USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 544 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 157:sc= -0.0932 (180deg=-0.654) USER MOD Single : A 94 LYS NZ :NH3+ -161:sc= -0.0833 (180deg=-0.56) USER MOD Single : A 96 GLN : amide:sc=-0.00278 K(o=-0.0028,f=-0.97) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.171 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -0.558 K(o=-0.56,f=-2) USER MOD Single : A 115 LYS NZ :NH3+ 148:sc= -0.249 (180deg=-1.34!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0928) USER MOD Single : A 135 GLN : amide:sc= -0.0644 K(o=-0.064,f=-1.3!) USER MOD Single : A 137 ASN : amide:sc= -2.52 K(o=-2.5,f=-6!) USER MOD Single : A 138 TYR OH : rot 84:sc= -0.661 USER MOD Single : A 143 LYS NZ :NH3+ 131:sc= -0.0239 (180deg=-0.431) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 168:sc= 0 (180deg=-0.369) USER MOD Single : A 146 MET CE :methyl -132:sc= -0.0907 (180deg=-0.719) USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.00548 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -18.619 -7.240 4.745 1.00 0.00 N ATOM 2 CA ASP A 80 -17.521 -8.247 4.775 1.00 0.00 C ATOM 3 C ASP A 80 -16.283 -7.688 4.084 1.00 0.00 C ATOM 4 O ASP A 80 -15.411 -7.114 4.734 1.00 0.00 O ATOM 5 CB ASP A 80 -17.987 -9.527 4.080 1.00 0.00 C ATOM 6 CG ASP A 80 -18.689 -9.184 2.771 1.00 0.00 C ATOM 7 OD1 ASP A 80 -19.613 -8.389 2.808 1.00 0.00 O ATOM 8 OD2 ASP A 80 -18.290 -9.721 1.751 1.00 0.00 O ATOM 0 HA ASP A 80 -17.265 -8.476 5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -17.133 -10.176 3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -18.665 -10.078 4.732 1.00 0.00 H new ATOM 15 N ALA A 81 -16.203 -7.858 2.769 1.00 0.00 N ATOM 16 CA ALA A 81 -15.053 -7.362 2.026 1.00 0.00 C ATOM 17 C ALA A 81 -14.730 -5.940 2.466 1.00 0.00 C ATOM 18 O ALA A 81 -13.572 -5.599 2.695 1.00 0.00 O ATOM 19 CB ALA A 81 -15.339 -7.392 0.523 1.00 0.00 C ATOM 0 H ALA A 81 -16.910 -8.328 2.203 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.197 -8.004 2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.471 -7.019 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -15.548 -8.416 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.202 -6.763 0.304 1.00 0.00 H new ATOM 25 N GLU A 82 -15.760 -5.110 2.588 1.00 0.00 N ATOM 26 CA GLU A 82 -15.557 -3.733 3.004 1.00 0.00 C ATOM 27 C GLU A 82 -15.036 -3.674 4.437 1.00 0.00 C ATOM 28 O GLU A 82 -14.171 -2.863 4.760 1.00 0.00 O ATOM 29 CB GLU A 82 -16.875 -2.950 2.892 1.00 0.00 C ATOM 30 CG GLU A 82 -16.567 -1.467 2.692 1.00 0.00 C ATOM 31 CD GLU A 82 -15.788 -0.937 3.892 1.00 0.00 C ATOM 32 OE1 GLU A 82 -16.129 -1.306 5.004 1.00 0.00 O ATOM 33 OE2 GLU A 82 -14.860 -0.175 3.680 1.00 0.00 O ATOM 0 H GLU A 82 -16.731 -5.365 2.407 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.814 -3.280 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.465 -3.326 2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.472 -3.091 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.988 -1.326 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -17.494 -0.906 2.571 1.00 0.00 H new ATOM 40 N GLU A 83 -15.557 -4.548 5.290 1.00 0.00 N ATOM 41 CA GLU A 83 -15.108 -4.577 6.673 1.00 0.00 C ATOM 42 C GLU A 83 -13.639 -4.977 6.707 1.00 0.00 C ATOM 43 O GLU A 83 -12.769 -4.159 7.005 1.00 0.00 O ATOM 44 CB GLU A 83 -15.946 -5.565 7.490 1.00 0.00 C ATOM 45 CG GLU A 83 -15.532 -5.489 8.960 1.00 0.00 C ATOM 46 CD GLU A 83 -16.414 -6.410 9.793 1.00 0.00 C ATOM 47 OE1 GLU A 83 -17.122 -7.210 9.205 1.00 0.00 O ATOM 48 OE2 GLU A 83 -16.371 -6.302 11.008 1.00 0.00 O ATOM 0 H GLU A 83 -16.276 -5.232 5.054 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.229 -3.587 7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.006 -5.332 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.804 -6.578 7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.486 -5.776 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.620 -4.464 9.319 1.00 0.00 H new ATOM 55 N GLU A 84 -13.364 -6.240 6.399 1.00 0.00 N ATOM 56 CA GLU A 84 -11.989 -6.727 6.399 1.00 0.00 C ATOM 57 C GLU A 84 -11.065 -5.717 5.725 1.00 0.00 C ATOM 58 O GLU A 84 -9.915 -5.554 6.132 1.00 0.00 O ATOM 59 CB GLU A 84 -11.905 -8.072 5.669 1.00 0.00 C ATOM 60 CG GLU A 84 -12.738 -9.114 6.419 1.00 0.00 C ATOM 61 CD GLU A 84 -12.133 -9.381 7.794 1.00 0.00 C ATOM 62 OE1 GLU A 84 -10.968 -9.070 7.975 1.00 0.00 O ATOM 63 OE2 GLU A 84 -12.842 -9.892 8.643 1.00 0.00 O ATOM 0 H GLU A 84 -14.065 -6.938 6.149 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.671 -6.860 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.270 -7.966 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.867 -8.399 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.764 -8.761 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.778 -10.040 5.845 1.00 0.00 H new ATOM 70 N LEU A 85 -11.564 -5.035 4.696 1.00 0.00 N ATOM 71 CA LEU A 85 -10.746 -4.052 3.997 1.00 0.00 C ATOM 72 C LEU A 85 -10.338 -2.931 4.949 1.00 0.00 C ATOM 73 O LEU A 85 -9.181 -2.513 4.968 1.00 0.00 O ATOM 74 CB LEU A 85 -11.514 -3.470 2.798 1.00 0.00 C ATOM 75 CG LEU A 85 -10.655 -2.405 2.093 1.00 0.00 C ATOM 76 CD1 LEU A 85 -9.326 -3.028 1.636 1.00 0.00 C ATOM 77 CD2 LEU A 85 -11.413 -1.849 0.879 1.00 0.00 C ATOM 0 H LEU A 85 -12.512 -5.143 4.335 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.848 -4.548 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.770 -4.265 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.452 -3.029 3.135 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.448 -1.592 2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.721 -2.270 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.787 -3.411 2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.526 -3.846 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.802 -1.095 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.628 -2.659 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.348 -1.397 1.210 1.00 0.00 H new ATOM 89 N LYS A 86 -11.287 -2.445 5.741 1.00 0.00 N ATOM 90 CA LYS A 86 -10.985 -1.378 6.684 1.00 0.00 C ATOM 91 C LYS A 86 -9.953 -1.848 7.704 1.00 0.00 C ATOM 92 O LYS A 86 -9.036 -1.109 8.061 1.00 0.00 O ATOM 93 CB LYS A 86 -12.255 -0.926 7.400 1.00 0.00 C ATOM 94 CG LYS A 86 -13.154 -0.163 6.422 1.00 0.00 C ATOM 95 CD LYS A 86 -14.469 0.219 7.119 1.00 0.00 C ATOM 96 CE LYS A 86 -14.243 1.424 8.039 1.00 0.00 C ATOM 97 NZ LYS A 86 -15.557 1.967 8.474 1.00 0.00 N ATOM 0 H LYS A 86 -12.255 -2.767 5.749 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.574 -0.534 6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.786 -1.790 7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.000 -0.289 8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.645 0.733 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.361 -0.779 5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.229 0.457 6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.842 -0.626 7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.654 1.127 8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.674 2.193 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.405 2.785 9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.103 2.265 7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.083 1.232 8.988 1.00 0.00 H new ATOM 111 N GLU A 87 -10.096 -3.088 8.160 1.00 0.00 N ATOM 112 CA GLU A 87 -9.154 -3.636 9.129 1.00 0.00 C ATOM 113 C GLU A 87 -7.784 -3.814 8.480 1.00 0.00 C ATOM 114 O GLU A 87 -6.768 -3.366 9.011 1.00 0.00 O ATOM 115 CB GLU A 87 -9.664 -4.975 9.656 1.00 0.00 C ATOM 116 CG GLU A 87 -8.738 -5.467 10.768 1.00 0.00 C ATOM 117 CD GLU A 87 -9.298 -6.740 11.391 1.00 0.00 C ATOM 118 OE1 GLU A 87 -10.207 -7.311 10.810 1.00 0.00 O ATOM 119 OE2 GLU A 87 -8.813 -7.123 12.443 1.00 0.00 O ATOM 0 H GLU A 87 -10.843 -3.724 7.880 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.061 -2.942 9.965 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.680 -4.866 10.035 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.702 -5.706 8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.743 -5.657 10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.631 -4.696 11.531 1.00 0.00 H new ATOM 126 N ALA A 88 -7.760 -4.468 7.326 1.00 0.00 N ATOM 127 CA ALA A 88 -6.501 -4.687 6.622 1.00 0.00 C ATOM 128 C ALA A 88 -5.781 -3.353 6.448 1.00 0.00 C ATOM 129 O ALA A 88 -4.583 -3.247 6.696 1.00 0.00 O ATOM 130 CB ALA A 88 -6.764 -5.332 5.256 1.00 0.00 C ATOM 0 H ALA A 88 -8.584 -4.851 6.862 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.873 -5.361 7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.817 -5.490 4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.265 -6.290 5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.397 -4.675 4.659 1.00 0.00 H new ATOM 136 N PHE A 89 -6.523 -2.333 6.034 1.00 0.00 N ATOM 137 CA PHE A 89 -5.939 -1.011 5.844 1.00 0.00 C ATOM 138 C PHE A 89 -5.260 -0.557 7.131 1.00 0.00 C ATOM 139 O PHE A 89 -4.137 -0.059 7.110 1.00 0.00 O ATOM 140 CB PHE A 89 -7.022 -0.005 5.447 1.00 0.00 C ATOM 141 CG PHE A 89 -6.385 1.338 5.177 1.00 0.00 C ATOM 142 CD1 PHE A 89 -6.234 2.265 6.216 1.00 0.00 C ATOM 143 CD2 PHE A 89 -5.945 1.658 3.886 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.643 3.509 5.962 1.00 0.00 C ATOM 145 CE2 PHE A 89 -5.356 2.900 3.635 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.206 3.827 4.672 1.00 0.00 C ATOM 0 H PHE A 89 -7.520 -2.394 5.825 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.199 -1.065 5.045 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.550 -0.354 4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.761 0.084 6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.573 2.021 7.212 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.061 0.944 3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.525 4.224 6.763 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.016 3.145 2.639 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.753 4.788 4.477 1.00 0.00 H new ATOM 156 N LYS A 90 -5.943 -0.742 8.253 1.00 0.00 N ATOM 157 CA LYS A 90 -5.387 -0.351 9.542 1.00 0.00 C ATOM 158 C LYS A 90 -4.086 -1.098 9.819 1.00 0.00 C ATOM 159 O LYS A 90 -3.179 -0.561 10.452 1.00 0.00 O ATOM 160 CB LYS A 90 -6.400 -0.635 10.658 1.00 0.00 C ATOM 161 CG LYS A 90 -7.640 0.260 10.479 1.00 0.00 C ATOM 162 CD LYS A 90 -7.393 1.633 11.114 1.00 0.00 C ATOM 163 CE LYS A 90 -8.648 2.490 10.979 1.00 0.00 C ATOM 164 NZ LYS A 90 -9.764 1.856 11.736 1.00 0.00 N ATOM 0 H LYS A 90 -6.874 -1.156 8.298 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.173 0.717 9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.692 -1.685 10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.944 -0.450 11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.865 0.376 9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.508 -0.212 10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.130 1.517 12.166 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.550 2.124 10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.459 3.494 11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.919 2.594 9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.472 2.578 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.207 1.120 11.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.393 1.428 12.608 1.00 0.00 H new ATOM 178 N VAL A 91 -3.992 -2.334 9.338 1.00 0.00 N ATOM 179 CA VAL A 91 -2.776 -3.121 9.546 1.00 0.00 C ATOM 180 C VAL A 91 -1.608 -2.533 8.751 1.00 0.00 C ATOM 181 O VAL A 91 -0.520 -2.338 9.284 1.00 0.00 O ATOM 182 CB VAL A 91 -3.014 -4.577 9.142 1.00 0.00 C ATOM 183 CG1 VAL A 91 -1.711 -5.364 9.275 1.00 0.00 C ATOM 184 CG2 VAL A 91 -4.075 -5.185 10.062 1.00 0.00 C ATOM 0 H VAL A 91 -4.726 -2.807 8.811 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.520 -3.087 10.605 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.356 -4.620 8.108 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.881 -6.401 8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.954 -4.927 8.624 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.367 -5.326 10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.250 -6.223 9.780 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.728 -5.143 11.095 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.004 -4.622 9.968 1.00 0.00 H new ATOM 194 N PHE A 92 -1.844 -2.243 7.474 1.00 0.00 N ATOM 195 CA PHE A 92 -0.794 -1.669 6.629 1.00 0.00 C ATOM 196 C PHE A 92 -0.384 -0.306 7.157 1.00 0.00 C ATOM 197 O PHE A 92 0.773 0.088 7.040 1.00 0.00 O ATOM 198 CB PHE A 92 -1.269 -1.527 5.178 1.00 0.00 C ATOM 199 CG PHE A 92 -2.020 -2.766 4.749 1.00 0.00 C ATOM 200 CD1 PHE A 92 -1.577 -4.037 5.137 1.00 0.00 C ATOM 201 CD2 PHE A 92 -3.174 -2.639 3.966 1.00 0.00 C ATOM 202 CE1 PHE A 92 -2.281 -5.173 4.743 1.00 0.00 C ATOM 203 CE2 PHE A 92 -3.880 -3.778 3.575 1.00 0.00 C ATOM 204 CZ PHE A 92 -3.432 -5.047 3.964 1.00 0.00 C ATOM 0 H PHE A 92 -2.737 -2.392 7.005 1.00 0.00 H new ATOM 0 HA PHE A 92 0.061 -2.345 6.653 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.912 -0.652 5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.413 -1.367 4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.688 -4.137 5.743 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.518 -1.660 3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.936 -6.152 5.041 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.771 -3.681 2.973 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.978 -5.928 3.661 1.00 0.00 H new ATOM 214 N ASP A 93 -1.337 0.415 7.726 1.00 0.00 N ATOM 215 CA ASP A 93 -1.051 1.739 8.252 1.00 0.00 C ATOM 216 C ASP A 93 -0.211 1.644 9.525 1.00 0.00 C ATOM 217 O ASP A 93 -0.664 2.019 10.605 1.00 0.00 O ATOM 218 CB ASP A 93 -2.361 2.473 8.557 1.00 0.00 C ATOM 219 CG ASP A 93 -2.101 3.969 8.719 1.00 0.00 C ATOM 220 OD1 ASP A 93 -1.027 4.412 8.344 1.00 0.00 O ATOM 221 OD2 ASP A 93 -2.985 4.652 9.211 1.00 0.00 O ATOM 0 H ASP A 93 -2.304 0.110 7.835 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.488 2.293 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.076 2.306 7.752 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.807 2.073 9.468 1.00 0.00 H new ATOM 226 N LYS A 94 1.011 1.134 9.395 1.00 0.00 N ATOM 227 CA LYS A 94 1.879 0.989 10.561 1.00 0.00 C ATOM 228 C LYS A 94 1.971 2.316 11.310 1.00 0.00 C ATOM 229 O LYS A 94 1.816 2.357 12.529 1.00 0.00 O ATOM 230 CB LYS A 94 3.279 0.540 10.122 1.00 0.00 C ATOM 231 CG LYS A 94 4.054 -0.001 11.328 1.00 0.00 C ATOM 232 CD LYS A 94 5.387 -0.585 10.857 1.00 0.00 C ATOM 233 CE LYS A 94 6.130 -1.194 12.047 1.00 0.00 C ATOM 234 NZ LYS A 94 6.401 -0.132 13.058 1.00 0.00 N ATOM 0 H LYS A 94 1.417 0.820 8.513 1.00 0.00 H new ATOM 0 HA LYS A 94 1.456 0.234 11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.200 -0.230 9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.817 1.378 9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.229 0.797 12.049 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.468 -0.767 11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.214 -1.346 10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.994 0.194 10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.535 -1.992 12.492 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.066 -1.642 11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.161 -0.445 13.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.692 0.741 12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.539 0.049 13.611 1.00 0.00 H new ATOM 248 N ASP A 95 2.225 3.396 10.582 1.00 0.00 N ATOM 249 CA ASP A 95 2.336 4.712 11.205 1.00 0.00 C ATOM 250 C ASP A 95 0.983 5.143 11.748 1.00 0.00 C ATOM 251 O ASP A 95 0.869 6.156 12.434 1.00 0.00 O ATOM 252 CB ASP A 95 2.816 5.741 10.178 1.00 0.00 C ATOM 253 CG ASP A 95 3.947 5.158 9.342 1.00 0.00 C ATOM 254 OD1 ASP A 95 4.930 4.728 9.924 1.00 0.00 O ATOM 255 OD2 ASP A 95 3.813 5.147 8.126 1.00 0.00 O ATOM 0 H ASP A 95 2.357 3.390 9.571 1.00 0.00 H new ATOM 0 HA ASP A 95 3.056 4.652 12.021 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.989 6.034 9.531 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.157 6.642 10.687 1.00 0.00 H new ATOM 260 N GLN A 96 -0.047 4.369 11.429 1.00 0.00 N ATOM 261 CA GLN A 96 -1.392 4.692 11.888 1.00 0.00 C ATOM 262 C GLN A 96 -1.718 6.152 11.582 1.00 0.00 C ATOM 263 O GLN A 96 -2.374 6.825 12.371 1.00 0.00 O ATOM 264 CB GLN A 96 -1.497 4.468 13.402 1.00 0.00 C ATOM 265 CG GLN A 96 -1.406 2.973 13.722 1.00 0.00 C ATOM 266 CD GLN A 96 -1.406 2.765 15.235 1.00 0.00 C ATOM 267 OE1 GLN A 96 -0.861 3.583 15.974 1.00 0.00 O ATOM 268 NE2 GLN A 96 -1.986 1.710 15.741 1.00 0.00 N ATOM 0 H GLN A 96 0.021 3.524 10.862 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.098 4.044 11.369 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.699 5.006 13.913 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.440 4.870 13.772 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.247 2.444 13.273 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.498 2.554 13.288 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.438 1.032 15.127 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.987 1.564 16.750 1.00 0.00 H new ATOM 277 N ASN A 97 -1.249 6.645 10.435 1.00 0.00 N ATOM 278 CA ASN A 97 -1.495 8.038 10.054 1.00 0.00 C ATOM 279 C ASN A 97 -2.697 8.154 9.122 1.00 0.00 C ATOM 280 O ASN A 97 -2.983 9.229 8.601 1.00 0.00 O ATOM 281 CB ASN A 97 -0.262 8.612 9.356 1.00 0.00 C ATOM 282 CG ASN A 97 -0.002 7.849 8.065 1.00 0.00 C ATOM 283 OD1 ASN A 97 -0.429 6.705 7.922 1.00 0.00 O ATOM 284 ND2 ASN A 97 0.677 8.418 7.106 1.00 0.00 N ATOM 0 H ASN A 97 -0.703 6.109 9.760 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.705 8.601 10.964 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.414 9.670 9.140 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.605 8.542 10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.854 7.913 6.237 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.031 9.367 7.225 1.00 0.00 H new ATOM 291 N GLY A 98 -3.407 7.047 8.918 1.00 0.00 N ATOM 292 CA GLY A 98 -4.584 7.057 8.052 1.00 0.00 C ATOM 293 C GLY A 98 -4.193 6.937 6.581 1.00 0.00 C ATOM 294 O GLY A 98 -5.052 6.765 5.718 1.00 0.00 O ATOM 0 H GLY A 98 -3.192 6.141 9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.244 6.233 8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.144 7.979 8.207 1.00 0.00 H new ATOM 298 N TYR A 99 -2.894 7.031 6.300 1.00 0.00 N ATOM 299 CA TYR A 99 -2.395 6.935 4.922 1.00 0.00 C ATOM 300 C TYR A 99 -1.278 5.898 4.838 1.00 0.00 C ATOM 301 O TYR A 99 -0.384 5.879 5.679 1.00 0.00 O ATOM 302 CB TYR A 99 -1.846 8.295 4.480 1.00 0.00 C ATOM 303 CG TYR A 99 -2.998 9.230 4.204 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.766 9.723 5.263 1.00 0.00 C ATOM 305 CD2 TYR A 99 -3.300 9.595 2.890 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.840 10.581 5.007 1.00 0.00 C ATOM 307 CE2 TYR A 99 -4.372 10.456 2.633 1.00 0.00 C ATOM 308 CZ TYR A 99 -5.143 10.950 3.692 1.00 0.00 C ATOM 309 OH TYR A 99 -6.201 11.799 3.438 1.00 0.00 O ATOM 0 H TYR A 99 -2.168 7.173 7.002 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.216 6.635 4.271 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -1.203 8.710 5.256 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.233 8.180 3.586 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.530 9.441 6.279 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.706 9.213 2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.436 10.959 5.825 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.605 10.740 1.617 1.00 0.00 H new ATOM 0 HH TYR A 99 -6.272 11.953 2.473 1.00 0.00 H new ATOM 319 N ILE A 100 -1.315 5.040 3.817 1.00 0.00 N ATOM 320 CA ILE A 100 -0.263 4.034 3.666 1.00 0.00 C ATOM 321 C ILE A 100 0.935 4.672 2.964 1.00 0.00 C ATOM 322 O ILE A 100 0.783 5.308 1.916 1.00 0.00 O ATOM 323 CB ILE A 100 -0.757 2.832 2.855 1.00 0.00 C ATOM 324 CG1 ILE A 100 -2.108 2.345 3.401 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.273 1.705 2.965 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.642 1.217 2.513 1.00 0.00 C ATOM 0 H ILE A 100 -2.041 5.020 3.100 1.00 0.00 H new ATOM 0 HA ILE A 100 0.024 3.676 4.655 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.883 3.125 1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.992 1.992 4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.820 3.170 3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.068 0.843 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.230 2.047 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.391 1.421 4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.600 0.872 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.774 1.586 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.932 0.390 2.510 1.00 0.00 H new ATOM 338 N SER A 101 2.120 4.510 3.549 1.00 0.00 N ATOM 339 CA SER A 101 3.340 5.092 2.975 1.00 0.00 C ATOM 340 C SER A 101 4.068 4.068 2.110 1.00 0.00 C ATOM 341 O SER A 101 3.844 2.866 2.240 1.00 0.00 O ATOM 342 CB SER A 101 4.268 5.564 4.097 1.00 0.00 C ATOM 343 OG SER A 101 5.541 5.888 3.552 1.00 0.00 O ATOM 0 H SER A 101 2.265 3.986 4.412 1.00 0.00 H new ATOM 0 HA SER A 101 3.057 5.941 2.352 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.841 6.435 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.371 4.784 4.851 1.00 0.00 H new ATOM 0 HG SER A 101 6.136 6.192 4.269 1.00 0.00 H new ATOM 349 N ALA A 102 4.938 4.545 1.224 1.00 0.00 N ATOM 350 CA ALA A 102 5.677 3.636 0.354 1.00 0.00 C ATOM 351 C ALA A 102 6.453 2.628 1.197 1.00 0.00 C ATOM 352 O ALA A 102 6.461 1.434 0.899 1.00 0.00 O ATOM 353 CB ALA A 102 6.641 4.421 -0.540 1.00 0.00 C ATOM 0 H ALA A 102 5.146 5.535 1.091 1.00 0.00 H new ATOM 0 HA ALA A 102 4.968 3.103 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.185 3.730 -1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.077 5.122 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.348 4.971 0.082 1.00 0.00 H new ATOM 359 N SER A 103 7.099 3.110 2.258 1.00 0.00 N ATOM 360 CA SER A 103 7.866 2.228 3.132 1.00 0.00 C ATOM 361 C SER A 103 6.974 1.110 3.678 1.00 0.00 C ATOM 362 O SER A 103 7.403 -0.034 3.807 1.00 0.00 O ATOM 363 CB SER A 103 8.476 3.024 4.284 1.00 0.00 C ATOM 364 OG SER A 103 9.395 3.975 3.761 1.00 0.00 O ATOM 0 H SER A 103 7.106 4.093 2.530 1.00 0.00 H new ATOM 0 HA SER A 103 8.671 1.779 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.692 3.530 4.847 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.984 2.353 4.977 1.00 0.00 H new ATOM 0 HG SER A 103 9.788 4.489 4.497 1.00 0.00 H new ATOM 370 N GLU A 104 5.729 1.441 4.013 1.00 0.00 N ATOM 371 CA GLU A 104 4.814 0.449 4.526 1.00 0.00 C ATOM 372 C GLU A 104 4.377 -0.507 3.412 1.00 0.00 C ATOM 373 O GLU A 104 4.184 -1.695 3.650 1.00 0.00 O ATOM 374 CB GLU A 104 3.595 1.142 5.129 1.00 0.00 C ATOM 375 CG GLU A 104 3.997 1.863 6.414 1.00 0.00 C ATOM 376 CD GLU A 104 2.755 2.451 7.076 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.697 2.382 6.474 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.876 2.960 8.181 1.00 0.00 O ATOM 0 H GLU A 104 5.342 2.382 3.936 1.00 0.00 H new ATOM 0 HA GLU A 104 5.319 -0.131 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.179 1.854 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.815 0.410 5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.491 1.169 7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.713 2.654 6.191 1.00 0.00 H new ATOM 385 N LEU A 105 4.220 0.015 2.196 1.00 0.00 N ATOM 386 CA LEU A 105 3.786 -0.816 1.074 1.00 0.00 C ATOM 387 C LEU A 105 4.793 -1.943 0.833 1.00 0.00 C ATOM 388 O LEU A 105 4.419 -3.099 0.636 1.00 0.00 O ATOM 389 CB LEU A 105 3.658 0.053 -0.196 1.00 0.00 C ATOM 390 CG LEU A 105 2.600 -0.527 -1.159 1.00 0.00 C ATOM 391 CD1 LEU A 105 2.904 -2.002 -1.461 1.00 0.00 C ATOM 392 CD2 LEU A 105 1.186 -0.403 -0.542 1.00 0.00 C ATOM 0 H LEU A 105 4.384 0.995 1.964 1.00 0.00 H new ATOM 0 HA LEU A 105 2.817 -1.255 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.383 1.071 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.622 0.110 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 105 2.634 0.041 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.149 -2.397 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.888 -2.083 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.891 -2.574 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.450 -0.816 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.150 -0.953 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.961 0.647 -0.357 1.00 0.00 H new ATOM 404 N ARG A 106 6.074 -1.603 0.870 1.00 0.00 N ATOM 405 CA ARG A 106 7.112 -2.608 0.664 1.00 0.00 C ATOM 406 C ARG A 106 7.184 -3.542 1.868 1.00 0.00 C ATOM 407 O ARG A 106 7.371 -4.748 1.719 1.00 0.00 O ATOM 408 CB ARG A 106 8.463 -1.936 0.413 1.00 0.00 C ATOM 409 CG ARG A 106 8.807 -1.032 1.591 1.00 0.00 C ATOM 410 CD ARG A 106 10.175 -0.394 1.376 1.00 0.00 C ATOM 411 NE ARG A 106 11.206 -1.426 1.339 1.00 0.00 N ATOM 412 CZ ARG A 106 11.705 -1.927 2.461 1.00 0.00 C ATOM 413 NH1 ARG A 106 11.253 -1.511 3.613 1.00 0.00 N ATOM 414 NH2 ARG A 106 12.641 -2.836 2.416 1.00 0.00 N ATOM 0 H ARG A 106 6.417 -0.657 1.037 1.00 0.00 H new ATOM 0 HA ARG A 106 6.860 -3.200 -0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.238 -2.691 0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.426 -1.354 -0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.048 -0.257 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.807 -1.609 2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.180 0.170 0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.386 0.314 2.178 1.00 0.00 H new ATOM 0 HE ARG A 106 11.547 -1.766 0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.519 -0.804 3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.634 -1.894 4.479 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.991 -3.163 1.516 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.022 -3.219 3.281 1.00 0.00 H new ATOM 428 N HIS A 107 7.029 -2.985 3.067 1.00 0.00 N ATOM 429 CA HIS A 107 7.077 -3.793 4.277 1.00 0.00 C ATOM 430 C HIS A 107 6.011 -4.877 4.209 1.00 0.00 C ATOM 431 O HIS A 107 6.263 -6.030 4.552 1.00 0.00 O ATOM 432 CB HIS A 107 6.852 -2.913 5.511 1.00 0.00 C ATOM 433 CG HIS A 107 7.075 -3.729 6.754 1.00 0.00 C ATOM 434 ND1 HIS A 107 6.041 -4.391 7.397 1.00 0.00 N ATOM 435 CD2 HIS A 107 8.207 -4.002 7.481 1.00 0.00 C ATOM 436 CE1 HIS A 107 6.567 -5.024 8.461 1.00 0.00 C ATOM 437 NE2 HIS A 107 7.883 -4.820 8.559 1.00 0.00 N ATOM 0 H HIS A 107 6.871 -1.989 3.223 1.00 0.00 H new ATOM 0 HA HIS A 107 8.059 -4.258 4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.534 -2.063 5.494 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.839 -2.510 5.504 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.197 -3.638 7.251 1.00 0.00 H new ATOM 0 HE1 HIS A 107 5.994 -5.624 9.152 1.00 0.00 H new ATOM 0 HE2 HIS A 107 8.515 -5.185 9.271 1.00 0.00 H new ATOM 446 N VAL A 108 4.825 -4.505 3.746 1.00 0.00 N ATOM 447 CA VAL A 108 3.739 -5.467 3.618 1.00 0.00 C ATOM 448 C VAL A 108 4.097 -6.522 2.576 1.00 0.00 C ATOM 449 O VAL A 108 3.867 -7.712 2.782 1.00 0.00 O ATOM 450 CB VAL A 108 2.441 -4.755 3.225 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.346 -5.791 2.958 1.00 0.00 C ATOM 452 CG2 VAL A 108 2.000 -3.838 4.369 1.00 0.00 C ATOM 0 H VAL A 108 4.592 -3.555 3.456 1.00 0.00 H new ATOM 0 HA VAL A 108 3.589 -5.957 4.580 1.00 0.00 H new ATOM 0 HB VAL A 108 2.610 -4.165 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.424 -5.282 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.657 -6.449 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.176 -6.381 3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.076 -3.330 4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.832 -4.432 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.777 -3.099 4.563 1.00 0.00 H new ATOM 462 N MET A 109 4.660 -6.084 1.455 1.00 0.00 N ATOM 463 CA MET A 109 5.031 -7.017 0.397 1.00 0.00 C ATOM 464 C MET A 109 6.057 -8.020 0.919 1.00 0.00 C ATOM 465 O MET A 109 5.975 -9.211 0.621 1.00 0.00 O ATOM 466 CB MET A 109 5.615 -6.248 -0.794 1.00 0.00 C ATOM 467 CG MET A 109 4.487 -5.553 -1.563 1.00 0.00 C ATOM 468 SD MET A 109 3.452 -6.786 -2.389 1.00 0.00 S ATOM 469 CE MET A 109 2.178 -5.647 -2.982 1.00 0.00 C ATOM 0 H MET A 109 4.867 -5.105 1.257 1.00 0.00 H new ATOM 0 HA MET A 109 4.141 -7.557 0.073 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.338 -5.511 -0.444 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.150 -6.931 -1.453 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.882 -4.958 -0.879 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.906 -4.866 -2.298 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.419 -6.204 -3.532 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.715 -5.145 -2.133 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.631 -4.905 -3.639 1.00 0.00 H new ATOM 479 N ILE A 110 7.013 -7.542 1.710 1.00 0.00 N ATOM 480 CA ILE A 110 8.026 -8.429 2.272 1.00 0.00 C ATOM 481 C ILE A 110 7.374 -9.423 3.232 1.00 0.00 C ATOM 482 O ILE A 110 7.672 -10.615 3.206 1.00 0.00 O ATOM 483 CB ILE A 110 9.095 -7.614 3.003 1.00 0.00 C ATOM 484 CG1 ILE A 110 9.877 -6.784 1.986 1.00 0.00 C ATOM 485 CG2 ILE A 110 10.057 -8.562 3.727 1.00 0.00 C ATOM 486 CD1 ILE A 110 10.736 -5.754 2.723 1.00 0.00 C ATOM 0 H ILE A 110 7.108 -6.561 1.973 1.00 0.00 H new ATOM 0 HA ILE A 110 8.501 -8.980 1.461 1.00 0.00 H new ATOM 0 HB ILE A 110 8.618 -6.956 3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.508 -7.433 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.190 -6.281 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.818 -7.980 4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.502 -9.162 4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.536 -9.219 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 110 11.295 -5.161 1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.094 -5.098 3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.433 -6.268 3.385 1.00 0.00 H new ATOM 498 N ASN A 111 6.476 -8.922 4.077 1.00 0.00 N ATOM 499 CA ASN A 111 5.787 -9.781 5.033 1.00 0.00 C ATOM 500 C ASN A 111 4.997 -10.852 4.295 1.00 0.00 C ATOM 501 O ASN A 111 4.832 -11.965 4.787 1.00 0.00 O ATOM 502 CB ASN A 111 4.852 -8.950 5.917 1.00 0.00 C ATOM 503 CG ASN A 111 4.015 -9.871 6.807 1.00 0.00 C ATOM 504 OD1 ASN A 111 4.441 -10.980 7.128 1.00 0.00 O ATOM 505 ND2 ASN A 111 2.847 -9.471 7.233 1.00 0.00 N ATOM 0 H ASN A 111 6.212 -7.938 4.119 1.00 0.00 H new ATOM 0 HA ASN A 111 6.529 -10.264 5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.435 -8.266 6.534 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.198 -8.339 5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.287 -10.078 7.832 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.494 -8.552 6.967 1.00 0.00 H new ATOM 512 N LEU A 112 4.519 -10.510 3.105 1.00 0.00 N ATOM 513 CA LEU A 112 3.755 -11.458 2.299 1.00 0.00 C ATOM 514 C LEU A 112 4.683 -12.383 1.516 1.00 0.00 C ATOM 515 O LEU A 112 4.227 -13.273 0.802 1.00 0.00 O ATOM 516 CB LEU A 112 2.829 -10.708 1.322 1.00 0.00 C ATOM 517 CG LEU A 112 1.435 -10.514 1.935 1.00 0.00 C ATOM 518 CD1 LEU A 112 1.514 -9.566 3.128 1.00 0.00 C ATOM 519 CD2 LEU A 112 0.497 -9.929 0.878 1.00 0.00 C ATOM 0 H LEU A 112 4.644 -9.592 2.678 1.00 0.00 H new ATOM 0 HA LEU A 112 3.151 -12.062 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.261 -9.738 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.747 -11.267 0.390 1.00 0.00 H new ATOM 0 HG LEU A 112 1.054 -11.478 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.520 -9.435 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.181 -9.985 3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.898 -8.600 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.495 -9.789 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.884 -8.968 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.432 -10.612 0.031 1.00 0.00 H new ATOM 531 N GLY A 113 5.977 -12.169 1.650 1.00 0.00 N ATOM 532 CA GLY A 113 6.951 -12.999 0.945 1.00 0.00 C ATOM 533 C GLY A 113 7.180 -12.489 -0.473 1.00 0.00 C ATOM 534 O GLY A 113 7.658 -13.222 -1.336 1.00 0.00 O ATOM 0 H GLY A 113 6.382 -11.437 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.894 -13.002 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.599 -14.030 0.912 1.00 0.00 H new ATOM 538 N GLU A 114 6.841 -11.221 -0.706 1.00 0.00 N ATOM 539 CA GLU A 114 7.016 -10.604 -2.024 1.00 0.00 C ATOM 540 C GLU A 114 8.036 -9.472 -1.930 1.00 0.00 C ATOM 541 O GLU A 114 7.935 -8.614 -1.055 1.00 0.00 O ATOM 542 CB GLU A 114 5.682 -10.033 -2.516 1.00 0.00 C ATOM 543 CG GLU A 114 4.697 -11.172 -2.795 1.00 0.00 C ATOM 544 CD GLU A 114 3.339 -10.595 -3.179 1.00 0.00 C ATOM 545 OE1 GLU A 114 2.930 -9.629 -2.556 1.00 0.00 O ATOM 546 OE2 GLU A 114 2.728 -11.126 -4.092 1.00 0.00 O ATOM 0 H GLU A 114 6.444 -10.600 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 114 7.368 -11.362 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.268 -9.358 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.839 -9.447 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.075 -11.804 -3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.598 -11.804 -1.913 1.00 0.00 H new ATOM 553 N LYS A 115 9.020 -9.470 -2.831 1.00 0.00 N ATOM 554 CA LYS A 115 10.052 -8.426 -2.836 1.00 0.00 C ATOM 555 C LYS A 115 10.149 -7.792 -4.221 1.00 0.00 C ATOM 556 O LYS A 115 10.636 -8.410 -5.166 1.00 0.00 O ATOM 557 CB LYS A 115 11.404 -9.033 -2.453 1.00 0.00 C ATOM 558 CG LYS A 115 11.532 -10.426 -3.079 1.00 0.00 C ATOM 559 CD LYS A 115 12.972 -10.945 -2.917 1.00 0.00 C ATOM 560 CE LYS A 115 13.151 -11.535 -1.519 1.00 0.00 C ATOM 561 NZ LYS A 115 12.199 -12.667 -1.337 1.00 0.00 N ATOM 0 H LYS A 115 9.126 -10.173 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 115 9.782 -7.658 -2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.214 -8.391 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.491 -9.100 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.833 -11.114 -2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.268 -10.385 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.183 -11.702 -3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.682 -10.133 -3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.176 -11.882 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.973 -10.770 -0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.623 -13.379 -0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 11.317 -12.314 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.992 -13.099 -2.260 1.00 0.00 H new ATOM 575 N LEU A 116 9.688 -6.551 -4.338 1.00 0.00 N ATOM 576 CA LEU A 116 9.729 -5.838 -5.617 1.00 0.00 C ATOM 577 C LEU A 116 10.785 -4.740 -5.557 1.00 0.00 C ATOM 578 O LEU A 116 11.105 -4.240 -4.479 1.00 0.00 O ATOM 579 CB LEU A 116 8.357 -5.221 -5.915 1.00 0.00 C ATOM 580 CG LEU A 116 7.267 -6.297 -5.797 1.00 0.00 C ATOM 581 CD1 LEU A 116 5.895 -5.668 -6.060 1.00 0.00 C ATOM 582 CD2 LEU A 116 7.524 -7.412 -6.822 1.00 0.00 C ATOM 0 H LEU A 116 9.283 -6.017 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 116 9.983 -6.541 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.155 -4.407 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.351 -4.792 -6.917 1.00 0.00 H new ATOM 0 HG LEU A 116 7.287 -6.720 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.122 -6.432 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.709 -4.882 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.876 -5.242 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.748 -8.173 -6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.509 -6.992 -7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.498 -7.863 -6.632 1.00 0.00 H new ATOM 594 N THR A 117 11.332 -4.365 -6.710 1.00 0.00 N ATOM 595 CA THR A 117 12.351 -3.323 -6.739 1.00 0.00 C ATOM 596 C THR A 117 11.709 -1.974 -6.423 1.00 0.00 C ATOM 597 O THR A 117 10.487 -1.837 -6.470 1.00 0.00 O ATOM 598 CB THR A 117 13.014 -3.269 -8.118 1.00 0.00 C ATOM 599 OG1 THR A 117 12.048 -2.902 -9.092 1.00 0.00 O ATOM 600 CG2 THR A 117 13.593 -4.642 -8.466 1.00 0.00 C ATOM 0 H THR A 117 11.092 -4.759 -7.620 1.00 0.00 H new ATOM 0 HA THR A 117 13.112 -3.549 -5.992 1.00 0.00 H new ATOM 0 HB THR A 117 13.817 -2.532 -8.104 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.471 -2.865 -9.975 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.064 -4.600 -9.448 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.335 -4.924 -7.719 1.00 0.00 H new ATOM 0 HG23 THR A 117 12.793 -5.382 -8.479 1.00 0.00 H new ATOM 608 N ASP A 118 12.525 -0.976 -6.098 1.00 0.00 N ATOM 609 CA ASP A 118 11.986 0.345 -5.780 1.00 0.00 C ATOM 610 C ASP A 118 11.260 0.930 -6.986 1.00 0.00 C ATOM 611 O ASP A 118 10.225 1.576 -6.841 1.00 0.00 O ATOM 612 CB ASP A 118 13.116 1.289 -5.334 1.00 0.00 C ATOM 613 CG ASP A 118 13.395 1.115 -3.843 1.00 0.00 C ATOM 614 OD1 ASP A 118 12.920 0.141 -3.283 1.00 0.00 O ATOM 615 OD2 ASP A 118 14.074 1.960 -3.283 1.00 0.00 O ATOM 0 H ASP A 118 13.541 -1.051 -6.048 1.00 0.00 H new ATOM 0 HA ASP A 118 11.273 0.239 -4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.020 1.081 -5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 118 12.838 2.323 -5.541 1.00 0.00 H new ATOM 620 N GLU A 119 11.800 0.698 -8.173 1.00 0.00 N ATOM 621 CA GLU A 119 11.178 1.215 -9.386 1.00 0.00 C ATOM 622 C GLU A 119 9.745 0.709 -9.510 1.00 0.00 C ATOM 623 O GLU A 119 8.858 1.440 -9.943 1.00 0.00 O ATOM 624 CB GLU A 119 11.985 0.785 -10.614 1.00 0.00 C ATOM 625 CG GLU A 119 13.335 1.508 -10.612 1.00 0.00 C ATOM 626 CD GLU A 119 14.211 0.989 -11.745 1.00 0.00 C ATOM 627 OE1 GLU A 119 13.776 0.081 -12.437 1.00 0.00 O ATOM 628 OE2 GLU A 119 15.302 1.508 -11.911 1.00 0.00 O ATOM 0 H GLU A 119 12.655 0.163 -8.324 1.00 0.00 H new ATOM 0 HA GLU A 119 11.162 2.303 -9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.138 -0.294 -10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.435 1.020 -11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.181 2.581 -10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.836 1.356 -9.656 1.00 0.00 H new ATOM 635 N GLU A 120 9.513 -0.536 -9.106 1.00 0.00 N ATOM 636 CA GLU A 120 8.169 -1.095 -9.169 1.00 0.00 C ATOM 637 C GLU A 120 7.285 -0.460 -8.101 1.00 0.00 C ATOM 638 O GLU A 120 6.169 -0.028 -8.386 1.00 0.00 O ATOM 639 CB GLU A 120 8.224 -2.611 -8.969 1.00 0.00 C ATOM 640 CG GLU A 120 8.964 -3.260 -10.142 1.00 0.00 C ATOM 641 CD GLU A 120 8.169 -3.080 -11.431 1.00 0.00 C ATOM 642 OE1 GLU A 120 6.981 -2.813 -11.336 1.00 0.00 O ATOM 643 OE2 GLU A 120 8.758 -3.203 -12.491 1.00 0.00 O ATOM 0 H GLU A 120 10.225 -1.167 -8.738 1.00 0.00 H new ATOM 0 HA GLU A 120 7.744 -0.881 -10.150 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.730 -2.846 -8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.214 -3.015 -8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.952 -2.813 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.114 -4.321 -9.944 1.00 0.00 H new ATOM 650 N VAL A 121 7.789 -0.399 -6.873 1.00 0.00 N ATOM 651 CA VAL A 121 7.024 0.198 -5.784 1.00 0.00 C ATOM 652 C VAL A 121 6.757 1.669 -6.082 1.00 0.00 C ATOM 653 O VAL A 121 5.630 2.136 -5.972 1.00 0.00 O ATOM 654 CB VAL A 121 7.784 0.059 -4.461 1.00 0.00 C ATOM 655 CG1 VAL A 121 7.034 0.805 -3.355 1.00 0.00 C ATOM 656 CG2 VAL A 121 7.893 -1.422 -4.090 1.00 0.00 C ATOM 0 H VAL A 121 8.710 -0.750 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 121 6.072 -0.326 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 121 8.782 0.484 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.577 0.704 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.955 1.860 -3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.035 0.383 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.434 -1.522 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.894 -1.844 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.429 -1.955 -4.875 1.00 0.00 H new ATOM 666 N GLU A 122 7.798 2.396 -6.472 1.00 0.00 N ATOM 667 CA GLU A 122 7.642 3.814 -6.782 1.00 0.00 C ATOM 668 C GLU A 122 6.608 3.998 -7.888 1.00 0.00 C ATOM 669 O GLU A 122 5.828 4.946 -7.867 1.00 0.00 O ATOM 670 CB GLU A 122 8.983 4.410 -7.217 1.00 0.00 C ATOM 671 CG GLU A 122 8.837 5.920 -7.428 1.00 0.00 C ATOM 672 CD GLU A 122 10.177 6.516 -7.840 1.00 0.00 C ATOM 673 OE1 GLU A 122 11.173 5.822 -7.719 1.00 0.00 O ATOM 674 OE2 GLU A 122 10.188 7.657 -8.273 1.00 0.00 O ATOM 0 H GLU A 122 8.746 2.035 -6.580 1.00 0.00 H new ATOM 0 HA GLU A 122 7.299 4.332 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.742 4.211 -6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.320 3.936 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.089 6.118 -8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 122 8.485 6.392 -6.511 1.00 0.00 H new ATOM 681 N GLN A 123 6.598 3.079 -8.847 1.00 0.00 N ATOM 682 CA GLN A 123 5.636 3.157 -9.941 1.00 0.00 C ATOM 683 C GLN A 123 4.222 2.885 -9.432 1.00 0.00 C ATOM 684 O GLN A 123 3.272 3.542 -9.845 1.00 0.00 O ATOM 685 CB GLN A 123 5.998 2.152 -11.038 1.00 0.00 C ATOM 686 CG GLN A 123 5.036 2.308 -12.220 1.00 0.00 C ATOM 687 CD GLN A 123 5.484 1.422 -13.377 1.00 0.00 C ATOM 688 OE1 GLN A 123 6.248 0.478 -13.176 1.00 0.00 O ATOM 689 NE2 GLN A 123 5.059 1.675 -14.586 1.00 0.00 N ATOM 0 H GLN A 123 7.234 2.283 -8.891 1.00 0.00 H new ATOM 0 HA GLN A 123 5.670 4.164 -10.357 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.024 2.314 -11.368 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.946 1.136 -10.646 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.025 2.038 -11.915 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.005 3.350 -12.540 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.426 2.458 -14.751 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.360 1.090 -15.365 1.00 0.00 H new ATOM 698 N MET A 124 4.084 1.911 -8.534 1.00 0.00 N ATOM 699 CA MET A 124 2.779 1.572 -7.995 1.00 0.00 C ATOM 700 C MET A 124 2.202 2.748 -7.215 1.00 0.00 C ATOM 701 O MET A 124 1.028 3.082 -7.359 1.00 0.00 O ATOM 702 CB MET A 124 2.908 0.346 -7.088 1.00 0.00 C ATOM 703 CG MET A 124 1.529 -0.059 -6.582 1.00 0.00 C ATOM 704 SD MET A 124 1.671 -1.535 -5.546 1.00 0.00 S ATOM 705 CE MET A 124 1.502 -2.765 -6.862 1.00 0.00 C ATOM 0 H MET A 124 4.855 1.351 -8.170 1.00 0.00 H new ATOM 0 HA MET A 124 2.101 1.343 -8.817 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.363 -0.479 -7.636 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.564 0.570 -6.247 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.086 0.757 -6.011 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.865 -0.256 -7.424 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.562 -3.766 -6.434 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.539 -2.639 -7.356 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.303 -2.632 -7.589 1.00 0.00 H new ATOM 715 N ILE A 125 3.034 3.384 -6.399 1.00 0.00 N ATOM 716 CA ILE A 125 2.581 4.529 -5.617 1.00 0.00 C ATOM 717 C ILE A 125 2.155 5.655 -6.551 1.00 0.00 C ATOM 718 O ILE A 125 1.081 6.234 -6.402 1.00 0.00 O ATOM 719 CB ILE A 125 3.713 5.008 -4.692 1.00 0.00 C ATOM 720 CG1 ILE A 125 4.191 3.842 -3.794 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.225 6.180 -3.834 1.00 0.00 C ATOM 722 CD1 ILE A 125 3.260 3.650 -2.588 1.00 0.00 C ATOM 0 H ILE A 125 4.013 3.132 -6.262 1.00 0.00 H new ATOM 0 HA ILE A 125 1.727 4.234 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 125 4.553 5.346 -5.299 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.228 2.922 -4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.205 4.040 -3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.032 6.514 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.918 7.002 -4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.378 5.859 -3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.622 2.824 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.244 4.563 -1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.252 3.427 -2.938 1.00 0.00 H new ATOM 734 N LYS A 126 3.007 5.948 -7.521 1.00 0.00 N ATOM 735 CA LYS A 126 2.715 6.998 -8.486 1.00 0.00 C ATOM 736 C LYS A 126 1.515 6.629 -9.346 1.00 0.00 C ATOM 737 O LYS A 126 0.635 7.454 -9.586 1.00 0.00 O ATOM 738 CB LYS A 126 3.930 7.232 -9.370 1.00 0.00 C ATOM 739 CG LYS A 126 5.094 7.757 -8.522 1.00 0.00 C ATOM 740 CD LYS A 126 4.872 9.233 -8.162 1.00 0.00 C ATOM 741 CE LYS A 126 6.187 9.849 -7.695 1.00 0.00 C ATOM 742 NZ LYS A 126 6.638 9.169 -6.449 1.00 0.00 N ATOM 0 H LYS A 126 3.901 5.477 -7.661 1.00 0.00 H new ATOM 0 HA LYS A 126 2.477 7.911 -7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.217 6.303 -9.863 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.688 7.948 -10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 126 5.185 7.164 -7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.030 7.647 -9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 126 4.492 9.776 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 126 4.120 9.317 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.945 9.748 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.057 10.916 -7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 7.414 9.712 -6.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 5.844 9.109 -5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 6.971 8.211 -6.678 1.00 0.00 H new ATOM 756 N GLU A 127 1.489 5.386 -9.804 1.00 0.00 N ATOM 757 CA GLU A 127 0.392 4.915 -10.638 1.00 0.00 C ATOM 758 C GLU A 127 -0.893 4.815 -9.831 1.00 0.00 C ATOM 759 O GLU A 127 -1.982 5.075 -10.340 1.00 0.00 O ATOM 760 CB GLU A 127 0.732 3.549 -11.212 1.00 0.00 C ATOM 761 CG GLU A 127 -0.246 3.206 -12.338 1.00 0.00 C ATOM 762 CD GLU A 127 0.044 4.072 -13.560 1.00 0.00 C ATOM 763 OE1 GLU A 127 1.049 4.764 -13.547 1.00 0.00 O ATOM 764 OE2 GLU A 127 -0.744 4.033 -14.491 1.00 0.00 O ATOM 0 H GLU A 127 2.209 4.689 -9.614 1.00 0.00 H new ATOM 0 HA GLU A 127 0.245 5.630 -11.448 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.754 3.547 -11.591 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.681 2.792 -10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.158 2.152 -12.600 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.271 3.366 -12.003 1.00 0.00 H new ATOM 771 N ALA A 128 -0.759 4.420 -8.575 1.00 0.00 N ATOM 772 CA ALA A 128 -1.930 4.270 -7.707 1.00 0.00 C ATOM 773 C ALA A 128 -2.403 5.619 -7.183 1.00 0.00 C ATOM 774 O ALA A 128 -3.584 5.812 -6.924 1.00 0.00 O ATOM 775 CB ALA A 128 -1.606 3.359 -6.526 1.00 0.00 C ATOM 0 H ALA A 128 0.133 4.199 -8.133 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.726 3.825 -8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.487 3.259 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.310 2.377 -6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.789 3.790 -5.947 1.00 0.00 H new ATOM 781 N ASP A 129 -1.474 6.548 -7.019 1.00 0.00 N ATOM 782 CA ASP A 129 -1.815 7.868 -6.507 1.00 0.00 C ATOM 783 C ASP A 129 -2.481 8.719 -7.571 1.00 0.00 C ATOM 784 O ASP A 129 -1.898 9.004 -8.617 1.00 0.00 O ATOM 785 CB ASP A 129 -0.554 8.577 -6.031 1.00 0.00 C ATOM 786 CG ASP A 129 -0.058 7.969 -4.728 1.00 0.00 C ATOM 787 OD1 ASP A 129 -0.872 7.405 -4.014 1.00 0.00 O ATOM 788 OD2 ASP A 129 1.125 8.082 -4.458 1.00 0.00 O ATOM 0 H ASP A 129 -0.485 6.415 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.511 7.734 -5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 129 0.222 8.501 -6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -0.758 9.638 -5.889 1.00 0.00 H new ATOM 793 N LEU A 130 -3.704 9.126 -7.293 1.00 0.00 N ATOM 794 CA LEU A 130 -4.450 9.951 -8.229 1.00 0.00 C ATOM 795 C LEU A 130 -4.007 11.407 -8.156 1.00 0.00 C ATOM 796 O LEU A 130 -4.176 12.155 -9.111 1.00 0.00 O ATOM 797 CB LEU A 130 -5.953 9.859 -7.939 1.00 0.00 C ATOM 798 CG LEU A 130 -6.763 10.556 -9.071 1.00 0.00 C ATOM 799 CD1 LEU A 130 -8.023 9.744 -9.387 1.00 0.00 C ATOM 800 CD2 LEU A 130 -7.173 11.971 -8.630 1.00 0.00 C ATOM 0 H LEU A 130 -4.202 8.902 -6.432 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.249 9.577 -9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.252 8.814 -7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.175 10.329 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.136 10.619 -9.961 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -8.585 10.238 -10.180 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -7.739 8.743 -9.713 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -8.643 9.672 -8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -7.739 12.451 -9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -7.791 11.908 -7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -6.280 12.558 -8.415 1.00 0.00 H new ATOM 812 N ASP A 131 -3.457 11.814 -7.010 1.00 0.00 N ATOM 813 CA ASP A 131 -3.017 13.203 -6.825 1.00 0.00 C ATOM 814 C ASP A 131 -1.506 13.296 -6.676 1.00 0.00 C ATOM 815 O ASP A 131 -0.994 14.323 -6.242 1.00 0.00 O ATOM 816 CB ASP A 131 -3.676 13.789 -5.578 1.00 0.00 C ATOM 817 CG ASP A 131 -3.125 13.114 -4.326 1.00 0.00 C ATOM 818 OD1 ASP A 131 -2.369 12.166 -4.469 1.00 0.00 O ATOM 819 OD2 ASP A 131 -3.468 13.553 -3.241 1.00 0.00 O ATOM 0 H ASP A 131 -3.306 11.210 -6.202 1.00 0.00 H new ATOM 0 HA ASP A 131 -3.312 13.766 -7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.494 14.863 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.756 13.651 -5.629 1.00 0.00 H new ATOM 824 N GLY A 132 -0.792 12.234 -7.038 1.00 0.00 N ATOM 825 CA GLY A 132 0.665 12.243 -6.933 1.00 0.00 C ATOM 826 C GLY A 132 1.123 12.950 -5.656 1.00 0.00 C ATOM 827 O GLY A 132 2.112 13.683 -5.668 1.00 0.00 O ATOM 0 H GLY A 132 -1.190 11.368 -7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 132 1.039 11.219 -6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 132 1.092 12.744 -7.802 1.00 0.00 H new ATOM 831 N ASP A 133 0.404 12.734 -4.553 1.00 0.00 N ATOM 832 CA ASP A 133 0.766 13.370 -3.288 1.00 0.00 C ATOM 833 C ASP A 133 1.936 12.638 -2.641 1.00 0.00 C ATOM 834 O ASP A 133 2.603 13.171 -1.759 1.00 0.00 O ATOM 835 CB ASP A 133 -0.430 13.360 -2.334 1.00 0.00 C ATOM 836 CG ASP A 133 -0.965 11.941 -2.199 1.00 0.00 C ATOM 837 OD1 ASP A 133 -0.177 11.024 -2.347 1.00 0.00 O ATOM 838 OD2 ASP A 133 -2.153 11.789 -1.965 1.00 0.00 O ATOM 0 H ASP A 133 -0.419 12.133 -4.510 1.00 0.00 H new ATOM 0 HA ASP A 133 1.059 14.400 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.132 13.741 -1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.212 14.020 -2.709 1.00 0.00 H new ATOM 843 N GLY A 134 2.179 11.410 -3.092 1.00 0.00 N ATOM 844 CA GLY A 134 3.275 10.603 -2.565 1.00 0.00 C ATOM 845 C GLY A 134 2.757 9.637 -1.517 1.00 0.00 C ATOM 846 O GLY A 134 3.477 8.751 -1.061 1.00 0.00 O ATOM 0 H GLY A 134 1.632 10.952 -3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.752 10.051 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.036 11.250 -2.129 1.00 0.00 H new ATOM 850 N GLN A 135 1.502 9.832 -1.119 1.00 0.00 N ATOM 851 CA GLN A 135 0.879 9.002 -0.103 1.00 0.00 C ATOM 852 C GLN A 135 -0.324 8.276 -0.680 1.00 0.00 C ATOM 853 O GLN A 135 -1.180 8.888 -1.317 1.00 0.00 O ATOM 854 CB GLN A 135 0.438 9.912 1.062 1.00 0.00 C ATOM 855 CG GLN A 135 1.414 9.787 2.228 1.00 0.00 C ATOM 856 CD GLN A 135 1.169 10.902 3.238 1.00 0.00 C ATOM 857 OE1 GLN A 135 0.808 12.014 2.860 1.00 0.00 O ATOM 858 NE2 GLN A 135 1.341 10.666 4.510 1.00 0.00 N ATOM 0 H GLN A 135 0.897 10.564 -1.491 1.00 0.00 H new ATOM 0 HA GLN A 135 1.589 8.255 0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 135 0.392 10.948 0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.565 9.638 1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.295 8.817 2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.439 9.837 1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.641 9.742 4.821 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.176 11.405 5.193 1.00 0.00 H new ATOM 867 N VAL A 136 -0.400 6.974 -0.438 1.00 0.00 N ATOM 868 CA VAL A 136 -1.531 6.205 -0.926 1.00 0.00 C ATOM 869 C VAL A 136 -2.698 6.399 0.035 1.00 0.00 C ATOM 870 O VAL A 136 -2.586 6.088 1.224 1.00 0.00 O ATOM 871 CB VAL A 136 -1.159 4.720 -1.009 1.00 0.00 C ATOM 872 CG1 VAL A 136 -2.410 3.875 -1.257 1.00 0.00 C ATOM 873 CG2 VAL A 136 -0.176 4.512 -2.159 1.00 0.00 C ATOM 0 H VAL A 136 0.295 6.439 0.083 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.811 6.546 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 136 -0.703 4.414 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.133 2.822 -1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.115 4.021 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.874 4.179 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.092 3.457 -2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.639 4.826 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.722 5.104 -1.982 1.00 0.00 H new ATOM 883 N ASN A 137 -3.822 6.902 -0.472 1.00 0.00 N ATOM 884 CA ASN A 137 -5.007 7.116 0.369 1.00 0.00 C ATOM 885 C ASN A 137 -5.987 5.955 0.202 1.00 0.00 C ATOM 886 O ASN A 137 -5.851 5.144 -0.715 1.00 0.00 O ATOM 887 CB ASN A 137 -5.694 8.433 -0.013 1.00 0.00 C ATOM 888 CG ASN A 137 -6.690 8.844 1.072 1.00 0.00 C ATOM 889 OD1 ASN A 137 -6.442 8.625 2.258 1.00 0.00 O ATOM 890 ND2 ASN A 137 -7.801 9.438 0.734 1.00 0.00 N ATOM 0 H ASN A 137 -3.941 7.168 -1.450 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.691 7.168 1.411 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.947 9.216 -0.146 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.210 8.319 -0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.467 9.722 1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -8.004 9.618 -0.249 1.00 0.00 H new ATOM 897 N TYR A 138 -6.965 5.865 1.096 1.00 0.00 N ATOM 898 CA TYR A 138 -7.937 4.776 1.034 1.00 0.00 C ATOM 899 C TYR A 138 -8.545 4.660 -0.364 1.00 0.00 C ATOM 900 O TYR A 138 -8.685 3.557 -0.891 1.00 0.00 O ATOM 901 CB TYR A 138 -9.055 5.021 2.047 1.00 0.00 C ATOM 902 CG TYR A 138 -10.032 3.870 2.001 1.00 0.00 C ATOM 903 CD1 TYR A 138 -9.739 2.677 2.674 1.00 0.00 C ATOM 904 CD2 TYR A 138 -11.229 3.995 1.288 1.00 0.00 C ATOM 905 CE1 TYR A 138 -10.644 1.612 2.634 1.00 0.00 C ATOM 906 CE2 TYR A 138 -12.133 2.928 1.247 1.00 0.00 C ATOM 907 CZ TYR A 138 -11.842 1.736 1.920 1.00 0.00 C ATOM 908 OH TYR A 138 -12.735 0.684 1.881 1.00 0.00 O ATOM 0 H TYR A 138 -7.107 6.522 1.863 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.418 3.847 1.268 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.638 5.119 3.049 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.567 5.957 1.822 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.814 2.580 3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.455 4.915 0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.419 0.693 3.154 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -13.056 3.024 0.695 1.00 0.00 H new ATOM 0 HH TYR A 138 -13.300 0.705 2.681 1.00 0.00 H new ATOM 918 N GLU A 139 -8.910 5.791 -0.961 1.00 0.00 N ATOM 919 CA GLU A 139 -9.514 5.773 -2.293 1.00 0.00 C ATOM 920 C GLU A 139 -8.583 5.109 -3.304 1.00 0.00 C ATOM 921 O GLU A 139 -9.006 4.280 -4.105 1.00 0.00 O ATOM 922 CB GLU A 139 -9.829 7.201 -2.741 1.00 0.00 C ATOM 923 CG GLU A 139 -10.561 7.175 -4.085 1.00 0.00 C ATOM 924 CD GLU A 139 -10.928 8.597 -4.500 1.00 0.00 C ATOM 925 OE1 GLU A 139 -10.426 9.520 -3.879 1.00 0.00 O ATOM 926 OE2 GLU A 139 -11.706 8.741 -5.429 1.00 0.00 O ATOM 0 H GLU A 139 -8.801 6.719 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.437 5.196 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.444 7.699 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.907 7.775 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -9.929 6.716 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -11.461 6.565 -4.008 1.00 0.00 H new ATOM 933 N GLU A 140 -7.315 5.466 -3.282 1.00 0.00 N ATOM 934 CA GLU A 140 -6.375 4.867 -4.211 1.00 0.00 C ATOM 935 C GLU A 140 -6.152 3.401 -3.856 1.00 0.00 C ATOM 936 O GLU A 140 -6.036 2.558 -4.738 1.00 0.00 O ATOM 937 CB GLU A 140 -5.054 5.623 -4.174 1.00 0.00 C ATOM 938 CG GLU A 140 -5.286 7.084 -4.619 1.00 0.00 C ATOM 939 CD GLU A 140 -4.311 8.021 -3.926 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.363 7.532 -3.339 1.00 0.00 O ATOM 941 OE2 GLU A 140 -4.534 9.217 -3.983 1.00 0.00 O ATOM 0 H GLU A 140 -6.916 6.155 -2.644 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.786 4.925 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.637 5.600 -3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.329 5.142 -4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.167 7.163 -5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.309 7.381 -4.388 1.00 0.00 H new ATOM 948 N PHE A 141 -6.096 3.105 -2.561 1.00 0.00 N ATOM 949 CA PHE A 141 -5.883 1.729 -2.130 1.00 0.00 C ATOM 950 C PHE A 141 -7.047 0.855 -2.577 1.00 0.00 C ATOM 951 O PHE A 141 -6.856 -0.142 -3.275 1.00 0.00 O ATOM 952 CB PHE A 141 -5.753 1.671 -0.605 1.00 0.00 C ATOM 953 CG PHE A 141 -5.240 0.312 -0.182 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.946 -0.087 -0.541 1.00 0.00 C ATOM 955 CD2 PHE A 141 -6.053 -0.546 0.573 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.466 -1.341 -0.146 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.569 -1.801 0.965 1.00 0.00 C ATOM 958 CZ PHE A 141 -4.275 -2.196 0.605 1.00 0.00 C ATOM 0 H PHE A 141 -6.193 3.784 -1.806 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.963 1.359 -2.583 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -5.073 2.450 -0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.720 1.864 -0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.319 0.573 -1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.050 -0.240 0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.468 -1.648 -0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.194 -2.464 1.545 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.902 -3.163 0.909 1.00 0.00 H new ATOM 968 N VAL A 142 -8.257 1.234 -2.175 1.00 0.00 N ATOM 969 CA VAL A 142 -9.435 0.459 -2.536 1.00 0.00 C ATOM 970 C VAL A 142 -9.535 0.367 -4.049 1.00 0.00 C ATOM 971 O VAL A 142 -9.790 -0.698 -4.605 1.00 0.00 O ATOM 972 CB VAL A 142 -10.694 1.117 -1.958 1.00 0.00 C ATOM 973 CG1 VAL A 142 -10.963 2.432 -2.673 1.00 0.00 C ATOM 974 CG2 VAL A 142 -11.893 0.187 -2.128 1.00 0.00 C ATOM 0 H VAL A 142 -8.444 2.061 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 142 -9.349 -0.546 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.538 1.309 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.858 2.895 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -10.113 3.100 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.111 2.244 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -12.783 0.662 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -12.049 -0.016 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -11.704 -0.749 -1.603 1.00 0.00 H new ATOM 984 N LYS A 143 -9.306 1.490 -4.714 1.00 0.00 N ATOM 985 CA LYS A 143 -9.353 1.527 -6.166 1.00 0.00 C ATOM 986 C LYS A 143 -8.272 0.623 -6.747 1.00 0.00 C ATOM 987 O LYS A 143 -8.544 -0.222 -7.596 1.00 0.00 O ATOM 988 CB LYS A 143 -9.142 2.968 -6.625 1.00 0.00 C ATOM 989 CG LYS A 143 -9.292 3.061 -8.141 1.00 0.00 C ATOM 990 CD LYS A 143 -9.128 4.518 -8.580 1.00 0.00 C ATOM 991 CE LYS A 143 -9.247 4.611 -10.101 1.00 0.00 C ATOM 992 NZ LYS A 143 -10.622 4.220 -10.519 1.00 0.00 N ATOM 0 H LYS A 143 -9.087 2.383 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 143 -10.321 1.169 -6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.865 3.623 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -8.151 3.312 -6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -8.545 2.436 -8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -10.270 2.686 -8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -9.889 5.139 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -8.159 4.899 -8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -9.031 5.627 -10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -8.513 3.959 -10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -11.003 4.935 -11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -10.590 3.297 -10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -11.234 4.155 -9.681 1.00 0.00 H new ATOM 1006 N MET A 144 -7.046 0.795 -6.258 1.00 0.00 N ATOM 1007 CA MET A 144 -5.925 -0.028 -6.718 1.00 0.00 C ATOM 1008 C MET A 144 -6.199 -1.477 -6.386 1.00 0.00 C ATOM 1009 O MET A 144 -5.911 -2.381 -7.164 1.00 0.00 O ATOM 1010 CB MET A 144 -4.639 0.395 -6.015 1.00 0.00 C ATOM 1011 CG MET A 144 -3.441 -0.407 -6.554 1.00 0.00 C ATOM 1012 SD MET A 144 -1.927 0.141 -5.722 1.00 0.00 S ATOM 1013 CE MET A 144 -2.032 -0.939 -4.274 1.00 0.00 C ATOM 0 H MET A 144 -6.803 1.489 -5.551 1.00 0.00 H new ATOM 0 HA MET A 144 -5.813 0.101 -7.794 1.00 0.00 H new ATOM 0 HB2 MET A 144 -4.468 1.461 -6.167 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.736 0.237 -4.941 1.00 0.00 H new ATOM 0 HG2 MET A 144 -3.597 -1.472 -6.385 1.00 0.00 H new ATOM 0 HG3 MET A 144 -3.349 -0.265 -7.631 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.178 -0.757 -3.621 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.954 -0.731 -3.731 1.00 0.00 H new ATOM 0 HE3 MET A 144 -2.027 -1.980 -4.596 1.00 0.00 H new ATOM 1023 N MET A 145 -6.765 -1.683 -5.211 1.00 0.00 N ATOM 1024 CA MET A 145 -7.088 -3.035 -4.769 1.00 0.00 C ATOM 1025 C MET A 145 -8.090 -3.663 -5.728 1.00 0.00 C ATOM 1026 O MET A 145 -7.987 -4.841 -6.060 1.00 0.00 O ATOM 1027 CB MET A 145 -7.652 -3.024 -3.343 1.00 0.00 C ATOM 1028 CG MET A 145 -7.917 -4.464 -2.883 1.00 0.00 C ATOM 1029 SD MET A 145 -8.538 -4.453 -1.183 1.00 0.00 S ATOM 1030 CE MET A 145 -6.958 -4.742 -0.348 1.00 0.00 C ATOM 0 H MET A 145 -7.009 -0.945 -4.550 1.00 0.00 H new ATOM 0 HA MET A 145 -6.173 -3.628 -4.766 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.948 -2.539 -2.667 1.00 0.00 H new ATOM 0 HB3 MET A 145 -8.575 -2.445 -3.311 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.642 -4.940 -3.543 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.000 -5.050 -2.942 1.00 0.00 H new ATOM 0 HE1 MET A 145 -7.073 -4.562 0.721 1.00 0.00 H new ATOM 0 HE2 MET A 145 -6.644 -5.773 -0.510 1.00 0.00 H new ATOM 0 HE3 MET A 145 -6.204 -4.065 -0.751 1.00 0.00 H new ATOM 1040 N MET A 146 -9.055 -2.869 -6.181 1.00 0.00 N ATOM 1041 CA MET A 146 -10.056 -3.369 -7.112 1.00 0.00 C ATOM 1042 C MET A 146 -9.396 -3.761 -8.427 1.00 0.00 C ATOM 1043 O MET A 146 -9.741 -4.777 -9.027 1.00 0.00 O ATOM 1044 CB MET A 146 -11.123 -2.293 -7.359 1.00 0.00 C ATOM 1045 CG MET A 146 -12.076 -2.219 -6.161 1.00 0.00 C ATOM 1046 SD MET A 146 -13.061 -3.736 -6.060 1.00 0.00 S ATOM 1047 CE MET A 146 -14.149 -3.414 -7.470 1.00 0.00 C ATOM 0 H MET A 146 -9.164 -1.889 -5.922 1.00 0.00 H new ATOM 0 HA MET A 146 -10.533 -4.249 -6.681 1.00 0.00 H new ATOM 0 HB2 MET A 146 -10.647 -1.325 -7.516 1.00 0.00 H new ATOM 0 HB3 MET A 146 -11.682 -2.524 -8.266 1.00 0.00 H new ATOM 0 HG2 MET A 146 -11.507 -2.083 -5.241 1.00 0.00 H new ATOM 0 HG3 MET A 146 -12.733 -1.355 -6.261 1.00 0.00 H new ATOM 0 HE1 MET A 146 -15.184 -3.595 -7.180 1.00 0.00 H new ATOM 0 HE2 MET A 146 -14.037 -2.377 -7.787 1.00 0.00 H new ATOM 0 HE3 MET A 146 -13.883 -4.076 -8.294 1.00 0.00 H new ATOM 1057 N THR A 147 -8.443 -2.948 -8.870 1.00 0.00 N ATOM 1058 CA THR A 147 -7.737 -3.223 -10.117 1.00 0.00 C ATOM 1059 C THR A 147 -7.262 -4.671 -10.151 1.00 0.00 C ATOM 1060 O THR A 147 -6.899 -5.193 -11.204 1.00 0.00 O ATOM 1061 CB THR A 147 -6.537 -2.278 -10.259 1.00 0.00 C ATOM 1062 OG1 THR A 147 -6.968 -0.938 -10.065 1.00 0.00 O ATOM 1063 CG2 THR A 147 -5.925 -2.421 -11.654 1.00 0.00 C ATOM 0 H THR A 147 -8.143 -2.100 -8.389 1.00 0.00 H new ATOM 0 HA THR A 147 -8.423 -3.060 -10.948 1.00 0.00 H new ATOM 0 HB THR A 147 -5.786 -2.534 -9.511 1.00 0.00 H new ATOM 0 HG1 THR A 147 -6.203 -0.332 -10.153 1.00 0.00 H new ATOM 0 HG21 THR A 147 -5.073 -1.747 -11.748 1.00 0.00 H new ATOM 0 HG22 THR A 147 -5.593 -3.449 -11.802 1.00 0.00 H new ATOM 0 HG23 THR A 147 -6.672 -2.169 -12.407 1.00 0.00 H new ATOM 1071 N VAL A 148 -7.267 -5.316 -8.989 1.00 0.00 N ATOM 1072 CA VAL A 148 -6.837 -6.706 -8.894 1.00 0.00 C ATOM 1073 C VAL A 148 -7.944 -7.640 -9.383 1.00 0.00 C ATOM 1074 O VAL A 148 -7.770 -8.857 -9.419 1.00 0.00 O ATOM 1075 CB VAL A 148 -6.461 -7.040 -7.445 1.00 0.00 C ATOM 1076 CG1 VAL A 148 -5.901 -8.466 -7.362 1.00 0.00 C ATOM 1077 CG2 VAL A 148 -5.399 -6.048 -6.959 1.00 0.00 C ATOM 0 H VAL A 148 -7.562 -4.901 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 148 -5.961 -6.847 -9.527 1.00 0.00 H new ATOM 0 HB VAL A 148 -7.350 -6.970 -6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -5.637 -8.694 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -6.654 -9.173 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -5.013 -8.545 -7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -5.128 -6.281 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -4.515 -6.122 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -5.798 -5.035 -7.009 1.00 0.00 H new ATOM 1087 N ARG A 149 -9.080 -7.065 -9.763 1.00 0.00 N ATOM 1088 CA ARG A 149 -10.205 -7.864 -10.253 1.00 0.00 C ATOM 1089 C ARG A 149 -10.154 -7.982 -11.771 1.00 0.00 C ATOM 1090 O ARG A 149 -11.163 -7.710 -12.401 1.00 0.00 O ATOM 1091 CB ARG A 149 -11.528 -7.221 -9.829 1.00 0.00 C ATOM 1092 CG ARG A 149 -11.697 -7.326 -8.300 1.00 0.00 C ATOM 1093 CD ARG A 149 -12.351 -8.663 -7.936 1.00 0.00 C ATOM 1094 NE ARG A 149 -13.724 -8.694 -8.425 1.00 0.00 N ATOM 1095 CZ ARG A 149 -14.435 -9.811 -8.379 1.00 0.00 C ATOM 1096 NH1 ARG A 149 -13.899 -10.898 -7.897 1.00 0.00 N ATOM 1097 NH2 ARG A 149 -15.666 -9.826 -8.817 1.00 0.00 N ATOM 1098 OXT ARG A 149 -9.110 -8.351 -12.281 1.00 0.00 O ATOM 0 H ARG A 149 -9.249 -6.059 -9.743 1.00 0.00 H new ATOM 0 HA ARG A 149 -10.135 -8.862 -9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 149 -11.548 -6.175 -10.135 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -12.360 -7.716 -10.330 1.00 0.00 H new ATOM 0 HG2 ARG A 149 -10.726 -7.242 -7.812 1.00 0.00 H new ATOM 0 HG3 ARG A 149 -12.309 -6.501 -7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -11.783 -9.486 -8.370 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -12.338 -8.802 -6.855 1.00 0.00 H new ATOM 0 HE ARG A 149 -14.142 -7.846 -8.807 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -12.937 -10.885 -7.558 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -14.442 -11.761 -7.859 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -16.083 -8.976 -9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -16.210 -10.688 -8.780 1.00 0.00 H new TER 1112 ARG A 149 HETATM 1113 CA CA A 221 1.336 4.938 7.377 1.00 0.00 CA HETATM 1114 CA CA A 234 -2.027 9.746 -3.579 1.00 0.00 CA