USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 829 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 180:sc= 0.697 USER MOD Set 1.2: A 69 SER OG : rot -139:sc= 0.784 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.313 (180deg=-0.469) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 101:sc= 0.225 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.332 K(o=0.33,f=-3.6!) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.024) USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= 0.697 (180deg=0.63) USER MOD Single : A 34 GLN : amide:sc= 0.114 K(o=0.11,f=0.7) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.209 K(o=-0.21,f=-3.2!) USER MOD Single : A 39 ASN : amide:sc= -0.217 K(o=-0.22,f=-4.1!) USER MOD Single : A 41 THR OG1 : rot -170: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= -0.0607 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= 0.581 (180deg=0.411) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 67:sc= 0.247 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 -70:sc= 0.855 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.763 -3.996 20.853 1.00 33.01 N ATOM 2 CA MET A 1 -4.331 -3.407 19.569 1.00 71.54 C ATOM 3 C MET A 1 -2.972 -4.005 19.150 1.00 41.33 C ATOM 4 O MET A 1 -2.002 -3.944 19.908 1.00 21.31 O ATOM 5 CB MET A 1 -4.257 -1.855 19.674 1.00 42.43 C ATOM 6 CG MET A 1 -3.750 -1.154 18.409 1.00 11.20 C ATOM 7 SD MET A 1 -3.713 0.643 18.542 1.00 70.52 S ATOM 8 CE MET A 1 -5.461 1.045 18.553 1.00 12.33 C ATOM 0 H1 MET A 1 -5.679 -3.590 21.131 1.00 33.01 H new ATOM 0 H2 MET A 1 -4.859 -5.026 20.748 1.00 33.01 H new ATOM 0 H3 MET A 1 -4.055 -3.787 21.586 1.00 33.01 H new ATOM 0 HA MET A 1 -5.065 -3.650 18.801 1.00 71.54 H new ATOM 0 HB2 MET A 1 -5.249 -1.472 19.913 1.00 42.43 H new ATOM 0 HB3 MET A 1 -3.605 -1.591 20.506 1.00 42.43 H new ATOM 0 HG2 MET A 1 -2.746 -1.513 18.183 1.00 11.20 H new ATOM 0 HG3 MET A 1 -4.386 -1.434 17.569 1.00 11.20 H new ATOM 0 HE1 MET A 1 -5.588 2.119 18.417 1.00 12.33 H new ATOM 0 HE2 MET A 1 -5.961 0.514 17.743 1.00 12.33 H new ATOM 0 HE3 MET A 1 -5.897 0.746 19.506 1.00 12.33 H new ATOM 20 N LEU A 2 -2.930 -4.585 17.937 1.00 22.44 N ATOM 21 CA LEU A 2 -1.729 -5.217 17.363 1.00 34.25 C ATOM 22 C LEU A 2 -1.398 -4.599 15.995 1.00 4.22 C ATOM 23 O LEU A 2 -2.256 -3.972 15.367 1.00 53.13 O ATOM 24 CB LEU A 2 -1.930 -6.773 17.280 1.00 51.52 C ATOM 25 CG LEU A 2 -3.272 -7.317 16.644 1.00 35.21 C ATOM 26 CD1 LEU A 2 -3.356 -7.111 15.117 1.00 1.24 C ATOM 27 CD2 LEU A 2 -3.496 -8.808 16.996 1.00 24.15 C ATOM 0 H LEU A 2 -3.741 -4.628 17.320 1.00 22.44 H new ATOM 0 HA LEU A 2 -0.874 -5.030 18.013 1.00 34.25 H new ATOM 0 HB2 LEU A 2 -1.099 -7.187 16.709 1.00 51.52 H new ATOM 0 HB3 LEU A 2 -1.853 -7.174 18.291 1.00 51.52 H new ATOM 0 HG LEU A 2 -4.070 -6.720 17.086 1.00 35.21 H new ATOM 0 HD11 LEU A 2 -4.302 -7.507 14.748 1.00 1.24 H new ATOM 0 HD12 LEU A 2 -3.295 -6.047 14.890 1.00 1.24 H new ATOM 0 HD13 LEU A 2 -2.530 -7.633 14.633 1.00 1.24 H new ATOM 0 HD21 LEU A 2 -4.426 -9.153 16.545 1.00 24.15 H new ATOM 0 HD22 LEU A 2 -2.665 -9.401 16.613 1.00 24.15 H new ATOM 0 HD23 LEU A 2 -3.554 -8.922 18.079 1.00 24.15 H new ATOM 39 N THR A 3 -0.146 -4.750 15.559 1.00 13.33 N ATOM 40 CA THR A 3 0.271 -4.386 14.198 1.00 25.55 C ATOM 41 C THR A 3 0.269 -5.633 13.301 1.00 71.40 C ATOM 42 O THR A 3 0.476 -6.754 13.785 1.00 11.31 O ATOM 43 CB THR A 3 1.689 -3.734 14.185 1.00 12.12 C ATOM 44 OG1 THR A 3 2.650 -4.615 14.783 1.00 32.24 O ATOM 45 CG2 THR A 3 1.716 -2.387 14.915 1.00 32.14 C ATOM 0 H THR A 3 0.607 -5.126 16.135 1.00 13.33 H new ATOM 0 HA THR A 3 -0.440 -3.654 13.817 1.00 25.55 H new ATOM 0 HB THR A 3 1.945 -3.557 13.140 1.00 12.12 H new ATOM 0 HG1 THR A 3 3.162 -5.067 14.080 1.00 32.24 H new ATOM 0 HG21 THR A 3 2.724 -1.974 14.878 1.00 32.14 H new ATOM 0 HG22 THR A 3 1.023 -1.698 14.432 1.00 32.14 H new ATOM 0 HG23 THR A 3 1.420 -2.530 15.954 1.00 32.14 H new ATOM 53 N VAL A 4 -0.003 -5.433 12.007 1.00 52.33 N ATOM 54 CA VAL A 4 0.154 -6.470 10.975 1.00 73.21 C ATOM 55 C VAL A 4 1.028 -5.900 9.846 1.00 64.05 C ATOM 56 O VAL A 4 0.727 -4.847 9.275 1.00 12.42 O ATOM 57 CB VAL A 4 -1.237 -6.984 10.418 1.00 73.24 C ATOM 58 CG1 VAL A 4 -2.078 -5.851 9.801 1.00 21.51 C ATOM 59 CG2 VAL A 4 -1.052 -8.150 9.410 1.00 24.02 C ATOM 0 H VAL A 4 -0.340 -4.543 11.642 1.00 52.33 H new ATOM 0 HA VAL A 4 0.636 -7.340 11.421 1.00 73.21 H new ATOM 0 HB VAL A 4 -1.791 -7.364 11.276 1.00 73.24 H new ATOM 0 HG11 VAL A 4 -3.021 -6.256 9.434 1.00 21.51 H new ATOM 0 HG12 VAL A 4 -2.279 -5.093 10.558 1.00 21.51 H new ATOM 0 HG13 VAL A 4 -1.530 -5.401 8.973 1.00 21.51 H new ATOM 0 HG21 VAL A 4 -2.027 -8.477 9.049 1.00 24.02 H new ATOM 0 HG22 VAL A 4 -0.448 -7.811 8.568 1.00 24.02 H new ATOM 0 HG23 VAL A 4 -0.551 -8.982 9.904 1.00 24.02 H new ATOM 69 N GLU A 5 2.142 -6.569 9.568 1.00 15.14 N ATOM 70 CA GLU A 5 3.026 -6.215 8.465 1.00 30.55 C ATOM 71 C GLU A 5 2.663 -7.076 7.256 1.00 3.22 C ATOM 72 O GLU A 5 2.328 -8.262 7.392 1.00 34.43 O ATOM 73 CB GLU A 5 4.521 -6.432 8.831 1.00 62.02 C ATOM 74 CG GLU A 5 5.033 -5.632 10.054 1.00 41.51 C ATOM 75 CD GLU A 5 4.564 -6.187 11.413 1.00 1.23 C ATOM 76 OE1 GLU A 5 5.081 -7.240 11.843 1.00 52.50 O ATOM 77 OE2 GLU A 5 3.692 -5.576 12.068 1.00 35.44 O ATOM 0 H GLU A 5 2.458 -7.376 10.105 1.00 15.14 H new ATOM 0 HA GLU A 5 2.894 -5.157 8.240 1.00 30.55 H new ATOM 0 HB2 GLU A 5 4.680 -7.493 9.021 1.00 62.02 H new ATOM 0 HB3 GLU A 5 5.130 -6.169 7.966 1.00 62.02 H new ATOM 0 HG2 GLU A 5 6.123 -5.620 10.036 1.00 41.51 H new ATOM 0 HG3 GLU A 5 4.701 -4.598 9.962 1.00 41.51 H new ATOM 84 N VAL A 6 2.715 -6.454 6.088 1.00 34.44 N ATOM 85 CA VAL A 6 2.599 -7.116 4.798 1.00 42.25 C ATOM 86 C VAL A 6 3.602 -6.437 3.859 1.00 60.01 C ATOM 87 O VAL A 6 3.567 -5.215 3.660 1.00 13.13 O ATOM 88 CB VAL A 6 1.118 -7.059 4.234 1.00 42.13 C ATOM 89 CG1 VAL A 6 0.568 -5.620 4.189 1.00 54.12 C ATOM 90 CG2 VAL A 6 1.017 -7.743 2.847 1.00 30.52 C ATOM 0 H VAL A 6 2.843 -5.445 6.010 1.00 34.44 H new ATOM 0 HA VAL A 6 2.826 -8.178 4.891 1.00 42.25 H new ATOM 0 HB VAL A 6 0.492 -7.617 4.930 1.00 42.13 H new ATOM 0 HG11 VAL A 6 -0.449 -5.631 3.796 1.00 54.12 H new ATOM 0 HG12 VAL A 6 0.564 -5.201 5.195 1.00 54.12 H new ATOM 0 HG13 VAL A 6 1.200 -5.009 3.544 1.00 54.12 H new ATOM 0 HG21 VAL A 6 -0.011 -7.687 2.488 1.00 30.52 H new ATOM 0 HG22 VAL A 6 1.676 -7.236 2.142 1.00 30.52 H new ATOM 0 HG23 VAL A 6 1.315 -8.788 2.934 1.00 30.52 H new ATOM 100 N GLU A 7 4.534 -7.227 3.336 1.00 62.03 N ATOM 101 CA GLU A 7 5.595 -6.739 2.468 1.00 41.41 C ATOM 102 C GLU A 7 5.136 -6.892 1.017 1.00 65.22 C ATOM 103 O GLU A 7 5.045 -8.008 0.487 1.00 32.13 O ATOM 104 CB GLU A 7 6.892 -7.528 2.753 1.00 1.45 C ATOM 105 CG GLU A 7 8.147 -6.979 2.049 1.00 40.42 C ATOM 106 CD GLU A 7 9.424 -7.724 2.451 1.00 61.31 C ATOM 107 OE1 GLU A 7 9.686 -7.837 3.669 1.00 53.25 O ATOM 108 OE2 GLU A 7 10.164 -8.209 1.566 1.00 33.14 O ATOM 0 H GLU A 7 4.573 -8.232 3.505 1.00 62.03 H new ATOM 0 HA GLU A 7 5.806 -5.686 2.655 1.00 41.41 H new ATOM 0 HB2 GLU A 7 7.069 -7.534 3.829 1.00 1.45 H new ATOM 0 HB3 GLU A 7 6.745 -8.564 2.448 1.00 1.45 H new ATOM 0 HG2 GLU A 7 8.014 -7.051 0.970 1.00 40.42 H new ATOM 0 HG3 GLU A 7 8.258 -5.921 2.287 1.00 40.42 H new ATOM 115 N VAL A 8 4.793 -5.757 0.408 1.00 52.22 N ATOM 116 CA VAL A 8 4.386 -5.677 -0.986 1.00 42.31 C ATOM 117 C VAL A 8 5.614 -5.272 -1.815 1.00 20.41 C ATOM 118 O VAL A 8 6.047 -4.116 -1.790 1.00 32.22 O ATOM 119 CB VAL A 8 3.213 -4.632 -1.168 1.00 14.31 C ATOM 120 CG1 VAL A 8 2.713 -4.611 -2.628 1.00 15.00 C ATOM 121 CG2 VAL A 8 2.051 -4.921 -0.179 1.00 34.24 C ATOM 0 H VAL A 8 4.792 -4.854 0.882 1.00 52.22 H new ATOM 0 HA VAL A 8 4.011 -6.643 -1.323 1.00 42.31 H new ATOM 0 HB VAL A 8 3.606 -3.642 -0.937 1.00 14.31 H new ATOM 0 HG11 VAL A 8 1.907 -3.884 -2.726 1.00 15.00 H new ATOM 0 HG12 VAL A 8 3.534 -4.334 -3.290 1.00 15.00 H new ATOM 0 HG13 VAL A 8 2.345 -5.600 -2.901 1.00 15.00 H new ATOM 0 HG21 VAL A 8 1.258 -4.188 -0.325 1.00 34.24 H new ATOM 0 HG22 VAL A 8 1.659 -5.921 -0.361 1.00 34.24 H new ATOM 0 HG23 VAL A 8 2.420 -4.857 0.845 1.00 34.24 H new ATOM 131 N LYS A 9 6.174 -6.245 -2.537 1.00 75.22 N ATOM 132 CA LYS A 9 7.353 -6.055 -3.379 1.00 2.53 C ATOM 133 C LYS A 9 6.883 -5.623 -4.777 1.00 63.10 C ATOM 134 O LYS A 9 6.407 -6.443 -5.570 1.00 61.12 O ATOM 135 CB LYS A 9 8.154 -7.382 -3.421 1.00 34.04 C ATOM 136 CG LYS A 9 9.534 -7.297 -4.112 1.00 3.24 C ATOM 137 CD LYS A 9 10.228 -8.678 -4.221 1.00 32.11 C ATOM 138 CE LYS A 9 10.469 -9.344 -2.855 1.00 52.02 C ATOM 139 NZ LYS A 9 10.904 -10.761 -3.001 1.00 21.34 N ATOM 0 H LYS A 9 5.815 -7.200 -2.552 1.00 75.22 H new ATOM 0 HA LYS A 9 8.009 -5.280 -2.982 1.00 2.53 H new ATOM 0 HB2 LYS A 9 8.298 -7.733 -2.399 1.00 34.04 H new ATOM 0 HB3 LYS A 9 7.554 -8.134 -3.934 1.00 34.04 H new ATOM 0 HG2 LYS A 9 9.412 -6.875 -5.110 1.00 3.24 H new ATOM 0 HG3 LYS A 9 10.175 -6.615 -3.554 1.00 3.24 H new ATOM 0 HD2 LYS A 9 9.616 -9.337 -4.837 1.00 32.11 H new ATOM 0 HD3 LYS A 9 11.183 -8.558 -4.733 1.00 32.11 H new ATOM 0 HE2 LYS A 9 11.228 -8.785 -2.307 1.00 52.02 H new ATOM 0 HE3 LYS A 9 9.554 -9.303 -2.264 1.00 52.02 H new ATOM 0 HZ1 LYS A 9 11.056 -11.176 -2.060 1.00 21.34 H new ATOM 0 HZ2 LYS A 9 10.169 -11.300 -3.502 1.00 21.34 H new ATOM 0 HZ3 LYS A 9 11.791 -10.798 -3.543 1.00 21.34 H new ATOM 153 N ILE A 10 7.015 -4.330 -5.065 1.00 21.45 N ATOM 154 CA ILE A 10 6.470 -3.704 -6.273 1.00 23.12 C ATOM 155 C ILE A 10 7.549 -3.667 -7.368 1.00 4.40 C ATOM 156 O ILE A 10 8.529 -2.912 -7.268 1.00 34.12 O ATOM 157 CB ILE A 10 5.969 -2.243 -5.960 1.00 13.31 C ATOM 158 CG1 ILE A 10 4.887 -2.267 -4.832 1.00 14.42 C ATOM 159 CG2 ILE A 10 5.440 -1.553 -7.242 1.00 13.14 C ATOM 160 CD1 ILE A 10 4.326 -0.914 -4.445 1.00 44.33 C ATOM 0 H ILE A 10 7.510 -3.676 -4.459 1.00 21.45 H new ATOM 0 HA ILE A 10 5.621 -4.292 -6.622 1.00 23.12 H new ATOM 0 HB ILE A 10 6.814 -1.656 -5.600 1.00 13.31 H new ATOM 0 HG12 ILE A 10 4.064 -2.905 -5.154 1.00 14.42 H new ATOM 0 HG13 ILE A 10 5.320 -2.730 -3.945 1.00 14.42 H new ATOM 0 HG21 ILE A 10 5.100 -0.546 -6.999 1.00 13.14 H new ATOM 0 HG22 ILE A 10 6.239 -1.498 -7.982 1.00 13.14 H new ATOM 0 HG23 ILE A 10 4.608 -2.129 -7.648 1.00 13.14 H new ATOM 0 HD11 ILE A 10 3.584 -1.040 -3.656 1.00 44.33 H new ATOM 0 HD12 ILE A 10 5.133 -0.275 -4.086 1.00 44.33 H new ATOM 0 HD13 ILE A 10 3.857 -0.453 -5.314 1.00 44.33 H new ATOM 172 N THR A 11 7.379 -4.514 -8.391 1.00 24.23 N ATOM 173 CA THR A 11 8.228 -4.528 -9.581 1.00 1.04 C ATOM 174 C THR A 11 7.428 -3.956 -10.784 1.00 52.32 C ATOM 175 O THR A 11 6.466 -4.555 -11.270 1.00 13.34 O ATOM 176 CB THR A 11 8.809 -5.968 -9.860 1.00 11.21 C ATOM 177 OG1 THR A 11 9.678 -5.944 -11.005 1.00 40.14 O ATOM 178 CG2 THR A 11 7.732 -7.051 -10.062 1.00 64.01 C ATOM 0 H THR A 11 6.639 -5.215 -8.412 1.00 24.23 H new ATOM 0 HA THR A 11 9.096 -3.889 -9.417 1.00 1.04 H new ATOM 0 HB THR A 11 9.363 -6.239 -8.961 1.00 11.21 H new ATOM 0 HG1 THR A 11 10.033 -6.843 -11.165 1.00 40.14 H new ATOM 0 HG21 THR A 11 8.212 -8.011 -10.249 1.00 64.01 H new ATOM 0 HG22 THR A 11 7.115 -7.122 -9.166 1.00 64.01 H new ATOM 0 HG23 THR A 11 7.106 -6.787 -10.914 1.00 64.01 H new ATOM 186 N ALA A 12 7.831 -2.758 -11.232 1.00 71.20 N ATOM 187 CA ALA A 12 7.166 -2.005 -12.314 1.00 55.31 C ATOM 188 C ALA A 12 8.239 -1.486 -13.293 1.00 2.23 C ATOM 189 O ALA A 12 9.424 -1.452 -12.940 1.00 0.11 O ATOM 190 CB ALA A 12 6.322 -0.867 -11.722 1.00 2.14 C ATOM 0 H ALA A 12 8.642 -2.274 -10.848 1.00 71.20 H new ATOM 0 HA ALA A 12 6.485 -2.653 -12.866 1.00 55.31 H new ATOM 0 HB1 ALA A 12 5.836 -0.318 -12.528 1.00 2.14 H new ATOM 0 HB2 ALA A 12 5.565 -1.283 -11.058 1.00 2.14 H new ATOM 0 HB3 ALA A 12 6.966 -0.191 -11.159 1.00 2.14 H new ATOM 196 N ASP A 13 7.805 -1.075 -14.509 1.00 52.24 N ATOM 197 CA ASP A 13 8.706 -0.726 -15.640 1.00 13.44 C ATOM 198 C ASP A 13 9.683 0.393 -15.233 1.00 4.32 C ATOM 199 O ASP A 13 10.896 0.305 -15.470 1.00 12.04 O ATOM 200 CB ASP A 13 7.860 -0.304 -16.881 1.00 24.32 C ATOM 201 CG ASP A 13 8.650 -0.281 -18.213 1.00 62.54 C ATOM 202 OD1 ASP A 13 9.560 0.558 -18.382 1.00 62.32 O ATOM 203 OD2 ASP A 13 8.372 -1.120 -19.105 1.00 54.23 O ATOM 0 H ASP A 13 6.816 -0.975 -14.736 1.00 52.24 H new ATOM 0 HA ASP A 13 9.297 -1.603 -15.904 1.00 13.44 H new ATOM 0 HB2 ASP A 13 7.019 -0.990 -16.983 1.00 24.32 H new ATOM 0 HB3 ASP A 13 7.443 0.687 -16.702 1.00 24.32 H new ATOM 208 N ASP A 14 9.127 1.434 -14.603 1.00 73.23 N ATOM 209 CA ASP A 14 9.897 2.513 -13.983 1.00 52.35 C ATOM 210 C ASP A 14 9.538 2.568 -12.494 1.00 52.21 C ATOM 211 O ASP A 14 8.517 3.156 -12.130 1.00 61.24 O ATOM 212 CB ASP A 14 9.602 3.878 -14.663 1.00 33.31 C ATOM 213 CG ASP A 14 10.264 4.033 -16.038 1.00 33.51 C ATOM 214 OD1 ASP A 14 9.658 3.665 -17.056 1.00 13.30 O ATOM 215 OD2 ASP A 14 11.413 4.526 -16.107 1.00 60.20 O ATOM 0 H ASP A 14 8.118 1.550 -14.509 1.00 73.23 H new ATOM 0 HA ASP A 14 10.962 2.314 -14.106 1.00 52.35 H new ATOM 0 HB2 ASP A 14 8.524 3.995 -14.773 1.00 33.31 H new ATOM 0 HB3 ASP A 14 9.945 4.681 -14.011 1.00 33.31 H new ATOM 220 N GLU A 15 10.375 1.946 -11.635 1.00 65.44 N ATOM 221 CA GLU A 15 10.119 1.844 -10.179 1.00 72.24 C ATOM 222 C GLU A 15 10.189 3.243 -9.507 1.00 74.13 C ATOM 223 O GLU A 15 9.583 3.468 -8.463 1.00 42.14 O ATOM 224 CB GLU A 15 11.111 0.835 -9.496 1.00 23.43 C ATOM 225 CG GLU A 15 12.444 1.421 -8.936 1.00 14.03 C ATOM 226 CD GLU A 15 13.510 1.862 -9.971 1.00 50.34 C ATOM 227 OE1 GLU A 15 13.166 2.270 -11.097 1.00 32.45 O ATOM 228 OE2 GLU A 15 14.713 1.850 -9.629 1.00 10.12 O ATOM 0 H GLU A 15 11.245 1.501 -11.929 1.00 65.44 H new ATOM 0 HA GLU A 15 9.110 1.455 -10.042 1.00 72.24 H new ATOM 0 HB2 GLU A 15 10.585 0.346 -8.676 1.00 23.43 H new ATOM 0 HB3 GLU A 15 11.360 0.061 -10.222 1.00 23.43 H new ATOM 0 HG2 GLU A 15 12.200 2.282 -8.313 1.00 14.03 H new ATOM 0 HG3 GLU A 15 12.895 0.673 -8.283 1.00 14.03 H new ATOM 235 N ASN A 16 10.955 4.158 -10.133 1.00 44.24 N ATOM 236 CA ASN A 16 11.080 5.563 -9.711 1.00 44.02 C ATOM 237 C ASN A 16 9.724 6.292 -9.821 1.00 62.30 C ATOM 238 O ASN A 16 9.298 6.995 -8.892 1.00 11.04 O ATOM 239 CB ASN A 16 12.152 6.258 -10.583 1.00 75.13 C ATOM 240 CG ASN A 16 12.490 7.674 -10.129 1.00 50.31 C ATOM 241 OD1 ASN A 16 12.481 7.973 -8.934 1.00 63.41 O ATOM 242 ND2 ASN A 16 12.785 8.550 -11.074 1.00 61.23 N ATOM 0 H ASN A 16 11.512 3.936 -10.958 1.00 44.24 H new ATOM 0 HA ASN A 16 11.387 5.600 -8.666 1.00 44.02 H new ATOM 0 HB2 ASN A 16 13.061 5.656 -10.573 1.00 75.13 H new ATOM 0 HB3 ASN A 16 11.802 6.291 -11.615 1.00 75.13 H new ATOM 0 HD21 ASN A 16 13.016 9.512 -10.824 1.00 61.23 H new ATOM 0 HD22 ASN A 16 12.782 8.264 -12.053 1.00 61.23 H new ATOM 249 N LYS A 17 9.058 6.090 -10.979 1.00 72.11 N ATOM 250 CA LYS A 17 7.685 6.576 -11.216 1.00 61.21 C ATOM 251 C LYS A 17 6.704 5.884 -10.262 1.00 1.20 C ATOM 252 O LYS A 17 5.861 6.543 -9.655 1.00 0.11 O ATOM 253 CB LYS A 17 7.252 6.325 -12.688 1.00 44.02 C ATOM 254 CG LYS A 17 8.119 7.051 -13.731 1.00 53.23 C ATOM 255 CD LYS A 17 8.121 8.588 -13.547 1.00 22.10 C ATOM 256 CE LYS A 17 9.109 9.286 -14.496 1.00 63.30 C ATOM 257 NZ LYS A 17 8.801 9.023 -15.926 1.00 41.13 N ATOM 0 H LYS A 17 9.457 5.587 -11.772 1.00 72.11 H new ATOM 0 HA LYS A 17 7.671 7.650 -11.029 1.00 61.21 H new ATOM 0 HB2 LYS A 17 7.284 5.254 -12.887 1.00 44.02 H new ATOM 0 HB3 LYS A 17 6.216 6.641 -12.809 1.00 44.02 H new ATOM 0 HG2 LYS A 17 9.142 6.681 -13.667 1.00 53.23 H new ATOM 0 HG3 LYS A 17 7.755 6.810 -14.730 1.00 53.23 H new ATOM 0 HD2 LYS A 17 7.117 8.974 -13.722 1.00 22.10 H new ATOM 0 HD3 LYS A 17 8.379 8.828 -12.516 1.00 22.10 H new ATOM 0 HE2 LYS A 17 9.087 10.360 -14.314 1.00 63.30 H new ATOM 0 HE3 LYS A 17 10.121 8.947 -14.277 1.00 63.30 H new ATOM 0 HZ1 LYS A 17 9.462 9.555 -16.527 1.00 41.13 H new ATOM 0 HZ2 LYS A 17 8.898 8.006 -16.121 1.00 41.13 H new ATOM 0 HZ3 LYS A 17 7.827 9.324 -16.132 1.00 41.13 H new ATOM 271 N ALA A 18 6.871 4.550 -10.129 1.00 24.04 N ATOM 272 CA ALA A 18 6.032 3.691 -9.273 1.00 53.13 C ATOM 273 C ALA A 18 6.042 4.161 -7.811 1.00 3.44 C ATOM 274 O ALA A 18 5.019 4.109 -7.133 1.00 11.24 O ATOM 275 CB ALA A 18 6.509 2.236 -9.369 1.00 75.24 C ATOM 0 H ALA A 18 7.602 4.036 -10.620 1.00 24.04 H new ATOM 0 HA ALA A 18 5.005 3.760 -9.631 1.00 53.13 H new ATOM 0 HB1 ALA A 18 5.885 1.606 -8.735 1.00 75.24 H new ATOM 0 HB2 ALA A 18 6.435 1.896 -10.402 1.00 75.24 H new ATOM 0 HB3 ALA A 18 7.546 2.170 -9.039 1.00 75.24 H new ATOM 281 N GLU A 19 7.215 4.656 -7.365 1.00 43.35 N ATOM 282 CA GLU A 19 7.409 5.204 -6.016 1.00 33.23 C ATOM 283 C GLU A 19 6.505 6.434 -5.813 1.00 52.40 C ATOM 284 O GLU A 19 5.710 6.476 -4.871 1.00 71.44 O ATOM 285 CB GLU A 19 8.896 5.607 -5.798 1.00 43.11 C ATOM 286 CG GLU A 19 9.212 6.103 -4.366 1.00 54.42 C ATOM 287 CD GLU A 19 10.465 6.990 -4.272 1.00 13.31 C ATOM 288 OE1 GLU A 19 11.576 6.496 -4.534 1.00 70.04 O ATOM 289 OE2 GLU A 19 10.344 8.186 -3.916 1.00 21.51 O ATOM 0 H GLU A 19 8.058 4.685 -7.939 1.00 43.35 H new ATOM 0 HA GLU A 19 7.143 4.435 -5.290 1.00 33.23 H new ATOM 0 HB2 GLU A 19 9.530 4.750 -6.022 1.00 43.11 H new ATOM 0 HB3 GLU A 19 9.157 6.391 -6.509 1.00 43.11 H new ATOM 0 HG2 GLU A 19 8.355 6.661 -3.989 1.00 54.42 H new ATOM 0 HG3 GLU A 19 9.341 5.239 -3.714 1.00 54.42 H new ATOM 296 N GLU A 20 6.611 7.396 -6.758 1.00 70.12 N ATOM 297 CA GLU A 20 5.861 8.666 -6.719 1.00 13.00 C ATOM 298 C GLU A 20 4.339 8.434 -6.693 1.00 12.01 C ATOM 299 O GLU A 20 3.614 9.073 -5.903 1.00 24.03 O ATOM 300 CB GLU A 20 6.240 9.551 -7.938 1.00 60.50 C ATOM 301 CG GLU A 20 7.683 10.084 -7.920 1.00 23.52 C ATOM 302 CD GLU A 20 7.975 10.983 -6.701 1.00 54.30 C ATOM 303 OE1 GLU A 20 7.581 12.173 -6.714 1.00 43.51 O ATOM 304 OE2 GLU A 20 8.583 10.504 -5.721 1.00 2.10 O ATOM 0 H GLU A 20 7.222 7.310 -7.570 1.00 70.12 H new ATOM 0 HA GLU A 20 6.135 9.179 -5.797 1.00 13.00 H new ATOM 0 HB2 GLU A 20 6.092 8.973 -8.850 1.00 60.50 H new ATOM 0 HB3 GLU A 20 5.555 10.397 -7.983 1.00 60.50 H new ATOM 0 HG2 GLU A 20 8.376 9.243 -7.919 1.00 23.52 H new ATOM 0 HG3 GLU A 20 7.868 10.648 -8.834 1.00 23.52 H new ATOM 311 N ILE A 21 3.891 7.492 -7.550 1.00 5.43 N ATOM 312 CA ILE A 21 2.489 7.077 -7.657 1.00 0.23 C ATOM 313 C ILE A 21 1.994 6.568 -6.287 1.00 60.14 C ATOM 314 O ILE A 21 1.119 7.177 -5.677 1.00 14.41 O ATOM 315 CB ILE A 21 2.318 5.953 -8.763 1.00 62.14 C ATOM 316 CG1 ILE A 21 2.725 6.499 -10.174 1.00 65.30 C ATOM 317 CG2 ILE A 21 0.876 5.381 -8.783 1.00 64.12 C ATOM 318 CD1 ILE A 21 2.830 5.437 -11.254 1.00 55.44 C ATOM 0 H ILE A 21 4.507 6.995 -8.193 1.00 5.43 H new ATOM 0 HA ILE A 21 1.889 7.936 -7.957 1.00 0.23 H new ATOM 0 HB ILE A 21 2.988 5.132 -8.505 1.00 62.14 H new ATOM 0 HG12 ILE A 21 1.994 7.245 -10.486 1.00 65.30 H new ATOM 0 HG13 ILE A 21 3.685 7.009 -10.089 1.00 65.30 H new ATOM 0 HG21 ILE A 21 0.799 4.614 -9.554 1.00 64.12 H new ATOM 0 HG22 ILE A 21 0.645 4.944 -7.812 1.00 64.12 H new ATOM 0 HG23 ILE A 21 0.169 6.183 -8.998 1.00 64.12 H new ATOM 0 HD11 ILE A 21 3.116 5.904 -12.197 1.00 55.44 H new ATOM 0 HD12 ILE A 21 3.583 4.702 -10.970 1.00 55.44 H new ATOM 0 HD13 ILE A 21 1.866 4.942 -11.372 1.00 55.44 H new ATOM 330 N VAL A 22 2.676 5.525 -5.774 1.00 54.22 N ATOM 331 CA VAL A 22 2.273 4.789 -4.563 1.00 24.34 C ATOM 332 C VAL A 22 2.282 5.694 -3.298 1.00 15.32 C ATOM 333 O VAL A 22 1.389 5.583 -2.459 1.00 62.12 O ATOM 334 CB VAL A 22 3.181 3.505 -4.385 1.00 23.12 C ATOM 335 CG1 VAL A 22 2.987 2.823 -3.015 1.00 14.40 C ATOM 336 CG2 VAL A 22 2.913 2.492 -5.531 1.00 32.40 C ATOM 0 H VAL A 22 3.533 5.167 -6.196 1.00 54.22 H new ATOM 0 HA VAL A 22 1.241 4.462 -4.689 1.00 24.34 H new ATOM 0 HB VAL A 22 4.217 3.841 -4.430 1.00 23.12 H new ATOM 0 HG11 VAL A 22 3.634 1.949 -2.949 1.00 14.40 H new ATOM 0 HG12 VAL A 22 3.242 3.524 -2.220 1.00 14.40 H new ATOM 0 HG13 VAL A 22 1.947 2.514 -2.907 1.00 14.40 H new ATOM 0 HG21 VAL A 22 3.544 1.614 -5.396 1.00 32.40 H new ATOM 0 HG22 VAL A 22 1.865 2.192 -5.514 1.00 32.40 H new ATOM 0 HG23 VAL A 22 3.141 2.958 -6.490 1.00 32.40 H new ATOM 346 N LYS A 23 3.260 6.623 -3.207 1.00 40.12 N ATOM 347 CA LYS A 23 3.330 7.628 -2.111 1.00 45.22 C ATOM 348 C LYS A 23 2.063 8.504 -2.102 1.00 11.23 C ATOM 349 O LYS A 23 1.369 8.618 -1.077 1.00 54.12 O ATOM 350 CB LYS A 23 4.591 8.527 -2.278 1.00 61.51 C ATOM 351 CG LYS A 23 5.927 7.829 -1.943 1.00 71.43 C ATOM 352 CD LYS A 23 7.152 8.556 -2.548 1.00 42.40 C ATOM 353 CE LYS A 23 7.332 10.001 -2.063 1.00 23.30 C ATOM 354 NZ LYS A 23 8.466 10.668 -2.764 1.00 44.23 N ATOM 0 H LYS A 23 4.020 6.701 -3.883 1.00 40.12 H new ATOM 0 HA LYS A 23 3.398 7.095 -1.163 1.00 45.22 H new ATOM 0 HB2 LYS A 23 4.632 8.886 -3.306 1.00 61.51 H new ATOM 0 HB3 LYS A 23 4.484 9.403 -1.639 1.00 61.51 H new ATOM 0 HG2 LYS A 23 6.041 7.774 -0.860 1.00 71.43 H new ATOM 0 HG3 LYS A 23 5.899 6.804 -2.313 1.00 71.43 H new ATOM 0 HD2 LYS A 23 8.052 7.990 -2.307 1.00 42.40 H new ATOM 0 HD3 LYS A 23 7.058 8.559 -3.634 1.00 42.40 H new ATOM 0 HE2 LYS A 23 6.414 10.562 -2.236 1.00 23.30 H new ATOM 0 HE3 LYS A 23 7.512 10.007 -0.988 1.00 23.30 H new ATOM 0 HZ1 LYS A 23 8.460 11.685 -2.545 1.00 44.23 H new ATOM 0 HZ2 LYS A 23 9.364 10.251 -2.446 1.00 44.23 H new ATOM 0 HZ3 LYS A 23 8.366 10.534 -3.791 1.00 44.23 H new ATOM 368 N ARG A 24 1.766 9.078 -3.284 1.00 25.43 N ATOM 369 CA ARG A 24 0.608 9.966 -3.498 1.00 0.12 C ATOM 370 C ARG A 24 -0.731 9.216 -3.277 1.00 23.44 C ATOM 371 O ARG A 24 -1.711 9.791 -2.777 1.00 60.52 O ATOM 372 CB ARG A 24 0.686 10.574 -4.930 1.00 22.11 C ATOM 373 CG ARG A 24 -0.461 11.540 -5.303 1.00 1.44 C ATOM 374 CD ARG A 24 -0.275 12.184 -6.690 1.00 0.23 C ATOM 375 NE ARG A 24 0.898 13.087 -6.746 1.00 44.43 N ATOM 376 CZ ARG A 24 0.847 14.430 -6.837 1.00 35.44 C ATOM 377 NH1 ARG A 24 -0.319 15.072 -6.885 1.00 71.51 N ATOM 378 NH2 ARG A 24 1.976 15.128 -6.878 1.00 54.23 N ATOM 0 H ARG A 24 2.328 8.937 -4.123 1.00 25.43 H new ATOM 0 HA ARG A 24 0.641 10.772 -2.765 1.00 0.12 H new ATOM 0 HB2 ARG A 24 1.633 11.105 -5.030 1.00 22.11 H new ATOM 0 HB3 ARG A 24 0.701 9.758 -5.653 1.00 22.11 H new ATOM 0 HG2 ARG A 24 -1.407 10.998 -5.283 1.00 1.44 H new ATOM 0 HG3 ARG A 24 -0.528 12.325 -4.550 1.00 1.44 H new ATOM 0 HD2 ARG A 24 -0.161 11.400 -7.438 1.00 0.23 H new ATOM 0 HD3 ARG A 24 -1.173 12.744 -6.950 1.00 0.23 H new ATOM 0 HE ARG A 24 1.822 12.656 -6.713 1.00 44.43 H new ATOM 0 HH11 ARG A 24 -1.192 14.546 -6.853 1.00 71.51 H new ATOM 0 HH12 ARG A 24 -0.339 16.089 -6.954 1.00 71.51 H new ATOM 0 HH21 ARG A 24 2.875 14.647 -6.841 1.00 54.23 H new ATOM 0 HH22 ARG A 24 1.945 16.145 -6.947 1.00 54.23 H new ATOM 392 N VAL A 25 -0.731 7.915 -3.615 1.00 35.10 N ATOM 393 CA VAL A 25 -1.911 7.045 -3.530 1.00 44.21 C ATOM 394 C VAL A 25 -2.234 6.679 -2.063 1.00 40.14 C ATOM 395 O VAL A 25 -3.394 6.763 -1.649 1.00 34.55 O ATOM 396 CB VAL A 25 -1.704 5.753 -4.415 1.00 71.31 C ATOM 397 CG1 VAL A 25 -2.728 4.654 -4.097 1.00 64.21 C ATOM 398 CG2 VAL A 25 -1.760 6.112 -5.922 1.00 51.01 C ATOM 0 H VAL A 25 0.100 7.434 -3.959 1.00 35.10 H new ATOM 0 HA VAL A 25 -2.769 7.592 -3.921 1.00 44.21 H new ATOM 0 HB VAL A 25 -0.717 5.358 -4.173 1.00 71.31 H new ATOM 0 HG11 VAL A 25 -2.542 3.788 -4.733 1.00 64.21 H new ATOM 0 HG12 VAL A 25 -2.636 4.363 -3.051 1.00 64.21 H new ATOM 0 HG13 VAL A 25 -3.734 5.030 -4.282 1.00 64.21 H new ATOM 0 HG21 VAL A 25 -1.615 5.210 -6.517 1.00 51.01 H new ATOM 0 HG22 VAL A 25 -2.731 6.549 -6.156 1.00 51.01 H new ATOM 0 HG23 VAL A 25 -0.973 6.830 -6.155 1.00 51.01 H new ATOM 408 N ILE A 26 -1.202 6.298 -1.277 1.00 3.13 N ATOM 409 CA ILE A 26 -1.380 5.912 0.145 1.00 41.25 C ATOM 410 C ILE A 26 -1.731 7.152 0.999 1.00 72.11 C ATOM 411 O ILE A 26 -2.396 7.033 2.026 1.00 42.22 O ATOM 412 CB ILE A 26 -0.114 5.168 0.732 1.00 74.51 C ATOM 413 CG1 ILE A 26 0.206 3.883 -0.099 1.00 54.13 C ATOM 414 CG2 ILE A 26 -0.308 4.800 2.232 1.00 31.45 C ATOM 415 CD1 ILE A 26 1.483 3.176 0.309 1.00 40.32 C ATOM 0 H ILE A 26 -0.236 6.249 -1.602 1.00 3.13 H new ATOM 0 HA ILE A 26 -2.209 5.205 0.186 1.00 41.25 H new ATOM 0 HB ILE A 26 0.729 5.856 0.661 1.00 74.51 H new ATOM 0 HG12 ILE A 26 -0.627 3.186 -0.004 1.00 54.13 H new ATOM 0 HG13 ILE A 26 0.276 4.154 -1.152 1.00 54.13 H new ATOM 0 HG21 ILE A 26 0.583 4.290 2.600 1.00 31.45 H new ATOM 0 HG22 ILE A 26 -0.471 5.709 2.811 1.00 31.45 H new ATOM 0 HG23 ILE A 26 -1.171 4.143 2.337 1.00 31.45 H new ATOM 0 HD11 ILE A 26 1.628 2.296 -0.318 1.00 40.32 H new ATOM 0 HD12 ILE A 26 2.329 3.853 0.186 1.00 40.32 H new ATOM 0 HD13 ILE A 26 1.412 2.870 1.353 1.00 40.32 H new ATOM 427 N ASP A 27 -1.297 8.341 0.537 1.00 45.14 N ATOM 428 CA ASP A 27 -1.690 9.631 1.149 1.00 51.25 C ATOM 429 C ASP A 27 -3.215 9.870 0.990 1.00 41.23 C ATOM 430 O ASP A 27 -3.866 10.443 1.878 1.00 75.33 O ATOM 431 CB ASP A 27 -0.865 10.789 0.518 1.00 20.15 C ATOM 432 CG ASP A 27 -1.155 12.169 1.140 1.00 63.32 C ATOM 433 OD1 ASP A 27 -1.063 12.297 2.384 1.00 32.32 O ATOM 434 OD2 ASP A 27 -1.465 13.129 0.401 1.00 62.52 O ATOM 0 H ASP A 27 -0.671 8.437 -0.262 1.00 45.14 H new ATOM 0 HA ASP A 27 -1.473 9.599 2.217 1.00 51.25 H new ATOM 0 HB2 ASP A 27 0.197 10.568 0.627 1.00 20.15 H new ATOM 0 HB3 ASP A 27 -1.074 10.831 -0.551 1.00 20.15 H new ATOM 439 N GLU A 28 -3.774 9.385 -0.140 1.00 71.02 N ATOM 440 CA GLU A 28 -5.231 9.380 -0.389 1.00 2.33 C ATOM 441 C GLU A 28 -5.944 8.289 0.436 1.00 52.24 C ATOM 442 O GLU A 28 -7.047 8.519 0.937 1.00 55.55 O ATOM 443 CB GLU A 28 -5.528 9.201 -1.901 1.00 14.33 C ATOM 444 CG GLU A 28 -5.183 10.425 -2.768 1.00 1.14 C ATOM 445 CD GLU A 28 -6.014 11.672 -2.395 1.00 72.14 C ATOM 446 OE1 GLU A 28 -7.202 11.741 -2.767 1.00 3.14 O ATOM 447 OE2 GLU A 28 -5.491 12.585 -1.730 1.00 13.25 O ATOM 0 H GLU A 28 -3.228 8.987 -0.904 1.00 71.02 H new ATOM 0 HA GLU A 28 -5.622 10.346 -0.069 1.00 2.33 H new ATOM 0 HB2 GLU A 28 -4.968 8.341 -2.269 1.00 14.33 H new ATOM 0 HB3 GLU A 28 -6.586 8.970 -2.026 1.00 14.33 H new ATOM 0 HG2 GLU A 28 -4.123 10.654 -2.660 1.00 1.14 H new ATOM 0 HG3 GLU A 28 -5.352 10.181 -3.817 1.00 1.14 H new ATOM 454 N VAL A 29 -5.315 7.103 0.576 1.00 70.25 N ATOM 455 CA VAL A 29 -5.875 6.000 1.387 1.00 1.04 C ATOM 456 C VAL A 29 -5.943 6.409 2.876 1.00 61.12 C ATOM 457 O VAL A 29 -6.921 6.123 3.555 1.00 74.24 O ATOM 458 CB VAL A 29 -5.041 4.667 1.239 1.00 62.10 C ATOM 459 CG1 VAL A 29 -5.648 3.521 2.078 1.00 12.21 C ATOM 460 CG2 VAL A 29 -4.911 4.240 -0.239 1.00 43.13 C ATOM 0 H VAL A 29 -4.420 6.884 0.139 1.00 70.25 H new ATOM 0 HA VAL A 29 -6.880 5.806 1.013 1.00 1.04 H new ATOM 0 HB VAL A 29 -4.042 4.875 1.622 1.00 62.10 H new ATOM 0 HG11 VAL A 29 -5.048 2.620 1.951 1.00 12.21 H new ATOM 0 HG12 VAL A 29 -5.657 3.806 3.130 1.00 12.21 H new ATOM 0 HG13 VAL A 29 -6.668 3.327 1.745 1.00 12.21 H new ATOM 0 HG21 VAL A 29 -4.331 3.319 -0.302 1.00 43.13 H new ATOM 0 HG22 VAL A 29 -5.903 4.073 -0.658 1.00 43.13 H new ATOM 0 HG23 VAL A 29 -4.407 5.026 -0.802 1.00 43.13 H new ATOM 470 N GLU A 30 -4.900 7.125 3.335 1.00 75.32 N ATOM 471 CA GLU A 30 -4.753 7.577 4.737 1.00 45.15 C ATOM 472 C GLU A 30 -5.938 8.447 5.179 1.00 20.13 C ATOM 473 O GLU A 30 -6.623 8.120 6.146 1.00 3.33 O ATOM 474 CB GLU A 30 -3.392 8.334 4.922 1.00 75.11 C ATOM 475 CG GLU A 30 -2.241 7.461 5.467 1.00 31.42 C ATOM 476 CD GLU A 30 -2.299 7.246 6.999 1.00 12.14 C ATOM 477 OE1 GLU A 30 -3.221 6.577 7.495 1.00 73.02 O ATOM 478 OE2 GLU A 30 -1.417 7.764 7.722 1.00 72.43 O ATOM 0 H GLU A 30 -4.124 7.411 2.738 1.00 75.32 H new ATOM 0 HA GLU A 30 -4.749 6.695 5.378 1.00 45.15 H new ATOM 0 HB2 GLU A 30 -3.090 8.752 3.962 1.00 75.11 H new ATOM 0 HB3 GLU A 30 -3.547 9.173 5.600 1.00 75.11 H new ATOM 0 HG2 GLU A 30 -2.266 6.491 4.971 1.00 31.42 H new ATOM 0 HG3 GLU A 30 -1.290 7.926 5.209 1.00 31.42 H new ATOM 485 N ARG A 31 -6.203 9.519 4.419 1.00 75.25 N ATOM 486 CA ARG A 31 -7.275 10.481 4.746 1.00 54.12 C ATOM 487 C ARG A 31 -8.672 9.819 4.690 1.00 22.35 C ATOM 488 O ARG A 31 -9.588 10.229 5.403 1.00 73.24 O ATOM 489 CB ARG A 31 -7.194 11.711 3.796 1.00 54.42 C ATOM 490 CG ARG A 31 -7.235 11.366 2.294 1.00 31.03 C ATOM 491 CD ARG A 31 -7.018 12.581 1.376 1.00 51.52 C ATOM 492 NE ARG A 31 -8.140 13.534 1.413 1.00 62.24 N ATOM 493 CZ ARG A 31 -8.492 14.345 0.401 1.00 51.45 C ATOM 494 NH1 ARG A 31 -7.818 14.338 -0.754 1.00 53.51 N ATOM 495 NH2 ARG A 31 -9.537 15.145 0.543 1.00 51.20 N ATOM 0 H ARG A 31 -5.689 9.746 3.568 1.00 75.25 H new ATOM 0 HA ARG A 31 -7.127 10.822 5.771 1.00 54.12 H new ATOM 0 HB2 ARG A 31 -8.021 12.384 4.023 1.00 54.42 H new ATOM 0 HB3 ARG A 31 -6.273 12.255 4.005 1.00 54.42 H new ATOM 0 HG2 ARG A 31 -6.470 10.619 2.081 1.00 31.03 H new ATOM 0 HG3 ARG A 31 -8.198 10.912 2.060 1.00 31.03 H new ATOM 0 HD2 ARG A 31 -6.102 13.094 1.671 1.00 51.52 H new ATOM 0 HD3 ARG A 31 -6.875 12.236 0.352 1.00 51.52 H new ATOM 0 HE ARG A 31 -8.691 13.582 2.270 1.00 62.24 H new ATOM 0 HH11 ARG A 31 -7.023 13.710 -0.877 1.00 53.51 H new ATOM 0 HH12 ARG A 31 -8.099 14.960 -1.512 1.00 53.51 H new ATOM 0 HH21 ARG A 31 -10.067 15.142 1.415 1.00 51.20 H new ATOM 0 HH22 ARG A 31 -9.812 15.764 -0.219 1.00 51.20 H new ATOM 509 N GLU A 32 -8.807 8.754 3.869 1.00 44.23 N ATOM 510 CA GLU A 32 -10.082 8.025 3.678 1.00 62.10 C ATOM 511 C GLU A 32 -10.277 6.891 4.711 1.00 33.22 C ATOM 512 O GLU A 32 -11.417 6.551 5.048 1.00 3.45 O ATOM 513 CB GLU A 32 -10.157 7.484 2.232 1.00 50.24 C ATOM 514 CG GLU A 32 -10.261 8.591 1.160 1.00 20.24 C ATOM 515 CD GLU A 32 -10.291 8.044 -0.274 1.00 13.10 C ATOM 516 OE1 GLU A 32 -11.268 7.350 -0.625 1.00 52.32 O ATOM 517 OE2 GLU A 32 -9.355 8.319 -1.060 1.00 42.21 O ATOM 0 H GLU A 32 -8.035 8.375 3.320 1.00 44.23 H new ATOM 0 HA GLU A 32 -10.898 8.728 3.843 1.00 62.10 H new ATOM 0 HB2 GLU A 32 -9.272 6.880 2.033 1.00 50.24 H new ATOM 0 HB3 GLU A 32 -11.020 6.824 2.145 1.00 50.24 H new ATOM 0 HG2 GLU A 32 -11.163 9.176 1.338 1.00 20.24 H new ATOM 0 HG3 GLU A 32 -9.415 9.270 1.265 1.00 20.24 H new ATOM 524 N VAL A 33 -9.179 6.312 5.219 1.00 54.14 N ATOM 525 CA VAL A 33 -9.245 5.228 6.221 1.00 23.53 C ATOM 526 C VAL A 33 -9.408 5.821 7.627 1.00 62.50 C ATOM 527 O VAL A 33 -10.200 5.324 8.410 1.00 61.00 O ATOM 528 CB VAL A 33 -7.979 4.280 6.148 1.00 54.23 C ATOM 529 CG1 VAL A 33 -7.830 3.370 7.396 1.00 13.50 C ATOM 530 CG2 VAL A 33 -8.022 3.415 4.863 1.00 34.43 C ATOM 0 H VAL A 33 -8.230 6.575 4.954 1.00 54.14 H new ATOM 0 HA VAL A 33 -10.116 4.613 5.994 1.00 23.53 H new ATOM 0 HB VAL A 33 -7.106 4.932 6.123 1.00 54.23 H new ATOM 0 HG11 VAL A 33 -6.944 2.744 7.286 1.00 13.50 H new ATOM 0 HG12 VAL A 33 -7.729 3.989 8.288 1.00 13.50 H new ATOM 0 HG13 VAL A 33 -8.712 2.737 7.492 1.00 13.50 H new ATOM 0 HG21 VAL A 33 -7.144 2.770 4.829 1.00 34.43 H new ATOM 0 HG22 VAL A 33 -8.923 2.802 4.867 1.00 34.43 H new ATOM 0 HG23 VAL A 33 -8.029 4.064 3.987 1.00 34.43 H new ATOM 540 N GLN A 34 -8.694 6.920 7.909 1.00 43.45 N ATOM 541 CA GLN A 34 -8.628 7.504 9.266 1.00 61.35 C ATOM 542 C GLN A 34 -9.944 8.202 9.697 1.00 25.30 C ATOM 543 O GLN A 34 -10.115 8.507 10.880 1.00 63.03 O ATOM 544 CB GLN A 34 -7.412 8.468 9.373 1.00 41.41 C ATOM 545 CG GLN A 34 -6.043 7.775 9.167 1.00 13.31 C ATOM 546 CD GLN A 34 -5.764 6.635 10.157 1.00 33.45 C ATOM 547 OE1 GLN A 34 -6.194 6.670 11.309 1.00 3.01 O ATOM 548 NE2 GLN A 34 -5.044 5.618 9.719 1.00 21.43 N ATOM 0 H GLN A 34 -8.149 7.429 7.213 1.00 43.45 H new ATOM 0 HA GLN A 34 -8.492 6.678 9.964 1.00 61.35 H new ATOM 0 HB2 GLN A 34 -7.522 9.260 8.632 1.00 41.41 H new ATOM 0 HB3 GLN A 34 -7.423 8.944 10.353 1.00 41.41 H new ATOM 0 HG2 GLN A 34 -5.996 7.380 8.152 1.00 13.31 H new ATOM 0 HG3 GLN A 34 -5.253 8.521 9.256 1.00 13.31 H new ATOM 0 HE21 GLN A 34 -4.699 5.613 8.759 1.00 21.43 H new ATOM 0 HE22 GLN A 34 -4.833 4.837 10.341 1.00 21.43 H new ATOM 557 N LYS A 35 -10.864 8.449 8.743 1.00 41.34 N ATOM 558 CA LYS A 35 -12.212 8.971 9.067 1.00 54.55 C ATOM 559 C LYS A 35 -13.137 7.829 9.566 1.00 4.45 C ATOM 560 O LYS A 35 -13.975 8.045 10.447 1.00 0.02 O ATOM 561 CB LYS A 35 -12.839 9.706 7.839 1.00 42.02 C ATOM 562 CG LYS A 35 -13.063 8.823 6.594 1.00 42.30 C ATOM 563 CD LYS A 35 -13.687 9.573 5.388 1.00 23.33 C ATOM 564 CE LYS A 35 -12.772 10.662 4.798 1.00 61.12 C ATOM 565 NZ LYS A 35 -13.340 11.258 3.551 1.00 22.21 N ATOM 0 H LYS A 35 -10.702 8.297 7.747 1.00 41.34 H new ATOM 0 HA LYS A 35 -12.109 9.699 9.872 1.00 54.55 H new ATOM 0 HB2 LYS A 35 -13.796 10.133 8.140 1.00 42.02 H new ATOM 0 HB3 LYS A 35 -12.191 10.538 7.564 1.00 42.02 H new ATOM 0 HG2 LYS A 35 -12.108 8.397 6.288 1.00 42.30 H new ATOM 0 HG3 LYS A 35 -13.712 7.990 6.865 1.00 42.30 H new ATOM 0 HD2 LYS A 35 -13.928 8.851 4.608 1.00 23.33 H new ATOM 0 HD3 LYS A 35 -14.626 10.030 5.701 1.00 23.33 H new ATOM 0 HE2 LYS A 35 -12.620 11.448 5.538 1.00 61.12 H new ATOM 0 HE3 LYS A 35 -11.793 10.234 4.582 1.00 61.12 H new ATOM 0 HZ1 LYS A 35 -12.692 11.986 3.188 1.00 22.21 H new ATOM 0 HZ2 LYS A 35 -13.461 10.514 2.835 1.00 22.21 H new ATOM 0 HZ3 LYS A 35 -14.263 11.689 3.761 1.00 22.21 H new ATOM 579 N GLN A 36 -12.946 6.611 9.019 1.00 41.45 N ATOM 580 CA GLN A 36 -13.783 5.426 9.335 1.00 54.23 C ATOM 581 C GLN A 36 -13.207 4.662 10.543 1.00 10.32 C ATOM 582 O GLN A 36 -13.940 4.231 11.442 1.00 33.23 O ATOM 583 CB GLN A 36 -13.870 4.484 8.100 1.00 44.12 C ATOM 584 CG GLN A 36 -14.395 5.152 6.812 1.00 43.13 C ATOM 585 CD GLN A 36 -15.772 5.809 6.977 1.00 44.12 C ATOM 586 OE1 GLN A 36 -15.878 6.998 7.283 1.00 14.12 O ATOM 587 NE2 GLN A 36 -16.829 5.030 6.806 1.00 54.42 N ATOM 0 H GLN A 36 -12.207 6.417 8.344 1.00 41.45 H new ATOM 0 HA GLN A 36 -14.786 5.771 9.588 1.00 54.23 H new ATOM 0 HB2 GLN A 36 -12.879 4.075 7.902 1.00 44.12 H new ATOM 0 HB3 GLN A 36 -14.519 3.643 8.347 1.00 44.12 H new ATOM 0 HG2 GLN A 36 -13.679 5.906 6.486 1.00 43.13 H new ATOM 0 HG3 GLN A 36 -14.451 4.403 6.022 1.00 43.13 H new ATOM 0 HE21 GLN A 36 -16.705 4.050 6.553 1.00 54.42 H new ATOM 0 HE22 GLN A 36 -17.768 5.410 6.927 1.00 54.42 H new ATOM 596 N TYR A 37 -11.879 4.486 10.517 1.00 41.05 N ATOM 597 CA TYR A 37 -11.098 3.800 11.553 1.00 43.14 C ATOM 598 C TYR A 37 -10.347 4.858 12.390 1.00 15.15 C ATOM 599 O TYR A 37 -9.317 5.379 11.937 1.00 32.14 O ATOM 600 CB TYR A 37 -10.074 2.816 10.911 1.00 23.01 C ATOM 601 CG TYR A 37 -10.675 1.712 10.021 1.00 12.34 C ATOM 602 CD1 TYR A 37 -11.009 1.966 8.686 1.00 3.31 C ATOM 603 CD2 TYR A 37 -10.892 0.415 10.507 1.00 31.44 C ATOM 604 CE1 TYR A 37 -11.537 0.981 7.878 1.00 73.22 C ATOM 605 CE2 TYR A 37 -11.421 -0.573 9.693 1.00 24.22 C ATOM 606 CZ TYR A 37 -11.740 -0.282 8.383 1.00 64.03 C ATOM 607 OH TYR A 37 -12.269 -1.261 7.574 1.00 40.21 O ATOM 0 H TYR A 37 -11.301 4.828 9.749 1.00 41.05 H new ATOM 0 HA TYR A 37 -11.772 3.225 12.188 1.00 43.14 H new ATOM 0 HB2 TYR A 37 -9.368 3.394 10.314 1.00 23.01 H new ATOM 0 HB3 TYR A 37 -9.503 2.342 11.710 1.00 23.01 H new ATOM 0 HD1 TYR A 37 -10.850 2.954 8.280 1.00 3.31 H new ATOM 0 HD2 TYR A 37 -10.643 0.183 11.532 1.00 31.44 H new ATOM 0 HE1 TYR A 37 -11.790 1.201 6.851 1.00 73.22 H new ATOM 0 HE2 TYR A 37 -11.583 -1.567 10.082 1.00 24.22 H new ATOM 0 HH TYR A 37 -12.349 -2.096 8.080 1.00 40.21 H new ATOM 617 N PRO A 38 -10.870 5.245 13.596 1.00 54.32 N ATOM 618 CA PRO A 38 -10.166 6.181 14.504 1.00 63.22 C ATOM 619 C PRO A 38 -8.914 5.547 15.147 1.00 72.11 C ATOM 620 O PRO A 38 -7.911 6.227 15.380 1.00 24.22 O ATOM 621 CB PRO A 38 -11.240 6.536 15.574 1.00 1.02 C ATOM 622 CG PRO A 38 -12.544 6.038 15.015 1.00 70.40 C ATOM 623 CD PRO A 38 -12.187 4.853 14.159 1.00 61.13 C ATOM 0 HA PRO A 38 -9.786 7.056 13.976 1.00 63.22 H new ATOM 0 HB2 PRO A 38 -11.015 6.060 16.529 1.00 1.02 H new ATOM 0 HB3 PRO A 38 -11.275 7.611 15.754 1.00 1.02 H new ATOM 0 HG2 PRO A 38 -13.230 5.754 15.813 1.00 70.40 H new ATOM 0 HG3 PRO A 38 -13.040 6.811 14.428 1.00 70.40 H new ATOM 0 HD2 PRO A 38 -12.121 3.936 14.744 1.00 61.13 H new ATOM 0 HD3 PRO A 38 -12.927 4.680 13.377 1.00 61.13 H new ATOM 631 N ASN A 39 -8.995 4.236 15.424 1.00 72.24 N ATOM 632 CA ASN A 39 -7.955 3.487 16.153 1.00 15.30 C ATOM 633 C ASN A 39 -7.118 2.629 15.183 1.00 41.42 C ATOM 634 O ASN A 39 -6.905 1.426 15.411 1.00 44.15 O ATOM 635 CB ASN A 39 -8.614 2.614 17.269 1.00 35.02 C ATOM 636 CG ASN A 39 -9.349 3.426 18.349 1.00 41.21 C ATOM 637 OD1 ASN A 39 -9.990 4.438 18.070 1.00 15.22 O ATOM 638 ND2 ASN A 39 -9.247 2.998 19.598 1.00 43.43 N ATOM 0 H ASN A 39 -9.790 3.660 15.147 1.00 72.24 H new ATOM 0 HA ASN A 39 -7.275 4.193 16.629 1.00 15.30 H new ATOM 0 HB2 ASN A 39 -9.319 1.923 16.806 1.00 35.02 H new ATOM 0 HB3 ASN A 39 -7.842 2.010 17.746 1.00 35.02 H new ATOM 0 HD21 ASN A 39 -9.705 3.510 20.352 1.00 43.43 H new ATOM 0 HD22 ASN A 39 -8.710 2.156 19.806 1.00 43.43 H new ATOM 645 N ALA A 40 -6.646 3.253 14.087 1.00 24.30 N ATOM 646 CA ALA A 40 -5.773 2.591 13.096 1.00 65.24 C ATOM 647 C ALA A 40 -4.598 3.503 12.709 1.00 72.03 C ATOM 648 O ALA A 40 -4.756 4.716 12.624 1.00 64.23 O ATOM 649 CB ALA A 40 -6.583 2.200 11.854 1.00 71.21 C ATOM 0 H ALA A 40 -6.857 4.225 13.863 1.00 24.30 H new ATOM 0 HA ALA A 40 -5.365 1.686 13.546 1.00 65.24 H new ATOM 0 HB1 ALA A 40 -5.928 1.713 11.131 1.00 71.21 H new ATOM 0 HB2 ALA A 40 -7.381 1.515 12.141 1.00 71.21 H new ATOM 0 HB3 ALA A 40 -7.017 3.094 11.406 1.00 71.21 H new ATOM 655 N THR A 41 -3.422 2.902 12.477 1.00 55.23 N ATOM 656 CA THR A 41 -2.216 3.612 12.020 1.00 73.24 C ATOM 657 C THR A 41 -1.658 2.909 10.774 1.00 62.13 C ATOM 658 O THR A 41 -1.283 1.738 10.844 1.00 22.02 O ATOM 659 CB THR A 41 -1.118 3.652 13.145 1.00 52.24 C ATOM 660 OG1 THR A 41 -1.665 4.226 14.349 1.00 63.21 O ATOM 661 CG2 THR A 41 0.137 4.453 12.725 1.00 51.45 C ATOM 0 H THR A 41 -3.279 1.900 12.602 1.00 55.23 H new ATOM 0 HA THR A 41 -2.488 4.640 11.779 1.00 73.24 H new ATOM 0 HB THR A 41 -0.810 2.621 13.321 1.00 52.24 H new ATOM 0 HG1 THR A 41 -0.942 4.393 14.989 1.00 63.21 H new ATOM 0 HG21 THR A 41 0.862 4.448 13.539 1.00 51.45 H new ATOM 0 HG22 THR A 41 0.581 3.996 11.841 1.00 51.45 H new ATOM 0 HG23 THR A 41 -0.146 5.481 12.498 1.00 51.45 H new ATOM 669 N ILE A 42 -1.633 3.614 9.628 1.00 34.53 N ATOM 670 CA ILE A 42 -1.034 3.082 8.393 1.00 2.34 C ATOM 671 C ILE A 42 0.421 3.565 8.295 1.00 22.24 C ATOM 672 O ILE A 42 0.684 4.731 7.983 1.00 62.24 O ATOM 673 CB ILE A 42 -1.818 3.528 7.100 1.00 42.52 C ATOM 674 CG1 ILE A 42 -3.328 3.149 7.200 1.00 64.30 C ATOM 675 CG2 ILE A 42 -1.172 2.926 5.819 1.00 72.24 C ATOM 676 CD1 ILE A 42 -4.179 3.636 6.038 1.00 15.43 C ATOM 0 H ILE A 42 -2.021 4.553 9.533 1.00 34.53 H new ATOM 0 HA ILE A 42 -1.083 1.994 8.444 1.00 2.34 H new ATOM 0 HB ILE A 42 -1.752 4.614 7.028 1.00 42.52 H new ATOM 0 HG12 ILE A 42 -3.414 2.064 7.267 1.00 64.30 H new ATOM 0 HG13 ILE A 42 -3.732 3.558 8.126 1.00 64.30 H new ATOM 0 HG21 ILE A 42 -1.733 3.250 4.942 1.00 72.24 H new ATOM 0 HG22 ILE A 42 -0.140 3.268 5.737 1.00 72.24 H new ATOM 0 HG23 ILE A 42 -1.190 1.838 5.880 1.00 72.24 H new ATOM 0 HD11 ILE A 42 -5.213 3.328 6.190 1.00 15.43 H new ATOM 0 HD12 ILE A 42 -4.129 4.723 5.981 1.00 15.43 H new ATOM 0 HD13 ILE A 42 -3.806 3.206 5.108 1.00 15.43 H new ATOM 688 N THR A 43 1.352 2.672 8.608 1.00 3.44 N ATOM 689 CA THR A 43 2.780 2.885 8.380 1.00 71.11 C ATOM 690 C THR A 43 3.135 2.278 7.010 1.00 12.33 C ATOM 691 O THR A 43 2.625 1.212 6.648 1.00 20.54 O ATOM 692 CB THR A 43 3.623 2.228 9.526 1.00 15.01 C ATOM 693 OG1 THR A 43 3.161 2.729 10.797 1.00 54.54 O ATOM 694 CG2 THR A 43 5.132 2.505 9.389 1.00 62.14 C ATOM 0 H THR A 43 1.137 1.770 9.032 1.00 3.44 H new ATOM 0 HA THR A 43 3.011 3.950 8.383 1.00 71.11 H new ATOM 0 HB THR A 43 3.485 1.149 9.456 1.00 15.01 H new ATOM 0 HG1 THR A 43 3.683 2.321 11.519 1.00 54.54 H new ATOM 0 HG21 THR A 43 5.666 2.026 10.210 1.00 62.14 H new ATOM 0 HG22 THR A 43 5.491 2.105 8.440 1.00 62.14 H new ATOM 0 HG23 THR A 43 5.309 3.580 9.420 1.00 62.14 H new ATOM 702 N ARG A 44 3.949 2.991 6.228 1.00 44.01 N ATOM 703 CA ARG A 44 4.405 2.528 4.909 1.00 24.33 C ATOM 704 C ARG A 44 5.841 2.996 4.682 1.00 74.21 C ATOM 705 O ARG A 44 6.156 4.178 4.884 1.00 41.14 O ATOM 706 CB ARG A 44 3.468 2.991 3.746 1.00 42.13 C ATOM 707 CG ARG A 44 3.279 4.514 3.539 1.00 60.42 C ATOM 708 CD ARG A 44 2.461 5.195 4.653 1.00 1.23 C ATOM 709 NE ARG A 44 2.163 6.598 4.344 1.00 3.00 N ATOM 710 CZ ARG A 44 1.500 7.440 5.148 1.00 34.21 C ATOM 711 NH1 ARG A 44 1.063 7.046 6.336 1.00 4.14 N ATOM 712 NH2 ARG A 44 1.253 8.674 4.747 1.00 40.40 N ATOM 0 H ARG A 44 4.313 3.907 6.489 1.00 44.01 H new ATOM 0 HA ARG A 44 4.368 1.439 4.904 1.00 24.33 H new ATOM 0 HB2 ARG A 44 3.854 2.571 2.817 1.00 42.13 H new ATOM 0 HB3 ARG A 44 2.485 2.550 3.911 1.00 42.13 H new ATOM 0 HG2 ARG A 44 4.259 4.988 3.479 1.00 60.42 H new ATOM 0 HG3 ARG A 44 2.784 4.683 2.583 1.00 60.42 H new ATOM 0 HD2 ARG A 44 1.528 4.651 4.800 1.00 1.23 H new ATOM 0 HD3 ARG A 44 3.013 5.141 5.591 1.00 1.23 H new ATOM 0 HE ARG A 44 2.486 6.961 3.447 1.00 3.00 H new ATOM 0 HH11 ARG A 44 1.230 6.090 6.649 1.00 4.14 H new ATOM 0 HH12 ARG A 44 0.560 7.699 6.937 1.00 4.14 H new ATOM 0 HH21 ARG A 44 1.567 8.984 3.827 1.00 40.40 H new ATOM 0 HH22 ARG A 44 0.748 9.317 5.357 1.00 40.40 H new ATOM 726 N THR A 45 6.712 2.060 4.290 1.00 62.52 N ATOM 727 CA THR A 45 8.119 2.341 3.999 1.00 51.12 C ATOM 728 C THR A 45 8.439 1.867 2.577 1.00 12.44 C ATOM 729 O THR A 45 8.404 0.666 2.314 1.00 71.53 O ATOM 730 CB THR A 45 9.063 1.638 5.034 1.00 42.22 C ATOM 731 OG1 THR A 45 8.649 1.966 6.368 1.00 1.00 O ATOM 732 CG2 THR A 45 10.531 2.059 4.848 1.00 13.05 C ATOM 0 H THR A 45 6.457 1.080 4.165 1.00 62.52 H new ATOM 0 HA THR A 45 8.289 3.415 4.077 1.00 51.12 H new ATOM 0 HB THR A 45 8.991 0.563 4.866 1.00 42.22 H new ATOM 0 HG1 THR A 45 9.240 1.523 7.012 1.00 1.00 H new ATOM 0 HG21 THR A 45 11.152 1.549 5.585 1.00 13.05 H new ATOM 0 HG22 THR A 45 10.863 1.789 3.845 1.00 13.05 H new ATOM 0 HG23 THR A 45 10.620 3.137 4.982 1.00 13.05 H new ATOM 740 N LEU A 46 8.696 2.820 1.657 1.00 42.23 N ATOM 741 CA LEU A 46 9.113 2.516 0.280 1.00 40.32 C ATOM 742 C LEU A 46 10.648 2.547 0.223 1.00 64.24 C ATOM 743 O LEU A 46 11.259 3.614 0.345 1.00 21.41 O ATOM 744 CB LEU A 46 8.501 3.516 -0.752 1.00 71.35 C ATOM 745 CG LEU A 46 6.929 3.561 -0.853 1.00 60.42 C ATOM 746 CD1 LEU A 46 6.280 4.347 0.314 1.00 1.32 C ATOM 747 CD2 LEU A 46 6.473 4.113 -2.223 1.00 13.01 C ATOM 0 H LEU A 46 8.619 3.818 1.851 1.00 42.23 H new ATOM 0 HA LEU A 46 8.744 1.527 0.008 1.00 40.32 H new ATOM 0 HB2 LEU A 46 8.854 4.517 -0.505 1.00 71.35 H new ATOM 0 HB3 LEU A 46 8.898 3.272 -1.738 1.00 71.35 H new ATOM 0 HG LEU A 46 6.580 2.532 -0.768 1.00 60.42 H new ATOM 0 HD11 LEU A 46 5.197 4.347 0.195 1.00 1.32 H new ATOM 0 HD12 LEU A 46 6.541 3.874 1.261 1.00 1.32 H new ATOM 0 HD13 LEU A 46 6.645 5.374 0.308 1.00 1.32 H new ATOM 0 HD21 LEU A 46 5.384 4.132 -2.263 1.00 13.01 H new ATOM 0 HD22 LEU A 46 6.859 5.124 -2.355 1.00 13.01 H new ATOM 0 HD23 LEU A 46 6.854 3.473 -3.018 1.00 13.01 H new ATOM 759 N THR A 47 11.255 1.364 0.064 1.00 52.32 N ATOM 760 CA THR A 47 12.709 1.184 0.001 1.00 74.03 C ATOM 761 C THR A 47 13.112 0.931 -1.458 1.00 14.32 C ATOM 762 O THR A 47 12.598 0.016 -2.095 1.00 20.14 O ATOM 763 CB THR A 47 13.158 -0.022 0.897 1.00 21.33 C ATOM 764 OG1 THR A 47 12.617 0.130 2.223 1.00 71.03 O ATOM 765 CG2 THR A 47 14.691 -0.152 0.984 1.00 21.42 C ATOM 0 H THR A 47 10.738 0.489 -0.026 1.00 52.32 H new ATOM 0 HA THR A 47 13.200 2.083 0.374 1.00 74.03 H new ATOM 0 HB THR A 47 12.776 -0.930 0.431 1.00 21.33 H new ATOM 0 HG1 THR A 47 12.898 -0.626 2.780 1.00 71.03 H new ATOM 0 HG21 THR A 47 14.949 -1.002 1.616 1.00 21.42 H new ATOM 0 HG22 THR A 47 15.100 -0.305 -0.015 1.00 21.42 H new ATOM 0 HG23 THR A 47 15.110 0.759 1.412 1.00 21.42 H new ATOM 773 N ARG A 48 14.021 1.748 -1.981 1.00 22.32 N ATOM 774 CA ARG A 48 14.534 1.584 -3.342 1.00 14.24 C ATOM 775 C ARG A 48 15.682 0.568 -3.301 1.00 54.22 C ATOM 776 O ARG A 48 16.795 0.881 -2.859 1.00 20.24 O ATOM 777 CB ARG A 48 14.977 2.957 -3.910 1.00 23.25 C ATOM 778 CG ARG A 48 13.816 3.951 -4.124 1.00 64.41 C ATOM 779 CD ARG A 48 12.874 3.541 -5.274 1.00 4.33 C ATOM 780 NE ARG A 48 13.554 3.607 -6.582 1.00 64.55 N ATOM 781 CZ ARG A 48 13.696 4.714 -7.328 1.00 53.44 C ATOM 782 NH1 ARG A 48 13.196 5.886 -6.931 1.00 42.41 N ATOM 783 NH2 ARG A 48 14.354 4.642 -8.475 1.00 63.30 N ATOM 0 H ARG A 48 14.423 2.539 -1.478 1.00 22.32 H new ATOM 0 HA ARG A 48 13.760 1.205 -4.010 1.00 14.24 H new ATOM 0 HB2 ARG A 48 15.703 3.403 -3.230 1.00 23.25 H new ATOM 0 HB3 ARG A 48 15.486 2.798 -4.861 1.00 23.25 H new ATOM 0 HG2 ARG A 48 13.240 4.032 -3.202 1.00 64.41 H new ATOM 0 HG3 ARG A 48 14.225 4.939 -4.332 1.00 64.41 H new ATOM 0 HD2 ARG A 48 12.510 2.528 -5.103 1.00 4.33 H new ATOM 0 HD3 ARG A 48 12.003 4.196 -5.283 1.00 4.33 H new ATOM 0 HE ARG A 48 13.948 2.741 -6.949 1.00 64.55 H new ATOM 0 HH11 ARG A 48 12.695 5.953 -6.045 1.00 42.41 H new ATOM 0 HH12 ARG A 48 13.315 6.715 -7.513 1.00 42.41 H new ATOM 0 HH21 ARG A 48 14.746 3.752 -8.783 1.00 63.30 H new ATOM 0 HH22 ARG A 48 14.468 5.476 -9.051 1.00 63.30 H new ATOM 797 N ASP A 49 15.378 -0.662 -3.734 1.00 1.53 N ATOM 798 CA ASP A 49 16.293 -1.812 -3.645 1.00 54.32 C ATOM 799 C ASP A 49 16.628 -2.338 -5.059 1.00 73.10 C ATOM 800 O ASP A 49 16.060 -3.339 -5.517 1.00 43.01 O ATOM 801 CB ASP A 49 15.671 -2.917 -2.733 1.00 43.50 C ATOM 802 CG ASP A 49 16.670 -4.033 -2.380 1.00 74.23 C ATOM 803 OD1 ASP A 49 17.560 -3.793 -1.535 1.00 73.24 O ATOM 804 OD2 ASP A 49 16.577 -5.147 -2.933 1.00 51.22 O ATOM 0 H ASP A 49 14.481 -0.891 -4.161 1.00 1.53 H new ATOM 0 HA ASP A 49 17.232 -1.500 -3.187 1.00 54.32 H new ATOM 0 HB2 ASP A 49 15.305 -2.459 -1.814 1.00 43.50 H new ATOM 0 HB3 ASP A 49 14.809 -3.354 -3.237 1.00 43.50 H new ATOM 809 N ASP A 50 17.499 -1.564 -5.750 1.00 71.05 N ATOM 810 CA ASP A 50 18.083 -1.897 -7.080 1.00 20.22 C ATOM 811 C ASP A 50 17.016 -2.307 -8.116 1.00 72.14 C ATOM 812 O ASP A 50 16.819 -3.500 -8.379 1.00 61.04 O ATOM 813 CB ASP A 50 19.190 -2.983 -6.967 1.00 1.54 C ATOM 814 CG ASP A 50 20.360 -2.566 -6.061 1.00 72.33 C ATOM 815 OD1 ASP A 50 21.177 -1.714 -6.471 1.00 52.24 O ATOM 816 OD2 ASP A 50 20.458 -3.071 -4.922 1.00 72.34 O ATOM 0 H ASP A 50 17.826 -0.667 -5.392 1.00 71.05 H new ATOM 0 HA ASP A 50 18.544 -0.979 -7.444 1.00 20.22 H new ATOM 0 HB2 ASP A 50 18.750 -3.902 -6.580 1.00 1.54 H new ATOM 0 HB3 ASP A 50 19.572 -3.207 -7.963 1.00 1.54 H new ATOM 821 N GLY A 51 16.289 -1.309 -8.638 1.00 52.42 N ATOM 822 CA GLY A 51 15.304 -1.534 -9.696 1.00 40.31 C ATOM 823 C GLY A 51 13.919 -1.916 -9.191 1.00 14.12 C ATOM 824 O GLY A 51 12.959 -1.820 -9.948 1.00 50.45 O ATOM 0 H GLY A 51 16.368 -0.336 -8.341 1.00 52.42 H new ATOM 0 HA2 GLY A 51 15.222 -0.629 -10.298 1.00 40.31 H new ATOM 0 HA3 GLY A 51 15.668 -2.323 -10.354 1.00 40.31 H new ATOM 828 N THR A 52 13.805 -2.345 -7.918 1.00 72.14 N ATOM 829 CA THR A 52 12.521 -2.762 -7.311 1.00 73.04 C ATOM 830 C THR A 52 12.189 -1.875 -6.091 1.00 41.35 C ATOM 831 O THR A 52 13.088 -1.506 -5.333 1.00 31.12 O ATOM 832 CB THR A 52 12.598 -4.267 -6.867 1.00 24.20 C ATOM 833 OG1 THR A 52 13.108 -5.062 -7.952 1.00 52.42 O ATOM 834 CG2 THR A 52 11.228 -4.834 -6.433 1.00 21.25 C ATOM 0 H THR A 52 14.599 -2.413 -7.281 1.00 72.14 H new ATOM 0 HA THR A 52 11.733 -2.647 -8.055 1.00 73.04 H new ATOM 0 HB THR A 52 13.262 -4.311 -6.004 1.00 24.20 H new ATOM 0 HG1 THR A 52 13.158 -6.001 -7.675 1.00 52.42 H new ATOM 0 HG21 THR A 52 11.343 -5.877 -6.137 1.00 21.25 H new ATOM 0 HG22 THR A 52 10.846 -4.258 -5.590 1.00 21.25 H new ATOM 0 HG23 THR A 52 10.527 -4.768 -7.265 1.00 21.25 H new ATOM 842 N VAL A 53 10.894 -1.521 -5.923 1.00 73.12 N ATOM 843 CA VAL A 53 10.392 -0.832 -4.714 1.00 52.25 C ATOM 844 C VAL A 53 9.906 -1.888 -3.706 1.00 33.34 C ATOM 845 O VAL A 53 9.141 -2.779 -4.060 1.00 23.04 O ATOM 846 CB VAL A 53 9.207 0.174 -5.030 1.00 11.00 C ATOM 847 CG1 VAL A 53 8.695 0.888 -3.748 1.00 54.21 C ATOM 848 CG2 VAL A 53 9.636 1.208 -6.089 1.00 44.01 C ATOM 0 H VAL A 53 10.171 -1.704 -6.619 1.00 73.12 H new ATOM 0 HA VAL A 53 11.213 -0.244 -4.304 1.00 52.25 H new ATOM 0 HB VAL A 53 8.381 -0.415 -5.430 1.00 11.00 H new ATOM 0 HG11 VAL A 53 7.884 1.568 -4.009 1.00 54.21 H new ATOM 0 HG12 VAL A 53 8.331 0.145 -3.038 1.00 54.21 H new ATOM 0 HG13 VAL A 53 9.510 1.453 -3.296 1.00 54.21 H new ATOM 0 HG21 VAL A 53 8.808 1.888 -6.290 1.00 44.01 H new ATOM 0 HG22 VAL A 53 10.490 1.776 -5.718 1.00 44.01 H new ATOM 0 HG23 VAL A 53 9.914 0.693 -7.008 1.00 44.01 H new ATOM 858 N GLU A 54 10.377 -1.784 -2.464 1.00 40.32 N ATOM 859 CA GLU A 54 9.927 -2.612 -1.344 1.00 71.10 C ATOM 860 C GLU A 54 8.977 -1.766 -0.488 1.00 51.34 C ATOM 861 O GLU A 54 9.423 -0.920 0.290 1.00 61.13 O ATOM 862 CB GLU A 54 11.152 -3.061 -0.512 1.00 2.42 C ATOM 863 CG GLU A 54 10.817 -3.942 0.713 1.00 60.34 C ATOM 864 CD GLU A 54 12.009 -4.108 1.663 1.00 73.20 C ATOM 865 OE1 GLU A 54 12.177 -3.256 2.564 1.00 52.14 O ATOM 866 OE2 GLU A 54 12.787 -5.075 1.511 1.00 55.22 O ATOM 0 H GLU A 54 11.096 -1.109 -2.202 1.00 40.32 H new ATOM 0 HA GLU A 54 9.410 -3.503 -1.700 1.00 71.10 H new ATOM 0 HB2 GLU A 54 11.833 -3.611 -1.162 1.00 2.42 H new ATOM 0 HB3 GLU A 54 11.685 -2.174 -0.169 1.00 2.42 H new ATOM 0 HG2 GLU A 54 9.982 -3.499 1.257 1.00 60.34 H new ATOM 0 HG3 GLU A 54 10.490 -4.924 0.371 1.00 60.34 H new ATOM 873 N LEU A 55 7.672 -1.963 -0.666 1.00 24.53 N ATOM 874 CA LEU A 55 6.645 -1.266 0.114 1.00 70.23 C ATOM 875 C LEU A 55 6.233 -2.144 1.303 1.00 42.15 C ATOM 876 O LEU A 55 5.573 -3.163 1.127 1.00 51.20 O ATOM 877 CB LEU A 55 5.419 -0.939 -0.785 1.00 54.42 C ATOM 878 CG LEU A 55 4.182 -0.337 -0.046 1.00 21.02 C ATOM 879 CD1 LEU A 55 4.507 1.037 0.568 1.00 21.22 C ATOM 880 CD2 LEU A 55 2.945 -0.278 -0.967 1.00 61.10 C ATOM 0 H LEU A 55 7.294 -2.612 -1.356 1.00 24.53 H new ATOM 0 HA LEU A 55 7.045 -0.325 0.491 1.00 70.23 H new ATOM 0 HB2 LEU A 55 5.734 -0.238 -1.558 1.00 54.42 H new ATOM 0 HB3 LEU A 55 5.108 -1.853 -1.291 1.00 54.42 H new ATOM 0 HG LEU A 55 3.934 -1.006 0.778 1.00 21.02 H new ATOM 0 HD11 LEU A 55 3.624 1.427 1.075 1.00 21.22 H new ATOM 0 HD12 LEU A 55 5.320 0.932 1.286 1.00 21.22 H new ATOM 0 HD13 LEU A 55 4.807 1.726 -0.221 1.00 21.22 H new ATOM 0 HD21 LEU A 55 2.103 0.146 -0.419 1.00 61.10 H new ATOM 0 HD22 LEU A 55 3.166 0.346 -1.833 1.00 61.10 H new ATOM 0 HD23 LEU A 55 2.691 -1.284 -1.300 1.00 61.10 H new ATOM 892 N ARG A 56 6.637 -1.755 2.520 1.00 71.44 N ATOM 893 CA ARG A 56 6.268 -2.472 3.750 1.00 53.32 C ATOM 894 C ARG A 56 5.107 -1.725 4.422 1.00 54.33 C ATOM 895 O ARG A 56 5.293 -0.613 4.925 1.00 4.43 O ATOM 896 CB ARG A 56 7.485 -2.588 4.710 1.00 12.25 C ATOM 897 CG ARG A 56 8.729 -3.260 4.092 1.00 13.54 C ATOM 898 CD ARG A 56 9.859 -3.481 5.113 1.00 24.41 C ATOM 899 NE ARG A 56 10.195 -2.247 5.869 1.00 65.33 N ATOM 900 CZ ARG A 56 11.379 -1.609 5.853 1.00 24.23 C ATOM 901 NH1 ARG A 56 12.388 -2.052 5.114 1.00 12.41 N ATOM 902 NH2 ARG A 56 11.553 -0.531 6.605 1.00 14.52 N ATOM 0 H ARG A 56 7.226 -0.938 2.680 1.00 71.44 H new ATOM 0 HA ARG A 56 5.955 -3.486 3.503 1.00 53.32 H new ATOM 0 HB2 ARG A 56 7.759 -1.589 5.050 1.00 12.25 H new ATOM 0 HB3 ARG A 56 7.183 -3.153 5.592 1.00 12.25 H new ATOM 0 HG2 ARG A 56 8.442 -4.220 3.662 1.00 13.54 H new ATOM 0 HG3 ARG A 56 9.101 -2.643 3.274 1.00 13.54 H new ATOM 0 HD2 ARG A 56 9.563 -4.262 5.813 1.00 24.41 H new ATOM 0 HD3 ARG A 56 10.748 -3.838 4.594 1.00 24.41 H new ATOM 0 HE ARG A 56 9.461 -1.847 6.453 1.00 65.33 H new ATOM 0 HH11 ARG A 56 12.273 -2.890 4.545 1.00 12.41 H new ATOM 0 HH12 ARG A 56 13.278 -1.554 5.115 1.00 12.41 H new ATOM 0 HH21 ARG A 56 10.791 -0.190 7.191 1.00 14.52 H new ATOM 0 HH22 ARG A 56 12.449 -0.043 6.597 1.00 14.52 H new ATOM 916 N ILE A 57 3.912 -2.328 4.384 1.00 41.41 N ATOM 917 CA ILE A 57 2.697 -1.773 4.999 1.00 41.12 C ATOM 918 C ILE A 57 2.497 -2.416 6.385 1.00 71.31 C ATOM 919 O ILE A 57 2.290 -3.625 6.491 1.00 53.53 O ATOM 920 CB ILE A 57 1.424 -2.049 4.102 1.00 45.41 C ATOM 921 CG1 ILE A 57 1.550 -1.388 2.689 1.00 54.44 C ATOM 922 CG2 ILE A 57 0.120 -1.594 4.806 1.00 13.23 C ATOM 923 CD1 ILE A 57 1.466 0.130 2.682 1.00 23.44 C ATOM 0 H ILE A 57 3.759 -3.224 3.921 1.00 41.41 H new ATOM 0 HA ILE A 57 2.818 -0.694 5.095 1.00 41.12 H new ATOM 0 HB ILE A 57 1.370 -3.128 3.958 1.00 45.41 H new ATOM 0 HG12 ILE A 57 2.501 -1.687 2.248 1.00 54.44 H new ATOM 0 HG13 ILE A 57 0.763 -1.784 2.047 1.00 54.44 H new ATOM 0 HG21 ILE A 57 -0.733 -1.800 4.160 1.00 13.23 H new ATOM 0 HG22 ILE A 57 0.004 -2.137 5.744 1.00 13.23 H new ATOM 0 HG23 ILE A 57 0.171 -0.525 5.010 1.00 13.23 H new ATOM 0 HD11 ILE A 57 1.564 0.495 1.660 1.00 23.44 H new ATOM 0 HD12 ILE A 57 0.505 0.443 3.089 1.00 23.44 H new ATOM 0 HD13 ILE A 57 2.270 0.542 3.292 1.00 23.44 H new ATOM 935 N LYS A 58 2.573 -1.596 7.428 1.00 53.40 N ATOM 936 CA LYS A 58 2.366 -2.018 8.814 1.00 60.00 C ATOM 937 C LYS A 58 1.128 -1.286 9.349 1.00 24.54 C ATOM 938 O LYS A 58 1.168 -0.077 9.554 1.00 61.13 O ATOM 939 CB LYS A 58 3.634 -1.676 9.633 1.00 52.42 C ATOM 940 CG LYS A 58 3.617 -2.157 11.098 1.00 1.33 C ATOM 941 CD LYS A 58 4.937 -1.821 11.834 1.00 23.15 C ATOM 942 CE LYS A 58 5.033 -2.472 13.219 1.00 23.41 C ATOM 943 NZ LYS A 58 6.310 -2.142 13.905 1.00 65.21 N ATOM 0 H LYS A 58 2.784 -0.602 7.335 1.00 53.40 H new ATOM 0 HA LYS A 58 2.198 -3.092 8.889 1.00 60.00 H new ATOM 0 HB2 LYS A 58 4.499 -2.113 9.134 1.00 52.42 H new ATOM 0 HB3 LYS A 58 3.773 -0.595 9.624 1.00 52.42 H new ATOM 0 HG2 LYS A 58 2.781 -1.693 11.622 1.00 1.33 H new ATOM 0 HG3 LYS A 58 3.451 -3.234 11.124 1.00 1.33 H new ATOM 0 HD2 LYS A 58 5.780 -2.149 11.225 1.00 23.15 H new ATOM 0 HD3 LYS A 58 5.022 -0.740 11.940 1.00 23.15 H new ATOM 0 HE2 LYS A 58 4.196 -2.141 13.833 1.00 23.41 H new ATOM 0 HE3 LYS A 58 4.946 -3.554 13.117 1.00 23.41 H new ATOM 0 HZ1 LYS A 58 6.332 -2.603 14.837 1.00 65.21 H new ATOM 0 HZ2 LYS A 58 7.109 -2.481 13.332 1.00 65.21 H new ATOM 0 HZ3 LYS A 58 6.383 -1.112 14.026 1.00 65.21 H new ATOM 957 N VAL A 59 0.017 -2.013 9.519 1.00 3.21 N ATOM 958 CA VAL A 59 -1.261 -1.437 9.974 1.00 14.01 C ATOM 959 C VAL A 59 -1.503 -1.821 11.436 1.00 2.23 C ATOM 960 O VAL A 59 -1.721 -2.999 11.744 1.00 43.01 O ATOM 961 CB VAL A 59 -2.482 -1.908 9.085 1.00 73.11 C ATOM 962 CG1 VAL A 59 -3.815 -1.307 9.599 1.00 12.45 C ATOM 963 CG2 VAL A 59 -2.259 -1.556 7.596 1.00 44.13 C ATOM 0 H VAL A 59 -0.025 -3.017 9.346 1.00 3.21 H new ATOM 0 HA VAL A 59 -1.189 -0.354 9.877 1.00 14.01 H new ATOM 0 HB VAL A 59 -2.548 -2.993 9.168 1.00 73.11 H new ATOM 0 HG11 VAL A 59 -4.635 -1.649 8.968 1.00 12.45 H new ATOM 0 HG12 VAL A 59 -3.988 -1.630 10.626 1.00 12.45 H new ATOM 0 HG13 VAL A 59 -3.760 -0.219 9.565 1.00 12.45 H new ATOM 0 HG21 VAL A 59 -3.115 -1.892 7.011 1.00 44.13 H new ATOM 0 HG22 VAL A 59 -2.148 -0.477 7.490 1.00 44.13 H new ATOM 0 HG23 VAL A 59 -1.357 -2.050 7.236 1.00 44.13 H new ATOM 973 N LYS A 60 -1.435 -0.829 12.336 1.00 25.11 N ATOM 974 CA LYS A 60 -1.759 -1.016 13.749 1.00 3.20 C ATOM 975 C LYS A 60 -3.265 -0.806 13.931 1.00 44.14 C ATOM 976 O LYS A 60 -3.750 0.308 13.781 1.00 2.23 O ATOM 977 CB LYS A 60 -0.961 -0.009 14.619 1.00 10.21 C ATOM 978 CG LYS A 60 -1.116 -0.225 16.137 1.00 63.22 C ATOM 979 CD LYS A 60 -0.213 0.702 16.985 1.00 13.11 C ATOM 980 CE LYS A 60 -0.448 2.196 16.709 1.00 54.35 C ATOM 981 NZ LYS A 60 0.357 3.061 17.612 1.00 32.33 N ATOM 0 H LYS A 60 -1.154 0.123 12.100 1.00 25.11 H new ATOM 0 HA LYS A 60 -1.486 -2.023 14.065 1.00 3.20 H new ATOM 0 HB2 LYS A 60 0.095 -0.079 14.359 1.00 10.21 H new ATOM 0 HB3 LYS A 60 -1.284 1.003 14.372 1.00 10.21 H new ATOM 0 HG2 LYS A 60 -2.157 -0.060 16.416 1.00 63.22 H new ATOM 0 HG3 LYS A 60 -0.883 -1.263 16.374 1.00 63.22 H new ATOM 0 HD2 LYS A 60 -0.390 0.502 18.042 1.00 13.11 H new ATOM 0 HD3 LYS A 60 0.831 0.462 16.786 1.00 13.11 H new ATOM 0 HE2 LYS A 60 -0.194 2.418 15.672 1.00 54.35 H new ATOM 0 HE3 LYS A 60 -1.506 2.426 16.834 1.00 54.35 H new ATOM 0 HZ1 LYS A 60 0.170 4.060 17.393 1.00 32.33 H new ATOM 0 HZ2 LYS A 60 0.097 2.868 18.600 1.00 32.33 H new ATOM 0 HZ3 LYS A 60 1.368 2.860 17.475 1.00 32.33 H new ATOM 995 N ALA A 61 -3.985 -1.884 14.225 1.00 61.42 N ATOM 996 CA ALA A 61 -5.443 -1.861 14.435 1.00 44.14 C ATOM 997 C ALA A 61 -5.791 -2.699 15.668 1.00 12.44 C ATOM 998 O ALA A 61 -4.942 -3.440 16.177 1.00 71.41 O ATOM 999 CB ALA A 61 -6.177 -2.378 13.183 1.00 41.05 C ATOM 0 H ALA A 61 -3.575 -2.813 14.327 1.00 61.42 H new ATOM 0 HA ALA A 61 -5.769 -0.835 14.606 1.00 44.14 H new ATOM 0 HB1 ALA A 61 -7.253 -2.354 13.356 1.00 41.05 H new ATOM 0 HB2 ALA A 61 -5.932 -1.745 12.330 1.00 41.05 H new ATOM 0 HB3 ALA A 61 -5.866 -3.402 12.976 1.00 41.05 H new ATOM 1005 N ASP A 62 -7.039 -2.563 16.142 1.00 52.13 N ATOM 1006 CA ASP A 62 -7.559 -3.308 17.307 1.00 22.23 C ATOM 1007 C ASP A 62 -7.470 -4.819 17.044 1.00 51.14 C ATOM 1008 O ASP A 62 -6.860 -5.570 17.818 1.00 41.52 O ATOM 1009 CB ASP A 62 -9.026 -2.883 17.598 1.00 73.00 C ATOM 1010 CG ASP A 62 -9.602 -3.524 18.877 1.00 15.52 C ATOM 1011 OD1 ASP A 62 -9.373 -2.975 19.976 1.00 63.31 O ATOM 1012 OD2 ASP A 62 -10.259 -4.583 18.797 1.00 12.30 O ATOM 0 H ASP A 62 -7.723 -1.930 15.727 1.00 52.13 H new ATOM 0 HA ASP A 62 -6.954 -3.075 18.183 1.00 22.23 H new ATOM 0 HB2 ASP A 62 -9.071 -1.798 17.691 1.00 73.00 H new ATOM 0 HB3 ASP A 62 -9.652 -3.157 16.749 1.00 73.00 H new ATOM 1017 N THR A 63 -8.060 -5.231 15.915 1.00 5.21 N ATOM 1018 CA THR A 63 -8.030 -6.612 15.423 1.00 42.23 C ATOM 1019 C THR A 63 -7.323 -6.661 14.063 1.00 32.42 C ATOM 1020 O THR A 63 -7.434 -5.713 13.252 1.00 52.03 O ATOM 1021 CB THR A 63 -9.476 -7.182 15.281 1.00 3.11 C ATOM 1022 OG1 THR A 63 -10.248 -6.319 14.446 1.00 13.25 O ATOM 1023 CG2 THR A 63 -10.177 -7.337 16.638 1.00 3.53 C ATOM 0 H THR A 63 -8.582 -4.600 15.307 1.00 5.21 H new ATOM 0 HA THR A 63 -7.485 -7.223 16.143 1.00 42.23 H new ATOM 0 HB THR A 63 -9.395 -8.174 14.836 1.00 3.11 H new ATOM 0 HG1 THR A 63 -11.156 -6.678 14.355 1.00 13.25 H new ATOM 0 HG21 THR A 63 -11.180 -7.737 16.486 1.00 3.53 H new ATOM 0 HG22 THR A 63 -9.606 -8.020 17.267 1.00 3.53 H new ATOM 0 HG23 THR A 63 -10.244 -6.365 17.126 1.00 3.53 H new ATOM 1031 N GLU A 64 -6.610 -7.775 13.804 1.00 21.25 N ATOM 1032 CA GLU A 64 -5.931 -7.987 12.525 1.00 63.45 C ATOM 1033 C GLU A 64 -6.952 -8.111 11.380 1.00 14.52 C ATOM 1034 O GLU A 64 -6.625 -7.765 10.256 1.00 30.34 O ATOM 1035 CB GLU A 64 -4.983 -9.214 12.569 1.00 65.45 C ATOM 1036 CG GLU A 64 -5.665 -10.570 12.806 1.00 72.05 C ATOM 1037 CD GLU A 64 -4.687 -11.749 12.727 1.00 22.05 C ATOM 1038 OE1 GLU A 64 -4.137 -11.991 11.632 1.00 4.05 O ATOM 1039 OE2 GLU A 64 -4.443 -12.426 13.749 1.00 40.24 O ATOM 0 H GLU A 64 -6.494 -8.539 14.470 1.00 21.25 H new ATOM 0 HA GLU A 64 -5.310 -7.112 12.334 1.00 63.45 H new ATOM 0 HB2 GLU A 64 -4.436 -9.262 11.628 1.00 65.45 H new ATOM 0 HB3 GLU A 64 -4.247 -9.054 13.357 1.00 65.45 H new ATOM 0 HG2 GLU A 64 -6.143 -10.565 13.786 1.00 72.05 H new ATOM 0 HG3 GLU A 64 -6.454 -10.709 12.067 1.00 72.05 H new ATOM 1046 N GLU A 65 -8.190 -8.566 11.694 1.00 0.15 N ATOM 1047 CA GLU A 65 -9.296 -8.658 10.718 1.00 33.44 C ATOM 1048 C GLU A 65 -9.643 -7.272 10.124 1.00 4.01 C ATOM 1049 O GLU A 65 -9.695 -7.110 8.896 1.00 14.25 O ATOM 1050 CB GLU A 65 -10.543 -9.301 11.378 1.00 33.11 C ATOM 1051 CG GLU A 65 -11.761 -9.492 10.448 1.00 32.41 C ATOM 1052 CD GLU A 65 -11.498 -10.432 9.253 1.00 75.43 C ATOM 1053 OE1 GLU A 65 -11.592 -11.667 9.422 1.00 2.32 O ATOM 1054 OE2 GLU A 65 -11.197 -9.949 8.141 1.00 11.43 O ATOM 0 H GLU A 65 -8.446 -8.878 12.631 1.00 0.15 H new ATOM 0 HA GLU A 65 -8.968 -9.294 9.896 1.00 33.44 H new ATOM 0 HB2 GLU A 65 -10.259 -10.273 11.781 1.00 33.11 H new ATOM 0 HB3 GLU A 65 -10.846 -8.682 12.223 1.00 33.11 H new ATOM 0 HG2 GLU A 65 -12.592 -9.887 11.032 1.00 32.41 H new ATOM 0 HG3 GLU A 65 -12.072 -8.518 10.069 1.00 32.41 H new ATOM 1061 N LYS A 66 -9.842 -6.270 11.005 1.00 4.23 N ATOM 1062 CA LYS A 66 -10.087 -4.870 10.582 1.00 43.51 C ATOM 1063 C LYS A 66 -8.878 -4.307 9.817 1.00 3.01 C ATOM 1064 O LYS A 66 -9.034 -3.506 8.890 1.00 64.30 O ATOM 1065 CB LYS A 66 -10.406 -3.980 11.802 1.00 45.35 C ATOM 1066 CG LYS A 66 -11.747 -4.306 12.497 1.00 31.15 C ATOM 1067 CD LYS A 66 -11.950 -3.487 13.799 1.00 42.10 C ATOM 1068 CE LYS A 66 -11.922 -1.968 13.565 1.00 52.21 C ATOM 1069 NZ LYS A 66 -12.156 -1.204 14.820 1.00 23.11 N ATOM 0 H LYS A 66 -9.838 -6.402 12.016 1.00 4.23 H new ATOM 0 HA LYS A 66 -10.948 -4.869 9.914 1.00 43.51 H new ATOM 0 HB2 LYS A 66 -9.600 -4.079 12.529 1.00 45.35 H new ATOM 0 HB3 LYS A 66 -10.420 -2.938 11.482 1.00 45.35 H new ATOM 0 HG2 LYS A 66 -12.569 -4.102 11.810 1.00 31.15 H new ATOM 0 HG3 LYS A 66 -11.783 -5.370 12.730 1.00 31.15 H new ATOM 0 HD2 LYS A 66 -12.904 -3.762 14.249 1.00 42.10 H new ATOM 0 HD3 LYS A 66 -11.171 -3.753 14.514 1.00 42.10 H new ATOM 0 HE2 LYS A 66 -10.958 -1.684 13.143 1.00 52.21 H new ATOM 0 HE3 LYS A 66 -12.682 -1.701 12.831 1.00 52.21 H new ATOM 0 HZ1 LYS A 66 -12.129 -0.185 14.616 1.00 23.11 H new ATOM 0 HZ2 LYS A 66 -13.087 -1.454 15.210 1.00 23.11 H new ATOM 0 HZ3 LYS A 66 -11.416 -1.438 15.512 1.00 23.11 H new ATOM 1083 N ALA A 67 -7.683 -4.750 10.226 1.00 13.21 N ATOM 1084 CA ALA A 67 -6.428 -4.386 9.567 1.00 0.34 C ATOM 1085 C ALA A 67 -6.306 -4.999 8.147 1.00 65.51 C ATOM 1086 O ALA A 67 -5.708 -4.373 7.270 1.00 44.41 O ATOM 1087 CB ALA A 67 -5.260 -4.787 10.464 1.00 41.44 C ATOM 0 H ALA A 67 -7.561 -5.372 11.025 1.00 13.21 H new ATOM 0 HA ALA A 67 -6.412 -3.306 9.421 1.00 0.34 H new ATOM 0 HB1 ALA A 67 -4.321 -4.519 9.980 1.00 41.44 H new ATOM 0 HB2 ALA A 67 -5.338 -4.266 11.418 1.00 41.44 H new ATOM 0 HB3 ALA A 67 -5.286 -5.863 10.636 1.00 41.44 H new ATOM 1093 N LYS A 68 -6.904 -6.211 7.917 1.00 42.31 N ATOM 1094 CA LYS A 68 -6.923 -6.864 6.571 1.00 65.40 C ATOM 1095 C LYS A 68 -7.658 -5.970 5.564 1.00 62.41 C ATOM 1096 O LYS A 68 -7.242 -5.839 4.412 1.00 54.31 O ATOM 1097 CB LYS A 68 -7.656 -8.242 6.560 1.00 21.44 C ATOM 1098 CG LYS A 68 -7.269 -9.250 7.643 1.00 72.50 C ATOM 1099 CD LYS A 68 -5.792 -9.698 7.619 1.00 11.35 C ATOM 1100 CE LYS A 68 -5.479 -10.642 8.793 1.00 12.03 C ATOM 1101 NZ LYS A 68 -4.068 -11.078 8.809 1.00 34.12 N ATOM 0 H LYS A 68 -7.376 -6.750 8.643 1.00 42.31 H new ATOM 0 HA LYS A 68 -5.877 -7.016 6.307 1.00 65.40 H new ATOM 0 HB2 LYS A 68 -8.727 -8.055 6.640 1.00 21.44 H new ATOM 0 HB3 LYS A 68 -7.485 -8.707 5.589 1.00 21.44 H new ATOM 0 HG2 LYS A 68 -7.485 -8.814 8.618 1.00 72.50 H new ATOM 0 HG3 LYS A 68 -7.902 -10.131 7.541 1.00 72.50 H new ATOM 0 HD2 LYS A 68 -5.577 -10.202 6.676 1.00 11.35 H new ATOM 0 HD3 LYS A 68 -5.143 -8.824 7.669 1.00 11.35 H new ATOM 0 HE2 LYS A 68 -5.711 -10.138 9.731 1.00 12.03 H new ATOM 0 HE3 LYS A 68 -6.126 -11.517 8.733 1.00 12.03 H new ATOM 0 HZ1 LYS A 68 -3.834 -11.463 9.746 1.00 34.12 H new ATOM 0 HZ2 LYS A 68 -3.923 -11.813 8.087 1.00 34.12 H new ATOM 0 HZ3 LYS A 68 -3.451 -10.266 8.605 1.00 34.12 H new ATOM 1115 N SER A 69 -8.782 -5.394 6.043 1.00 52.35 N ATOM 1116 CA SER A 69 -9.640 -4.490 5.266 1.00 50.42 C ATOM 1117 C SER A 69 -8.846 -3.268 4.779 1.00 75.44 C ATOM 1118 O SER A 69 -8.922 -2.899 3.612 1.00 33.22 O ATOM 1119 CB SER A 69 -10.841 -4.045 6.128 1.00 14.13 C ATOM 1120 OG SER A 69 -11.642 -3.095 5.450 1.00 41.15 O ATOM 0 H SER A 69 -9.118 -5.550 6.993 1.00 52.35 H new ATOM 0 HA SER A 69 -10.008 -5.023 4.389 1.00 50.42 H new ATOM 0 HB2 SER A 69 -11.446 -4.914 6.387 1.00 14.13 H new ATOM 0 HB3 SER A 69 -10.480 -3.617 7.063 1.00 14.13 H new ATOM 0 HG SER A 69 -11.928 -2.400 6.079 1.00 41.15 H new ATOM 1126 N ILE A 70 -8.045 -2.692 5.689 1.00 53.10 N ATOM 1127 CA ILE A 70 -7.219 -1.506 5.409 1.00 35.24 C ATOM 1128 C ILE A 70 -6.137 -1.830 4.346 1.00 73.31 C ATOM 1129 O ILE A 70 -5.941 -1.059 3.401 1.00 41.22 O ATOM 1130 CB ILE A 70 -6.580 -0.968 6.742 1.00 22.45 C ATOM 1131 CG1 ILE A 70 -7.715 -0.580 7.753 1.00 3.22 C ATOM 1132 CG2 ILE A 70 -5.627 0.223 6.469 1.00 22.44 C ATOM 1133 CD1 ILE A 70 -7.238 -0.138 9.120 1.00 22.12 C ATOM 0 H ILE A 70 -7.951 -3.037 6.644 1.00 53.10 H new ATOM 0 HA ILE A 70 -7.853 -0.720 4.998 1.00 35.24 H new ATOM 0 HB ILE A 70 -5.976 -1.759 7.187 1.00 22.45 H new ATOM 0 HG12 ILE A 70 -8.309 0.223 7.316 1.00 3.22 H new ATOM 0 HG13 ILE A 70 -8.378 -1.437 7.877 1.00 3.22 H new ATOM 0 HG21 ILE A 70 -5.202 0.572 7.410 1.00 22.44 H new ATOM 0 HG22 ILE A 70 -4.824 -0.098 5.805 1.00 22.44 H new ATOM 0 HG23 ILE A 70 -6.184 1.034 6.000 1.00 22.44 H new ATOM 0 HD11 ILE A 70 -8.098 0.108 9.743 1.00 22.12 H new ATOM 0 HD12 ILE A 70 -6.671 -0.944 9.586 1.00 22.12 H new ATOM 0 HD13 ILE A 70 -6.602 0.741 9.017 1.00 22.12 H new ATOM 1145 N ILE A 71 -5.496 -3.010 4.497 1.00 24.20 N ATOM 1146 CA ILE A 71 -4.515 -3.545 3.522 1.00 10.11 C ATOM 1147 C ILE A 71 -5.182 -3.772 2.144 1.00 51.34 C ATOM 1148 O ILE A 71 -4.572 -3.504 1.108 1.00 73.34 O ATOM 1149 CB ILE A 71 -3.881 -4.896 4.044 1.00 22.32 C ATOM 1150 CG1 ILE A 71 -3.104 -4.657 5.382 1.00 72.11 C ATOM 1151 CG2 ILE A 71 -2.970 -5.564 2.972 1.00 20.24 C ATOM 1152 CD1 ILE A 71 -2.636 -5.927 6.072 1.00 43.03 C ATOM 0 H ILE A 71 -5.644 -3.621 5.300 1.00 24.20 H new ATOM 0 HA ILE A 71 -3.720 -2.808 3.410 1.00 10.11 H new ATOM 0 HB ILE A 71 -4.698 -5.590 4.241 1.00 22.32 H new ATOM 0 HG12 ILE A 71 -2.237 -4.029 5.177 1.00 72.11 H new ATOM 0 HG13 ILE A 71 -3.746 -4.102 6.066 1.00 72.11 H new ATOM 0 HG21 ILE A 71 -2.555 -6.489 3.372 1.00 20.24 H new ATOM 0 HG22 ILE A 71 -3.558 -5.786 2.082 1.00 20.24 H new ATOM 0 HG23 ILE A 71 -2.158 -4.885 2.711 1.00 20.24 H new ATOM 0 HD11 ILE A 71 -2.108 -5.669 6.990 1.00 43.03 H new ATOM 0 HD12 ILE A 71 -3.498 -6.549 6.312 1.00 43.03 H new ATOM 0 HD13 ILE A 71 -1.966 -6.475 5.410 1.00 43.03 H new ATOM 1164 N LYS A 72 -6.455 -4.230 2.168 1.00 5.00 N ATOM 1165 CA LYS A 72 -7.242 -4.526 0.957 1.00 53.50 C ATOM 1166 C LYS A 72 -7.472 -3.217 0.179 1.00 42.02 C ATOM 1167 O LYS A 72 -7.263 -3.177 -1.029 1.00 62.10 O ATOM 1168 CB LYS A 72 -8.591 -5.226 1.354 1.00 12.13 C ATOM 1169 CG LYS A 72 -9.322 -6.026 0.232 1.00 50.22 C ATOM 1170 CD LYS A 72 -10.084 -5.167 -0.804 1.00 13.35 C ATOM 1171 CE LYS A 72 -11.257 -4.378 -0.192 1.00 51.32 C ATOM 1172 NZ LYS A 72 -12.007 -3.609 -1.227 1.00 55.30 N ATOM 0 H LYS A 72 -6.964 -4.404 3.035 1.00 5.00 H new ATOM 0 HA LYS A 72 -6.701 -5.216 0.309 1.00 53.50 H new ATOM 0 HB2 LYS A 72 -8.391 -5.906 2.182 1.00 12.13 H new ATOM 0 HB3 LYS A 72 -9.274 -4.462 1.727 1.00 12.13 H new ATOM 0 HG2 LYS A 72 -8.587 -6.634 -0.295 1.00 50.22 H new ATOM 0 HG3 LYS A 72 -10.028 -6.713 0.699 1.00 50.22 H new ATOM 0 HD2 LYS A 72 -9.388 -4.469 -1.270 1.00 13.35 H new ATOM 0 HD3 LYS A 72 -10.463 -5.814 -1.595 1.00 13.35 H new ATOM 0 HE2 LYS A 72 -11.935 -5.067 0.311 1.00 51.32 H new ATOM 0 HE3 LYS A 72 -10.878 -3.693 0.566 1.00 51.32 H new ATOM 0 HZ1 LYS A 72 -12.788 -3.091 -0.776 1.00 55.30 H new ATOM 0 HZ2 LYS A 72 -11.366 -2.934 -1.690 1.00 55.30 H new ATOM 0 HZ3 LYS A 72 -12.390 -4.265 -1.937 1.00 55.30 H new ATOM 1186 N LEU A 73 -7.843 -2.140 0.913 1.00 1.44 N ATOM 1187 CA LEU A 73 -8.066 -0.794 0.335 1.00 72.21 C ATOM 1188 C LEU A 73 -6.785 -0.276 -0.352 1.00 62.13 C ATOM 1189 O LEU A 73 -6.831 0.120 -1.517 1.00 44.44 O ATOM 1190 CB LEU A 73 -8.578 0.217 1.421 1.00 1.12 C ATOM 1191 CG LEU A 73 -10.135 0.313 1.612 1.00 2.31 C ATOM 1192 CD1 LEU A 73 -10.776 -1.041 1.984 1.00 54.14 C ATOM 1193 CD2 LEU A 73 -10.495 1.398 2.650 1.00 64.42 C ATOM 0 H LEU A 73 -7.996 -2.181 1.921 1.00 1.44 H new ATOM 0 HA LEU A 73 -8.845 -0.879 -0.423 1.00 72.21 H new ATOM 0 HB2 LEU A 73 -8.133 -0.056 2.378 1.00 1.12 H new ATOM 0 HB3 LEU A 73 -8.204 1.209 1.167 1.00 1.12 H new ATOM 0 HG LEU A 73 -10.552 0.600 0.647 1.00 2.31 H new ATOM 0 HD11 LEU A 73 -11.852 -0.914 2.103 1.00 54.14 H new ATOM 0 HD12 LEU A 73 -10.582 -1.765 1.193 1.00 54.14 H new ATOM 0 HD13 LEU A 73 -10.348 -1.402 2.919 1.00 54.14 H new ATOM 0 HD21 LEU A 73 -11.578 1.446 2.765 1.00 64.42 H new ATOM 0 HD22 LEU A 73 -10.039 1.150 3.608 1.00 64.42 H new ATOM 0 HD23 LEU A 73 -10.123 2.365 2.310 1.00 64.42 H new ATOM 1205 N ILE A 74 -5.644 -0.345 0.376 1.00 61.11 N ATOM 1206 CA ILE A 74 -4.316 0.079 -0.132 1.00 24.41 C ATOM 1207 C ILE A 74 -3.963 -0.688 -1.424 1.00 23.22 C ATOM 1208 O ILE A 74 -3.523 -0.094 -2.407 1.00 4.10 O ATOM 1209 CB ILE A 74 -3.178 -0.162 0.947 1.00 65.33 C ATOM 1210 CG1 ILE A 74 -3.487 0.629 2.260 1.00 21.22 C ATOM 1211 CG2 ILE A 74 -1.773 0.208 0.389 1.00 51.34 C ATOM 1212 CD1 ILE A 74 -2.558 0.344 3.422 1.00 60.14 C ATOM 0 H ILE A 74 -5.618 -0.697 1.333 1.00 61.11 H new ATOM 0 HA ILE A 74 -4.374 1.147 -0.344 1.00 24.41 H new ATOM 0 HB ILE A 74 -3.164 -1.226 1.183 1.00 65.33 H new ATOM 0 HG12 ILE A 74 -3.449 1.696 2.039 1.00 21.22 H new ATOM 0 HG13 ILE A 74 -4.508 0.403 2.569 1.00 21.22 H new ATOM 0 HG21 ILE A 74 -1.019 0.030 1.155 1.00 51.34 H new ATOM 0 HG22 ILE A 74 -1.555 -0.407 -0.484 1.00 51.34 H new ATOM 0 HG23 ILE A 74 -1.760 1.260 0.104 1.00 51.34 H new ATOM 0 HD11 ILE A 74 -2.858 0.942 4.283 1.00 60.14 H new ATOM 0 HD12 ILE A 74 -2.611 -0.714 3.679 1.00 60.14 H new ATOM 0 HD13 ILE A 74 -1.536 0.598 3.142 1.00 60.14 H new ATOM 1224 N GLU A 75 -4.223 -2.004 -1.396 1.00 22.45 N ATOM 1225 CA GLU A 75 -3.874 -2.943 -2.468 1.00 51.41 C ATOM 1226 C GLU A 75 -4.640 -2.606 -3.771 1.00 51.12 C ATOM 1227 O GLU A 75 -4.035 -2.550 -4.847 1.00 50.43 O ATOM 1228 CB GLU A 75 -4.156 -4.395 -1.967 1.00 11.32 C ATOM 1229 CG GLU A 75 -3.243 -5.483 -2.559 1.00 23.33 C ATOM 1230 CD GLU A 75 -3.483 -5.771 -4.047 1.00 53.34 C ATOM 1231 OE1 GLU A 75 -4.487 -6.443 -4.376 1.00 71.04 O ATOM 1232 OE2 GLU A 75 -2.664 -5.353 -4.886 1.00 4.42 O ATOM 0 H GLU A 75 -4.692 -2.453 -0.609 1.00 22.45 H new ATOM 0 HA GLU A 75 -2.815 -2.859 -2.712 1.00 51.41 H new ATOM 0 HB2 GLU A 75 -4.058 -4.413 -0.882 1.00 11.32 H new ATOM 0 HB3 GLU A 75 -5.191 -4.647 -2.198 1.00 11.32 H new ATOM 0 HG2 GLU A 75 -2.204 -5.182 -2.423 1.00 23.33 H new ATOM 0 HG3 GLU A 75 -3.385 -6.405 -1.995 1.00 23.33 H new ATOM 1239 N GLU A 76 -5.962 -2.337 -3.644 1.00 61.32 N ATOM 1240 CA GLU A 76 -6.826 -1.940 -4.787 1.00 73.32 C ATOM 1241 C GLU A 76 -6.302 -0.657 -5.455 1.00 2.33 C ATOM 1242 O GLU A 76 -6.251 -0.549 -6.688 1.00 13.01 O ATOM 1243 CB GLU A 76 -8.291 -1.686 -4.316 1.00 32.11 C ATOM 1244 CG GLU A 76 -8.983 -2.879 -3.632 1.00 61.51 C ATOM 1245 CD GLU A 76 -9.136 -4.128 -4.516 1.00 22.45 C ATOM 1246 OE1 GLU A 76 -10.143 -4.240 -5.242 1.00 40.33 O ATOM 1247 OE2 GLU A 76 -8.259 -5.009 -4.479 1.00 11.33 O ATOM 0 H GLU A 76 -6.458 -2.388 -2.754 1.00 61.32 H new ATOM 0 HA GLU A 76 -6.806 -2.761 -5.503 1.00 73.32 H new ATOM 0 HB2 GLU A 76 -8.291 -0.843 -3.625 1.00 32.11 H new ATOM 0 HB3 GLU A 76 -8.886 -1.390 -5.180 1.00 32.11 H new ATOM 0 HG2 GLU A 76 -8.415 -3.149 -2.741 1.00 61.51 H new ATOM 0 HG3 GLU A 76 -9.971 -2.565 -3.297 1.00 61.51 H new ATOM 1254 N ARG A 77 -5.897 0.296 -4.600 1.00 71.31 N ATOM 1255 CA ARG A 77 -5.521 1.652 -5.004 1.00 62.11 C ATOM 1256 C ARG A 77 -4.155 1.672 -5.720 1.00 32.34 C ATOM 1257 O ARG A 77 -4.057 2.171 -6.849 1.00 33.11 O ATOM 1258 CB ARG A 77 -5.505 2.581 -3.760 1.00 71.01 C ATOM 1259 CG ARG A 77 -6.868 2.780 -3.070 1.00 73.21 C ATOM 1260 CD ARG A 77 -7.898 3.514 -3.940 1.00 44.51 C ATOM 1261 NE ARG A 77 -9.169 3.706 -3.229 1.00 23.41 N ATOM 1262 CZ ARG A 77 -9.482 4.769 -2.478 1.00 53.34 C ATOM 1263 NH1 ARG A 77 -8.623 5.772 -2.314 1.00 5.54 N ATOM 1264 NH2 ARG A 77 -10.668 4.830 -1.903 1.00 14.32 N ATOM 0 H ARG A 77 -5.822 0.139 -3.595 1.00 71.31 H new ATOM 0 HA ARG A 77 -6.262 2.017 -5.715 1.00 62.11 H new ATOM 0 HB2 ARG A 77 -4.804 2.174 -3.032 1.00 71.01 H new ATOM 0 HB3 ARG A 77 -5.122 3.556 -4.060 1.00 71.01 H new ATOM 0 HG2 ARG A 77 -7.270 1.806 -2.791 1.00 73.21 H new ATOM 0 HG3 ARG A 77 -6.720 3.340 -2.147 1.00 73.21 H new ATOM 0 HD2 ARG A 77 -7.498 4.483 -4.239 1.00 44.51 H new ATOM 0 HD3 ARG A 77 -8.074 2.946 -4.854 1.00 44.51 H new ATOM 0 HE ARG A 77 -9.870 2.970 -3.314 1.00 23.41 H new ATOM 0 HH11 ARG A 77 -7.708 5.739 -2.764 1.00 5.54 H new ATOM 0 HH12 ARG A 77 -8.879 6.574 -1.738 1.00 5.54 H new ATOM 0 HH21 ARG A 77 -11.337 4.071 -2.033 1.00 14.32 H new ATOM 0 HH22 ARG A 77 -10.916 5.636 -1.329 1.00 14.32 H new ATOM 1278 N ILE A 78 -3.107 1.103 -5.060 1.00 70.32 N ATOM 1279 CA ILE A 78 -1.725 1.117 -5.598 1.00 41.13 C ATOM 1280 C ILE A 78 -1.660 0.353 -6.932 1.00 31.03 C ATOM 1281 O ILE A 78 -1.015 0.818 -7.875 1.00 34.11 O ATOM 1282 CB ILE A 78 -0.644 0.556 -4.576 1.00 43.34 C ATOM 1283 CG1 ILE A 78 -0.893 -0.949 -4.223 1.00 0.45 C ATOM 1284 CG2 ILE A 78 -0.603 1.423 -3.290 1.00 34.22 C ATOM 1285 CD1 ILE A 78 0.141 -1.586 -3.306 1.00 14.00 C ATOM 0 H ILE A 78 -3.197 0.632 -4.160 1.00 70.32 H new ATOM 0 HA ILE A 78 -1.470 2.163 -5.767 1.00 41.13 H new ATOM 0 HB ILE A 78 0.327 0.615 -5.068 1.00 43.34 H new ATOM 0 HG12 ILE A 78 -1.873 -1.037 -3.753 1.00 0.45 H new ATOM 0 HG13 ILE A 78 -0.932 -1.520 -5.151 1.00 0.45 H new ATOM 0 HG21 ILE A 78 0.143 1.022 -2.604 1.00 34.22 H new ATOM 0 HG22 ILE A 78 -0.342 2.449 -3.551 1.00 34.22 H new ATOM 0 HG23 ILE A 78 -1.582 1.409 -2.810 1.00 34.22 H new ATOM 0 HD11 ILE A 78 -0.125 -2.627 -3.125 1.00 14.00 H new ATOM 0 HD12 ILE A 78 1.123 -1.539 -3.777 1.00 14.00 H new ATOM 0 HD13 ILE A 78 0.167 -1.048 -2.358 1.00 14.00 H new ATOM 1297 N GLU A 79 -2.395 -0.782 -7.008 1.00 42.10 N ATOM 1298 CA GLU A 79 -2.524 -1.573 -8.238 1.00 62.20 C ATOM 1299 C GLU A 79 -3.115 -0.723 -9.375 1.00 74.54 C ATOM 1300 O GLU A 79 -2.460 -0.512 -10.386 1.00 54.43 O ATOM 1301 CB GLU A 79 -3.414 -2.819 -7.991 1.00 64.32 C ATOM 1302 CG GLU A 79 -3.821 -3.616 -9.257 1.00 20.40 C ATOM 1303 CD GLU A 79 -2.667 -4.341 -9.970 1.00 53.42 C ATOM 1304 OE1 GLU A 79 -1.993 -3.740 -10.837 1.00 13.11 O ATOM 1305 OE2 GLU A 79 -2.458 -5.542 -9.691 1.00 31.34 O ATOM 0 H GLU A 79 -2.911 -1.167 -6.217 1.00 42.10 H new ATOM 0 HA GLU A 79 -1.528 -1.903 -8.533 1.00 62.20 H new ATOM 0 HB2 GLU A 79 -2.886 -3.491 -7.315 1.00 64.32 H new ATOM 0 HB3 GLU A 79 -4.321 -2.499 -7.478 1.00 64.32 H new ATOM 0 HG2 GLU A 79 -4.575 -4.352 -8.977 1.00 20.40 H new ATOM 0 HG3 GLU A 79 -4.291 -2.931 -9.963 1.00 20.40 H new ATOM 1312 N GLU A 80 -4.335 -0.199 -9.146 1.00 33.45 N ATOM 1313 CA GLU A 80 -5.138 0.468 -10.186 1.00 65.51 C ATOM 1314 C GLU A 80 -4.409 1.689 -10.791 1.00 32.20 C ATOM 1315 O GLU A 80 -4.379 1.875 -12.019 1.00 12.32 O ATOM 1316 CB GLU A 80 -6.491 0.913 -9.575 1.00 51.53 C ATOM 1317 CG GLU A 80 -7.553 1.395 -10.589 1.00 50.43 C ATOM 1318 CD GLU A 80 -8.136 0.259 -11.443 1.00 42.23 C ATOM 1319 OE1 GLU A 80 -9.107 -0.390 -11.001 1.00 10.12 O ATOM 1320 OE2 GLU A 80 -7.626 -0.004 -12.552 1.00 65.32 O ATOM 0 H GLU A 80 -4.790 -0.227 -8.234 1.00 33.45 H new ATOM 0 HA GLU A 80 -5.302 -0.245 -10.994 1.00 65.51 H new ATOM 0 HB2 GLU A 80 -6.906 0.079 -9.010 1.00 51.53 H new ATOM 0 HB3 GLU A 80 -6.302 1.717 -8.864 1.00 51.53 H new ATOM 0 HG2 GLU A 80 -8.362 1.888 -10.050 1.00 50.43 H new ATOM 0 HG3 GLU A 80 -7.106 2.142 -11.246 1.00 50.43 H new ATOM 1327 N GLU A 81 -3.796 2.499 -9.907 1.00 23.32 N ATOM 1328 CA GLU A 81 -3.165 3.771 -10.292 1.00 0.30 C ATOM 1329 C GLU A 81 -1.763 3.563 -10.882 1.00 23.34 C ATOM 1330 O GLU A 81 -1.279 4.408 -11.637 1.00 65.32 O ATOM 1331 CB GLU A 81 -3.118 4.752 -9.091 1.00 23.04 C ATOM 1332 CG GLU A 81 -4.484 5.022 -8.414 1.00 63.45 C ATOM 1333 CD GLU A 81 -5.608 5.398 -9.402 1.00 2.45 C ATOM 1334 OE1 GLU A 81 -5.567 6.504 -9.975 1.00 10.51 O ATOM 1335 OE2 GLU A 81 -6.532 4.582 -9.612 1.00 43.12 O ATOM 0 H GLU A 81 -3.726 2.289 -8.911 1.00 23.32 H new ATOM 0 HA GLU A 81 -3.783 4.212 -11.074 1.00 0.30 H new ATOM 0 HB2 GLU A 81 -2.431 4.355 -8.344 1.00 23.04 H new ATOM 0 HB3 GLU A 81 -2.704 5.701 -9.432 1.00 23.04 H new ATOM 0 HG2 GLU A 81 -4.785 4.134 -7.858 1.00 63.45 H new ATOM 0 HG3 GLU A 81 -4.366 5.828 -7.689 1.00 63.45 H new ATOM 1342 N LEU A 82 -1.095 2.454 -10.533 1.00 24.12 N ATOM 1343 CA LEU A 82 0.205 2.107 -11.143 1.00 44.44 C ATOM 1344 C LEU A 82 -0.027 1.434 -12.516 1.00 64.42 C ATOM 1345 O LEU A 82 0.735 1.647 -13.460 1.00 44.10 O ATOM 1346 CB LEU A 82 1.033 1.179 -10.192 1.00 61.11 C ATOM 1347 CG LEU A 82 2.549 1.516 -10.012 1.00 1.24 C ATOM 1348 CD1 LEU A 82 3.225 0.499 -9.073 1.00 30.20 C ATOM 1349 CD2 LEU A 82 3.297 1.618 -11.361 1.00 43.51 C ATOM 0 H LEU A 82 -1.426 1.785 -9.838 1.00 24.12 H new ATOM 0 HA LEU A 82 0.782 3.019 -11.296 1.00 44.44 H new ATOM 0 HB2 LEU A 82 0.563 1.197 -9.209 1.00 61.11 H new ATOM 0 HB3 LEU A 82 0.955 0.157 -10.564 1.00 61.11 H new ATOM 0 HG LEU A 82 2.606 2.502 -9.551 1.00 1.24 H new ATOM 0 HD11 LEU A 82 4.279 0.752 -8.961 1.00 30.20 H new ATOM 0 HD12 LEU A 82 2.740 0.526 -8.097 1.00 30.20 H new ATOM 0 HD13 LEU A 82 3.135 -0.502 -9.495 1.00 30.20 H new ATOM 0 HD21 LEU A 82 4.345 1.854 -11.179 1.00 43.51 H new ATOM 0 HD22 LEU A 82 3.225 0.667 -11.890 1.00 43.51 H new ATOM 0 HD23 LEU A 82 2.848 2.405 -11.967 1.00 43.51 H new ATOM 1361 N ARG A 83 -1.119 0.654 -12.605 1.00 20.11 N ATOM 1362 CA ARG A 83 -1.434 -0.191 -13.773 1.00 4.14 C ATOM 1363 C ARG A 83 -1.874 0.657 -14.981 1.00 44.23 C ATOM 1364 O ARG A 83 -1.637 0.275 -16.133 1.00 33.20 O ATOM 1365 CB ARG A 83 -2.524 -1.228 -13.394 1.00 72.11 C ATOM 1366 CG ARG A 83 -2.886 -2.236 -14.502 1.00 50.34 C ATOM 1367 CD ARG A 83 -3.872 -3.316 -14.026 1.00 2.53 C ATOM 1368 NE ARG A 83 -5.124 -2.760 -13.473 1.00 1.23 N ATOM 1369 CZ ARG A 83 -6.003 -3.453 -12.714 1.00 12.31 C ATOM 1370 NH1 ARG A 83 -5.783 -4.734 -12.406 1.00 13.02 N ATOM 1371 NH2 ARG A 83 -7.104 -2.858 -12.269 1.00 63.04 N ATOM 0 H ARG A 83 -1.815 0.591 -11.862 1.00 20.11 H new ATOM 0 HA ARG A 83 -0.529 -0.722 -14.067 1.00 4.14 H new ATOM 0 HB2 ARG A 83 -2.187 -1.782 -12.518 1.00 72.11 H new ATOM 0 HB3 ARG A 83 -3.427 -0.692 -13.104 1.00 72.11 H new ATOM 0 HG2 ARG A 83 -3.320 -1.701 -15.346 1.00 50.34 H new ATOM 0 HG3 ARG A 83 -1.976 -2.715 -14.863 1.00 50.34 H new ATOM 0 HD2 ARG A 83 -4.112 -3.973 -14.862 1.00 2.53 H new ATOM 0 HD3 ARG A 83 -3.389 -3.930 -13.266 1.00 2.53 H new ATOM 0 HE ARG A 83 -5.341 -1.785 -13.678 1.00 1.23 H new ATOM 0 HH11 ARG A 83 -4.943 -5.203 -12.744 1.00 13.02 H new ATOM 0 HH12 ARG A 83 -6.455 -5.243 -11.833 1.00 13.02 H new ATOM 0 HH21 ARG A 83 -7.285 -1.881 -12.500 1.00 63.04 H new ATOM 0 HH22 ARG A 83 -7.769 -3.378 -11.696 1.00 63.04 H new ATOM 1385 N LYS A 84 -2.500 1.818 -14.708 1.00 21.14 N ATOM 1386 CA LYS A 84 -2.908 2.771 -15.763 1.00 23.42 C ATOM 1387 C LYS A 84 -1.674 3.408 -16.438 1.00 63.52 C ATOM 1388 O LYS A 84 -1.693 3.702 -17.632 1.00 60.20 O ATOM 1389 CB LYS A 84 -3.839 3.855 -15.168 1.00 22.21 C ATOM 1390 CG LYS A 84 -3.176 4.831 -14.171 1.00 31.10 C ATOM 1391 CD LYS A 84 -4.192 5.721 -13.419 1.00 4.05 C ATOM 1392 CE LYS A 84 -5.138 6.488 -14.357 1.00 73.52 C ATOM 1393 NZ LYS A 84 -6.192 7.221 -13.606 1.00 70.21 N ATOM 0 H LYS A 84 -2.736 2.121 -13.763 1.00 21.14 H new ATOM 0 HA LYS A 84 -3.458 2.227 -16.530 1.00 23.42 H new ATOM 0 HB2 LYS A 84 -4.263 4.434 -15.988 1.00 22.21 H new ATOM 0 HB3 LYS A 84 -4.669 3.359 -14.665 1.00 22.21 H new ATOM 0 HG2 LYS A 84 -2.597 4.260 -13.445 1.00 31.10 H new ATOM 0 HG3 LYS A 84 -2.474 5.468 -14.709 1.00 31.10 H new ATOM 0 HD2 LYS A 84 -4.783 5.098 -12.748 1.00 4.05 H new ATOM 0 HD3 LYS A 84 -3.650 6.434 -12.798 1.00 4.05 H new ATOM 0 HE2 LYS A 84 -4.562 7.194 -14.956 1.00 73.52 H new ATOM 0 HE3 LYS A 84 -5.606 5.789 -15.051 1.00 73.52 H new ATOM 0 HZ1 LYS A 84 -6.808 7.725 -14.275 1.00 70.21 H new ATOM 0 HZ2 LYS A 84 -6.759 6.546 -13.054 1.00 70.21 H new ATOM 0 HZ3 LYS A 84 -5.747 7.906 -12.962 1.00 70.21 H new ATOM 1407 N ARG A 85 -0.606 3.586 -15.640 1.00 12.40 N ATOM 1408 CA ARG A 85 0.682 4.134 -16.101 1.00 64.42 C ATOM 1409 C ARG A 85 1.517 3.015 -16.757 1.00 62.20 C ATOM 1410 O ARG A 85 2.173 3.236 -17.776 1.00 3.35 O ATOM 1411 CB ARG A 85 1.393 4.785 -14.859 1.00 64.41 C ATOM 1412 CG ARG A 85 2.891 5.201 -14.975 1.00 23.51 C ATOM 1413 CD ARG A 85 3.258 6.114 -16.172 1.00 24.51 C ATOM 1414 NE ARG A 85 3.760 5.323 -17.305 1.00 74.53 N ATOM 1415 CZ ARG A 85 4.033 5.778 -18.534 1.00 34.32 C ATOM 1416 NH1 ARG A 85 3.874 7.057 -18.854 1.00 41.11 N ATOM 1417 NH2 ARG A 85 4.454 4.924 -19.451 1.00 41.00 N ATOM 0 H ARG A 85 -0.613 3.351 -14.647 1.00 12.40 H new ATOM 0 HA ARG A 85 0.548 4.902 -16.863 1.00 64.42 H new ATOM 0 HB2 ARG A 85 0.825 5.674 -14.584 1.00 64.41 H new ATOM 0 HB3 ARG A 85 1.310 4.084 -14.028 1.00 64.41 H new ATOM 0 HG2 ARG A 85 3.177 5.711 -14.055 1.00 23.51 H new ATOM 0 HG3 ARG A 85 3.494 4.295 -15.038 1.00 23.51 H new ATOM 0 HD2 ARG A 85 2.382 6.683 -16.482 1.00 24.51 H new ATOM 0 HD3 ARG A 85 4.015 6.836 -15.865 1.00 24.51 H new ATOM 0 HE ARG A 85 3.916 4.329 -17.138 1.00 74.53 H new ATOM 0 HH11 ARG A 85 3.536 7.719 -18.156 1.00 41.11 H new ATOM 0 HH12 ARG A 85 4.090 7.377 -19.798 1.00 41.11 H new ATOM 0 HH21 ARG A 85 4.566 3.938 -19.216 1.00 41.00 H new ATOM 0 HH22 ARG A 85 4.667 5.251 -20.393 1.00 41.00 H new ATOM 1431 N ASP A 86 1.403 1.781 -16.239 1.00 61.00 N ATOM 1432 CA ASP A 86 2.172 0.623 -16.738 1.00 13.35 C ATOM 1433 C ASP A 86 1.360 -0.675 -16.565 1.00 20.14 C ATOM 1434 O ASP A 86 1.152 -1.106 -15.433 1.00 23.04 O ATOM 1435 CB ASP A 86 3.553 0.500 -16.013 1.00 33.23 C ATOM 1436 CG ASP A 86 4.573 1.547 -16.502 1.00 73.00 C ATOM 1437 OD1 ASP A 86 5.105 1.386 -17.616 1.00 41.54 O ATOM 1438 OD2 ASP A 86 4.811 2.552 -15.803 1.00 72.53 O ATOM 0 H ASP A 86 0.778 1.556 -15.465 1.00 61.00 H new ATOM 0 HA ASP A 86 2.364 0.782 -17.799 1.00 13.35 H new ATOM 0 HB2 ASP A 86 3.407 0.614 -14.939 1.00 33.23 H new ATOM 0 HB3 ASP A 86 3.957 -0.499 -16.175 1.00 33.23 H new ATOM 1443 N PRO A 87 0.885 -1.318 -17.682 1.00 41.15 N ATOM 1444 CA PRO A 87 0.175 -2.632 -17.626 1.00 61.22 C ATOM 1445 C PRO A 87 1.051 -3.752 -17.015 1.00 54.31 C ATOM 1446 O PRO A 87 0.539 -4.721 -16.453 1.00 32.12 O ATOM 1447 CB PRO A 87 -0.174 -2.915 -19.118 1.00 64.41 C ATOM 1448 CG PRO A 87 0.775 -2.059 -19.906 1.00 33.41 C ATOM 1449 CD PRO A 87 0.969 -0.812 -19.081 1.00 73.34 C ATOM 0 HA PRO A 87 -0.703 -2.604 -16.981 1.00 61.22 H new ATOM 0 HB2 PRO A 87 -0.048 -3.970 -19.360 1.00 64.41 H new ATOM 0 HB3 PRO A 87 -1.211 -2.660 -19.336 1.00 64.41 H new ATOM 0 HG2 PRO A 87 1.722 -2.572 -20.071 1.00 33.41 H new ATOM 0 HG3 PRO A 87 0.366 -1.821 -20.888 1.00 33.41 H new ATOM 0 HD2 PRO A 87 1.931 -0.341 -19.282 1.00 73.34 H new ATOM 0 HD3 PRO A 87 0.200 -0.068 -19.288 1.00 73.34 H new ATOM 1457 N ASN A 88 2.382 -3.591 -17.112 1.00 70.55 N ATOM 1458 CA ASN A 88 3.355 -4.556 -16.566 1.00 74.55 C ATOM 1459 C ASN A 88 3.752 -4.232 -15.109 1.00 32.15 C ATOM 1460 O ASN A 88 4.695 -4.833 -14.578 1.00 21.23 O ATOM 1461 CB ASN A 88 4.603 -4.624 -17.485 1.00 53.21 C ATOM 1462 CG ASN A 88 4.298 -5.291 -18.831 1.00 40.41 C ATOM 1463 OD1 ASN A 88 3.914 -4.628 -19.799 1.00 71.02 O ATOM 1464 ND2 ASN A 88 4.468 -6.607 -18.902 1.00 22.12 N ATOM 0 H ASN A 88 2.814 -2.789 -17.571 1.00 70.55 H new ATOM 0 HA ASN A 88 2.875 -5.535 -16.543 1.00 74.55 H new ATOM 0 HB2 ASN A 88 4.979 -3.616 -17.659 1.00 53.21 H new ATOM 0 HB3 ASN A 88 5.394 -5.177 -16.979 1.00 53.21 H new ATOM 0 HD21 ASN A 88 4.280 -7.099 -19.775 1.00 22.12 H new ATOM 0 HD22 ASN A 88 4.787 -7.125 -18.083 1.00 22.12 H new ATOM 1471 N ALA A 89 3.022 -3.301 -14.463 1.00 55.10 N ATOM 1472 CA ALA A 89 3.171 -3.034 -13.021 1.00 23.42 C ATOM 1473 C ALA A 89 2.688 -4.257 -12.230 1.00 10.22 C ATOM 1474 O ALA A 89 1.510 -4.621 -12.303 1.00 40.00 O ATOM 1475 CB ALA A 89 2.394 -1.775 -12.617 1.00 33.40 C ATOM 0 H ALA A 89 2.320 -2.720 -14.921 1.00 55.10 H new ATOM 0 HA ALA A 89 4.222 -2.855 -12.794 1.00 23.42 H new ATOM 0 HB1 ALA A 89 2.519 -1.598 -11.549 1.00 33.40 H new ATOM 0 HB2 ALA A 89 2.774 -0.918 -13.174 1.00 33.40 H new ATOM 0 HB3 ALA A 89 1.336 -1.913 -12.841 1.00 33.40 H new ATOM 1481 N THR A 90 3.610 -4.898 -11.501 1.00 54.43 N ATOM 1482 CA THR A 90 3.358 -6.164 -10.815 1.00 34.44 C ATOM 1483 C THR A 90 3.750 -6.029 -9.341 1.00 3.55 C ATOM 1484 O THR A 90 4.915 -5.811 -9.027 1.00 65.31 O ATOM 1485 CB THR A 90 4.162 -7.323 -11.491 1.00 1.54 C ATOM 1486 OG1 THR A 90 3.964 -7.293 -12.915 1.00 53.21 O ATOM 1487 CG2 THR A 90 3.745 -8.698 -10.955 1.00 13.05 C ATOM 0 H THR A 90 4.559 -4.547 -11.372 1.00 54.43 H new ATOM 0 HA THR A 90 2.297 -6.404 -10.884 1.00 34.44 H new ATOM 0 HB THR A 90 5.215 -7.169 -11.253 1.00 1.54 H new ATOM 0 HG1 THR A 90 4.369 -6.481 -13.285 1.00 53.21 H new ATOM 0 HG21 THR A 90 4.328 -9.474 -11.451 1.00 13.05 H new ATOM 0 HG22 THR A 90 3.925 -8.740 -9.881 1.00 13.05 H new ATOM 0 HG23 THR A 90 2.685 -8.859 -11.152 1.00 13.05 H new ATOM 1495 N ILE A 91 2.764 -6.117 -8.440 1.00 53.31 N ATOM 1496 CA ILE A 91 3.007 -6.055 -6.988 1.00 72.12 C ATOM 1497 C ILE A 91 2.943 -7.486 -6.407 1.00 50.30 C ATOM 1498 O ILE A 91 2.083 -8.290 -6.811 1.00 30.12 O ATOM 1499 CB ILE A 91 2.002 -5.067 -6.234 1.00 75.51 C ATOM 1500 CG1 ILE A 91 0.588 -5.685 -5.952 1.00 32.12 C ATOM 1501 CG2 ILE A 91 1.850 -3.728 -7.009 1.00 20.31 C ATOM 1502 CD1 ILE A 91 -0.263 -5.971 -7.180 1.00 41.53 C ATOM 0 H ILE A 91 1.782 -6.232 -8.691 1.00 53.31 H new ATOM 0 HA ILE A 91 4.001 -5.639 -6.824 1.00 72.12 H new ATOM 0 HB ILE A 91 2.458 -4.882 -5.261 1.00 75.51 H new ATOM 0 HG12 ILE A 91 0.722 -6.616 -5.400 1.00 32.12 H new ATOM 0 HG13 ILE A 91 0.038 -5.005 -5.301 1.00 32.12 H new ATOM 0 HG21 ILE A 91 1.161 -3.074 -6.474 1.00 20.31 H new ATOM 0 HG22 ILE A 91 2.822 -3.242 -7.090 1.00 20.31 H new ATOM 0 HG23 ILE A 91 1.460 -3.928 -8.007 1.00 20.31 H new ATOM 0 HD11 ILE A 91 -1.218 -6.396 -6.870 1.00 41.53 H new ATOM 0 HD12 ILE A 91 -0.438 -5.044 -7.725 1.00 41.53 H new ATOM 0 HD13 ILE A 91 0.256 -6.679 -7.826 1.00 41.53 H new ATOM 1514 N THR A 92 3.874 -7.823 -5.508 1.00 34.33 N ATOM 1515 CA THR A 92 3.898 -9.135 -4.837 1.00 63.22 C ATOM 1516 C THR A 92 3.503 -8.934 -3.370 1.00 34.35 C ATOM 1517 O THR A 92 4.315 -8.482 -2.560 1.00 20.45 O ATOM 1518 CB THR A 92 5.325 -9.794 -4.938 1.00 60.22 C ATOM 1519 OG1 THR A 92 5.717 -9.882 -6.315 1.00 20.44 O ATOM 1520 CG2 THR A 92 5.380 -11.204 -4.315 1.00 2.12 C ATOM 0 H THR A 92 4.630 -7.200 -5.223 1.00 34.33 H new ATOM 0 HA THR A 92 3.193 -9.808 -5.325 1.00 63.22 H new ATOM 0 HB THR A 92 6.008 -9.157 -4.376 1.00 60.22 H new ATOM 0 HG1 THR A 92 6.606 -10.291 -6.377 1.00 20.44 H new ATOM 0 HG21 THR A 92 6.388 -11.607 -4.415 1.00 2.12 H new ATOM 0 HG22 THR A 92 5.115 -11.146 -3.259 1.00 2.12 H new ATOM 0 HG23 THR A 92 4.676 -11.857 -4.830 1.00 2.12 H new ATOM 1528 N ARG A 93 2.258 -9.284 -3.033 1.00 51.34 N ATOM 1529 CA ARG A 93 1.721 -9.092 -1.684 1.00 11.14 C ATOM 1530 C ARG A 93 2.014 -10.356 -0.866 1.00 52.41 C ATOM 1531 O ARG A 93 1.388 -11.405 -1.066 1.00 35.25 O ATOM 1532 CB ARG A 93 0.194 -8.798 -1.754 1.00 3.32 C ATOM 1533 CG ARG A 93 -0.474 -8.522 -0.387 1.00 74.20 C ATOM 1534 CD ARG A 93 -2.005 -8.428 -0.488 1.00 23.43 C ATOM 1535 NE ARG A 93 -2.586 -9.681 -1.000 1.00 0.03 N ATOM 1536 CZ ARG A 93 -3.672 -9.785 -1.780 1.00 11.34 C ATOM 1537 NH1 ARG A 93 -4.350 -8.709 -2.169 1.00 1.15 N ATOM 1538 NH2 ARG A 93 -4.058 -10.984 -2.181 1.00 75.53 N ATOM 0 H ARG A 93 1.597 -9.707 -3.685 1.00 51.34 H new ATOM 0 HA ARG A 93 2.193 -8.237 -1.201 1.00 11.14 H new ATOM 0 HB2 ARG A 93 0.033 -7.937 -2.402 1.00 3.32 H new ATOM 0 HB3 ARG A 93 -0.305 -9.647 -2.222 1.00 3.32 H new ATOM 0 HG2 ARG A 93 -0.207 -9.316 0.311 1.00 74.20 H new ATOM 0 HG3 ARG A 93 -0.082 -7.591 0.024 1.00 74.20 H new ATOM 0 HD2 ARG A 93 -2.423 -8.205 0.494 1.00 23.43 H new ATOM 0 HD3 ARG A 93 -2.278 -7.603 -1.146 1.00 23.43 H new ATOM 0 HE ARG A 93 -2.120 -10.549 -0.737 1.00 0.03 H new ATOM 0 HH11 ARG A 93 -4.047 -7.781 -1.874 1.00 1.15 H new ATOM 0 HH12 ARG A 93 -5.173 -8.812 -2.762 1.00 1.15 H new ATOM 0 HH21 ARG A 93 -3.532 -11.811 -1.897 1.00 75.53 H new ATOM 0 HH22 ARG A 93 -4.882 -11.083 -2.775 1.00 75.53 H new ATOM 1552 N THR A 94 3.001 -10.254 0.019 1.00 34.54 N ATOM 1553 CA THR A 94 3.423 -11.337 0.907 1.00 11.31 C ATOM 1554 C THR A 94 3.117 -10.918 2.344 1.00 24.33 C ATOM 1555 O THR A 94 3.648 -9.902 2.810 1.00 3.12 O ATOM 1556 CB THR A 94 4.956 -11.599 0.725 1.00 3.44 C ATOM 1557 OG1 THR A 94 5.232 -11.904 -0.654 1.00 64.00 O ATOM 1558 CG2 THR A 94 5.478 -12.742 1.610 1.00 0.12 C ATOM 0 H THR A 94 3.543 -9.399 0.143 1.00 34.54 H new ATOM 0 HA THR A 94 2.890 -12.258 0.671 1.00 11.31 H new ATOM 0 HB THR A 94 5.472 -10.690 1.032 1.00 3.44 H new ATOM 0 HG1 THR A 94 6.192 -12.066 -0.767 1.00 64.00 H new ATOM 0 HG21 THR A 94 6.546 -12.876 1.439 1.00 0.12 H new ATOM 0 HG22 THR A 94 5.306 -12.498 2.658 1.00 0.12 H new ATOM 0 HG23 THR A 94 4.953 -13.664 1.361 1.00 0.12 H new ATOM 1566 N VAL A 95 2.251 -11.678 3.044 1.00 64.31 N ATOM 1567 CA VAL A 95 1.874 -11.348 4.422 1.00 5.41 C ATOM 1568 C VAL A 95 3.072 -11.638 5.354 1.00 32.20 C ATOM 1569 O VAL A 95 3.586 -12.761 5.428 1.00 62.14 O ATOM 1570 CB VAL A 95 0.553 -12.086 4.893 1.00 51.14 C ATOM 1571 CG1 VAL A 95 0.676 -13.631 4.862 1.00 43.11 C ATOM 1572 CG2 VAL A 95 0.095 -11.571 6.282 1.00 52.13 C ATOM 0 H VAL A 95 1.805 -12.518 2.676 1.00 64.31 H new ATOM 0 HA VAL A 95 1.634 -10.286 4.470 1.00 5.41 H new ATOM 0 HB VAL A 95 -0.221 -11.837 4.167 1.00 51.14 H new ATOM 0 HG11 VAL A 95 -0.261 -14.077 5.195 1.00 43.11 H new ATOM 0 HG12 VAL A 95 0.892 -13.958 3.845 1.00 43.11 H new ATOM 0 HG13 VAL A 95 1.483 -13.945 5.524 1.00 43.11 H new ATOM 0 HG21 VAL A 95 -0.813 -12.093 6.582 1.00 52.13 H new ATOM 0 HG22 VAL A 95 0.880 -11.756 7.016 1.00 52.13 H new ATOM 0 HG23 VAL A 95 -0.104 -10.501 6.226 1.00 52.13 H new ATOM 1582 N ARG A 96 3.554 -10.573 6.002 1.00 13.50 N ATOM 1583 CA ARG A 96 4.818 -10.576 6.762 1.00 11.34 C ATOM 1584 C ARG A 96 4.539 -10.779 8.276 1.00 14.33 C ATOM 1585 O ARG A 96 5.453 -10.731 9.103 1.00 4.43 O ATOM 1586 CB ARG A 96 5.567 -9.240 6.457 1.00 15.42 C ATOM 1587 CG ARG A 96 7.099 -9.252 6.674 1.00 31.21 C ATOM 1588 CD ARG A 96 7.839 -10.252 5.750 1.00 33.33 C ATOM 1589 NE ARG A 96 9.304 -10.062 5.780 1.00 41.22 N ATOM 1590 CZ ARG A 96 10.151 -10.605 6.675 1.00 52.50 C ATOM 1591 NH1 ARG A 96 9.713 -11.404 7.649 1.00 55.35 N ATOM 1592 NH2 ARG A 96 11.440 -10.325 6.593 1.00 41.21 N ATOM 0 H ARG A 96 3.076 -9.672 6.017 1.00 13.50 H new ATOM 0 HA ARG A 96 5.455 -11.407 6.460 1.00 11.34 H new ATOM 0 HB2 ARG A 96 5.370 -8.965 5.421 1.00 15.42 H new ATOM 0 HB3 ARG A 96 5.138 -8.456 7.082 1.00 15.42 H new ATOM 0 HG2 ARG A 96 7.492 -8.250 6.502 1.00 31.21 H new ATOM 0 HG3 ARG A 96 7.310 -9.503 7.713 1.00 31.21 H new ATOM 0 HD2 ARG A 96 7.600 -11.271 6.055 1.00 33.33 H new ATOM 0 HD3 ARG A 96 7.480 -10.133 4.728 1.00 33.33 H new ATOM 0 HE ARG A 96 9.710 -9.466 5.058 1.00 41.22 H new ATOM 0 HH11 ARG A 96 8.718 -11.615 7.727 1.00 55.35 H new ATOM 0 HH12 ARG A 96 10.373 -11.804 8.316 1.00 55.35 H new ATOM 0 HH21 ARG A 96 11.781 -9.705 5.859 1.00 41.21 H new ATOM 0 HH22 ARG A 96 12.093 -10.729 7.264 1.00 41.21 H new ATOM 1606 N THR A 97 3.253 -11.008 8.619 1.00 40.02 N ATOM 1607 CA THR A 97 2.820 -11.408 9.968 1.00 34.45 C ATOM 1608 C THR A 97 2.037 -12.734 9.891 1.00 51.34 C ATOM 1609 O THR A 97 1.026 -12.816 9.185 1.00 43.12 O ATOM 1610 CB THR A 97 1.955 -10.290 10.637 1.00 45.41 C ATOM 1611 OG1 THR A 97 2.734 -9.096 10.729 1.00 62.12 O ATOM 1612 CG2 THR A 97 1.461 -10.662 12.048 1.00 44.12 C ATOM 0 H THR A 97 2.481 -10.918 7.958 1.00 40.02 H new ATOM 0 HA THR A 97 3.704 -11.554 10.589 1.00 34.45 H new ATOM 0 HB THR A 97 1.073 -10.153 10.011 1.00 45.41 H new ATOM 0 HG1 THR A 97 3.442 -9.218 11.395 1.00 62.12 H new ATOM 0 HG21 THR A 97 0.868 -9.843 12.454 1.00 44.12 H new ATOM 0 HG22 THR A 97 0.848 -11.562 11.993 1.00 44.12 H new ATOM 0 HG23 THR A 97 2.317 -10.845 12.697 1.00 44.12 H new