USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot -93:sc= 1.15 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.555 F(o=-2.2,f=-0.56) USER MOD Single : A 16 ASN : amide:sc= -2.84! C(o=-2.8!,f=-5.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.16) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0701 USER MOD Single : A 40 SER OG : rot -27:sc= 1 USER MOD Single : A 42 SER OG : rot -92:sc= -0.733 USER MOD Single : A 43 MET CE :methyl -164:sc= -3.49! (180deg=-3.75!) USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= 0.788 (180deg=0.00747!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0224 K(o=-0.022,f=-0.59) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.58! USER MOD Single : A 73 THR OG1 : rot 88:sc= 1.33 USER MOD Single : A 74 LYS NZ :NH3+ 169:sc=-0.00766 (180deg=-0.183) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 8.567 -9.644 1.529 1.00 0.51 N ATOM 24 CA THR A 3 8.353 -10.450 0.360 1.00 0.54 C ATOM 25 C THR A 3 7.039 -10.011 -0.268 1.00 0.42 C ATOM 26 O THR A 3 6.455 -9.018 0.203 1.00 0.37 O ATOM 27 CB THR A 3 8.309 -11.956 0.717 1.00 0.64 C ATOM 28 OG1 THR A 3 7.412 -12.157 1.821 1.00 0.63 O ATOM 29 CG2 THR A 3 9.684 -12.474 1.092 1.00 0.82 C ATOM 0 HA THR A 3 9.177 -10.314 -0.340 1.00 0.54 H new ATOM 0 HB THR A 3 7.962 -12.504 -0.159 1.00 0.64 H new ATOM 0 HG1 THR A 3 7.917 -12.134 2.661 1.00 0.63 H new ATOM 0 HG21 THR A 3 9.619 -13.534 1.337 1.00 0.82 H new ATOM 0 HG22 THR A 3 10.366 -12.337 0.253 1.00 0.82 H new ATOM 0 HG23 THR A 3 10.057 -11.924 1.956 1.00 0.82 H new ATOM 37 N GLN A 4 6.538 -10.745 -1.252 1.00 0.44 N ATOM 38 CA GLN A 4 5.297 -10.388 -1.929 1.00 0.42 C ATOM 39 C GLN A 4 4.140 -10.373 -0.941 1.00 0.38 C ATOM 40 O GLN A 4 3.505 -9.337 -0.755 1.00 0.38 O ATOM 41 CB GLN A 4 5.045 -11.338 -3.144 1.00 0.52 C ATOM 42 CG GLN A 4 3.814 -11.035 -4.047 1.00 0.66 C ATOM 43 CD GLN A 4 2.483 -11.571 -3.519 1.00 0.76 C ATOM 44 OE1 GLN A 4 1.771 -10.764 -2.786 1.00 1.24 O flip ATOM 45 NE2 GLN A 4 2.096 -12.707 -3.811 1.00 0.63 N flip ATOM 0 H GLN A 4 6.975 -11.598 -1.602 1.00 0.44 H new ATOM 0 HA GLN A 4 5.381 -9.379 -2.332 1.00 0.42 H new ATOM 0 HB2 GLN A 4 5.935 -11.324 -3.773 1.00 0.52 H new ATOM 0 HB3 GLN A 4 4.940 -12.353 -2.762 1.00 0.52 H new ATOM 0 HG2 GLN A 4 3.730 -9.956 -4.173 1.00 0.66 H new ATOM 0 HG3 GLN A 4 3.993 -11.458 -5.035 1.00 0.66 H new ATOM 0 HE21 GLN A 4 2.680 -13.312 -4.388 1.00 0.63 H new ATOM 0 HE22 GLN A 4 1.192 -13.040 -3.476 1.00 0.63 H new ATOM 54 N GLU A 5 3.915 -11.482 -0.253 1.00 0.40 N ATOM 55 CA GLU A 5 2.800 -11.576 0.686 1.00 0.46 C ATOM 56 C GLU A 5 3.007 -10.675 1.898 1.00 0.37 C ATOM 57 O GLU A 5 2.038 -10.197 2.488 1.00 0.37 O ATOM 58 CB GLU A 5 2.540 -13.021 1.130 1.00 0.63 C ATOM 59 CG GLU A 5 2.112 -13.954 0.005 1.00 1.35 C ATOM 60 CD GLU A 5 1.816 -15.352 0.495 1.00 1.79 C ATOM 61 OE1 GLU A 5 2.747 -16.173 0.611 1.00 2.43 O ATOM 62 OE2 GLU A 5 0.637 -15.668 0.780 1.00 2.08 O ATOM 0 H GLU A 5 4.484 -12.326 -0.324 1.00 0.40 H new ATOM 0 HA GLU A 5 1.916 -11.229 0.151 1.00 0.46 H new ATOM 0 HB2 GLU A 5 3.446 -13.416 1.589 1.00 0.63 H new ATOM 0 HB3 GLU A 5 1.767 -13.019 1.899 1.00 0.63 H new ATOM 0 HG2 GLU A 5 1.226 -13.548 -0.482 1.00 1.35 H new ATOM 0 HG3 GLU A 5 2.899 -13.995 -0.748 1.00 1.35 H new ATOM 69 N GLU A 6 4.267 -10.424 2.249 1.00 0.36 N ATOM 70 CA GLU A 6 4.581 -9.584 3.395 1.00 0.37 C ATOM 71 C GLU A 6 4.250 -8.125 3.159 1.00 0.29 C ATOM 72 O GLU A 6 3.601 -7.500 4.006 1.00 0.31 O ATOM 73 CB GLU A 6 6.007 -9.746 3.858 1.00 0.46 C ATOM 74 CG GLU A 6 6.285 -11.066 4.527 1.00 0.67 C ATOM 75 CD GLU A 6 7.708 -11.173 4.956 1.00 1.38 C ATOM 76 OE1 GLU A 6 8.044 -10.705 6.061 1.00 1.91 O ATOM 77 OE2 GLU A 6 8.514 -11.712 4.192 1.00 2.07 O ATOM 0 H GLU A 6 5.082 -10.790 1.756 1.00 0.36 H new ATOM 0 HA GLU A 6 3.935 -9.936 4.199 1.00 0.37 H new ATOM 0 HB2 GLU A 6 6.672 -9.637 3.001 1.00 0.46 H new ATOM 0 HB3 GLU A 6 6.247 -8.940 4.552 1.00 0.46 H new ATOM 0 HG2 GLU A 6 5.633 -11.180 5.393 1.00 0.67 H new ATOM 0 HG3 GLU A 6 6.049 -11.879 3.841 1.00 0.67 H new ATOM 84 N ILE A 7 4.696 -7.564 2.025 1.00 0.24 N ATOM 85 CA ILE A 7 4.336 -6.197 1.679 1.00 0.19 C ATOM 86 C ILE A 7 2.829 -6.059 1.661 1.00 0.17 C ATOM 87 O ILE A 7 2.266 -5.162 2.299 1.00 0.20 O ATOM 88 CB ILE A 7 4.883 -5.842 0.301 1.00 0.18 C ATOM 89 CG1 ILE A 7 6.391 -5.963 0.316 1.00 0.23 C ATOM 90 CG2 ILE A 7 4.458 -4.426 -0.094 1.00 0.19 C ATOM 91 CD1 ILE A 7 7.004 -5.824 -1.028 1.00 0.25 C ATOM 0 H ILE A 7 5.296 -8.033 1.347 1.00 0.24 H new ATOM 0 HA ILE A 7 4.763 -5.523 2.422 1.00 0.19 H new ATOM 0 HB ILE A 7 4.477 -6.532 -0.438 1.00 0.18 H new ATOM 0 HG12 ILE A 7 6.803 -5.200 0.976 1.00 0.23 H new ATOM 0 HG13 ILE A 7 6.667 -6.931 0.735 1.00 0.23 H new ATOM 0 HG21 ILE A 7 4.857 -4.188 -1.080 1.00 0.19 H new ATOM 0 HG22 ILE A 7 3.370 -4.366 -0.118 1.00 0.19 H new ATOM 0 HG23 ILE A 7 4.844 -3.714 0.635 1.00 0.19 H new ATOM 0 HD11 ILE A 7 8.087 -5.921 -0.946 1.00 0.25 H new ATOM 0 HD12 ILE A 7 6.619 -6.603 -1.686 1.00 0.25 H new ATOM 0 HD13 ILE A 7 6.757 -4.846 -1.441 1.00 0.25 H new ATOM 103 N VAL A 8 2.198 -6.973 0.960 1.00 0.15 N ATOM 104 CA VAL A 8 0.746 -6.987 0.811 1.00 0.15 C ATOM 105 C VAL A 8 0.045 -6.972 2.173 1.00 0.17 C ATOM 106 O VAL A 8 -0.737 -6.070 2.449 1.00 0.19 O ATOM 107 CB VAL A 8 0.279 -8.205 -0.021 1.00 0.16 C ATOM 108 CG1 VAL A 8 -1.231 -8.297 -0.052 1.00 0.20 C ATOM 109 CG2 VAL A 8 0.797 -8.082 -1.432 1.00 0.18 C ATOM 0 H VAL A 8 2.671 -7.734 0.472 1.00 0.15 H new ATOM 0 HA VAL A 8 0.468 -6.079 0.275 1.00 0.15 H new ATOM 0 HB VAL A 8 0.673 -9.108 0.446 1.00 0.16 H new ATOM 0 HG11 VAL A 8 -1.531 -9.162 -0.644 1.00 0.20 H new ATOM 0 HG12 VAL A 8 -1.610 -8.404 0.964 1.00 0.20 H new ATOM 0 HG13 VAL A 8 -1.642 -7.392 -0.499 1.00 0.20 H new ATOM 0 HG21 VAL A 8 0.467 -8.941 -2.017 1.00 0.18 H new ATOM 0 HG22 VAL A 8 0.412 -7.167 -1.882 1.00 0.18 H new ATOM 0 HG23 VAL A 8 1.886 -8.049 -1.418 1.00 0.18 H new ATOM 119 N ALA A 9 0.356 -7.943 3.017 1.00 0.19 N ATOM 120 CA ALA A 9 -0.271 -8.068 4.334 1.00 0.22 C ATOM 121 C ALA A 9 0.000 -6.850 5.223 1.00 0.18 C ATOM 122 O ALA A 9 -0.857 -6.454 6.007 1.00 0.20 O ATOM 123 CB ALA A 9 0.201 -9.335 5.014 1.00 0.28 C ATOM 0 H ALA A 9 1.046 -8.666 2.815 1.00 0.19 H new ATOM 0 HA ALA A 9 -1.349 -8.119 4.181 1.00 0.22 H new ATOM 0 HB1 ALA A 9 -0.270 -9.420 5.993 1.00 0.28 H new ATOM 0 HB2 ALA A 9 -0.070 -10.197 4.405 1.00 0.28 H new ATOM 0 HB3 ALA A 9 1.284 -9.302 5.134 1.00 0.28 H new ATOM 129 N GLY A 10 1.162 -6.236 5.049 1.00 0.17 N ATOM 130 CA GLY A 10 1.539 -5.094 5.827 1.00 0.17 C ATOM 131 C GLY A 10 0.715 -3.907 5.450 1.00 0.15 C ATOM 132 O GLY A 10 0.263 -3.174 6.295 1.00 0.18 O ATOM 0 H GLY A 10 1.859 -6.525 4.363 1.00 0.17 H new ATOM 0 HA2 GLY A 10 1.410 -5.311 6.887 1.00 0.17 H new ATOM 0 HA3 GLY A 10 2.595 -4.874 5.672 1.00 0.17 H new ATOM 136 N LEU A 11 0.508 -3.735 4.164 1.00 0.14 N ATOM 137 CA LEU A 11 -0.349 -2.674 3.668 1.00 0.14 C ATOM 138 C LEU A 11 -1.769 -2.976 4.089 1.00 0.13 C ATOM 139 O LEU A 11 -2.457 -2.127 4.640 1.00 0.15 O ATOM 140 CB LEU A 11 -0.289 -2.618 2.138 1.00 0.14 C ATOM 141 CG LEU A 11 1.087 -2.419 1.507 1.00 0.18 C ATOM 142 CD1 LEU A 11 0.990 -2.519 -0.005 1.00 0.17 C ATOM 143 CD2 LEU A 11 1.673 -1.084 1.913 1.00 0.26 C ATOM 0 H LEU A 11 0.922 -4.318 3.437 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.018 -1.718 4.073 1.00 0.14 H new ATOM 0 HB2 LEU A 11 -0.710 -3.545 1.748 1.00 0.14 H new ATOM 0 HB3 LEU A 11 -0.936 -1.808 1.803 1.00 0.14 H new ATOM 0 HG LEU A 11 1.750 -3.206 1.867 1.00 0.18 H new ATOM 0 HD11 LEU A 11 1.978 -2.375 -0.443 1.00 0.17 H new ATOM 0 HD12 LEU A 11 0.610 -3.503 -0.281 1.00 0.17 H new ATOM 0 HD13 LEU A 11 0.312 -1.751 -0.378 1.00 0.17 H new ATOM 0 HD21 LEU A 11 2.653 -0.962 1.453 1.00 0.26 H new ATOM 0 HD22 LEU A 11 1.014 -0.281 1.582 1.00 0.26 H new ATOM 0 HD23 LEU A 11 1.774 -1.046 2.998 1.00 0.26 H new ATOM 155 N ALA A 12 -2.162 -4.223 3.866 1.00 0.12 N ATOM 156 CA ALA A 12 -3.493 -4.704 4.136 1.00 0.13 C ATOM 157 C ALA A 12 -3.919 -4.475 5.552 1.00 0.13 C ATOM 158 O ALA A 12 -4.998 -3.969 5.770 1.00 0.15 O ATOM 159 CB ALA A 12 -3.627 -6.158 3.799 1.00 0.14 C ATOM 0 H ALA A 12 -1.543 -4.938 3.483 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.154 -4.123 3.494 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.643 -6.489 4.014 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.413 -6.307 2.741 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.922 -6.736 4.397 1.00 0.14 H new ATOM 165 N GLU A 13 -3.086 -4.837 6.521 1.00 0.13 N ATOM 166 CA GLU A 13 -3.444 -4.658 7.925 1.00 0.18 C ATOM 167 C GLU A 13 -3.714 -3.196 8.245 1.00 0.18 C ATOM 168 O GLU A 13 -4.596 -2.880 9.026 1.00 0.27 O ATOM 169 CB GLU A 13 -2.411 -5.277 8.885 1.00 0.27 C ATOM 170 CG GLU A 13 -1.010 -4.734 8.741 1.00 0.28 C ATOM 171 CD GLU A 13 -0.055 -5.315 9.741 1.00 0.55 C ATOM 172 OE1 GLU A 13 0.066 -4.781 10.858 1.00 0.66 O ATOM 173 OE2 GLU A 13 0.634 -6.279 9.427 1.00 0.76 O ATOM 0 H GLU A 13 -2.167 -5.252 6.364 1.00 0.13 H new ATOM 0 HA GLU A 13 -4.372 -5.207 8.086 1.00 0.18 H new ATOM 0 HB2 GLU A 13 -2.745 -5.115 9.910 1.00 0.27 H new ATOM 0 HB3 GLU A 13 -2.386 -6.355 8.724 1.00 0.27 H new ATOM 0 HG2 GLU A 13 -0.646 -4.942 7.735 1.00 0.28 H new ATOM 0 HG3 GLU A 13 -1.032 -3.650 8.854 1.00 0.28 H new ATOM 180 N ILE A 14 -3.008 -2.321 7.578 1.00 0.13 N ATOM 181 CA ILE A 14 -3.205 -0.896 7.773 1.00 0.13 C ATOM 182 C ILE A 14 -4.507 -0.434 7.052 1.00 0.13 C ATOM 183 O ILE A 14 -5.301 0.346 7.598 1.00 0.17 O ATOM 184 CB ILE A 14 -1.979 -0.122 7.280 1.00 0.15 C ATOM 185 CG1 ILE A 14 -0.732 -0.713 7.941 1.00 0.19 C ATOM 186 CG2 ILE A 14 -2.120 1.331 7.693 1.00 0.17 C ATOM 187 CD1 ILE A 14 0.560 -0.240 7.346 1.00 0.25 C ATOM 0 H ILE A 14 -2.291 -2.563 6.894 1.00 0.13 H new ATOM 0 HA ILE A 14 -3.322 -0.688 8.837 1.00 0.13 H new ATOM 0 HB ILE A 14 -1.896 -0.192 6.195 1.00 0.15 H new ATOM 0 HG12 ILE A 14 -0.744 -0.463 9.002 1.00 0.19 H new ATOM 0 HG13 ILE A 14 -0.776 -1.800 7.869 1.00 0.19 H new ATOM 0 HG21 ILE A 14 -1.252 1.893 7.348 1.00 0.17 H new ATOM 0 HG22 ILE A 14 -3.024 1.749 7.250 1.00 0.17 H new ATOM 0 HG23 ILE A 14 -2.185 1.396 8.779 1.00 0.17 H new ATOM 0 HD11 ILE A 14 1.394 -0.705 7.871 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.597 -0.514 6.292 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.630 0.843 7.442 1.00 0.25 H new ATOM 199 N VAL A 15 -4.712 -0.912 5.816 1.00 0.10 N ATOM 200 CA VAL A 15 -5.955 -0.715 5.067 1.00 0.11 C ATOM 201 C VAL A 15 -7.135 -1.180 5.920 1.00 0.12 C ATOM 202 O VAL A 15 -8.146 -0.516 5.985 1.00 0.17 O ATOM 203 CB VAL A 15 -5.933 -1.524 3.744 1.00 0.12 C ATOM 204 CG1 VAL A 15 -7.210 -1.330 2.939 1.00 0.20 C ATOM 205 CG2 VAL A 15 -4.752 -1.117 2.919 1.00 0.15 C ATOM 0 H VAL A 15 -4.012 -1.451 5.306 1.00 0.10 H new ATOM 0 HA VAL A 15 -6.055 0.344 4.828 1.00 0.11 H new ATOM 0 HB VAL A 15 -5.859 -2.580 4.004 1.00 0.12 H new ATOM 0 HG11 VAL A 15 -7.153 -1.914 2.020 1.00 0.20 H new ATOM 0 HG12 VAL A 15 -8.065 -1.662 3.528 1.00 0.20 H new ATOM 0 HG13 VAL A 15 -7.327 -0.275 2.692 1.00 0.20 H new ATOM 0 HG21 VAL A 15 -4.742 -1.689 1.991 1.00 0.15 H new ATOM 0 HG22 VAL A 15 -4.818 -0.054 2.689 1.00 0.15 H new ATOM 0 HG23 VAL A 15 -3.835 -1.312 3.475 1.00 0.15 H new ATOM 215 N ASN A 16 -6.976 -2.319 6.561 1.00 0.11 N ATOM 216 CA ASN A 16 -7.971 -2.874 7.501 1.00 0.15 C ATOM 217 C ASN A 16 -8.326 -1.876 8.593 1.00 0.19 C ATOM 218 O ASN A 16 -9.497 -1.708 8.925 1.00 0.27 O ATOM 219 CB ASN A 16 -7.464 -4.172 8.150 1.00 0.18 C ATOM 220 CG ASN A 16 -7.739 -5.427 7.347 1.00 0.32 C ATOM 221 OD1 ASN A 16 -8.745 -6.107 7.570 1.00 0.85 O ATOM 222 ND2 ASN A 16 -6.910 -5.718 6.371 1.00 0.15 N ATOM 0 H ASN A 16 -6.148 -2.905 6.454 1.00 0.11 H new ATOM 0 HA ASN A 16 -8.865 -3.091 6.916 1.00 0.15 H new ATOM 0 HB2 ASN A 16 -6.389 -4.087 8.310 1.00 0.18 H new ATOM 0 HB3 ASN A 16 -7.925 -4.276 9.132 1.00 0.18 H new ATOM 0 HD21 ASN A 16 -7.089 -6.525 5.773 1.00 0.15 H new ATOM 0 HD22 ASN A 16 -6.087 -5.137 6.211 1.00 0.15 H new ATOM 229 N GLU A 17 -7.315 -1.180 9.107 1.00 0.21 N ATOM 230 CA GLU A 17 -7.504 -0.216 10.181 1.00 0.29 C ATOM 231 C GLU A 17 -8.318 1.001 9.741 1.00 0.27 C ATOM 232 O GLU A 17 -9.087 1.548 10.531 1.00 0.39 O ATOM 233 CB GLU A 17 -6.168 0.283 10.747 1.00 0.40 C ATOM 234 CG GLU A 17 -5.261 -0.781 11.325 1.00 0.51 C ATOM 235 CD GLU A 17 -4.045 -0.181 11.988 1.00 1.42 C ATOM 236 OE1 GLU A 17 -3.092 0.212 11.300 1.00 2.35 O ATOM 237 OE2 GLU A 17 -4.038 -0.046 13.230 1.00 1.56 O ATOM 0 H GLU A 17 -6.349 -1.269 8.792 1.00 0.21 H new ATOM 0 HA GLU A 17 -8.054 -0.755 10.952 1.00 0.29 H new ATOM 0 HB2 GLU A 17 -5.629 0.801 9.954 1.00 0.40 H new ATOM 0 HB3 GLU A 17 -6.376 1.018 11.524 1.00 0.40 H new ATOM 0 HG2 GLU A 17 -5.815 -1.375 12.052 1.00 0.51 H new ATOM 0 HG3 GLU A 17 -4.945 -1.459 10.532 1.00 0.51 H new ATOM 244 N ILE A 18 -8.150 1.452 8.504 1.00 0.21 N ATOM 245 CA ILE A 18 -8.836 2.681 8.105 1.00 0.22 C ATOM 246 C ILE A 18 -9.932 2.414 7.061 1.00 0.23 C ATOM 247 O ILE A 18 -11.094 2.762 7.274 1.00 0.28 O ATOM 248 CB ILE A 18 -7.848 3.662 7.449 1.00 0.21 C ATOM 249 CG1 ILE A 18 -6.513 3.729 8.186 1.00 0.24 C ATOM 250 CG2 ILE A 18 -8.466 5.048 7.430 1.00 0.28 C ATOM 251 CD1 ILE A 18 -5.492 4.545 7.451 1.00 0.27 C ATOM 0 H ILE A 18 -7.573 1.012 7.787 1.00 0.21 H new ATOM 0 HA ILE A 18 -9.271 3.093 9.016 1.00 0.22 H new ATOM 0 HB ILE A 18 -7.651 3.302 6.439 1.00 0.21 H new ATOM 0 HG12 ILE A 18 -6.670 4.156 9.177 1.00 0.24 H new ATOM 0 HG13 ILE A 18 -6.130 2.719 8.331 1.00 0.24 H new ATOM 0 HG21 ILE A 18 -7.772 5.749 6.967 1.00 0.28 H new ATOM 0 HG22 ILE A 18 -9.394 5.025 6.859 1.00 0.28 H new ATOM 0 HG23 ILE A 18 -8.676 5.367 8.451 1.00 0.28 H new ATOM 0 HD11 ILE A 18 -4.561 4.560 8.018 1.00 0.27 H new ATOM 0 HD12 ILE A 18 -5.312 4.105 6.470 1.00 0.27 H new ATOM 0 HD13 ILE A 18 -5.859 5.564 7.329 1.00 0.27 H new ATOM 263 N ALA A 19 -9.561 1.787 5.952 1.00 0.21 N ATOM 264 CA ALA A 19 -10.498 1.513 4.863 1.00 0.26 C ATOM 265 C ALA A 19 -11.430 0.365 5.200 1.00 0.26 C ATOM 266 O ALA A 19 -12.640 0.460 5.000 1.00 0.44 O ATOM 267 CB ALA A 19 -9.745 1.213 3.579 1.00 0.28 C ATOM 0 H ALA A 19 -8.612 1.456 5.780 1.00 0.21 H new ATOM 0 HA ALA A 19 -11.106 2.407 4.722 1.00 0.26 H new ATOM 0 HB1 ALA A 19 -10.457 1.011 2.778 1.00 0.28 H new ATOM 0 HB2 ALA A 19 -9.129 2.071 3.309 1.00 0.28 H new ATOM 0 HB3 ALA A 19 -9.108 0.341 3.726 1.00 0.28 H new ATOM 273 N GLY A 20 -10.864 -0.703 5.713 1.00 0.18 N ATOM 274 CA GLY A 20 -11.652 -1.853 6.071 1.00 0.22 C ATOM 275 C GLY A 20 -11.601 -2.956 5.035 1.00 0.18 C ATOM 276 O GLY A 20 -12.517 -3.771 4.957 1.00 0.27 O ATOM 0 H GLY A 20 -9.864 -0.797 5.890 1.00 0.18 H new ATOM 0 HA2 GLY A 20 -11.300 -2.244 7.026 1.00 0.22 H new ATOM 0 HA3 GLY A 20 -12.688 -1.545 6.214 1.00 0.22 H new ATOM 280 N ILE A 21 -10.558 -2.974 4.215 1.00 0.14 N ATOM 281 CA ILE A 21 -10.391 -4.051 3.256 1.00 0.15 C ATOM 282 C ILE A 21 -9.625 -5.150 3.930 1.00 0.16 C ATOM 283 O ILE A 21 -8.485 -4.925 4.299 1.00 0.17 O ATOM 284 CB ILE A 21 -9.574 -3.622 2.024 1.00 0.17 C ATOM 285 CG1 ILE A 21 -10.233 -2.456 1.352 1.00 0.21 C ATOM 286 CG2 ILE A 21 -9.453 -4.787 1.038 1.00 0.22 C ATOM 287 CD1 ILE A 21 -11.645 -2.756 0.963 1.00 0.25 C ATOM 0 H ILE A 21 -9.826 -2.264 4.196 1.00 0.14 H new ATOM 0 HA ILE A 21 -11.383 -4.359 2.925 1.00 0.15 H new ATOM 0 HB ILE A 21 -8.576 -3.329 2.351 1.00 0.17 H new ATOM 0 HG12 ILE A 21 -10.217 -1.596 2.021 1.00 0.21 H new ATOM 0 HG13 ILE A 21 -9.664 -2.180 0.464 1.00 0.21 H new ATOM 0 HG21 ILE A 21 -8.873 -4.471 0.171 1.00 0.22 H new ATOM 0 HG22 ILE A 21 -8.952 -5.624 1.524 1.00 0.22 H new ATOM 0 HG23 ILE A 21 -10.447 -5.096 0.716 1.00 0.22 H new ATOM 0 HD11 ILE A 21 -12.083 -1.883 0.480 1.00 0.25 H new ATOM 0 HD12 ILE A 21 -11.661 -3.599 0.272 1.00 0.25 H new ATOM 0 HD13 ILE A 21 -12.222 -3.005 1.853 1.00 0.25 H new ATOM 299 N PRO A 22 -10.216 -6.340 4.094 1.00 0.21 N ATOM 300 CA PRO A 22 -9.571 -7.453 4.785 1.00 0.24 C ATOM 301 C PRO A 22 -8.278 -7.903 4.107 1.00 0.21 C ATOM 302 O PRO A 22 -8.086 -7.719 2.889 1.00 0.21 O ATOM 303 CB PRO A 22 -10.605 -8.577 4.740 1.00 0.33 C ATOM 304 CG PRO A 22 -11.897 -7.910 4.438 1.00 0.33 C ATOM 305 CD PRO A 22 -11.562 -6.698 3.620 1.00 0.25 C ATOM 0 HA PRO A 22 -9.280 -7.167 5.796 1.00 0.24 H new ATOM 0 HB2 PRO A 22 -10.354 -9.312 3.975 1.00 0.33 H new ATOM 0 HB3 PRO A 22 -10.650 -9.109 5.691 1.00 0.33 H new ATOM 0 HG2 PRO A 22 -12.561 -8.578 3.890 1.00 0.33 H new ATOM 0 HG3 PRO A 22 -12.414 -7.629 5.356 1.00 0.33 H new ATOM 0 HD2 PRO A 22 -11.569 -6.917 2.552 1.00 0.25 H new ATOM 0 HD3 PRO A 22 -12.276 -5.891 3.784 1.00 0.25 H new ATOM 313 N VAL A 23 -7.418 -8.546 4.887 1.00 0.24 N ATOM 314 CA VAL A 23 -6.104 -9.009 4.423 1.00 0.29 C ATOM 315 C VAL A 23 -6.219 -10.146 3.411 1.00 0.35 C ATOM 316 O VAL A 23 -5.234 -10.574 2.822 1.00 0.51 O ATOM 317 CB VAL A 23 -5.180 -9.467 5.589 1.00 0.37 C ATOM 318 CG1 VAL A 23 -4.884 -8.324 6.545 1.00 0.84 C ATOM 319 CG2 VAL A 23 -5.806 -10.644 6.337 1.00 0.90 C ATOM 0 H VAL A 23 -7.608 -8.765 5.865 1.00 0.24 H new ATOM 0 HA VAL A 23 -5.653 -8.142 3.941 1.00 0.29 H new ATOM 0 HB VAL A 23 -4.233 -9.791 5.156 1.00 0.37 H new ATOM 0 HG11 VAL A 23 -4.236 -8.679 7.347 1.00 0.84 H new ATOM 0 HG12 VAL A 23 -4.386 -7.518 6.006 1.00 0.84 H new ATOM 0 HG13 VAL A 23 -5.817 -7.954 6.969 1.00 0.84 H new ATOM 0 HG21 VAL A 23 -5.147 -10.951 7.149 1.00 0.90 H new ATOM 0 HG22 VAL A 23 -6.770 -10.343 6.747 1.00 0.90 H new ATOM 0 HG23 VAL A 23 -5.948 -11.478 5.650 1.00 0.90 H new ATOM 329 N GLU A 24 -7.423 -10.621 3.209 1.00 0.37 N ATOM 330 CA GLU A 24 -7.659 -11.672 2.259 1.00 0.54 C ATOM 331 C GLU A 24 -8.231 -11.108 0.980 1.00 0.40 C ATOM 332 O GLU A 24 -8.388 -11.819 -0.012 1.00 0.46 O ATOM 333 CB GLU A 24 -8.576 -12.743 2.831 1.00 0.87 C ATOM 334 CG GLU A 24 -8.051 -13.380 4.100 1.00 1.32 C ATOM 335 CD GLU A 24 -8.872 -14.559 4.529 1.00 2.07 C ATOM 336 OE1 GLU A 24 -9.956 -14.370 5.100 1.00 2.34 O ATOM 337 OE2 GLU A 24 -8.435 -15.718 4.294 1.00 2.99 O ATOM 0 H GLU A 24 -8.258 -10.292 3.695 1.00 0.37 H new ATOM 0 HA GLU A 24 -6.701 -12.142 2.036 1.00 0.54 H new ATOM 0 HB2 GLU A 24 -9.552 -12.303 3.033 1.00 0.87 H new ATOM 0 HB3 GLU A 24 -8.726 -13.519 2.081 1.00 0.87 H new ATOM 0 HG2 GLU A 24 -7.019 -13.696 3.945 1.00 1.32 H new ATOM 0 HG3 GLU A 24 -8.040 -12.638 4.898 1.00 1.32 H new ATOM 344 N ASP A 25 -8.551 -9.833 0.983 1.00 0.30 N ATOM 345 CA ASP A 25 -9.078 -9.245 -0.215 1.00 0.25 C ATOM 346 C ASP A 25 -8.007 -8.428 -0.898 1.00 0.20 C ATOM 347 O ASP A 25 -7.951 -8.367 -2.129 1.00 0.20 O ATOM 348 CB ASP A 25 -10.348 -8.445 0.031 1.00 0.31 C ATOM 349 CG ASP A 25 -11.065 -8.162 -1.270 1.00 0.42 C ATOM 350 OD1 ASP A 25 -11.192 -9.061 -2.112 1.00 0.71 O ATOM 351 OD2 ASP A 25 -11.530 -7.011 -1.459 1.00 0.53 O ATOM 0 H ASP A 25 -8.457 -9.203 1.780 1.00 0.30 H new ATOM 0 HA ASP A 25 -9.375 -10.053 -0.884 1.00 0.25 H new ATOM 0 HB2 ASP A 25 -11.007 -8.997 0.702 1.00 0.31 H new ATOM 0 HB3 ASP A 25 -10.101 -7.506 0.527 1.00 0.31 H new ATOM 356 N VAL A 26 -7.145 -7.804 -0.093 1.00 0.18 N ATOM 357 CA VAL A 26 -5.959 -7.124 -0.587 1.00 0.16 C ATOM 358 C VAL A 26 -5.027 -8.149 -1.259 1.00 0.16 C ATOM 359 O VAL A 26 -4.283 -8.876 -0.595 1.00 0.19 O ATOM 360 CB VAL A 26 -5.192 -6.433 0.579 1.00 0.15 C ATOM 361 CG1 VAL A 26 -3.924 -5.745 0.084 1.00 0.16 C ATOM 362 CG2 VAL A 26 -6.078 -5.434 1.296 1.00 0.18 C ATOM 0 H VAL A 26 -7.255 -7.759 0.920 1.00 0.18 H new ATOM 0 HA VAL A 26 -6.269 -6.365 -1.305 1.00 0.16 H new ATOM 0 HB VAL A 26 -4.904 -7.214 1.282 1.00 0.15 H new ATOM 0 HG11 VAL A 26 -3.414 -5.273 0.924 1.00 0.16 H new ATOM 0 HG12 VAL A 26 -3.264 -6.483 -0.373 1.00 0.16 H new ATOM 0 HG13 VAL A 26 -4.186 -4.986 -0.654 1.00 0.16 H new ATOM 0 HG21 VAL A 26 -5.518 -4.966 2.105 1.00 0.18 H new ATOM 0 HG22 VAL A 26 -6.407 -4.669 0.593 1.00 0.18 H new ATOM 0 HG23 VAL A 26 -6.948 -5.948 1.706 1.00 0.18 H new ATOM 372 N LYS A 27 -5.199 -8.293 -2.538 1.00 0.21 N ATOM 373 CA LYS A 27 -4.359 -9.123 -3.362 1.00 0.25 C ATOM 374 C LYS A 27 -3.654 -8.194 -4.318 1.00 0.44 C ATOM 375 O LYS A 27 -4.116 -7.089 -4.512 1.00 1.20 O ATOM 376 CB LYS A 27 -5.189 -10.199 -4.085 1.00 0.26 C ATOM 377 CG LYS A 27 -5.860 -11.197 -3.144 1.00 0.36 C ATOM 378 CD LYS A 27 -4.825 -11.941 -2.318 1.00 1.43 C ATOM 379 CE LYS A 27 -5.453 -12.838 -1.273 1.00 1.66 C ATOM 380 NZ LYS A 27 -4.417 -13.482 -0.448 1.00 2.03 N ATOM 0 H LYS A 27 -5.945 -7.827 -3.055 1.00 0.21 H new ATOM 0 HA LYS A 27 -3.628 -9.673 -2.769 1.00 0.25 H new ATOM 0 HB2 LYS A 27 -5.955 -9.710 -4.687 1.00 0.26 H new ATOM 0 HB3 LYS A 27 -4.541 -10.742 -4.773 1.00 0.26 H new ATOM 0 HG2 LYS A 27 -6.550 -10.673 -2.483 1.00 0.36 H new ATOM 0 HG3 LYS A 27 -6.450 -11.908 -3.722 1.00 0.36 H new ATOM 0 HD2 LYS A 27 -4.200 -12.541 -2.979 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -4.170 -11.221 -1.828 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -6.119 -12.254 -0.638 1.00 1.66 H new ATOM 0 HE3 LYS A 27 -6.063 -13.599 -1.759 1.00 1.66 H new ATOM 0 HZ1 LYS A 27 -4.869 -14.093 0.262 1.00 2.03 H new ATOM 0 HZ2 LYS A 27 -3.797 -14.056 -1.055 1.00 2.03 H new ATOM 0 HZ3 LYS A 27 -3.852 -12.752 0.032 1.00 2.03 H new ATOM 394 N LEU A 28 -2.591 -8.619 -4.938 1.00 0.34 N ATOM 395 CA LEU A 28 -1.729 -7.688 -5.672 1.00 0.34 C ATOM 396 C LEU A 28 -2.404 -7.029 -6.883 1.00 0.32 C ATOM 397 O LEU A 28 -2.103 -5.884 -7.223 1.00 0.46 O ATOM 398 CB LEU A 28 -0.384 -8.361 -6.042 1.00 0.56 C ATOM 399 CG LEU A 28 -0.295 -9.247 -7.302 1.00 0.58 C ATOM 400 CD1 LEU A 28 -0.142 -8.413 -8.579 1.00 1.20 C ATOM 401 CD2 LEU A 28 0.856 -10.217 -7.178 1.00 1.12 C ATOM 0 H LEU A 28 -2.287 -9.593 -4.961 1.00 0.34 H new ATOM 0 HA LEU A 28 -1.523 -6.862 -4.992 1.00 0.34 H new ATOM 0 HB2 LEU A 28 0.358 -7.570 -6.147 1.00 0.56 H new ATOM 0 HB3 LEU A 28 -0.081 -8.972 -5.192 1.00 0.56 H new ATOM 0 HG LEU A 28 -1.231 -9.801 -7.378 1.00 0.58 H new ATOM 0 HD11 LEU A 28 -0.083 -9.076 -9.442 1.00 1.20 H new ATOM 0 HD12 LEU A 28 -1.002 -7.752 -8.687 1.00 1.20 H new ATOM 0 HD13 LEU A 28 0.768 -7.816 -8.517 1.00 1.20 H new ATOM 0 HD21 LEU A 28 0.908 -10.836 -8.073 1.00 1.12 H new ATOM 0 HD22 LEU A 28 1.788 -9.663 -7.065 1.00 1.12 H new ATOM 0 HD23 LEU A 28 0.704 -10.853 -6.306 1.00 1.12 H new ATOM 413 N ASP A 29 -3.356 -7.690 -7.461 1.00 0.34 N ATOM 414 CA ASP A 29 -3.929 -7.247 -8.720 1.00 0.46 C ATOM 415 C ASP A 29 -5.165 -6.412 -8.459 1.00 0.34 C ATOM 416 O ASP A 29 -5.909 -6.023 -9.362 1.00 0.56 O ATOM 417 CB ASP A 29 -4.224 -8.485 -9.562 1.00 0.79 C ATOM 418 CG ASP A 29 -4.709 -8.204 -10.967 1.00 1.41 C ATOM 419 OD1 ASP A 29 -3.873 -7.874 -11.830 1.00 1.85 O ATOM 420 OD2 ASP A 29 -5.919 -8.370 -11.252 1.00 2.12 O ATOM 0 H ASP A 29 -3.765 -8.547 -7.088 1.00 0.34 H new ATOM 0 HA ASP A 29 -3.236 -6.610 -9.269 1.00 0.46 H new ATOM 0 HB2 ASP A 29 -3.319 -9.090 -9.621 1.00 0.79 H new ATOM 0 HB3 ASP A 29 -4.975 -9.085 -9.048 1.00 0.79 H new ATOM 425 N LYS A 30 -5.321 -6.064 -7.218 1.00 0.26 N ATOM 426 CA LYS A 30 -6.450 -5.363 -6.770 1.00 0.21 C ATOM 427 C LYS A 30 -6.077 -3.924 -6.606 1.00 0.22 C ATOM 428 O LYS A 30 -5.236 -3.574 -5.778 1.00 0.32 O ATOM 429 CB LYS A 30 -6.898 -5.949 -5.441 1.00 0.23 C ATOM 430 CG LYS A 30 -7.065 -7.453 -5.497 1.00 0.43 C ATOM 431 CD LYS A 30 -8.311 -7.869 -6.218 1.00 0.61 C ATOM 432 CE LYS A 30 -9.484 -7.808 -5.271 1.00 0.66 C ATOM 433 NZ LYS A 30 -10.758 -8.175 -5.908 1.00 1.38 N ATOM 0 H LYS A 30 -4.643 -6.272 -6.485 1.00 0.26 H new ATOM 0 HA LYS A 30 -7.268 -5.446 -7.486 1.00 0.21 H new ATOM 0 HB2 LYS A 30 -6.168 -5.696 -4.672 1.00 0.23 H new ATOM 0 HB3 LYS A 30 -7.843 -5.492 -5.146 1.00 0.23 H new ATOM 0 HG2 LYS A 30 -6.199 -7.893 -5.992 1.00 0.43 H new ATOM 0 HG3 LYS A 30 -7.087 -7.850 -4.482 1.00 0.43 H new ATOM 0 HD2 LYS A 30 -8.485 -7.215 -7.072 1.00 0.61 H new ATOM 0 HD3 LYS A 30 -8.198 -8.880 -6.609 1.00 0.61 H new ATOM 0 HE2 LYS A 30 -9.299 -8.476 -4.430 1.00 0.66 H new ATOM 0 HE3 LYS A 30 -9.564 -6.799 -4.866 1.00 0.66 H new ATOM 0 HZ1 LYS A 30 -11.504 -8.230 -5.186 1.00 1.38 H new ATOM 0 HZ2 LYS A 30 -11.013 -7.456 -6.615 1.00 1.38 H new ATOM 0 HZ3 LYS A 30 -10.659 -9.099 -6.375 1.00 1.38 H new ATOM 447 N SER A 31 -6.597 -3.125 -7.454 1.00 0.20 N ATOM 448 CA SER A 31 -6.455 -1.706 -7.341 1.00 0.21 C ATOM 449 C SER A 31 -7.235 -1.284 -6.108 1.00 0.19 C ATOM 450 O SER A 31 -8.452 -1.373 -6.109 1.00 0.21 O ATOM 451 CB SER A 31 -7.049 -1.024 -8.582 1.00 0.26 C ATOM 452 OG SER A 31 -6.591 -1.643 -9.784 1.00 1.23 O ATOM 0 H SER A 31 -7.142 -3.429 -8.261 1.00 0.20 H new ATOM 0 HA SER A 31 -5.405 -1.423 -7.262 1.00 0.21 H new ATOM 0 HB2 SER A 31 -8.137 -1.070 -8.539 1.00 0.26 H new ATOM 0 HB3 SER A 31 -6.774 0.031 -8.586 1.00 0.26 H new ATOM 0 HG SER A 31 -6.987 -1.189 -10.557 1.00 1.23 H new ATOM 458 N PHE A 32 -6.532 -0.947 -5.040 1.00 0.21 N ATOM 459 CA PHE A 32 -7.151 -0.504 -3.777 1.00 0.20 C ATOM 460 C PHE A 32 -8.393 0.406 -3.987 1.00 0.23 C ATOM 461 O PHE A 32 -9.494 0.082 -3.523 1.00 0.28 O ATOM 462 CB PHE A 32 -6.137 0.224 -2.893 1.00 0.21 C ATOM 463 CG PHE A 32 -5.157 -0.640 -2.135 1.00 0.18 C ATOM 464 CD1 PHE A 32 -5.541 -1.258 -0.954 1.00 0.22 C ATOM 465 CD2 PHE A 32 -3.854 -0.805 -2.572 1.00 0.17 C ATOM 466 CE1 PHE A 32 -4.650 -2.027 -0.228 1.00 0.22 C ATOM 467 CE2 PHE A 32 -2.960 -1.567 -1.852 1.00 0.18 C ATOM 468 CZ PHE A 32 -3.355 -2.180 -0.679 1.00 0.18 C ATOM 0 H PHE A 32 -5.513 -0.969 -5.012 1.00 0.21 H new ATOM 0 HA PHE A 32 -7.490 -1.414 -3.282 1.00 0.20 H new ATOM 0 HB2 PHE A 32 -5.570 0.912 -3.520 1.00 0.21 H new ATOM 0 HB3 PHE A 32 -6.686 0.829 -2.172 1.00 0.21 H new ATOM 0 HD1 PHE A 32 -6.553 -1.137 -0.596 1.00 0.22 H new ATOM 0 HD2 PHE A 32 -3.534 -0.331 -3.488 1.00 0.17 H new ATOM 0 HE1 PHE A 32 -4.966 -2.505 0.687 1.00 0.22 H new ATOM 0 HE2 PHE A 32 -1.947 -1.685 -2.206 1.00 0.18 H new ATOM 0 HZ PHE A 32 -2.652 -2.777 -0.117 1.00 0.18 H new ATOM 478 N THR A 33 -8.211 1.500 -4.695 1.00 0.25 N ATOM 479 CA THR A 33 -9.242 2.481 -4.979 1.00 0.37 C ATOM 480 C THR A 33 -10.078 2.065 -6.209 1.00 0.37 C ATOM 481 O THR A 33 -10.202 2.837 -7.173 1.00 0.59 O ATOM 482 CB THR A 33 -8.518 3.783 -5.311 1.00 0.56 C ATOM 483 OG1 THR A 33 -7.251 3.739 -4.669 1.00 1.39 O ATOM 484 CG2 THR A 33 -9.264 4.976 -4.782 1.00 0.88 C ATOM 0 H THR A 33 -7.309 1.741 -5.105 1.00 0.25 H new ATOM 0 HA THR A 33 -9.913 2.577 -4.126 1.00 0.37 H new ATOM 0 HB THR A 33 -8.434 3.879 -6.394 1.00 0.56 H new ATOM 0 HG1 THR A 33 -6.757 4.563 -4.864 1.00 1.39 H new ATOM 0 HG21 THR A 33 -8.721 5.886 -5.036 1.00 0.88 H new ATOM 0 HG22 THR A 33 -10.258 5.010 -5.227 1.00 0.88 H new ATOM 0 HG23 THR A 33 -9.354 4.898 -3.699 1.00 0.88 H new ATOM 492 N ASP A 34 -10.653 0.870 -6.162 1.00 0.27 N ATOM 493 CA ASP A 34 -11.463 0.316 -7.270 1.00 0.29 C ATOM 494 C ASP A 34 -11.912 -1.088 -6.929 1.00 0.30 C ATOM 495 O ASP A 34 -13.086 -1.346 -6.660 1.00 0.46 O ATOM 496 CB ASP A 34 -10.648 0.267 -8.592 1.00 0.34 C ATOM 497 CG ASP A 34 -11.397 -0.380 -9.748 1.00 0.44 C ATOM 498 OD1 ASP A 34 -12.246 0.294 -10.376 1.00 0.59 O ATOM 499 OD2 ASP A 34 -11.132 -1.555 -10.053 1.00 0.54 O ATOM 0 H ASP A 34 -10.578 0.247 -5.358 1.00 0.27 H new ATOM 0 HA ASP A 34 -12.326 0.968 -7.407 1.00 0.29 H new ATOM 0 HB2 ASP A 34 -10.369 1.282 -8.874 1.00 0.34 H new ATOM 0 HB3 ASP A 34 -9.722 -0.282 -8.418 1.00 0.34 H new ATOM 504 N ASP A 35 -10.937 -1.950 -6.838 1.00 0.22 N ATOM 505 CA ASP A 35 -11.115 -3.377 -6.661 1.00 0.25 C ATOM 506 C ASP A 35 -11.447 -3.701 -5.254 1.00 0.28 C ATOM 507 O ASP A 35 -12.197 -4.626 -4.964 1.00 0.47 O ATOM 508 CB ASP A 35 -9.824 -4.072 -7.026 1.00 0.29 C ATOM 509 CG ASP A 35 -10.050 -5.229 -7.959 1.00 0.88 C ATOM 510 OD1 ASP A 35 -10.779 -6.164 -7.604 1.00 1.28 O ATOM 511 OD2 ASP A 35 -9.507 -5.218 -9.082 1.00 1.31 O ATOM 0 H ASP A 35 -9.956 -1.674 -6.886 1.00 0.22 H new ATOM 0 HA ASP A 35 -11.934 -3.710 -7.298 1.00 0.25 H new ATOM 0 HB2 ASP A 35 -9.147 -3.357 -7.493 1.00 0.29 H new ATOM 0 HB3 ASP A 35 -9.335 -4.428 -6.119 1.00 0.29 H new ATOM 516 N LEU A 36 -10.882 -2.947 -4.377 1.00 0.19 N ATOM 517 CA LEU A 36 -11.083 -3.162 -2.994 1.00 0.18 C ATOM 518 C LEU A 36 -12.155 -2.233 -2.477 1.00 0.22 C ATOM 519 O LEU A 36 -13.347 -2.510 -2.640 1.00 0.41 O ATOM 520 CB LEU A 36 -9.751 -3.007 -2.248 1.00 0.16 C ATOM 521 CG LEU A 36 -8.644 -3.940 -2.739 1.00 0.17 C ATOM 522 CD1 LEU A 36 -7.387 -3.771 -1.939 1.00 0.21 C ATOM 523 CD2 LEU A 36 -9.106 -5.358 -2.673 1.00 0.21 C ATOM 0 H LEU A 36 -10.268 -2.164 -4.602 1.00 0.19 H new ATOM 0 HA LEU A 36 -11.434 -4.179 -2.819 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -9.411 -1.976 -2.345 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -9.919 -3.188 -1.186 1.00 0.16 H new ATOM 0 HG LEU A 36 -8.419 -3.679 -3.773 1.00 0.17 H new ATOM 0 HD11 LEU A 36 -6.622 -4.450 -2.316 1.00 0.21 H new ATOM 0 HD12 LEU A 36 -7.035 -2.743 -2.027 1.00 0.21 H new ATOM 0 HD13 LEU A 36 -7.589 -3.997 -0.892 1.00 0.21 H new ATOM 0 HD21 LEU A 36 -8.312 -6.016 -3.025 1.00 0.21 H new ATOM 0 HD22 LEU A 36 -9.358 -5.611 -1.643 1.00 0.21 H new ATOM 0 HD23 LEU A 36 -9.987 -5.483 -3.303 1.00 0.21 H new ATOM 535 N ASP A 37 -11.718 -1.116 -1.973 1.00 0.21 N ATOM 536 CA ASP A 37 -12.556 -0.035 -1.382 1.00 0.31 C ATOM 537 C ASP A 37 -11.722 0.767 -0.424 1.00 0.32 C ATOM 538 O ASP A 37 -11.798 0.609 0.795 1.00 0.65 O ATOM 539 CB ASP A 37 -13.844 -0.489 -0.625 1.00 0.49 C ATOM 540 CG ASP A 37 -14.657 0.703 -0.139 1.00 0.82 C ATOM 541 OD1 ASP A 37 -15.226 1.437 -0.975 1.00 1.24 O ATOM 542 OD2 ASP A 37 -14.783 0.903 1.084 1.00 1.05 O ATOM 0 H ASP A 37 -10.723 -0.893 -1.947 1.00 0.21 H new ATOM 0 HA ASP A 37 -12.903 0.537 -2.243 1.00 0.31 H new ATOM 0 HB2 ASP A 37 -14.457 -1.104 -1.284 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -13.567 -1.112 0.225 1.00 0.49 H new ATOM 547 N VAL A 38 -10.831 1.501 -0.949 1.00 0.30 N ATOM 548 CA VAL A 38 -10.104 2.405 -0.143 1.00 0.32 C ATOM 549 C VAL A 38 -10.594 3.793 -0.520 1.00 0.38 C ATOM 550 O VAL A 38 -10.755 4.098 -1.695 1.00 0.52 O ATOM 551 CB VAL A 38 -8.560 2.239 -0.344 1.00 0.37 C ATOM 552 CG1 VAL A 38 -8.027 2.902 -1.596 1.00 0.65 C ATOM 553 CG2 VAL A 38 -7.780 2.658 0.875 1.00 0.79 C ATOM 0 H VAL A 38 -10.581 1.499 -1.938 1.00 0.30 H new ATOM 0 HA VAL A 38 -10.271 2.217 0.918 1.00 0.32 H new ATOM 0 HB VAL A 38 -8.409 1.169 -0.488 1.00 0.37 H new ATOM 0 HG11 VAL A 38 -6.951 2.742 -1.663 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -8.513 2.471 -2.471 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -8.233 3.972 -1.557 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -6.714 2.525 0.688 1.00 0.79 H new ATOM 0 HG22 VAL A 38 -7.982 3.707 1.094 1.00 0.79 H new ATOM 0 HG23 VAL A 38 -8.078 2.046 1.726 1.00 0.79 H new ATOM 563 N ASP A 39 -10.877 4.621 0.450 1.00 0.47 N ATOM 564 CA ASP A 39 -11.409 5.961 0.170 1.00 0.61 C ATOM 565 C ASP A 39 -10.249 6.934 -0.032 1.00 0.60 C ATOM 566 O ASP A 39 -10.375 8.135 0.145 1.00 1.08 O ATOM 567 CB ASP A 39 -12.339 6.403 1.311 1.00 0.82 C ATOM 568 CG ASP A 39 -13.138 7.656 1.004 1.00 1.49 C ATOM 569 OD1 ASP A 39 -14.056 7.595 0.161 1.00 2.28 O ATOM 570 OD2 ASP A 39 -12.916 8.699 1.651 1.00 1.92 O ATOM 0 H ASP A 39 -10.755 4.409 1.440 1.00 0.47 H new ATOM 0 HA ASP A 39 -12.000 5.947 -0.746 1.00 0.61 H new ATOM 0 HB2 ASP A 39 -13.029 5.591 1.539 1.00 0.82 H new ATOM 0 HB3 ASP A 39 -11.742 6.575 2.207 1.00 0.82 H new ATOM 575 N SER A 40 -9.118 6.346 -0.426 1.00 0.38 N ATOM 576 CA SER A 40 -7.838 6.978 -0.747 1.00 0.37 C ATOM 577 C SER A 40 -7.168 7.734 0.426 1.00 0.32 C ATOM 578 O SER A 40 -5.962 7.696 0.559 1.00 0.37 O ATOM 579 CB SER A 40 -7.930 7.836 -2.009 1.00 0.56 C ATOM 580 OG SER A 40 -8.650 9.079 -1.763 1.00 0.75 O ATOM 0 H SER A 40 -9.070 5.333 -0.538 1.00 0.38 H new ATOM 0 HA SER A 40 -7.163 6.147 -0.951 1.00 0.37 H new ATOM 0 HB2 SER A 40 -6.927 8.062 -2.370 1.00 0.56 H new ATOM 0 HB3 SER A 40 -8.433 7.274 -2.796 1.00 0.56 H new ATOM 0 HG SER A 40 -9.283 8.950 -1.026 1.00 0.75 H new ATOM 585 N LEU A 41 -7.953 8.332 1.296 1.00 0.31 N ATOM 586 CA LEU A 41 -7.456 9.142 2.398 1.00 0.32 C ATOM 587 C LEU A 41 -6.823 8.256 3.442 1.00 0.26 C ATOM 588 O LEU A 41 -5.960 8.679 4.209 1.00 0.36 O ATOM 589 CB LEU A 41 -8.596 9.953 3.015 1.00 0.39 C ATOM 590 CG LEU A 41 -9.343 10.904 2.071 1.00 0.49 C ATOM 591 CD1 LEU A 41 -10.473 11.604 2.810 1.00 0.86 C ATOM 592 CD2 LEU A 41 -8.392 11.928 1.467 1.00 0.77 C ATOM 0 H LEU A 41 -8.971 8.271 1.261 1.00 0.31 H new ATOM 0 HA LEU A 41 -6.704 9.833 2.017 1.00 0.32 H new ATOM 0 HB2 LEU A 41 -9.319 9.257 3.442 1.00 0.39 H new ATOM 0 HB3 LEU A 41 -8.191 10.539 3.840 1.00 0.39 H new ATOM 0 HG LEU A 41 -9.768 10.313 1.259 1.00 0.49 H new ATOM 0 HD11 LEU A 41 -10.994 12.275 2.127 1.00 0.86 H new ATOM 0 HD12 LEU A 41 -11.173 10.861 3.192 1.00 0.86 H new ATOM 0 HD13 LEU A 41 -10.063 12.178 3.641 1.00 0.86 H new ATOM 0 HD21 LEU A 41 -8.946 12.590 0.802 1.00 0.77 H new ATOM 0 HD22 LEU A 41 -7.934 12.514 2.264 1.00 0.77 H new ATOM 0 HD23 LEU A 41 -7.614 11.414 0.902 1.00 0.77 H new ATOM 604 N SER A 42 -7.227 7.001 3.429 1.00 0.16 N ATOM 605 CA SER A 42 -6.705 6.027 4.286 1.00 0.19 C ATOM 606 C SER A 42 -5.305 5.704 3.858 1.00 0.15 C ATOM 607 O SER A 42 -4.447 5.468 4.675 1.00 0.15 O ATOM 608 CB SER A 42 -7.605 4.803 4.186 1.00 0.30 C ATOM 609 OG SER A 42 -8.367 4.867 2.973 1.00 0.71 O ATOM 0 H SER A 42 -7.946 6.650 2.796 1.00 0.16 H new ATOM 0 HA SER A 42 -6.672 6.373 5.319 1.00 0.19 H new ATOM 0 HB2 SER A 42 -7.004 3.894 4.203 1.00 0.30 H new ATOM 0 HB3 SER A 42 -8.273 4.759 5.046 1.00 0.30 H new ATOM 0 HG SER A 42 -9.225 5.308 3.148 1.00 0.71 H new ATOM 615 N MET A 43 -5.065 5.816 2.564 1.00 0.18 N ATOM 616 CA MET A 43 -3.817 5.413 1.975 1.00 0.21 C ATOM 617 C MET A 43 -2.668 6.261 2.481 1.00 0.18 C ATOM 618 O MET A 43 -1.551 5.788 2.562 1.00 0.21 O ATOM 619 CB MET A 43 -3.886 5.467 0.466 1.00 0.28 C ATOM 620 CG MET A 43 -2.781 4.698 -0.190 1.00 0.39 C ATOM 621 SD MET A 43 -2.897 2.946 0.187 1.00 0.42 S ATOM 622 CE MET A 43 -4.460 2.581 -0.579 1.00 0.34 C ATOM 0 H MET A 43 -5.738 6.192 1.896 1.00 0.18 H new ATOM 0 HA MET A 43 -3.634 4.381 2.275 1.00 0.21 H new ATOM 0 HB2 MET A 43 -4.846 5.070 0.136 1.00 0.28 H new ATOM 0 HB3 MET A 43 -3.843 6.507 0.141 1.00 0.28 H new ATOM 0 HG2 MET A 43 -2.824 4.844 -1.269 1.00 0.39 H new ATOM 0 HG3 MET A 43 -1.818 5.082 0.146 1.00 0.39 H new ATOM 0 HE1 MET A 43 -4.831 1.624 -0.211 1.00 0.34 H new ATOM 0 HE2 MET A 43 -5.176 3.366 -0.336 1.00 0.34 H new ATOM 0 HE3 MET A 43 -4.332 2.529 -1.660 1.00 0.34 H new ATOM 632 N VAL A 44 -2.955 7.499 2.847 1.00 0.19 N ATOM 633 CA VAL A 44 -1.941 8.367 3.416 1.00 0.22 C ATOM 634 C VAL A 44 -1.395 7.705 4.676 1.00 0.20 C ATOM 635 O VAL A 44 -0.204 7.385 4.771 1.00 0.35 O ATOM 636 CB VAL A 44 -2.514 9.764 3.794 1.00 0.34 C ATOM 637 CG1 VAL A 44 -1.433 10.648 4.401 1.00 0.45 C ATOM 638 CG2 VAL A 44 -3.114 10.446 2.593 1.00 0.49 C ATOM 0 H VAL A 44 -3.879 7.923 2.760 1.00 0.19 H new ATOM 0 HA VAL A 44 -1.160 8.516 2.670 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.298 9.607 4.535 1.00 0.34 H new ATOM 0 HG11 VAL A 44 -1.858 11.619 4.657 1.00 0.45 H new ATOM 0 HG12 VAL A 44 -1.040 10.176 5.301 1.00 0.45 H new ATOM 0 HG13 VAL A 44 -0.627 10.784 3.680 1.00 0.45 H new ATOM 0 HG21 VAL A 44 -3.507 11.420 2.886 1.00 0.49 H new ATOM 0 HG22 VAL A 44 -2.348 10.579 1.829 1.00 0.49 H new ATOM 0 HG23 VAL A 44 -3.923 9.834 2.193 1.00 0.49 H new ATOM 648 N GLU A 45 -2.298 7.434 5.603 1.00 0.13 N ATOM 649 CA GLU A 45 -1.952 6.854 6.867 1.00 0.14 C ATOM 650 C GLU A 45 -1.538 5.390 6.690 1.00 0.16 C ATOM 651 O GLU A 45 -0.821 4.839 7.524 1.00 0.25 O ATOM 652 CB GLU A 45 -3.114 7.004 7.840 1.00 0.20 C ATOM 653 CG GLU A 45 -3.501 8.456 8.088 1.00 0.31 C ATOM 654 CD GLU A 45 -4.667 8.605 9.026 1.00 1.00 C ATOM 655 OE1 GLU A 45 -4.513 8.333 10.248 1.00 1.07 O ATOM 656 OE2 GLU A 45 -5.757 9.018 8.578 1.00 1.85 O ATOM 0 H GLU A 45 -3.295 7.615 5.488 1.00 0.13 H new ATOM 0 HA GLU A 45 -1.095 7.382 7.286 1.00 0.14 H new ATOM 0 HB2 GLU A 45 -3.978 6.465 7.451 1.00 0.20 H new ATOM 0 HB3 GLU A 45 -2.848 6.538 8.789 1.00 0.20 H new ATOM 0 HG2 GLU A 45 -2.643 8.989 8.497 1.00 0.31 H new ATOM 0 HG3 GLU A 45 -3.746 8.928 7.136 1.00 0.31 H new ATOM 663 N VAL A 46 -1.975 4.776 5.593 1.00 0.15 N ATOM 664 CA VAL A 46 -1.572 3.426 5.266 1.00 0.20 C ATOM 665 C VAL A 46 -0.087 3.384 4.896 1.00 0.24 C ATOM 666 O VAL A 46 0.702 2.672 5.517 1.00 0.30 O ATOM 667 CB VAL A 46 -2.433 2.779 4.110 1.00 0.21 C ATOM 668 CG1 VAL A 46 -1.818 1.464 3.630 1.00 0.22 C ATOM 669 CG2 VAL A 46 -3.844 2.489 4.590 1.00 0.22 C ATOM 0 H VAL A 46 -2.611 5.201 4.918 1.00 0.15 H new ATOM 0 HA VAL A 46 -1.748 2.831 6.162 1.00 0.20 H new ATOM 0 HB VAL A 46 -2.453 3.496 3.289 1.00 0.21 H new ATOM 0 HG11 VAL A 46 -2.433 1.043 2.835 1.00 0.22 H new ATOM 0 HG12 VAL A 46 -0.813 1.649 3.252 1.00 0.22 H new ATOM 0 HG13 VAL A 46 -1.769 0.761 4.461 1.00 0.22 H new ATOM 0 HG21 VAL A 46 -4.420 2.044 3.779 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -3.807 1.797 5.431 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -4.319 3.418 4.905 1.00 0.22 H new ATOM 679 N VAL A 47 0.309 4.187 3.928 1.00 0.30 N ATOM 680 CA VAL A 47 1.638 4.075 3.401 1.00 0.51 C ATOM 681 C VAL A 47 2.637 4.756 4.289 1.00 0.37 C ATOM 682 O VAL A 47 3.761 4.319 4.368 1.00 0.31 O ATOM 683 CB VAL A 47 1.754 4.573 1.955 1.00 0.91 C ATOM 684 CG1 VAL A 47 3.058 4.113 1.332 1.00 1.49 C ATOM 685 CG2 VAL A 47 0.582 4.096 1.136 1.00 0.96 C ATOM 0 H VAL A 47 -0.268 4.912 3.501 1.00 0.30 H new ATOM 0 HA VAL A 47 1.868 3.010 3.380 1.00 0.51 H new ATOM 0 HB VAL A 47 1.746 5.663 1.968 1.00 0.91 H new ATOM 0 HG11 VAL A 47 3.120 4.477 0.307 1.00 1.49 H new ATOM 0 HG12 VAL A 47 3.895 4.507 1.908 1.00 1.49 H new ATOM 0 HG13 VAL A 47 3.097 3.024 1.333 1.00 1.49 H new ATOM 0 HG21 VAL A 47 0.681 4.459 0.113 1.00 0.96 H new ATOM 0 HG22 VAL A 47 0.559 3.006 1.134 1.00 0.96 H new ATOM 0 HG23 VAL A 47 -0.343 4.477 1.568 1.00 0.96 H new ATOM 695 N VAL A 48 2.206 5.763 5.034 1.00 0.39 N ATOM 696 CA VAL A 48 3.110 6.418 5.976 1.00 0.39 C ATOM 697 C VAL A 48 3.525 5.406 7.052 1.00 0.30 C ATOM 698 O VAL A 48 4.637 5.431 7.577 1.00 0.37 O ATOM 699 CB VAL A 48 2.475 7.675 6.629 1.00 0.48 C ATOM 700 CG1 VAL A 48 1.491 7.307 7.694 1.00 0.84 C ATOM 701 CG2 VAL A 48 3.528 8.625 7.147 1.00 0.76 C ATOM 0 H VAL A 48 1.259 6.140 5.009 1.00 0.39 H new ATOM 0 HA VAL A 48 3.985 6.763 5.425 1.00 0.39 H new ATOM 0 HB VAL A 48 1.923 8.200 5.849 1.00 0.48 H new ATOM 0 HG11 VAL A 48 1.068 8.213 8.127 1.00 0.84 H new ATOM 0 HG12 VAL A 48 0.692 6.706 7.259 1.00 0.84 H new ATOM 0 HG13 VAL A 48 1.995 6.734 8.472 1.00 0.84 H new ATOM 0 HG21 VAL A 48 3.046 9.493 7.597 1.00 0.76 H new ATOM 0 HG22 VAL A 48 4.137 8.119 7.896 1.00 0.76 H new ATOM 0 HG23 VAL A 48 4.162 8.950 6.322 1.00 0.76 H new ATOM 711 N ALA A 49 2.627 4.482 7.306 1.00 0.20 N ATOM 712 CA ALA A 49 2.861 3.414 8.245 1.00 0.19 C ATOM 713 C ALA A 49 3.705 2.347 7.574 1.00 0.18 C ATOM 714 O ALA A 49 4.637 1.806 8.156 1.00 0.25 O ATOM 715 CB ALA A 49 1.545 2.847 8.705 1.00 0.22 C ATOM 0 H ALA A 49 1.709 4.452 6.863 1.00 0.20 H new ATOM 0 HA ALA A 49 3.393 3.790 9.119 1.00 0.19 H new ATOM 0 HB1 ALA A 49 1.725 2.040 9.415 1.00 0.22 H new ATOM 0 HB2 ALA A 49 0.960 3.630 9.187 1.00 0.22 H new ATOM 0 HB3 ALA A 49 0.996 2.460 7.847 1.00 0.22 H new ATOM 721 N ALA A 50 3.400 2.092 6.320 1.00 0.15 N ATOM 722 CA ALA A 50 4.139 1.142 5.509 1.00 0.18 C ATOM 723 C ALA A 50 5.605 1.558 5.376 1.00 0.18 C ATOM 724 O ALA A 50 6.493 0.718 5.300 1.00 0.20 O ATOM 725 CB ALA A 50 3.501 1.004 4.142 1.00 0.21 C ATOM 0 H ALA A 50 2.627 2.540 5.829 1.00 0.15 H new ATOM 0 HA ALA A 50 4.107 0.174 6.008 1.00 0.18 H new ATOM 0 HB1 ALA A 50 4.068 0.288 3.547 1.00 0.21 H new ATOM 0 HB2 ALA A 50 2.475 0.652 4.253 1.00 0.21 H new ATOM 0 HB3 ALA A 50 3.501 1.972 3.641 1.00 0.21 H new ATOM 731 N GLU A 51 5.859 2.849 5.390 1.00 0.20 N ATOM 732 CA GLU A 51 7.202 3.360 5.299 1.00 0.23 C ATOM 733 C GLU A 51 7.965 3.004 6.544 1.00 0.24 C ATOM 734 O GLU A 51 9.137 2.686 6.479 1.00 0.29 O ATOM 735 CB GLU A 51 7.243 4.868 5.138 1.00 0.23 C ATOM 736 CG GLU A 51 6.492 5.442 3.956 1.00 0.29 C ATOM 737 CD GLU A 51 6.535 6.947 3.974 1.00 0.36 C ATOM 738 OE1 GLU A 51 5.874 7.564 4.810 1.00 0.59 O ATOM 739 OE2 GLU A 51 7.304 7.531 3.215 1.00 0.73 O ATOM 0 H GLU A 51 5.140 3.569 5.465 1.00 0.20 H new ATOM 0 HA GLU A 51 7.650 2.907 4.415 1.00 0.23 H new ATOM 0 HB2 GLU A 51 6.845 5.319 6.047 1.00 0.23 H new ATOM 0 HB3 GLU A 51 8.286 5.175 5.061 1.00 0.23 H new ATOM 0 HG2 GLU A 51 6.928 5.072 3.028 1.00 0.29 H new ATOM 0 HG3 GLU A 51 5.456 5.103 3.978 1.00 0.29 H new ATOM 746 N GLU A 52 7.264 3.001 7.661 1.00 0.24 N ATOM 747 CA GLU A 52 7.872 2.727 8.950 1.00 0.30 C ATOM 748 C GLU A 52 8.316 1.283 9.006 1.00 0.28 C ATOM 749 O GLU A 52 9.396 0.952 9.519 1.00 0.41 O ATOM 750 CB GLU A 52 6.868 2.965 10.077 1.00 0.41 C ATOM 751 CG GLU A 52 6.362 4.384 10.215 1.00 1.14 C ATOM 752 CD GLU A 52 5.345 4.494 11.325 1.00 1.75 C ATOM 753 OE1 GLU A 52 5.622 4.067 12.469 1.00 2.46 O ATOM 754 OE2 GLU A 52 4.224 5.004 11.072 1.00 2.26 O ATOM 0 H GLU A 52 6.262 3.187 7.702 1.00 0.24 H new ATOM 0 HA GLU A 52 8.726 3.393 9.074 1.00 0.30 H new ATOM 0 HB2 GLU A 52 6.013 2.307 9.922 1.00 0.41 H new ATOM 0 HB3 GLU A 52 7.330 2.670 11.019 1.00 0.41 H new ATOM 0 HG2 GLU A 52 7.198 5.053 10.417 1.00 1.14 H new ATOM 0 HG3 GLU A 52 5.915 4.707 9.275 1.00 1.14 H new ATOM 761 N ARG A 53 7.502 0.432 8.449 1.00 0.21 N ATOM 762 CA ARG A 53 7.743 -0.968 8.523 1.00 0.23 C ATOM 763 C ARG A 53 8.650 -1.466 7.415 1.00 0.23 C ATOM 764 O ARG A 53 9.575 -2.231 7.663 1.00 0.32 O ATOM 765 CB ARG A 53 6.437 -1.741 8.553 1.00 0.25 C ATOM 766 CG ARG A 53 5.540 -1.590 7.347 1.00 0.23 C ATOM 767 CD ARG A 53 4.372 -2.540 7.438 1.00 0.34 C ATOM 768 NE ARG A 53 3.579 -2.330 8.648 1.00 0.86 N ATOM 769 CZ ARG A 53 2.738 -3.226 9.183 1.00 0.84 C ATOM 770 NH1 ARG A 53 2.815 -4.517 8.836 1.00 1.08 N ATOM 771 NH2 ARG A 53 1.882 -2.846 10.134 1.00 1.72 N ATOM 0 H ARG A 53 6.660 0.693 7.936 1.00 0.21 H new ATOM 0 HA ARG A 53 8.272 -1.148 9.459 1.00 0.23 H new ATOM 0 HB2 ARG A 53 6.669 -2.799 8.676 1.00 0.25 H new ATOM 0 HB3 ARG A 53 5.877 -1.432 9.436 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.178 -0.564 7.281 1.00 0.23 H new ATOM 0 HG3 ARG A 53 6.107 -1.787 6.437 1.00 0.23 H new ATOM 0 HD2 ARG A 53 3.735 -2.414 6.562 1.00 0.34 H new ATOM 0 HD3 ARG A 53 4.739 -3.566 7.420 1.00 0.34 H new ATOM 0 HE ARG A 53 3.673 -1.432 9.122 1.00 0.86 H new ATOM 0 HH11 ARG A 53 3.516 -4.823 8.161 1.00 1.08 H new ATOM 0 HH12 ARG A 53 2.172 -5.195 9.246 1.00 1.08 H new ATOM 0 HH21 ARG A 53 1.869 -1.877 10.451 1.00 1.72 H new ATOM 0 HH22 ARG A 53 1.240 -3.525 10.544 1.00 1.72 H new ATOM 785 N PHE A 54 8.418 -1.008 6.211 1.00 0.17 N ATOM 786 CA PHE A 54 9.164 -1.495 5.080 1.00 0.19 C ATOM 787 C PHE A 54 10.452 -0.740 4.877 1.00 0.20 C ATOM 788 O PHE A 54 11.356 -1.235 4.220 1.00 0.28 O ATOM 789 CB PHE A 54 8.307 -1.490 3.816 1.00 0.19 C ATOM 790 CG PHE A 54 7.091 -2.373 3.902 1.00 0.22 C ATOM 791 CD1 PHE A 54 7.211 -3.710 4.229 1.00 0.26 C ATOM 792 CD2 PHE A 54 5.831 -1.863 3.644 1.00 0.27 C ATOM 793 CE1 PHE A 54 6.103 -4.525 4.291 1.00 0.32 C ATOM 794 CE2 PHE A 54 4.719 -2.672 3.707 1.00 0.32 C ATOM 795 CZ PHE A 54 4.852 -3.991 4.088 1.00 0.34 C ATOM 0 H PHE A 54 7.719 -0.299 5.989 1.00 0.17 H new ATOM 0 HA PHE A 54 9.439 -2.527 5.297 1.00 0.19 H new ATOM 0 HB2 PHE A 54 7.989 -0.468 3.608 1.00 0.19 H new ATOM 0 HB3 PHE A 54 8.918 -1.811 2.973 1.00 0.19 H new ATOM 0 HD1 PHE A 54 8.187 -4.121 4.439 1.00 0.26 H new ATOM 0 HD2 PHE A 54 5.719 -0.819 3.391 1.00 0.27 H new ATOM 0 HE1 PHE A 54 6.216 -5.579 4.498 1.00 0.32 H new ATOM 0 HE2 PHE A 54 3.746 -2.275 3.459 1.00 0.32 H new ATOM 0 HZ PHE A 54 3.974 -4.604 4.227 1.00 0.34 H new ATOM 805 N ASP A 55 10.512 0.484 5.421 1.00 0.19 N ATOM 806 CA ASP A 55 11.711 1.369 5.361 1.00 0.26 C ATOM 807 C ASP A 55 12.053 1.745 3.901 1.00 0.29 C ATOM 808 O ASP A 55 13.095 2.312 3.587 1.00 0.47 O ATOM 809 CB ASP A 55 12.899 0.709 6.101 1.00 0.36 C ATOM 810 CG ASP A 55 14.118 1.592 6.225 1.00 0.93 C ATOM 811 OD1 ASP A 55 14.157 2.465 7.120 1.00 1.06 O ATOM 812 OD2 ASP A 55 15.043 1.449 5.418 1.00 1.56 O ATOM 0 H ASP A 55 9.728 0.902 5.922 1.00 0.19 H new ATOM 0 HA ASP A 55 11.488 2.305 5.874 1.00 0.26 H new ATOM 0 HB2 ASP A 55 12.573 0.416 7.099 1.00 0.36 H new ATOM 0 HB3 ASP A 55 13.178 -0.204 5.576 1.00 0.36 H new ATOM 817 N VAL A 56 11.109 1.479 3.024 1.00 0.22 N ATOM 818 CA VAL A 56 11.281 1.748 1.614 1.00 0.29 C ATOM 819 C VAL A 56 10.884 3.185 1.333 1.00 0.25 C ATOM 820 O VAL A 56 11.489 3.861 0.497 1.00 0.34 O ATOM 821 CB VAL A 56 10.464 0.748 0.740 1.00 0.42 C ATOM 822 CG1 VAL A 56 9.001 0.754 1.115 1.00 0.93 C ATOM 823 CG2 VAL A 56 10.633 1.041 -0.736 1.00 1.16 C ATOM 0 H VAL A 56 10.206 1.072 3.267 1.00 0.22 H new ATOM 0 HA VAL A 56 12.329 1.609 1.348 1.00 0.29 H new ATOM 0 HB VAL A 56 10.860 -0.248 0.937 1.00 0.42 H new ATOM 0 HG11 VAL A 56 8.461 0.046 0.486 1.00 0.93 H new ATOM 0 HG12 VAL A 56 8.892 0.467 2.161 1.00 0.93 H new ATOM 0 HG13 VAL A 56 8.592 1.754 0.969 1.00 0.93 H new ATOM 0 HG21 VAL A 56 10.051 0.326 -1.318 1.00 1.16 H new ATOM 0 HG22 VAL A 56 10.284 2.052 -0.949 1.00 1.16 H new ATOM 0 HG23 VAL A 56 11.686 0.956 -1.006 1.00 1.16 H new ATOM 833 N LYS A 57 9.886 3.633 2.085 1.00 0.20 N ATOM 834 CA LYS A 57 9.394 4.997 2.053 1.00 0.23 C ATOM 835 C LYS A 57 8.744 5.426 0.710 1.00 0.22 C ATOM 836 O LYS A 57 9.424 5.771 -0.260 1.00 0.31 O ATOM 837 CB LYS A 57 10.476 5.968 2.583 1.00 0.33 C ATOM 838 CG LYS A 57 10.184 7.443 2.416 1.00 0.72 C ATOM 839 CD LYS A 57 10.955 8.280 3.420 1.00 1.20 C ATOM 840 CE LYS A 57 10.360 8.161 4.831 1.00 1.08 C ATOM 841 NZ LYS A 57 9.006 8.770 4.926 1.00 1.48 N ATOM 0 H LYS A 57 9.387 3.040 2.749 1.00 0.20 H new ATOM 0 HA LYS A 57 8.547 5.047 2.737 1.00 0.23 H new ATOM 0 HB2 LYS A 57 10.629 5.766 3.643 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.415 5.745 2.077 1.00 0.33 H new ATOM 0 HG2 LYS A 57 10.445 7.754 1.405 1.00 0.72 H new ATOM 0 HG3 LYS A 57 9.115 7.619 2.538 1.00 0.72 H new ATOM 0 HD2 LYS A 57 11.997 7.961 3.436 1.00 1.20 H new ATOM 0 HD3 LYS A 57 10.946 9.324 3.107 1.00 1.20 H new ATOM 0 HE2 LYS A 57 10.303 7.109 5.111 1.00 1.08 H new ATOM 0 HE3 LYS A 57 11.025 8.646 5.545 1.00 1.08 H new ATOM 0 HZ1 LYS A 57 8.536 8.438 5.792 1.00 1.48 H new ATOM 0 HZ2 LYS A 57 9.093 9.806 4.954 1.00 1.48 H new ATOM 0 HZ3 LYS A 57 8.442 8.492 4.098 1.00 1.48 H new ATOM 855 N ILE A 58 7.414 5.355 0.670 1.00 0.18 N ATOM 856 CA ILE A 58 6.638 5.805 -0.483 1.00 0.20 C ATOM 857 C ILE A 58 5.716 6.863 0.028 1.00 0.22 C ATOM 858 O ILE A 58 4.859 6.580 0.853 1.00 0.34 O ATOM 859 CB ILE A 58 5.703 4.717 -1.177 1.00 0.22 C ATOM 860 CG1 ILE A 58 6.355 3.350 -1.260 1.00 0.25 C ATOM 861 CG2 ILE A 58 5.248 5.178 -2.572 1.00 0.28 C ATOM 862 CD1 ILE A 58 6.277 2.586 0.033 1.00 0.52 C ATOM 0 H ILE A 58 6.847 4.985 1.433 1.00 0.18 H new ATOM 0 HA ILE A 58 7.365 6.110 -1.235 1.00 0.20 H new ATOM 0 HB ILE A 58 4.826 4.618 -0.537 1.00 0.22 H new ATOM 0 HG12 ILE A 58 5.874 2.771 -2.048 1.00 0.25 H new ATOM 0 HG13 ILE A 58 7.401 3.468 -1.544 1.00 0.25 H new ATOM 0 HG21 ILE A 58 4.612 4.414 -3.018 1.00 0.28 H new ATOM 0 HG22 ILE A 58 4.688 6.109 -2.483 1.00 0.28 H new ATOM 0 HG23 ILE A 58 6.121 5.338 -3.205 1.00 0.28 H new ATOM 0 HD11 ILE A 58 6.760 1.616 -0.088 1.00 0.52 H new ATOM 0 HD12 ILE A 58 6.782 3.148 0.819 1.00 0.52 H new ATOM 0 HD13 ILE A 58 5.232 2.439 0.307 1.00 0.52 H new ATOM 874 N PRO A 59 5.897 8.085 -0.376 1.00 0.23 N ATOM 875 CA PRO A 59 4.970 9.137 -0.022 1.00 0.25 C ATOM 876 C PRO A 59 3.675 8.918 -0.789 1.00 0.19 C ATOM 877 O PRO A 59 3.712 8.350 -1.893 1.00 0.19 O ATOM 878 CB PRO A 59 5.667 10.397 -0.531 1.00 0.34 C ATOM 879 CG PRO A 59 6.543 9.912 -1.632 1.00 0.41 C ATOM 880 CD PRO A 59 7.011 8.559 -1.208 1.00 0.34 C ATOM 0 HA PRO A 59 4.729 9.183 1.040 1.00 0.25 H new ATOM 0 HB2 PRO A 59 4.947 11.133 -0.890 1.00 0.34 H new ATOM 0 HB3 PRO A 59 6.247 10.877 0.257 1.00 0.34 H new ATOM 0 HG2 PRO A 59 5.996 9.860 -2.574 1.00 0.41 H new ATOM 0 HG3 PRO A 59 7.385 10.586 -1.789 1.00 0.41 H new ATOM 0 HD2 PRO A 59 7.187 7.904 -2.062 1.00 0.34 H new ATOM 0 HD3 PRO A 59 7.944 8.610 -0.647 1.00 0.34 H new ATOM 888 N ASP A 60 2.543 9.331 -0.229 1.00 0.21 N ATOM 889 CA ASP A 60 1.231 9.233 -0.916 1.00 0.26 C ATOM 890 C ASP A 60 1.302 9.816 -2.349 1.00 0.25 C ATOM 891 O ASP A 60 0.607 9.359 -3.241 1.00 0.35 O ATOM 892 CB ASP A 60 0.098 9.904 -0.112 1.00 0.36 C ATOM 893 CG ASP A 60 0.229 11.411 -0.035 1.00 0.65 C ATOM 894 OD1 ASP A 60 0.987 11.901 0.825 1.00 0.88 O ATOM 895 OD2 ASP A 60 -0.406 12.136 -0.835 1.00 0.95 O ATOM 0 H ASP A 60 2.493 9.741 0.704 1.00 0.21 H new ATOM 0 HA ASP A 60 0.995 8.171 -0.987 1.00 0.26 H new ATOM 0 HB2 ASP A 60 -0.860 9.652 -0.568 1.00 0.36 H new ATOM 0 HB3 ASP A 60 0.087 9.495 0.898 1.00 0.36 H new ATOM 900 N ASP A 61 2.202 10.770 -2.554 1.00 0.22 N ATOM 901 CA ASP A 61 2.453 11.364 -3.874 1.00 0.26 C ATOM 902 C ASP A 61 2.944 10.315 -4.868 1.00 0.27 C ATOM 903 O ASP A 61 2.532 10.295 -6.001 1.00 0.33 O ATOM 904 CB ASP A 61 3.477 12.497 -3.767 1.00 0.36 C ATOM 905 CG ASP A 61 3.835 13.091 -5.111 1.00 0.75 C ATOM 906 OD1 ASP A 61 3.070 13.934 -5.620 1.00 0.81 O ATOM 907 OD2 ASP A 61 4.884 12.727 -5.681 1.00 1.16 O ATOM 0 H ASP A 61 2.783 11.159 -1.811 1.00 0.22 H new ATOM 0 HA ASP A 61 1.509 11.769 -4.239 1.00 0.26 H new ATOM 0 HB2 ASP A 61 3.079 13.281 -3.123 1.00 0.36 H new ATOM 0 HB3 ASP A 61 4.381 12.120 -3.289 1.00 0.36 H new ATOM 912 N ASP A 62 3.792 9.427 -4.410 1.00 0.25 N ATOM 913 CA ASP A 62 4.343 8.359 -5.272 1.00 0.28 C ATOM 914 C ASP A 62 3.443 7.175 -5.279 1.00 0.26 C ATOM 915 O ASP A 62 3.491 6.339 -6.163 1.00 0.36 O ATOM 916 CB ASP A 62 5.763 7.937 -4.902 1.00 0.33 C ATOM 917 CG ASP A 62 6.796 8.914 -5.367 1.00 0.89 C ATOM 918 OD1 ASP A 62 6.764 9.324 -6.535 1.00 1.58 O ATOM 919 OD2 ASP A 62 7.628 9.332 -4.555 1.00 1.58 O ATOM 0 H ASP A 62 4.128 9.406 -3.447 1.00 0.25 H new ATOM 0 HA ASP A 62 4.401 8.786 -6.273 1.00 0.28 H new ATOM 0 HB2 ASP A 62 5.834 7.827 -3.820 1.00 0.33 H new ATOM 0 HB3 ASP A 62 5.972 6.959 -5.337 1.00 0.33 H new ATOM 924 N VAL A 63 2.618 7.121 -4.277 1.00 0.21 N ATOM 925 CA VAL A 63 1.597 6.105 -4.092 1.00 0.25 C ATOM 926 C VAL A 63 0.615 6.081 -5.268 1.00 0.24 C ATOM 927 O VAL A 63 0.013 5.059 -5.569 1.00 0.26 O ATOM 928 CB VAL A 63 0.884 6.329 -2.723 1.00 0.40 C ATOM 929 CG1 VAL A 63 -0.436 5.623 -2.600 1.00 0.51 C ATOM 930 CG2 VAL A 63 1.790 5.879 -1.609 1.00 0.73 C ATOM 0 H VAL A 63 2.630 7.811 -3.526 1.00 0.21 H new ATOM 0 HA VAL A 63 2.066 5.121 -4.072 1.00 0.25 H new ATOM 0 HB VAL A 63 0.673 7.396 -2.658 1.00 0.40 H new ATOM 0 HG11 VAL A 63 -0.868 5.828 -1.621 1.00 0.51 H new ATOM 0 HG12 VAL A 63 -1.113 5.979 -3.377 1.00 0.51 H new ATOM 0 HG13 VAL A 63 -0.286 4.549 -2.713 1.00 0.51 H new ATOM 0 HG21 VAL A 63 1.294 6.035 -0.651 1.00 0.73 H new ATOM 0 HG22 VAL A 63 2.019 4.820 -1.731 1.00 0.73 H new ATOM 0 HG23 VAL A 63 2.715 6.456 -1.637 1.00 0.73 H new ATOM 940 N LYS A 64 0.513 7.195 -5.978 1.00 0.29 N ATOM 941 CA LYS A 64 -0.361 7.254 -7.139 1.00 0.37 C ATOM 942 C LYS A 64 0.212 6.421 -8.267 1.00 0.34 C ATOM 943 O LYS A 64 -0.506 5.923 -9.131 1.00 0.42 O ATOM 944 CB LYS A 64 -0.589 8.684 -7.616 1.00 0.51 C ATOM 945 CG LYS A 64 0.660 9.372 -8.102 1.00 0.58 C ATOM 946 CD LYS A 64 0.403 10.794 -8.538 1.00 0.72 C ATOM 947 CE LYS A 64 -0.176 11.659 -7.415 1.00 0.61 C ATOM 948 NZ LYS A 64 -0.293 13.064 -7.836 1.00 0.87 N ATOM 0 H LYS A 64 1.017 8.058 -5.775 1.00 0.29 H new ATOM 0 HA LYS A 64 -1.327 6.849 -6.837 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -1.324 8.675 -8.421 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -1.018 9.265 -6.799 1.00 0.51 H new ATOM 0 HG2 LYS A 64 1.406 9.368 -7.307 1.00 0.58 H new ATOM 0 HG3 LYS A 64 1.080 8.810 -8.936 1.00 0.58 H new ATOM 0 HD2 LYS A 64 1.335 11.237 -8.889 1.00 0.72 H new ATOM 0 HD3 LYS A 64 -0.286 10.792 -9.382 1.00 0.72 H new ATOM 0 HE2 LYS A 64 -1.157 11.279 -7.128 1.00 0.61 H new ATOM 0 HE3 LYS A 64 0.462 11.592 -6.534 1.00 0.61 H new ATOM 0 HZ1 LYS A 64 -0.688 13.628 -7.057 1.00 0.87 H new ATOM 0 HZ2 LYS A 64 0.647 13.431 -8.087 1.00 0.87 H new ATOM 0 HZ3 LYS A 64 -0.921 13.128 -8.662 1.00 0.87 H new ATOM 962 N ASN A 65 1.506 6.232 -8.210 1.00 0.30 N ATOM 963 CA ASN A 65 2.227 5.477 -9.205 1.00 0.36 C ATOM 964 C ASN A 65 2.145 4.018 -8.846 1.00 0.34 C ATOM 965 O ASN A 65 2.715 3.177 -9.518 1.00 0.56 O ATOM 966 CB ASN A 65 3.706 5.915 -9.243 1.00 0.49 C ATOM 967 CG ASN A 65 3.889 7.401 -9.507 1.00 0.64 C ATOM 968 OD1 ASN A 65 3.103 8.024 -10.227 1.00 1.09 O ATOM 969 ND2 ASN A 65 4.894 7.987 -8.905 1.00 0.67 N ATOM 0 H ASN A 65 2.095 6.602 -7.464 1.00 0.30 H new ATOM 0 HA ASN A 65 1.788 5.653 -10.187 1.00 0.36 H new ATOM 0 HB2 ASN A 65 4.177 5.662 -8.293 1.00 0.49 H new ATOM 0 HB3 ASN A 65 4.225 5.349 -10.017 1.00 0.49 H new ATOM 0 HD21 ASN A 65 5.046 8.989 -9.024 1.00 0.67 H new ATOM 0 HD22 ASN A 65 5.524 7.442 -8.317 1.00 0.67 H new ATOM 976 N LEU A 66 1.428 3.727 -7.763 1.00 0.22 N ATOM 977 CA LEU A 66 1.290 2.374 -7.272 1.00 0.23 C ATOM 978 C LEU A 66 -0.154 2.052 -7.065 1.00 0.37 C ATOM 979 O LEU A 66 -0.490 1.398 -6.114 1.00 0.89 O ATOM 980 CB LEU A 66 1.982 2.206 -5.938 1.00 0.25 C ATOM 981 CG LEU A 66 3.436 2.658 -5.844 1.00 0.30 C ATOM 982 CD1 LEU A 66 3.953 2.483 -4.437 1.00 0.41 C ATOM 983 CD2 LEU A 66 4.319 1.928 -6.832 1.00 0.31 C ATOM 0 H LEU A 66 0.932 4.425 -7.209 1.00 0.22 H new ATOM 0 HA LEU A 66 1.739 1.712 -8.012 1.00 0.23 H new ATOM 0 HB2 LEU A 66 1.409 2.753 -5.189 1.00 0.25 H new ATOM 0 HB3 LEU A 66 1.938 1.152 -5.665 1.00 0.25 H new ATOM 0 HG LEU A 66 3.468 3.717 -6.101 1.00 0.30 H new ATOM 0 HD11 LEU A 66 4.992 2.810 -4.388 1.00 0.41 H new ATOM 0 HD12 LEU A 66 3.352 3.080 -3.751 1.00 0.41 H new ATOM 0 HD13 LEU A 66 3.890 1.432 -4.154 1.00 0.41 H new ATOM 0 HD21 LEU A 66 5.346 2.280 -6.732 1.00 0.31 H new ATOM 0 HD22 LEU A 66 4.281 0.857 -6.632 1.00 0.31 H new ATOM 0 HD23 LEU A 66 3.967 2.120 -7.846 1.00 0.31 H new ATOM 995 N LYS A 67 -0.986 2.499 -7.976 1.00 0.26 N ATOM 996 CA LYS A 67 -2.452 2.268 -7.984 1.00 0.30 C ATOM 997 C LYS A 67 -2.937 0.785 -7.791 1.00 0.36 C ATOM 998 O LYS A 67 -4.142 0.522 -7.859 1.00 0.72 O ATOM 999 CB LYS A 67 -3.036 2.805 -9.259 1.00 0.45 C ATOM 1000 CG LYS A 67 -2.310 2.303 -10.475 1.00 1.06 C ATOM 1001 CD LYS A 67 -3.130 2.523 -11.706 1.00 1.55 C ATOM 1002 CE LYS A 67 -2.366 2.141 -12.943 1.00 1.97 C ATOM 1003 NZ LYS A 67 -3.187 2.298 -14.151 1.00 2.81 N ATOM 0 H LYS A 67 -0.671 3.056 -8.770 1.00 0.26 H new ATOM 0 HA LYS A 67 -2.808 2.796 -7.099 1.00 0.30 H new ATOM 0 HB2 LYS A 67 -4.086 2.521 -9.323 1.00 0.45 H new ATOM 0 HB3 LYS A 67 -3.001 3.894 -9.242 1.00 0.45 H new ATOM 0 HG2 LYS A 67 -1.354 2.817 -10.572 1.00 1.06 H new ATOM 0 HG3 LYS A 67 -2.091 1.241 -10.362 1.00 1.06 H new ATOM 0 HD2 LYS A 67 -4.046 1.936 -11.646 1.00 1.55 H new ATOM 0 HD3 LYS A 67 -3.426 3.570 -11.767 1.00 1.55 H new ATOM 0 HE2 LYS A 67 -1.472 2.760 -13.026 1.00 1.97 H new ATOM 0 HE3 LYS A 67 -2.031 1.107 -12.861 1.00 1.97 H new ATOM 0 HZ1 LYS A 67 -2.631 2.026 -14.987 1.00 2.81 H new ATOM 0 HZ2 LYS A 67 -4.027 1.689 -14.081 1.00 2.81 H new ATOM 0 HZ3 LYS A 67 -3.485 3.290 -14.241 1.00 2.81 H new ATOM 1017 N THR A 68 -2.050 -0.147 -7.601 1.00 0.21 N ATOM 1018 CA THR A 68 -2.427 -1.478 -7.245 1.00 0.19 C ATOM 1019 C THR A 68 -1.627 -1.961 -6.078 1.00 0.18 C ATOM 1020 O THR A 68 -0.548 -1.429 -5.792 1.00 0.25 O ATOM 1021 CB THR A 68 -2.338 -2.500 -8.383 1.00 0.22 C ATOM 1022 OG1 THR A 68 -1.166 -2.296 -9.194 1.00 0.34 O ATOM 1023 CG2 THR A 68 -3.560 -2.490 -9.225 1.00 0.22 C ATOM 0 H THR A 68 -1.044 -0.003 -7.689 1.00 0.21 H new ATOM 0 HA THR A 68 -3.483 -1.406 -6.985 1.00 0.19 H new ATOM 0 HB THR A 68 -2.257 -3.482 -7.916 1.00 0.22 H new ATOM 0 HG1 THR A 68 -1.142 -2.967 -9.908 1.00 0.34 H new ATOM 0 HG21 THR A 68 -3.459 -3.228 -10.021 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.427 -2.735 -8.611 1.00 0.22 H new ATOM 0 HG23 THR A 68 -3.693 -1.500 -9.662 1.00 0.22 H new ATOM 1031 N VAL A 69 -2.117 -2.997 -5.424 1.00 0.14 N ATOM 1032 CA VAL A 69 -1.391 -3.589 -4.318 1.00 0.14 C ATOM 1033 C VAL A 69 -0.031 -4.077 -4.806 1.00 0.16 C ATOM 1034 O VAL A 69 0.994 -3.808 -4.202 1.00 0.18 O ATOM 1035 CB VAL A 69 -2.140 -4.782 -3.739 1.00 0.15 C ATOM 1036 CG1 VAL A 69 -1.392 -5.295 -2.550 1.00 0.18 C ATOM 1037 CG2 VAL A 69 -3.552 -4.417 -3.354 1.00 0.15 C ATOM 0 H VAL A 69 -3.009 -3.443 -5.638 1.00 0.14 H new ATOM 0 HA VAL A 69 -1.280 -2.827 -3.547 1.00 0.14 H new ATOM 0 HB VAL A 69 -2.204 -5.558 -4.502 1.00 0.15 H new ATOM 0 HG11 VAL A 69 -1.921 -6.150 -2.128 1.00 0.18 H new ATOM 0 HG12 VAL A 69 -0.391 -5.602 -2.854 1.00 0.18 H new ATOM 0 HG13 VAL A 69 -1.318 -4.508 -1.799 1.00 0.18 H new ATOM 0 HG21 VAL A 69 -4.056 -5.293 -2.945 1.00 0.15 H new ATOM 0 HG22 VAL A 69 -3.532 -3.627 -2.604 1.00 0.15 H new ATOM 0 HG23 VAL A 69 -4.090 -4.067 -4.235 1.00 0.15 H new ATOM 1047 N GLY A 70 -0.049 -4.763 -5.917 1.00 0.17 N ATOM 1048 CA GLY A 70 1.130 -5.328 -6.516 1.00 0.20 C ATOM 1049 C GLY A 70 2.028 -4.295 -7.104 1.00 0.16 C ATOM 1050 O GLY A 70 3.173 -4.567 -7.364 1.00 0.17 O ATOM 0 H GLY A 70 -0.903 -4.949 -6.443 1.00 0.17 H new ATOM 0 HA2 GLY A 70 1.679 -5.895 -5.764 1.00 0.20 H new ATOM 0 HA3 GLY A 70 0.835 -6.033 -7.294 1.00 0.20 H new ATOM 1054 N ASP A 71 1.509 -3.106 -7.311 1.00 0.15 N ATOM 1055 CA ASP A 71 2.319 -2.018 -7.826 1.00 0.16 C ATOM 1056 C ASP A 71 3.118 -1.496 -6.671 1.00 0.14 C ATOM 1057 O ASP A 71 4.317 -1.275 -6.764 1.00 0.15 O ATOM 1058 CB ASP A 71 1.455 -0.902 -8.336 1.00 0.21 C ATOM 1059 CG ASP A 71 2.122 -0.066 -9.416 1.00 0.31 C ATOM 1060 OD1 ASP A 71 3.377 0.020 -9.403 1.00 0.46 O ATOM 1061 OD2 ASP A 71 1.422 0.606 -10.206 1.00 0.62 O ATOM 0 H ASP A 71 0.534 -2.865 -7.133 1.00 0.15 H new ATOM 0 HA ASP A 71 2.945 -2.374 -8.644 1.00 0.16 H new ATOM 0 HB2 ASP A 71 0.529 -1.321 -8.731 1.00 0.21 H new ATOM 0 HB3 ASP A 71 1.182 -0.254 -7.503 1.00 0.21 H new ATOM 1066 N ALA A 72 2.434 -1.338 -5.545 1.00 0.15 N ATOM 1067 CA ALA A 72 3.082 -0.951 -4.313 1.00 0.16 C ATOM 1068 C ALA A 72 4.089 -2.011 -3.946 1.00 0.15 C ATOM 1069 O ALA A 72 5.240 -1.720 -3.699 1.00 0.17 O ATOM 1070 CB ALA A 72 2.060 -0.824 -3.222 1.00 0.21 C ATOM 0 H ALA A 72 1.426 -1.474 -5.467 1.00 0.15 H new ATOM 0 HA ALA A 72 3.582 0.009 -4.441 1.00 0.16 H new ATOM 0 HB1 ALA A 72 2.552 -0.532 -2.294 1.00 0.21 H new ATOM 0 HB2 ALA A 72 1.326 -0.067 -3.497 1.00 0.21 H new ATOM 0 HB3 ALA A 72 1.558 -1.781 -3.081 1.00 0.21 H new ATOM 1076 N THR A 73 3.645 -3.252 -4.000 1.00 0.14 N ATOM 1077 CA THR A 73 4.464 -4.412 -3.706 1.00 0.16 C ATOM 1078 C THR A 73 5.649 -4.506 -4.690 1.00 0.18 C ATOM 1079 O THR A 73 6.713 -4.999 -4.347 1.00 0.28 O ATOM 1080 CB THR A 73 3.595 -5.700 -3.765 1.00 0.17 C ATOM 1081 OG1 THR A 73 2.480 -5.556 -2.877 1.00 0.19 O ATOM 1082 CG2 THR A 73 4.373 -6.934 -3.357 1.00 0.19 C ATOM 0 H THR A 73 2.686 -3.487 -4.255 1.00 0.14 H new ATOM 0 HA THR A 73 4.871 -4.310 -2.700 1.00 0.16 H new ATOM 0 HB THR A 73 3.268 -5.827 -4.797 1.00 0.17 H new ATOM 0 HG1 THR A 73 1.741 -5.119 -3.349 1.00 0.19 H new ATOM 0 HG21 THR A 73 3.725 -7.808 -3.414 1.00 0.19 H new ATOM 0 HG22 THR A 73 5.222 -7.067 -4.028 1.00 0.19 H new ATOM 0 HG23 THR A 73 4.733 -6.816 -2.335 1.00 0.19 H new ATOM 1090 N LYS A 74 5.471 -3.940 -5.872 1.00 0.15 N ATOM 1091 CA LYS A 74 6.476 -3.950 -6.901 1.00 0.18 C ATOM 1092 C LYS A 74 7.604 -3.061 -6.428 1.00 0.18 C ATOM 1093 O LYS A 74 8.722 -3.519 -6.216 1.00 0.26 O ATOM 1094 CB LYS A 74 5.887 -3.369 -8.200 1.00 0.23 C ATOM 1095 CG LYS A 74 6.666 -3.643 -9.467 1.00 0.39 C ATOM 1096 CD LYS A 74 6.460 -5.072 -9.941 1.00 1.21 C ATOM 1097 CE LYS A 74 4.999 -5.346 -10.346 1.00 1.65 C ATOM 1098 NZ LYS A 74 4.542 -4.453 -11.441 1.00 2.01 N ATOM 0 H LYS A 74 4.613 -3.458 -6.139 1.00 0.15 H new ATOM 0 HA LYS A 74 6.826 -4.964 -7.094 1.00 0.18 H new ATOM 0 HB2 LYS A 74 4.879 -3.764 -8.326 1.00 0.23 H new ATOM 0 HB3 LYS A 74 5.794 -2.289 -8.081 1.00 0.23 H new ATOM 0 HG2 LYS A 74 6.352 -2.950 -10.247 1.00 0.39 H new ATOM 0 HG3 LYS A 74 7.727 -3.465 -9.290 1.00 0.39 H new ATOM 0 HD2 LYS A 74 7.114 -5.269 -10.791 1.00 1.21 H new ATOM 0 HD3 LYS A 74 6.751 -5.761 -9.148 1.00 1.21 H new ATOM 0 HE2 LYS A 74 4.900 -6.385 -10.662 1.00 1.65 H new ATOM 0 HE3 LYS A 74 4.353 -5.214 -9.478 1.00 1.65 H new ATOM 0 HZ1 LYS A 74 3.629 -4.791 -11.806 1.00 2.01 H new ATOM 0 HZ2 LYS A 74 4.432 -3.485 -11.077 1.00 2.01 H new ATOM 0 HZ3 LYS A 74 5.244 -4.457 -12.208 1.00 2.01 H new ATOM 1112 N TYR A 75 7.249 -1.816 -6.170 1.00 0.15 N ATOM 1113 CA TYR A 75 8.154 -0.777 -5.752 1.00 0.16 C ATOM 1114 C TYR A 75 8.791 -1.113 -4.401 1.00 0.16 C ATOM 1115 O TYR A 75 10.009 -0.961 -4.206 1.00 0.18 O ATOM 1116 CB TYR A 75 7.337 0.513 -5.655 1.00 0.22 C ATOM 1117 CG TYR A 75 8.112 1.755 -5.337 1.00 0.26 C ATOM 1118 CD1 TYR A 75 8.798 2.422 -6.330 1.00 0.49 C ATOM 1119 CD2 TYR A 75 8.139 2.275 -4.054 1.00 0.32 C ATOM 1120 CE1 TYR A 75 9.499 3.574 -6.061 1.00 0.56 C ATOM 1121 CE2 TYR A 75 8.838 3.424 -3.771 1.00 0.37 C ATOM 1122 CZ TYR A 75 9.518 4.074 -4.777 1.00 0.44 C ATOM 1123 OH TYR A 75 10.214 5.228 -4.497 1.00 0.50 O ATOM 0 H TYR A 75 6.284 -1.495 -6.251 1.00 0.15 H new ATOM 0 HA TYR A 75 8.969 -0.670 -6.468 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.818 0.664 -6.602 1.00 0.22 H new ATOM 0 HB3 TYR A 75 6.572 0.379 -4.890 1.00 0.22 H new ATOM 0 HD1 TYR A 75 8.784 2.033 -7.337 1.00 0.49 H new ATOM 0 HD2 TYR A 75 7.603 1.770 -3.264 1.00 0.32 H new ATOM 0 HE1 TYR A 75 10.031 4.084 -6.851 1.00 0.56 H new ATOM 0 HE2 TYR A 75 8.854 3.815 -2.765 1.00 0.37 H new ATOM 0 HH TYR A 75 10.123 5.442 -3.545 1.00 0.50 H new ATOM 1133 N ILE A 76 7.974 -1.585 -3.490 1.00 0.16 N ATOM 1134 CA ILE A 76 8.392 -1.895 -2.153 1.00 0.18 C ATOM 1135 C ILE A 76 9.330 -3.104 -2.090 1.00 0.21 C ATOM 1136 O ILE A 76 10.284 -3.085 -1.334 1.00 0.32 O ATOM 1137 CB ILE A 76 7.175 -2.064 -1.190 1.00 0.18 C ATOM 1138 CG1 ILE A 76 6.410 -0.740 -1.097 1.00 0.20 C ATOM 1139 CG2 ILE A 76 7.612 -2.531 0.200 1.00 0.28 C ATOM 1140 CD1 ILE A 76 5.145 -0.793 -0.267 1.00 0.21 C ATOM 0 H ILE A 76 6.985 -1.766 -3.664 1.00 0.16 H new ATOM 0 HA ILE A 76 8.969 -1.037 -1.808 1.00 0.18 H new ATOM 0 HB ILE A 76 6.521 -2.835 -1.597 1.00 0.18 H new ATOM 0 HG12 ILE A 76 7.072 0.017 -0.676 1.00 0.20 H new ATOM 0 HG13 ILE A 76 6.153 -0.414 -2.105 1.00 0.20 H new ATOM 0 HG21 ILE A 76 6.736 -2.637 0.840 1.00 0.28 H new ATOM 0 HG22 ILE A 76 8.120 -3.492 0.118 1.00 0.28 H new ATOM 0 HG23 ILE A 76 8.292 -1.797 0.633 1.00 0.28 H new ATOM 0 HD11 ILE A 76 4.673 0.190 -0.260 1.00 0.21 H new ATOM 0 HD12 ILE A 76 4.458 -1.522 -0.697 1.00 0.21 H new ATOM 0 HD13 ILE A 76 5.392 -1.085 0.754 1.00 0.21 H new ATOM 1152 N LEU A 77 9.081 -4.131 -2.886 1.00 0.19 N ATOM 1153 CA LEU A 77 9.929 -5.327 -2.843 1.00 0.23 C ATOM 1154 C LEU A 77 11.220 -5.030 -3.591 1.00 0.29 C ATOM 1155 O LEU A 77 12.311 -5.370 -3.140 1.00 0.34 O ATOM 1156 CB LEU A 77 9.200 -6.547 -3.470 1.00 0.23 C ATOM 1157 CG LEU A 77 9.796 -7.956 -3.207 1.00 0.34 C ATOM 1158 CD1 LEU A 77 8.753 -9.015 -3.513 1.00 0.92 C ATOM 1159 CD2 LEU A 77 11.032 -8.227 -4.061 1.00 0.87 C ATOM 0 H LEU A 77 8.316 -4.169 -3.560 1.00 0.19 H new ATOM 0 HA LEU A 77 10.152 -5.580 -1.806 1.00 0.23 H new ATOM 0 HB2 LEU A 77 8.171 -6.545 -3.109 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.160 -6.396 -4.549 1.00 0.23 H new ATOM 0 HG LEU A 77 10.091 -7.992 -2.158 1.00 0.34 H new ATOM 0 HD11 LEU A 77 9.173 -10.004 -3.328 1.00 0.92 H new ATOM 0 HD12 LEU A 77 7.883 -8.865 -2.873 1.00 0.92 H new ATOM 0 HD13 LEU A 77 8.452 -8.938 -4.558 1.00 0.92 H new ATOM 0 HD21 LEU A 77 11.414 -9.224 -3.842 1.00 0.87 H new ATOM 0 HD22 LEU A 77 10.766 -8.163 -5.116 1.00 0.87 H new ATOM 0 HD23 LEU A 77 11.800 -7.487 -3.835 1.00 0.87 H new ATOM 1171 N ASP A 78 11.071 -4.352 -4.722 1.00 0.33 N ATOM 1172 CA ASP A 78 12.192 -3.991 -5.597 1.00 0.41 C ATOM 1173 C ASP A 78 13.188 -3.120 -4.855 1.00 0.45 C ATOM 1174 O ASP A 78 14.394 -3.338 -4.914 1.00 0.53 O ATOM 1175 CB ASP A 78 11.666 -3.270 -6.840 1.00 0.43 C ATOM 1176 CG ASP A 78 12.734 -2.871 -7.818 1.00 0.52 C ATOM 1177 OD1 ASP A 78 13.280 -3.748 -8.499 1.00 0.68 O ATOM 1178 OD2 ASP A 78 13.091 -1.669 -7.870 1.00 0.54 O ATOM 0 H ASP A 78 10.165 -4.033 -5.065 1.00 0.33 H new ATOM 0 HA ASP A 78 12.706 -4.901 -5.908 1.00 0.41 H new ATOM 0 HB2 ASP A 78 10.949 -3.917 -7.346 1.00 0.43 H new ATOM 0 HB3 ASP A 78 11.124 -2.378 -6.527 1.00 0.43 H new ATOM 1183 N HIS A 79 12.680 -2.158 -4.123 1.00 0.41 N ATOM 1184 CA HIS A 79 13.537 -1.302 -3.338 1.00 0.47 C ATOM 1185 C HIS A 79 13.929 -1.949 -2.030 1.00 0.52 C ATOM 1186 O HIS A 79 15.107 -2.188 -1.795 1.00 0.74 O ATOM 1187 CB HIS A 79 12.916 0.061 -3.102 1.00 0.47 C ATOM 1188 CG HIS A 79 13.111 1.022 -4.224 1.00 0.52 C ATOM 1189 ND1 HIS A 79 14.211 1.834 -4.329 1.00 0.73 N ATOM 1190 CD2 HIS A 79 12.342 1.302 -5.295 1.00 0.53 C ATOM 1191 CE1 HIS A 79 14.111 2.569 -5.408 1.00 0.79 C ATOM 1192 NE2 HIS A 79 12.987 2.267 -6.014 1.00 0.67 N ATOM 0 H HIS A 79 11.684 -1.949 -4.054 1.00 0.41 H new ATOM 0 HA HIS A 79 14.446 -1.153 -3.921 1.00 0.47 H new ATOM 0 HB2 HIS A 79 11.847 -0.064 -2.927 1.00 0.47 H new ATOM 0 HB3 HIS A 79 13.340 0.489 -2.194 1.00 0.47 H new ATOM 0 HD2 HIS A 79 11.393 0.848 -5.539 1.00 0.53 H new ATOM 0 HE1 HIS A 79 14.832 3.300 -5.743 1.00 0.79 H new ATOM 0 HE2 HIS A 79 12.650 2.685 -6.881 1.00 0.67 H new