 ALA A 49 0.705 2.365 -7.268 1.00 0.38 H new ATOM 721 N ALA A 50 -2.079 3.070 -5.867 1.00 0.34 N ATOM 722 CA ALA A 50 -3.120 2.474 -5.043 1.00 0.37 C ATOM 723 C ALA A 50 -4.467 3.084 -5.386 1.00 0.36 C ATOM 724 O ALA A 50 -5.488 2.394 -5.421 1.00 0.38 O ATOM 725 CB ALA A 50 -2.812 2.652 -3.571 1.00 0.38 C ATOM 0 H ALA A 50 -1.406 3.635 -5.350 1.00 0.34 H new ATOM 0 HA ALA A 50 -3.156 1.404 -5.250 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.605 2.198 -2.976 1.00 0.38 H new ATOM 0 HB2 ALA A 50 -1.862 2.171 -3.337 1.00 0.38 H new ATOM 0 HB3 ALA A 50 -2.747 3.715 -3.339 1.00 0.38 H new ATOM 731 N GLU A 51 -4.446 4.362 -5.706 1.00 0.36 N ATOM 732 CA GLU A 51 -5.618 5.108 -6.099 1.00 0.39 C ATOM 733 C GLU A 51 -6.145 4.568 -7.429 1.00 0.42 C ATOM 734 O GLU A 51 -7.306 4.706 -7.752 1.00 0.53 O ATOM 735 CB GLU A 51 -5.266 6.585 -6.234 1.00 0.37 C ATOM 736 CG GLU A 51 -4.500 7.144 -5.043 1.00 0.47 C ATOM 737 CD GLU A 51 -4.210 8.616 -5.180 1.00 0.94 C ATOM 738 OE1 GLU A 51 -3.419 8.998 -6.062 1.00 1.36 O ATOM 739 OE2 GLU A 51 -4.772 9.411 -4.417 1.00 1.11 O ATOM 0 H GLU A 51 -3.593 4.921 -5.699 1.00 0.36 H new ATOM 0 HA GLU A 51 -6.391 4.998 -5.339 1.00 0.39 H new ATOM 0 HB2 GLU A 51 -4.671 6.726 -7.136 1.00 0.37 H new ATOM 0 HB3 GLU A 51 -6.184 7.158 -6.365 1.00 0.37 H new ATOM 0 HG2 GLU A 51 -5.076 6.974 -4.133 1.00 0.47 H new ATOM 0 HG3 GLU A 51 -3.561 6.601 -4.932 1.00 0.47 H new ATOM 746 N GLU A 52 -5.272 3.962 -8.197 1.00 0.40 N ATOM 747 CA GLU A 52 -5.656 3.331 -9.436 1.00 0.48 C ATOM 748 C GLU A 52 -6.186 1.917 -9.149 1.00 0.43 C ATOM 749 O GLU A 52 -7.289 1.555 -9.550 1.00 0.55 O ATOM 750 CB GLU A 52 -4.453 3.258 -10.393 1.00 0.61 C ATOM 751 CG GLU A 52 -4.747 2.593 -11.734 1.00 0.77 C ATOM 752 CD GLU A 52 -5.702 3.385 -12.599 1.00 1.23 C ATOM 753 OE1 GLU A 52 -6.909 3.428 -12.305 1.00 1.49 O ATOM 754 OE2 GLU A 52 -5.250 3.986 -13.603 1.00 2.09 O ATOM 0 H GLU A 52 -4.278 3.893 -7.981 1.00 0.40 H new ATOM 0 HA GLU A 52 -6.440 3.922 -9.909 1.00 0.48 H new ATOM 0 HB2 GLU A 52 -4.089 4.269 -10.576 1.00 0.61 H new ATOM 0 HB3 GLU A 52 -3.647 2.713 -9.901 1.00 0.61 H new ATOM 0 HG2 GLU A 52 -3.811 2.451 -12.274 1.00 0.77 H new ATOM 0 HG3 GLU A 52 -5.165 1.602 -11.556 1.00 0.77 H new ATOM 761 N ARG A 53 -5.429 1.169 -8.361 1.00 0.34 N ATOM 762 CA ARG A 53 -5.679 -0.244 -8.100 1.00 0.34 C ATOM 763 C ARG A 53 -6.942 -0.444 -7.292 1.00 0.31 C ATOM 764 O ARG A 53 -7.649 -1.430 -7.467 1.00 0.44 O ATOM 765 CB ARG A 53 -4.477 -0.834 -7.341 1.00 0.40 C ATOM 766 CG ARG A 53 -4.565 -2.323 -6.946 1.00 0.53 C ATOM 767 CD ARG A 53 -4.546 -3.277 -8.140 1.00 0.70 C ATOM 768 NE ARG A 53 -5.772 -3.242 -8.954 1.00 1.27 N ATOM 769 CZ ARG A 53 -5.882 -3.793 -10.173 1.00 1.88 C ATOM 770 NH1 ARG A 53 -4.861 -4.444 -10.709 1.00 2.23 N ATOM 771 NH2 ARG A 53 -7.028 -3.738 -10.823 1.00 2.75 N ATOM 0 H ARG A 53 -4.609 1.532 -7.875 1.00 0.34 H new ATOM 0 HA ARG A 53 -5.811 -0.754 -9.054 1.00 0.34 H new ATOM 0 HB2 ARG A 53 -3.587 -0.698 -7.956 1.00 0.40 H new ATOM 0 HB3 ARG A 53 -4.329 -0.250 -6.433 1.00 0.40 H new ATOM 0 HG2 ARG A 53 -3.732 -2.565 -6.286 1.00 0.53 H new ATOM 0 HG3 ARG A 53 -5.480 -2.485 -6.377 1.00 0.53 H new ATOM 0 HD2 ARG A 53 -3.694 -3.032 -8.774 1.00 0.70 H new ATOM 0 HD3 ARG A 53 -4.392 -4.293 -7.778 1.00 0.70 H new ATOM 0 HE ARG A 53 -6.589 -2.769 -8.567 1.00 1.27 H new ATOM 0 HH11 ARG A 53 -3.984 -4.529 -10.195 1.00 2.23 H new ATOM 0 HH12 ARG A 53 -4.952 -4.860 -11.636 1.00 2.23 H new ATOM 0 HH21 ARG A 53 -7.833 -3.276 -10.400 1.00 2.75 H new ATOM 0 HH22 ARG A 53 -7.110 -4.157 -11.749 1.00 2.75 H new ATOM 785 N PHE A 54 -7.209 0.481 -6.415 1.00 0.25 N ATOM 786 CA PHE A 54 -8.333 0.367 -5.529 1.00 0.31 C ATOM 787 C PHE A 54 -9.383 1.430 -5.802 1.00 0.32 C ATOM 788 O PHE A 54 -10.412 1.468 -5.131 1.00 0.36 O ATOM 789 CB PHE A 54 -7.856 0.497 -4.100 1.00 0.38 C ATOM 790 CG PHE A 54 -6.802 -0.484 -3.706 1.00 0.38 C ATOM 791 CD1 PHE A 54 -7.028 -1.841 -3.801 1.00 0.69 C ATOM 792 CD2 PHE A 54 -5.585 -0.044 -3.227 1.00 0.62 C ATOM 793 CE1 PHE A 54 -6.058 -2.733 -3.428 1.00 0.73 C ATOM 794 CE2 PHE A 54 -4.614 -0.940 -2.849 1.00 0.63 C ATOM 795 CZ PHE A 54 -4.853 -2.277 -2.950 1.00 0.46 C ATOM 0 H PHE A 54 -6.658 1.331 -6.294 1.00 0.25 H new ATOM 0 HA PHE A 54 -8.792 -0.608 -5.696 1.00 0.31 H new ATOM 0 HB2 PHE A 54 -7.470 1.505 -3.950 1.00 0.38 H new ATOM 0 HB3 PHE A 54 -8.710 0.380 -3.433 1.00 0.38 H new ATOM 0 HD1 PHE A 54 -7.976 -2.203 -4.172 1.00 0.69 H new ATOM 0 HD2 PHE A 54 -5.394 1.016 -3.148 1.00 0.62 H new ATOM 0 HE1 PHE A 54 -6.240 -3.794 -3.509 1.00 0.73 H new ATOM 0 HE2 PHE A 54 -3.665 -0.585 -2.473 1.00 0.63 H new ATOM 0 HZ PHE A 54 -4.091 -2.983 -2.653 1.00 0.46 H new ATOM 805 N ASP A 55 -9.079 2.323 -6.740 1.00 0.38 N ATOM 806 CA ASP A 55 -9.952 3.469 -7.178 1.00 0.45 C ATOM 807 C ASP A 55 -10.022 4.584 -6.123 1.00 0.50 C ATOM 808 O ASP A 55 -10.255 5.743 -6.449 1.00 0.89 O ATOM 809 CB ASP A 55 -11.378 3.028 -7.556 1.00 0.51 C ATOM 810 CG ASP A 55 -12.123 4.079 -8.377 1.00 1.10 C ATOM 811 OD1 ASP A 55 -12.784 4.968 -7.774 1.00 1.24 O ATOM 812 OD2 ASP A 55 -12.061 4.065 -9.620 1.00 2.02 O ATOM 0 H ASP A 55 -8.195 2.290 -7.248 1.00 0.38 H new ATOM 0 HA ASP A 55 -9.472 3.863 -8.074 1.00 0.45 H new ATOM 0 HB2 ASP A 55 -11.328 2.099 -8.123 1.00 0.51 H new ATOM 0 HB3 ASP A 55 -11.941 2.817 -6.647 1.00 0.51 H new ATOM 817 N VAL A 56 -9.760 4.233 -4.888 1.00 0.40 N ATOM 818 CA VAL A 56 -9.876 5.139 -3.774 1.00 0.48 C ATOM 819 C VAL A 56 -8.712 6.101 -3.757 1.00 0.67 C ATOM 820 O VAL A 56 -7.550 5.697 -3.773 1.00 1.61 O ATOM 821 CB VAL A 56 -10.006 4.368 -2.412 1.00 0.50 C ATOM 822 CG1 VAL A 56 -8.878 3.367 -2.200 1.00 1.07 C ATOM 823 CG2 VAL A 56 -10.082 5.336 -1.237 1.00 1.21 C ATOM 0 H VAL A 56 -9.456 3.296 -4.626 1.00 0.40 H new ATOM 0 HA VAL A 56 -10.793 5.715 -3.900 1.00 0.48 H new ATOM 0 HB VAL A 56 -10.937 3.804 -2.464 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -9.015 2.861 -1.244 1.00 1.07 H new ATOM 0 HG12 VAL A 56 -8.888 2.632 -3.004 1.00 1.07 H new ATOM 0 HG13 VAL A 56 -7.922 3.891 -2.199 1.00 1.07 H new ATOM 0 HG21 VAL A 56 -10.172 4.774 -0.308 1.00 1.21 H new ATOM 0 HG22 VAL A 56 -9.178 5.944 -1.208 1.00 1.21 H new ATOM 0 HG23 VAL A 56 -10.951 5.983 -1.355 1.00 1.21 H new ATOM 833 N LYS A 57 -9.035 7.361 -3.805 1.00 0.51 N ATOM 834 CA LYS A 57 -8.051 8.400 -3.801 1.00 0.49 C ATOM 835 C LYS A 57 -7.457 8.476 -2.391 1.00 0.40 C ATOM 836 O LYS A 57 -8.164 8.811 -1.425 1.00 0.52 O ATOM 837 CB LYS A 57 -8.708 9.742 -4.171 1.00 0.67 C ATOM 838 CG LYS A 57 -7.742 10.778 -4.720 1.00 1.22 C ATOM 839 CD LYS A 57 -7.287 10.387 -6.123 1.00 1.26 C ATOM 840 CE LYS A 57 -6.163 11.274 -6.645 1.00 1.28 C ATOM 841 NZ LYS A 57 -6.524 12.707 -6.694 1.00 1.67 N ATOM 0 H LYS A 57 -9.997 7.697 -3.848 1.00 0.51 H new ATOM 0 HA LYS A 57 -7.269 8.190 -4.530 1.00 0.49 H new ATOM 0 HB2 LYS A 57 -9.487 9.560 -4.911 1.00 0.67 H new ATOM 0 HB3 LYS A 57 -9.197 10.150 -3.287 1.00 0.67 H new ATOM 0 HG2 LYS A 57 -8.223 11.756 -4.746 1.00 1.22 H new ATOM 0 HG3 LYS A 57 -6.878 10.865 -4.061 1.00 1.22 H new ATOM 0 HD2 LYS A 57 -6.952 9.350 -6.116 1.00 1.26 H new ATOM 0 HD3 LYS A 57 -8.136 10.444 -6.805 1.00 1.26 H new ATOM 0 HE2 LYS A 57 -5.286 11.149 -6.010 1.00 1.28 H new ATOM 0 HE3 LYS A 57 -5.882 10.943 -7.645 1.00 1.28 H new ATOM 0 HZ1 LYS A 57 -5.737 13.249 -7.105 1.00 1.67 H new ATOM 0 HZ2 LYS A 57 -7.374 12.831 -7.281 1.00 1.67 H new ATOM 0 HZ3 LYS A 57 -6.715 13.050 -5.731 1.00 1.67 H new ATOM 855 N ILE A 58 -6.210 8.139 -2.268 1.00 0.37 N ATOM 856 CA ILE A 58 -5.531 8.126 -0.997 1.00 0.33 C ATOM 857 C ILE A 58 -4.430 9.157 -1.092 1.00 0.32 C ATOM 858 O ILE A 58 -3.391 8.912 -1.696 1.00 0.35 O ATOM 859 CB ILE A 58 -4.920 6.727 -0.664 1.00 0.33 C ATOM 860 CG1 ILE A 58 -5.975 5.630 -0.855 1.00 0.39 C ATOM 861 CG2 ILE A 58 -4.410 6.701 0.790 1.00 0.38 C ATOM 862 CD1 ILE A 58 -5.451 4.228 -0.654 1.00 0.49 C ATOM 0 H ILE A 58 -5.623 7.861 -3.054 1.00 0.37 H new ATOM 0 HA ILE A 58 -6.239 8.349 -0.198 1.00 0.33 H new ATOM 0 HB ILE A 58 -4.085 6.545 -1.340 1.00 0.33 H new ATOM 0 HG12 ILE A 58 -6.794 5.804 -0.157 1.00 0.39 H new ATOM 0 HG13 ILE A 58 -6.390 5.711 -1.860 1.00 0.39 H new ATOM 0 HG21 ILE A 58 -3.987 5.721 1.010 1.00 0.38 H new ATOM 0 HG22 ILE A 58 -3.643 7.465 0.920 1.00 0.38 H new ATOM 0 HG23 ILE A 58 -5.239 6.899 1.470 1.00 0.38 H new ATOM 0 HD11 ILE A 58 -6.259 3.512 -0.807 1.00 0.49 H new ATOM 0 HD12 ILE A 58 -4.652 4.032 -1.369 1.00 0.49 H new ATOM 0 HD13 ILE A 58 -5.063 4.126 0.360 1.00 0.49 H new ATOM 874 N PRO A 59 -4.665 10.338 -0.552 1.00 0.39 N ATOM 875 CA PRO A 59 -3.746 11.445 -0.696 1.00 0.44 C ATOM 876 C PRO A 59 -2.439 11.255 0.066 1.00 0.37 C ATOM 877 O PRO A 59 -2.445 10.836 1.229 1.00 0.39 O ATOM 878 CB PRO A 59 -4.531 12.642 -0.143 1.00 0.62 C ATOM 879 CG PRO A 59 -5.529 12.054 0.789 1.00 0.57 C ATOM 880 CD PRO A 59 -5.851 10.692 0.254 1.00 0.50 C ATOM 0 HA PRO A 59 -3.433 11.564 -1.733 1.00 0.44 H new ATOM 0 HB2 PRO A 59 -3.873 13.340 0.374 1.00 0.62 H new ATOM 0 HB3 PRO A 59 -5.019 13.197 -0.944 1.00 0.62 H new ATOM 0 HG2 PRO A 59 -5.127 11.990 1.800 1.00 0.57 H new ATOM 0 HG3 PRO A 59 -6.425 12.673 0.841 1.00 0.57 H new ATOM 0 HD2 PRO A 59 -6.016 9.975 1.059 1.00 0.50 H new ATOM 0 HD3 PRO A 59 -6.757 10.705 -0.352 1.00 0.50 H new ATOM 888 N ASP A 60 -1.322 11.547 -0.624 1.00 0.39 N ATOM 889 CA ASP A 60 0.056 11.596 -0.067 1.00 0.46 C ATOM 890 C ASP A 60 0.134 12.173 1.352 1.00 0.50 C ATOM 891 O ASP A 60 0.965 11.756 2.144 1.00 0.63 O ATOM 892 CB ASP A 60 0.976 12.408 -1.003 1.00 0.64 C ATOM 893 CG ASP A 60 2.244 12.916 -0.318 1.00 1.34 C ATOM 894 OD1 ASP A 60 3.179 12.140 -0.068 1.00 1.93 O ATOM 895 OD2 ASP A 60 2.312 14.125 0.003 1.00 2.00 O ATOM 0 H ASP A 60 -1.347 11.764 -1.620 1.00 0.39 H new ATOM 0 HA ASP A 60 0.389 10.560 -0.000 1.00 0.46 H new ATOM 0 HB2 ASP A 60 1.256 11.787 -1.854 1.00 0.64 H new ATOM 0 HB3 ASP A 60 0.420 13.258 -1.398 1.00 0.64 H new ATOM 900 N ASP A 61 -0.714 13.102 1.664 1.00 0.51 N ATOM 901 CA ASP A 61 -0.710 13.707 2.988 1.00 0.63 C ATOM 902 C ASP A 61 -1.313 12.779 4.048 1.00 0.62 C ATOM 903 O ASP A 61 -0.724 12.557 5.097 1.00 0.74 O ATOM 904 CB ASP A 61 -1.437 15.048 2.982 1.00 0.74 C ATOM 905 CG ASP A 61 -1.407 15.726 4.334 1.00 1.36 C ATOM 906 OD1 ASP A 61 -0.392 16.359 4.674 1.00 1.65 O ATOM 907 OD2 ASP A 61 -2.390 15.628 5.081 1.00 2.09 O ATOM 0 H ASP A 61 -1.424 13.468 1.030 1.00 0.51 H new ATOM 0 HA ASP A 61 0.334 13.877 3.253 1.00 0.63 H new ATOM 0 HB2 ASP A 61 -0.980 15.703 2.240 1.00 0.74 H new ATOM 0 HB3 ASP A 61 -2.473 14.896 2.678 1.00 0.74 H new ATOM 912 N ASP A 62 -2.446 12.188 3.738 1.00 0.57 N ATOM 913 CA ASP A 62 -3.193 11.375 4.705 1.00 0.65 C ATOM 914 C ASP A 62 -2.696 9.936 4.704 1.00 0.53 C ATOM 915 O ASP A 62 -2.843 9.199 5.681 1.00 0.59 O ATOM 916 CB ASP A 62 -4.680 11.457 4.372 1.00 0.80 C ATOM 917 CG ASP A 62 -5.587 10.852 5.400 1.00 0.98 C ATOM 918 OD1 ASP A 62 -5.556 11.296 6.528 1.00 1.58 O ATOM 919 OD2 ASP A 62 -6.292 9.853 5.105 1.00 1.54 O ATOM 0 H ASP A 62 -2.883 12.249 2.818 1.00 0.57 H new ATOM 0 HA ASP A 62 -3.034 11.762 5.711 1.00 0.65 H new ATOM 0 HB2 ASP A 62 -4.951 12.504 4.239 1.00 0.80 H new ATOM 0 HB3 ASP A 62 -4.852 10.960 3.418 1.00 0.80 H new ATOM 924 N VAL A 63 -2.067 9.557 3.612 1.00 0.42 N ATOM 925 CA VAL A 63 -1.501 8.229 3.433 1.00 0.39 C ATOM 926 C VAL A 63 -0.352 7.989 4.429 1.00 0.44 C ATOM 927 O VAL A 63 -0.018 6.850 4.759 1.00 0.50 O ATOM 928 CB VAL A 63 -1.007 7.992 1.970 1.00 0.41 C ATOM 929 CG1 VAL A 63 0.286 8.710 1.672 1.00 0.69 C ATOM 930 CG2 VAL A 63 -0.891 6.534 1.649 1.00 0.59 C ATOM 0 H VAL A 63 -1.930 10.170 2.808 1.00 0.42 H new ATOM 0 HA VAL A 63 -2.298 7.512 3.630 1.00 0.39 H new ATOM 0 HB VAL A 63 -1.771 8.420 1.321 1.00 0.41 H new ATOM 0 HG11 VAL A 63 0.584 8.511 0.642 1.00 0.69 H new ATOM 0 HG12 VAL A 63 0.147 9.782 1.809 1.00 0.69 H new ATOM 0 HG13 VAL A 63 1.063 8.356 2.349 1.00 0.69 H new ATOM 0 HG21 VAL A 63 -0.545 6.414 0.622 1.00 0.59 H new ATOM 0 HG22 VAL A 63 -0.179 6.067 2.329 1.00 0.59 H new ATOM 0 HG23 VAL A 63 -1.865 6.058 1.761 1.00 0.59 H new ATOM 940 N LYS A 64 0.215 9.091 4.930 1.00 0.49 N ATOM 941 CA LYS A 64 1.364 9.063 5.824 1.00 0.63 C ATOM 942 C LYS A 64 1.067 8.358 7.160 1.00 0.64 C ATOM 943 O LYS A 64 1.974 8.079 7.936 1.00 0.85 O ATOM 944 CB LYS A 64 1.907 10.480 6.076 1.00 0.76 C ATOM 945 CG LYS A 64 2.252 11.252 4.805 1.00 0.76 C ATOM 946 CD LYS A 64 2.954 12.570 5.114 1.00 1.04 C ATOM 947 CE LYS A 64 3.121 13.452 3.867 1.00 1.55 C ATOM 948 NZ LYS A 64 3.755 12.738 2.731 1.00 2.44 N ATOM 0 H LYS A 64 -0.118 10.032 4.721 1.00 0.49 H new ATOM 0 HA LYS A 64 2.129 8.476 5.316 1.00 0.63 H new ATOM 0 HB2 LYS A 64 1.167 11.046 6.642 1.00 0.76 H new ATOM 0 HB3 LYS A 64 2.799 10.410 6.699 1.00 0.76 H new ATOM 0 HG2 LYS A 64 2.893 10.639 4.171 1.00 0.76 H new ATOM 0 HG3 LYS A 64 1.340 11.450 4.241 1.00 0.76 H new ATOM 0 HD2 LYS A 64 2.384 13.114 5.867 1.00 1.04 H new ATOM 0 HD3 LYS A 64 3.934 12.364 5.544 1.00 1.04 H new ATOM 0 HE2 LYS A 64 2.144 13.821 3.557 1.00 1.55 H new ATOM 0 HE3 LYS A 64 3.724 14.323 4.123 1.00 1.55 H new ATOM 0 HZ1 LYS A 64 4.305 13.412 2.161 1.00 2.44 H new ATOM 0 HZ2 LYS A 64 4.386 11.997 3.096 1.00 2.44 H new ATOM 0 HZ3 LYS A 64 3.018 12.305 2.139 1.00 2.44 H new ATOM 962 N ASN A 65 -0.193 8.064 7.408 1.00 0.51 N ATOM 963 CA ASN A 65 -0.601 7.414 8.649 1.00 0.57 C ATOM 964 C ASN A 65 -0.693 5.905 8.483 1.00 0.50 C ATOM 965 O ASN A 65 -0.946 5.183 9.448 1.00 0.66 O ATOM 966 CB ASN A 65 -1.962 7.945 9.111 1.00 0.65 C ATOM 967 CG ASN A 65 -1.973 9.434 9.385 1.00 1.37 C ATOM 968 OD1 ASN A 65 -0.971 10.022 9.809 1.00 1.93 O ATOM 969 ND2 ASN A 65 -3.086 10.057 9.119 1.00 1.94 N ATOM 0 H ASN A 65 -0.960 8.264 6.766 1.00 0.51 H new ATOM 0 HA ASN A 65 0.159 7.641 9.397 1.00 0.57 H new ATOM 0 HB2 ASN A 65 -2.708 7.719 8.349 1.00 0.65 H new ATOM 0 HB3 ASN A 65 -2.260 7.416 10.016 1.00 0.65 H new ATOM 0 HD21 ASN A 65 -3.152 11.065 9.259 1.00 1.94 H new ATOM 0 HD22 ASN A 65 -3.891 9.537 8.771 1.00 1.94 H new ATOM 976 N LEU A 66 -0.484 5.423 7.268 1.00 0.42 N ATOM 977 CA LEU A 66 -0.643 4.007 6.985 1.00 0.43 C ATOM 978 C LEU A 66 0.614 3.211 7.320 1.00 0.66 C ATOM 979 O LEU A 66 0.602 2.424 8.248 1.00 1.67 O ATOM 980 CB LEU A 66 -1.080 3.786 5.533 1.00 0.41 C ATOM 981 CG LEU A 66 -2.370 4.507 5.116 1.00 0.38 C ATOM 982 CD1 LEU A 66 -2.734 4.186 3.682 1.00 0.45 C ATOM 983 CD2 LEU A 66 -3.513 4.155 6.046 1.00 0.39 C ATOM 0 H LEU A 66 -0.205 5.989 6.466 1.00 0.42 H new ATOM 0 HA LEU A 66 -1.433 3.631 7.635 1.00 0.43 H new ATOM 0 HB2 LEU A 66 -0.274 4.111 4.875 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -1.213 2.716 5.370 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.188 5.579 5.189 1.00 0.38 H new ATOM 0 HD11 LEU A 66 -3.651 4.710 3.413 1.00 0.45 H new ATOM 0 HD12 LEU A 66 -1.927 4.505 3.022 1.00 0.45 H new ATOM 0 HD13 LEU A 66 -2.886 3.112 3.577 1.00 0.45 H new ATOM 0 HD21 LEU A 66 -4.415 4.679 5.729 1.00 0.39 H new ATOM 0 HD22 LEU A 66 -3.688 3.080 6.016 1.00 0.39 H new ATOM 0 HD23 LEU A 66 -3.259 4.453 7.063 1.00 0.39 H new ATOM 995 N LYS A 67 1.677 3.402 6.538 1.00 0.54 N ATOM 996 CA LYS A 67 3.025 2.780 6.707 1.00 0.48 C ATOM 997 C LYS A 67 3.105 1.237 6.605 1.00 0.44 C ATOM 998 O LYS A 67 4.144 0.692 6.200 1.00 0.58 O ATOM 999 CB LYS A 67 3.903 3.402 7.853 1.00 0.60 C ATOM 1000 CG LYS A 67 3.292 3.470 9.252 1.00 0.99 C ATOM 1001 CD LYS A 67 3.153 2.108 9.910 1.00 1.79 C ATOM 1002 CE LYS A 67 2.328 2.202 11.184 1.00 2.52 C ATOM 1003 NZ LYS A 67 2.914 3.130 12.175 1.00 3.18 N ATOM 0 H LYS A 67 1.638 4.020 5.727 1.00 0.54 H new ATOM 0 HA LYS A 67 3.515 3.090 5.784 1.00 0.48 H new ATOM 0 HB2 LYS A 67 4.828 2.828 7.917 1.00 0.60 H new ATOM 0 HB3 LYS A 67 4.176 4.414 7.556 1.00 0.60 H new ATOM 0 HG2 LYS A 67 3.911 4.109 9.881 1.00 0.99 H new ATOM 0 HG3 LYS A 67 2.310 3.939 9.190 1.00 0.99 H new ATOM 0 HD2 LYS A 67 2.681 1.411 9.217 1.00 1.79 H new ATOM 0 HD3 LYS A 67 4.141 1.709 10.140 1.00 1.79 H new ATOM 0 HE2 LYS A 67 1.319 2.532 10.935 1.00 2.52 H new ATOM 0 HE3 LYS A 67 2.239 1.211 11.629 1.00 2.52 H new ATOM 0 HZ1 LYS A 67 2.403 3.043 13.076 1.00 3.18 H new ATOM 0 HZ2 LYS A 67 3.916 2.894 12.321 1.00 3.18 H new ATOM 0 HZ3 LYS A 67 2.836 4.106 11.825 1.00 3.18 H new ATOM 1017 N THR A 68 2.062 0.537 6.964 1.00 0.36 N ATOM 1018 CA THR A 68 2.047 -0.891 6.783 1.00 0.32 C ATOM 1019 C THR A 68 1.082 -1.253 5.714 1.00 0.30 C ATOM 1020 O THR A 68 0.220 -0.451 5.332 1.00 0.35 O ATOM 1021 CB THR A 68 1.646 -1.722 8.023 1.00 0.35 C ATOM 1022 OG1 THR A 68 0.360 -1.340 8.502 1.00 0.51 O ATOM 1023 CG2 THR A 68 2.678 -1.689 9.112 1.00 0.34 C ATOM 0 H THR A 68 1.217 0.928 7.381 1.00 0.36 H new ATOM 0 HA THR A 68 3.082 -1.134 6.543 1.00 0.32 H new ATOM 0 HB THR A 68 1.590 -2.761 7.697 1.00 0.35 H new ATOM 0 HG1 THR A 68 0.457 -0.855 9.348 1.00 0.51 H new ATOM 0 HG21 THR A 68 2.337 -2.291 9.954 1.00 0.34 H new ATOM 0 HG22 THR A 68 3.618 -2.092 8.735 1.00 0.34 H new ATOM 0 HG23 THR A 68 2.829 -0.660 9.439 1.00 0.34 H new ATOM 1031 N VAL A 69 1.189 -2.462 5.278 1.00 0.27 N ATOM 1032 CA VAL A 69 0.266 -3.031 4.343 1.00 0.26 C ATOM 1033 C VAL A 69 -1.102 -3.210 5.008 1.00 0.27 C ATOM 1034 O VAL A 69 -2.135 -2.968 4.387 1.00 0.34 O ATOM 1035 CB VAL A 69 0.787 -4.378 3.836 1.00 0.28 C ATOM 1036 CG1 VAL A 69 1.889 -4.188 2.824 1.00 0.29 C ATOM 1037 CG2 VAL A 69 1.333 -5.161 4.977 1.00 0.35 C ATOM 0 H VAL A 69 1.933 -3.098 5.564 1.00 0.27 H new ATOM 0 HA VAL A 69 0.163 -2.357 3.493 1.00 0.26 H new ATOM 0 HB VAL A 69 -0.044 -4.904 3.367 1.00 0.28 H new ATOM 0 HG11 VAL A 69 2.240 -5.161 2.481 1.00 0.29 H new ATOM 0 HG12 VAL A 69 1.509 -3.620 1.975 1.00 0.29 H new ATOM 0 HG13 VAL A 69 2.715 -3.646 3.283 1.00 0.29 H new ATOM 0 HG21 VAL A 69 1.704 -6.120 4.616 1.00 0.35 H new ATOM 0 HG22 VAL A 69 2.150 -4.607 5.440 1.00 0.35 H new ATOM 0 HG23 VAL A 69 0.546 -5.330 5.712 1.00 0.35 H new ATOM 1047 N GLY A 70 -1.087 -3.627 6.272 1.00 0.26 N ATOM 1048 CA GLY A 70 -2.298 -3.794 7.030 1.00 0.30 C ATOM 1049 C GLY A 70 -3.039 -2.500 7.203 1.00 0.28 C ATOM 1050 O GLY A 70 -4.236 -2.438 6.955 1.00 0.30 O ATOM 0 H GLY A 70 -0.235 -3.854 6.785 1.00 0.26 H new ATOM 0 HA2 GLY A 70 -2.942 -4.516 6.528 1.00 0.30 H new ATOM 0 HA3 GLY A 70 -2.058 -4.208 8.010 1.00 0.30 H new ATOM 1054 N ASP A 71 -2.328 -1.455 7.601 1.00 0.29 N ATOM 1055 CA ASP A 71 -2.937 -0.137 7.784 1.00 0.32 C ATOM 1056 C ASP A 71 -3.417 0.429 6.480 1.00 0.27 C ATOM 1057 O ASP A 71 -4.482 1.034 6.435 1.00 0.29 O ATOM 1058 CB ASP A 71 -2.022 0.872 8.486 1.00 0.46 C ATOM 1059 CG ASP A 71 -1.868 0.640 9.972 1.00 1.01 C ATOM 1060 OD1 ASP A 71 -2.689 1.144 10.768 1.00 1.19 O ATOM 1061 OD2 ASP A 71 -0.914 -0.053 10.377 1.00 1.79 O ATOM 0 H ASP A 71 -1.329 -1.490 7.804 1.00 0.29 H new ATOM 0 HA ASP A 71 -3.789 -0.303 8.443 1.00 0.32 H new ATOM 0 HB2 ASP A 71 -1.037 0.838 8.020 1.00 0.46 H new ATOM 0 HB3 ASP A 71 -2.416 1.876 8.325 1.00 0.46 H new ATOM 1066 N ALA A 72 -2.636 0.231 5.416 1.00 0.26 N ATOM 1067 CA ALA A 72 -3.039 0.661 4.081 1.00 0.26 C ATOM 1068 C ALA A 72 -4.371 0.024 3.736 1.00 0.25 C ATOM 1069 O ALA A 72 -5.351 0.721 3.490 1.00 0.26 O ATOM 1070 CB ALA A 72 -1.986 0.287 3.057 1.00 0.29 C ATOM 0 H ALA A 72 -1.724 -0.223 5.455 1.00 0.26 H new ATOM 0 HA ALA A 72 -3.143 1.746 4.068 1.00 0.26 H new ATOM 0 HB1 ALA A 72 -2.306 0.617 2.069 1.00 0.29 H new ATOM 0 HB2 ALA A 72 -1.043 0.770 3.312 1.00 0.29 H new ATOM 0 HB3 ALA A 72 -1.851 -0.795 3.053 1.00 0.29 H new ATOM 1076 N THR A 73 -4.393 -1.297 3.754 1.00 0.25 N ATOM 1077 CA THR A 73 -5.592 -2.086 3.594 1.00 0.26 C ATOM 1078 C THR A 73 -6.730 -1.587 4.496 1.00 0.28 C ATOM 1079 O THR A 73 -7.795 -1.363 4.017 1.00 0.31 O ATOM 1080 CB THR A 73 -5.283 -3.541 3.936 1.00 0.27 C ATOM 1081 OG1 THR A 73 -4.249 -3.999 3.069 1.00 0.28 O ATOM 1082 CG2 THR A 73 -6.517 -4.406 3.764 1.00 0.28 C ATOM 0 H THR A 73 -3.553 -1.861 3.884 1.00 0.25 H new ATOM 0 HA THR A 73 -5.919 -1.994 2.558 1.00 0.26 H new ATOM 0 HB THR A 73 -4.964 -3.609 4.976 1.00 0.27 H new ATOM 0 HG1 THR A 73 -3.376 -3.770 3.451 1.00 0.28 H new ATOM 0 HG21 THR A 73 -6.275 -5.439 4.013 1.00 0.28 H new ATOM 0 HG22 THR A 73 -7.307 -4.049 4.425 1.00 0.28 H new ATOM 0 HG23 THR A 73 -6.858 -4.352 2.730 1.00 0.28 H new ATOM 1090 N LYS A 74 -6.474 -1.424 5.783 1.00 0.29 N ATOM 1091 CA LYS A 74 -7.460 -0.940 6.759 1.00 0.34 C ATOM 1092 C LYS A 74 -8.081 0.401 6.327 1.00 0.31 C ATOM 1093 O LYS A 74 -9.281 0.633 6.523 1.00 0.37 O ATOM 1094 CB LYS A 74 -6.791 -0.880 8.166 1.00 0.41 C ATOM 1095 CG LYS A 74 -7.576 -0.208 9.310 1.00 0.58 C ATOM 1096 CD LYS A 74 -7.384 1.315 9.345 1.00 1.60 C ATOM 1097 CE LYS A 74 -5.913 1.699 9.506 1.00 2.24 C ATOM 1098 NZ LYS A 74 -5.327 1.190 10.765 1.00 2.93 N ATOM 0 H LYS A 74 -5.563 -1.625 6.195 1.00 0.29 H new ATOM 0 HA LYS A 74 -8.297 -1.637 6.810 1.00 0.34 H new ATOM 0 HB2 LYS A 74 -6.563 -1.901 8.472 1.00 0.41 H new ATOM 0 HB3 LYS A 74 -5.840 -0.358 8.062 1.00 0.41 H new ATOM 0 HG2 LYS A 74 -8.637 -0.434 9.199 1.00 0.58 H new ATOM 0 HG3 LYS A 74 -7.257 -0.632 10.262 1.00 0.58 H new ATOM 0 HD2 LYS A 74 -7.775 1.752 8.426 1.00 1.60 H new ATOM 0 HD3 LYS A 74 -7.961 1.735 10.168 1.00 1.60 H new ATOM 0 HE2 LYS A 74 -5.345 1.309 8.661 1.00 2.24 H new ATOM 0 HE3 LYS A 74 -5.820 2.785 9.479 1.00 2.24 H new ATOM 0 HZ1 LYS A 74 -4.345 1.520 10.849 1.00 2.93 H new ATOM 0 HZ2 LYS A 74 -5.881 1.541 11.572 1.00 2.93 H new ATOM 0 HZ3 LYS A 74 -5.343 0.150 10.760 1.00 2.93 H new ATOM 1112 N TYR A 75 -7.278 1.246 5.705 1.00 0.26 N ATOM 1113 CA TYR A 75 -7.736 2.516 5.233 1.00 0.25 C ATOM 1114 C TYR A 75 -8.633 2.270 4.044 1.00 0.23 C ATOM 1115 O TYR A 75 -9.761 2.676 4.024 1.00 0.29 O ATOM 1116 CB TYR A 75 -6.527 3.352 4.821 1.00 0.29 C ATOM 1117 CG TYR A 75 -6.798 4.758 4.332 1.00 0.30 C ATOM 1118 CD1 TYR A 75 -7.198 4.987 3.026 1.00 0.36 C ATOM 1119 CD2 TYR A 75 -6.696 5.851 5.184 1.00 0.41 C ATOM 1120 CE1 TYR A 75 -7.482 6.256 2.587 1.00 0.42 C ATOM 1121 CE2 TYR A 75 -6.981 7.121 4.744 1.00 0.47 C ATOM 1122 CZ TYR A 75 -7.212 7.342 3.434 1.00 0.45 C ATOM 1123 OH TYR A 75 -7.658 8.585 2.995 1.00 0.53 O ATOM 0 H TYR A 75 -6.293 1.060 5.519 1.00 0.26 H new ATOM 0 HA TYR A 75 -8.287 3.051 6.007 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -5.852 3.415 5.674 1.00 0.29 H new ATOM 0 HB3 TYR A 75 -5.997 2.816 4.034 1.00 0.29 H new ATOM 0 HD1 TYR A 75 -7.288 4.155 2.343 1.00 0.36 H new ATOM 0 HD2 TYR A 75 -6.388 5.700 6.208 1.00 0.41 H new ATOM 0 HE1 TYR A 75 -7.906 6.416 1.607 1.00 0.42 H new ATOM 0 HE2 TYR A 75 -7.020 7.941 5.446 1.00 0.47 H new ATOM 0 HH TYR A 75 -7.325 9.283 3.597 1.00 0.53 H new ATOM 1133 N ILE A 76 -8.108 1.552 3.087 1.00 0.22 N ATOM 1134 CA ILE A 76 -8.781 1.211 1.854 1.00 0.23 C ATOM 1135 C ILE A 76 -10.073 0.465 2.133 1.00 0.24 C ATOM 1136 O ILE A 76 -11.107 0.808 1.599 1.00 0.27 O ATOM 1137 CB ILE A 76 -7.832 0.370 0.983 1.00 0.22 C ATOM 1138 CG1 ILE A 76 -6.558 1.173 0.736 1.00 0.23 C ATOM 1139 CG2 ILE A 76 -8.492 0.000 -0.343 1.00 0.25 C ATOM 1140 CD1 ILE A 76 -5.423 0.379 0.162 1.00 0.25 C ATOM 0 H ILE A 76 -7.163 1.172 3.144 1.00 0.22 H new ATOM 0 HA ILE A 76 -9.044 2.123 1.319 1.00 0.23 H new ATOM 0 HB ILE A 76 -7.592 -0.558 1.502 1.00 0.22 H new ATOM 0 HG12 ILE A 76 -6.788 1.996 0.059 1.00 0.23 H new ATOM 0 HG13 ILE A 76 -6.235 1.616 1.678 1.00 0.23 H new ATOM 0 HG21 ILE A 76 -7.800 -0.594 -0.940 1.00 0.25 H new ATOM 0 HG22 ILE A 76 -9.395 -0.579 -0.151 1.00 0.25 H new ATOM 0 HG23 ILE A 76 -8.752 0.909 -0.886 1.00 0.25 H new ATOM 0 HD11 ILE A 76 -4.560 1.029 0.019 1.00 0.25 H new ATOM 0 HD12 ILE A 76 -5.161 -0.428 0.846 1.00 0.25 H new ATOM 0 HD13 ILE A 76 -5.722 -0.042 -0.798 1.00 0.25 H new ATOM 1152 N LEU A 77 -9.993 -0.536 2.969 1.00 0.24 N ATOM 1153 CA LEU A 77 -11.129 -1.350 3.392 1.00 0.29 C ATOM 1154 C LEU A 77 -12.284 -0.482 3.880 1.00 0.34 C ATOM 1155 O LEU A 77 -13.437 -0.742 3.572 1.00 0.43 O ATOM 1156 CB LEU A 77 -10.695 -2.276 4.530 1.00 0.30 C ATOM 1157 CG LEU A 77 -11.752 -3.218 5.069 1.00 0.40 C ATOM 1158 CD1 LEU A 77 -12.158 -4.217 4.014 1.00 0.88 C ATOM 1159 CD2 LEU A 77 -11.256 -3.912 6.318 1.00 1.15 C ATOM 0 H LEU A 77 -9.113 -0.826 3.395 1.00 0.24 H new ATOM 0 HA LEU A 77 -11.467 -1.929 2.532 1.00 0.29 H new ATOM 0 HB2 LEU A 77 -9.851 -2.872 4.183 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -10.334 -1.660 5.353 1.00 0.30 H new ATOM 0 HG LEU A 77 -12.634 -2.636 5.336 1.00 0.40 H new ATOM 0 HD11 LEU A 77 -12.918 -4.885 4.419 1.00 0.88 H new ATOM 0 HD12 LEU A 77 -12.562 -3.690 3.150 1.00 0.88 H new ATOM 0 HD13 LEU A 77 -11.288 -4.799 3.710 1.00 0.88 H new ATOM 0 HD21 LEU A 77 -12.028 -4.585 6.691 1.00 1.15 H new ATOM 0 HD22 LEU A 77 -10.358 -4.484 6.084 1.00 1.15 H new ATOM 0 HD23 LEU A 77 -11.024 -3.168 7.080 1.00 1.15 H new ATOM 1171 N ASP A 78 -11.952 0.554 4.597 1.00 0.32 N ATOM 1172 CA ASP A 78 -12.972 1.452 5.173 1.00 0.39 C ATOM 1173 C ASP A 78 -13.346 2.556 4.210 1.00 0.41 C ATOM 1174 O ASP A 78 -14.515 2.882 4.025 1.00 0.50 O ATOM 1175 CB ASP A 78 -12.478 2.075 6.478 1.00 0.45 C ATOM 1176 CG ASP A 78 -13.450 3.095 7.052 1.00 0.57 C ATOM 1177 OD1 ASP A 78 -14.437 2.701 7.714 1.00 0.67 O ATOM 1178 OD2 ASP A 78 -13.248 4.302 6.850 1.00 0.64 O ATOM 0 H ASP A 78 -10.989 0.816 4.809 1.00 0.32 H new ATOM 0 HA ASP A 78 -13.854 0.843 5.372 1.00 0.39 H new ATOM 0 HB2 ASP A 78 -12.312 1.286 7.211 1.00 0.45 H new ATOM 0 HB3 ASP A 78 -11.515 2.556 6.304 1.00 0.45 H new ATOM 1183 N HIS A 79 -12.344 3.080 3.577 1.00 0.37 N ATOM 1184 CA HIS A 79 -12.437 4.235 2.704 1.00 0.43 C ATOM 1185 C HIS A 79 -12.855 3.896 1.283 1.00 0.51 C ATOM 1186 O HIS A 79 -12.813 4.760 0.426 1.00 0.91 O ATOM 1187 CB HIS A 79 -11.136 5.060 2.742 1.00 0.48 C ATOM 1188 CG HIS A 79 -10.952 5.835 4.024 1.00 0.83 C ATOM 1189 ND1 HIS A 79 -11.228 7.169 4.142 1.00 1.18 N ATOM 1190 CD2 HIS A 79 -10.515 5.445 5.247 1.00 1.15 C ATOM 1191 CE1 HIS A 79 -10.972 7.569 5.368 1.00 1.53 C ATOM 1192 NE2 HIS A 79 -10.539 6.542 6.060 1.00 1.52 N ATOM 0 H HIS A 79 -11.397 2.709 3.649 1.00 0.37 H new ATOM 0 HA HIS A 79 -13.245 4.852 3.098 1.00 0.43 H new ATOM 0 HB2 HIS A 79 -10.287 4.391 2.606 1.00 0.48 H new ATOM 0 HB3 HIS A 79 -11.131 5.755 1.903 1.00 0.48 H new ATOM 0 HD2 HIS A 79 -10.205 4.449 5.527 1.00 1.15 H new ATOM 0 HE1 HIS A 79 -11.097 8.574 5.743 1.00 1.53 H new ATOM 0 HE2 HIS A 79 -10.266 6.560 7.043 1.00 1.52 H new ATOM 1201 N GLN A 80 -13.197 2.612 1.045 1.00 0.41 N ATOM 1202 CA GLN A 80 -13.747 2.124 -0.252 1.00 0.55 C ATOM 1203 C GLN A 80 -14.686 3.155 -0.873 1.00 0.62 C ATOM 1204 O GLN A 80 -15.637 3.602 -0.218 1.00 0.89 O ATOM 1205 CB GLN A 80 -14.602 0.878 -0.029 1.00 0.87 C ATOM 1206 CG GLN A 80 -13.925 -0.436 0.277 1.00 0.64 C ATOM 1207 CD GLN A 80 -12.958 -0.880 -0.783 1.00 0.49 C ATOM 1208 OE1 GLN A 80 -13.337 -1.492 -1.764 1.00 0.57 O ATOM 1209 NE2 GLN A 80 -11.725 -0.709 -0.518 1.00 0.51 N ATOM 0 H GLN A 80 -13.102 1.877 1.745 1.00 0.41 H new ATOM 0 HA GLN A 80 -12.892 1.926 -0.898 1.00 0.55 H new ATOM 0 HB2 GLN A 80 -15.287 1.093 0.791 1.00 0.87 H new ATOM 0 HB3 GLN A 80 -15.210 0.733 -0.922 1.00 0.87 H new ATOM 0 HG2 GLN A 80 -13.395 -0.349 1.226 1.00 0.64 H new ATOM 0 HG3 GLN A 80 -14.686 -1.205 0.406 1.00 0.64 H new ATOM 0 HE21 GLN A 80 -11.450 -0.189 0.315 1.00 0.51 H new ATOM 0 HE22 GLN A 80 -11.012 -1.092 -1.139 1.00 0.51 H new ATOM 1218 N ALA A 81 -14.441 3.518 -2.096 1.00 0.68 N ATOM 1219 CA ALA A 81 -15.269 4.468 -2.766 1.00 0.96 C ATOM 1220 C ALA A 81 -15.447 4.013 -4.176 1.00 1.47 C ATOM 1221 O ALA A 81 -16.460 3.373 -4.477 1.00 1.72 O ATOM 1222 CB ALA A 81 -14.653 5.861 -2.708 1.00 1.11 C ATOM 1223 OXT ALA A 81 -14.536 4.211 -4.982 1.00 2.36 O ATOM 0 H ALA A 81 -13.664 3.164 -2.654 1.00 0.68 H new ATOM 0 HA ALA A 81 -16.240 4.532 -2.275 1.00 0.96 H new ATOM 0 HB1 ALA A 81 -15.302 6.568 -3.225 1.00 1.11 H new ATOM 0 HB2 ALA A 81 -14.541 6.166 -1.668 1.00 1.11 H new ATOM 0 HB3 ALA A 81 -13.675 5.847 -3.190 1.00 1.11 H new