USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 937 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 37 TYR OH : rot 150:sc= 0.0425 USER MOD Set 1.2: A 69 SER OG : rot -143:sc= 0.0444 USER MOD Single : A 1 MET CE :methyl -143:sc= -0.611 (180deg=-2.8!) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0155 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= -0.194 (180deg=-0.281) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= -0.0453 (180deg=-0.295) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.194 X(o=0.19,f=-0.057) USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0243) USER MOD Single : A 36 GLN : amide:sc= -0.296 K(o=-0.3,f=-4.1!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0.75 (180deg=0.634) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 0.624 (180deg=0.38) USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= 0.242 (180deg=0.146) USER MOD Single : A 84 LYS NZ :NH3+ -132:sc= 0.816 (180deg=-0.0116) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -110:sc= 0.00129 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -49:sc= 0.0984 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.2) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0353 X(o=-0.035,f=-0.11) USER MOD Single : A 111 HIS : no HD1:sc= -0.0062 X(o=-0.0062,f=-0.0043) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.707 -4.488 21.537 1.00 53.44 N ATOM 2 CA MET A 1 -3.792 -3.992 20.141 1.00 51.14 C ATOM 3 C MET A 1 -2.656 -4.607 19.316 1.00 44.02 C ATOM 4 O MET A 1 -1.517 -4.691 19.794 1.00 34.05 O ATOM 5 CB MET A 1 -3.738 -2.438 20.130 1.00 64.24 C ATOM 6 CG MET A 1 -4.021 -1.778 18.777 1.00 24.41 C ATOM 7 SD MET A 1 -4.081 0.025 18.885 1.00 53.22 S ATOM 8 CE MET A 1 -4.633 0.479 17.239 1.00 11.44 C ATOM 0 H1 MET A 1 -3.785 -3.687 22.195 1.00 53.44 H new ATOM 0 H2 MET A 1 -4.481 -5.159 21.715 1.00 53.44 H new ATOM 0 H3 MET A 1 -2.795 -4.966 21.681 1.00 53.44 H new ATOM 0 HA MET A 1 -4.739 -4.292 19.692 1.00 51.14 H new ATOM 0 HB2 MET A 1 -4.459 -2.062 20.856 1.00 64.24 H new ATOM 0 HB3 MET A 1 -2.751 -2.124 20.469 1.00 64.24 H new ATOM 0 HG2 MET A 1 -3.249 -2.071 18.065 1.00 24.41 H new ATOM 0 HG3 MET A 1 -4.970 -2.147 18.388 1.00 24.41 H new ATOM 0 HE1 MET A 1 -4.131 1.395 16.927 1.00 11.44 H new ATOM 0 HE2 MET A 1 -4.393 -0.323 16.541 1.00 11.44 H new ATOM 0 HE3 MET A 1 -5.711 0.641 17.249 1.00 11.44 H new ATOM 20 N LEU A 2 -2.965 -5.060 18.088 1.00 61.21 N ATOM 21 CA LEU A 2 -1.984 -5.730 17.216 1.00 13.41 C ATOM 22 C LEU A 2 -1.462 -4.788 16.135 1.00 2.34 C ATOM 23 O LEU A 2 -2.078 -3.760 15.847 1.00 43.32 O ATOM 24 CB LEU A 2 -2.564 -7.043 16.598 1.00 1.24 C ATOM 25 CG LEU A 2 -3.923 -6.970 15.805 1.00 61.33 C ATOM 26 CD1 LEU A 2 -3.812 -6.295 14.409 1.00 53.43 C ATOM 27 CD2 LEU A 2 -4.560 -8.371 15.680 1.00 34.51 C ATOM 0 H LEU A 2 -3.894 -4.973 17.675 1.00 61.21 H new ATOM 0 HA LEU A 2 -1.137 -6.013 17.841 1.00 13.41 H new ATOM 0 HB2 LEU A 2 -1.810 -7.453 15.925 1.00 1.24 H new ATOM 0 HB3 LEU A 2 -2.692 -7.761 17.408 1.00 1.24 H new ATOM 0 HG LEU A 2 -4.572 -6.324 16.396 1.00 61.33 H new ATOM 0 HD11 LEU A 2 -4.791 -6.286 13.930 1.00 53.43 H new ATOM 0 HD12 LEU A 2 -3.456 -5.272 14.527 1.00 53.43 H new ATOM 0 HD13 LEU A 2 -3.111 -6.854 13.789 1.00 53.43 H new ATOM 0 HD21 LEU A 2 -5.497 -8.297 15.129 1.00 34.51 H new ATOM 0 HD22 LEU A 2 -3.878 -9.035 15.148 1.00 34.51 H new ATOM 0 HD23 LEU A 2 -4.755 -8.772 16.675 1.00 34.51 H new ATOM 39 N THR A 3 -0.307 -5.142 15.562 1.00 5.34 N ATOM 40 CA THR A 3 0.264 -4.457 14.398 1.00 62.34 C ATOM 41 C THR A 3 0.620 -5.498 13.318 1.00 63.43 C ATOM 42 O THR A 3 1.241 -6.529 13.619 1.00 42.10 O ATOM 43 CB THR A 3 1.537 -3.636 14.793 1.00 30.22 C ATOM 44 OG1 THR A 3 1.276 -2.830 15.953 1.00 13.11 O ATOM 45 CG2 THR A 3 1.989 -2.704 13.670 1.00 75.30 C ATOM 0 H THR A 3 0.263 -5.919 15.896 1.00 5.34 H new ATOM 0 HA THR A 3 -0.476 -3.759 14.007 1.00 62.34 H new ATOM 0 HB THR A 3 2.323 -4.363 14.995 1.00 30.22 H new ATOM 0 HG1 THR A 3 2.082 -2.324 16.188 1.00 13.11 H new ATOM 0 HG21 THR A 3 2.875 -2.154 13.988 1.00 75.30 H new ATOM 0 HG22 THR A 3 2.225 -3.291 12.783 1.00 75.30 H new ATOM 0 HG23 THR A 3 1.190 -2.000 13.437 1.00 75.30 H new ATOM 53 N VAL A 4 0.224 -5.237 12.061 1.00 1.13 N ATOM 54 CA VAL A 4 0.481 -6.146 10.935 1.00 22.30 C ATOM 55 C VAL A 4 1.296 -5.442 9.843 1.00 60.41 C ATOM 56 O VAL A 4 0.892 -4.402 9.324 1.00 12.44 O ATOM 57 CB VAL A 4 -0.858 -6.742 10.349 1.00 54.33 C ATOM 58 CG1 VAL A 4 -1.851 -5.641 9.932 1.00 44.40 C ATOM 59 CG2 VAL A 4 -0.584 -7.709 9.170 1.00 31.45 C ATOM 0 H VAL A 4 -0.282 -4.391 11.799 1.00 1.13 H new ATOM 0 HA VAL A 4 1.069 -6.982 11.314 1.00 22.30 H new ATOM 0 HB VAL A 4 -1.322 -7.313 11.154 1.00 54.33 H new ATOM 0 HG11 VAL A 4 -2.757 -6.099 9.535 1.00 44.40 H new ATOM 0 HG12 VAL A 4 -2.103 -5.031 10.799 1.00 44.40 H new ATOM 0 HG13 VAL A 4 -1.397 -5.012 9.166 1.00 44.40 H new ATOM 0 HG21 VAL A 4 -1.529 -8.099 8.792 1.00 31.45 H new ATOM 0 HG22 VAL A 4 -0.068 -7.174 8.373 1.00 31.45 H new ATOM 0 HG23 VAL A 4 0.038 -8.535 9.514 1.00 31.45 H new ATOM 69 N GLU A 5 2.460 -6.006 9.527 1.00 3.05 N ATOM 70 CA GLU A 5 3.263 -5.583 8.380 1.00 22.33 C ATOM 71 C GLU A 5 2.943 -6.481 7.183 1.00 41.12 C ATOM 72 O GLU A 5 2.867 -7.712 7.307 1.00 40.04 O ATOM 73 CB GLU A 5 4.786 -5.656 8.678 1.00 52.45 C ATOM 74 CG GLU A 5 5.293 -4.658 9.726 1.00 12.43 C ATOM 75 CD GLU A 5 6.805 -4.755 9.982 1.00 21.24 C ATOM 76 OE1 GLU A 5 7.589 -4.148 9.219 1.00 63.31 O ATOM 77 OE2 GLU A 5 7.219 -5.431 10.948 1.00 3.44 O ATOM 0 H GLU A 5 2.874 -6.771 10.060 1.00 3.05 H new ATOM 0 HA GLU A 5 3.013 -4.545 8.162 1.00 22.33 H new ATOM 0 HB2 GLU A 5 5.027 -6.665 9.013 1.00 52.45 H new ATOM 0 HB3 GLU A 5 5.331 -5.491 7.748 1.00 52.45 H new ATOM 0 HG2 GLU A 5 5.052 -3.646 9.400 1.00 12.43 H new ATOM 0 HG3 GLU A 5 4.762 -4.826 10.663 1.00 12.43 H new ATOM 84 N VAL A 6 2.730 -5.847 6.036 1.00 74.15 N ATOM 85 CA VAL A 6 2.603 -6.531 4.764 1.00 41.41 C ATOM 86 C VAL A 6 3.662 -5.957 3.809 1.00 32.53 C ATOM 87 O VAL A 6 3.744 -4.736 3.581 1.00 22.41 O ATOM 88 CB VAL A 6 1.149 -6.422 4.184 1.00 25.24 C ATOM 89 CG1 VAL A 6 0.717 -4.963 3.959 1.00 4.14 C ATOM 90 CG2 VAL A 6 1.006 -7.256 2.898 1.00 51.22 C ATOM 0 H VAL A 6 2.640 -4.833 5.967 1.00 74.15 H new ATOM 0 HA VAL A 6 2.778 -7.599 4.897 1.00 41.41 H new ATOM 0 HB VAL A 6 0.473 -6.835 4.933 1.00 25.24 H new ATOM 0 HG11 VAL A 6 -0.296 -4.941 3.557 1.00 4.14 H new ATOM 0 HG12 VAL A 6 0.743 -4.426 4.907 1.00 4.14 H new ATOM 0 HG13 VAL A 6 1.398 -4.487 3.253 1.00 4.14 H new ATOM 0 HG21 VAL A 6 -0.011 -7.164 2.516 1.00 51.22 H new ATOM 0 HG22 VAL A 6 1.710 -6.893 2.149 1.00 51.22 H new ATOM 0 HG23 VAL A 6 1.218 -8.302 3.118 1.00 51.22 H new ATOM 100 N GLU A 7 4.526 -6.850 3.326 1.00 14.51 N ATOM 101 CA GLU A 7 5.588 -6.539 2.373 1.00 40.05 C ATOM 102 C GLU A 7 5.038 -6.762 0.956 1.00 30.51 C ATOM 103 O GLU A 7 4.845 -7.905 0.527 1.00 2.43 O ATOM 104 CB GLU A 7 6.788 -7.476 2.672 1.00 40.14 C ATOM 105 CG GLU A 7 8.032 -7.259 1.791 1.00 14.01 C ATOM 106 CD GLU A 7 9.120 -8.326 2.005 1.00 75.45 C ATOM 107 OE1 GLU A 7 9.514 -8.570 3.175 1.00 51.11 O ATOM 108 OE2 GLU A 7 9.588 -8.938 1.019 1.00 62.05 O ATOM 0 H GLU A 7 4.505 -7.834 3.594 1.00 14.51 H new ATOM 0 HA GLU A 7 5.923 -5.505 2.456 1.00 40.05 H new ATOM 0 HB2 GLU A 7 7.076 -7.348 3.715 1.00 40.14 H new ATOM 0 HB3 GLU A 7 6.458 -8.509 2.557 1.00 40.14 H new ATOM 0 HG2 GLU A 7 7.732 -7.260 0.743 1.00 14.01 H new ATOM 0 HG3 GLU A 7 8.451 -6.275 2.001 1.00 14.01 H new ATOM 115 N VAL A 8 4.751 -5.672 0.243 1.00 44.42 N ATOM 116 CA VAL A 8 4.234 -5.729 -1.120 1.00 44.53 C ATOM 117 C VAL A 8 5.369 -5.353 -2.078 1.00 51.32 C ATOM 118 O VAL A 8 5.769 -4.189 -2.147 1.00 34.45 O ATOM 119 CB VAL A 8 3.010 -4.747 -1.292 1.00 30.23 C ATOM 120 CG1 VAL A 8 2.414 -4.827 -2.716 1.00 23.35 C ATOM 121 CG2 VAL A 8 1.922 -4.999 -0.210 1.00 61.11 C ATOM 0 H VAL A 8 4.872 -4.723 0.598 1.00 44.42 H new ATOM 0 HA VAL A 8 3.879 -6.735 -1.342 1.00 44.53 H new ATOM 0 HB VAL A 8 3.386 -3.734 -1.151 1.00 30.23 H new ATOM 0 HG11 VAL A 8 1.574 -4.138 -2.798 1.00 23.35 H new ATOM 0 HG12 VAL A 8 3.177 -4.557 -3.446 1.00 23.35 H new ATOM 0 HG13 VAL A 8 2.070 -5.843 -2.910 1.00 23.35 H new ATOM 0 HG21 VAL A 8 1.094 -4.306 -0.358 1.00 61.11 H new ATOM 0 HG22 VAL A 8 1.557 -6.023 -0.292 1.00 61.11 H new ATOM 0 HG23 VAL A 8 2.351 -4.845 0.780 1.00 61.11 H new ATOM 131 N LYS A 9 5.901 -6.344 -2.790 1.00 55.04 N ATOM 132 CA LYS A 9 6.952 -6.147 -3.791 1.00 50.53 C ATOM 133 C LYS A 9 6.317 -5.807 -5.148 1.00 12.32 C ATOM 134 O LYS A 9 5.791 -6.671 -5.843 1.00 21.12 O ATOM 135 CB LYS A 9 7.874 -7.403 -3.869 1.00 2.43 C ATOM 136 CG LYS A 9 9.119 -7.333 -2.949 1.00 40.43 C ATOM 137 CD LYS A 9 9.910 -8.665 -2.893 1.00 3.22 C ATOM 138 CE LYS A 9 11.224 -8.545 -2.099 1.00 5.03 C ATOM 139 NZ LYS A 9 12.199 -7.646 -2.763 1.00 72.15 N ATOM 0 H LYS A 9 5.613 -7.317 -2.689 1.00 55.04 H new ATOM 0 HA LYS A 9 7.583 -5.308 -3.499 1.00 50.53 H new ATOM 0 HB2 LYS A 9 7.291 -8.285 -3.606 1.00 2.43 H new ATOM 0 HB3 LYS A 9 8.204 -7.535 -4.899 1.00 2.43 H new ATOM 0 HG2 LYS A 9 9.779 -6.540 -3.301 1.00 40.43 H new ATOM 0 HG3 LYS A 9 8.804 -7.062 -1.941 1.00 40.43 H new ATOM 0 HD2 LYS A 9 9.285 -9.434 -2.439 1.00 3.22 H new ATOM 0 HD3 LYS A 9 10.133 -8.993 -3.908 1.00 3.22 H new ATOM 0 HE2 LYS A 9 11.009 -8.170 -1.098 1.00 5.03 H new ATOM 0 HE3 LYS A 9 11.667 -9.534 -1.980 1.00 5.03 H new ATOM 0 HZ1 LYS A 9 13.122 -7.725 -2.291 1.00 72.15 H new ATOM 0 HZ2 LYS A 9 12.297 -7.918 -3.762 1.00 72.15 H new ATOM 0 HZ3 LYS A 9 11.863 -6.664 -2.703 1.00 72.15 H new ATOM 153 N ILE A 10 6.395 -4.526 -5.495 1.00 13.52 N ATOM 154 CA ILE A 10 5.810 -3.958 -6.693 1.00 12.13 C ATOM 155 C ILE A 10 6.879 -3.932 -7.793 1.00 75.13 C ATOM 156 O ILE A 10 7.804 -3.112 -7.759 1.00 34.55 O ATOM 157 CB ILE A 10 5.316 -2.490 -6.412 1.00 40.14 C ATOM 158 CG1 ILE A 10 4.389 -2.445 -5.150 1.00 41.15 C ATOM 159 CG2 ILE A 10 4.615 -1.905 -7.658 1.00 23.10 C ATOM 160 CD1 ILE A 10 3.907 -1.062 -4.754 1.00 50.04 C ATOM 0 H ILE A 10 6.885 -3.836 -4.926 1.00 13.52 H new ATOM 0 HA ILE A 10 4.958 -4.562 -7.005 1.00 12.13 H new ATOM 0 HB ILE A 10 6.184 -1.867 -6.199 1.00 40.14 H new ATOM 0 HG12 ILE A 10 3.520 -3.077 -5.334 1.00 41.15 H new ATOM 0 HG13 ILE A 10 4.927 -2.880 -4.308 1.00 41.15 H new ATOM 0 HG21 ILE A 10 4.281 -0.890 -7.444 1.00 23.10 H new ATOM 0 HG22 ILE A 10 5.314 -1.888 -8.494 1.00 23.10 H new ATOM 0 HG23 ILE A 10 3.755 -2.523 -7.916 1.00 23.10 H new ATOM 0 HD11 ILE A 10 3.273 -1.137 -3.871 1.00 50.04 H new ATOM 0 HD12 ILE A 10 4.765 -0.427 -4.532 1.00 50.04 H new ATOM 0 HD13 ILE A 10 3.336 -0.627 -5.574 1.00 50.04 H new ATOM 172 N THR A 11 6.760 -4.841 -8.748 1.00 54.22 N ATOM 173 CA THR A 11 7.634 -4.879 -9.920 1.00 64.13 C ATOM 174 C THR A 11 6.977 -4.066 -11.054 1.00 51.40 C ATOM 175 O THR A 11 5.950 -4.467 -11.599 1.00 12.11 O ATOM 176 CB THR A 11 7.969 -6.355 -10.352 1.00 31.14 C ATOM 177 OG1 THR A 11 8.734 -6.350 -11.567 1.00 70.15 O ATOM 178 CG2 THR A 11 6.733 -7.253 -10.535 1.00 75.22 C ATOM 0 H THR A 11 6.054 -5.577 -8.736 1.00 54.22 H new ATOM 0 HA THR A 11 8.593 -4.424 -9.673 1.00 64.13 H new ATOM 0 HB THR A 11 8.544 -6.781 -9.530 1.00 31.14 H new ATOM 0 HG1 THR A 11 8.940 -7.272 -11.828 1.00 70.15 H new ATOM 0 HG21 THR A 11 7.050 -8.252 -10.833 1.00 75.22 H new ATOM 0 HG22 THR A 11 6.183 -7.311 -9.596 1.00 75.22 H new ATOM 0 HG23 THR A 11 6.089 -6.832 -11.307 1.00 75.22 H new ATOM 186 N ALA A 12 7.567 -2.901 -11.374 1.00 12.04 N ATOM 187 CA ALA A 12 7.053 -1.979 -12.411 1.00 13.32 C ATOM 188 C ALA A 12 8.138 -1.731 -13.470 1.00 53.44 C ATOM 189 O ALA A 12 9.256 -2.252 -13.359 1.00 21.53 O ATOM 190 CB ALA A 12 6.591 -0.655 -11.770 1.00 51.14 C ATOM 0 H ALA A 12 8.418 -2.568 -10.921 1.00 12.04 H new ATOM 0 HA ALA A 12 6.191 -2.433 -12.900 1.00 13.32 H new ATOM 0 HB1 ALA A 12 6.216 0.013 -12.545 1.00 51.14 H new ATOM 0 HB2 ALA A 12 5.798 -0.857 -11.050 1.00 51.14 H new ATOM 0 HB3 ALA A 12 7.432 -0.184 -11.261 1.00 51.14 H new ATOM 196 N ASP A 13 7.808 -0.933 -14.497 1.00 54.35 N ATOM 197 CA ASP A 13 8.754 -0.597 -15.583 1.00 45.53 C ATOM 198 C ASP A 13 9.694 0.550 -15.166 1.00 12.34 C ATOM 199 O ASP A 13 10.795 0.688 -15.708 1.00 73.13 O ATOM 200 CB ASP A 13 7.982 -0.251 -16.868 1.00 4.52 C ATOM 201 CG ASP A 13 7.117 -1.431 -17.358 1.00 62.44 C ATOM 202 OD1 ASP A 13 7.667 -2.358 -18.002 1.00 23.23 O ATOM 203 OD2 ASP A 13 5.896 -1.458 -17.089 1.00 61.00 O ATOM 0 H ASP A 13 6.889 -0.504 -14.602 1.00 54.35 H new ATOM 0 HA ASP A 13 9.378 -1.468 -15.782 1.00 45.53 H new ATOM 0 HB2 ASP A 13 7.345 0.615 -16.686 1.00 4.52 H new ATOM 0 HB3 ASP A 13 8.687 0.031 -17.650 1.00 4.52 H new ATOM 208 N ASP A 14 9.254 1.373 -14.194 1.00 62.24 N ATOM 209 CA ASP A 14 10.129 2.374 -13.535 1.00 13.33 C ATOM 210 C ASP A 14 9.819 2.390 -12.036 1.00 45.32 C ATOM 211 O ASP A 14 8.692 2.681 -11.645 1.00 42.11 O ATOM 212 CB ASP A 14 9.956 3.788 -14.143 1.00 1.12 C ATOM 213 CG ASP A 14 11.057 4.795 -13.703 1.00 25.22 C ATOM 214 OD1 ASP A 14 11.131 5.142 -12.501 1.00 1.44 O ATOM 215 OD2 ASP A 14 11.825 5.273 -14.576 1.00 65.50 O ATOM 0 H ASP A 14 8.296 1.367 -13.844 1.00 62.24 H new ATOM 0 HA ASP A 14 11.168 2.088 -13.699 1.00 13.33 H new ATOM 0 HB2 ASP A 14 9.961 3.710 -15.230 1.00 1.12 H new ATOM 0 HB3 ASP A 14 8.981 4.181 -13.856 1.00 1.12 H new ATOM 220 N GLU A 15 10.827 2.067 -11.209 1.00 43.21 N ATOM 221 CA GLU A 15 10.669 1.930 -9.747 1.00 63.42 C ATOM 222 C GLU A 15 10.453 3.279 -9.031 1.00 23.12 C ATOM 223 O GLU A 15 9.775 3.332 -8.006 1.00 54.53 O ATOM 224 CB GLU A 15 11.889 1.195 -9.155 1.00 42.42 C ATOM 225 CG GLU A 15 13.219 1.970 -9.273 1.00 71.23 C ATOM 226 CD GLU A 15 14.436 1.146 -8.851 1.00 33.34 C ATOM 227 OE1 GLU A 15 14.466 0.643 -7.704 1.00 10.13 O ATOM 228 OE2 GLU A 15 15.368 0.966 -9.660 1.00 45.15 O ATOM 0 H GLU A 15 11.778 1.893 -11.534 1.00 43.21 H new ATOM 0 HA GLU A 15 9.765 1.345 -9.578 1.00 63.42 H new ATOM 0 HB2 GLU A 15 11.696 0.986 -8.103 1.00 42.42 H new ATOM 0 HB3 GLU A 15 11.997 0.233 -9.657 1.00 42.42 H new ATOM 0 HG2 GLU A 15 13.350 2.298 -10.304 1.00 71.23 H new ATOM 0 HG3 GLU A 15 13.165 2.868 -8.657 1.00 71.23 H new ATOM 235 N ASN A 16 11.030 4.363 -9.557 1.00 34.02 N ATOM 236 CA ASN A 16 10.926 5.692 -8.917 1.00 62.14 C ATOM 237 C ASN A 16 9.599 6.372 -9.258 1.00 42.43 C ATOM 238 O ASN A 16 9.034 7.074 -8.421 1.00 71.12 O ATOM 239 CB ASN A 16 12.137 6.577 -9.290 1.00 22.14 C ATOM 240 CG ASN A 16 13.391 6.231 -8.478 1.00 71.31 C ATOM 241 OD1 ASN A 16 14.164 5.353 -8.850 1.00 42.32 O ATOM 242 ND2 ASN A 16 13.599 6.927 -7.368 1.00 22.44 N ATOM 0 H ASN A 16 11.573 4.354 -10.420 1.00 34.02 H new ATOM 0 HA ASN A 16 10.943 5.549 -7.836 1.00 62.14 H new ATOM 0 HB2 ASN A 16 12.353 6.462 -10.352 1.00 22.14 H new ATOM 0 HB3 ASN A 16 11.881 7.624 -9.128 1.00 22.14 H new ATOM 0 HD21 ASN A 16 14.422 6.739 -6.795 1.00 22.44 H new ATOM 0 HD22 ASN A 16 12.936 7.650 -7.088 1.00 22.44 H new ATOM 249 N LYS A 17 9.103 6.161 -10.488 1.00 23.21 N ATOM 250 CA LYS A 17 7.758 6.610 -10.878 1.00 64.21 C ATOM 251 C LYS A 17 6.718 5.783 -10.122 1.00 73.00 C ATOM 252 O LYS A 17 5.713 6.316 -9.657 1.00 23.10 O ATOM 253 CB LYS A 17 7.542 6.475 -12.404 1.00 33.00 C ATOM 254 CG LYS A 17 8.504 7.296 -13.284 1.00 34.02 C ATOM 255 CD LYS A 17 8.478 8.805 -12.964 1.00 34.13 C ATOM 256 CE LYS A 17 9.476 9.597 -13.822 1.00 41.22 C ATOM 257 NZ LYS A 17 10.862 9.086 -13.664 1.00 10.11 N ATOM 0 H LYS A 17 9.614 5.682 -11.229 1.00 23.21 H new ATOM 0 HA LYS A 17 7.651 7.664 -10.622 1.00 64.21 H new ATOM 0 HB2 LYS A 17 7.637 5.424 -12.675 1.00 33.00 H new ATOM 0 HB3 LYS A 17 6.520 6.774 -12.637 1.00 33.00 H new ATOM 0 HG2 LYS A 17 9.518 6.920 -13.152 1.00 34.02 H new ATOM 0 HG3 LYS A 17 8.244 7.148 -14.332 1.00 34.02 H new ATOM 0 HD2 LYS A 17 7.473 9.192 -13.129 1.00 34.13 H new ATOM 0 HD3 LYS A 17 8.709 8.955 -11.909 1.00 34.13 H new ATOM 0 HE2 LYS A 17 9.183 9.537 -14.870 1.00 41.22 H new ATOM 0 HE3 LYS A 17 9.442 10.650 -13.542 1.00 41.22 H new ATOM 0 HZ1 LYS A 17 11.534 9.783 -14.044 1.00 10.11 H new ATOM 0 HZ2 LYS A 17 11.061 8.927 -12.656 1.00 10.11 H new ATOM 0 HZ3 LYS A 17 10.963 8.190 -14.182 1.00 10.11 H new ATOM 271 N ALA A 18 7.001 4.473 -9.996 1.00 64.10 N ATOM 272 CA ALA A 18 6.167 3.532 -9.233 1.00 41.42 C ATOM 273 C ALA A 18 6.004 4.003 -7.787 1.00 65.15 C ATOM 274 O ALA A 18 4.892 4.046 -7.259 1.00 60.14 O ATOM 275 CB ALA A 18 6.771 2.121 -9.270 1.00 14.24 C ATOM 0 H ALA A 18 7.819 4.038 -10.423 1.00 64.10 H new ATOM 0 HA ALA A 18 5.182 3.499 -9.698 1.00 41.42 H new ATOM 0 HB1 ALA A 18 6.139 1.440 -8.700 1.00 14.24 H new ATOM 0 HB2 ALA A 18 6.834 1.779 -10.303 1.00 14.24 H new ATOM 0 HB3 ALA A 18 7.770 2.141 -8.833 1.00 14.24 H new ATOM 281 N GLU A 19 7.143 4.376 -7.181 1.00 22.33 N ATOM 282 CA GLU A 19 7.199 4.901 -5.821 1.00 65.53 C ATOM 283 C GLU A 19 6.334 6.166 -5.698 1.00 31.04 C ATOM 284 O GLU A 19 5.471 6.237 -4.829 1.00 51.51 O ATOM 285 CB GLU A 19 8.669 5.186 -5.414 1.00 31.23 C ATOM 286 CG GLU A 19 8.806 5.898 -4.063 1.00 24.31 C ATOM 287 CD GLU A 19 10.242 6.124 -3.601 1.00 51.41 C ATOM 288 OE1 GLU A 19 10.992 6.868 -4.279 1.00 60.12 O ATOM 289 OE2 GLU A 19 10.653 5.551 -2.567 1.00 74.32 O ATOM 0 H GLU A 19 8.056 4.318 -7.632 1.00 22.33 H new ATOM 0 HA GLU A 19 6.798 4.152 -5.138 1.00 65.53 H new ATOM 0 HB2 GLU A 19 9.216 4.244 -5.375 1.00 31.23 H new ATOM 0 HB3 GLU A 19 9.139 5.796 -6.186 1.00 31.23 H new ATOM 0 HG2 GLU A 19 8.303 6.863 -4.124 1.00 24.31 H new ATOM 0 HG3 GLU A 19 8.283 5.314 -3.306 1.00 24.31 H new ATOM 296 N GLU A 20 6.571 7.138 -6.590 1.00 71.32 N ATOM 297 CA GLU A 20 5.874 8.442 -6.568 1.00 73.41 C ATOM 298 C GLU A 20 4.341 8.287 -6.615 1.00 72.52 C ATOM 299 O GLU A 20 3.617 8.955 -5.853 1.00 42.44 O ATOM 300 CB GLU A 20 6.363 9.337 -7.736 1.00 42.32 C ATOM 301 CG GLU A 20 7.793 9.877 -7.578 1.00 65.22 C ATOM 302 CD GLU A 20 7.960 10.727 -6.312 1.00 1.14 C ATOM 303 OE1 GLU A 20 7.450 11.867 -6.277 1.00 72.40 O ATOM 304 OE2 GLU A 20 8.576 10.265 -5.338 1.00 72.32 O ATOM 0 H GLU A 20 7.248 7.048 -7.347 1.00 71.32 H new ATOM 0 HA GLU A 20 6.120 8.922 -5.621 1.00 73.41 H new ATOM 0 HB2 GLU A 20 6.306 8.765 -8.662 1.00 42.32 H new ATOM 0 HB3 GLU A 20 5.680 10.180 -7.839 1.00 42.32 H new ATOM 0 HG2 GLU A 20 8.493 9.042 -7.547 1.00 65.22 H new ATOM 0 HG3 GLU A 20 8.051 10.476 -8.451 1.00 65.22 H new ATOM 311 N ILE A 21 3.868 7.403 -7.515 1.00 44.42 N ATOM 312 CA ILE A 21 2.437 7.108 -7.672 1.00 34.54 C ATOM 313 C ILE A 21 1.887 6.543 -6.356 1.00 43.13 C ATOM 314 O ILE A 21 0.918 7.069 -5.822 1.00 51.51 O ATOM 315 CB ILE A 21 2.179 6.105 -8.865 1.00 74.22 C ATOM 316 CG1 ILE A 21 2.636 6.732 -10.227 1.00 44.04 C ATOM 317 CG2 ILE A 21 0.691 5.665 -8.935 1.00 12.31 C ATOM 318 CD1 ILE A 21 2.626 5.769 -11.405 1.00 5.34 C ATOM 0 H ILE A 21 4.468 6.877 -8.150 1.00 44.42 H new ATOM 0 HA ILE A 21 1.915 8.034 -7.914 1.00 34.54 H new ATOM 0 HB ILE A 21 2.776 5.213 -8.676 1.00 74.22 H new ATOM 0 HG12 ILE A 21 1.986 7.576 -10.459 1.00 44.04 H new ATOM 0 HG13 ILE A 21 3.644 7.129 -10.108 1.00 44.04 H new ATOM 0 HG21 ILE A 21 0.554 4.976 -9.768 1.00 12.31 H new ATOM 0 HG22 ILE A 21 0.414 5.169 -8.005 1.00 12.31 H new ATOM 0 HG23 ILE A 21 0.059 6.541 -9.081 1.00 12.31 H new ATOM 0 HD11 ILE A 21 2.956 6.290 -12.304 1.00 5.34 H new ATOM 0 HD12 ILE A 21 3.299 4.936 -11.200 1.00 5.34 H new ATOM 0 HD13 ILE A 21 1.615 5.390 -11.556 1.00 5.34 H new ATOM 330 N VAL A 22 2.569 5.517 -5.813 1.00 52.33 N ATOM 331 CA VAL A 22 2.143 4.829 -4.581 1.00 64.31 C ATOM 332 C VAL A 22 2.153 5.789 -3.374 1.00 65.51 C ATOM 333 O VAL A 22 1.303 5.682 -2.510 1.00 52.05 O ATOM 334 CB VAL A 22 3.030 3.557 -4.293 1.00 42.23 C ATOM 335 CG1 VAL A 22 2.735 2.910 -2.916 1.00 75.52 C ATOM 336 CG2 VAL A 22 2.863 2.515 -5.417 1.00 20.04 C ATOM 0 H VAL A 22 3.428 5.143 -6.215 1.00 52.33 H new ATOM 0 HA VAL A 22 1.118 4.491 -4.736 1.00 64.31 H new ATOM 0 HB VAL A 22 4.064 3.901 -4.265 1.00 42.23 H new ATOM 0 HG11 VAL A 22 3.377 2.040 -2.778 1.00 75.52 H new ATOM 0 HG12 VAL A 22 2.929 3.634 -2.125 1.00 75.52 H new ATOM 0 HG13 VAL A 22 1.691 2.600 -2.876 1.00 75.52 H new ATOM 0 HG21 VAL A 22 3.482 1.644 -5.201 1.00 20.04 H new ATOM 0 HG22 VAL A 22 1.818 2.211 -5.479 1.00 20.04 H new ATOM 0 HG23 VAL A 22 3.170 2.952 -6.367 1.00 20.04 H new ATOM 346 N LYS A 23 3.094 6.750 -3.347 1.00 72.41 N ATOM 347 CA LYS A 23 3.192 7.742 -2.250 1.00 34.43 C ATOM 348 C LYS A 23 1.957 8.666 -2.240 1.00 63.44 C ATOM 349 O LYS A 23 1.391 8.954 -1.168 1.00 71.41 O ATOM 350 CB LYS A 23 4.509 8.563 -2.366 1.00 20.24 C ATOM 351 CG LYS A 23 5.797 7.748 -2.096 1.00 12.31 C ATOM 352 CD LYS A 23 7.093 8.579 -2.263 1.00 42.23 C ATOM 353 CE LYS A 23 7.252 9.674 -1.197 1.00 1.13 C ATOM 354 NZ LYS A 23 8.518 10.431 -1.368 1.00 32.40 N ATOM 0 H LYS A 23 3.801 6.864 -4.073 1.00 72.41 H new ATOM 0 HA LYS A 23 3.216 7.205 -1.302 1.00 34.43 H new ATOM 0 HB2 LYS A 23 4.568 8.992 -3.366 1.00 20.24 H new ATOM 0 HB3 LYS A 23 4.467 9.396 -1.664 1.00 20.24 H new ATOM 0 HG2 LYS A 23 5.759 7.346 -1.083 1.00 12.31 H new ATOM 0 HG3 LYS A 23 5.829 6.897 -2.776 1.00 12.31 H new ATOM 0 HD2 LYS A 23 7.953 7.911 -2.219 1.00 42.23 H new ATOM 0 HD3 LYS A 23 7.097 9.040 -3.251 1.00 42.23 H new ATOM 0 HE2 LYS A 23 6.408 10.361 -1.253 1.00 1.13 H new ATOM 0 HE3 LYS A 23 7.230 9.222 -0.205 1.00 1.13 H new ATOM 0 HZ1 LYS A 23 8.589 11.160 -0.630 1.00 32.40 H new ATOM 0 HZ2 LYS A 23 9.325 9.780 -1.290 1.00 32.40 H new ATOM 0 HZ3 LYS A 23 8.528 10.884 -2.304 1.00 32.40 H new ATOM 368 N ARG A 24 1.544 9.111 -3.448 1.00 44.54 N ATOM 369 CA ARG A 24 0.300 9.892 -3.626 1.00 42.04 C ATOM 370 C ARG A 24 -0.925 9.050 -3.221 1.00 3.44 C ATOM 371 O ARG A 24 -1.829 9.542 -2.538 1.00 22.14 O ATOM 372 CB ARG A 24 0.157 10.368 -5.098 1.00 70.01 C ATOM 373 CG ARG A 24 -1.206 11.031 -5.414 1.00 13.22 C ATOM 374 CD ARG A 24 -1.378 11.451 -6.884 1.00 3.33 C ATOM 375 NE ARG A 24 -2.783 11.809 -7.195 1.00 23.54 N ATOM 376 CZ ARG A 24 -3.366 13.001 -6.974 1.00 32.11 C ATOM 377 NH1 ARG A 24 -2.694 13.996 -6.406 1.00 2.34 N ATOM 378 NH2 ARG A 24 -4.631 13.180 -7.325 1.00 33.00 N ATOM 0 H ARG A 24 2.055 8.942 -4.315 1.00 44.54 H new ATOM 0 HA ARG A 24 0.353 10.769 -2.981 1.00 42.04 H new ATOM 0 HB2 ARG A 24 0.955 11.077 -5.319 1.00 70.01 H new ATOM 0 HB3 ARG A 24 0.297 9.514 -5.761 1.00 70.01 H new ATOM 0 HG2 ARG A 24 -2.004 10.337 -5.150 1.00 13.22 H new ATOM 0 HG3 ARG A 24 -1.325 11.910 -4.780 1.00 13.22 H new ATOM 0 HD2 ARG A 24 -0.731 12.302 -7.097 1.00 3.33 H new ATOM 0 HD3 ARG A 24 -1.058 10.637 -7.534 1.00 3.33 H new ATOM 0 HE ARG A 24 -3.362 11.083 -7.616 1.00 23.54 H new ATOM 0 HH11 ARG A 24 -1.721 13.862 -6.130 1.00 2.34 H new ATOM 0 HH12 ARG A 24 -3.151 14.894 -6.245 1.00 2.34 H new ATOM 0 HH21 ARG A 24 -5.153 12.418 -7.758 1.00 33.00 H new ATOM 0 HH22 ARG A 24 -5.083 14.080 -7.162 1.00 33.00 H new ATOM 392 N VAL A 25 -0.933 7.778 -3.660 1.00 70.13 N ATOM 393 CA VAL A 25 -2.029 6.837 -3.383 1.00 34.50 C ATOM 394 C VAL A 25 -2.206 6.626 -1.865 1.00 52.52 C ATOM 395 O VAL A 25 -3.326 6.697 -1.361 1.00 61.04 O ATOM 396 CB VAL A 25 -1.794 5.451 -4.094 1.00 74.10 C ATOM 397 CG1 VAL A 25 -2.821 4.392 -3.644 1.00 72.11 C ATOM 398 CG2 VAL A 25 -1.807 5.595 -5.634 1.00 12.44 C ATOM 0 H VAL A 25 -0.179 7.376 -4.217 1.00 70.13 H new ATOM 0 HA VAL A 25 -2.941 7.278 -3.786 1.00 34.50 H new ATOM 0 HB VAL A 25 -0.805 5.107 -3.791 1.00 74.10 H new ATOM 0 HG11 VAL A 25 -2.623 3.452 -4.158 1.00 72.11 H new ATOM 0 HG12 VAL A 25 -2.740 4.241 -2.568 1.00 72.11 H new ATOM 0 HG13 VAL A 25 -3.827 4.734 -3.888 1.00 72.11 H new ATOM 0 HG21 VAL A 25 -1.642 4.620 -6.092 1.00 12.44 H new ATOM 0 HG22 VAL A 25 -2.772 5.988 -5.955 1.00 12.44 H new ATOM 0 HG23 VAL A 25 -1.016 6.279 -5.942 1.00 12.44 H new ATOM 408 N ILE A 26 -1.079 6.390 -1.153 1.00 3.30 N ATOM 409 CA ILE A 26 -1.079 6.161 0.302 1.00 25.34 C ATOM 410 C ILE A 26 -1.647 7.385 1.017 1.00 3.01 C ATOM 411 O ILE A 26 -2.413 7.229 1.949 1.00 11.52 O ATOM 412 CB ILE A 26 0.361 5.836 0.862 1.00 60.13 C ATOM 413 CG1 ILE A 26 0.877 4.466 0.320 1.00 12.44 C ATOM 414 CG2 ILE A 26 0.402 5.848 2.417 1.00 33.31 C ATOM 415 CD1 ILE A 26 2.305 4.141 0.717 1.00 0.31 C ATOM 0 H ILE A 26 -0.150 6.354 -1.574 1.00 3.30 H new ATOM 0 HA ILE A 26 -1.705 5.290 0.493 1.00 25.34 H new ATOM 0 HB ILE A 26 1.022 6.627 0.507 1.00 60.13 H new ATOM 0 HG12 ILE A 26 0.221 3.674 0.682 1.00 12.44 H new ATOM 0 HG13 ILE A 26 0.805 4.467 -0.768 1.00 12.44 H new ATOM 0 HG21 ILE A 26 1.412 5.619 2.756 1.00 33.31 H new ATOM 0 HG22 ILE A 26 0.111 6.833 2.781 1.00 33.31 H new ATOM 0 HG23 ILE A 26 -0.289 5.100 2.805 1.00 33.31 H new ATOM 0 HD11 ILE A 26 2.587 3.174 0.301 1.00 0.31 H new ATOM 0 HD12 ILE A 26 2.974 4.911 0.332 1.00 0.31 H new ATOM 0 HD13 ILE A 26 2.381 4.105 1.804 1.00 0.31 H new ATOM 427 N ASP A 27 -1.268 8.592 0.549 1.00 44.12 N ATOM 428 CA ASP A 27 -1.805 9.866 1.083 1.00 53.31 C ATOM 429 C ASP A 27 -3.351 9.873 1.052 1.00 1.50 C ATOM 430 O ASP A 27 -4.007 10.255 2.032 1.00 12.13 O ATOM 431 CB ASP A 27 -1.243 11.066 0.275 1.00 74.23 C ATOM 432 CG ASP A 27 -1.845 12.423 0.690 1.00 22.42 C ATOM 433 OD1 ASP A 27 -1.337 13.045 1.641 1.00 43.33 O ATOM 434 OD2 ASP A 27 -2.862 12.852 0.096 1.00 2.52 O ATOM 0 H ASP A 27 -0.588 8.714 -0.202 1.00 44.12 H new ATOM 0 HA ASP A 27 -1.488 9.960 2.121 1.00 53.31 H new ATOM 0 HB2 ASP A 27 -0.161 11.104 0.401 1.00 74.23 H new ATOM 0 HB3 ASP A 27 -1.435 10.902 -0.785 1.00 74.23 H new ATOM 439 N GLU A 28 -3.902 9.433 -0.084 1.00 13.44 N ATOM 440 CA GLU A 28 -5.345 9.452 -0.339 1.00 43.32 C ATOM 441 C GLU A 28 -6.078 8.392 0.507 1.00 32.24 C ATOM 442 O GLU A 28 -7.113 8.684 1.099 1.00 41.53 O ATOM 443 CB GLU A 28 -5.598 9.273 -1.859 1.00 23.22 C ATOM 444 CG GLU A 28 -4.993 10.411 -2.715 1.00 32.04 C ATOM 445 CD GLU A 28 -5.223 10.252 -4.226 1.00 21.34 C ATOM 446 OE1 GLU A 28 -6.327 10.593 -4.703 1.00 65.20 O ATOM 447 OE2 GLU A 28 -4.307 9.802 -4.948 1.00 11.34 O ATOM 0 H GLU A 28 -3.356 9.052 -0.856 1.00 13.44 H new ATOM 0 HA GLU A 28 -5.754 10.416 -0.035 1.00 43.32 H new ATOM 0 HB2 GLU A 28 -5.176 8.321 -2.181 1.00 23.22 H new ATOM 0 HB3 GLU A 28 -6.672 9.223 -2.039 1.00 23.22 H new ATOM 0 HG2 GLU A 28 -5.420 11.360 -2.392 1.00 32.04 H new ATOM 0 HG3 GLU A 28 -3.921 10.463 -2.525 1.00 32.04 H new ATOM 454 N VAL A 29 -5.523 7.170 0.576 1.00 15.05 N ATOM 455 CA VAL A 29 -6.099 6.080 1.385 1.00 54.42 C ATOM 456 C VAL A 29 -5.977 6.405 2.895 1.00 63.13 C ATOM 457 O VAL A 29 -6.891 6.126 3.660 1.00 11.05 O ATOM 458 CB VAL A 29 -5.413 4.691 1.079 1.00 43.13 C ATOM 459 CG1 VAL A 29 -6.099 3.535 1.849 1.00 74.10 C ATOM 460 CG2 VAL A 29 -5.378 4.395 -0.439 1.00 13.42 C ATOM 0 H VAL A 29 -4.671 6.911 0.078 1.00 15.05 H new ATOM 0 HA VAL A 29 -7.152 5.999 1.115 1.00 54.42 H new ATOM 0 HB VAL A 29 -4.383 4.761 1.429 1.00 43.13 H new ATOM 0 HG11 VAL A 29 -5.600 2.595 1.614 1.00 74.10 H new ATOM 0 HG12 VAL A 29 -6.033 3.722 2.921 1.00 74.10 H new ATOM 0 HG13 VAL A 29 -7.147 3.473 1.555 1.00 74.10 H new ATOM 0 HG21 VAL A 29 -4.899 3.431 -0.611 1.00 13.42 H new ATOM 0 HG22 VAL A 29 -6.396 4.369 -0.828 1.00 13.42 H new ATOM 0 HG23 VAL A 29 -4.815 5.176 -0.949 1.00 13.42 H new ATOM 470 N GLU A 30 -4.853 7.034 3.272 1.00 42.55 N ATOM 471 CA GLU A 30 -4.504 7.360 4.671 1.00 31.13 C ATOM 472 C GLU A 30 -5.606 8.200 5.329 1.00 31.43 C ATOM 473 O GLU A 30 -6.183 7.813 6.356 1.00 44.12 O ATOM 474 CB GLU A 30 -3.162 8.144 4.689 1.00 21.11 C ATOM 475 CG GLU A 30 -2.690 8.649 6.058 1.00 63.32 C ATOM 476 CD GLU A 30 -2.403 7.531 7.070 1.00 34.30 C ATOM 477 OE1 GLU A 30 -1.291 6.965 7.039 1.00 55.22 O ATOM 478 OE2 GLU A 30 -3.280 7.216 7.907 1.00 20.25 O ATOM 0 H GLU A 30 -4.145 7.338 2.603 1.00 42.55 H new ATOM 0 HA GLU A 30 -4.402 6.433 5.235 1.00 31.13 H new ATOM 0 HB2 GLU A 30 -2.385 7.502 4.274 1.00 21.11 H new ATOM 0 HB3 GLU A 30 -3.257 9.001 4.022 1.00 21.11 H new ATOM 0 HG2 GLU A 30 -1.787 9.244 5.923 1.00 63.32 H new ATOM 0 HG3 GLU A 30 -3.450 9.313 6.471 1.00 63.32 H new ATOM 485 N ARG A 31 -5.917 9.331 4.678 1.00 2.15 N ATOM 486 CA ARG A 31 -6.898 10.310 5.179 1.00 32.51 C ATOM 487 C ARG A 31 -8.308 9.704 5.255 1.00 63.34 C ATOM 488 O ARG A 31 -9.109 10.111 6.092 1.00 34.20 O ATOM 489 CB ARG A 31 -6.858 11.590 4.300 1.00 3.31 C ATOM 490 CG ARG A 31 -7.123 11.365 2.792 1.00 13.14 C ATOM 491 CD ARG A 31 -6.922 12.634 1.938 1.00 72.53 C ATOM 492 NE ARG A 31 -5.517 13.104 1.917 1.00 61.15 N ATOM 493 CZ ARG A 31 -5.060 14.225 2.501 1.00 34.12 C ATOM 494 NH1 ARG A 31 -5.874 15.029 3.175 1.00 12.24 N ATOM 495 NH2 ARG A 31 -3.786 14.546 2.394 1.00 73.24 N ATOM 0 H ARG A 31 -5.495 9.595 3.787 1.00 2.15 H new ATOM 0 HA ARG A 31 -6.629 10.589 6.198 1.00 32.51 H new ATOM 0 HB2 ARG A 31 -7.597 12.295 4.681 1.00 3.31 H new ATOM 0 HB3 ARG A 31 -5.881 12.059 4.414 1.00 3.31 H new ATOM 0 HG2 ARG A 31 -6.459 10.582 2.427 1.00 13.14 H new ATOM 0 HG3 ARG A 31 -8.143 11.005 2.660 1.00 13.14 H new ATOM 0 HD2 ARG A 31 -7.247 12.433 0.917 1.00 72.53 H new ATOM 0 HD3 ARG A 31 -7.559 13.429 2.324 1.00 72.53 H new ATOM 0 HE ARG A 31 -4.839 12.528 1.417 1.00 61.15 H new ATOM 0 HH11 ARG A 31 -6.865 14.800 3.256 1.00 12.24 H new ATOM 0 HH12 ARG A 31 -5.509 15.875 3.611 1.00 12.24 H new ATOM 0 HH21 ARG A 31 -3.151 13.945 1.869 1.00 73.24 H new ATOM 0 HH22 ARG A 31 -3.435 15.396 2.836 1.00 73.24 H new ATOM 509 N GLU A 32 -8.581 8.703 4.393 1.00 71.34 N ATOM 510 CA GLU A 32 -9.857 7.964 4.392 1.00 42.41 C ATOM 511 C GLU A 32 -9.922 6.989 5.578 1.00 61.40 C ATOM 512 O GLU A 32 -10.938 6.911 6.259 1.00 31.42 O ATOM 513 CB GLU A 32 -10.045 7.198 3.061 1.00 15.02 C ATOM 514 CG GLU A 32 -10.186 8.099 1.820 1.00 23.45 C ATOM 515 CD GLU A 32 -10.326 7.308 0.510 1.00 32.32 C ATOM 516 OE1 GLU A 32 -11.344 6.596 0.342 1.00 24.02 O ATOM 517 OE2 GLU A 32 -9.446 7.403 -0.373 1.00 23.13 O ATOM 0 H GLU A 32 -7.924 8.386 3.680 1.00 71.34 H new ATOM 0 HA GLU A 32 -10.665 8.688 4.493 1.00 42.41 H new ATOM 0 HB2 GLU A 32 -9.194 6.532 2.916 1.00 15.02 H new ATOM 0 HB3 GLU A 32 -10.932 6.569 3.140 1.00 15.02 H new ATOM 0 HG2 GLU A 32 -11.057 8.742 1.943 1.00 23.45 H new ATOM 0 HG3 GLU A 32 -9.315 8.751 1.752 1.00 23.45 H new ATOM 524 N VAL A 33 -8.820 6.255 5.818 1.00 1.52 N ATOM 525 CA VAL A 33 -8.749 5.227 6.871 1.00 3.12 C ATOM 526 C VAL A 33 -8.847 5.856 8.271 1.00 33.13 C ATOM 527 O VAL A 33 -9.356 5.225 9.191 1.00 74.40 O ATOM 528 CB VAL A 33 -7.444 4.355 6.733 1.00 21.24 C ATOM 529 CG1 VAL A 33 -7.213 3.417 7.948 1.00 1.04 C ATOM 530 CG2 VAL A 33 -7.471 3.538 5.417 1.00 64.03 C ATOM 0 H VAL A 33 -7.955 6.358 5.288 1.00 1.52 H new ATOM 0 HA VAL A 33 -9.606 4.565 6.742 1.00 3.12 H new ATOM 0 HB VAL A 33 -6.605 5.051 6.708 1.00 21.24 H new ATOM 0 HG11 VAL A 33 -6.300 2.842 7.795 1.00 1.04 H new ATOM 0 HG12 VAL A 33 -7.119 4.013 8.855 1.00 1.04 H new ATOM 0 HG13 VAL A 33 -8.058 2.736 8.048 1.00 1.04 H new ATOM 0 HG21 VAL A 33 -6.561 2.942 5.340 1.00 64.03 H new ATOM 0 HG22 VAL A 33 -8.338 2.878 5.416 1.00 64.03 H new ATOM 0 HG23 VAL A 33 -7.532 4.218 4.568 1.00 64.03 H new ATOM 540 N GLN A 34 -8.388 7.101 8.430 1.00 2.51 N ATOM 541 CA GLN A 34 -8.520 7.819 9.720 1.00 43.34 C ATOM 542 C GLN A 34 -9.984 8.227 10.001 1.00 14.11 C ATOM 543 O GLN A 34 -10.344 8.559 11.142 1.00 10.40 O ATOM 544 CB GLN A 34 -7.586 9.046 9.744 1.00 62.12 C ATOM 545 CG GLN A 34 -6.099 8.720 9.486 1.00 74.13 C ATOM 546 CD GLN A 34 -5.536 7.617 10.394 1.00 75.42 C ATOM 547 OE1 GLN A 34 -5.034 7.888 11.482 1.00 65.11 O ATOM 548 NE2 GLN A 34 -5.567 6.372 9.929 1.00 1.02 N ATOM 0 H GLN A 34 -7.925 7.636 7.695 1.00 2.51 H new ATOM 0 HA GLN A 34 -8.221 7.138 10.517 1.00 43.34 H new ATOM 0 HB2 GLN A 34 -7.925 9.760 8.993 1.00 62.12 H new ATOM 0 HB3 GLN A 34 -7.675 9.536 10.713 1.00 62.12 H new ATOM 0 HG2 GLN A 34 -5.979 8.417 8.446 1.00 74.13 H new ATOM 0 HG3 GLN A 34 -5.509 9.626 9.624 1.00 74.13 H new ATOM 0 HE21 GLN A 34 -5.991 6.177 9.022 1.00 1.02 H new ATOM 0 HE22 GLN A 34 -5.167 5.612 10.479 1.00 1.02 H new ATOM 557 N LYS A 35 -10.819 8.206 8.951 1.00 54.33 N ATOM 558 CA LYS A 35 -12.268 8.462 9.061 1.00 21.32 C ATOM 559 C LYS A 35 -13.024 7.138 9.307 1.00 12.15 C ATOM 560 O LYS A 35 -14.017 7.107 10.037 1.00 64.41 O ATOM 561 CB LYS A 35 -12.788 9.128 7.762 1.00 22.21 C ATOM 562 CG LYS A 35 -12.032 10.401 7.341 1.00 31.24 C ATOM 563 CD LYS A 35 -12.512 10.953 5.980 1.00 52.54 C ATOM 564 CE LYS A 35 -11.636 12.102 5.464 1.00 72.00 C ATOM 565 NZ LYS A 35 -11.574 13.231 6.422 1.00 31.30 N ATOM 0 H LYS A 35 -10.510 8.011 7.999 1.00 54.33 H new ATOM 0 HA LYS A 35 -12.443 9.133 9.902 1.00 21.32 H new ATOM 0 HB2 LYS A 35 -12.730 8.403 6.950 1.00 22.21 H new ATOM 0 HB3 LYS A 35 -13.841 9.375 7.894 1.00 22.21 H new ATOM 0 HG2 LYS A 35 -12.162 11.166 8.106 1.00 31.24 H new ATOM 0 HG3 LYS A 35 -10.965 10.184 7.285 1.00 31.24 H new ATOM 0 HD2 LYS A 35 -12.515 10.147 5.247 1.00 52.54 H new ATOM 0 HD3 LYS A 35 -13.541 11.301 6.076 1.00 52.54 H new ATOM 0 HE2 LYS A 35 -10.628 11.732 5.275 1.00 72.00 H new ATOM 0 HE3 LYS A 35 -12.029 12.457 4.511 1.00 72.00 H new ATOM 0 HZ1 LYS A 35 -11.028 14.011 6.004 1.00 31.30 H new ATOM 0 HZ2 LYS A 35 -12.538 13.558 6.636 1.00 31.30 H new ATOM 0 HZ3 LYS A 35 -11.113 12.917 7.300 1.00 31.30 H new ATOM 579 N GLN A 36 -12.551 6.053 8.663 1.00 14.35 N ATOM 580 CA GLN A 36 -13.199 4.728 8.733 1.00 35.54 C ATOM 581 C GLN A 36 -12.845 4.012 10.046 1.00 60.11 C ATOM 582 O GLN A 36 -13.714 3.573 10.796 1.00 43.21 O ATOM 583 CB GLN A 36 -12.759 3.858 7.516 1.00 31.12 C ATOM 584 CG GLN A 36 -12.987 4.482 6.121 1.00 64.33 C ATOM 585 CD GLN A 36 -14.457 4.686 5.727 1.00 35.52 C ATOM 586 OE1 GLN A 36 -15.332 4.934 6.558 1.00 61.11 O ATOM 587 NE2 GLN A 36 -14.745 4.559 4.443 1.00 14.12 N ATOM 0 H GLN A 36 -11.713 6.070 8.082 1.00 14.35 H new ATOM 0 HA GLN A 36 -14.279 4.872 8.703 1.00 35.54 H new ATOM 0 HB2 GLN A 36 -11.698 3.631 7.622 1.00 31.12 H new ATOM 0 HB3 GLN A 36 -13.294 2.910 7.560 1.00 31.12 H new ATOM 0 HG2 GLN A 36 -12.481 5.447 6.085 1.00 64.33 H new ATOM 0 HG3 GLN A 36 -12.513 3.845 5.374 1.00 64.33 H new ATOM 0 HE21 GLN A 36 -14.005 4.354 3.772 1.00 14.12 H new ATOM 0 HE22 GLN A 36 -15.708 4.667 4.123 1.00 14.12 H new ATOM 596 N TYR A 37 -11.540 3.901 10.290 1.00 52.11 N ATOM 597 CA TYR A 37 -10.964 3.301 11.498 1.00 71.13 C ATOM 598 C TYR A 37 -10.139 4.391 12.225 1.00 5.32 C ATOM 599 O TYR A 37 -8.940 4.540 11.952 1.00 40.23 O ATOM 600 CB TYR A 37 -10.071 2.085 11.118 1.00 13.23 C ATOM 601 CG TYR A 37 -10.731 1.067 10.166 1.00 44.31 C ATOM 602 CD1 TYR A 37 -11.519 0.033 10.656 1.00 21.32 C ATOM 603 CD2 TYR A 37 -10.554 1.143 8.777 1.00 72.40 C ATOM 604 CE1 TYR A 37 -12.107 -0.884 9.808 1.00 62.32 C ATOM 605 CE2 TYR A 37 -11.145 0.226 7.929 1.00 24.24 C ATOM 606 CZ TYR A 37 -11.916 -0.783 8.452 1.00 32.31 C ATOM 607 OH TYR A 37 -12.499 -1.697 7.608 1.00 15.22 O ATOM 0 H TYR A 37 -10.832 4.235 9.636 1.00 52.11 H new ATOM 0 HA TYR A 37 -11.751 2.936 12.158 1.00 71.13 H new ATOM 0 HB2 TYR A 37 -9.157 2.455 10.654 1.00 13.23 H new ATOM 0 HB3 TYR A 37 -9.778 1.569 12.032 1.00 13.23 H new ATOM 0 HD1 TYR A 37 -11.675 -0.055 11.721 1.00 21.32 H new ATOM 0 HD2 TYR A 37 -9.945 1.933 8.363 1.00 72.40 H new ATOM 0 HE1 TYR A 37 -12.716 -1.680 10.211 1.00 62.32 H new ATOM 0 HE2 TYR A 37 -11.001 0.302 6.861 1.00 24.24 H new ATOM 0 HH TYR A 37 -12.689 -1.272 6.746 1.00 15.22 H new ATOM 617 N PRO A 38 -10.781 5.208 13.118 1.00 43.15 N ATOM 618 CA PRO A 38 -10.130 6.387 13.764 1.00 71.05 C ATOM 619 C PRO A 38 -8.856 6.040 14.571 1.00 54.44 C ATOM 620 O PRO A 38 -7.943 6.855 14.674 1.00 20.10 O ATOM 621 CB PRO A 38 -11.244 6.947 14.691 1.00 30.31 C ATOM 622 CG PRO A 38 -12.519 6.453 14.086 1.00 73.24 C ATOM 623 CD PRO A 38 -12.194 5.075 13.561 1.00 23.30 C ATOM 0 HA PRO A 38 -9.772 7.097 13.019 1.00 71.05 H new ATOM 0 HB2 PRO A 38 -11.126 6.590 15.714 1.00 30.31 H new ATOM 0 HB3 PRO A 38 -11.219 8.036 14.729 1.00 30.31 H new ATOM 0 HG2 PRO A 38 -13.318 6.415 14.826 1.00 73.24 H new ATOM 0 HG3 PRO A 38 -12.857 7.111 13.285 1.00 73.24 H new ATOM 0 HD2 PRO A 38 -12.305 4.313 14.333 1.00 23.30 H new ATOM 0 HD3 PRO A 38 -12.850 4.792 12.738 1.00 23.30 H new ATOM 631 N ASN A 39 -8.819 4.825 15.137 1.00 73.24 N ATOM 632 CA ASN A 39 -7.722 4.372 16.018 1.00 53.11 C ATOM 633 C ASN A 39 -6.625 3.620 15.242 1.00 24.31 C ATOM 634 O ASN A 39 -5.599 3.261 15.828 1.00 22.42 O ATOM 635 CB ASN A 39 -8.295 3.486 17.152 1.00 25.40 C ATOM 636 CG ASN A 39 -9.282 4.251 18.048 1.00 1.12 C ATOM 637 OD1 ASN A 39 -10.486 4.269 17.791 1.00 63.43 O ATOM 638 ND2 ASN A 39 -8.774 4.896 19.087 1.00 32.33 N ATOM 0 H ASN A 39 -9.548 4.125 14.999 1.00 73.24 H new ATOM 0 HA ASN A 39 -7.253 5.256 16.450 1.00 53.11 H new ATOM 0 HB2 ASN A 39 -8.798 2.622 16.716 1.00 25.40 H new ATOM 0 HB3 ASN A 39 -7.476 3.104 17.761 1.00 25.40 H new ATOM 0 HD21 ASN A 39 -9.386 5.430 19.705 1.00 32.33 H new ATOM 0 HD22 ASN A 39 -7.771 4.859 19.270 1.00 32.33 H new ATOM 645 N ALA A 40 -6.829 3.396 13.932 1.00 14.25 N ATOM 646 CA ALA A 40 -5.858 2.671 13.092 1.00 34.32 C ATOM 647 C ALA A 40 -4.646 3.561 12.774 1.00 32.03 C ATOM 648 O ALA A 40 -4.801 4.723 12.376 1.00 41.14 O ATOM 649 CB ALA A 40 -6.518 2.185 11.800 1.00 3.21 C ATOM 0 H ALA A 40 -7.661 3.708 13.430 1.00 14.25 H new ATOM 0 HA ALA A 40 -5.510 1.801 13.648 1.00 34.32 H new ATOM 0 HB1 ALA A 40 -5.784 1.653 11.195 1.00 3.21 H new ATOM 0 HB2 ALA A 40 -7.343 1.515 12.043 1.00 3.21 H new ATOM 0 HB3 ALA A 40 -6.897 3.040 11.241 1.00 3.21 H new ATOM 655 N THR A 41 -3.440 3.009 12.967 1.00 14.31 N ATOM 656 CA THR A 41 -2.185 3.698 12.653 1.00 34.02 C ATOM 657 C THR A 41 -1.510 2.987 11.477 1.00 54.54 C ATOM 658 O THR A 41 -1.094 1.839 11.607 1.00 62.31 O ATOM 659 CB THR A 41 -1.224 3.683 13.889 1.00 32.50 C ATOM 660 OG1 THR A 41 -1.924 4.138 15.058 1.00 20.41 O ATOM 661 CG2 THR A 41 0.024 4.559 13.671 1.00 73.13 C ATOM 0 H THR A 41 -3.309 2.071 13.346 1.00 14.31 H new ATOM 0 HA THR A 41 -2.403 4.734 12.394 1.00 34.02 H new ATOM 0 HB THR A 41 -0.890 2.654 14.024 1.00 32.50 H new ATOM 0 HG1 THR A 41 -1.318 4.125 15.828 1.00 20.41 H new ATOM 0 HG21 THR A 41 0.658 4.515 14.556 1.00 73.13 H new ATOM 0 HG22 THR A 41 0.580 4.192 12.808 1.00 73.13 H new ATOM 0 HG23 THR A 41 -0.282 5.590 13.494 1.00 73.13 H new ATOM 669 N ILE A 42 -1.425 3.663 10.335 1.00 52.31 N ATOM 670 CA ILE A 42 -0.677 3.168 9.174 1.00 11.24 C ATOM 671 C ILE A 42 0.759 3.727 9.246 1.00 72.13 C ATOM 672 O ILE A 42 0.953 4.901 9.586 1.00 72.13 O ATOM 673 CB ILE A 42 -1.356 3.609 7.820 1.00 31.25 C ATOM 674 CG1 ILE A 42 -2.873 3.220 7.799 1.00 2.54 C ATOM 675 CG2 ILE A 42 -0.612 3.011 6.590 1.00 65.11 C ATOM 676 CD1 ILE A 42 -3.633 3.720 6.582 1.00 20.03 C ATOM 0 H ILE A 42 -1.870 4.568 10.184 1.00 52.31 H new ATOM 0 HA ILE A 42 -0.667 2.078 9.197 1.00 11.24 H new ATOM 0 HB ILE A 42 -1.284 4.695 7.755 1.00 31.25 H new ATOM 0 HG12 ILE A 42 -2.958 2.134 7.844 1.00 2.54 H new ATOM 0 HG13 ILE A 42 -3.349 3.614 8.697 1.00 2.54 H new ATOM 0 HG21 ILE A 42 -1.106 3.334 5.674 1.00 65.11 H new ATOM 0 HG22 ILE A 42 0.422 3.357 6.587 1.00 65.11 H new ATOM 0 HG23 ILE A 42 -0.631 1.923 6.647 1.00 65.11 H new ATOM 0 HD11 ILE A 42 -4.675 3.406 6.649 1.00 20.03 H new ATOM 0 HD12 ILE A 42 -3.584 4.808 6.544 1.00 20.03 H new ATOM 0 HD13 ILE A 42 -3.186 3.305 5.678 1.00 20.03 H new ATOM 688 N THR A 43 1.750 2.885 8.958 1.00 3.14 N ATOM 689 CA THR A 43 3.146 3.295 8.821 1.00 2.41 C ATOM 690 C THR A 43 3.580 2.991 7.379 1.00 73.11 C ATOM 691 O THR A 43 3.550 1.828 6.950 1.00 72.13 O ATOM 692 CB THR A 43 4.056 2.557 9.860 1.00 71.54 C ATOM 693 OG1 THR A 43 3.545 2.761 11.193 1.00 65.13 O ATOM 694 CG2 THR A 43 5.520 3.026 9.797 1.00 62.11 C ATOM 0 H THR A 43 1.604 1.886 8.811 1.00 3.14 H new ATOM 0 HA THR A 43 3.249 4.361 9.025 1.00 2.41 H new ATOM 0 HB THR A 43 4.037 1.497 9.606 1.00 71.54 H new ATOM 0 HG1 THR A 43 4.118 2.295 11.838 1.00 65.13 H new ATOM 0 HG21 THR A 43 6.108 2.483 10.537 1.00 62.11 H new ATOM 0 HG22 THR A 43 5.921 2.833 8.802 1.00 62.11 H new ATOM 0 HG23 THR A 43 5.569 4.094 10.007 1.00 62.11 H new ATOM 702 N ARG A 44 3.933 4.048 6.636 1.00 31.04 N ATOM 703 CA ARG A 44 4.287 3.965 5.211 1.00 24.54 C ATOM 704 C ARG A 44 5.814 4.022 5.055 1.00 41.44 C ATOM 705 O ARG A 44 6.466 4.942 5.563 1.00 34.14 O ATOM 706 CB ARG A 44 3.599 5.130 4.435 1.00 62.33 C ATOM 707 CG ARG A 44 3.917 6.553 4.979 1.00 35.43 C ATOM 708 CD ARG A 44 3.179 7.681 4.239 1.00 50.34 C ATOM 709 NE ARG A 44 3.582 7.772 2.826 1.00 31.24 N ATOM 710 CZ ARG A 44 3.642 8.898 2.104 1.00 61.11 C ATOM 711 NH1 ARG A 44 3.330 10.077 2.637 1.00 50.32 N ATOM 712 NH2 ARG A 44 4.036 8.829 0.848 1.00 73.35 N ATOM 0 H ARG A 44 3.982 4.996 7.010 1.00 31.04 H new ATOM 0 HA ARG A 44 3.936 3.020 4.795 1.00 24.54 H new ATOM 0 HB2 ARG A 44 3.902 5.080 3.389 1.00 62.33 H new ATOM 0 HB3 ARG A 44 2.520 4.979 4.462 1.00 62.33 H new ATOM 0 HG2 ARG A 44 3.656 6.594 6.037 1.00 35.43 H new ATOM 0 HG3 ARG A 44 4.991 6.727 4.909 1.00 35.43 H new ATOM 0 HD2 ARG A 44 2.104 7.511 4.299 1.00 50.34 H new ATOM 0 HD3 ARG A 44 3.379 8.631 4.735 1.00 50.34 H new ATOM 0 HE ARG A 44 3.837 6.903 2.357 1.00 31.24 H new ATOM 0 HH11 ARG A 44 3.039 10.134 3.613 1.00 50.32 H new ATOM 0 HH12 ARG A 44 3.382 10.923 2.070 1.00 50.32 H new ATOM 0 HH21 ARG A 44 4.289 7.928 0.442 1.00 73.35 H new ATOM 0 HH22 ARG A 44 4.088 9.676 0.283 1.00 73.35 H new ATOM 726 N THR A 45 6.380 3.004 4.401 1.00 51.43 N ATOM 727 CA THR A 45 7.813 2.945 4.111 1.00 21.42 C ATOM 728 C THR A 45 8.025 2.250 2.760 1.00 32.32 C ATOM 729 O THR A 45 7.813 1.048 2.641 1.00 52.44 O ATOM 730 CB THR A 45 8.579 2.176 5.251 1.00 73.25 C ATOM 731 OG1 THR A 45 8.316 2.788 6.533 1.00 53.11 O ATOM 732 CG2 THR A 45 10.105 2.144 5.013 1.00 42.24 C ATOM 0 H THR A 45 5.857 2.198 4.058 1.00 51.43 H new ATOM 0 HA THR A 45 8.212 3.958 4.064 1.00 21.42 H new ATOM 0 HB THR A 45 8.212 1.150 5.241 1.00 73.25 H new ATOM 0 HG1 THR A 45 8.797 2.300 7.233 1.00 53.11 H new ATOM 0 HG21 THR A 45 10.589 1.603 5.826 1.00 42.24 H new ATOM 0 HG22 THR A 45 10.315 1.643 4.068 1.00 42.24 H new ATOM 0 HG23 THR A 45 10.489 3.163 4.977 1.00 42.24 H new ATOM 740 N LEU A 46 8.409 3.019 1.742 1.00 73.04 N ATOM 741 CA LEU A 46 8.778 2.477 0.424 1.00 65.24 C ATOM 742 C LEU A 46 10.303 2.355 0.348 1.00 14.40 C ATOM 743 O LEU A 46 11.027 3.067 1.059 1.00 35.04 O ATOM 744 CB LEU A 46 8.236 3.357 -0.744 1.00 70.41 C ATOM 745 CG LEU A 46 6.682 3.367 -0.938 1.00 53.20 C ATOM 746 CD1 LEU A 46 5.957 4.190 0.146 1.00 14.13 C ATOM 747 CD2 LEU A 46 6.288 3.842 -2.349 1.00 14.32 C ATOM 0 H LEU A 46 8.475 4.035 1.802 1.00 73.04 H new ATOM 0 HA LEU A 46 8.320 1.494 0.312 1.00 65.24 H new ATOM 0 HB2 LEU A 46 8.568 4.383 -0.583 1.00 70.41 H new ATOM 0 HB3 LEU A 46 8.695 3.016 -1.672 1.00 70.41 H new ATOM 0 HG LEU A 46 6.353 2.334 -0.828 1.00 53.20 H new ATOM 0 HD11 LEU A 46 4.883 4.164 -0.035 1.00 14.13 H new ATOM 0 HD12 LEU A 46 6.170 3.766 1.128 1.00 14.13 H new ATOM 0 HD13 LEU A 46 6.306 5.222 0.113 1.00 14.13 H new ATOM 0 HD21 LEU A 46 5.202 3.835 -2.445 1.00 14.32 H new ATOM 0 HD22 LEU A 46 6.660 4.854 -2.509 1.00 14.32 H new ATOM 0 HD23 LEU A 46 6.722 3.173 -3.092 1.00 14.32 H new ATOM 759 N THR A 47 10.781 1.411 -0.457 1.00 2.10 N ATOM 760 CA THR A 47 12.214 1.207 -0.687 1.00 23.13 C ATOM 761 C THR A 47 12.456 0.852 -2.154 1.00 22.51 C ATOM 762 O THR A 47 11.706 0.072 -2.727 1.00 40.24 O ATOM 763 CB THR A 47 12.759 0.084 0.266 1.00 63.41 C ATOM 764 OG1 THR A 47 12.539 0.469 1.634 1.00 73.01 O ATOM 765 CG2 THR A 47 14.263 -0.196 0.065 1.00 31.51 C ATOM 0 H THR A 47 10.186 0.762 -0.972 1.00 2.10 H new ATOM 0 HA THR A 47 12.752 2.128 -0.464 1.00 23.13 H new ATOM 0 HB THR A 47 12.218 -0.830 0.022 1.00 63.41 H new ATOM 0 HG1 THR A 47 12.877 -0.232 2.230 1.00 73.01 H new ATOM 0 HG21 THR A 47 14.582 -0.981 0.751 1.00 31.51 H new ATOM 0 HG22 THR A 47 14.439 -0.518 -0.961 1.00 31.51 H new ATOM 0 HG23 THR A 47 14.832 0.712 0.263 1.00 31.51 H new ATOM 773 N ARG A 48 13.490 1.450 -2.767 1.00 11.05 N ATOM 774 CA ARG A 48 13.914 1.065 -4.114 1.00 64.42 C ATOM 775 C ARG A 48 14.866 -0.136 -3.991 1.00 2.30 C ATOM 776 O ARG A 48 16.019 0.009 -3.577 1.00 62.24 O ATOM 777 CB ARG A 48 14.592 2.235 -4.874 1.00 25.04 C ATOM 778 CG ARG A 48 13.646 3.385 -5.289 1.00 53.10 C ATOM 779 CD ARG A 48 13.282 4.316 -4.132 1.00 21.31 C ATOM 780 NE ARG A 48 14.476 4.926 -3.512 1.00 33.30 N ATOM 781 CZ ARG A 48 14.483 6.015 -2.726 1.00 5.34 C ATOM 782 NH1 ARG A 48 13.360 6.662 -2.429 1.00 74.53 N ATOM 783 NH2 ARG A 48 15.637 6.446 -2.231 1.00 64.44 N ATOM 0 H ARG A 48 14.043 2.199 -2.350 1.00 11.05 H new ATOM 0 HA ARG A 48 13.035 0.794 -4.699 1.00 64.42 H new ATOM 0 HB2 ARG A 48 15.383 2.645 -4.246 1.00 25.04 H new ATOM 0 HB3 ARG A 48 15.070 1.837 -5.770 1.00 25.04 H new ATOM 0 HG2 ARG A 48 14.119 3.967 -6.080 1.00 53.10 H new ATOM 0 HG3 ARG A 48 12.733 2.962 -5.707 1.00 53.10 H new ATOM 0 HD2 ARG A 48 12.621 5.103 -4.495 1.00 21.31 H new ATOM 0 HD3 ARG A 48 12.728 3.757 -3.378 1.00 21.31 H new ATOM 0 HE ARG A 48 15.375 4.481 -3.697 1.00 33.30 H new ATOM 0 HH11 ARG A 48 12.469 6.333 -2.800 1.00 74.53 H new ATOM 0 HH12 ARG A 48 13.390 7.487 -1.830 1.00 74.53 H new ATOM 0 HH21 ARG A 48 16.502 5.951 -2.449 1.00 64.44 H new ATOM 0 HH22 ARG A 48 15.659 7.272 -1.632 1.00 64.44 H new ATOM 797 N ASP A 49 14.339 -1.321 -4.318 1.00 65.45 N ATOM 798 CA ASP A 49 15.028 -2.620 -4.161 1.00 73.24 C ATOM 799 C ASP A 49 15.617 -3.054 -5.531 1.00 1.43 C ATOM 800 O ASP A 49 15.717 -4.244 -5.848 1.00 61.55 O ATOM 801 CB ASP A 49 13.988 -3.647 -3.601 1.00 23.54 C ATOM 802 CG ASP A 49 14.547 -5.050 -3.296 1.00 22.35 C ATOM 803 OD1 ASP A 49 15.377 -5.189 -2.376 1.00 11.32 O ATOM 804 OD2 ASP A 49 14.152 -6.026 -3.976 1.00 73.25 O ATOM 0 H ASP A 49 13.401 -1.413 -4.708 1.00 65.45 H new ATOM 0 HA ASP A 49 15.861 -2.557 -3.461 1.00 73.24 H new ATOM 0 HB2 ASP A 49 13.556 -3.240 -2.687 1.00 23.54 H new ATOM 0 HB3 ASP A 49 13.176 -3.746 -4.321 1.00 23.54 H new ATOM 809 N ASP A 50 16.020 -2.040 -6.329 1.00 35.23 N ATOM 810 CA ASP A 50 16.603 -2.204 -7.674 1.00 2.33 C ATOM 811 C ASP A 50 15.607 -2.887 -8.635 1.00 43.43 C ATOM 812 O ASP A 50 15.514 -4.118 -8.697 1.00 62.40 O ATOM 813 CB ASP A 50 17.968 -2.942 -7.610 1.00 70.55 C ATOM 814 CG ASP A 50 18.613 -3.163 -8.989 1.00 44.33 C ATOM 815 OD1 ASP A 50 19.084 -2.182 -9.608 1.00 2.33 O ATOM 816 OD2 ASP A 50 18.647 -4.321 -9.465 1.00 22.21 O ATOM 0 H ASP A 50 15.946 -1.063 -6.046 1.00 35.23 H new ATOM 0 HA ASP A 50 16.802 -1.212 -8.080 1.00 2.33 H new ATOM 0 HB2 ASP A 50 18.653 -2.368 -6.985 1.00 70.55 H new ATOM 0 HB3 ASP A 50 17.827 -3.908 -7.125 1.00 70.55 H new ATOM 821 N GLY A 51 14.828 -2.057 -9.337 1.00 3.02 N ATOM 822 CA GLY A 51 13.791 -2.521 -10.265 1.00 33.41 C ATOM 823 C GLY A 51 12.428 -2.672 -9.592 1.00 34.14 C ATOM 824 O GLY A 51 11.397 -2.219 -10.121 1.00 13.25 O ATOM 0 H GLY A 51 14.899 -1.041 -9.277 1.00 3.02 H new ATOM 0 HA2 GLY A 51 13.708 -1.817 -11.093 1.00 33.41 H new ATOM 0 HA3 GLY A 51 14.091 -3.479 -10.690 1.00 33.41 H new ATOM 828 N THR A 52 12.440 -3.318 -8.421 1.00 71.20 N ATOM 829 CA THR A 52 11.249 -3.580 -7.609 1.00 12.53 C ATOM 830 C THR A 52 11.164 -2.561 -6.465 1.00 30.41 C ATOM 831 O THR A 52 12.167 -2.268 -5.835 1.00 30.43 O ATOM 832 CB THR A 52 11.316 -5.035 -7.039 1.00 60.52 C ATOM 833 OG1 THR A 52 11.484 -5.961 -8.119 1.00 24.20 O ATOM 834 CG2 THR A 52 10.052 -5.414 -6.255 1.00 52.23 C ATOM 0 H THR A 52 13.297 -3.681 -8.003 1.00 71.20 H new ATOM 0 HA THR A 52 10.357 -3.483 -8.228 1.00 12.53 H new ATOM 0 HB THR A 52 12.162 -5.077 -6.353 1.00 60.52 H new ATOM 0 HG1 THR A 52 11.528 -6.873 -7.764 1.00 24.20 H new ATOM 0 HG21 THR A 52 10.148 -6.433 -5.880 1.00 52.23 H new ATOM 0 HG22 THR A 52 9.925 -4.729 -5.416 1.00 52.23 H new ATOM 0 HG23 THR A 52 9.184 -5.349 -6.911 1.00 52.23 H new ATOM 842 N VAL A 53 9.976 -1.993 -6.238 1.00 44.33 N ATOM 843 CA VAL A 53 9.692 -1.182 -5.046 1.00 22.52 C ATOM 844 C VAL A 53 9.205 -2.118 -3.945 1.00 40.21 C ATOM 845 O VAL A 53 8.309 -2.916 -4.182 1.00 63.22 O ATOM 846 CB VAL A 53 8.582 -0.095 -5.308 1.00 33.23 C ATOM 847 CG1 VAL A 53 8.390 0.845 -4.085 1.00 5.42 C ATOM 848 CG2 VAL A 53 8.895 0.708 -6.577 1.00 64.40 C ATOM 0 H VAL A 53 9.183 -2.081 -6.874 1.00 44.33 H new ATOM 0 HA VAL A 53 10.606 -0.659 -4.765 1.00 22.52 H new ATOM 0 HB VAL A 53 7.639 -0.621 -5.459 1.00 33.23 H new ATOM 0 HG11 VAL A 53 7.616 1.579 -4.308 1.00 5.42 H new ATOM 0 HG12 VAL A 53 8.093 0.257 -3.217 1.00 5.42 H new ATOM 0 HG13 VAL A 53 9.327 1.359 -3.871 1.00 5.42 H new ATOM 0 HG21 VAL A 53 8.115 1.452 -6.738 1.00 64.40 H new ATOM 0 HG22 VAL A 53 9.857 1.208 -6.463 1.00 64.40 H new ATOM 0 HG23 VAL A 53 8.936 0.034 -7.433 1.00 64.40 H new ATOM 858 N GLU A 54 9.798 -2.049 -2.753 1.00 32.04 N ATOM 859 CA GLU A 54 9.300 -2.783 -1.591 1.00 41.52 C ATOM 860 C GLU A 54 8.459 -1.814 -0.753 1.00 1.13 C ATOM 861 O GLU A 54 8.989 -0.906 -0.097 1.00 5.11 O ATOM 862 CB GLU A 54 10.456 -3.397 -0.763 1.00 1.40 C ATOM 863 CG GLU A 54 9.969 -4.328 0.371 1.00 2.50 C ATOM 864 CD GLU A 54 11.101 -5.083 1.085 1.00 31.31 C ATOM 865 OE1 GLU A 54 11.846 -5.826 0.403 1.00 14.20 O ATOM 866 OE2 GLU A 54 11.242 -4.958 2.327 1.00 74.41 O ATOM 0 H GLU A 54 10.629 -1.488 -2.567 1.00 32.04 H new ATOM 0 HA GLU A 54 8.687 -3.623 -1.917 1.00 41.52 H new ATOM 0 HB2 GLU A 54 11.112 -3.959 -1.428 1.00 1.40 H new ATOM 0 HB3 GLU A 54 11.052 -2.593 -0.332 1.00 1.40 H new ATOM 0 HG2 GLU A 54 9.421 -3.736 1.104 1.00 2.50 H new ATOM 0 HG3 GLU A 54 9.267 -5.052 -0.043 1.00 2.50 H new ATOM 873 N LEU A 55 7.137 -1.990 -0.832 1.00 21.33 N ATOM 874 CA LEU A 55 6.165 -1.199 -0.086 1.00 44.34 C ATOM 875 C LEU A 55 5.859 -1.910 1.237 1.00 33.20 C ATOM 876 O LEU A 55 5.401 -3.050 1.256 1.00 34.40 O ATOM 877 CB LEU A 55 4.872 -1.015 -0.927 1.00 62.13 C ATOM 878 CG LEU A 55 3.673 -0.359 -0.181 1.00 1.32 C ATOM 879 CD1 LEU A 55 4.033 1.039 0.355 1.00 52.24 C ATOM 880 CD2 LEU A 55 2.405 -0.324 -1.058 1.00 62.02 C ATOM 0 H LEU A 55 6.709 -2.699 -1.427 1.00 21.33 H new ATOM 0 HA LEU A 55 6.572 -0.210 0.125 1.00 44.34 H new ATOM 0 HB2 LEU A 55 5.111 -0.407 -1.799 1.00 62.13 H new ATOM 0 HB3 LEU A 55 4.557 -1.991 -1.295 1.00 62.13 H new ATOM 0 HG LEU A 55 3.449 -0.987 0.682 1.00 1.32 H new ATOM 0 HD11 LEU A 55 3.171 1.465 0.869 1.00 52.24 H new ATOM 0 HD12 LEU A 55 4.868 0.958 1.051 1.00 52.24 H new ATOM 0 HD13 LEU A 55 4.315 1.686 -0.476 1.00 52.24 H new ATOM 0 HD21 LEU A 55 1.591 0.141 -0.502 1.00 62.02 H new ATOM 0 HD22 LEU A 55 2.603 0.253 -1.961 1.00 62.02 H new ATOM 0 HD23 LEU A 55 2.123 -1.341 -1.331 1.00 62.02 H new ATOM 892 N ARG A 56 6.124 -1.215 2.336 1.00 12.42 N ATOM 893 CA ARG A 56 5.903 -1.722 3.688 1.00 1.52 C ATOM 894 C ARG A 56 4.703 -0.981 4.283 1.00 52.22 C ATOM 895 O ARG A 56 4.797 0.207 4.628 1.00 33.40 O ATOM 896 CB ARG A 56 7.183 -1.507 4.547 1.00 3.32 C ATOM 897 CG ARG A 56 8.458 -2.162 3.965 1.00 24.10 C ATOM 898 CD ARG A 56 8.399 -3.698 3.962 1.00 3.34 C ATOM 899 NE ARG A 56 8.361 -4.238 5.334 1.00 71.31 N ATOM 900 CZ ARG A 56 9.145 -5.222 5.800 1.00 1.42 C ATOM 901 NH1 ARG A 56 10.054 -5.805 5.021 1.00 41.24 N ATOM 902 NH2 ARG A 56 9.037 -5.596 7.063 1.00 2.40 N ATOM 0 H ARG A 56 6.504 -0.269 2.315 1.00 12.42 H new ATOM 0 HA ARG A 56 5.694 -2.792 3.671 1.00 1.52 H new ATOM 0 HB2 ARG A 56 7.357 -0.437 4.657 1.00 3.32 H new ATOM 0 HB3 ARG A 56 7.007 -1.906 5.546 1.00 3.32 H new ATOM 0 HG2 ARG A 56 8.608 -1.808 2.945 1.00 24.10 H new ATOM 0 HG3 ARG A 56 9.322 -1.839 4.545 1.00 24.10 H new ATOM 0 HD2 ARG A 56 7.516 -4.029 3.415 1.00 3.34 H new ATOM 0 HD3 ARG A 56 9.267 -4.096 3.437 1.00 3.34 H new ATOM 0 HE ARG A 56 7.685 -3.831 5.980 1.00 71.31 H new ATOM 0 HH11 ARG A 56 10.163 -5.505 4.052 1.00 41.24 H new ATOM 0 HH12 ARG A 56 10.641 -6.552 5.393 1.00 41.24 H new ATOM 0 HH21 ARG A 56 8.362 -5.137 7.675 1.00 2.40 H new ATOM 0 HH22 ARG A 56 9.629 -6.343 7.426 1.00 2.40 H new ATOM 916 N ILE A 57 3.557 -1.666 4.326 1.00 44.45 N ATOM 917 CA ILE A 57 2.343 -1.143 4.956 1.00 2.14 C ATOM 918 C ILE A 57 2.187 -1.822 6.313 1.00 73.12 C ATOM 919 O ILE A 57 1.930 -3.024 6.395 1.00 54.14 O ATOM 920 CB ILE A 57 1.085 -1.384 4.049 1.00 62.34 C ATOM 921 CG1 ILE A 57 1.180 -0.556 2.732 1.00 60.31 C ATOM 922 CG2 ILE A 57 -0.233 -1.090 4.791 1.00 0.41 C ATOM 923 CD1 ILE A 57 1.234 0.964 2.915 1.00 23.34 C ATOM 0 H ILE A 57 3.445 -2.597 3.925 1.00 44.45 H new ATOM 0 HA ILE A 57 2.427 -0.065 5.090 1.00 2.14 H new ATOM 0 HB ILE A 57 1.076 -2.443 3.790 1.00 62.34 H new ATOM 0 HG12 ILE A 57 2.070 -0.871 2.188 1.00 60.31 H new ATOM 0 HG13 ILE A 57 0.321 -0.800 2.107 1.00 60.31 H new ATOM 0 HG21 ILE A 57 -1.075 -1.271 4.123 1.00 0.41 H new ATOM 0 HG22 ILE A 57 -0.314 -1.741 5.661 1.00 0.41 H new ATOM 0 HG23 ILE A 57 -0.244 -0.049 5.115 1.00 0.41 H new ATOM 0 HD11 ILE A 57 1.299 1.446 1.939 1.00 23.34 H new ATOM 0 HD12 ILE A 57 0.333 1.301 3.427 1.00 23.34 H new ATOM 0 HD13 ILE A 57 2.109 1.228 3.509 1.00 23.34 H new ATOM 935 N LYS A 58 2.371 -1.045 7.372 1.00 41.43 N ATOM 936 CA LYS A 58 2.328 -1.542 8.744 1.00 73.42 C ATOM 937 C LYS A 58 1.134 -0.899 9.461 1.00 5.03 C ATOM 938 O LYS A 58 1.184 0.265 9.856 1.00 22.22 O ATOM 939 CB LYS A 58 3.690 -1.218 9.409 1.00 33.32 C ATOM 940 CG LYS A 58 3.821 -1.583 10.898 1.00 3.41 C ATOM 941 CD LYS A 58 5.236 -1.285 11.456 1.00 35.04 C ATOM 942 CE LYS A 58 5.409 -1.763 12.906 1.00 73.32 C ATOM 943 NZ LYS A 58 6.759 -1.461 13.434 1.00 63.22 N ATOM 0 H LYS A 58 2.556 -0.044 7.304 1.00 41.43 H new ATOM 0 HA LYS A 58 2.183 -2.621 8.792 1.00 73.42 H new ATOM 0 HB2 LYS A 58 4.473 -1.739 8.858 1.00 33.32 H new ATOM 0 HB3 LYS A 58 3.880 -0.150 9.300 1.00 33.32 H new ATOM 0 HG2 LYS A 58 3.082 -1.025 11.473 1.00 3.41 H new ATOM 0 HG3 LYS A 58 3.596 -2.641 11.031 1.00 3.41 H new ATOM 0 HD2 LYS A 58 5.981 -1.770 10.826 1.00 35.04 H new ATOM 0 HD3 LYS A 58 5.425 -0.213 11.405 1.00 35.04 H new ATOM 0 HE2 LYS A 58 4.658 -1.286 13.537 1.00 73.32 H new ATOM 0 HE3 LYS A 58 5.232 -2.837 12.957 1.00 73.32 H new ATOM 0 HZ1 LYS A 58 6.832 -1.800 14.414 1.00 63.22 H new ATOM 0 HZ2 LYS A 58 7.475 -1.937 12.849 1.00 63.22 H new ATOM 0 HZ3 LYS A 58 6.919 -0.434 13.410 1.00 63.22 H new ATOM 957 N VAL A 59 0.044 -1.669 9.595 1.00 5.33 N ATOM 958 CA VAL A 59 -1.224 -1.186 10.155 1.00 55.15 C ATOM 959 C VAL A 59 -1.430 -1.743 11.568 1.00 2.53 C ATOM 960 O VAL A 59 -1.639 -2.947 11.750 1.00 15.30 O ATOM 961 CB VAL A 59 -2.451 -1.580 9.244 1.00 72.51 C ATOM 962 CG1 VAL A 59 -3.782 -1.070 9.847 1.00 3.04 C ATOM 963 CG2 VAL A 59 -2.260 -1.061 7.797 1.00 0.44 C ATOM 0 H VAL A 59 0.019 -2.650 9.316 1.00 5.33 H new ATOM 0 HA VAL A 59 -1.169 -0.098 10.198 1.00 55.15 H new ATOM 0 HB VAL A 59 -2.500 -2.668 9.205 1.00 72.51 H new ATOM 0 HG11 VAL A 59 -4.609 -1.356 9.197 1.00 3.04 H new ATOM 0 HG12 VAL A 59 -3.926 -1.510 10.834 1.00 3.04 H new ATOM 0 HG13 VAL A 59 -3.749 0.016 9.935 1.00 3.04 H new ATOM 0 HG21 VAL A 59 -3.120 -1.347 7.191 1.00 0.44 H new ATOM 0 HG22 VAL A 59 -2.169 0.025 7.809 1.00 0.44 H new ATOM 0 HG23 VAL A 59 -1.356 -1.496 7.371 1.00 0.44 H new ATOM 973 N LYS A 60 -1.353 -0.859 12.558 1.00 32.25 N ATOM 974 CA LYS A 60 -1.702 -1.164 13.941 1.00 22.44 C ATOM 975 C LYS A 60 -3.219 -0.964 14.111 1.00 0.22 C ATOM 976 O LYS A 60 -3.723 0.152 13.944 1.00 22.44 O ATOM 977 CB LYS A 60 -0.897 -0.252 14.905 1.00 51.21 C ATOM 978 CG LYS A 60 -1.119 -0.544 16.407 1.00 34.41 C ATOM 979 CD LYS A 60 -0.244 0.341 17.326 1.00 32.33 C ATOM 980 CE LYS A 60 -0.554 1.836 17.188 1.00 22.41 C ATOM 981 NZ LYS A 60 0.391 2.665 17.967 1.00 41.30 N ATOM 0 H LYS A 60 -1.042 0.103 12.420 1.00 32.25 H new ATOM 0 HA LYS A 60 -1.449 -2.196 14.182 1.00 22.44 H new ATOM 0 HB2 LYS A 60 0.165 -0.357 14.681 1.00 51.21 H new ATOM 0 HB3 LYS A 60 -1.163 0.787 14.708 1.00 51.21 H new ATOM 0 HG2 LYS A 60 -2.169 -0.386 16.652 1.00 34.41 H new ATOM 0 HG3 LYS A 60 -0.900 -1.593 16.605 1.00 34.41 H new ATOM 0 HD2 LYS A 60 -0.394 0.039 18.362 1.00 32.33 H new ATOM 0 HD3 LYS A 60 0.807 0.170 17.093 1.00 32.33 H new ATOM 0 HE2 LYS A 60 -0.508 2.122 16.137 1.00 22.41 H new ATOM 0 HE3 LYS A 60 -1.572 2.029 17.526 1.00 22.41 H new ATOM 0 HZ1 LYS A 60 0.150 3.670 17.849 1.00 41.30 H new ATOM 0 HZ2 LYS A 60 0.329 2.410 18.973 1.00 41.30 H new ATOM 0 HZ3 LYS A 60 1.360 2.499 17.627 1.00 41.30 H new ATOM 995 N ALA A 61 -3.935 -2.056 14.417 1.00 44.51 N ATOM 996 CA ALA A 61 -5.395 -2.056 14.612 1.00 62.53 C ATOM 997 C ALA A 61 -5.765 -2.974 15.787 1.00 21.51 C ATOM 998 O ALA A 61 -4.931 -3.736 16.283 1.00 63.11 O ATOM 999 CB ALA A 61 -6.122 -2.496 13.326 1.00 10.25 C ATOM 0 H ALA A 61 -3.512 -2.976 14.538 1.00 44.51 H new ATOM 0 HA ALA A 61 -5.716 -1.040 14.844 1.00 62.53 H new ATOM 0 HB1 ALA A 61 -7.199 -2.488 13.496 1.00 10.25 H new ATOM 0 HB2 ALA A 61 -5.877 -1.809 12.516 1.00 10.25 H new ATOM 0 HB3 ALA A 61 -5.805 -3.503 13.055 1.00 10.25 H new ATOM 1005 N ASP A 62 -7.019 -2.882 16.225 1.00 35.02 N ATOM 1006 CA ASP A 62 -7.555 -3.685 17.340 1.00 53.12 C ATOM 1007 C ASP A 62 -7.647 -5.178 16.955 1.00 75.21 C ATOM 1008 O ASP A 62 -7.312 -6.055 17.763 1.00 4.34 O ATOM 1009 CB ASP A 62 -8.942 -3.124 17.766 1.00 12.41 C ATOM 1010 CG ASP A 62 -9.953 -3.072 16.604 1.00 21.25 C ATOM 1011 OD1 ASP A 62 -9.854 -2.150 15.759 1.00 44.24 O ATOM 1012 OD2 ASP A 62 -10.848 -3.948 16.515 1.00 32.41 O ATOM 0 H ASP A 62 -7.703 -2.245 15.818 1.00 35.02 H new ATOM 0 HA ASP A 62 -6.874 -3.614 18.188 1.00 53.12 H new ATOM 0 HB2 ASP A 62 -9.348 -3.743 18.566 1.00 12.41 H new ATOM 0 HB3 ASP A 62 -8.813 -2.121 18.173 1.00 12.41 H new ATOM 1017 N THR A 63 -8.090 -5.450 15.718 1.00 12.41 N ATOM 1018 CA THR A 63 -8.183 -6.814 15.166 1.00 74.04 C ATOM 1019 C THR A 63 -7.559 -6.851 13.760 1.00 25.24 C ATOM 1020 O THR A 63 -7.625 -5.854 13.010 1.00 12.12 O ATOM 1021 CB THR A 63 -9.667 -7.302 15.089 1.00 62.52 C ATOM 1022 OG1 THR A 63 -10.475 -6.300 14.444 1.00 60.33 O ATOM 1023 CG2 THR A 63 -10.255 -7.641 16.477 1.00 31.22 C ATOM 0 H THR A 63 -8.396 -4.727 15.067 1.00 12.41 H new ATOM 0 HA THR A 63 -7.639 -7.482 15.833 1.00 74.04 H new ATOM 0 HB THR A 63 -9.675 -8.223 14.506 1.00 62.52 H new ATOM 0 HG1 THR A 63 -11.404 -6.610 14.396 1.00 60.33 H new ATOM 0 HG21 THR A 63 -11.287 -7.974 16.364 1.00 31.22 H new ATOM 0 HG22 THR A 63 -9.666 -8.434 16.938 1.00 31.22 H new ATOM 0 HG23 THR A 63 -10.228 -6.754 17.110 1.00 31.22 H new ATOM 1031 N GLU A 64 -6.969 -8.014 13.404 1.00 73.52 N ATOM 1032 CA GLU A 64 -6.264 -8.194 12.128 1.00 54.24 C ATOM 1033 C GLU A 64 -7.250 -8.168 10.958 1.00 62.42 C ATOM 1034 O GLU A 64 -6.867 -7.780 9.889 1.00 23.14 O ATOM 1035 CB GLU A 64 -5.352 -9.471 12.147 1.00 40.35 C ATOM 1036 CG GLU A 64 -6.055 -10.843 12.323 1.00 30.53 C ATOM 1037 CD GLU A 64 -6.715 -11.393 11.043 1.00 53.43 C ATOM 1038 OE1 GLU A 64 -5.999 -11.580 10.033 1.00 71.34 O ATOM 1039 OE2 GLU A 64 -7.945 -11.634 11.039 1.00 64.23 O ATOM 0 H GLU A 64 -6.971 -8.846 13.994 1.00 73.52 H new ATOM 0 HA GLU A 64 -5.586 -7.353 11.983 1.00 54.24 H new ATOM 0 HB2 GLU A 64 -4.789 -9.497 11.214 1.00 40.35 H new ATOM 0 HB3 GLU A 64 -4.628 -9.357 12.954 1.00 40.35 H new ATOM 0 HG2 GLU A 64 -5.324 -11.568 12.680 1.00 30.53 H new ATOM 0 HG3 GLU A 64 -6.816 -10.750 13.098 1.00 30.53 H new ATOM 1046 N GLU A 65 -8.524 -8.555 11.196 1.00 72.22 N ATOM 1047 CA GLU A 65 -9.596 -8.506 10.175 1.00 4.01 C ATOM 1048 C GLU A 65 -9.738 -7.081 9.601 1.00 2.13 C ATOM 1049 O GLU A 65 -9.660 -6.864 8.381 1.00 3.14 O ATOM 1050 CB GLU A 65 -10.938 -8.973 10.804 1.00 65.41 C ATOM 1051 CG GLU A 65 -12.178 -8.885 9.884 1.00 44.24 C ATOM 1052 CD GLU A 65 -12.143 -9.848 8.681 1.00 44.31 C ATOM 1053 OE1 GLU A 65 -11.580 -9.491 7.623 1.00 63.01 O ATOM 1054 OE2 GLU A 65 -12.691 -10.973 8.780 1.00 44.12 O ATOM 0 H GLU A 65 -8.838 -8.909 12.100 1.00 72.22 H new ATOM 0 HA GLU A 65 -9.333 -9.175 9.356 1.00 4.01 H new ATOM 0 HB2 GLU A 65 -10.824 -10.006 11.131 1.00 65.41 H new ATOM 0 HB3 GLU A 65 -11.127 -8.375 11.696 1.00 65.41 H new ATOM 0 HG2 GLU A 65 -13.070 -9.092 10.475 1.00 44.24 H new ATOM 0 HG3 GLU A 65 -12.271 -7.864 9.515 1.00 44.24 H new ATOM 1061 N LYS A 66 -9.894 -6.117 10.516 1.00 20.31 N ATOM 1062 CA LYS A 66 -10.063 -4.694 10.179 1.00 62.32 C ATOM 1063 C LYS A 66 -8.761 -4.131 9.587 1.00 71.41 C ATOM 1064 O LYS A 66 -8.789 -3.280 8.693 1.00 71.23 O ATOM 1065 CB LYS A 66 -10.491 -3.919 11.452 1.00 72.25 C ATOM 1066 CG LYS A 66 -11.833 -4.405 12.055 1.00 24.03 C ATOM 1067 CD LYS A 66 -12.166 -3.748 13.411 1.00 73.44 C ATOM 1068 CE LYS A 66 -12.350 -2.226 13.326 1.00 40.23 C ATOM 1069 NZ LYS A 66 -12.524 -1.614 14.666 1.00 3.53 N ATOM 0 H LYS A 66 -9.907 -6.301 11.519 1.00 20.31 H new ATOM 0 HA LYS A 66 -10.841 -4.580 9.425 1.00 62.32 H new ATOM 0 HB2 LYS A 66 -9.709 -4.014 12.205 1.00 72.25 H new ATOM 0 HB3 LYS A 66 -10.574 -2.859 11.211 1.00 72.25 H new ATOM 0 HG2 LYS A 66 -12.637 -4.195 11.350 1.00 24.03 H new ATOM 0 HG3 LYS A 66 -11.795 -5.487 12.183 1.00 24.03 H new ATOM 0 HD2 LYS A 66 -13.078 -4.195 13.808 1.00 73.44 H new ATOM 0 HD3 LYS A 66 -11.368 -3.970 14.119 1.00 73.44 H new ATOM 0 HE2 LYS A 66 -11.484 -1.783 12.834 1.00 40.23 H new ATOM 0 HE3 LYS A 66 -13.219 -1.999 12.708 1.00 40.23 H new ATOM 0 HZ1 LYS A 66 -12.763 -0.607 14.560 1.00 3.53 H new ATOM 0 HZ2 LYS A 66 -13.291 -2.100 15.173 1.00 3.53 H new ATOM 0 HZ3 LYS A 66 -11.640 -1.705 15.207 1.00 3.53 H new ATOM 1083 N ALA A 67 -7.622 -4.630 10.099 1.00 30.44 N ATOM 1084 CA ALA A 67 -6.286 -4.250 9.609 1.00 70.20 C ATOM 1085 C ALA A 67 -6.035 -4.732 8.160 1.00 53.44 C ATOM 1086 O ALA A 67 -5.484 -3.988 7.347 1.00 62.42 O ATOM 1087 CB ALA A 67 -5.213 -4.787 10.559 1.00 75.33 C ATOM 0 H ALA A 67 -7.602 -5.306 10.862 1.00 30.44 H new ATOM 0 HA ALA A 67 -6.234 -3.161 9.589 1.00 70.20 H new ATOM 0 HB1 ALA A 67 -4.227 -4.503 10.192 1.00 75.33 H new ATOM 0 HB2 ALA A 67 -5.365 -4.367 11.554 1.00 75.33 H new ATOM 0 HB3 ALA A 67 -5.282 -5.874 10.609 1.00 75.33 H new ATOM 1093 N LYS A 68 -6.472 -5.971 7.855 1.00 42.34 N ATOM 1094 CA LYS A 68 -6.325 -6.590 6.521 1.00 10.03 C ATOM 1095 C LYS A 68 -7.248 -5.889 5.518 1.00 14.02 C ATOM 1096 O LYS A 68 -6.957 -5.857 4.324 1.00 62.23 O ATOM 1097 CB LYS A 68 -6.655 -8.120 6.551 1.00 44.11 C ATOM 1098 CG LYS A 68 -5.719 -9.010 7.402 1.00 25.41 C ATOM 1099 CD LYS A 68 -4.269 -9.034 6.895 1.00 61.01 C ATOM 1100 CE LYS A 68 -3.343 -9.809 7.840 1.00 73.44 C ATOM 1101 NZ LYS A 68 -3.780 -11.215 8.059 1.00 14.14 N ATOM 0 H LYS A 68 -6.940 -6.574 8.531 1.00 42.34 H new ATOM 0 HA LYS A 68 -5.285 -6.475 6.216 1.00 10.03 H new ATOM 0 HB2 LYS A 68 -7.673 -8.243 6.922 1.00 44.11 H new ATOM 0 HB3 LYS A 68 -6.642 -8.492 5.527 1.00 44.11 H new ATOM 0 HG2 LYS A 68 -5.730 -8.654 8.432 1.00 25.41 H new ATOM 0 HG3 LYS A 68 -6.109 -10.028 7.413 1.00 25.41 H new ATOM 0 HD2 LYS A 68 -4.239 -9.488 5.905 1.00 61.01 H new ATOM 0 HD3 LYS A 68 -3.905 -8.012 6.788 1.00 61.01 H new ATOM 0 HE2 LYS A 68 -2.333 -9.808 7.431 1.00 73.44 H new ATOM 0 HE3 LYS A 68 -3.299 -9.294 8.800 1.00 73.44 H new ATOM 0 HZ1 LYS A 68 -2.978 -11.778 8.408 1.00 14.14 H new ATOM 0 HZ2 LYS A 68 -4.547 -11.235 8.761 1.00 14.14 H new ATOM 0 HZ3 LYS A 68 -4.121 -11.616 7.162 1.00 14.14 H new ATOM 1115 N SER A 69 -8.378 -5.354 6.018 1.00 2.15 N ATOM 1116 CA SER A 69 -9.332 -4.588 5.203 1.00 73.00 C ATOM 1117 C SER A 69 -8.659 -3.298 4.685 1.00 23.35 C ATOM 1118 O SER A 69 -8.770 -2.961 3.507 1.00 1.02 O ATOM 1119 CB SER A 69 -10.595 -4.277 6.039 1.00 5.24 C ATOM 1120 OG SER A 69 -11.624 -3.692 5.254 1.00 1.22 O ATOM 0 H SER A 69 -8.652 -5.442 6.996 1.00 2.15 H new ATOM 0 HA SER A 69 -9.637 -5.175 4.337 1.00 73.00 H new ATOM 0 HB2 SER A 69 -10.964 -5.197 6.493 1.00 5.24 H new ATOM 0 HB3 SER A 69 -10.333 -3.602 6.854 1.00 5.24 H new ATOM 0 HG SER A 69 -12.092 -3.012 5.782 1.00 1.22 H new ATOM 1126 N ILE A 70 -7.938 -2.614 5.592 1.00 23.45 N ATOM 1127 CA ILE A 70 -7.143 -1.404 5.272 1.00 62.31 C ATOM 1128 C ILE A 70 -6.062 -1.732 4.228 1.00 45.55 C ATOM 1129 O ILE A 70 -5.881 -0.999 3.246 1.00 72.14 O ATOM 1130 CB ILE A 70 -6.480 -0.837 6.583 1.00 3.24 C ATOM 1131 CG1 ILE A 70 -7.589 -0.466 7.611 1.00 51.13 C ATOM 1132 CG2 ILE A 70 -5.539 0.368 6.297 1.00 34.04 C ATOM 1133 CD1 ILE A 70 -7.094 -0.163 9.010 1.00 22.50 C ATOM 0 H ILE A 70 -7.887 -2.883 6.575 1.00 23.45 H new ATOM 0 HA ILE A 70 -7.807 -0.648 4.854 1.00 62.31 H new ATOM 0 HB ILE A 70 -5.849 -1.617 7.009 1.00 3.24 H new ATOM 0 HG12 ILE A 70 -8.132 0.403 7.238 1.00 51.13 H new ATOM 0 HG13 ILE A 70 -8.302 -1.288 7.665 1.00 51.13 H new ATOM 0 HG21 ILE A 70 -5.107 0.722 7.233 1.00 34.04 H new ATOM 0 HG22 ILE A 70 -4.741 0.055 5.624 1.00 34.04 H new ATOM 0 HG23 ILE A 70 -6.109 1.173 5.833 1.00 34.04 H new ATOM 0 HD11 ILE A 70 -7.941 0.084 9.650 1.00 22.50 H new ATOM 0 HD12 ILE A 70 -6.579 -1.036 9.411 1.00 22.50 H new ATOM 0 HD13 ILE A 70 -6.406 0.682 8.977 1.00 22.50 H new ATOM 1145 N ILE A 71 -5.364 -2.856 4.464 1.00 52.44 N ATOM 1146 CA ILE A 71 -4.337 -3.383 3.553 1.00 20.03 C ATOM 1147 C ILE A 71 -4.932 -3.630 2.150 1.00 62.03 C ATOM 1148 O ILE A 71 -4.321 -3.257 1.154 1.00 25.23 O ATOM 1149 CB ILE A 71 -3.706 -4.707 4.138 1.00 75.44 C ATOM 1150 CG1 ILE A 71 -2.933 -4.399 5.464 1.00 22.25 C ATOM 1151 CG2 ILE A 71 -2.794 -5.427 3.113 1.00 62.50 C ATOM 1152 CD1 ILE A 71 -2.378 -5.622 6.178 1.00 51.04 C ATOM 0 H ILE A 71 -5.499 -3.427 5.298 1.00 52.44 H new ATOM 0 HA ILE A 71 -3.544 -2.641 3.459 1.00 20.03 H new ATOM 0 HB ILE A 71 -4.525 -5.391 4.360 1.00 75.44 H new ATOM 0 HG12 ILE A 71 -2.109 -3.722 5.239 1.00 22.25 H new ATOM 0 HG13 ILE A 71 -3.602 -3.871 6.144 1.00 22.25 H new ATOM 0 HG21 ILE A 71 -2.384 -6.331 3.563 1.00 62.50 H new ATOM 0 HG22 ILE A 71 -3.377 -5.692 2.231 1.00 62.50 H new ATOM 0 HG23 ILE A 71 -1.978 -4.764 2.823 1.00 62.50 H new ATOM 0 HD11 ILE A 71 -1.860 -5.310 7.085 1.00 51.04 H new ATOM 0 HD12 ILE A 71 -3.196 -6.293 6.440 1.00 51.04 H new ATOM 0 HD13 ILE A 71 -1.680 -6.141 5.521 1.00 51.04 H new ATOM 1164 N LYS A 72 -6.150 -4.211 2.098 1.00 75.10 N ATOM 1165 CA LYS A 72 -6.816 -4.567 0.828 1.00 52.44 C ATOM 1166 C LYS A 72 -7.177 -3.318 0.026 1.00 20.31 C ATOM 1167 O LYS A 72 -7.065 -3.312 -1.201 1.00 43.01 O ATOM 1168 CB LYS A 72 -8.068 -5.452 1.077 1.00 43.43 C ATOM 1169 CG LYS A 72 -8.814 -5.924 -0.200 1.00 41.54 C ATOM 1170 CD LYS A 72 -7.898 -6.667 -1.211 1.00 10.44 C ATOM 1171 CE LYS A 72 -7.325 -7.987 -0.662 1.00 25.45 C ATOM 1172 NZ LYS A 72 -6.331 -8.592 -1.593 1.00 60.33 N ATOM 0 H LYS A 72 -6.695 -4.445 2.928 1.00 75.10 H new ATOM 0 HA LYS A 72 -6.110 -5.151 0.237 1.00 52.44 H new ATOM 0 HB2 LYS A 72 -7.764 -6.331 1.645 1.00 43.43 H new ATOM 0 HB3 LYS A 72 -8.767 -4.895 1.701 1.00 43.43 H new ATOM 0 HG2 LYS A 72 -9.633 -6.583 0.089 1.00 41.54 H new ATOM 0 HG3 LYS A 72 -9.259 -5.059 -0.692 1.00 41.54 H new ATOM 0 HD2 LYS A 72 -8.465 -6.875 -2.118 1.00 10.44 H new ATOM 0 HD3 LYS A 72 -7.074 -6.011 -1.493 1.00 10.44 H new ATOM 0 HE2 LYS A 72 -6.853 -7.804 0.304 1.00 25.45 H new ATOM 0 HE3 LYS A 72 -8.138 -8.692 -0.491 1.00 25.45 H new ATOM 0 HZ1 LYS A 72 -6.405 -9.629 -1.554 1.00 60.33 H new ATOM 0 HZ2 LYS A 72 -6.521 -8.267 -2.563 1.00 60.33 H new ATOM 0 HZ3 LYS A 72 -5.372 -8.303 -1.313 1.00 60.33 H new ATOM 1186 N LEU A 73 -7.612 -2.260 0.735 1.00 4.50 N ATOM 1187 CA LEU A 73 -7.870 -0.947 0.116 1.00 64.03 C ATOM 1188 C LEU A 73 -6.599 -0.469 -0.601 1.00 20.21 C ATOM 1189 O LEU A 73 -6.631 -0.188 -1.794 1.00 64.21 O ATOM 1190 CB LEU A 73 -8.346 0.097 1.181 1.00 3.44 C ATOM 1191 CG LEU A 73 -9.889 0.221 1.408 1.00 73.11 C ATOM 1192 CD1 LEU A 73 -10.557 -1.141 1.687 1.00 22.25 C ATOM 1193 CD2 LEU A 73 -10.190 1.246 2.535 1.00 54.41 C ATOM 0 H LEU A 73 -7.792 -2.289 1.739 1.00 4.50 H new ATOM 0 HA LEU A 73 -8.674 -1.048 -0.613 1.00 64.03 H new ATOM 0 HB2 LEU A 73 -7.882 -0.155 2.134 1.00 3.44 H new ATOM 0 HB3 LEU A 73 -7.966 1.076 0.890 1.00 3.44 H new ATOM 0 HG LEU A 73 -10.327 0.589 0.480 1.00 73.11 H new ATOM 0 HD11 LEU A 73 -11.627 -0.997 1.837 1.00 22.25 H new ATOM 0 HD12 LEU A 73 -10.396 -1.806 0.839 1.00 22.25 H new ATOM 0 HD13 LEU A 73 -10.121 -1.583 2.583 1.00 22.25 H new ATOM 0 HD21 LEU A 73 -11.268 1.321 2.681 1.00 54.41 H new ATOM 0 HD22 LEU A 73 -9.721 0.916 3.462 1.00 54.41 H new ATOM 0 HD23 LEU A 73 -9.793 2.222 2.255 1.00 54.41 H new ATOM 1205 N ILE A 74 -5.479 -0.452 0.144 1.00 21.45 N ATOM 1206 CA ILE A 74 -4.180 0.009 -0.363 1.00 12.20 C ATOM 1207 C ILE A 74 -3.731 -0.829 -1.586 1.00 61.41 C ATOM 1208 O ILE A 74 -3.301 -0.263 -2.578 1.00 53.31 O ATOM 1209 CB ILE A 74 -3.099 -0.013 0.785 1.00 71.51 C ATOM 1210 CG1 ILE A 74 -3.556 0.928 1.955 1.00 75.31 C ATOM 1211 CG2 ILE A 74 -1.697 0.388 0.263 1.00 11.12 C ATOM 1212 CD1 ILE A 74 -2.650 0.957 3.171 1.00 4.33 C ATOM 0 H ILE A 74 -5.452 -0.759 1.116 1.00 21.45 H new ATOM 0 HA ILE A 74 -4.288 1.040 -0.700 1.00 12.20 H new ATOM 0 HB ILE A 74 -3.015 -1.034 1.159 1.00 71.51 H new ATOM 0 HG12 ILE A 74 -3.644 1.943 1.567 1.00 75.31 H new ATOM 0 HG13 ILE A 74 -4.552 0.622 2.275 1.00 75.31 H new ATOM 0 HG21 ILE A 74 -0.981 0.360 1.085 1.00 11.12 H new ATOM 0 HG22 ILE A 74 -1.385 -0.310 -0.514 1.00 11.12 H new ATOM 0 HG23 ILE A 74 -1.737 1.396 -0.150 1.00 11.12 H new ATOM 0 HD11 ILE A 74 -3.062 1.639 3.915 1.00 4.33 H new ATOM 0 HD12 ILE A 74 -2.579 -0.044 3.596 1.00 4.33 H new ATOM 0 HD13 ILE A 74 -1.657 1.297 2.877 1.00 4.33 H new ATOM 1224 N GLU A 75 -3.900 -2.166 -1.512 1.00 52.42 N ATOM 1225 CA GLU A 75 -3.544 -3.110 -2.609 1.00 4.34 C ATOM 1226 C GLU A 75 -4.271 -2.746 -3.917 1.00 64.12 C ATOM 1227 O GLU A 75 -3.653 -2.641 -4.988 1.00 21.51 O ATOM 1228 CB GLU A 75 -3.923 -4.560 -2.217 1.00 22.44 C ATOM 1229 CG GLU A 75 -3.120 -5.180 -1.062 1.00 54.43 C ATOM 1230 CD GLU A 75 -3.663 -6.566 -0.666 1.00 23.45 C ATOM 1231 OE1 GLU A 75 -3.501 -7.527 -1.451 1.00 72.52 O ATOM 1232 OE2 GLU A 75 -4.272 -6.717 0.410 1.00 51.24 O ATOM 0 H GLU A 75 -4.288 -2.629 -0.690 1.00 52.42 H new ATOM 0 HA GLU A 75 -2.468 -3.035 -2.766 1.00 4.34 H new ATOM 0 HB2 GLU A 75 -4.979 -4.578 -1.949 1.00 22.44 H new ATOM 0 HB3 GLU A 75 -3.806 -5.195 -3.096 1.00 22.44 H new ATOM 0 HG2 GLU A 75 -2.074 -5.270 -1.354 1.00 54.43 H new ATOM 0 HG3 GLU A 75 -3.154 -4.516 -0.198 1.00 54.43 H new ATOM 1239 N GLU A 76 -5.598 -2.568 -3.801 1.00 53.14 N ATOM 1240 CA GLU A 76 -6.465 -2.261 -4.945 1.00 24.10 C ATOM 1241 C GLU A 76 -6.101 -0.908 -5.567 1.00 14.42 C ATOM 1242 O GLU A 76 -6.002 -0.791 -6.789 1.00 55.51 O ATOM 1243 CB GLU A 76 -7.955 -2.275 -4.518 1.00 42.34 C ATOM 1244 CG GLU A 76 -8.474 -3.637 -4.010 1.00 20.11 C ATOM 1245 CD GLU A 76 -8.502 -4.737 -5.083 1.00 15.23 C ATOM 1246 OE1 GLU A 76 -7.489 -5.442 -5.264 1.00 1.24 O ATOM 1247 OE2 GLU A 76 -9.547 -4.895 -5.758 1.00 15.34 O ATOM 0 H GLU A 76 -6.096 -2.633 -2.913 1.00 53.14 H new ATOM 0 HA GLU A 76 -6.310 -3.033 -5.699 1.00 24.10 H new ATOM 0 HB2 GLU A 76 -8.100 -1.532 -3.734 1.00 42.34 H new ATOM 0 HB3 GLU A 76 -8.564 -1.965 -5.367 1.00 42.34 H new ATOM 0 HG2 GLU A 76 -7.846 -3.967 -3.182 1.00 20.11 H new ATOM 0 HG3 GLU A 76 -9.481 -3.505 -3.613 1.00 20.11 H new ATOM 1254 N ARG A 77 -5.874 0.092 -4.705 1.00 62.44 N ATOM 1255 CA ARG A 77 -5.607 1.467 -5.135 1.00 55.51 C ATOM 1256 C ARG A 77 -4.244 1.558 -5.848 1.00 33.41 C ATOM 1257 O ARG A 77 -4.176 2.023 -6.983 1.00 3.11 O ATOM 1258 CB ARG A 77 -5.639 2.422 -3.922 1.00 62.04 C ATOM 1259 CG ARG A 77 -6.973 2.501 -3.156 1.00 35.23 C ATOM 1260 CD ARG A 77 -8.112 3.136 -3.949 1.00 5.50 C ATOM 1261 NE ARG A 77 -9.305 3.352 -3.111 1.00 43.44 N ATOM 1262 CZ ARG A 77 -9.468 4.376 -2.252 1.00 62.52 C ATOM 1263 NH1 ARG A 77 -8.528 5.300 -2.103 1.00 31.42 N ATOM 1264 NH2 ARG A 77 -10.565 4.460 -1.534 1.00 22.24 N ATOM 0 H ARG A 77 -5.871 -0.031 -3.692 1.00 62.44 H new ATOM 0 HA ARG A 77 -6.385 1.765 -5.838 1.00 55.51 H new ATOM 0 HB2 ARG A 77 -4.860 2.116 -3.224 1.00 62.04 H new ATOM 0 HB3 ARG A 77 -5.382 3.423 -4.267 1.00 62.04 H new ATOM 0 HG2 ARG A 77 -7.269 1.495 -2.859 1.00 35.23 H new ATOM 0 HG3 ARG A 77 -6.820 3.072 -2.240 1.00 35.23 H new ATOM 0 HD2 ARG A 77 -7.781 4.088 -4.363 1.00 5.50 H new ATOM 0 HD3 ARG A 77 -8.370 2.495 -4.792 1.00 5.50 H new ATOM 0 HE ARG A 77 -10.064 2.675 -3.187 1.00 43.44 H new ATOM 0 HH11 ARG A 77 -7.665 5.242 -2.644 1.00 31.42 H new ATOM 0 HH12 ARG A 77 -8.668 6.069 -1.448 1.00 31.42 H new ATOM 0 HH21 ARG A 77 -11.291 3.750 -1.628 1.00 22.24 H new ATOM 0 HH22 ARG A 77 -10.690 5.235 -0.883 1.00 22.24 H new ATOM 1278 N ILE A 78 -3.165 1.082 -5.169 1.00 34.24 N ATOM 1279 CA ILE A 78 -1.777 1.221 -5.673 1.00 75.52 C ATOM 1280 C ILE A 78 -1.628 0.596 -7.062 1.00 11.41 C ATOM 1281 O ILE A 78 -1.066 1.221 -7.952 1.00 42.15 O ATOM 1282 CB ILE A 78 -0.673 0.624 -4.698 1.00 74.11 C ATOM 1283 CG1 ILE A 78 -0.858 -0.914 -4.493 1.00 13.32 C ATOM 1284 CG2 ILE A 78 -0.670 1.370 -3.344 1.00 24.13 C ATOM 1285 CD1 ILE A 78 0.149 -1.593 -3.591 1.00 33.13 C ATOM 0 H ILE A 78 -3.233 0.600 -4.273 1.00 34.24 H new ATOM 0 HA ILE A 78 -1.601 2.295 -5.729 1.00 75.52 H new ATOM 0 HB ILE A 78 0.298 0.775 -5.169 1.00 74.11 H new ATOM 0 HG12 ILE A 78 -1.854 -1.088 -4.087 1.00 13.32 H new ATOM 0 HG13 ILE A 78 -0.823 -1.397 -5.470 1.00 13.32 H new ATOM 0 HG21 ILE A 78 0.094 0.943 -2.695 1.00 24.13 H new ATOM 0 HG22 ILE A 78 -0.456 2.426 -3.511 1.00 24.13 H new ATOM 0 HG23 ILE A 78 -1.647 1.269 -2.871 1.00 24.13 H new ATOM 0 HD11 ILE A 78 -0.081 -2.656 -3.525 1.00 33.13 H new ATOM 0 HD12 ILE A 78 1.151 -1.463 -4.001 1.00 33.13 H new ATOM 0 HD13 ILE A 78 0.104 -1.150 -2.596 1.00 33.13 H new ATOM 1297 N GLU A 79 -2.184 -0.621 -7.251 1.00 32.22 N ATOM 1298 CA GLU A 79 -2.067 -1.344 -8.517 1.00 41.22 C ATOM 1299 C GLU A 79 -2.928 -0.675 -9.595 1.00 72.24 C ATOM 1300 O GLU A 79 -2.474 -0.487 -10.719 1.00 43.30 O ATOM 1301 CB GLU A 79 -2.472 -2.829 -8.377 1.00 30.33 C ATOM 1302 CG GLU A 79 -2.150 -3.664 -9.639 1.00 1.21 C ATOM 1303 CD GLU A 79 -2.763 -5.068 -9.643 1.00 64.41 C ATOM 1304 OE1 GLU A 79 -2.583 -5.813 -8.660 1.00 30.14 O ATOM 1305 OE2 GLU A 79 -3.404 -5.454 -10.649 1.00 72.51 O ATOM 0 H GLU A 79 -2.717 -1.116 -6.536 1.00 32.22 H new ATOM 0 HA GLU A 79 -1.018 -1.309 -8.811 1.00 41.22 H new ATOM 0 HB2 GLU A 79 -1.956 -3.262 -7.520 1.00 30.33 H new ATOM 0 HB3 GLU A 79 -3.540 -2.891 -8.170 1.00 30.33 H new ATOM 0 HG2 GLU A 79 -2.504 -3.124 -10.517 1.00 1.21 H new ATOM 0 HG3 GLU A 79 -1.068 -3.753 -9.734 1.00 1.21 H new ATOM 1312 N GLU A 80 -4.172 -0.300 -9.241 1.00 20.44 N ATOM 1313 CA GLU A 80 -5.123 0.268 -10.220 1.00 54.00 C ATOM 1314 C GLU A 80 -4.590 1.588 -10.811 1.00 13.01 C ATOM 1315 O GLU A 80 -4.834 1.881 -11.976 1.00 12.14 O ATOM 1316 CB GLU A 80 -6.530 0.453 -9.594 1.00 12.54 C ATOM 1317 CG GLU A 80 -7.594 1.022 -10.558 1.00 71.54 C ATOM 1318 CD GLU A 80 -9.035 0.858 -10.053 1.00 50.03 C ATOM 1319 OE1 GLU A 80 -9.500 1.687 -9.241 1.00 4.10 O ATOM 1320 OE2 GLU A 80 -9.710 -0.111 -10.466 1.00 10.31 O ATOM 0 H GLU A 80 -4.541 -0.378 -8.293 1.00 20.44 H new ATOM 0 HA GLU A 80 -5.222 -0.443 -11.040 1.00 54.00 H new ATOM 0 HB2 GLU A 80 -6.876 -0.511 -9.220 1.00 12.54 H new ATOM 0 HB3 GLU A 80 -6.446 1.117 -8.734 1.00 12.54 H new ATOM 0 HG2 GLU A 80 -7.394 2.081 -10.722 1.00 71.54 H new ATOM 0 HG3 GLU A 80 -7.498 0.526 -11.524 1.00 71.54 H new ATOM 1327 N GLU A 81 -3.833 2.356 -10.004 1.00 64.12 N ATOM 1328 CA GLU A 81 -3.260 3.652 -10.433 1.00 2.31 C ATOM 1329 C GLU A 81 -1.888 3.478 -11.105 1.00 72.23 C ATOM 1330 O GLU A 81 -1.558 4.203 -12.047 1.00 34.23 O ATOM 1331 CB GLU A 81 -3.146 4.607 -9.219 1.00 60.45 C ATOM 1332 CG GLU A 81 -4.457 4.801 -8.432 1.00 3.41 C ATOM 1333 CD GLU A 81 -5.624 5.291 -9.306 1.00 24.42 C ATOM 1334 OE1 GLU A 81 -5.692 6.505 -9.599 1.00 53.22 O ATOM 1335 OE2 GLU A 81 -6.479 4.473 -9.714 1.00 5.13 O ATOM 0 H GLU A 81 -3.601 2.101 -9.044 1.00 64.12 H new ATOM 0 HA GLU A 81 -3.933 4.084 -11.173 1.00 2.31 H new ATOM 0 HB2 GLU A 81 -2.384 4.223 -8.541 1.00 60.45 H new ATOM 0 HB3 GLU A 81 -2.800 5.580 -9.569 1.00 60.45 H new ATOM 0 HG2 GLU A 81 -4.735 3.857 -7.963 1.00 3.41 H new ATOM 0 HG3 GLU A 81 -4.288 5.518 -7.629 1.00 3.41 H new ATOM 1342 N LEU A 82 -1.086 2.517 -10.612 1.00 74.55 N ATOM 1343 CA LEU A 82 0.305 2.319 -11.080 1.00 23.22 C ATOM 1344 C LEU A 82 0.310 1.536 -12.400 1.00 21.00 C ATOM 1345 O LEU A 82 0.966 1.936 -13.354 1.00 0.54 O ATOM 1346 CB LEU A 82 1.143 1.583 -9.997 1.00 61.23 C ATOM 1347 CG LEU A 82 2.647 1.971 -9.860 1.00 22.41 C ATOM 1348 CD1 LEU A 82 3.286 1.173 -8.719 1.00 31.01 C ATOM 1349 CD2 LEU A 82 3.444 1.798 -11.177 1.00 54.03 C ATOM 0 H LEU A 82 -1.376 1.861 -9.887 1.00 74.55 H new ATOM 0 HA LEU A 82 0.760 3.294 -11.255 1.00 23.22 H new ATOM 0 HB2 LEU A 82 0.664 1.749 -9.032 1.00 61.23 H new ATOM 0 HB3 LEU A 82 1.089 0.513 -10.200 1.00 61.23 H new ATOM 0 HG LEU A 82 2.687 3.035 -9.627 1.00 22.41 H new ATOM 0 HD11 LEU A 82 4.337 1.447 -8.627 1.00 31.01 H new ATOM 0 HD12 LEU A 82 2.770 1.396 -7.785 1.00 31.01 H new ATOM 0 HD13 LEU A 82 3.207 0.107 -8.932 1.00 31.01 H new ATOM 0 HD21 LEU A 82 4.483 2.085 -11.014 1.00 54.03 H new ATOM 0 HD22 LEU A 82 3.401 0.756 -11.494 1.00 54.03 H new ATOM 0 HD23 LEU A 82 3.010 2.431 -11.951 1.00 54.03 H new ATOM 1361 N ARG A 83 -0.401 0.398 -12.410 1.00 62.42 N ATOM 1362 CA ARG A 83 -0.557 -0.472 -13.599 1.00 73.21 C ATOM 1363 C ARG A 83 -1.266 0.278 -14.751 1.00 62.40 C ATOM 1364 O ARG A 83 -1.109 -0.072 -15.920 1.00 25.45 O ATOM 1365 CB ARG A 83 -1.309 -1.776 -13.210 1.00 41.33 C ATOM 1366 CG ARG A 83 -1.482 -2.819 -14.336 1.00 41.42 C ATOM 1367 CD ARG A 83 -2.247 -4.076 -13.864 1.00 53.20 C ATOM 1368 NE ARG A 83 -3.560 -3.749 -13.257 1.00 32.01 N ATOM 1369 CZ ARG A 83 -4.697 -3.497 -13.930 1.00 1.53 C ATOM 1370 NH1 ARG A 83 -4.736 -3.539 -15.257 1.00 10.54 N ATOM 1371 NH2 ARG A 83 -5.800 -3.190 -13.267 1.00 31.12 N ATOM 0 H ARG A 83 -0.891 0.047 -11.587 1.00 62.42 H new ATOM 0 HA ARG A 83 0.433 -0.748 -13.963 1.00 73.21 H new ATOM 0 HB2 ARG A 83 -0.776 -2.247 -12.384 1.00 41.33 H new ATOM 0 HB3 ARG A 83 -2.297 -1.505 -12.838 1.00 41.33 H new ATOM 0 HG2 ARG A 83 -2.016 -2.364 -15.170 1.00 41.42 H new ATOM 0 HG3 ARG A 83 -0.501 -3.113 -14.709 1.00 41.42 H new ATOM 0 HD2 ARG A 83 -2.399 -4.744 -14.712 1.00 53.20 H new ATOM 0 HD3 ARG A 83 -1.639 -4.616 -13.138 1.00 53.20 H new ATOM 0 HE ARG A 83 -3.605 -3.712 -12.239 1.00 32.01 H new ATOM 0 HH11 ARG A 83 -3.893 -3.766 -15.785 1.00 10.54 H new ATOM 0 HH12 ARG A 83 -5.609 -3.345 -15.748 1.00 10.54 H new ATOM 0 HH21 ARG A 83 -5.787 -3.145 -12.248 1.00 31.12 H new ATOM 0 HH22 ARG A 83 -6.664 -2.998 -13.775 1.00 31.12 H new ATOM 1385 N LYS A 84 -2.023 1.331 -14.392 1.00 14.43 N ATOM 1386 CA LYS A 84 -2.638 2.272 -15.339 1.00 33.14 C ATOM 1387 C LYS A 84 -1.548 3.026 -16.146 1.00 62.31 C ATOM 1388 O LYS A 84 -1.716 3.310 -17.337 1.00 74.34 O ATOM 1389 CB LYS A 84 -3.495 3.250 -14.507 1.00 65.53 C ATOM 1390 CG LYS A 84 -4.399 4.199 -15.292 1.00 14.13 C ATOM 1391 CD LYS A 84 -5.200 5.157 -14.365 1.00 32.44 C ATOM 1392 CE LYS A 84 -6.137 4.415 -13.385 1.00 32.03 C ATOM 1393 NZ LYS A 84 -6.854 5.339 -12.466 1.00 15.52 N ATOM 0 H LYS A 84 -2.227 1.553 -13.418 1.00 14.43 H new ATOM 0 HA LYS A 84 -3.258 1.747 -16.066 1.00 33.14 H new ATOM 0 HB2 LYS A 84 -4.119 2.666 -13.830 1.00 65.53 H new ATOM 0 HB3 LYS A 84 -2.826 3.849 -13.888 1.00 65.53 H new ATOM 0 HG2 LYS A 84 -3.793 4.787 -15.981 1.00 14.13 H new ATOM 0 HG3 LYS A 84 -5.095 3.617 -15.897 1.00 14.13 H new ATOM 0 HD2 LYS A 84 -4.501 5.770 -13.796 1.00 32.44 H new ATOM 0 HD3 LYS A 84 -5.792 5.836 -14.979 1.00 32.44 H new ATOM 0 HE2 LYS A 84 -6.865 3.836 -13.953 1.00 32.03 H new ATOM 0 HE3 LYS A 84 -5.554 3.705 -12.798 1.00 32.03 H new ATOM 0 HZ1 LYS A 84 -6.775 4.989 -11.490 1.00 15.52 H new ATOM 0 HZ2 LYS A 84 -6.432 6.288 -12.529 1.00 15.52 H new ATOM 0 HZ3 LYS A 84 -7.857 5.388 -12.736 1.00 15.52 H new ATOM 1407 N ARG A 85 -0.430 3.327 -15.458 1.00 23.12 N ATOM 1408 CA ARG A 85 0.728 4.051 -16.017 1.00 14.45 C ATOM 1409 C ARG A 85 1.773 3.070 -16.603 1.00 74.12 C ATOM 1410 O ARG A 85 2.415 3.365 -17.617 1.00 52.32 O ATOM 1411 CB ARG A 85 1.350 4.913 -14.875 1.00 74.35 C ATOM 1412 CG ARG A 85 2.677 5.635 -15.196 1.00 71.40 C ATOM 1413 CD ARG A 85 2.582 6.612 -16.378 1.00 54.43 C ATOM 1414 NE ARG A 85 1.628 7.715 -16.133 1.00 1.43 N ATOM 1415 CZ ARG A 85 1.705 8.936 -16.685 1.00 62.34 C ATOM 1416 NH1 ARG A 85 2.696 9.246 -17.511 1.00 72.12 N ATOM 1417 NH2 ARG A 85 0.780 9.844 -16.414 1.00 22.00 N ATOM 0 H ARG A 85 -0.304 3.069 -14.479 1.00 23.12 H new ATOM 0 HA ARG A 85 0.404 4.691 -16.838 1.00 14.45 H new ATOM 0 HB2 ARG A 85 0.618 5.663 -14.577 1.00 74.35 H new ATOM 0 HB3 ARG A 85 1.514 4.268 -14.012 1.00 74.35 H new ATOM 0 HG2 ARG A 85 3.006 6.180 -14.312 1.00 71.40 H new ATOM 0 HG3 ARG A 85 3.442 4.890 -15.414 1.00 71.40 H new ATOM 0 HD2 ARG A 85 3.569 7.029 -16.579 1.00 54.43 H new ATOM 0 HD3 ARG A 85 2.278 6.066 -17.271 1.00 54.43 H new ATOM 0 HE ARG A 85 0.852 7.534 -15.496 1.00 1.43 H new ATOM 0 HH11 ARG A 85 3.411 8.553 -17.733 1.00 72.12 H new ATOM 0 HH12 ARG A 85 2.743 10.177 -17.924 1.00 72.12 H new ATOM 0 HH21 ARG A 85 0.009 9.615 -15.786 1.00 22.00 H new ATOM 0 HH22 ARG A 85 0.838 10.772 -16.833 1.00 22.00 H new ATOM 1431 N ASP A 86 1.896 1.889 -15.983 1.00 75.41 N ATOM 1432 CA ASP A 86 2.903 0.873 -16.340 1.00 22.41 C ATOM 1433 C ASP A 86 2.208 -0.484 -16.565 1.00 13.33 C ATOM 1434 O ASP A 86 1.749 -1.083 -15.595 1.00 54.43 O ATOM 1435 CB ASP A 86 3.987 0.745 -15.229 1.00 21.12 C ATOM 1436 CG ASP A 86 4.885 1.981 -15.122 1.00 10.24 C ATOM 1437 OD1 ASP A 86 5.741 2.172 -16.017 1.00 32.12 O ATOM 1438 OD2 ASP A 86 4.740 2.779 -14.166 1.00 3.12 O ATOM 0 H ASP A 86 1.294 1.606 -15.210 1.00 75.41 H new ATOM 0 HA ASP A 86 3.400 1.184 -17.259 1.00 22.41 H new ATOM 0 HB2 ASP A 86 3.498 0.574 -14.270 1.00 21.12 H new ATOM 0 HB3 ASP A 86 4.605 -0.130 -15.432 1.00 21.12 H new ATOM 1443 N PRO A 87 2.094 -0.971 -17.841 1.00 54.45 N ATOM 1444 CA PRO A 87 1.413 -2.258 -18.178 1.00 1.13 C ATOM 1445 C PRO A 87 1.881 -3.471 -17.331 1.00 50.11 C ATOM 1446 O PRO A 87 1.069 -4.322 -16.956 1.00 15.44 O ATOM 1447 CB PRO A 87 1.754 -2.460 -19.675 1.00 55.12 C ATOM 1448 CG PRO A 87 1.944 -1.074 -20.199 1.00 30.43 C ATOM 1449 CD PRO A 87 2.585 -0.297 -19.068 1.00 32.24 C ATOM 0 HA PRO A 87 0.346 -2.202 -17.965 1.00 1.13 H new ATOM 0 HB2 PRO A 87 2.655 -3.060 -19.800 1.00 55.12 H new ATOM 0 HB3 PRO A 87 0.951 -2.977 -20.200 1.00 55.12 H new ATOM 0 HG2 PRO A 87 2.579 -1.073 -21.085 1.00 30.43 H new ATOM 0 HG3 PRO A 87 0.992 -0.630 -20.489 1.00 30.43 H new ATOM 0 HD2 PRO A 87 3.673 -0.326 -19.131 1.00 32.24 H new ATOM 0 HD3 PRO A 87 2.293 0.753 -19.090 1.00 32.24 H new ATOM 1457 N ASN A 88 3.192 -3.520 -17.023 1.00 1.04 N ATOM 1458 CA ASN A 88 3.802 -4.655 -16.295 1.00 63.31 C ATOM 1459 C ASN A 88 4.003 -4.341 -14.801 1.00 21.51 C ATOM 1460 O ASN A 88 4.799 -5.015 -14.137 1.00 63.13 O ATOM 1461 CB ASN A 88 5.145 -5.057 -16.957 1.00 75.34 C ATOM 1462 CG ASN A 88 4.958 -5.730 -18.318 1.00 32.05 C ATOM 1463 OD1 ASN A 88 4.929 -5.068 -19.355 1.00 41.15 O ATOM 1464 ND2 ASN A 88 4.823 -7.053 -18.326 1.00 53.54 N ATOM 0 H ASN A 88 3.854 -2.783 -17.268 1.00 1.04 H new ATOM 0 HA ASN A 88 3.111 -5.496 -16.356 1.00 63.31 H new ATOM 0 HB2 ASN A 88 5.765 -4.169 -17.078 1.00 75.34 H new ATOM 0 HB3 ASN A 88 5.684 -5.733 -16.293 1.00 75.34 H new ATOM 0 HD21 ASN A 88 4.691 -7.547 -19.209 1.00 53.54 H new ATOM 0 HD22 ASN A 88 4.851 -7.574 -17.449 1.00 53.54 H new ATOM 1471 N ALA A 89 3.257 -3.354 -14.259 1.00 35.43 N ATOM 1472 CA ALA A 89 3.302 -3.019 -12.816 1.00 31.12 C ATOM 1473 C ALA A 89 2.491 -4.046 -12.006 1.00 41.53 C ATOM 1474 O ALA A 89 1.315 -3.824 -11.664 1.00 14.43 O ATOM 1475 CB ALA A 89 2.815 -1.590 -12.562 1.00 32.32 C ATOM 0 H ALA A 89 2.615 -2.774 -14.799 1.00 35.43 H new ATOM 0 HA ALA A 89 4.339 -3.066 -12.483 1.00 31.12 H new ATOM 0 HB1 ALA A 89 2.860 -1.375 -11.494 1.00 32.32 H new ATOM 0 HB2 ALA A 89 3.451 -0.888 -13.101 1.00 32.32 H new ATOM 0 HB3 ALA A 89 1.787 -1.489 -12.909 1.00 32.32 H new ATOM 1481 N THR A 90 3.110 -5.210 -11.798 1.00 61.33 N ATOM 1482 CA THR A 90 2.573 -6.296 -10.976 1.00 5.43 C ATOM 1483 C THR A 90 3.024 -6.103 -9.526 1.00 14.20 C ATOM 1484 O THR A 90 4.157 -5.697 -9.275 1.00 72.24 O ATOM 1485 CB THR A 90 3.081 -7.681 -11.525 1.00 4.43 C ATOM 1486 OG1 THR A 90 2.731 -7.808 -12.916 1.00 33.12 O ATOM 1487 CG2 THR A 90 2.508 -8.888 -10.756 1.00 53.55 C ATOM 0 H THR A 90 4.019 -5.428 -12.206 1.00 61.33 H new ATOM 0 HA THR A 90 1.484 -6.283 -11.017 1.00 5.43 H new ATOM 0 HB THR A 90 4.162 -7.691 -11.388 1.00 4.43 H new ATOM 0 HG1 THR A 90 3.050 -8.670 -13.256 1.00 33.12 H new ATOM 0 HG21 THR A 90 2.898 -9.811 -11.185 1.00 53.55 H new ATOM 0 HG22 THR A 90 2.800 -8.823 -9.708 1.00 53.55 H new ATOM 0 HG23 THR A 90 1.421 -8.884 -10.831 1.00 53.55 H new ATOM 1495 N ILE A 91 2.132 -6.366 -8.576 1.00 34.14 N ATOM 1496 CA ILE A 91 2.447 -6.322 -7.149 1.00 14.13 C ATOM 1497 C ILE A 91 2.404 -7.749 -6.569 1.00 32.22 C ATOM 1498 O ILE A 91 1.593 -8.582 -7.000 1.00 52.44 O ATOM 1499 CB ILE A 91 1.484 -5.351 -6.366 1.00 54.30 C ATOM 1500 CG1 ILE A 91 0.018 -5.878 -6.331 1.00 23.12 C ATOM 1501 CG2 ILE A 91 1.521 -3.927 -6.984 1.00 1.42 C ATOM 1502 CD1 ILE A 91 -0.944 -4.972 -5.588 1.00 73.33 C ATOM 0 H ILE A 91 1.164 -6.617 -8.774 1.00 34.14 H new ATOM 0 HA ILE A 91 3.454 -5.922 -7.028 1.00 14.13 H new ATOM 0 HB ILE A 91 1.844 -5.307 -5.338 1.00 54.30 H new ATOM 0 HG12 ILE A 91 -0.336 -6.006 -7.354 1.00 23.12 H new ATOM 0 HG13 ILE A 91 0.008 -6.863 -5.864 1.00 23.12 H new ATOM 0 HG21 ILE A 91 0.849 -3.272 -6.429 1.00 1.42 H new ATOM 0 HG22 ILE A 91 2.536 -3.534 -6.932 1.00 1.42 H new ATOM 0 HG23 ILE A 91 1.203 -3.974 -8.026 1.00 1.42 H new ATOM 0 HD11 ILE A 91 -1.943 -5.407 -5.608 1.00 73.33 H new ATOM 0 HD12 ILE A 91 -0.616 -4.863 -4.554 1.00 73.33 H new ATOM 0 HD13 ILE A 91 -0.965 -3.993 -6.067 1.00 73.33 H new ATOM 1514 N THR A 92 3.321 -8.035 -5.638 1.00 54.44 N ATOM 1515 CA THR A 92 3.453 -9.351 -4.989 1.00 12.23 C ATOM 1516 C THR A 92 3.276 -9.199 -3.474 1.00 41.54 C ATOM 1517 O THR A 92 4.151 -8.652 -2.794 1.00 64.11 O ATOM 1518 CB THR A 92 4.850 -9.986 -5.315 1.00 74.12 C ATOM 1519 OG1 THR A 92 5.031 -10.034 -6.740 1.00 51.23 O ATOM 1520 CG2 THR A 92 5.011 -11.414 -4.736 1.00 14.33 C ATOM 0 H THR A 92 4.003 -7.352 -5.307 1.00 54.44 H new ATOM 0 HA THR A 92 2.679 -10.015 -5.373 1.00 12.23 H new ATOM 0 HB THR A 92 5.606 -9.356 -4.846 1.00 74.12 H new ATOM 0 HG1 THR A 92 5.904 -10.429 -6.946 1.00 51.23 H new ATOM 0 HG21 THR A 92 5.997 -11.802 -4.993 1.00 14.33 H new ATOM 0 HG22 THR A 92 4.906 -11.381 -3.652 1.00 14.33 H new ATOM 0 HG23 THR A 92 4.244 -12.065 -5.155 1.00 14.33 H new ATOM 1528 N ARG A 93 2.132 -9.666 -2.948 1.00 34.12 N ATOM 1529 CA ARG A 93 1.827 -9.539 -1.520 1.00 73.43 C ATOM 1530 C ARG A 93 2.483 -10.676 -0.721 1.00 55.35 C ATOM 1531 O ARG A 93 2.340 -11.860 -1.054 1.00 30.34 O ATOM 1532 CB ARG A 93 0.300 -9.519 -1.249 1.00 34.03 C ATOM 1533 CG ARG A 93 -0.033 -9.344 0.249 1.00 32.22 C ATOM 1534 CD ARG A 93 -1.530 -9.259 0.549 1.00 21.12 C ATOM 1535 NE ARG A 93 -2.251 -10.525 0.315 1.00 61.41 N ATOM 1536 CZ ARG A 93 -3.583 -10.666 0.396 1.00 3.31 C ATOM 1537 NH1 ARG A 93 -4.360 -9.629 0.702 1.00 52.21 N ATOM 1538 NH2 ARG A 93 -4.136 -11.855 0.196 1.00 12.24 N ATOM 0 H ARG A 93 1.407 -10.133 -3.492 1.00 34.12 H new ATOM 0 HA ARG A 93 2.237 -8.584 -1.192 1.00 73.43 H new ATOM 0 HB2 ARG A 93 -0.156 -8.707 -1.816 1.00 34.03 H new ATOM 0 HB3 ARG A 93 -0.142 -10.448 -1.610 1.00 34.03 H new ATOM 0 HG2 ARG A 93 0.391 -10.180 0.805 1.00 32.22 H new ATOM 0 HG3 ARG A 93 0.452 -8.439 0.615 1.00 32.22 H new ATOM 0 HD2 ARG A 93 -1.668 -8.959 1.588 1.00 21.12 H new ATOM 0 HD3 ARG A 93 -1.973 -8.478 -0.070 1.00 21.12 H new ATOM 0 HE ARG A 93 -1.699 -11.349 0.075 1.00 61.41 H new ATOM 0 HH11 ARG A 93 -3.944 -8.714 0.878 1.00 52.21 H new ATOM 0 HH12 ARG A 93 -5.371 -9.749 0.760 1.00 52.21 H new ATOM 0 HH21 ARG A 93 -3.549 -12.661 -0.019 1.00 12.24 H new ATOM 0 HH22 ARG A 93 -5.148 -11.963 0.257 1.00 12.24 H new ATOM 1552 N THR A 94 3.228 -10.291 0.316 1.00 52.43 N ATOM 1553 CA THR A 94 3.738 -11.199 1.336 1.00 75.04 C ATOM 1554 C THR A 94 3.391 -10.602 2.705 1.00 24.12 C ATOM 1555 O THR A 94 3.984 -9.599 3.103 1.00 22.33 O ATOM 1556 CB THR A 94 5.284 -11.385 1.197 1.00 11.21 C ATOM 1557 OG1 THR A 94 5.591 -11.876 -0.120 1.00 54.31 O ATOM 1558 CG2 THR A 94 5.851 -12.351 2.257 1.00 42.44 C ATOM 0 H THR A 94 3.497 -9.319 0.471 1.00 52.43 H new ATOM 0 HA THR A 94 3.283 -12.183 1.221 1.00 75.04 H new ATOM 0 HB THR A 94 5.751 -10.413 1.356 1.00 11.21 H new ATOM 0 HG1 THR A 94 6.560 -11.991 -0.208 1.00 54.31 H new ATOM 0 HG21 THR A 94 6.928 -12.449 2.121 1.00 42.44 H new ATOM 0 HG22 THR A 94 5.645 -11.959 3.253 1.00 42.44 H new ATOM 0 HG23 THR A 94 5.381 -13.328 2.147 1.00 42.44 H new ATOM 1566 N VAL A 95 2.408 -11.182 3.412 1.00 35.43 N ATOM 1567 CA VAL A 95 2.066 -10.714 4.762 1.00 14.44 C ATOM 1568 C VAL A 95 3.175 -11.167 5.739 1.00 63.13 C ATOM 1569 O VAL A 95 3.393 -12.363 5.957 1.00 61.21 O ATOM 1570 CB VAL A 95 0.633 -11.175 5.224 1.00 64.33 C ATOM 1571 CG1 VAL A 95 0.440 -12.708 5.135 1.00 1.40 C ATOM 1572 CG2 VAL A 95 0.307 -10.629 6.641 1.00 40.32 C ATOM 0 H VAL A 95 1.845 -11.964 3.077 1.00 35.43 H new ATOM 0 HA VAL A 95 2.018 -9.625 4.754 1.00 14.44 H new ATOM 0 HB VAL A 95 -0.084 -10.744 4.525 1.00 64.33 H new ATOM 0 HG11 VAL A 95 -0.566 -12.968 5.466 1.00 1.40 H new ATOM 0 HG12 VAL A 95 0.578 -13.033 4.104 1.00 1.40 H new ATOM 0 HG13 VAL A 95 1.171 -13.204 5.773 1.00 1.40 H new ATOM 0 HG21 VAL A 95 -0.688 -10.960 6.939 1.00 40.32 H new ATOM 0 HG22 VAL A 95 1.042 -11.003 7.353 1.00 40.32 H new ATOM 0 HG23 VAL A 95 0.337 -9.540 6.627 1.00 40.32 H new ATOM 1582 N ARG A 96 3.923 -10.181 6.254 1.00 52.04 N ATOM 1583 CA ARG A 96 5.157 -10.427 7.019 1.00 70.42 C ATOM 1584 C ARG A 96 4.835 -10.846 8.470 1.00 53.32 C ATOM 1585 O ARG A 96 5.629 -11.545 9.121 1.00 75.42 O ATOM 1586 CB ARG A 96 6.044 -9.152 6.984 1.00 60.54 C ATOM 1587 CG ARG A 96 7.502 -9.372 7.438 1.00 2.52 C ATOM 1588 CD ARG A 96 8.293 -10.279 6.471 1.00 4.13 C ATOM 1589 NE ARG A 96 9.578 -10.722 7.051 1.00 52.41 N ATOM 1590 CZ ARG A 96 10.749 -10.776 6.411 1.00 63.22 C ATOM 1591 NH1 ARG A 96 10.853 -10.397 5.139 1.00 21.25 N ATOM 1592 NH2 ARG A 96 11.818 -11.216 7.053 1.00 42.41 N ATOM 0 H ARG A 96 3.692 -9.193 6.153 1.00 52.04 H new ATOM 0 HA ARG A 96 5.704 -11.251 6.562 1.00 70.42 H new ATOM 0 HB2 ARG A 96 6.049 -8.757 5.968 1.00 60.54 H new ATOM 0 HB3 ARG A 96 5.590 -8.392 7.620 1.00 60.54 H new ATOM 0 HG2 ARG A 96 8.003 -8.408 7.518 1.00 2.52 H new ATOM 0 HG3 ARG A 96 7.506 -9.817 8.433 1.00 2.52 H new ATOM 0 HD2 ARG A 96 7.690 -11.151 6.218 1.00 4.13 H new ATOM 0 HD3 ARG A 96 8.481 -9.741 5.542 1.00 4.13 H new ATOM 0 HE ARG A 96 9.570 -11.013 8.029 1.00 52.41 H new ATOM 0 HH11 ARG A 96 10.031 -10.059 4.639 1.00 21.25 H new ATOM 0 HH12 ARG A 96 11.755 -10.444 4.665 1.00 21.25 H new ATOM 0 HH21 ARG A 96 11.743 -11.510 8.027 1.00 42.41 H new ATOM 0 HH22 ARG A 96 12.718 -11.262 6.574 1.00 42.41 H new ATOM 1606 N THR A 97 3.668 -10.406 8.968 1.00 11.41 N ATOM 1607 CA THR A 97 3.190 -10.759 10.312 1.00 1.23 C ATOM 1608 C THR A 97 2.613 -12.187 10.364 1.00 4.41 C ATOM 1609 O THR A 97 1.805 -12.580 9.514 1.00 34.30 O ATOM 1610 CB THR A 97 2.141 -9.721 10.815 1.00 4.24 C ATOM 1611 OG1 THR A 97 2.786 -8.450 10.960 1.00 12.20 O ATOM 1612 CG2 THR A 97 1.486 -10.099 12.160 1.00 32.33 C ATOM 0 H THR A 97 3.032 -9.798 8.451 1.00 11.41 H new ATOM 0 HA THR A 97 4.052 -10.734 10.979 1.00 1.23 H new ATOM 0 HB THR A 97 1.343 -9.694 10.073 1.00 4.24 H new ATOM 0 HG1 THR A 97 2.860 -8.227 11.911 1.00 12.20 H new ATOM 0 HG21 THR A 97 0.768 -9.329 12.444 1.00 32.33 H new ATOM 0 HG22 THR A 97 0.972 -11.055 12.058 1.00 32.33 H new ATOM 0 HG23 THR A 97 2.254 -10.180 12.929 1.00 32.33 H new ATOM 1620 N GLU A 98 3.060 -12.940 11.386 1.00 20.41 N ATOM 1621 CA GLU A 98 2.605 -14.309 11.670 1.00 14.40 C ATOM 1622 C GLU A 98 1.469 -14.289 12.719 1.00 24.40 C ATOM 1623 O GLU A 98 1.709 -14.139 13.923 1.00 44.10 O ATOM 1624 CB GLU A 98 3.815 -15.175 12.134 1.00 21.11 C ATOM 1625 CG GLU A 98 4.719 -14.528 13.220 1.00 20.42 C ATOM 1626 CD GLU A 98 5.896 -15.403 13.681 1.00 61.14 C ATOM 1627 OE1 GLU A 98 6.569 -16.023 12.827 1.00 4.44 O ATOM 1628 OE2 GLU A 98 6.185 -15.443 14.894 1.00 40.40 O ATOM 0 H GLU A 98 3.760 -12.606 12.048 1.00 20.41 H new ATOM 0 HA GLU A 98 2.199 -14.758 10.764 1.00 14.40 H new ATOM 0 HB2 GLU A 98 3.436 -16.122 12.518 1.00 21.11 H new ATOM 0 HB3 GLU A 98 4.430 -15.406 11.264 1.00 21.11 H new ATOM 0 HG2 GLU A 98 5.113 -13.588 12.833 1.00 20.42 H new ATOM 0 HG3 GLU A 98 4.104 -14.284 14.086 1.00 20.42 H new ATOM 1635 N VAL A 99 0.215 -14.358 12.239 1.00 10.53 N ATOM 1636 CA VAL A 99 -0.975 -14.415 13.107 1.00 51.12 C ATOM 1637 C VAL A 99 -1.450 -15.874 13.216 1.00 44.01 C ATOM 1638 O VAL A 99 -1.780 -16.503 12.202 1.00 30.45 O ATOM 1639 CB VAL A 99 -2.145 -13.504 12.576 1.00 22.14 C ATOM 1640 CG1 VAL A 99 -3.394 -13.567 13.496 1.00 53.42 C ATOM 1641 CG2 VAL A 99 -1.675 -12.043 12.378 1.00 74.41 C ATOM 0 H VAL A 99 -0.002 -14.376 11.243 1.00 10.53 H new ATOM 0 HA VAL A 99 -0.694 -14.034 14.089 1.00 51.12 H new ATOM 0 HB VAL A 99 -2.439 -13.898 11.603 1.00 22.14 H new ATOM 0 HG11 VAL A 99 -4.176 -12.924 13.092 1.00 53.42 H new ATOM 0 HG12 VAL A 99 -3.758 -14.593 13.546 1.00 53.42 H new ATOM 0 HG13 VAL A 99 -3.126 -13.228 14.497 1.00 53.42 H new ATOM 0 HG21 VAL A 99 -2.506 -11.440 12.011 1.00 74.41 H new ATOM 0 HG22 VAL A 99 -1.327 -11.641 13.329 1.00 74.41 H new ATOM 0 HG23 VAL A 99 -0.861 -12.018 11.654 1.00 74.41 H new ATOM 1651 N GLY A 100 -1.457 -16.403 14.446 1.00 61.32 N ATOM 1652 CA GLY A 100 -1.915 -17.763 14.725 1.00 5.14 C ATOM 1653 C GLY A 100 -2.187 -17.966 16.205 1.00 43.42 C ATOM 1654 O GLY A 100 -1.556 -17.315 17.048 1.00 30.11 O ATOM 0 H GLY A 100 -1.144 -15.897 15.274 1.00 61.32 H new ATOM 0 HA2 GLY A 100 -2.822 -17.966 14.156 1.00 5.14 H new ATOM 0 HA3 GLY A 100 -1.162 -18.477 14.391 1.00 5.14 H new ATOM 1658 N SER A 101 -3.125 -18.868 16.535 1.00 25.23 N ATOM 1659 CA SER A 101 -3.474 -19.196 17.928 1.00 63.04 C ATOM 1660 C SER A 101 -3.975 -20.647 18.012 1.00 61.01 C ATOM 1661 O SER A 101 -4.730 -21.101 17.146 1.00 11.44 O ATOM 1662 CB SER A 101 -4.538 -18.208 18.464 1.00 32.54 C ATOM 1663 OG SER A 101 -5.698 -18.182 17.635 1.00 1.11 O ATOM 0 H SER A 101 -3.663 -19.391 15.844 1.00 25.23 H new ATOM 0 HA SER A 101 -2.585 -19.101 18.552 1.00 63.04 H new ATOM 0 HB2 SER A 101 -4.821 -18.492 19.477 1.00 32.54 H new ATOM 0 HB3 SER A 101 -4.109 -17.207 18.522 1.00 32.54 H new ATOM 0 HG SER A 101 -6.349 -17.549 18.004 1.00 1.11 H new ATOM 1669 N SER A 102 -3.556 -21.364 19.061 1.00 50.30 N ATOM 1670 CA SER A 102 -3.850 -22.791 19.243 1.00 14.10 C ATOM 1671 C SER A 102 -4.232 -23.056 20.715 1.00 45.02 C ATOM 1672 O SER A 102 -3.854 -24.075 21.307 1.00 30.01 O ATOM 1673 CB SER A 102 -2.603 -23.597 18.793 1.00 45.33 C ATOM 1674 OG SER A 102 -2.847 -24.992 18.710 1.00 0.42 O ATOM 0 H SER A 102 -2.997 -20.966 19.816 1.00 50.30 H new ATOM 0 HA SER A 102 -4.699 -23.106 18.637 1.00 14.10 H new ATOM 0 HB2 SER A 102 -2.273 -23.233 17.820 1.00 45.33 H new ATOM 0 HB3 SER A 102 -1.788 -23.417 19.494 1.00 45.33 H new ATOM 0 HG SER A 102 -3.285 -25.297 19.532 1.00 0.42 H new ATOM 1680 N TRP A 103 -5.010 -22.115 21.287 1.00 52.23 N ATOM 1681 CA TRP A 103 -5.478 -22.180 22.680 1.00 60.43 C ATOM 1682 C TRP A 103 -6.523 -23.306 22.835 1.00 60.24 C ATOM 1683 O TRP A 103 -7.711 -23.116 22.572 1.00 2.11 O ATOM 1684 CB TRP A 103 -6.038 -20.796 23.109 1.00 71.44 C ATOM 1685 CG TRP A 103 -6.405 -20.664 24.574 1.00 52.33 C ATOM 1686 CD1 TRP A 103 -5.726 -21.175 25.654 1.00 74.03 C ATOM 1687 CD2 TRP A 103 -7.517 -19.932 25.122 1.00 65.35 C ATOM 1688 NE1 TRP A 103 -6.356 -20.821 26.820 1.00 75.11 N ATOM 1689 CE2 TRP A 103 -7.455 -20.060 26.522 1.00 23.05 C ATOM 1690 CE3 TRP A 103 -8.566 -19.194 24.559 1.00 42.42 C ATOM 1691 CZ2 TRP A 103 -8.388 -19.466 27.368 1.00 63.02 C ATOM 1692 CZ3 TRP A 103 -9.492 -18.605 25.401 1.00 72.25 C ATOM 1693 CH2 TRP A 103 -9.401 -18.748 26.792 1.00 35.14 C ATOM 0 H TRP A 103 -5.331 -21.285 20.789 1.00 52.23 H new ATOM 0 HA TRP A 103 -4.645 -22.419 23.341 1.00 60.43 H new ATOM 0 HB2 TRP A 103 -5.297 -20.034 22.868 1.00 71.44 H new ATOM 0 HB3 TRP A 103 -6.923 -20.581 22.510 1.00 71.44 H new ATOM 0 HD1 TRP A 103 -4.826 -21.769 25.594 1.00 74.03 H new ATOM 0 HE1 TRP A 103 -6.054 -21.083 27.759 1.00 75.11 H new ATOM 0 HE3 TRP A 103 -8.650 -19.087 23.488 1.00 42.42 H new ATOM 0 HZ2 TRP A 103 -8.315 -19.568 28.441 1.00 63.02 H new ATOM 0 HZ3 TRP A 103 -10.299 -18.025 24.979 1.00 72.25 H new ATOM 0 HH2 TRP A 103 -10.145 -18.283 27.422 1.00 35.14 H new ATOM 1704 N SER A 104 -6.047 -24.494 23.212 1.00 45.05 N ATOM 1705 CA SER A 104 -6.873 -25.694 23.338 1.00 54.13 C ATOM 1706 C SER A 104 -7.455 -25.794 24.755 1.00 24.31 C ATOM 1707 O SER A 104 -6.758 -26.202 25.688 1.00 33.32 O ATOM 1708 CB SER A 104 -6.019 -26.928 22.985 1.00 10.55 C ATOM 1709 OG SER A 104 -6.781 -28.124 22.945 1.00 73.00 O ATOM 0 H SER A 104 -5.065 -24.651 23.441 1.00 45.05 H new ATOM 0 HA SER A 104 -7.714 -25.643 22.647 1.00 54.13 H new ATOM 0 HB2 SER A 104 -5.544 -26.772 22.017 1.00 10.55 H new ATOM 0 HB3 SER A 104 -5.220 -27.035 23.719 1.00 10.55 H new ATOM 0 HG SER A 104 -6.197 -28.877 22.716 1.00 73.00 H new ATOM 1715 N LEU A 105 -8.723 -25.375 24.920 1.00 72.31 N ATOM 1716 CA LEU A 105 -9.419 -25.447 26.209 1.00 40.35 C ATOM 1717 C LEU A 105 -9.880 -26.896 26.464 1.00 13.03 C ATOM 1718 O LEU A 105 -10.943 -27.317 25.993 1.00 2.33 O ATOM 1719 CB LEU A 105 -10.622 -24.461 26.280 1.00 0.45 C ATOM 1720 CG LEU A 105 -10.291 -22.943 26.027 1.00 31.23 C ATOM 1721 CD1 LEU A 105 -10.288 -22.589 24.521 1.00 73.41 C ATOM 1722 CD2 LEU A 105 -11.241 -22.016 26.824 1.00 45.34 C ATOM 0 H LEU A 105 -9.287 -24.980 24.167 1.00 72.31 H new ATOM 0 HA LEU A 105 -8.721 -25.146 26.990 1.00 40.35 H new ATOM 0 HB2 LEU A 105 -11.367 -24.776 25.549 1.00 0.45 H new ATOM 0 HB3 LEU A 105 -11.082 -24.552 27.264 1.00 0.45 H new ATOM 0 HG LEU A 105 -9.279 -22.775 26.394 1.00 31.23 H new ATOM 0 HD11 LEU A 105 -10.055 -21.532 24.396 1.00 73.41 H new ATOM 0 HD12 LEU A 105 -9.537 -23.189 24.008 1.00 73.41 H new ATOM 0 HD13 LEU A 105 -11.270 -22.796 24.097 1.00 73.41 H new ATOM 0 HD21 LEU A 105 -10.984 -20.975 26.626 1.00 45.34 H new ATOM 0 HD22 LEU A 105 -12.271 -22.200 26.518 1.00 45.34 H new ATOM 0 HD23 LEU A 105 -11.138 -22.219 27.890 1.00 45.34 H new ATOM 1734 N GLU A 106 -9.037 -27.668 27.178 1.00 63.31 N ATOM 1735 CA GLU A 106 -9.304 -29.086 27.486 1.00 74.25 C ATOM 1736 C GLU A 106 -9.885 -29.228 28.912 1.00 22.12 C ATOM 1737 O GLU A 106 -9.683 -30.252 29.582 1.00 3.05 O ATOM 1738 CB GLU A 106 -7.994 -29.902 27.306 1.00 23.22 C ATOM 1739 CG GLU A 106 -7.382 -29.800 25.893 1.00 65.11 C ATOM 1740 CD GLU A 106 -6.200 -30.754 25.668 1.00 10.25 C ATOM 1741 OE1 GLU A 106 -6.434 -31.934 25.324 1.00 71.54 O ATOM 1742 OE2 GLU A 106 -5.034 -30.339 25.849 1.00 24.03 O ATOM 0 H GLU A 106 -8.154 -27.326 27.557 1.00 63.31 H new ATOM 0 HA GLU A 106 -10.051 -29.482 26.798 1.00 74.25 H new ATOM 0 HB2 GLU A 106 -7.260 -29.558 28.035 1.00 23.22 H new ATOM 0 HB3 GLU A 106 -8.197 -30.950 27.529 1.00 23.22 H new ATOM 0 HG2 GLU A 106 -8.155 -30.012 25.154 1.00 65.11 H new ATOM 0 HG3 GLU A 106 -7.050 -28.776 25.722 1.00 65.11 H new ATOM 1749 N HIS A 107 -10.631 -28.185 29.360 1.00 33.43 N ATOM 1750 CA HIS A 107 -11.316 -28.190 30.665 1.00 64.25 C ATOM 1751 C HIS A 107 -12.499 -29.172 30.639 1.00 0.04 C ATOM 1752 O HIS A 107 -13.595 -28.840 30.178 1.00 12.30 O ATOM 1753 CB HIS A 107 -11.782 -26.757 31.060 1.00 43.44 C ATOM 1754 CG HIS A 107 -12.604 -26.681 32.332 1.00 1.55 C ATOM 1755 ND1 HIS A 107 -12.051 -26.657 33.599 1.00 45.02 N ATOM 1756 CD2 HIS A 107 -13.949 -26.620 32.523 1.00 23.23 C ATOM 1757 CE1 HIS A 107 -13.010 -26.598 34.500 1.00 73.02 C ATOM 1758 NE2 HIS A 107 -14.168 -26.569 33.877 1.00 74.12 N ATOM 0 H HIS A 107 -10.770 -27.327 28.826 1.00 33.43 H new ATOM 0 HA HIS A 107 -10.609 -28.523 31.425 1.00 64.25 H new ATOM 0 HB2 HIS A 107 -10.903 -26.123 31.175 1.00 43.44 H new ATOM 0 HB3 HIS A 107 -12.369 -26.343 30.240 1.00 43.44 H new ATOM 0 HD2 HIS A 107 -14.705 -26.613 31.752 1.00 23.23 H new ATOM 0 HE1 HIS A 107 -12.869 -26.577 35.571 1.00 73.02 H new ATOM 0 HE2 HIS A 107 -15.082 -26.517 34.328 1.00 74.12 H new ATOM 1767 N HIS A 108 -12.242 -30.403 31.087 1.00 5.33 N ATOM 1768 CA HIS A 108 -13.305 -31.390 31.352 1.00 74.42 C ATOM 1769 C HIS A 108 -13.928 -31.121 32.732 1.00 73.41 C ATOM 1770 O HIS A 108 -13.322 -30.452 33.575 1.00 32.04 O ATOM 1771 CB HIS A 108 -12.769 -32.836 31.221 1.00 53.20 C ATOM 1772 CG HIS A 108 -11.489 -33.118 31.963 1.00 62.45 C ATOM 1773 ND1 HIS A 108 -10.263 -33.158 31.341 1.00 4.02 N ATOM 1774 CD2 HIS A 108 -11.253 -33.394 33.267 1.00 61.44 C ATOM 1775 CE1 HIS A 108 -9.332 -33.446 32.222 1.00 13.32 C ATOM 1776 NE2 HIS A 108 -9.904 -33.594 33.400 1.00 12.14 N ATOM 0 H HIS A 108 -11.301 -30.747 31.277 1.00 5.33 H new ATOM 0 HA HIS A 108 -14.089 -31.283 30.602 1.00 74.42 H new ATOM 0 HB2 HIS A 108 -13.536 -33.524 31.578 1.00 53.20 H new ATOM 0 HB3 HIS A 108 -12.613 -33.054 30.164 1.00 53.20 H new ATOM 0 HD2 HIS A 108 -11.990 -33.447 34.055 1.00 61.44 H new ATOM 0 HE1 HIS A 108 -8.276 -33.545 32.016 1.00 13.32 H new ATOM 0 HE2 HIS A 108 -9.421 -33.821 34.269 1.00 12.14 H new ATOM 1785 N HIS A 109 -15.130 -31.658 32.950 1.00 12.32 N ATOM 1786 CA HIS A 109 -15.978 -31.305 34.106 1.00 64.13 C ATOM 1787 C HIS A 109 -16.567 -32.567 34.758 1.00 2.32 C ATOM 1788 O HIS A 109 -16.660 -33.610 34.116 1.00 20.02 O ATOM 1789 CB HIS A 109 -17.099 -30.340 33.650 1.00 0.34 C ATOM 1790 CG HIS A 109 -17.979 -30.882 32.548 1.00 44.32 C ATOM 1791 ND1 HIS A 109 -19.151 -31.557 32.789 1.00 51.54 N ATOM 1792 CD2 HIS A 109 -17.831 -30.868 31.202 1.00 64.32 C ATOM 1793 CE1 HIS A 109 -19.688 -31.935 31.645 1.00 50.23 C ATOM 1794 NE2 HIS A 109 -18.908 -31.525 30.665 1.00 5.13 N ATOM 0 H HIS A 109 -15.550 -32.352 32.332 1.00 12.32 H new ATOM 0 HA HIS A 109 -15.366 -30.804 34.856 1.00 64.13 H new ATOM 0 HB2 HIS A 109 -17.723 -30.095 34.510 1.00 0.34 H new ATOM 0 HB3 HIS A 109 -16.645 -29.409 33.311 1.00 0.34 H new ATOM 0 HD2 HIS A 109 -17.015 -30.422 30.653 1.00 64.32 H new ATOM 0 HE1 HIS A 109 -20.610 -32.486 31.531 1.00 50.23 H new ATOM 0 HE2 HIS A 109 -19.078 -31.672 29.670 1.00 5.13 H new ATOM 1803 N HIS A 110 -16.984 -32.462 36.038 1.00 43.14 N ATOM 1804 CA HIS A 110 -17.463 -33.616 36.829 1.00 43.24 C ATOM 1805 C HIS A 110 -18.652 -33.224 37.742 1.00 32.23 C ATOM 1806 O HIS A 110 -18.546 -32.292 38.539 1.00 71.44 O ATOM 1807 CB HIS A 110 -16.299 -34.219 37.678 1.00 11.35 C ATOM 1808 CG HIS A 110 -15.680 -33.267 38.668 1.00 3.41 C ATOM 1809 ND1 HIS A 110 -16.059 -33.212 39.987 1.00 40.30 N ATOM 1810 CD2 HIS A 110 -14.718 -32.329 38.520 1.00 13.30 C ATOM 1811 CE1 HIS A 110 -15.365 -32.282 40.603 1.00 12.45 C ATOM 1812 NE2 HIS A 110 -14.538 -31.732 39.738 1.00 33.31 N ATOM 0 H HIS A 110 -16.998 -31.580 36.550 1.00 43.14 H new ATOM 0 HA HIS A 110 -17.816 -34.373 36.129 1.00 43.24 H new ATOM 0 HB2 HIS A 110 -16.674 -35.089 38.217 1.00 11.35 H new ATOM 0 HB3 HIS A 110 -15.521 -34.574 37.002 1.00 11.35 H new ATOM 0 HD2 HIS A 110 -14.189 -32.094 37.608 1.00 13.30 H new ATOM 0 HE1 HIS A 110 -15.457 -32.013 41.645 1.00 12.45 H new ATOM 0 HE2 HIS A 110 -13.874 -30.985 39.942 1.00 33.31 H new ATOM 1821 N HIS A 111 -19.790 -33.931 37.588 1.00 63.31 N ATOM 1822 CA HIS A 111 -20.964 -33.843 38.493 1.00 24.11 C ATOM 1823 C HIS A 111 -21.693 -35.198 38.512 1.00 63.52 C ATOM 1824 O HIS A 111 -21.472 -36.038 37.636 1.00 31.42 O ATOM 1825 CB HIS A 111 -21.944 -32.703 38.074 1.00 13.44 C ATOM 1826 CG HIS A 111 -21.512 -31.322 38.504 1.00 60.52 C ATOM 1827 ND1 HIS A 111 -21.357 -30.257 37.638 1.00 23.04 N ATOM 1828 CD2 HIS A 111 -21.196 -30.848 39.730 1.00 64.14 C ATOM 1829 CE1 HIS A 111 -20.973 -29.192 38.320 1.00 72.34 C ATOM 1830 NE2 HIS A 111 -20.866 -29.527 39.586 1.00 5.54 N ATOM 0 H HIS A 111 -19.926 -34.590 36.821 1.00 63.31 H new ATOM 0 HA HIS A 111 -20.605 -33.601 39.493 1.00 24.11 H new ATOM 0 HB2 HIS A 111 -22.054 -32.715 36.990 1.00 13.44 H new ATOM 0 HB3 HIS A 111 -22.927 -32.911 38.497 1.00 13.44 H new ATOM 0 HD2 HIS A 111 -21.203 -31.408 40.653 1.00 64.14 H new ATOM 0 HE1 HIS A 111 -20.780 -28.213 37.907 1.00 72.34 H new ATOM 0 HE2 HIS A 111 -20.582 -28.903 40.341 1.00 5.54 H new ATOM 1839 N HIS A 112 -22.543 -35.411 39.523 1.00 13.33 N ATOM 1840 CA HIS A 112 -23.303 -36.655 39.691 1.00 44.01 C ATOM 1841 C HIS A 112 -24.574 -36.338 40.514 1.00 13.25 C ATOM 1842 O HIS A 112 -24.572 -36.513 41.752 1.00 20.31 O ATOM 1843 CB HIS A 112 -22.410 -37.733 40.374 1.00 31.23 C ATOM 1844 CG HIS A 112 -23.042 -39.098 40.475 1.00 24.23 C ATOM 1845 ND1 HIS A 112 -23.911 -39.455 41.484 1.00 14.34 N ATOM 1846 CD2 HIS A 112 -22.927 -40.190 39.683 1.00 13.11 C ATOM 1847 CE1 HIS A 112 -24.300 -40.698 41.309 1.00 52.42 C ATOM 1848 NE2 HIS A 112 -23.718 -41.168 40.228 1.00 2.15 N ATOM 1849 OXT HIS A 112 -25.553 -35.849 39.920 1.00 38.08 O ATOM 0 H HIS A 112 -22.724 -34.721 40.252 1.00 13.33 H new ATOM 0 HA HIS A 112 -23.607 -37.061 38.726 1.00 44.01 H new ATOM 0 HB2 HIS A 112 -21.477 -37.819 39.817 1.00 31.23 H new ATOM 0 HB3 HIS A 112 -22.153 -37.391 41.376 1.00 31.23 H new ATOM 0 HD2 HIS A 112 -22.325 -40.275 38.790 1.00 13.11 H new ATOM 0 HE1 HIS A 112 -24.982 -41.242 41.946 1.00 52.42 H new ATOM 0 HE2 HIS A 112 -23.836 -42.110 39.854 1.00 2.15 H new TER 1858 HIS A 112