USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=16 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 75 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= 0.037 USER MOD Set 2.2: A 43 MET CE :methyl -132:sc= -7.12! (180deg=-7.36!) USER MOD Single : A 3 THR OG1 : rot -16:sc= 0.297 USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 16 ASN : amide:sc= -2.19! C(o=-2.2!,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= 2.36 (180deg=1.2) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0572 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= 0.257 (180deg=-0.309!) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.13) USER MOD Single : A 65 ASN : amide:sc= -0.13 X(o=-0.13,f=0.19) USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= 1.01 (180deg=0.9) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.467 USER MOD Single : A 73 THR OG1 : rot 90:sc= 0.906 USER MOD Single : A 74 LYS NZ :NH3+ 159:sc= 1.24 (180deg=1.21) USER MOD Single : A 80 GLN :FLIP amide:sc= -1.45 F(o=-3.5!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 -12.804 -7.484 -0.478 1.00 0.54 N ATOM 24 CA THR A 3 -12.108 -8.496 0.223 1.00 0.48 C ATOM 25 C THR A 3 -10.751 -7.935 0.600 1.00 0.39 C ATOM 26 O THR A 3 -10.021 -7.459 -0.266 1.00 0.37 O ATOM 27 CB THR A 3 -11.983 -9.749 -0.672 1.00 0.54 C ATOM 28 OG1 THR A 3 -11.805 -9.347 -2.046 1.00 1.05 O ATOM 29 CG2 THR A 3 -13.219 -10.610 -0.560 1.00 0.94 C ATOM 0 HA THR A 3 -12.637 -8.796 1.127 1.00 0.48 H new ATOM 0 HB THR A 3 -11.121 -10.327 -0.340 1.00 0.54 H new ATOM 0 HG1 THR A 3 -12.054 -8.404 -2.146 1.00 1.05 H new ATOM 0 HG21 THR A 3 -13.111 -11.487 -1.198 1.00 0.94 H new ATOM 0 HG22 THR A 3 -13.349 -10.928 0.475 1.00 0.94 H new ATOM 0 HG23 THR A 3 -14.091 -10.037 -0.876 1.00 0.94 H new ATOM 37 N GLN A 4 -10.443 -7.923 1.897 1.00 0.39 N ATOM 38 CA GLN A 4 -9.178 -7.359 2.417 1.00 0.34 C ATOM 39 C GLN A 4 -7.984 -8.001 1.718 1.00 0.27 C ATOM 40 O GLN A 4 -6.940 -7.387 1.525 1.00 0.25 O ATOM 41 CB GLN A 4 -9.054 -7.605 3.918 1.00 0.47 C ATOM 42 CG GLN A 4 -10.187 -7.029 4.747 1.00 0.63 C ATOM 43 CD GLN A 4 -10.034 -7.300 6.238 1.00 0.81 C ATOM 44 OE1 GLN A 4 -8.816 -7.355 6.718 1.00 1.25 O flip ATOM 45 NE2 GLN A 4 -11.028 -7.437 6.960 1.00 1.20 N flip ATOM 0 H GLN A 4 -11.054 -8.300 2.621 1.00 0.39 H new ATOM 0 HA GLN A 4 -9.188 -6.286 2.223 1.00 0.34 H new ATOM 0 HB2 GLN A 4 -9.002 -8.679 4.094 1.00 0.47 H new ATOM 0 HB3 GLN A 4 -8.113 -7.179 4.266 1.00 0.47 H new ATOM 0 HG2 GLN A 4 -10.239 -5.953 4.583 1.00 0.63 H new ATOM 0 HG3 GLN A 4 -11.132 -7.450 4.402 1.00 0.63 H new ATOM 0 HE21 GLN A 4 -11.963 -7.389 6.555 1.00 1.20 H new ATOM 0 HE22 GLN A 4 -10.913 -7.598 7.961 1.00 1.20 H new ATOM 54 N GLU A 5 -8.193 -9.225 1.317 1.00 0.33 N ATOM 55 CA GLU A 5 -7.218 -10.038 0.633 1.00 0.37 C ATOM 56 C GLU A 5 -6.903 -9.434 -0.716 1.00 0.30 C ATOM 57 O GLU A 5 -5.758 -9.351 -1.099 1.00 0.32 O ATOM 58 CB GLU A 5 -7.724 -11.483 0.428 1.00 0.56 C ATOM 59 CG GLU A 5 -8.224 -12.205 1.682 1.00 0.85 C ATOM 60 CD GLU A 5 -9.564 -11.704 2.171 1.00 1.42 C ATOM 61 OE1 GLU A 5 -10.590 -12.099 1.621 1.00 1.67 O ATOM 62 OE2 GLU A 5 -9.609 -10.875 3.107 1.00 2.30 O ATOM 0 H GLU A 5 -9.081 -9.705 1.462 1.00 0.33 H new ATOM 0 HA GLU A 5 -6.322 -10.070 1.254 1.00 0.37 H new ATOM 0 HB2 GLU A 5 -8.533 -11.463 -0.302 1.00 0.56 H new ATOM 0 HB3 GLU A 5 -6.916 -12.071 -0.007 1.00 0.56 H new ATOM 0 HG2 GLU A 5 -8.298 -13.272 1.472 1.00 0.85 H new ATOM 0 HG3 GLU A 5 -7.488 -12.087 2.478 1.00 0.85 H new ATOM 69 N GLU A 6 -7.938 -8.954 -1.394 1.00 0.31 N ATOM 70 CA GLU A 6 -7.804 -8.374 -2.719 1.00 0.34 C ATOM 71 C GLU A 6 -7.113 -7.038 -2.601 1.00 0.25 C ATOM 72 O GLU A 6 -6.392 -6.621 -3.487 1.00 0.27 O ATOM 73 CB GLU A 6 -9.181 -8.182 -3.340 1.00 0.47 C ATOM 74 CG GLU A 6 -9.192 -7.733 -4.799 1.00 0.57 C ATOM 75 CD GLU A 6 -8.637 -8.779 -5.731 1.00 1.19 C ATOM 76 OE1 GLU A 6 -9.226 -9.887 -5.851 1.00 1.92 O ATOM 77 OE2 GLU A 6 -7.566 -8.527 -6.337 1.00 1.75 O ATOM 0 H GLU A 6 -8.894 -8.957 -1.038 1.00 0.31 H new ATOM 0 HA GLU A 6 -7.218 -9.040 -3.353 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -9.728 -9.122 -3.264 1.00 0.47 H new ATOM 0 HB3 GLU A 6 -9.727 -7.447 -2.749 1.00 0.47 H new ATOM 0 HG2 GLU A 6 -10.214 -7.494 -5.094 1.00 0.57 H new ATOM 0 HG3 GLU A 6 -8.609 -6.817 -4.898 1.00 0.57 H new ATOM 84 N ILE A 7 -7.335 -6.388 -1.484 1.00 0.21 N ATOM 85 CA ILE A 7 -6.735 -5.125 -1.203 1.00 0.19 C ATOM 86 C ILE A 7 -5.234 -5.342 -1.003 1.00 0.18 C ATOM 87 O ILE A 7 -4.418 -4.759 -1.692 1.00 0.21 O ATOM 88 CB ILE A 7 -7.348 -4.521 0.064 1.00 0.20 C ATOM 89 CG1 ILE A 7 -8.886 -4.530 -0.032 1.00 0.25 C ATOM 90 CG2 ILE A 7 -6.832 -3.107 0.253 1.00 0.26 C ATOM 91 CD1 ILE A 7 -9.595 -3.932 1.165 1.00 0.29 C ATOM 0 H ILE A 7 -7.945 -6.733 -0.743 1.00 0.21 H new ATOM 0 HA ILE A 7 -6.909 -4.437 -2.030 1.00 0.19 H new ATOM 0 HB ILE A 7 -7.057 -5.121 0.927 1.00 0.20 H new ATOM 0 HG12 ILE A 7 -9.185 -3.982 -0.926 1.00 0.25 H new ATOM 0 HG13 ILE A 7 -9.223 -5.559 -0.161 1.00 0.25 H new ATOM 0 HG21 ILE A 7 -7.269 -2.678 1.155 1.00 0.26 H new ATOM 0 HG22 ILE A 7 -5.746 -3.126 0.349 1.00 0.26 H new ATOM 0 HG23 ILE A 7 -7.110 -2.500 -0.609 1.00 0.26 H new ATOM 0 HD11 ILE A 7 -10.673 -3.980 1.011 1.00 0.29 H new ATOM 0 HD12 ILE A 7 -9.331 -4.493 2.062 1.00 0.29 H new ATOM 0 HD13 ILE A 7 -9.292 -2.892 1.285 1.00 0.29 H new ATOM 103 N VAL A 8 -4.894 -6.189 -0.060 1.00 0.18 N ATOM 104 CA VAL A 8 -3.512 -6.547 0.202 1.00 0.20 C ATOM 105 C VAL A 8 -2.827 -7.110 -1.063 1.00 0.23 C ATOM 106 O VAL A 8 -1.698 -6.744 -1.370 1.00 0.26 O ATOM 107 CB VAL A 8 -3.426 -7.538 1.383 1.00 0.23 C ATOM 108 CG1 VAL A 8 -2.033 -8.129 1.510 1.00 0.32 C ATOM 109 CG2 VAL A 8 -3.799 -6.808 2.661 1.00 0.23 C ATOM 0 H VAL A 8 -5.567 -6.653 0.551 1.00 0.18 H new ATOM 0 HA VAL A 8 -2.972 -5.642 0.481 1.00 0.20 H new ATOM 0 HB VAL A 8 -4.117 -8.361 1.203 1.00 0.23 H new ATOM 0 HG11 VAL A 8 -2.007 -8.822 2.351 1.00 0.32 H new ATOM 0 HG12 VAL A 8 -1.778 -8.661 0.593 1.00 0.32 H new ATOM 0 HG13 VAL A 8 -1.312 -7.329 1.677 1.00 0.32 H new ATOM 0 HG21 VAL A 8 -3.742 -7.497 3.504 1.00 0.23 H new ATOM 0 HG22 VAL A 8 -3.108 -5.980 2.822 1.00 0.23 H new ATOM 0 HG23 VAL A 8 -4.815 -6.422 2.576 1.00 0.23 H new ATOM 119 N ALA A 9 -3.529 -7.959 -1.805 1.00 0.24 N ATOM 120 CA ALA A 9 -2.997 -8.515 -3.052 1.00 0.28 C ATOM 121 C ALA A 9 -2.835 -7.419 -4.102 1.00 0.26 C ATOM 122 O ALA A 9 -1.909 -7.456 -4.920 1.00 0.29 O ATOM 123 CB ALA A 9 -3.890 -9.622 -3.588 1.00 0.32 C ATOM 0 H ALA A 9 -4.468 -8.280 -1.568 1.00 0.24 H new ATOM 0 HA ALA A 9 -2.019 -8.943 -2.832 1.00 0.28 H new ATOM 0 HB1 ALA A 9 -3.468 -10.014 -4.514 1.00 0.32 H new ATOM 0 HB2 ALA A 9 -3.957 -10.423 -2.852 1.00 0.32 H new ATOM 0 HB3 ALA A 9 -4.886 -9.224 -3.783 1.00 0.32 H new ATOM 129 N GLY A 10 -3.737 -6.453 -4.071 1.00 0.24 N ATOM 130 CA GLY A 10 -3.671 -5.319 -4.952 1.00 0.25 C ATOM 131 C GLY A 10 -2.478 -4.485 -4.624 1.00 0.25 C ATOM 132 O GLY A 10 -1.773 -4.035 -5.499 1.00 0.31 O ATOM 0 H GLY A 10 -4.532 -6.440 -3.432 1.00 0.24 H new ATOM 0 HA2 GLY A 10 -3.616 -5.655 -5.987 1.00 0.25 H new ATOM 0 HA3 GLY A 10 -4.578 -4.722 -4.859 1.00 0.25 H new ATOM 136 N LEU A 11 -2.252 -4.293 -3.349 1.00 0.21 N ATOM 137 CA LEU A 11 -1.077 -3.605 -2.873 1.00 0.22 C ATOM 138 C LEU A 11 0.160 -4.359 -3.323 1.00 0.23 C ATOM 139 O LEU A 11 1.058 -3.779 -3.915 1.00 0.26 O ATOM 140 CB LEU A 11 -1.090 -3.504 -1.347 1.00 0.22 C ATOM 141 CG LEU A 11 -2.209 -2.673 -0.723 1.00 0.23 C ATOM 142 CD1 LEU A 11 -2.129 -2.745 0.789 1.00 0.28 C ATOM 143 CD2 LEU A 11 -2.117 -1.230 -1.184 1.00 0.29 C ATOM 0 H LEU A 11 -2.879 -4.610 -2.609 1.00 0.21 H new ATOM 0 HA LEU A 11 -1.068 -2.596 -3.285 1.00 0.22 H new ATOM 0 HB2 LEU A 11 -1.149 -4.513 -0.940 1.00 0.22 H new ATOM 0 HB3 LEU A 11 -0.136 -3.086 -1.026 1.00 0.22 H new ATOM 0 HG LEU A 11 -3.167 -3.080 -1.046 1.00 0.23 H new ATOM 0 HD11 LEU A 11 -2.931 -2.149 1.225 1.00 0.28 H new ATOM 0 HD12 LEU A 11 -2.232 -3.782 1.110 1.00 0.28 H new ATOM 0 HD13 LEU A 11 -1.167 -2.356 1.121 1.00 0.28 H new ATOM 0 HD21 LEU A 11 -2.922 -0.651 -0.730 1.00 0.29 H new ATOM 0 HD22 LEU A 11 -1.156 -0.813 -0.884 1.00 0.29 H new ATOM 0 HD23 LEU A 11 -2.208 -1.188 -2.269 1.00 0.29 H new ATOM 155 N ALA A 12 0.153 -5.671 -3.081 1.00 0.21 N ATOM 156 CA ALA A 12 1.246 -6.570 -3.427 1.00 0.22 C ATOM 157 C ALA A 12 1.648 -6.441 -4.887 1.00 0.23 C ATOM 158 O ALA A 12 2.837 -6.293 -5.191 1.00 0.24 O ATOM 159 CB ALA A 12 0.872 -8.022 -3.101 1.00 0.24 C ATOM 0 H ALA A 12 -0.630 -6.144 -2.630 1.00 0.21 H new ATOM 0 HA ALA A 12 2.107 -6.282 -2.824 1.00 0.22 H new ATOM 0 HB1 ALA A 12 1.700 -8.679 -3.366 1.00 0.24 H new ATOM 0 HB2 ALA A 12 0.663 -8.113 -2.035 1.00 0.24 H new ATOM 0 HB3 ALA A 12 -0.013 -8.306 -3.670 1.00 0.24 H new ATOM 165 N GLU A 13 0.662 -6.469 -5.787 1.00 0.24 N ATOM 166 CA GLU A 13 0.939 -6.390 -7.222 1.00 0.28 C ATOM 167 C GLU A 13 1.601 -5.074 -7.599 1.00 0.25 C ATOM 168 O GLU A 13 2.535 -5.044 -8.402 1.00 0.33 O ATOM 169 CB GLU A 13 -0.300 -6.708 -8.096 1.00 0.44 C ATOM 170 CG GLU A 13 -1.490 -5.789 -7.899 1.00 0.53 C ATOM 171 CD GLU A 13 -2.652 -6.123 -8.796 1.00 1.02 C ATOM 172 OE1 GLU A 13 -2.621 -5.759 -9.975 1.00 1.23 O ATOM 173 OE2 GLU A 13 -3.616 -6.780 -8.340 1.00 1.46 O ATOM 0 H GLU A 13 -0.327 -6.545 -5.550 1.00 0.24 H new ATOM 0 HA GLU A 13 1.659 -7.178 -7.441 1.00 0.28 H new ATOM 0 HB2 GLU A 13 -0.003 -6.670 -9.144 1.00 0.44 H new ATOM 0 HB3 GLU A 13 -0.615 -7.731 -7.891 1.00 0.44 H new ATOM 0 HG2 GLU A 13 -1.814 -5.843 -6.860 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -1.181 -4.760 -8.084 1.00 0.53 H new ATOM 180 N ILE A 14 1.151 -4.016 -6.973 1.00 0.23 N ATOM 181 CA ILE A 14 1.697 -2.691 -7.153 1.00 0.25 C ATOM 182 C ILE A 14 3.132 -2.656 -6.636 1.00 0.22 C ATOM 183 O ILE A 14 4.038 -2.196 -7.328 1.00 0.22 O ATOM 184 CB ILE A 14 0.844 -1.695 -6.362 1.00 0.30 C ATOM 185 CG1 ILE A 14 -0.555 -1.644 -6.937 1.00 0.33 C ATOM 186 CG2 ILE A 14 1.467 -0.320 -6.371 1.00 0.36 C ATOM 187 CD1 ILE A 14 -1.519 -0.934 -6.049 1.00 0.41 C ATOM 0 H ILE A 14 0.378 -4.051 -6.309 1.00 0.23 H new ATOM 0 HA ILE A 14 1.691 -2.428 -8.211 1.00 0.25 H new ATOM 0 HB ILE A 14 0.792 -2.032 -5.327 1.00 0.30 H new ATOM 0 HG12 ILE A 14 -0.527 -1.146 -7.906 1.00 0.33 H new ATOM 0 HG13 ILE A 14 -0.909 -2.660 -7.111 1.00 0.33 H new ATOM 0 HG21 ILE A 14 0.841 0.367 -5.802 1.00 0.36 H new ATOM 0 HG22 ILE A 14 2.458 -0.367 -5.919 1.00 0.36 H new ATOM 0 HG23 ILE A 14 1.553 0.034 -7.398 1.00 0.36 H new ATOM 0 HD11 ILE A 14 -2.505 -0.929 -6.513 1.00 0.41 H new ATOM 0 HD12 ILE A 14 -1.573 -1.445 -5.088 1.00 0.41 H new ATOM 0 HD13 ILE A 14 -1.185 0.092 -5.896 1.00 0.41 H new ATOM 199 N VAL A 15 3.321 -3.130 -5.417 1.00 0.21 N ATOM 200 CA VAL A 15 4.635 -3.182 -4.782 1.00 0.19 C ATOM 201 C VAL A 15 5.607 -3.957 -5.654 1.00 0.18 C ATOM 202 O VAL A 15 6.684 -3.484 -5.947 1.00 0.22 O ATOM 203 CB VAL A 15 4.566 -3.857 -3.379 1.00 0.22 C ATOM 204 CG1 VAL A 15 5.944 -3.974 -2.738 1.00 0.23 C ATOM 205 CG2 VAL A 15 3.641 -3.104 -2.461 1.00 0.29 C ATOM 0 H VAL A 15 2.567 -3.492 -4.834 1.00 0.21 H new ATOM 0 HA VAL A 15 4.979 -2.155 -4.659 1.00 0.19 H new ATOM 0 HB VAL A 15 4.174 -4.863 -3.532 1.00 0.22 H new ATOM 0 HG11 VAL A 15 5.852 -4.450 -1.762 1.00 0.23 H new ATOM 0 HG12 VAL A 15 6.592 -4.576 -3.375 1.00 0.23 H new ATOM 0 HG13 VAL A 15 6.375 -2.980 -2.618 1.00 0.23 H new ATOM 0 HG21 VAL A 15 3.612 -3.597 -1.489 1.00 0.29 H new ATOM 0 HG22 VAL A 15 4.001 -2.083 -2.339 1.00 0.29 H new ATOM 0 HG23 VAL A 15 2.639 -3.086 -2.889 1.00 0.29 H new ATOM 215 N ASN A 16 5.210 -5.122 -6.084 1.00 0.17 N ATOM 216 CA ASN A 16 6.074 -5.978 -6.890 1.00 0.19 C ATOM 217 C ASN A 16 6.459 -5.282 -8.213 1.00 0.22 C ATOM 218 O ASN A 16 7.547 -5.476 -8.742 1.00 0.27 O ATOM 219 CB ASN A 16 5.369 -7.294 -7.203 1.00 0.23 C ATOM 220 CG ASN A 16 6.318 -8.401 -7.660 1.00 0.31 C ATOM 221 OD1 ASN A 16 5.971 -9.209 -8.524 1.00 0.64 O ATOM 222 ND2 ASN A 16 7.457 -8.522 -7.014 1.00 0.29 N ATOM 0 H ASN A 16 4.288 -5.514 -5.894 1.00 0.17 H new ATOM 0 HA ASN A 16 6.980 -6.175 -6.316 1.00 0.19 H new ATOM 0 HB2 ASN A 16 4.833 -7.630 -6.315 1.00 0.23 H new ATOM 0 HB3 ASN A 16 4.624 -7.122 -7.980 1.00 0.23 H new ATOM 0 HD21 ASN A 16 8.081 -9.301 -7.223 1.00 0.29 H new ATOM 0 HD22 ASN A 16 7.716 -7.837 -6.304 1.00 0.29 H new ATOM 229 N GLU A 17 5.558 -4.457 -8.704 1.00 0.23 N ATOM 230 CA GLU A 17 5.719 -3.749 -9.962 1.00 0.29 C ATOM 231 C GLU A 17 6.550 -2.441 -9.806 1.00 0.30 C ATOM 232 O GLU A 17 7.404 -2.140 -10.635 1.00 0.44 O ATOM 233 CB GLU A 17 4.325 -3.465 -10.521 1.00 0.38 C ATOM 234 CG GLU A 17 4.269 -2.886 -11.912 1.00 0.63 C ATOM 235 CD GLU A 17 2.847 -2.796 -12.397 1.00 1.21 C ATOM 236 OE1 GLU A 17 2.287 -3.829 -12.808 1.00 1.48 O ATOM 237 OE2 GLU A 17 2.242 -1.706 -12.343 1.00 2.00 O ATOM 0 H GLU A 17 4.676 -4.254 -8.233 1.00 0.23 H new ATOM 0 HA GLU A 17 6.284 -4.371 -10.656 1.00 0.29 H new ATOM 0 HB2 GLU A 17 3.758 -4.396 -10.515 1.00 0.38 H new ATOM 0 HB3 GLU A 17 3.818 -2.778 -9.844 1.00 0.38 H new ATOM 0 HG2 GLU A 17 4.723 -1.895 -11.917 1.00 0.63 H new ATOM 0 HG3 GLU A 17 4.852 -3.507 -12.593 1.00 0.63 H new ATOM 244 N ILE A 18 6.287 -1.674 -8.754 1.00 0.23 N ATOM 245 CA ILE A 18 6.981 -0.388 -8.533 1.00 0.25 C ATOM 246 C ILE A 18 8.195 -0.558 -7.617 1.00 0.25 C ATOM 247 O ILE A 18 9.312 -0.177 -7.960 1.00 0.28 O ATOM 248 CB ILE A 18 6.010 0.634 -7.871 1.00 0.25 C ATOM 249 CG1 ILE A 18 4.824 0.888 -8.776 1.00 0.27 C ATOM 250 CG2 ILE A 18 6.729 1.951 -7.609 1.00 0.28 C ATOM 251 CD1 ILE A 18 3.724 1.692 -8.156 1.00 0.28 C ATOM 0 H ILE A 18 5.602 -1.910 -8.036 1.00 0.23 H new ATOM 0 HA ILE A 18 7.315 -0.026 -9.506 1.00 0.25 H new ATOM 0 HB ILE A 18 5.664 0.216 -6.926 1.00 0.25 H new ATOM 0 HG12 ILE A 18 5.172 1.403 -9.672 1.00 0.27 H new ATOM 0 HG13 ILE A 18 4.418 -0.071 -9.097 1.00 0.27 H new ATOM 0 HG21 ILE A 18 6.039 2.656 -7.146 1.00 0.28 H new ATOM 0 HG22 ILE A 18 7.573 1.778 -6.942 1.00 0.28 H new ATOM 0 HG23 ILE A 18 7.090 2.362 -8.552 1.00 0.28 H new ATOM 0 HD11 ILE A 18 2.918 1.823 -8.878 1.00 0.28 H new ATOM 0 HD12 ILE A 18 3.343 1.171 -7.277 1.00 0.28 H new ATOM 0 HD13 ILE A 18 4.109 2.668 -7.861 1.00 0.28 H new ATOM 263 N ALA A 19 7.971 -1.143 -6.471 1.00 0.23 N ATOM 264 CA ALA A 19 9.003 -1.311 -5.471 1.00 0.26 C ATOM 265 C ALA A 19 9.961 -2.422 -5.883 1.00 0.26 C ATOM 266 O ALA A 19 11.153 -2.370 -5.608 1.00 0.34 O ATOM 267 CB ALA A 19 8.362 -1.628 -4.124 1.00 0.28 C ATOM 0 H ALA A 19 7.063 -1.520 -6.199 1.00 0.23 H new ATOM 0 HA ALA A 19 9.572 -0.386 -5.383 1.00 0.26 H new ATOM 0 HB1 ALA A 19 9.140 -1.754 -3.371 1.00 0.28 H new ATOM 0 HB2 ALA A 19 7.705 -0.809 -3.832 1.00 0.28 H new ATOM 0 HB3 ALA A 19 7.782 -2.548 -4.204 1.00 0.28 H new ATOM 273 N GLY A 20 9.422 -3.429 -6.541 1.00 0.23 N ATOM 274 CA GLY A 20 10.225 -4.549 -6.987 1.00 0.26 C ATOM 275 C GLY A 20 10.405 -5.563 -5.884 1.00 0.29 C ATOM 276 O GLY A 20 11.169 -6.512 -6.007 1.00 0.46 O ATOM 0 H GLY A 20 8.432 -3.494 -6.778 1.00 0.23 H new ATOM 0 HA2 GLY A 20 9.749 -5.022 -7.846 1.00 0.26 H new ATOM 0 HA3 GLY A 20 11.200 -4.192 -7.319 1.00 0.26 H new ATOM 280 N ILE A 21 9.682 -5.359 -4.816 1.00 0.27 N ATOM 281 CA ILE A 21 9.744 -6.223 -3.663 1.00 0.30 C ATOM 282 C ILE A 21 8.785 -7.383 -3.887 1.00 0.28 C ATOM 283 O ILE A 21 7.726 -7.171 -4.488 1.00 0.28 O ATOM 284 CB ILE A 21 9.342 -5.445 -2.362 1.00 0.32 C ATOM 285 CG1 ILE A 21 10.293 -4.254 -2.115 1.00 0.37 C ATOM 286 CG2 ILE A 21 9.291 -6.360 -1.135 1.00 0.36 C ATOM 287 CD1 ILE A 21 11.756 -4.636 -1.959 1.00 0.42 C ATOM 0 H ILE A 21 9.027 -4.583 -4.719 1.00 0.27 H new ATOM 0 HA ILE A 21 10.763 -6.588 -3.535 1.00 0.30 H new ATOM 0 HB ILE A 21 8.335 -5.058 -2.520 1.00 0.32 H new ATOM 0 HG12 ILE A 21 10.200 -3.553 -2.945 1.00 0.37 H new ATOM 0 HG13 ILE A 21 9.970 -3.728 -1.216 1.00 0.37 H new ATOM 0 HG21 ILE A 21 9.008 -5.777 -0.258 1.00 0.36 H new ATOM 0 HG22 ILE A 21 8.556 -7.148 -1.299 1.00 0.36 H new ATOM 0 HG23 ILE A 21 10.272 -6.807 -0.973 1.00 0.36 H new ATOM 0 HD11 ILE A 21 12.350 -3.738 -1.789 1.00 0.42 H new ATOM 0 HD12 ILE A 21 11.867 -5.311 -1.110 1.00 0.42 H new ATOM 0 HD13 ILE A 21 12.101 -5.133 -2.866 1.00 0.42 H new ATOM 299 N PRO A 22 9.195 -8.625 -3.518 1.00 0.31 N ATOM 300 CA PRO A 22 8.374 -9.827 -3.562 1.00 0.34 C ATOM 301 C PRO A 22 6.901 -9.582 -3.284 1.00 0.30 C ATOM 302 O PRO A 22 6.507 -9.150 -2.193 1.00 0.28 O ATOM 303 CB PRO A 22 8.987 -10.712 -2.457 1.00 0.39 C ATOM 304 CG PRO A 22 10.251 -10.013 -2.030 1.00 0.41 C ATOM 305 CD PRO A 22 10.534 -8.982 -3.080 1.00 0.36 C ATOM 0 HA PRO A 22 8.383 -10.270 -4.558 1.00 0.34 H new ATOM 0 HB2 PRO A 22 8.299 -10.824 -1.619 1.00 0.39 H new ATOM 0 HB3 PRO A 22 9.200 -11.713 -2.831 1.00 0.39 H new ATOM 0 HG2 PRO A 22 10.127 -9.548 -1.052 1.00 0.41 H new ATOM 0 HG3 PRO A 22 11.077 -10.719 -1.945 1.00 0.41 H new ATOM 0 HD2 PRO A 22 11.074 -8.125 -2.676 1.00 0.36 H new ATOM 0 HD3 PRO A 22 11.137 -9.383 -3.895 1.00 0.36 H new ATOM 313 N VAL A 23 6.095 -9.924 -4.268 1.00 0.31 N ATOM 314 CA VAL A 23 4.640 -9.754 -4.247 1.00 0.29 C ATOM 315 C VAL A 23 4.022 -10.705 -3.221 1.00 0.29 C ATOM 316 O VAL A 23 2.879 -10.569 -2.781 1.00 0.42 O ATOM 317 CB VAL A 23 4.074 -10.054 -5.669 1.00 0.36 C ATOM 318 CG1 VAL A 23 4.250 -11.508 -6.086 1.00 0.69 C ATOM 319 CG2 VAL A 23 2.659 -9.578 -5.855 1.00 0.41 C ATOM 0 H VAL A 23 6.435 -10.341 -5.134 1.00 0.31 H new ATOM 0 HA VAL A 23 4.391 -8.731 -3.966 1.00 0.29 H new ATOM 0 HB VAL A 23 4.686 -9.463 -6.350 1.00 0.36 H new ATOM 0 HG11 VAL A 23 3.836 -11.653 -7.084 1.00 0.69 H new ATOM 0 HG12 VAL A 23 5.311 -11.759 -6.093 1.00 0.69 H new ATOM 0 HG13 VAL A 23 3.729 -12.155 -5.380 1.00 0.69 H new ATOM 0 HG21 VAL A 23 2.325 -9.817 -6.865 1.00 0.41 H new ATOM 0 HG22 VAL A 23 2.011 -10.072 -5.131 1.00 0.41 H new ATOM 0 HG23 VAL A 23 2.615 -8.499 -5.704 1.00 0.41 H new ATOM 329 N GLU A 24 4.835 -11.607 -2.817 1.00 0.31 N ATOM 330 CA GLU A 24 4.474 -12.639 -1.911 1.00 0.36 C ATOM 331 C GLU A 24 4.885 -12.285 -0.495 1.00 0.35 C ATOM 332 O GLU A 24 4.376 -12.849 0.465 1.00 0.48 O ATOM 333 CB GLU A 24 5.156 -13.917 -2.317 1.00 0.55 C ATOM 334 CG GLU A 24 4.816 -14.389 -3.706 1.00 1.41 C ATOM 335 CD GLU A 24 5.772 -15.431 -4.160 1.00 1.82 C ATOM 336 OE1 GLU A 24 5.682 -16.580 -3.693 1.00 2.34 O ATOM 337 OE2 GLU A 24 6.659 -15.110 -4.962 1.00 2.01 O ATOM 0 H GLU A 24 5.809 -11.652 -3.118 1.00 0.31 H new ATOM 0 HA GLU A 24 3.391 -12.762 -1.940 1.00 0.36 H new ATOM 0 HB2 GLU A 24 6.235 -13.777 -2.248 1.00 0.55 H new ATOM 0 HB3 GLU A 24 4.890 -14.699 -1.605 1.00 0.55 H new ATOM 0 HG2 GLU A 24 3.802 -14.789 -3.721 1.00 1.41 H new ATOM 0 HG3 GLU A 24 4.836 -13.546 -4.396 1.00 1.41 H new ATOM 344 N ASP A 25 5.791 -11.334 -0.361 1.00 0.30 N ATOM 345 CA ASP A 25 6.307 -10.981 0.958 1.00 0.32 C ATOM 346 C ASP A 25 5.456 -9.880 1.537 1.00 0.29 C ATOM 347 O ASP A 25 5.615 -9.466 2.667 1.00 0.32 O ATOM 348 CB ASP A 25 7.776 -10.549 0.880 1.00 0.38 C ATOM 349 CG ASP A 25 8.444 -10.514 2.238 1.00 0.46 C ATOM 350 OD1 ASP A 25 8.836 -11.559 2.760 1.00 0.69 O ATOM 351 OD2 ASP A 25 8.577 -9.409 2.808 1.00 0.53 O ATOM 0 H ASP A 25 6.183 -10.796 -1.134 1.00 0.30 H new ATOM 0 HA ASP A 25 6.262 -11.856 1.606 1.00 0.32 H new ATOM 0 HB2 ASP A 25 8.319 -11.235 0.230 1.00 0.38 H new ATOM 0 HB3 ASP A 25 7.837 -9.561 0.423 1.00 0.38 H new ATOM 356 N VAL A 26 4.515 -9.447 0.749 1.00 0.27 N ATOM 357 CA VAL A 26 3.574 -8.431 1.120 1.00 0.27 C ATOM 358 C VAL A 26 2.492 -9.052 2.034 1.00 0.29 C ATOM 359 O VAL A 26 1.389 -9.420 1.609 1.00 0.37 O ATOM 360 CB VAL A 26 2.974 -7.776 -0.161 1.00 0.29 C ATOM 361 CG1 VAL A 26 1.909 -6.752 0.164 1.00 0.40 C ATOM 362 CG2 VAL A 26 4.087 -7.104 -0.955 1.00 0.38 C ATOM 0 H VAL A 26 4.377 -9.802 -0.197 1.00 0.27 H new ATOM 0 HA VAL A 26 4.066 -7.638 1.683 1.00 0.27 H new ATOM 0 HB VAL A 26 2.507 -8.568 -0.746 1.00 0.29 H new ATOM 0 HG11 VAL A 26 1.522 -6.324 -0.761 1.00 0.40 H new ATOM 0 HG12 VAL A 26 1.097 -7.232 0.710 1.00 0.40 H new ATOM 0 HG13 VAL A 26 2.340 -5.961 0.777 1.00 0.40 H new ATOM 0 HG21 VAL A 26 3.669 -6.646 -1.851 1.00 0.38 H new ATOM 0 HG22 VAL A 26 4.559 -6.337 -0.342 1.00 0.38 H new ATOM 0 HG23 VAL A 26 4.830 -7.848 -1.241 1.00 0.38 H new ATOM 372 N LYS A 27 2.917 -9.318 3.250 1.00 0.33 N ATOM 373 CA LYS A 27 2.073 -9.829 4.310 1.00 0.38 C ATOM 374 C LYS A 27 1.552 -8.624 5.042 1.00 0.43 C ATOM 375 O LYS A 27 1.895 -7.533 4.681 1.00 0.98 O ATOM 376 CB LYS A 27 2.903 -10.644 5.284 1.00 0.57 C ATOM 377 CG LYS A 27 3.812 -11.662 4.632 1.00 0.47 C ATOM 378 CD LYS A 27 4.720 -12.311 5.655 1.00 0.96 C ATOM 379 CE LYS A 27 5.599 -13.355 5.013 1.00 1.16 C ATOM 380 NZ LYS A 27 6.602 -13.905 5.957 1.00 1.67 N ATOM 0 H LYS A 27 3.886 -9.181 3.537 1.00 0.33 H new ATOM 0 HA LYS A 27 1.278 -10.456 3.907 1.00 0.38 H new ATOM 0 HB2 LYS A 27 3.509 -9.964 5.883 1.00 0.57 H new ATOM 0 HB3 LYS A 27 2.232 -11.161 5.970 1.00 0.57 H new ATOM 0 HG2 LYS A 27 3.213 -12.425 4.136 1.00 0.47 H new ATOM 0 HG3 LYS A 27 4.413 -11.178 3.862 1.00 0.47 H new ATOM 0 HD2 LYS A 27 5.340 -11.551 6.130 1.00 0.96 H new ATOM 0 HD3 LYS A 27 4.119 -12.769 6.441 1.00 0.96 H new ATOM 0 HE2 LYS A 27 4.978 -14.166 4.633 1.00 1.16 H new ATOM 0 HE3 LYS A 27 6.111 -12.918 4.156 1.00 1.16 H new ATOM 0 HZ1 LYS A 27 7.182 -14.618 5.471 1.00 1.67 H new ATOM 0 HZ2 LYS A 27 7.213 -13.137 6.300 1.00 1.67 H new ATOM 0 HZ3 LYS A 27 6.115 -14.346 6.763 1.00 1.67 H new ATOM 394 N LEU A 28 0.829 -8.812 6.110 1.00 0.37 N ATOM 395 CA LEU A 28 0.204 -7.675 6.825 1.00 0.37 C ATOM 396 C LEU A 28 1.049 -7.057 7.922 1.00 0.41 C ATOM 397 O LEU A 28 0.623 -6.094 8.565 1.00 0.55 O ATOM 398 CB LEU A 28 -1.198 -7.977 7.349 1.00 0.51 C ATOM 399 CG LEU A 28 -2.348 -7.750 6.368 1.00 0.47 C ATOM 400 CD1 LEU A 28 -2.328 -8.730 5.218 1.00 1.08 C ATOM 401 CD2 LEU A 28 -3.669 -7.774 7.095 1.00 0.99 C ATOM 0 H LEU A 28 0.644 -9.726 6.522 1.00 0.37 H new ATOM 0 HA LEU A 28 0.122 -6.924 6.039 1.00 0.37 H new ATOM 0 HB2 LEU A 28 -1.226 -9.017 7.675 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -1.374 -7.362 8.232 1.00 0.51 H new ATOM 0 HG LEU A 28 -2.214 -6.762 5.927 1.00 0.47 H new ATOM 0 HD11 LEU A 28 -3.165 -8.525 4.551 1.00 1.08 H new ATOM 0 HD12 LEU A 28 -1.392 -8.627 4.668 1.00 1.08 H new ATOM 0 HD13 LEU A 28 -2.412 -9.746 5.604 1.00 1.08 H new ATOM 0 HD21 LEU A 28 -4.479 -7.611 6.384 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -3.800 -8.742 7.579 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -3.684 -6.987 7.849 1.00 0.99 H new ATOM 413 N ASP A 29 2.237 -7.544 8.112 1.00 0.41 N ATOM 414 CA ASP A 29 3.125 -6.992 9.147 1.00 0.51 C ATOM 415 C ASP A 29 4.167 -6.096 8.476 1.00 0.45 C ATOM 416 O ASP A 29 5.087 -5.559 9.096 1.00 0.63 O ATOM 417 CB ASP A 29 3.783 -8.141 9.939 1.00 0.66 C ATOM 418 CG ASP A 29 4.662 -7.682 11.092 1.00 1.43 C ATOM 419 OD1 ASP A 29 4.156 -7.004 12.014 1.00 1.81 O ATOM 420 OD2 ASP A 29 5.890 -7.932 11.065 1.00 2.11 O ATOM 0 H ASP A 29 2.633 -8.318 7.579 1.00 0.41 H new ATOM 0 HA ASP A 29 2.557 -6.390 9.856 1.00 0.51 H new ATOM 0 HB2 ASP A 29 3.001 -8.792 10.330 1.00 0.66 H new ATOM 0 HB3 ASP A 29 4.384 -8.741 9.255 1.00 0.66 H new ATOM 425 N LYS A 30 3.964 -5.893 7.200 1.00 0.31 N ATOM 426 CA LYS A 30 4.898 -5.152 6.385 1.00 0.30 C ATOM 427 C LYS A 30 4.662 -3.647 6.424 1.00 0.28 C ATOM 428 O LYS A 30 3.644 -3.143 5.945 1.00 0.35 O ATOM 429 CB LYS A 30 4.829 -5.657 4.969 1.00 0.33 C ATOM 430 CG LYS A 30 5.146 -7.129 4.858 1.00 0.37 C ATOM 431 CD LYS A 30 6.558 -7.424 5.305 1.00 0.38 C ATOM 432 CE LYS A 30 6.819 -8.910 5.336 1.00 0.48 C ATOM 433 NZ LYS A 30 8.241 -9.217 5.447 1.00 1.02 N ATOM 0 H LYS A 30 3.147 -6.236 6.694 1.00 0.31 H new ATOM 0 HA LYS A 30 5.894 -5.315 6.797 1.00 0.30 H new ATOM 0 HB2 LYS A 30 3.831 -5.474 4.571 1.00 0.33 H new ATOM 0 HB3 LYS A 30 5.527 -5.092 4.352 1.00 0.33 H new ATOM 0 HG2 LYS A 30 4.444 -7.701 5.465 1.00 0.37 H new ATOM 0 HG3 LYS A 30 5.014 -7.454 3.826 1.00 0.37 H new ATOM 0 HD2 LYS A 30 7.265 -6.942 4.630 1.00 0.38 H new ATOM 0 HD3 LYS A 30 6.725 -7.002 6.296 1.00 0.38 H new ATOM 0 HE2 LYS A 30 6.286 -9.353 6.177 1.00 0.48 H new ATOM 0 HE3 LYS A 30 6.420 -9.366 4.430 1.00 0.48 H new ATOM 0 HZ1 LYS A 30 8.362 -10.133 5.925 1.00 1.02 H new ATOM 0 HZ2 LYS A 30 8.661 -9.264 4.497 1.00 1.02 H new ATOM 0 HZ3 LYS A 30 8.715 -8.473 5.999 1.00 1.02 H new ATOM 447 N SER A 31 5.610 -2.941 6.972 1.00 0.26 N ATOM 448 CA SER A 31 5.575 -1.514 7.072 1.00 0.28 C ATOM 449 C SER A 31 6.243 -0.827 5.860 1.00 0.43 C ATOM 450 O SER A 31 6.743 0.309 5.971 1.00 1.05 O ATOM 451 CB SER A 31 6.318 -1.160 8.321 1.00 0.28 C ATOM 452 OG SER A 31 5.793 -1.867 9.430 1.00 1.16 O ATOM 0 H SER A 31 6.451 -3.357 7.372 1.00 0.26 H new ATOM 0 HA SER A 31 4.541 -1.171 7.093 1.00 0.28 H new ATOM 0 HB2 SER A 31 7.376 -1.395 8.201 1.00 0.28 H new ATOM 0 HB3 SER A 31 6.248 -0.087 8.501 1.00 0.28 H new ATOM 0 HG SER A 31 6.292 -1.625 10.238 1.00 1.16 H new ATOM 458 N PHE A 32 6.231 -1.506 4.709 1.00 0.26 N ATOM 459 CA PHE A 32 6.817 -0.993 3.472 1.00 0.25 C ATOM 460 C PHE A 32 8.299 -0.645 3.585 1.00 0.26 C ATOM 461 O PHE A 32 9.127 -1.543 3.730 1.00 0.32 O ATOM 462 CB PHE A 32 5.990 0.136 2.862 1.00 0.32 C ATOM 463 CG PHE A 32 4.738 -0.352 2.231 1.00 0.26 C ATOM 464 CD1 PHE A 32 4.766 -0.796 0.935 1.00 0.33 C ATOM 465 CD2 PHE A 32 3.541 -0.391 2.931 1.00 0.26 C ATOM 466 CE1 PHE A 32 3.625 -1.266 0.331 1.00 0.36 C ATOM 467 CE2 PHE A 32 2.391 -0.863 2.325 1.00 0.28 C ATOM 468 CZ PHE A 32 2.438 -1.302 1.024 1.00 0.32 C ATOM 0 H PHE A 32 5.812 -2.431 4.611 1.00 0.26 H new ATOM 0 HA PHE A 32 6.779 -1.825 2.769 1.00 0.25 H new ATOM 0 HB2 PHE A 32 5.743 0.861 3.638 1.00 0.32 H new ATOM 0 HB3 PHE A 32 6.589 0.659 2.116 1.00 0.32 H new ATOM 0 HD1 PHE A 32 5.694 -0.776 0.383 1.00 0.33 H new ATOM 0 HD2 PHE A 32 3.507 -0.051 3.955 1.00 0.26 H new ATOM 0 HE1 PHE A 32 3.661 -1.609 -0.693 1.00 0.36 H new ATOM 0 HE2 PHE A 32 1.460 -0.886 2.872 1.00 0.28 H new ATOM 0 HZ PHE A 32 1.544 -1.675 0.546 1.00 0.32 H new ATOM 478 N THR A 33 8.634 0.626 3.552 1.00 0.27 N ATOM 479 CA THR A 33 10.013 1.088 3.668 1.00 0.31 C ATOM 480 C THR A 33 10.525 0.984 5.106 1.00 0.33 C ATOM 481 O THR A 33 10.701 1.983 5.810 1.00 0.47 O ATOM 482 CB THR A 33 10.102 2.513 3.152 1.00 0.37 C ATOM 483 OG1 THR A 33 8.837 3.150 3.414 1.00 0.47 O ATOM 484 CG2 THR A 33 10.397 2.524 1.661 1.00 0.39 C ATOM 0 H THR A 33 7.956 1.380 3.443 1.00 0.27 H new ATOM 0 HA THR A 33 10.653 0.445 3.064 1.00 0.31 H new ATOM 0 HB THR A 33 10.911 3.046 3.652 1.00 0.37 H new ATOM 0 HG1 THR A 33 8.864 4.075 3.093 1.00 0.47 H new ATOM 0 HG21 THR A 33 10.457 3.554 1.310 1.00 0.39 H new ATOM 0 HG22 THR A 33 11.346 2.021 1.474 1.00 0.39 H new ATOM 0 HG23 THR A 33 9.600 2.005 1.129 1.00 0.39 H new ATOM 492 N ASP A 34 10.677 -0.246 5.532 1.00 0.34 N ATOM 493 CA ASP A 34 11.096 -0.613 6.864 1.00 0.39 C ATOM 494 C ASP A 34 11.312 -2.106 6.884 1.00 0.42 C ATOM 495 O ASP A 34 12.406 -2.588 7.121 1.00 0.57 O ATOM 496 CB ASP A 34 10.005 -0.254 7.884 1.00 0.43 C ATOM 497 CG ASP A 34 10.334 -0.712 9.285 1.00 0.59 C ATOM 498 OD1 ASP A 34 10.997 0.031 10.020 1.00 0.72 O ATOM 499 OD2 ASP A 34 9.961 -1.839 9.656 1.00 0.73 O ATOM 0 H ASP A 34 10.505 -1.054 4.934 1.00 0.34 H new ATOM 0 HA ASP A 34 12.009 -0.079 7.125 1.00 0.39 H new ATOM 0 HB2 ASP A 34 9.858 0.826 7.886 1.00 0.43 H new ATOM 0 HB3 ASP A 34 9.062 -0.703 7.573 1.00 0.43 H new ATOM 504 N ASP A 35 10.256 -2.831 6.576 1.00 0.36 N ATOM 505 CA ASP A 35 10.319 -4.289 6.580 1.00 0.43 C ATOM 506 C ASP A 35 10.648 -4.776 5.180 1.00 0.44 C ATOM 507 O ASP A 35 11.576 -5.556 4.981 1.00 0.58 O ATOM 508 CB ASP A 35 8.987 -4.891 7.033 1.00 0.48 C ATOM 509 CG ASP A 35 9.147 -6.311 7.530 1.00 0.95 C ATOM 510 OD1 ASP A 35 9.385 -7.225 6.725 1.00 1.34 O ATOM 511 OD2 ASP A 35 9.025 -6.531 8.733 1.00 1.46 O ATOM 0 H ASP A 35 9.348 -2.444 6.321 1.00 0.36 H new ATOM 0 HA ASP A 35 11.093 -4.606 7.279 1.00 0.43 H new ATOM 0 HB2 ASP A 35 8.562 -4.275 7.825 1.00 0.48 H new ATOM 0 HB3 ASP A 35 8.281 -4.875 6.203 1.00 0.48 H new ATOM 516 N LEU A 36 9.885 -4.275 4.205 1.00 0.36 N ATOM 517 CA LEU A 36 10.100 -4.605 2.801 1.00 0.39 C ATOM 518 C LEU A 36 11.379 -3.927 2.342 1.00 0.46 C ATOM 519 O LEU A 36 12.266 -4.562 1.799 1.00 0.58 O ATOM 520 CB LEU A 36 8.920 -4.105 1.938 1.00 0.35 C ATOM 521 CG LEU A 36 7.517 -4.625 2.287 1.00 0.33 C ATOM 522 CD1 LEU A 36 6.480 -3.991 1.381 1.00 0.35 C ATOM 523 CD2 LEU A 36 7.436 -6.133 2.175 1.00 0.34 C ATOM 0 H LEU A 36 9.108 -3.635 4.368 1.00 0.36 H new ATOM 0 HA LEU A 36 10.175 -5.687 2.690 1.00 0.39 H new ATOM 0 HB2 LEU A 36 8.899 -3.017 1.994 1.00 0.35 H new ATOM 0 HB3 LEU A 36 9.127 -4.366 0.900 1.00 0.35 H new ATOM 0 HG LEU A 36 7.315 -4.350 3.322 1.00 0.33 H new ATOM 0 HD11 LEU A 36 5.491 -4.369 1.640 1.00 0.35 H new ATOM 0 HD12 LEU A 36 6.499 -2.909 1.507 1.00 0.35 H new ATOM 0 HD13 LEU A 36 6.703 -4.239 0.343 1.00 0.35 H new ATOM 0 HD21 LEU A 36 6.429 -6.463 2.429 1.00 0.34 H new ATOM 0 HD22 LEU A 36 7.670 -6.435 1.154 1.00 0.34 H new ATOM 0 HD23 LEU A 36 8.151 -6.588 2.861 1.00 0.34 H new ATOM 535 N ASP A 37 11.429 -2.605 2.576 1.00 0.41 N ATOM 536 CA ASP A 37 12.592 -1.757 2.298 1.00 0.52 C ATOM 537 C ASP A 37 12.853 -1.617 0.822 1.00 0.63 C ATOM 538 O ASP A 37 13.448 -2.484 0.181 1.00 0.85 O ATOM 539 CB ASP A 37 13.856 -2.206 3.048 1.00 0.75 C ATOM 540 CG ASP A 37 15.062 -1.349 2.715 1.00 0.91 C ATOM 541 OD1 ASP A 37 15.096 -0.180 3.132 1.00 1.02 O ATOM 542 OD2 ASP A 37 16.019 -1.845 2.056 1.00 1.14 O ATOM 0 H ASP A 37 10.644 -2.089 2.972 1.00 0.41 H new ATOM 0 HA ASP A 37 12.335 -0.770 2.682 1.00 0.52 H new ATOM 0 HB2 ASP A 37 13.671 -2.167 4.122 1.00 0.75 H new ATOM 0 HB3 ASP A 37 14.073 -3.245 2.800 1.00 0.75 H new ATOM 547 N VAL A 38 12.353 -0.560 0.272 1.00 0.56 N ATOM 548 CA VAL A 38 12.539 -0.301 -1.105 1.00 0.80 C ATOM 549 C VAL A 38 13.284 1.023 -1.379 1.00 0.70 C ATOM 550 O VAL A 38 14.511 1.037 -1.431 1.00 0.96 O ATOM 551 CB VAL A 38 11.203 -0.445 -1.893 1.00 1.06 C ATOM 552 CG1 VAL A 38 10.030 0.346 -1.272 1.00 0.89 C ATOM 553 CG2 VAL A 38 11.404 -0.111 -3.359 1.00 1.79 C ATOM 0 H VAL A 38 11.806 0.143 0.769 1.00 0.56 H new ATOM 0 HA VAL A 38 13.209 -1.070 -1.489 1.00 0.80 H new ATOM 0 HB VAL A 38 10.910 -1.492 -1.819 1.00 1.06 H new ATOM 0 HG11 VAL A 38 9.133 0.199 -1.874 1.00 0.89 H new ATOM 0 HG12 VAL A 38 9.849 -0.009 -0.257 1.00 0.89 H new ATOM 0 HG13 VAL A 38 10.280 1.407 -1.246 1.00 0.89 H new ATOM 0 HG21 VAL A 38 10.458 -0.218 -3.890 1.00 1.79 H new ATOM 0 HG22 VAL A 38 11.758 0.915 -3.453 1.00 1.79 H new ATOM 0 HG23 VAL A 38 12.140 -0.790 -3.789 1.00 1.79 H new ATOM 563 N ASP A 39 12.567 2.114 -1.484 1.00 0.50 N ATOM 564 CA ASP A 39 13.124 3.385 -1.902 1.00 0.50 C ATOM 565 C ASP A 39 12.078 4.427 -1.568 1.00 0.53 C ATOM 566 O ASP A 39 11.020 4.087 -1.035 1.00 0.78 O ATOM 567 CB ASP A 39 13.354 3.377 -3.435 1.00 0.56 C ATOM 568 CG ASP A 39 14.298 4.458 -3.947 1.00 0.66 C ATOM 569 OD1 ASP A 39 13.896 5.644 -3.995 1.00 0.69 O ATOM 570 OD2 ASP A 39 15.460 4.140 -4.288 1.00 0.79 O ATOM 0 H ASP A 39 11.568 2.149 -1.280 1.00 0.50 H new ATOM 0 HA ASP A 39 14.076 3.584 -1.409 1.00 0.50 H new ATOM 0 HB2 ASP A 39 13.750 2.403 -3.723 1.00 0.56 H new ATOM 0 HB3 ASP A 39 12.391 3.490 -3.933 1.00 0.56 H new ATOM 575 N SER A 40 12.318 5.622 -1.950 1.00 0.59 N ATOM 576 CA SER A 40 11.467 6.721 -1.669 1.00 0.68 C ATOM 577 C SER A 40 10.510 6.922 -2.830 1.00 0.64 C ATOM 578 O SER A 40 9.311 7.152 -2.645 1.00 0.71 O ATOM 579 CB SER A 40 12.327 7.961 -1.482 1.00 0.90 C ATOM 580 OG SER A 40 11.510 9.112 -1.162 1.00 1.23 O ATOM 0 H SER A 40 13.146 5.876 -2.489 1.00 0.59 H new ATOM 0 HA SER A 40 10.890 6.535 -0.763 1.00 0.68 H new ATOM 0 HB2 SER A 40 13.050 7.790 -0.685 1.00 0.90 H new ATOM 0 HB3 SER A 40 12.895 8.155 -2.392 1.00 0.90 H new ATOM 0 HG SER A 40 12.084 9.898 -1.044 1.00 1.23 H new ATOM 585 N LEU A 41 11.024 6.724 -4.015 1.00 0.60 N ATOM 586 CA LEU A 41 10.279 7.014 -5.236 1.00 0.64 C ATOM 587 C LEU A 41 9.212 5.975 -5.452 1.00 0.54 C ATOM 588 O LEU A 41 8.073 6.279 -5.832 1.00 0.60 O ATOM 589 CB LEU A 41 11.215 7.081 -6.447 1.00 0.75 C ATOM 590 CG LEU A 41 12.338 8.122 -6.381 1.00 0.89 C ATOM 591 CD1 LEU A 41 13.140 8.119 -7.672 1.00 1.02 C ATOM 592 CD2 LEU A 41 11.782 9.512 -6.100 1.00 1.02 C ATOM 0 H LEU A 41 11.964 6.360 -4.173 1.00 0.60 H new ATOM 0 HA LEU A 41 9.804 7.988 -5.124 1.00 0.64 H new ATOM 0 HB2 LEU A 41 11.667 6.099 -6.585 1.00 0.75 H new ATOM 0 HB3 LEU A 41 10.614 7.282 -7.333 1.00 0.75 H new ATOM 0 HG LEU A 41 13.000 7.853 -5.558 1.00 0.89 H new ATOM 0 HD11 LEU A 41 13.933 8.864 -7.609 1.00 1.02 H new ATOM 0 HD12 LEU A 41 13.579 7.133 -7.825 1.00 1.02 H new ATOM 0 HD13 LEU A 41 12.484 8.358 -8.509 1.00 1.02 H new ATOM 0 HD21 LEU A 41 12.601 10.230 -6.059 1.00 1.02 H new ATOM 0 HD22 LEU A 41 11.091 9.795 -6.894 1.00 1.02 H new ATOM 0 HD23 LEU A 41 11.255 9.507 -5.146 1.00 1.02 H new ATOM 604 N SER A 42 9.554 4.757 -5.118 1.00 0.43 N ATOM 605 CA SER A 42 8.660 3.648 -5.271 1.00 0.38 C ATOM 606 C SER A 42 7.581 3.689 -4.206 1.00 0.30 C ATOM 607 O SER A 42 6.556 3.034 -4.317 1.00 0.33 O ATOM 608 CB SER A 42 9.448 2.360 -5.195 1.00 0.39 C ATOM 609 OG SER A 42 10.500 2.379 -6.136 1.00 1.02 O ATOM 0 H SER A 42 10.465 4.510 -4.731 1.00 0.43 H new ATOM 0 HA SER A 42 8.169 3.705 -6.243 1.00 0.38 H new ATOM 0 HB2 SER A 42 9.850 2.230 -4.190 1.00 0.39 H new ATOM 0 HB3 SER A 42 8.792 1.511 -5.388 1.00 0.39 H new ATOM 0 HG SER A 42 11.006 1.541 -6.078 1.00 1.02 H new ATOM 615 N MET A 43 7.813 4.486 -3.189 1.00 0.26 N ATOM 616 CA MET A 43 6.874 4.631 -2.124 1.00 0.26 C ATOM 617 C MET A 43 5.791 5.595 -2.535 1.00 0.25 C ATOM 618 O MET A 43 4.623 5.331 -2.367 1.00 0.26 O ATOM 619 CB MET A 43 7.573 5.118 -0.872 1.00 0.35 C ATOM 620 CG MET A 43 6.664 5.223 0.335 1.00 0.48 C ATOM 621 SD MET A 43 5.792 3.690 0.641 1.00 0.55 S ATOM 622 CE MET A 43 7.173 2.577 0.651 1.00 0.52 C ATOM 0 H MET A 43 8.659 5.047 -3.085 1.00 0.26 H new ATOM 0 HA MET A 43 6.423 3.663 -1.908 1.00 0.26 H new ATOM 0 HB2 MET A 43 8.394 4.440 -0.639 1.00 0.35 H new ATOM 0 HB3 MET A 43 8.013 6.095 -1.070 1.00 0.35 H new ATOM 0 HG2 MET A 43 7.253 5.488 1.213 1.00 0.48 H new ATOM 0 HG3 MET A 43 5.944 6.027 0.180 1.00 0.48 H new ATOM 0 HE1 MET A 43 6.952 1.717 0.019 1.00 0.52 H new ATOM 0 HE2 MET A 43 8.056 3.090 0.270 1.00 0.52 H new ATOM 0 HE3 MET A 43 7.361 2.240 1.670 1.00 0.52 H new ATOM 632 N VAL A 44 6.193 6.685 -3.130 1.00 0.29 N ATOM 633 CA VAL A 44 5.268 7.684 -3.583 1.00 0.33 C ATOM 634 C VAL A 44 4.375 7.086 -4.668 1.00 0.26 C ATOM 635 O VAL A 44 3.156 7.271 -4.651 1.00 0.28 O ATOM 636 CB VAL A 44 6.019 8.938 -4.102 1.00 0.47 C ATOM 637 CG1 VAL A 44 5.043 10.016 -4.571 1.00 0.55 C ATOM 638 CG2 VAL A 44 6.934 9.489 -3.008 1.00 0.56 C ATOM 0 H VAL A 44 7.172 6.904 -3.314 1.00 0.29 H new ATOM 0 HA VAL A 44 4.645 8.004 -2.748 1.00 0.33 H new ATOM 0 HB VAL A 44 6.624 8.641 -4.959 1.00 0.47 H new ATOM 0 HG11 VAL A 44 5.601 10.881 -4.929 1.00 0.55 H new ATOM 0 HG12 VAL A 44 4.427 9.622 -5.379 1.00 0.55 H new ATOM 0 HG13 VAL A 44 4.404 10.315 -3.740 1.00 0.55 H new ATOM 0 HG21 VAL A 44 7.458 10.369 -3.381 1.00 0.56 H new ATOM 0 HG22 VAL A 44 6.337 9.763 -2.138 1.00 0.56 H new ATOM 0 HG23 VAL A 44 7.661 8.728 -2.724 1.00 0.56 H new ATOM 648 N GLU A 45 4.971 6.293 -5.563 1.00 0.24 N ATOM 649 CA GLU A 45 4.215 5.690 -6.610 1.00 0.22 C ATOM 650 C GLU A 45 3.348 4.551 -6.104 1.00 0.19 C ATOM 651 O GLU A 45 2.299 4.324 -6.645 1.00 0.21 O ATOM 652 CB GLU A 45 5.104 5.239 -7.753 1.00 0.29 C ATOM 653 CG GLU A 45 5.831 6.379 -8.432 1.00 0.47 C ATOM 654 CD GLU A 45 6.619 5.926 -9.621 1.00 1.18 C ATOM 655 OE1 GLU A 45 6.060 5.827 -10.720 1.00 1.25 O ATOM 656 OE2 GLU A 45 7.832 5.639 -9.474 1.00 2.08 O ATOM 0 H GLU A 45 5.966 6.069 -5.566 1.00 0.24 H new ATOM 0 HA GLU A 45 3.544 6.458 -6.996 1.00 0.22 H new ATOM 0 HB2 GLU A 45 5.835 4.525 -7.375 1.00 0.29 H new ATOM 0 HB3 GLU A 45 4.497 4.714 -8.491 1.00 0.29 H new ATOM 0 HG2 GLU A 45 5.108 7.132 -8.744 1.00 0.47 H new ATOM 0 HG3 GLU A 45 6.500 6.857 -7.717 1.00 0.47 H new ATOM 663 N VAL A 46 3.768 3.850 -5.044 1.00 0.20 N ATOM 664 CA VAL A 46 2.957 2.739 -4.519 1.00 0.22 C ATOM 665 C VAL A 46 1.686 3.294 -3.897 1.00 0.25 C ATOM 666 O VAL A 46 0.613 2.711 -4.013 1.00 0.31 O ATOM 667 CB VAL A 46 3.746 1.825 -3.510 1.00 0.27 C ATOM 668 CG1 VAL A 46 3.916 2.408 -2.122 1.00 0.52 C ATOM 669 CG2 VAL A 46 3.211 0.414 -3.462 1.00 0.49 C ATOM 0 H VAL A 46 4.639 4.023 -4.543 1.00 0.20 H new ATOM 0 HA VAL A 46 2.697 2.090 -5.355 1.00 0.22 H new ATOM 0 HB VAL A 46 4.753 1.783 -3.925 1.00 0.27 H new ATOM 0 HG11 VAL A 46 4.471 1.707 -1.498 1.00 0.52 H new ATOM 0 HG12 VAL A 46 4.463 3.348 -2.187 1.00 0.52 H new ATOM 0 HG13 VAL A 46 2.936 2.588 -1.681 1.00 0.52 H new ATOM 0 HG21 VAL A 46 3.793 -0.172 -2.750 1.00 0.49 H new ATOM 0 HG22 VAL A 46 2.167 0.431 -3.150 1.00 0.49 H new ATOM 0 HG23 VAL A 46 3.287 -0.038 -4.451 1.00 0.49 H new ATOM 679 N VAL A 47 1.837 4.444 -3.272 1.00 0.25 N ATOM 680 CA VAL A 47 0.712 5.201 -2.723 1.00 0.28 C ATOM 681 C VAL A 47 -0.217 5.594 -3.872 1.00 0.27 C ATOM 682 O VAL A 47 -1.366 5.166 -3.918 1.00 0.30 O ATOM 683 CB VAL A 47 1.202 6.486 -1.987 1.00 0.31 C ATOM 684 CG1 VAL A 47 0.025 7.304 -1.475 1.00 0.38 C ATOM 685 CG2 VAL A 47 2.111 6.124 -0.829 1.00 0.32 C ATOM 0 H VAL A 47 2.744 4.888 -3.126 1.00 0.25 H new ATOM 0 HA VAL A 47 0.186 4.578 -1.999 1.00 0.28 H new ATOM 0 HB VAL A 47 1.760 7.087 -2.706 1.00 0.31 H new ATOM 0 HG11 VAL A 47 0.395 8.194 -0.966 1.00 0.38 H new ATOM 0 HG12 VAL A 47 -0.604 7.601 -2.314 1.00 0.38 H new ATOM 0 HG13 VAL A 47 -0.559 6.704 -0.778 1.00 0.38 H new ATOM 0 HG21 VAL A 47 2.442 7.034 -0.328 1.00 0.32 H new ATOM 0 HG22 VAL A 47 1.567 5.498 -0.122 1.00 0.32 H new ATOM 0 HG23 VAL A 47 2.978 5.580 -1.203 1.00 0.32 H new ATOM 695 N VAL A 48 0.308 6.406 -4.793 1.00 0.25 N ATOM 696 CA VAL A 48 -0.435 6.840 -6.000 1.00 0.28 C ATOM 697 C VAL A 48 -1.101 5.650 -6.750 1.00 0.28 C ATOM 698 O VAL A 48 -2.278 5.716 -7.132 1.00 0.31 O ATOM 699 CB VAL A 48 0.494 7.623 -6.974 1.00 0.35 C ATOM 700 CG1 VAL A 48 -0.230 7.973 -8.265 1.00 0.56 C ATOM 701 CG2 VAL A 48 1.002 8.896 -6.313 1.00 0.58 C ATOM 0 H VAL A 48 1.253 6.784 -4.733 1.00 0.25 H new ATOM 0 HA VAL A 48 -1.231 7.499 -5.652 1.00 0.28 H new ATOM 0 HB VAL A 48 1.339 6.978 -7.215 1.00 0.35 H new ATOM 0 HG11 VAL A 48 0.445 8.519 -8.924 1.00 0.56 H new ATOM 0 HG12 VAL A 48 -0.557 7.058 -8.758 1.00 0.56 H new ATOM 0 HG13 VAL A 48 -1.097 8.593 -8.039 1.00 0.56 H new ATOM 0 HG21 VAL A 48 1.650 9.432 -7.006 1.00 0.58 H new ATOM 0 HG22 VAL A 48 0.156 9.529 -6.044 1.00 0.58 H new ATOM 0 HG23 VAL A 48 1.564 8.640 -5.415 1.00 0.58 H new ATOM 711 N ALA A 49 -0.361 4.584 -6.961 1.00 0.29 N ATOM 712 CA ALA A 49 -0.889 3.423 -7.654 1.00 0.34 C ATOM 713 C ALA A 49 -1.989 2.743 -6.866 1.00 0.36 C ATOM 714 O ALA A 49 -2.924 2.229 -7.449 1.00 0.42 O ATOM 715 CB ALA A 49 0.196 2.439 -7.981 1.00 0.38 C ATOM 0 H ALA A 49 0.610 4.494 -6.663 1.00 0.29 H new ATOM 0 HA ALA A 49 -1.320 3.787 -8.587 1.00 0.34 H new ATOM 0 HB1 ALA A 49 -0.234 1.582 -8.499 1.00 0.38 H new ATOM 0 HB2 ALA A 49 0.938 2.915 -8.621 1.00 0.38 H new ATOM 0 HB3 ALA A 49 0.673 2.104 -7.060 1.00 0.38 H new ATOM 721 N ALA A 50 -1.890 2.753 -5.541 1.00 0.34 N ATOM 722 CA ALA A 50 -2.922 2.161 -4.696 1.00 0.37 C ATOM 723 C ALA A 50 -4.228 2.901 -4.895 1.00 0.36 C ATOM 724 O ALA A 50 -5.305 2.285 -4.981 1.00 0.38 O ATOM 725 CB ALA A 50 -2.515 2.181 -3.234 1.00 0.38 C ATOM 0 H ALA A 50 -1.108 3.163 -5.030 1.00 0.34 H new ATOM 0 HA ALA A 50 -3.052 1.118 -4.986 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.304 1.733 -2.630 1.00 0.38 H new ATOM 0 HB2 ALA A 50 -1.593 1.613 -3.105 1.00 0.38 H new ATOM 0 HB3 ALA A 50 -2.354 3.211 -2.915 1.00 0.38 H new ATOM 731 N GLU A 51 -4.120 4.220 -5.039 1.00 0.36 N ATOM 732 CA GLU A 51 -5.260 5.072 -5.273 1.00 0.39 C ATOM 733 C GLU A 51 -5.955 4.641 -6.544 1.00 0.42 C ATOM 734 O GLU A 51 -7.143 4.462 -6.584 1.00 0.53 O ATOM 735 CB GLU A 51 -4.829 6.505 -5.503 1.00 0.37 C ATOM 736 CG GLU A 51 -3.865 7.100 -4.515 1.00 0.47 C ATOM 737 CD GLU A 51 -3.578 8.528 -4.875 1.00 0.94 C ATOM 738 OE1 GLU A 51 -3.047 8.781 -5.975 1.00 1.36 O ATOM 739 OE2 GLU A 51 -3.916 9.438 -4.114 1.00 1.11 O ATOM 0 H GLU A 51 -3.232 4.720 -4.995 1.00 0.36 H new ATOM 0 HA GLU A 51 -5.907 4.998 -4.399 1.00 0.39 H new ATOM 0 HB2 GLU A 51 -4.379 6.567 -6.494 1.00 0.37 H new ATOM 0 HB3 GLU A 51 -5.723 7.128 -5.520 1.00 0.37 H new ATOM 0 HG2 GLU A 51 -4.283 7.047 -3.510 1.00 0.47 H new ATOM 0 HG3 GLU A 51 -2.939 6.525 -4.507 1.00 0.47 H new ATOM 746 N GLU A 52 -5.166 4.449 -7.560 1.00 0.40 N ATOM 747 CA GLU A 52 -5.635 4.135 -8.886 1.00 0.48 C ATOM 748 C GLU A 52 -6.105 2.664 -8.993 1.00 0.43 C ATOM 749 O GLU A 52 -7.013 2.343 -9.761 1.00 0.55 O ATOM 750 CB GLU A 52 -4.497 4.460 -9.852 1.00 0.61 C ATOM 751 CG GLU A 52 -4.798 4.324 -11.320 1.00 0.77 C ATOM 752 CD GLU A 52 -3.669 4.876 -12.146 1.00 1.23 C ATOM 753 OE1 GLU A 52 -2.662 4.170 -12.347 1.00 2.09 O ATOM 754 OE2 GLU A 52 -3.759 6.041 -12.584 1.00 1.49 O ATOM 0 H GLU A 52 -4.150 4.507 -7.492 1.00 0.40 H new ATOM 0 HA GLU A 52 -6.513 4.730 -9.136 1.00 0.48 H new ATOM 0 HB2 GLU A 52 -4.173 5.484 -9.664 1.00 0.61 H new ATOM 0 HB3 GLU A 52 -3.654 3.811 -9.616 1.00 0.61 H new ATOM 0 HG2 GLU A 52 -4.958 3.275 -11.568 1.00 0.77 H new ATOM 0 HG3 GLU A 52 -5.721 4.852 -11.558 1.00 0.77 H new ATOM 761 N ARG A 53 -5.525 1.806 -8.176 1.00 0.34 N ATOM 762 CA ARG A 53 -5.829 0.375 -8.169 1.00 0.34 C ATOM 763 C ARG A 53 -7.174 0.140 -7.520 1.00 0.31 C ATOM 764 O ARG A 53 -7.989 -0.651 -7.990 1.00 0.44 O ATOM 765 CB ARG A 53 -4.748 -0.372 -7.364 1.00 0.40 C ATOM 766 CG ARG A 53 -4.933 -1.891 -7.208 1.00 0.53 C ATOM 767 CD ARG A 53 -4.539 -2.697 -8.449 1.00 0.70 C ATOM 768 NE ARG A 53 -5.324 -2.375 -9.638 1.00 1.27 N ATOM 769 CZ ARG A 53 -6.218 -3.197 -10.202 1.00 1.88 C ATOM 770 NH1 ARG A 53 -6.544 -4.353 -9.616 1.00 2.23 N ATOM 771 NH2 ARG A 53 -6.786 -2.863 -11.349 1.00 2.75 N ATOM 0 H ARG A 53 -4.822 2.078 -7.489 1.00 0.34 H new ATOM 0 HA ARG A 53 -5.850 0.009 -9.195 1.00 0.34 H new ATOM 0 HB2 ARG A 53 -3.784 -0.193 -7.840 1.00 0.40 H new ATOM 0 HB3 ARG A 53 -4.698 0.069 -6.369 1.00 0.40 H new ATOM 0 HG2 ARG A 53 -4.339 -2.234 -6.361 1.00 0.53 H new ATOM 0 HG3 ARG A 53 -5.976 -2.097 -6.970 1.00 0.53 H new ATOM 0 HD2 ARG A 53 -3.485 -2.523 -8.664 1.00 0.70 H new ATOM 0 HD3 ARG A 53 -4.648 -3.759 -8.230 1.00 0.70 H new ATOM 0 HE ARG A 53 -5.181 -1.461 -10.068 1.00 1.27 H new ATOM 0 HH11 ARG A 53 -6.111 -4.616 -8.731 1.00 2.23 H new ATOM 0 HH12 ARG A 53 -7.226 -4.972 -10.054 1.00 2.23 H new ATOM 0 HH21 ARG A 53 -6.543 -1.982 -11.801 1.00 2.75 H new ATOM 0 HH22 ARG A 53 -7.467 -3.487 -11.781 1.00 2.75 H new ATOM 785 N PHE A 54 -7.397 0.828 -6.434 1.00 0.25 N ATOM 786 CA PHE A 54 -8.599 0.635 -5.671 1.00 0.31 C ATOM 787 C PHE A 54 -9.611 1.726 -5.943 1.00 0.32 C ATOM 788 O PHE A 54 -10.695 1.726 -5.380 1.00 0.36 O ATOM 789 CB PHE A 54 -8.263 0.568 -4.196 1.00 0.38 C ATOM 790 CG PHE A 54 -7.281 -0.511 -3.853 1.00 0.38 C ATOM 791 CD1 PHE A 54 -7.560 -1.833 -4.138 1.00 0.69 C ATOM 792 CD2 PHE A 54 -6.083 -0.202 -3.236 1.00 0.62 C ATOM 793 CE1 PHE A 54 -6.665 -2.824 -3.815 1.00 0.73 C ATOM 794 CE2 PHE A 54 -5.190 -1.189 -2.912 1.00 0.63 C ATOM 795 CZ PHE A 54 -5.463 -2.492 -3.243 1.00 0.46 C ATOM 0 H PHE A 54 -6.760 1.529 -6.057 1.00 0.25 H new ATOM 0 HA PHE A 54 -9.052 -0.308 -5.977 1.00 0.31 H new ATOM 0 HB2 PHE A 54 -7.859 1.530 -3.880 1.00 0.38 H new ATOM 0 HB3 PHE A 54 -9.180 0.406 -3.630 1.00 0.38 H new ATOM 0 HD1 PHE A 54 -8.492 -2.091 -4.620 1.00 0.69 H new ATOM 0 HD2 PHE A 54 -5.849 0.827 -3.007 1.00 0.62 H new ATOM 0 HE1 PHE A 54 -6.906 -3.858 -4.010 1.00 0.73 H new ATOM 0 HE2 PHE A 54 -4.273 -0.942 -2.397 1.00 0.63 H new ATOM 0 HZ PHE A 54 -4.728 -3.260 -3.052 1.00 0.46 H new ATOM 805 N ASP A 55 -9.214 2.675 -6.768 1.00 0.38 N ATOM 806 CA ASP A 55 -10.032 3.831 -7.219 1.00 0.45 C ATOM 807 C ASP A 55 -10.259 4.852 -6.072 1.00 0.50 C ATOM 808 O ASP A 55 -10.852 5.917 -6.258 1.00 0.89 O ATOM 809 CB ASP A 55 -11.359 3.374 -7.861 1.00 0.51 C ATOM 810 CG ASP A 55 -11.982 4.436 -8.735 1.00 1.10 C ATOM 811 OD1 ASP A 55 -11.566 4.606 -9.906 1.00 2.02 O ATOM 812 OD2 ASP A 55 -12.905 5.137 -8.250 1.00 1.24 O ATOM 0 H ASP A 55 -8.277 2.680 -7.171 1.00 0.38 H new ATOM 0 HA ASP A 55 -9.467 4.347 -7.995 1.00 0.45 H new ATOM 0 HB2 ASP A 55 -11.180 2.479 -8.457 1.00 0.51 H new ATOM 0 HB3 ASP A 55 -12.062 3.099 -7.075 1.00 0.51 H new ATOM 817 N VAL A 56 -9.712 4.541 -4.914 1.00 0.40 N ATOM 818 CA VAL A 56 -9.822 5.369 -3.734 1.00 0.48 C ATOM 819 C VAL A 56 -8.551 6.174 -3.543 1.00 0.67 C ATOM 820 O VAL A 56 -7.473 5.621 -3.380 1.00 1.61 O ATOM 821 CB VAL A 56 -10.147 4.528 -2.454 1.00 0.50 C ATOM 822 CG1 VAL A 56 -9.197 3.356 -2.262 1.00 1.07 C ATOM 823 CG2 VAL A 56 -10.145 5.407 -1.211 1.00 1.21 C ATOM 0 H VAL A 56 -9.169 3.690 -4.766 1.00 0.40 H new ATOM 0 HA VAL A 56 -10.657 6.053 -3.884 1.00 0.48 H new ATOM 0 HB VAL A 56 -11.145 4.116 -2.604 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -9.471 2.810 -1.359 1.00 1.07 H new ATOM 0 HG12 VAL A 56 -9.262 2.690 -3.123 1.00 1.07 H new ATOM 0 HG13 VAL A 56 -8.176 3.727 -2.166 1.00 1.07 H new ATOM 0 HG21 VAL A 56 -10.373 4.799 -0.335 1.00 1.21 H new ATOM 0 HG22 VAL A 56 -9.163 5.863 -1.090 1.00 1.21 H new ATOM 0 HG23 VAL A 56 -10.898 6.188 -1.317 1.00 1.21 H new ATOM 833 N LYS A 57 -8.687 7.463 -3.649 1.00 0.51 N ATOM 834 CA LYS A 57 -7.579 8.377 -3.469 1.00 0.49 C ATOM 835 C LYS A 57 -7.040 8.326 -2.056 1.00 0.40 C ATOM 836 O LYS A 57 -7.655 8.841 -1.116 1.00 0.52 O ATOM 837 CB LYS A 57 -7.968 9.804 -3.856 1.00 0.67 C ATOM 838 CG LYS A 57 -8.210 9.989 -5.346 1.00 1.22 C ATOM 839 CD LYS A 57 -6.926 9.847 -6.159 1.00 1.26 C ATOM 840 CE LYS A 57 -5.964 11.010 -5.918 1.00 1.28 C ATOM 841 NZ LYS A 57 -4.706 10.852 -6.682 1.00 1.67 N ATOM 0 H LYS A 57 -9.573 7.921 -3.864 1.00 0.51 H new ATOM 0 HA LYS A 57 -6.781 8.054 -4.138 1.00 0.49 H new ATOM 0 HB2 LYS A 57 -8.870 10.085 -3.313 1.00 0.67 H new ATOM 0 HB3 LYS A 57 -7.179 10.485 -3.538 1.00 0.67 H new ATOM 0 HG2 LYS A 57 -8.938 9.254 -5.688 1.00 1.22 H new ATOM 0 HG3 LYS A 57 -8.643 10.973 -5.523 1.00 1.22 H new ATOM 0 HD2 LYS A 57 -6.434 8.910 -5.899 1.00 1.26 H new ATOM 0 HD3 LYS A 57 -7.172 9.794 -7.219 1.00 1.26 H new ATOM 0 HE2 LYS A 57 -6.446 11.945 -6.202 1.00 1.28 H new ATOM 0 HE3 LYS A 57 -5.737 11.079 -4.854 1.00 1.28 H new ATOM 0 HZ1 LYS A 57 -3.951 11.404 -6.226 1.00 1.67 H new ATOM 0 HZ2 LYS A 57 -4.436 9.848 -6.703 1.00 1.67 H new ATOM 0 HZ3 LYS A 57 -4.845 11.193 -7.655 1.00 1.67 H new ATOM 855 N ILE A 58 -5.943 7.649 -1.918 1.00 0.37 N ATOM 856 CA ILE A 58 -5.224 7.549 -0.687 1.00 0.33 C ATOM 857 C ILE A 58 -4.092 8.543 -0.773 1.00 0.32 C ATOM 858 O ILE A 58 -3.093 8.282 -1.435 1.00 0.35 O ATOM 859 CB ILE A 58 -4.604 6.146 -0.510 1.00 0.33 C ATOM 860 CG1 ILE A 58 -5.661 5.064 -0.703 1.00 0.39 C ATOM 861 CG2 ILE A 58 -3.961 6.023 0.874 1.00 0.38 C ATOM 862 CD1 ILE A 58 -5.092 3.673 -0.743 1.00 0.49 C ATOM 0 H ILE A 58 -5.509 7.134 -2.684 1.00 0.37 H new ATOM 0 HA ILE A 58 -5.898 7.736 0.149 1.00 0.33 H new ATOM 0 HB ILE A 58 -3.832 6.010 -1.268 1.00 0.33 H new ATOM 0 HG12 ILE A 58 -6.388 5.128 0.107 1.00 0.39 H new ATOM 0 HG13 ILE A 58 -6.200 5.255 -1.631 1.00 0.39 H new ATOM 0 HG21 ILE A 58 -3.527 5.029 0.987 1.00 0.38 H new ATOM 0 HG22 ILE A 58 -3.179 6.775 0.980 1.00 0.38 H new ATOM 0 HG23 ILE A 58 -4.719 6.177 1.642 1.00 0.38 H new ATOM 0 HD11 ILE A 58 -5.899 2.954 -0.883 1.00 0.49 H new ATOM 0 HD12 ILE A 58 -4.387 3.592 -1.570 1.00 0.49 H new ATOM 0 HD13 ILE A 58 -4.577 3.463 0.195 1.00 0.49 H new ATOM 874 N PRO A 59 -4.233 9.700 -0.152 1.00 0.39 N ATOM 875 CA PRO A 59 -3.234 10.732 -0.240 1.00 0.44 C ATOM 876 C PRO A 59 -1.946 10.324 0.436 1.00 0.37 C ATOM 877 O PRO A 59 -1.960 9.605 1.445 1.00 0.39 O ATOM 878 CB PRO A 59 -3.844 11.915 0.516 1.00 0.62 C ATOM 879 CG PRO A 59 -5.269 11.576 0.713 1.00 0.57 C ATOM 880 CD PRO A 59 -5.358 10.088 0.695 1.00 0.50 C ATOM 0 HA PRO A 59 -2.985 10.954 -1.278 1.00 0.44 H new ATOM 0 HB2 PRO A 59 -3.343 12.068 1.472 1.00 0.62 H new ATOM 0 HB3 PRO A 59 -3.737 12.839 -0.052 1.00 0.62 H new ATOM 0 HG2 PRO A 59 -5.635 11.975 1.659 1.00 0.57 H new ATOM 0 HG3 PRO A 59 -5.883 12.011 -0.075 1.00 0.57 H new ATOM 0 HD2 PRO A 59 -5.273 9.667 1.697 1.00 0.50 H new ATOM 0 HD3 PRO A 59 -6.308 9.746 0.285 1.00 0.50 H new ATOM 888 N ASP A 60 -0.841 10.800 -0.099 1.00 0.39 N ATOM 889 CA ASP A 60 0.484 10.596 0.477 1.00 0.46 C ATOM 890 C ASP A 60 0.547 11.160 1.894 1.00 0.50 C ATOM 891 O ASP A 60 1.390 10.780 2.679 1.00 0.63 O ATOM 892 CB ASP A 60 1.575 11.251 -0.392 1.00 0.64 C ATOM 893 CG ASP A 60 1.381 12.746 -0.569 1.00 1.34 C ATOM 894 OD1 ASP A 60 1.819 13.520 0.318 1.00 1.93 O ATOM 895 OD2 ASP A 60 0.807 13.177 -1.585 1.00 2.00 O ATOM 0 H ASP A 60 -0.831 11.348 -0.959 1.00 0.39 H new ATOM 0 HA ASP A 60 0.667 9.522 0.512 1.00 0.46 H new ATOM 0 HB2 ASP A 60 2.549 11.069 0.061 1.00 0.64 H new ATOM 0 HB3 ASP A 60 1.585 10.774 -1.372 1.00 0.64 H new ATOM 900 N ASP A 61 -0.350 12.067 2.207 1.00 0.51 N ATOM 901 CA ASP A 61 -0.396 12.630 3.537 1.00 0.63 C ATOM 902 C ASP A 61 -1.180 11.730 4.497 1.00 0.62 C ATOM 903 O ASP A 61 -0.834 11.610 5.666 1.00 0.74 O ATOM 904 CB ASP A 61 -0.922 14.056 3.552 1.00 0.74 C ATOM 905 CG ASP A 61 -0.669 14.713 4.888 1.00 1.36 C ATOM 906 OD1 ASP A 61 0.471 15.110 5.168 1.00 1.65 O ATOM 907 OD2 ASP A 61 -1.640 14.875 5.682 1.00 2.09 O ATOM 0 H ASP A 61 -1.054 12.429 1.563 1.00 0.51 H new ATOM 0 HA ASP A 61 0.634 12.679 3.891 1.00 0.63 H new ATOM 0 HB2 ASP A 61 -0.441 14.633 2.762 1.00 0.74 H new ATOM 0 HB3 ASP A 61 -1.991 14.055 3.340 1.00 0.74 H new ATOM 912 N ASP A 62 -2.232 11.074 3.996 1.00 0.57 N ATOM 913 CA ASP A 62 -3.009 10.134 4.826 1.00 0.65 C ATOM 914 C ASP A 62 -2.314 8.834 4.960 1.00 0.53 C ATOM 915 O ASP A 62 -2.408 8.187 5.976 1.00 0.59 O ATOM 916 CB ASP A 62 -4.419 9.875 4.299 1.00 0.80 C ATOM 917 CG ASP A 62 -5.413 10.916 4.692 1.00 0.98 C ATOM 918 OD1 ASP A 62 -5.858 10.921 5.844 1.00 1.58 O ATOM 919 OD2 ASP A 62 -5.724 11.803 3.851 1.00 1.54 O ATOM 0 H ASP A 62 -2.565 11.170 3.037 1.00 0.57 H new ATOM 0 HA ASP A 62 -3.096 10.622 5.797 1.00 0.65 H new ATOM 0 HB2 ASP A 62 -4.384 9.813 3.211 1.00 0.80 H new ATOM 0 HB3 ASP A 62 -4.760 8.906 4.663 1.00 0.80 H new ATOM 924 N VAL A 63 -1.586 8.459 3.938 1.00 0.42 N ATOM 925 CA VAL A 63 -0.866 7.202 3.916 1.00 0.39 C ATOM 926 C VAL A 63 0.157 7.130 5.077 1.00 0.44 C ATOM 927 O VAL A 63 0.537 6.045 5.542 1.00 0.50 O ATOM 928 CB VAL A 63 -0.195 6.957 2.540 1.00 0.41 C ATOM 929 CG1 VAL A 63 1.129 7.677 2.380 1.00 0.69 C ATOM 930 CG2 VAL A 63 -0.080 5.500 2.240 1.00 0.59 C ATOM 0 H VAL A 63 -1.473 9.017 3.092 1.00 0.42 H new ATOM 0 HA VAL A 63 -1.588 6.399 4.065 1.00 0.39 H new ATOM 0 HB VAL A 63 -0.859 7.397 1.796 1.00 0.41 H new ATOM 0 HG11 VAL A 63 1.543 7.462 1.395 1.00 0.69 H new ATOM 0 HG12 VAL A 63 0.974 8.751 2.482 1.00 0.69 H new ATOM 0 HG13 VAL A 63 1.823 7.336 3.148 1.00 0.69 H new ATOM 0 HG21 VAL A 63 0.395 5.365 1.268 1.00 0.59 H new ATOM 0 HG22 VAL A 63 0.523 5.017 3.009 1.00 0.59 H new ATOM 0 HG23 VAL A 63 -1.074 5.052 2.224 1.00 0.59 H new ATOM 940 N LYS A 64 0.531 8.312 5.555 1.00 0.49 N ATOM 941 CA LYS A 64 1.457 8.487 6.643 1.00 0.63 C ATOM 942 C LYS A 64 0.942 7.863 7.949 1.00 0.64 C ATOM 943 O LYS A 64 1.730 7.348 8.735 1.00 0.85 O ATOM 944 CB LYS A 64 1.754 9.975 6.847 1.00 0.76 C ATOM 945 CG LYS A 64 2.375 10.661 5.635 1.00 0.76 C ATOM 946 CD LYS A 64 2.513 12.161 5.854 1.00 1.04 C ATOM 947 CE LYS A 64 3.087 12.845 4.625 1.00 1.55 C ATOM 948 NZ LYS A 64 3.048 14.319 4.737 1.00 2.44 N ATOM 0 H LYS A 64 0.182 9.193 5.178 1.00 0.49 H new ATOM 0 HA LYS A 64 2.377 7.966 6.376 1.00 0.63 H new ATOM 0 HB2 LYS A 64 0.827 10.487 7.105 1.00 0.76 H new ATOM 0 HB3 LYS A 64 2.427 10.086 7.698 1.00 0.76 H new ATOM 0 HG2 LYS A 64 3.356 10.230 5.434 1.00 0.76 H new ATOM 0 HG3 LYS A 64 1.759 10.476 4.755 1.00 0.76 H new ATOM 0 HD2 LYS A 64 1.538 12.588 6.089 1.00 1.04 H new ATOM 0 HD3 LYS A 64 3.158 12.348 6.712 1.00 1.04 H new ATOM 0 HE2 LYS A 64 4.117 12.521 4.479 1.00 1.55 H new ATOM 0 HE3 LYS A 64 2.527 12.534 3.743 1.00 1.55 H new ATOM 0 HZ1 LYS A 64 3.584 14.741 3.952 1.00 2.44 H new ATOM 0 HZ2 LYS A 64 2.061 14.644 4.697 1.00 2.44 H new ATOM 0 HZ3 LYS A 64 3.472 14.610 5.641 1.00 2.44 H new ATOM 962 N ASN A 65 -0.376 7.877 8.180 1.00 0.51 N ATOM 963 CA ASN A 65 -0.892 7.321 9.442 1.00 0.57 C ATOM 964 C ASN A 65 -1.163 5.835 9.288 1.00 0.50 C ATOM 965 O ASN A 65 -1.415 5.122 10.271 1.00 0.66 O ATOM 966 CB ASN A 65 -2.152 8.066 9.990 1.00 0.65 C ATOM 967 CG ASN A 65 -3.501 7.661 9.372 1.00 1.37 C ATOM 968 OD1 ASN A 65 -3.604 7.293 8.217 1.00 1.93 O ATOM 969 ND2 ASN A 65 -4.546 7.740 10.155 1.00 1.94 N ATOM 0 H ASN A 65 -1.080 8.249 7.543 1.00 0.51 H new ATOM 0 HA ASN A 65 -0.113 7.474 10.189 1.00 0.57 H new ATOM 0 HB2 ASN A 65 -2.205 7.903 11.066 1.00 0.65 H new ATOM 0 HB3 ASN A 65 -2.012 9.136 9.836 1.00 0.65 H new ATOM 0 HD21 ASN A 65 -5.469 7.491 9.800 1.00 1.94 H new ATOM 0 HD22 ASN A 65 -4.438 8.051 11.120 1.00 1.94 H new ATOM 976 N LEU A 66 -1.090 5.372 8.052 1.00 0.42 N ATOM 977 CA LEU A 66 -1.293 3.982 7.750 1.00 0.43 C ATOM 978 C LEU A 66 0.002 3.244 8.062 1.00 0.66 C ATOM 979 O LEU A 66 0.044 2.361 8.933 1.00 1.67 O ATOM 980 CB LEU A 66 -1.655 3.784 6.258 1.00 0.41 C ATOM 981 CG LEU A 66 -2.812 4.627 5.691 1.00 0.38 C ATOM 982 CD1 LEU A 66 -3.037 4.304 4.226 1.00 0.45 C ATOM 983 CD2 LEU A 66 -4.095 4.421 6.470 1.00 0.39 C ATOM 0 H LEU A 66 -0.889 5.953 7.239 1.00 0.42 H new ATOM 0 HA LEU A 66 -2.118 3.595 8.348 1.00 0.43 H new ATOM 0 HB2 LEU A 66 -0.764 3.992 5.665 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -1.899 2.732 6.107 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.527 5.675 5.788 1.00 0.38 H new ATOM 0 HD11 LEU A 66 -3.858 4.909 3.842 1.00 0.45 H new ATOM 0 HD12 LEU A 66 -2.130 4.523 3.662 1.00 0.45 H new ATOM 0 HD13 LEU A 66 -3.284 3.248 4.120 1.00 0.45 H new ATOM 0 HD21 LEU A 66 -4.886 5.034 6.037 1.00 0.39 H new ATOM 0 HD22 LEU A 66 -4.384 3.371 6.424 1.00 0.39 H new ATOM 0 HD23 LEU A 66 -3.940 4.710 7.510 1.00 0.39 H new ATOM 995 N LYS A 67 1.058 3.625 7.344 1.00 0.54 N ATOM 996 CA LYS A 67 2.426 3.085 7.489 1.00 0.48 C ATOM 997 C LYS A 67 2.584 1.619 7.024 1.00 0.44 C ATOM 998 O LYS A 67 3.630 1.244 6.493 1.00 0.58 O ATOM 999 CB LYS A 67 2.982 3.257 8.921 1.00 0.60 C ATOM 1000 CG LYS A 67 4.240 4.146 9.079 1.00 0.99 C ATOM 1001 CD LYS A 67 5.521 3.562 8.417 1.00 1.79 C ATOM 1002 CE LYS A 67 5.554 3.786 6.912 1.00 2.52 C ATOM 1003 NZ LYS A 67 6.705 3.166 6.240 1.00 3.18 N ATOM 0 H LYS A 67 0.992 4.340 6.620 1.00 0.54 H new ATOM 0 HA LYS A 67 3.024 3.693 6.809 1.00 0.48 H new ATOM 0 HB2 LYS A 67 2.191 3.673 9.545 1.00 0.60 H new ATOM 0 HB3 LYS A 67 3.213 2.268 9.317 1.00 0.60 H new ATOM 0 HG2 LYS A 67 4.036 5.126 8.647 1.00 0.99 H new ATOM 0 HG3 LYS A 67 4.431 4.300 10.141 1.00 0.99 H new ATOM 0 HD2 LYS A 67 6.401 4.021 8.869 1.00 1.79 H new ATOM 0 HD3 LYS A 67 5.577 2.493 8.623 1.00 1.79 H new ATOM 0 HE2 LYS A 67 4.636 3.391 6.476 1.00 2.52 H new ATOM 0 HE3 LYS A 67 5.565 4.858 6.715 1.00 2.52 H new ATOM 0 HZ1 LYS A 67 6.783 3.538 5.272 1.00 3.18 H new ATOM 0 HZ2 LYS A 67 7.574 3.386 6.767 1.00 3.18 H new ATOM 0 HZ3 LYS A 67 6.573 2.135 6.205 1.00 3.18 H new ATOM 1017 N THR A 68 1.587 0.809 7.228 1.00 0.36 N ATOM 1018 CA THR A 68 1.679 -0.571 6.860 1.00 0.32 C ATOM 1019 C THR A 68 0.729 -0.938 5.756 1.00 0.30 C ATOM 1020 O THR A 68 -0.180 -0.179 5.406 1.00 0.35 O ATOM 1021 CB THR A 68 1.396 -1.508 8.047 1.00 0.35 C ATOM 1022 OG1 THR A 68 0.138 -1.156 8.654 1.00 0.51 O ATOM 1023 CG2 THR A 68 2.502 -1.462 9.071 1.00 0.34 C ATOM 0 H THR A 68 0.699 1.082 7.649 1.00 0.36 H new ATOM 0 HA THR A 68 2.706 -0.700 6.518 1.00 0.32 H new ATOM 0 HB THR A 68 1.345 -2.528 7.667 1.00 0.35 H new ATOM 0 HG1 THR A 68 -0.040 -1.755 9.409 1.00 0.51 H new ATOM 0 HG21 THR A 68 2.265 -2.137 9.893 1.00 0.34 H new ATOM 0 HG22 THR A 68 3.440 -1.770 8.608 1.00 0.34 H new ATOM 0 HG23 THR A 68 2.602 -0.446 9.453 1.00 0.34 H new ATOM 1031 N VAL A 69 0.934 -2.131 5.254 1.00 0.27 N ATOM 1032 CA VAL A 69 0.051 -2.784 4.307 1.00 0.26 C ATOM 1033 C VAL A 69 -1.328 -2.992 4.953 1.00 0.27 C ATOM 1034 O VAL A 69 -2.368 -2.760 4.329 1.00 0.34 O ATOM 1035 CB VAL A 69 0.632 -4.172 3.932 1.00 0.28 C ATOM 1036 CG1 VAL A 69 1.773 -4.063 2.949 1.00 0.29 C ATOM 1037 CG2 VAL A 69 1.141 -4.842 5.171 1.00 0.35 C ATOM 0 H VAL A 69 1.747 -2.697 5.499 1.00 0.27 H new ATOM 0 HA VAL A 69 -0.041 -2.163 3.416 1.00 0.26 H new ATOM 0 HB VAL A 69 -0.168 -4.749 3.468 1.00 0.28 H new ATOM 0 HG11 VAL A 69 2.148 -5.059 2.715 1.00 0.29 H new ATOM 0 HG12 VAL A 69 1.421 -3.584 2.035 1.00 0.29 H new ATOM 0 HG13 VAL A 69 2.574 -3.467 3.386 1.00 0.29 H new ATOM 0 HG21 VAL A 69 1.551 -5.819 4.914 1.00 0.35 H new ATOM 0 HG22 VAL A 69 1.921 -4.228 5.622 1.00 0.35 H new ATOM 0 HG23 VAL A 69 0.322 -4.967 5.880 1.00 0.35 H new ATOM 1047 N GLY A 70 -1.304 -3.457 6.202 1.00 0.26 N ATOM 1048 CA GLY A 70 -2.499 -3.711 6.952 1.00 0.30 C ATOM 1049 C GLY A 70 -3.316 -2.464 7.159 1.00 0.28 C ATOM 1050 O GLY A 70 -4.513 -2.466 6.899 1.00 0.30 O ATOM 0 H GLY A 70 -0.444 -3.664 6.710 1.00 0.26 H new ATOM 0 HA2 GLY A 70 -3.101 -4.456 6.432 1.00 0.30 H new ATOM 0 HA3 GLY A 70 -2.235 -4.135 7.921 1.00 0.30 H new ATOM 1054 N ASP A 71 -2.683 -1.386 7.613 1.00 0.29 N ATOM 1055 CA ASP A 71 -3.400 -0.129 7.807 1.00 0.32 C ATOM 1056 C ASP A 71 -3.810 0.495 6.496 1.00 0.27 C ATOM 1057 O ASP A 71 -4.818 1.202 6.442 1.00 0.29 O ATOM 1058 CB ASP A 71 -2.640 0.870 8.664 1.00 0.46 C ATOM 1059 CG ASP A 71 -2.843 0.693 10.155 1.00 1.01 C ATOM 1060 OD1 ASP A 71 -2.266 -0.247 10.748 1.00 1.79 O ATOM 1061 OD2 ASP A 71 -3.609 1.455 10.766 1.00 1.19 O ATOM 0 H ASP A 71 -1.691 -1.356 7.850 1.00 0.29 H new ATOM 0 HA ASP A 71 -4.303 -0.393 8.357 1.00 0.32 H new ATOM 0 HB2 ASP A 71 -1.576 0.787 8.441 1.00 0.46 H new ATOM 0 HB3 ASP A 71 -2.946 1.878 8.384 1.00 0.46 H new ATOM 1066 N ALA A 72 -3.036 0.246 5.437 1.00 0.26 N ATOM 1067 CA ALA A 72 -3.411 0.704 4.107 1.00 0.26 C ATOM 1068 C ALA A 72 -4.733 0.062 3.733 1.00 0.25 C ATOM 1069 O ALA A 72 -5.714 0.759 3.520 1.00 0.26 O ATOM 1070 CB ALA A 72 -2.335 0.378 3.079 1.00 0.29 C ATOM 0 H ALA A 72 -2.155 -0.266 5.478 1.00 0.26 H new ATOM 0 HA ALA A 72 -3.516 1.789 4.116 1.00 0.26 H new ATOM 0 HB1 ALA A 72 -2.649 0.734 2.098 1.00 0.29 H new ATOM 0 HB2 ALA A 72 -1.402 0.867 3.361 1.00 0.29 H new ATOM 0 HB3 ALA A 72 -2.183 -0.701 3.041 1.00 0.29 H new ATOM 1076 N THR A 73 -4.752 -1.270 3.711 1.00 0.25 N ATOM 1077 CA THR A 73 -5.953 -2.060 3.512 1.00 0.26 C ATOM 1078 C THR A 73 -7.106 -1.589 4.420 1.00 0.28 C ATOM 1079 O THR A 73 -8.187 -1.408 3.959 1.00 0.31 O ATOM 1080 CB THR A 73 -5.612 -3.505 3.828 1.00 0.27 C ATOM 1081 OG1 THR A 73 -4.527 -3.885 2.985 1.00 0.28 O ATOM 1082 CG2 THR A 73 -6.803 -4.417 3.591 1.00 0.28 C ATOM 0 H THR A 73 -3.912 -1.836 3.834 1.00 0.25 H new ATOM 0 HA THR A 73 -6.289 -1.947 2.481 1.00 0.26 H new ATOM 0 HB THR A 73 -5.339 -3.598 4.879 1.00 0.27 H new ATOM 0 HG1 THR A 73 -3.679 -3.682 3.432 1.00 0.28 H new ATOM 0 HG21 THR A 73 -6.527 -5.445 3.826 1.00 0.28 H new ATOM 0 HG22 THR A 73 -7.630 -4.108 4.230 1.00 0.28 H new ATOM 0 HG23 THR A 73 -7.108 -4.353 2.546 1.00 0.28 H new ATOM 1090 N LYS A 74 -6.828 -1.413 5.685 1.00 0.29 N ATOM 1091 CA LYS A 74 -7.764 -0.913 6.701 1.00 0.34 C ATOM 1092 C LYS A 74 -8.429 0.407 6.251 1.00 0.31 C ATOM 1093 O LYS A 74 -9.640 0.580 6.374 1.00 0.37 O ATOM 1094 CB LYS A 74 -6.930 -0.713 7.958 1.00 0.41 C ATOM 1095 CG LYS A 74 -7.567 -0.092 9.174 1.00 0.58 C ATOM 1096 CD LYS A 74 -6.485 -0.009 10.229 1.00 1.60 C ATOM 1097 CE LYS A 74 -6.882 0.744 11.474 1.00 2.24 C ATOM 1098 NZ LYS A 74 -5.722 0.847 12.392 1.00 2.93 N ATOM 0 H LYS A 74 -5.906 -1.619 6.069 1.00 0.29 H new ATOM 0 HA LYS A 74 -8.582 -1.613 6.871 1.00 0.34 H new ATOM 0 HB2 LYS A 74 -6.543 -1.688 8.253 1.00 0.41 H new ATOM 0 HB3 LYS A 74 -6.072 -0.098 7.687 1.00 0.41 H new ATOM 0 HG2 LYS A 74 -7.961 0.898 8.943 1.00 0.58 H new ATOM 0 HG3 LYS A 74 -8.405 -0.695 9.524 1.00 0.58 H new ATOM 0 HD2 LYS A 74 -6.190 -1.020 10.510 1.00 1.60 H new ATOM 0 HD3 LYS A 74 -5.607 0.470 9.794 1.00 1.60 H new ATOM 0 HE2 LYS A 74 -7.237 1.740 11.210 1.00 2.24 H new ATOM 0 HE3 LYS A 74 -7.706 0.233 11.971 1.00 2.24 H new ATOM 0 HZ1 LYS A 74 -5.871 1.636 13.053 1.00 2.93 H new ATOM 0 HZ2 LYS A 74 -5.623 -0.039 12.927 1.00 2.93 H new ATOM 0 HZ3 LYS A 74 -4.857 1.016 11.840 1.00 2.93 H new ATOM 1112 N TYR A 75 -7.629 1.295 5.678 1.00 0.26 N ATOM 1113 CA TYR A 75 -8.102 2.583 5.177 1.00 0.25 C ATOM 1114 C TYR A 75 -8.952 2.348 3.957 1.00 0.23 C ATOM 1115 O TYR A 75 -10.039 2.871 3.835 1.00 0.29 O ATOM 1116 CB TYR A 75 -6.898 3.472 4.802 1.00 0.29 C ATOM 1117 CG TYR A 75 -7.225 4.850 4.217 1.00 0.30 C ATOM 1118 CD1 TYR A 75 -7.418 5.019 2.849 1.00 0.36 C ATOM 1119 CD2 TYR A 75 -7.363 5.976 5.038 1.00 0.41 C ATOM 1120 CE1 TYR A 75 -7.728 6.262 2.318 1.00 0.42 C ATOM 1121 CE2 TYR A 75 -7.670 7.212 4.510 1.00 0.47 C ATOM 1122 CZ TYR A 75 -7.785 7.365 3.151 1.00 0.45 C ATOM 1123 OH TYR A 75 -8.136 8.589 2.630 1.00 0.53 O ATOM 0 H TYR A 75 -6.629 1.144 5.546 1.00 0.26 H new ATOM 0 HA TYR A 75 -8.687 3.084 5.948 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.288 3.615 5.694 1.00 0.29 H new ATOM 0 HB3 TYR A 75 -6.285 2.931 4.081 1.00 0.29 H new ATOM 0 HD1 TYR A 75 -7.325 4.168 2.190 1.00 0.36 H new ATOM 0 HD2 TYR A 75 -7.226 5.874 6.104 1.00 0.41 H new ATOM 0 HE1 TYR A 75 -7.924 6.368 1.261 1.00 0.42 H new ATOM 0 HE2 TYR A 75 -7.820 8.058 5.164 1.00 0.47 H new ATOM 0 HH TYR A 75 -8.131 9.261 3.343 1.00 0.53 H new ATOM 1133 N ILE A 76 -8.436 1.536 3.073 1.00 0.22 N ATOM 1134 CA ILE A 76 -9.063 1.208 1.826 1.00 0.23 C ATOM 1135 C ILE A 76 -10.372 0.481 2.064 1.00 0.24 C ATOM 1136 O ILE A 76 -11.355 0.804 1.468 1.00 0.27 O ATOM 1137 CB ILE A 76 -8.119 0.347 0.959 1.00 0.22 C ATOM 1138 CG1 ILE A 76 -6.806 1.089 0.756 1.00 0.23 C ATOM 1139 CG2 ILE A 76 -8.757 0.042 -0.392 1.00 0.25 C ATOM 1140 CD1 ILE A 76 -5.703 0.250 0.168 1.00 0.25 C ATOM 0 H ILE A 76 -7.538 1.071 3.208 1.00 0.22 H new ATOM 0 HA ILE A 76 -9.275 2.135 1.293 1.00 0.23 H new ATOM 0 HB ILE A 76 -7.932 -0.597 1.471 1.00 0.22 H new ATOM 0 HG12 ILE A 76 -6.983 1.944 0.104 1.00 0.23 H new ATOM 0 HG13 ILE A 76 -6.473 1.484 1.716 1.00 0.23 H new ATOM 0 HG21 ILE A 76 -8.075 -0.566 -0.987 1.00 0.25 H new ATOM 0 HG22 ILE A 76 -9.689 -0.502 -0.240 1.00 0.25 H new ATOM 0 HG23 ILE A 76 -8.963 0.975 -0.916 1.00 0.25 H new ATOM 0 HD11 ILE A 76 -4.804 0.857 0.057 1.00 0.25 H new ATOM 0 HD12 ILE A 76 -5.494 -0.591 0.829 1.00 0.25 H new ATOM 0 HD13 ILE A 76 -6.011 -0.124 -0.808 1.00 0.25 H new ATOM 1152 N LEU A 77 -10.361 -0.486 2.952 1.00 0.24 N ATOM 1153 CA LEU A 77 -11.540 -1.280 3.308 1.00 0.29 C ATOM 1154 C LEU A 77 -12.669 -0.376 3.802 1.00 0.34 C ATOM 1155 O LEU A 77 -13.844 -0.654 3.583 1.00 0.43 O ATOM 1156 CB LEU A 77 -11.174 -2.296 4.397 1.00 0.30 C ATOM 1157 CG LEU A 77 -12.275 -3.263 4.824 1.00 0.40 C ATOM 1158 CD1 LEU A 77 -12.653 -4.193 3.687 1.00 0.88 C ATOM 1159 CD2 LEU A 77 -11.854 -4.039 6.055 1.00 1.15 C ATOM 0 H LEU A 77 -9.521 -0.757 3.464 1.00 0.24 H new ATOM 0 HA LEU A 77 -11.883 -1.810 2.419 1.00 0.29 H new ATOM 0 HB2 LEU A 77 -10.324 -2.881 4.046 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -10.842 -1.747 5.278 1.00 0.30 H new ATOM 0 HG LEU A 77 -13.161 -2.682 5.080 1.00 0.40 H new ATOM 0 HD11 LEU A 77 -13.439 -4.871 4.018 1.00 0.88 H new ATOM 0 HD12 LEU A 77 -13.012 -3.607 2.841 1.00 0.88 H new ATOM 0 HD13 LEU A 77 -11.780 -4.770 3.383 1.00 0.88 H new ATOM 0 HD21 LEU A 77 -12.652 -4.723 6.344 1.00 1.15 H new ATOM 0 HD22 LEU A 77 -10.950 -4.608 5.835 1.00 1.15 H new ATOM 0 HD23 LEU A 77 -11.657 -3.345 6.872 1.00 1.15 H new ATOM 1171 N ASP A 78 -12.296 0.701 4.435 1.00 0.32 N ATOM 1172 CA ASP A 78 -13.284 1.674 4.950 1.00 0.39 C ATOM 1173 C ASP A 78 -13.639 2.729 3.890 1.00 0.41 C ATOM 1174 O ASP A 78 -14.786 3.150 3.757 1.00 0.50 O ATOM 1175 CB ASP A 78 -12.756 2.356 6.229 1.00 0.45 C ATOM 1176 CG ASP A 78 -13.671 3.454 6.763 1.00 0.57 C ATOM 1177 OD1 ASP A 78 -14.774 3.151 7.267 1.00 0.67 O ATOM 1178 OD2 ASP A 78 -13.295 4.649 6.693 1.00 0.64 O ATOM 0 H ASP A 78 -11.323 0.948 4.618 1.00 0.32 H new ATOM 0 HA ASP A 78 -14.193 1.125 5.194 1.00 0.39 H new ATOM 0 HB2 ASP A 78 -12.620 1.601 7.003 1.00 0.45 H new ATOM 0 HB3 ASP A 78 -11.774 2.782 6.024 1.00 0.45 H new ATOM 1183 N HIS A 79 -12.651 3.104 3.117 1.00 0.37 N ATOM 1184 CA HIS A 79 -12.755 4.170 2.113 1.00 0.43 C ATOM 1185 C HIS A 79 -13.132 3.677 0.721 1.00 0.51 C ATOM 1186 O HIS A 79 -13.134 4.462 -0.229 1.00 0.91 O ATOM 1187 CB HIS A 79 -11.467 4.995 2.076 1.00 0.48 C ATOM 1188 CG HIS A 79 -11.390 6.046 3.137 1.00 0.83 C ATOM 1189 ND1 HIS A 79 -11.470 7.391 2.872 1.00 1.18 N ATOM 1190 CD2 HIS A 79 -11.220 5.944 4.472 1.00 1.15 C ATOM 1191 CE1 HIS A 79 -11.354 8.069 3.990 1.00 1.53 C ATOM 1192 NE2 HIS A 79 -11.201 7.217 4.977 1.00 1.52 N ATOM 0 H HIS A 79 -11.726 2.677 3.158 1.00 0.37 H new ATOM 0 HA HIS A 79 -13.583 4.805 2.429 1.00 0.43 H new ATOM 0 HB2 HIS A 79 -10.614 4.324 2.180 1.00 0.48 H new ATOM 0 HB3 HIS A 79 -11.380 5.471 1.099 1.00 0.48 H new ATOM 0 HD2 HIS A 79 -11.118 5.029 5.037 1.00 1.15 H new ATOM 0 HE1 HIS A 79 -11.380 9.145 4.082 1.00 1.53 H new ATOM 0 HE2 HIS A 79 -11.087 7.463 5.960 1.00 1.52 H new ATOM 1201 N GLN A 80 -13.421 2.387 0.626 1.00 0.41 N ATOM 1202 CA GLN A 80 -13.837 1.676 -0.607 1.00 0.55 C ATOM 1203 C GLN A 80 -14.671 2.509 -1.572 1.00 0.62 C ATOM 1204 O GLN A 80 -15.665 3.150 -1.187 1.00 0.89 O ATOM 1205 CB GLN A 80 -14.624 0.432 -0.233 1.00 0.87 C ATOM 1206 CG GLN A 80 -13.790 -0.690 0.309 1.00 0.64 C ATOM 1207 CD GLN A 80 -12.809 -1.218 -0.702 1.00 0.49 C ATOM 1208 OE1 GLN A 80 -11.660 -1.612 -0.233 1.00 0.57 O flip ATOM 1209 NE2 GLN A 80 -13.065 -1.224 -1.905 1.00 0.51 N flip ATOM 0 H GLN A 80 -13.374 1.766 1.434 1.00 0.41 H new ATOM 0 HA GLN A 80 -12.912 1.432 -1.130 1.00 0.55 H new ATOM 0 HB2 GLN A 80 -15.375 0.702 0.510 1.00 0.87 H new ATOM 0 HB3 GLN A 80 -15.160 0.078 -1.114 1.00 0.87 H new ATOM 0 HG2 GLN A 80 -13.249 -0.344 1.189 1.00 0.64 H new ATOM 0 HG3 GLN A 80 -14.443 -1.500 0.634 1.00 0.64 H new ATOM 0 HE21 GLN A 80 -13.977 -0.908 -2.234 1.00 0.51 H new ATOM 0 HE22 GLN A 80 -12.365 -1.545 -2.574 1.00 0.51 H new ATOM 1218 N ALA A 81 -14.266 2.481 -2.809 1.00 0.68 N ATOM 1219 CA ALA A 81 -14.929 3.185 -3.863 1.00 0.96 C ATOM 1220 C ALA A 81 -15.820 2.208 -4.582 1.00 1.47 C ATOM 1221 O ALA A 81 -17.047 2.338 -4.493 1.00 1.72 O ATOM 1222 CB ALA A 81 -13.916 3.804 -4.817 1.00 1.11 C ATOM 1223 OXT ALA A 81 -15.288 1.234 -5.151 1.00 2.36 O ATOM 0 H ALA A 81 -13.448 1.956 -3.117 1.00 0.68 H new ATOM 0 HA ALA A 81 -15.525 4.001 -3.455 1.00 0.96 H new ATOM 0 HB1 ALA A 81 -14.441 4.335 -5.611 1.00 1.11 H new ATOM 0 HB2 ALA A 81 -13.282 4.503 -4.271 1.00 1.11 H new ATOM 0 HB3 ALA A 81 -13.299 3.018 -5.252 1.00 1.11 H new