USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 588 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 26 THR OG1 : rot 180:sc= 0.996 USER MOD Set 1.2: A 29 SER OG : rot 72:sc= 1.19 USER MOD Set 2.1: A 16 LYS NZ :NH3+ 146:sc= -0.66 (180deg=-2.37) USER MOD Set 2.2: A 47 ASN :FLIP amide:sc=-0.00556 F(o=-1.7,f=-0.67) USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.0992 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -160:sc= -0.39 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.989 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.12) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -140:sc= -0.581 USER MOD Single : A 46 MET CE :methyl 152:sc= -0.0723 (180deg=-0.833) USER MOD Single : A 55 ASN : amide:sc= -0.702 X(o=-0.7,f=-0.26) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.065) USER MOD Single : A 65 SER OG : rot -106:sc= 0.324 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.009 USER MOD Single : A 68 GLN :FLIP amide:sc= -2.74 F(o=-6.7!,f=-2.7) USER MOD Single : A 69 GLN : amide:sc=-0.00448 K(o=-0.0045,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.912 -2.650 9.391 1.00 0.00 N ATOM 2 CA ALA A 1 -6.565 -3.571 8.316 1.00 71.14 C ATOM 3 C ALA A 1 -6.245 -4.958 8.864 1.00 43.50 C ATOM 4 O ALA A 1 -6.077 -5.137 10.071 1.00 44.02 O ATOM 5 CB ALA A 1 -5.387 -3.032 7.518 1.00 41.22 C ATOM 0 H1 ALA A 1 -7.894 -2.330 9.271 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.815 -3.133 10.307 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.275 -1.829 9.364 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.427 -3.660 7.655 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.139 -3.730 6.719 1.00 41.22 H new ATOM 0 HB2 ALA A 1 -5.651 -2.066 7.087 1.00 41.22 H new ATOM 0 HB3 ALA A 1 -4.526 -2.913 8.176 1.00 41.22 H new ATOM 11 N LYS A 2 -6.162 -5.937 7.970 1.00 53.13 N ATOM 12 CA LYS A 2 -5.862 -7.309 8.362 1.00 20.21 C ATOM 13 C LYS A 2 -4.495 -7.739 7.836 1.00 11.11 C ATOM 14 O LYS A 2 -4.018 -7.224 6.825 1.00 31.34 O ATOM 15 CB LYS A 2 -6.942 -8.260 7.841 1.00 15.34 C ATOM 16 CG LYS A 2 -7.328 -8.006 6.395 1.00 51.43 C ATOM 17 CD LYS A 2 -8.571 -7.139 6.293 1.00 14.32 C ATOM 18 CE LYS A 2 -9.841 -7.974 6.353 1.00 72.24 C ATOM 19 NZ LYS A 2 -11.065 -7.125 6.349 1.00 42.24 N ATOM 0 H LYS A 2 -6.298 -5.806 6.968 1.00 53.13 H new ATOM 0 HA LYS A 2 -5.844 -7.352 9.451 1.00 20.21 H new ATOM 0 HB2 LYS A 2 -6.589 -9.286 7.939 1.00 15.34 H new ATOM 0 HB3 LYS A 2 -7.829 -8.167 8.467 1.00 15.34 H new ATOM 0 HG2 LYS A 2 -6.501 -7.520 5.877 1.00 51.43 H new ATOM 0 HG3 LYS A 2 -7.505 -8.957 5.892 1.00 51.43 H new ATOM 0 HD2 LYS A 2 -8.575 -6.410 7.104 1.00 14.32 H new ATOM 0 HD3 LYS A 2 -8.548 -6.577 5.359 1.00 14.32 H new ATOM 0 HE2 LYS A 2 -9.869 -8.655 5.502 1.00 72.24 H new ATOM 0 HE3 LYS A 2 -9.829 -8.589 7.253 1.00 72.24 H new ATOM 0 HZ1 LYS A 2 -11.909 -7.732 6.391 1.00 42.24 H new ATOM 0 HZ2 LYS A 2 -11.052 -6.493 7.175 1.00 42.24 H new ATOM 0 HZ3 LYS A 2 -11.090 -6.557 5.478 1.00 42.24 H new ATOM 33 N LYS A 3 -3.872 -8.688 8.527 1.00 21.22 N ATOM 34 CA LYS A 3 -2.563 -9.189 8.128 1.00 72.11 C ATOM 35 C LYS A 3 -2.566 -9.616 6.664 1.00 52.11 C ATOM 36 O LYS A 3 -1.548 -9.522 5.979 1.00 45.02 O ATOM 37 CB LYS A 3 -2.155 -10.369 9.013 1.00 54.25 C ATOM 38 CG LYS A 3 -3.214 -11.454 9.106 1.00 74.32 C ATOM 39 CD LYS A 3 -3.751 -11.589 10.522 1.00 51.13 C ATOM 40 CE LYS A 3 -2.977 -12.631 11.314 1.00 32.03 C ATOM 41 NZ LYS A 3 -3.668 -12.987 12.585 1.00 21.41 N ATOM 0 H LYS A 3 -4.253 -9.125 9.366 1.00 21.22 H new ATOM 0 HA LYS A 3 -1.840 -8.382 8.251 1.00 72.11 H new ATOM 0 HB2 LYS A 3 -1.235 -10.804 8.623 1.00 54.25 H new ATOM 0 HB3 LYS A 3 -1.934 -10.002 10.015 1.00 54.25 H new ATOM 0 HG2 LYS A 3 -4.034 -11.223 8.425 1.00 74.32 H new ATOM 0 HG3 LYS A 3 -2.791 -12.405 8.784 1.00 74.32 H new ATOM 0 HD2 LYS A 3 -3.690 -10.626 11.029 1.00 51.13 H new ATOM 0 HD3 LYS A 3 -4.805 -11.865 10.488 1.00 51.13 H new ATOM 0 HE2 LYS A 3 -2.849 -13.527 10.707 1.00 32.03 H new ATOM 0 HE3 LYS A 3 -1.980 -12.251 11.537 1.00 32.03 H new ATOM 0 HZ1 LYS A 3 -3.109 -13.700 13.096 1.00 21.41 H new ATOM 0 HZ2 LYS A 3 -3.768 -12.137 13.176 1.00 21.41 H new ATOM 0 HZ3 LYS A 3 -4.610 -13.373 12.372 1.00 21.41 H new ATOM 55 N GLU A 4 -3.717 -10.082 6.190 1.00 34.51 N ATOM 56 CA GLU A 4 -3.851 -10.522 4.806 1.00 73.22 C ATOM 57 C GLU A 4 -3.693 -9.348 3.845 1.00 11.14 C ATOM 58 O GLU A 4 -2.880 -9.391 2.921 1.00 21.14 O ATOM 59 CB GLU A 4 -5.209 -11.193 4.591 1.00 12.11 C ATOM 60 CG GLU A 4 -5.216 -12.676 4.924 1.00 11.43 C ATOM 61 CD GLU A 4 -4.823 -13.541 3.743 1.00 12.23 C ATOM 62 OE1 GLU A 4 -3.684 -13.394 3.254 1.00 22.11 O ATOM 63 OE2 GLU A 4 -5.655 -14.365 3.308 1.00 2.21 O ATOM 0 H GLU A 4 -4.570 -10.165 6.744 1.00 34.51 H new ATOM 0 HA GLU A 4 -3.061 -11.244 4.602 1.00 73.22 H new ATOM 0 HB2 GLU A 4 -5.955 -10.688 5.205 1.00 12.11 H new ATOM 0 HB3 GLU A 4 -5.509 -11.061 3.551 1.00 12.11 H new ATOM 0 HG2 GLU A 4 -4.530 -12.862 5.750 1.00 11.43 H new ATOM 0 HG3 GLU A 4 -6.211 -12.963 5.265 1.00 11.43 H new ATOM 70 N THR A 5 -4.477 -8.297 4.068 1.00 54.24 N ATOM 71 CA THR A 5 -4.427 -7.112 3.223 1.00 41.24 C ATOM 72 C THR A 5 -3.017 -6.536 3.167 1.00 13.20 C ATOM 73 O THR A 5 -2.561 -6.087 2.114 1.00 53.01 O ATOM 74 CB THR A 5 -5.395 -6.023 3.722 1.00 33.11 C ATOM 75 OG1 THR A 5 -6.738 -6.519 3.713 1.00 72.14 O ATOM 76 CG2 THR A 5 -5.304 -4.777 2.854 1.00 54.04 C ATOM 0 H THR A 5 -5.155 -8.244 4.828 1.00 54.24 H new ATOM 0 HA THR A 5 -4.729 -7.425 2.223 1.00 41.24 H new ATOM 0 HB THR A 5 -5.113 -5.758 4.741 1.00 33.11 H new ATOM 0 HG1 THR A 5 -7.365 -5.766 3.718 1.00 72.14 H new ATOM 0 HG21 THR A 5 -5.997 -4.023 3.227 1.00 54.04 H new ATOM 0 HG22 THR A 5 -4.288 -4.384 2.887 1.00 54.04 H new ATOM 0 HG23 THR A 5 -5.562 -5.030 1.826 1.00 54.04 H new ATOM 84 N ILE A 6 -2.331 -6.552 4.305 1.00 52.45 N ATOM 85 CA ILE A 6 -0.971 -6.033 4.384 1.00 52.21 C ATOM 86 C ILE A 6 -0.041 -6.778 3.433 1.00 44.43 C ATOM 87 O ILE A 6 0.757 -6.167 2.722 1.00 40.52 O ATOM 88 CB ILE A 6 -0.413 -6.134 5.816 1.00 43.13 C ATOM 89 CG1 ILE A 6 -1.314 -5.378 6.793 1.00 33.02 C ATOM 90 CG2 ILE A 6 1.008 -5.593 5.869 1.00 45.31 C ATOM 91 CD1 ILE A 6 -1.000 -5.659 8.246 1.00 64.35 C ATOM 0 H ILE A 6 -2.695 -6.919 5.185 1.00 52.45 H new ATOM 0 HA ILE A 6 -1.016 -4.983 4.094 1.00 52.21 H new ATOM 0 HB ILE A 6 -0.393 -7.184 6.109 1.00 43.13 H new ATOM 0 HG12 ILE A 6 -1.218 -4.308 6.609 1.00 33.02 H new ATOM 0 HG13 ILE A 6 -2.353 -5.643 6.596 1.00 33.02 H new ATOM 0 HG21 ILE A 6 1.389 -5.671 6.887 1.00 45.31 H new ATOM 0 HG22 ILE A 6 1.643 -6.172 5.199 1.00 45.31 H new ATOM 0 HG23 ILE A 6 1.011 -4.548 5.559 1.00 45.31 H new ATOM 0 HD11 ILE A 6 -1.678 -5.089 8.882 1.00 64.35 H new ATOM 0 HD12 ILE A 6 -1.124 -6.723 8.446 1.00 64.35 H new ATOM 0 HD13 ILE A 6 0.028 -5.367 8.459 1.00 64.35 H new ATOM 103 N ASP A 7 -0.151 -8.102 3.424 1.00 40.40 N ATOM 104 CA ASP A 7 0.678 -8.933 2.558 1.00 45.40 C ATOM 105 C ASP A 7 0.441 -8.592 1.090 1.00 22.23 C ATOM 106 O ASP A 7 1.352 -8.682 0.265 1.00 31.24 O ATOM 107 CB ASP A 7 0.385 -10.414 2.803 1.00 22.35 C ATOM 108 CG ASP A 7 1.506 -11.312 2.321 1.00 64.25 C ATOM 109 OD1 ASP A 7 1.849 -11.242 1.121 1.00 34.22 O ATOM 110 OD2 ASP A 7 2.041 -12.088 3.141 1.00 42.13 O ATOM 0 H ASP A 7 -0.806 -8.623 4.007 1.00 40.40 H new ATOM 0 HA ASP A 7 1.723 -8.733 2.796 1.00 45.40 H new ATOM 0 HB2 ASP A 7 0.224 -10.578 3.868 1.00 22.35 H new ATOM 0 HB3 ASP A 7 -0.540 -10.687 2.295 1.00 22.35 H new ATOM 115 N LYS A 8 -0.787 -8.199 0.769 1.00 31.42 N ATOM 116 CA LYS A 8 -1.144 -7.844 -0.599 1.00 40.33 C ATOM 117 C LYS A 8 -0.495 -6.525 -1.006 1.00 0.52 C ATOM 118 O LYS A 8 0.189 -6.447 -2.027 1.00 51.54 O ATOM 119 CB LYS A 8 -2.665 -7.741 -0.741 1.00 63.32 C ATOM 120 CG LYS A 8 -3.413 -8.910 -0.123 1.00 65.01 C ATOM 121 CD LYS A 8 -4.670 -9.244 -0.908 1.00 42.11 C ATOM 122 CE LYS A 8 -4.338 -9.897 -2.242 1.00 74.33 C ATOM 123 NZ LYS A 8 -4.269 -11.381 -2.131 1.00 35.31 N ATOM 0 H LYS A 8 -1.552 -8.118 1.439 1.00 31.42 H new ATOM 0 HA LYS A 8 -0.776 -8.629 -1.259 1.00 40.33 H new ATOM 0 HB2 LYS A 8 -3.003 -6.816 -0.274 1.00 63.32 H new ATOM 0 HB3 LYS A 8 -2.919 -7.676 -1.799 1.00 63.32 H new ATOM 0 HG2 LYS A 8 -2.761 -9.783 -0.089 1.00 65.01 H new ATOM 0 HG3 LYS A 8 -3.679 -8.670 0.907 1.00 65.01 H new ATOM 0 HD2 LYS A 8 -5.300 -9.913 -0.321 1.00 42.11 H new ATOM 0 HD3 LYS A 8 -5.245 -8.334 -1.080 1.00 42.11 H new ATOM 0 HE2 LYS A 8 -5.093 -9.623 -2.979 1.00 74.33 H new ATOM 0 HE3 LYS A 8 -3.384 -9.515 -2.606 1.00 74.33 H new ATOM 0 HZ1 LYS A 8 -4.041 -11.788 -3.060 1.00 35.31 H new ATOM 0 HZ2 LYS A 8 -3.531 -11.644 -1.447 1.00 35.31 H new ATOM 0 HZ3 LYS A 8 -5.187 -11.748 -1.808 1.00 35.31 H new ATOM 137 N VAL A 9 -0.713 -5.491 -0.200 1.00 23.22 N ATOM 138 CA VAL A 9 -0.146 -4.176 -0.475 1.00 21.04 C ATOM 139 C VAL A 9 1.377 -4.228 -0.507 1.00 64.44 C ATOM 140 O VAL A 9 2.003 -3.806 -1.479 1.00 4.34 O ATOM 141 CB VAL A 9 -0.590 -3.142 0.577 1.00 41.43 C ATOM 142 CG1 VAL A 9 -0.160 -1.742 0.166 1.00 64.33 C ATOM 143 CG2 VAL A 9 -2.096 -3.206 0.783 1.00 53.40 C ATOM 0 H VAL A 9 -1.278 -5.538 0.648 1.00 23.22 H new ATOM 0 HA VAL A 9 -0.517 -3.871 -1.454 1.00 21.04 H new ATOM 0 HB VAL A 9 -0.105 -3.382 1.523 1.00 41.43 H new ATOM 0 HG11 VAL A 9 -0.483 -1.026 0.922 1.00 64.33 H new ATOM 0 HG12 VAL A 9 0.925 -1.707 0.073 1.00 64.33 H new ATOM 0 HG13 VAL A 9 -0.614 -1.488 -0.792 1.00 64.33 H new ATOM 0 HG21 VAL A 9 -2.393 -2.469 1.529 1.00 53.40 H new ATOM 0 HG22 VAL A 9 -2.601 -2.992 -0.159 1.00 53.40 H new ATOM 0 HG23 VAL A 9 -2.374 -4.202 1.126 1.00 53.40 H new ATOM 153 N SER A 10 1.969 -4.752 0.561 1.00 15.23 N ATOM 154 CA SER A 10 3.420 -4.858 0.657 1.00 34.03 C ATOM 155 C SER A 10 3.993 -5.581 -0.557 1.00 63.11 C ATOM 156 O SER A 10 5.018 -5.177 -1.107 1.00 44.54 O ATOM 157 CB SER A 10 3.815 -5.596 1.938 1.00 51.55 C ATOM 158 OG SER A 10 4.087 -4.685 2.989 1.00 52.23 O ATOM 0 H SER A 10 1.466 -5.110 1.373 1.00 15.23 H new ATOM 0 HA SER A 10 3.832 -3.849 0.685 1.00 34.03 H new ATOM 0 HB2 SER A 10 3.012 -6.270 2.236 1.00 51.55 H new ATOM 0 HB3 SER A 10 4.694 -6.212 1.750 1.00 51.55 H new ATOM 0 HG SER A 10 4.335 -5.182 3.796 1.00 52.23 H new ATOM 164 N ASP A 11 3.324 -6.652 -0.970 1.00 23.43 N ATOM 165 CA ASP A 11 3.765 -7.432 -2.121 1.00 60.11 C ATOM 166 C ASP A 11 3.944 -6.541 -3.346 1.00 1.10 C ATOM 167 O ASP A 11 4.892 -6.707 -4.113 1.00 62.21 O ATOM 168 CB ASP A 11 2.760 -8.544 -2.426 1.00 0.32 C ATOM 169 CG ASP A 11 3.188 -9.883 -1.858 1.00 43.23 C ATOM 170 OD1 ASP A 11 4.059 -9.897 -0.964 1.00 52.34 O ATOM 171 OD2 ASP A 11 2.652 -10.917 -2.309 1.00 43.35 O ATOM 0 H ASP A 11 2.475 -7.000 -0.525 1.00 23.43 H new ATOM 0 HA ASP A 11 4.728 -7.880 -1.877 1.00 60.11 H new ATOM 0 HB2 ASP A 11 1.787 -8.273 -2.016 1.00 0.32 H new ATOM 0 HB3 ASP A 11 2.637 -8.633 -3.505 1.00 0.32 H new ATOM 176 N ILE A 12 3.026 -5.596 -3.523 1.00 54.34 N ATOM 177 CA ILE A 12 3.083 -4.679 -4.654 1.00 54.34 C ATOM 178 C ILE A 12 4.114 -3.581 -4.420 1.00 1.23 C ATOM 179 O ILE A 12 4.925 -3.280 -5.295 1.00 22.22 O ATOM 180 CB ILE A 12 1.711 -4.032 -4.924 1.00 52.12 C ATOM 181 CG1 ILE A 12 0.661 -5.109 -5.205 1.00 23.24 C ATOM 182 CG2 ILE A 12 1.805 -3.058 -6.089 1.00 35.33 C ATOM 183 CD1 ILE A 12 -0.656 -4.867 -4.502 1.00 44.33 C ATOM 0 H ILE A 12 2.234 -5.446 -2.898 1.00 54.34 H new ATOM 0 HA ILE A 12 3.375 -5.268 -5.524 1.00 54.34 H new ATOM 0 HB ILE A 12 1.406 -3.478 -4.036 1.00 52.12 H new ATOM 0 HG12 ILE A 12 0.486 -5.162 -6.279 1.00 23.24 H new ATOM 0 HG13 ILE A 12 1.055 -6.078 -4.898 1.00 23.24 H new ATOM 0 HG21 ILE A 12 0.828 -2.609 -6.268 1.00 35.33 H new ATOM 0 HG22 ILE A 12 2.526 -2.276 -5.852 1.00 35.33 H new ATOM 0 HG23 ILE A 12 2.129 -3.591 -6.983 1.00 35.33 H new ATOM 0 HD11 ILE A 12 -1.352 -5.669 -4.747 1.00 44.33 H new ATOM 0 HD12 ILE A 12 -0.494 -4.843 -3.424 1.00 44.33 H new ATOM 0 HD13 ILE A 12 -1.072 -3.914 -4.827 1.00 44.33 H new ATOM 195 N VAL A 13 4.076 -2.985 -3.233 1.00 73.41 N ATOM 196 CA VAL A 13 5.009 -1.921 -2.881 1.00 61.42 C ATOM 197 C VAL A 13 6.452 -2.356 -3.113 1.00 44.13 C ATOM 198 O VAL A 13 7.177 -1.746 -3.900 1.00 31.12 O ATOM 199 CB VAL A 13 4.844 -1.493 -1.411 1.00 13.10 C ATOM 200 CG1 VAL A 13 5.852 -0.412 -1.052 1.00 1.13 C ATOM 201 CG2 VAL A 13 3.423 -1.015 -1.151 1.00 61.41 C ATOM 0 H VAL A 13 3.409 -3.221 -2.498 1.00 73.41 H new ATOM 0 HA VAL A 13 4.780 -1.073 -3.526 1.00 61.42 H new ATOM 0 HB VAL A 13 5.034 -2.359 -0.776 1.00 13.10 H new ATOM 0 HG11 VAL A 13 5.720 -0.123 -0.009 1.00 1.13 H new ATOM 0 HG12 VAL A 13 6.862 -0.794 -1.197 1.00 1.13 H new ATOM 0 HG13 VAL A 13 5.697 0.457 -1.692 1.00 1.13 H new ATOM 0 HG21 VAL A 13 3.325 -0.717 -0.107 1.00 61.41 H new ATOM 0 HG22 VAL A 13 3.202 -0.163 -1.794 1.00 61.41 H new ATOM 0 HG23 VAL A 13 2.723 -1.822 -1.365 1.00 61.41 H new ATOM 211 N LYS A 14 6.863 -3.415 -2.425 1.00 75.03 N ATOM 212 CA LYS A 14 8.218 -3.935 -2.556 1.00 62.44 C ATOM 213 C LYS A 14 8.556 -4.210 -4.018 1.00 64.34 C ATOM 214 O LYS A 14 9.708 -4.089 -4.431 1.00 62.51 O ATOM 215 CB LYS A 14 8.377 -5.217 -1.735 1.00 23.11 C ATOM 216 CG LYS A 14 7.594 -6.394 -2.288 1.00 53.44 C ATOM 217 CD LYS A 14 7.244 -7.393 -1.197 1.00 44.14 C ATOM 218 CE LYS A 14 8.493 -7.964 -0.544 1.00 33.43 C ATOM 219 NZ LYS A 14 8.194 -9.190 0.247 1.00 51.13 N ATOM 0 H LYS A 14 6.276 -3.931 -1.770 1.00 75.03 H new ATOM 0 HA LYS A 14 8.908 -3.181 -2.177 1.00 62.44 H new ATOM 0 HB2 LYS A 14 9.433 -5.482 -1.692 1.00 23.11 H new ATOM 0 HB3 LYS A 14 8.054 -5.025 -0.712 1.00 23.11 H new ATOM 0 HG2 LYS A 14 6.680 -6.034 -2.760 1.00 53.44 H new ATOM 0 HG3 LYS A 14 8.179 -6.890 -3.063 1.00 53.44 H new ATOM 0 HD2 LYS A 14 6.627 -6.907 -0.441 1.00 44.14 H new ATOM 0 HD3 LYS A 14 6.651 -8.203 -1.621 1.00 44.14 H new ATOM 0 HE2 LYS A 14 9.230 -8.198 -1.312 1.00 33.43 H new ATOM 0 HE3 LYS A 14 8.939 -7.212 0.107 1.00 33.43 H new ATOM 0 HZ1 LYS A 14 9.071 -9.549 0.676 1.00 51.13 H new ATOM 0 HZ2 LYS A 14 7.510 -8.961 0.996 1.00 51.13 H new ATOM 0 HZ3 LYS A 14 7.792 -9.917 -0.378 1.00 51.13 H new ATOM 233 N GLU A 15 7.542 -4.580 -4.795 1.00 25.53 N ATOM 234 CA GLU A 15 7.734 -4.870 -6.211 1.00 41.13 C ATOM 235 C GLU A 15 7.983 -3.589 -7.002 1.00 11.23 C ATOM 236 O GLU A 15 8.706 -3.590 -7.998 1.00 32.51 O ATOM 237 CB GLU A 15 6.513 -5.601 -6.774 1.00 64.34 C ATOM 238 CG GLU A 15 6.787 -6.326 -8.081 1.00 42.43 C ATOM 239 CD GLU A 15 5.514 -6.719 -8.807 1.00 63.53 C ATOM 240 OE1 GLU A 15 4.834 -5.819 -9.342 1.00 74.22 O ATOM 241 OE2 GLU A 15 5.201 -7.928 -8.841 1.00 24.15 O ATOM 0 H GLU A 15 6.582 -4.686 -4.468 1.00 25.53 H new ATOM 0 HA GLU A 15 8.610 -5.511 -6.308 1.00 41.13 H new ATOM 0 HB2 GLU A 15 6.159 -6.321 -6.036 1.00 64.34 H new ATOM 0 HB3 GLU A 15 5.709 -4.882 -6.929 1.00 64.34 H new ATOM 0 HG2 GLU A 15 7.388 -5.687 -8.728 1.00 42.43 H new ATOM 0 HG3 GLU A 15 7.377 -7.220 -7.880 1.00 42.43 H new ATOM 248 N LYS A 16 7.377 -2.496 -6.551 1.00 14.05 N ATOM 249 CA LYS A 16 7.531 -1.206 -7.213 1.00 31.03 C ATOM 250 C LYS A 16 8.825 -0.522 -6.778 1.00 55.44 C ATOM 251 O LYS A 16 9.323 0.375 -7.458 1.00 2.51 O ATOM 252 CB LYS A 16 6.336 -0.304 -6.902 1.00 12.53 C ATOM 253 CG LYS A 16 5.009 -0.864 -7.385 1.00 70.10 C ATOM 254 CD LYS A 16 4.848 -0.700 -8.888 1.00 34.22 C ATOM 255 CE LYS A 16 4.378 0.701 -9.248 1.00 13.24 C ATOM 256 NZ LYS A 16 3.789 0.755 -10.614 1.00 14.22 N ATOM 0 H LYS A 16 6.774 -2.478 -5.729 1.00 14.05 H new ATOM 0 HA LYS A 16 7.576 -1.381 -8.288 1.00 31.03 H new ATOM 0 HB2 LYS A 16 6.283 -0.144 -5.825 1.00 12.53 H new ATOM 0 HB3 LYS A 16 6.498 0.671 -7.362 1.00 12.53 H new ATOM 0 HG2 LYS A 16 4.942 -1.920 -7.124 1.00 70.10 H new ATOM 0 HG3 LYS A 16 4.191 -0.357 -6.873 1.00 70.10 H new ATOM 0 HD2 LYS A 16 5.798 -0.904 -9.381 1.00 34.22 H new ATOM 0 HD3 LYS A 16 4.132 -1.432 -9.260 1.00 34.22 H new ATOM 0 HE2 LYS A 16 3.638 1.034 -8.520 1.00 13.24 H new ATOM 0 HE3 LYS A 16 5.218 1.393 -9.187 1.00 13.24 H new ATOM 0 HZ1 LYS A 16 3.016 1.450 -10.631 1.00 14.22 H new ATOM 0 HZ2 LYS A 16 4.522 1.035 -11.297 1.00 14.22 H new ATOM 0 HZ3 LYS A 16 3.417 -0.182 -10.869 1.00 14.22 H new ATOM 270 N LEU A 17 9.363 -0.953 -5.643 1.00 52.20 N ATOM 271 CA LEU A 17 10.599 -0.383 -5.117 1.00 42.44 C ATOM 272 C LEU A 17 11.782 -1.307 -5.390 1.00 54.20 C ATOM 273 O LEU A 17 12.937 -0.917 -5.222 1.00 73.52 O ATOM 274 CB LEU A 17 10.470 -0.130 -3.615 1.00 55.21 C ATOM 275 CG LEU A 17 9.255 0.688 -3.175 1.00 31.21 C ATOM 276 CD1 LEU A 17 9.176 0.752 -1.657 1.00 72.25 C ATOM 277 CD2 LEU A 17 9.313 2.089 -3.767 1.00 15.05 C ATOM 0 H LEU A 17 8.963 -1.695 -5.069 1.00 52.20 H new ATOM 0 HA LEU A 17 10.777 0.566 -5.623 1.00 42.44 H new ATOM 0 HB2 LEU A 17 10.438 -1.093 -3.106 1.00 55.21 H new ATOM 0 HB3 LEU A 17 11.370 0.381 -3.274 1.00 55.21 H new ATOM 0 HG LEU A 17 8.356 0.195 -3.545 1.00 31.21 H new ATOM 0 HD11 LEU A 17 8.305 1.338 -1.362 1.00 72.25 H new ATOM 0 HD12 LEU A 17 9.087 -0.257 -1.254 1.00 72.25 H new ATOM 0 HD13 LEU A 17 10.079 1.221 -1.265 1.00 72.25 H new ATOM 0 HD21 LEU A 17 8.441 2.657 -3.444 1.00 15.05 H new ATOM 0 HD22 LEU A 17 10.219 2.590 -3.427 1.00 15.05 H new ATOM 0 HD23 LEU A 17 9.321 2.024 -4.855 1.00 15.05 H new ATOM 289 N ALA A 18 11.485 -2.531 -5.813 1.00 35.21 N ATOM 290 CA ALA A 18 12.524 -3.509 -6.112 1.00 24.40 C ATOM 291 C ALA A 18 11.925 -4.792 -6.676 1.00 45.33 C ATOM 292 O ALA A 18 10.733 -4.851 -6.981 1.00 12.14 O ATOM 293 CB ALA A 18 13.341 -3.810 -4.864 1.00 13.33 C ATOM 0 H ALA A 18 10.533 -2.869 -5.956 1.00 35.21 H new ATOM 0 HA ALA A 18 13.182 -3.083 -6.870 1.00 24.40 H new ATOM 0 HB1 ALA A 18 14.113 -4.542 -5.102 1.00 13.33 H new ATOM 0 HB2 ALA A 18 13.809 -2.893 -4.505 1.00 13.33 H new ATOM 0 HB3 ALA A 18 12.688 -4.211 -4.089 1.00 13.33 H new ATOM 299 N LEU A 19 12.758 -5.817 -6.815 1.00 61.25 N ATOM 300 CA LEU A 19 12.309 -7.101 -7.345 1.00 23.31 C ATOM 301 C LEU A 19 11.568 -7.900 -6.279 1.00 72.11 C ATOM 302 O LEU A 19 10.778 -8.789 -6.593 1.00 41.04 O ATOM 303 CB LEU A 19 13.504 -7.905 -7.864 1.00 55.45 C ATOM 304 CG LEU A 19 14.290 -7.274 -9.014 1.00 14.21 C ATOM 305 CD1 LEU A 19 15.307 -6.278 -8.480 1.00 30.31 C ATOM 306 CD2 LEU A 19 14.977 -8.349 -9.843 1.00 54.52 C ATOM 0 H LEU A 19 13.747 -5.785 -6.569 1.00 61.25 H new ATOM 0 HA LEU A 19 11.623 -6.908 -8.169 1.00 23.31 H new ATOM 0 HB2 LEU A 19 14.189 -8.077 -7.034 1.00 55.45 H new ATOM 0 HB3 LEU A 19 13.146 -8.882 -8.189 1.00 55.45 H new ATOM 0 HG LEU A 19 13.591 -6.739 -9.657 1.00 14.21 H new ATOM 0 HD11 LEU A 19 15.857 -5.839 -9.312 1.00 30.31 H new ATOM 0 HD12 LEU A 19 14.791 -5.491 -7.930 1.00 30.31 H new ATOM 0 HD13 LEU A 19 16.003 -6.790 -7.815 1.00 30.31 H new ATOM 0 HD21 LEU A 19 15.532 -7.882 -10.657 1.00 54.52 H new ATOM 0 HD22 LEU A 19 15.664 -8.912 -9.211 1.00 54.52 H new ATOM 0 HD23 LEU A 19 14.228 -9.025 -10.255 1.00 54.52 H new ATOM 318 N GLY A 20 11.826 -7.576 -5.016 1.00 4.44 N ATOM 319 CA GLY A 20 11.173 -8.272 -3.923 1.00 1.21 C ATOM 320 C GLY A 20 11.921 -9.521 -3.502 1.00 2.00 C ATOM 321 O GLY A 20 11.430 -10.301 -2.687 1.00 74.02 O ATOM 0 H GLY A 20 12.476 -6.844 -4.730 1.00 4.44 H new ATOM 0 HA2 GLY A 20 11.085 -7.600 -3.069 1.00 1.21 H new ATOM 0 HA3 GLY A 20 10.160 -8.542 -4.222 1.00 1.21 H new ATOM 325 N ALA A 21 13.111 -9.713 -4.060 1.00 40.54 N ATOM 326 CA ALA A 21 13.928 -10.876 -3.738 1.00 73.24 C ATOM 327 C ALA A 21 14.824 -10.602 -2.536 1.00 12.22 C ATOM 328 O ALA A 21 14.764 -11.309 -1.530 1.00 53.20 O ATOM 329 CB ALA A 21 14.766 -11.283 -4.941 1.00 50.13 C ATOM 0 H ALA A 21 13.531 -9.077 -4.738 1.00 40.54 H new ATOM 0 HA ALA A 21 13.260 -11.697 -3.480 1.00 73.24 H new ATOM 0 HB1 ALA A 21 15.371 -12.153 -4.685 1.00 50.13 H new ATOM 0 HB2 ALA A 21 14.109 -11.530 -5.775 1.00 50.13 H new ATOM 0 HB3 ALA A 21 15.419 -10.458 -5.225 1.00 50.13 H new ATOM 335 N ASP A 22 15.655 -9.570 -2.645 1.00 51.54 N ATOM 336 CA ASP A 22 16.564 -9.202 -1.567 1.00 13.33 C ATOM 337 C ASP A 22 15.989 -8.056 -0.740 1.00 62.02 C ATOM 338 O ASP A 22 16.694 -7.440 0.060 1.00 41.20 O ATOM 339 CB ASP A 22 17.927 -8.805 -2.133 1.00 61.33 C ATOM 340 CG ASP A 22 18.588 -9.935 -2.898 1.00 54.02 C ATOM 341 OD1 ASP A 22 18.136 -11.091 -2.755 1.00 42.44 O ATOM 342 OD2 ASP A 22 19.558 -9.666 -3.637 1.00 1.31 O ATOM 0 H ASP A 22 15.717 -8.974 -3.470 1.00 51.54 H new ATOM 0 HA ASP A 22 16.688 -10.069 -0.918 1.00 13.33 H new ATOM 0 HB2 ASP A 22 17.807 -7.945 -2.792 1.00 61.33 H new ATOM 0 HB3 ASP A 22 18.579 -8.492 -1.317 1.00 61.33 H new ATOM 347 N VAL A 23 14.705 -7.774 -0.940 1.00 75.24 N ATOM 348 CA VAL A 23 14.036 -6.702 -0.213 1.00 10.45 C ATOM 349 C VAL A 23 12.854 -7.235 0.588 1.00 71.34 C ATOM 350 O VAL A 23 12.069 -8.044 0.094 1.00 43.34 O ATOM 351 CB VAL A 23 13.540 -5.601 -1.169 1.00 54.22 C ATOM 352 CG1 VAL A 23 12.818 -4.508 -0.395 1.00 23.13 C ATOM 353 CG2 VAL A 23 14.700 -5.025 -1.965 1.00 41.23 C ATOM 0 H VAL A 23 14.108 -8.273 -1.599 1.00 75.24 H new ATOM 0 HA VAL A 23 14.771 -6.276 0.470 1.00 10.45 H new ATOM 0 HB VAL A 23 12.833 -6.044 -1.871 1.00 54.22 H new ATOM 0 HG11 VAL A 23 12.475 -3.739 -1.087 1.00 23.13 H new ATOM 0 HG12 VAL A 23 11.962 -4.936 0.126 1.00 23.13 H new ATOM 0 HG13 VAL A 23 13.500 -4.065 0.331 1.00 23.13 H new ATOM 0 HG21 VAL A 23 14.331 -4.249 -2.635 1.00 41.23 H new ATOM 0 HG22 VAL A 23 15.433 -4.596 -1.282 1.00 41.23 H new ATOM 0 HG23 VAL A 23 15.169 -5.817 -2.550 1.00 41.23 H new ATOM 363 N VAL A 24 12.732 -6.778 1.831 1.00 25.24 N ATOM 364 CA VAL A 24 11.645 -7.207 2.701 1.00 75.53 C ATOM 365 C VAL A 24 10.922 -6.011 3.309 1.00 14.22 C ATOM 366 O VAL A 24 11.541 -5.148 3.931 1.00 32.43 O ATOM 367 CB VAL A 24 12.158 -8.113 3.836 1.00 65.15 C ATOM 368 CG1 VAL A 24 11.000 -8.614 4.685 1.00 22.53 C ATOM 369 CG2 VAL A 24 12.956 -9.278 3.268 1.00 44.12 C ATOM 0 H VAL A 24 13.374 -6.110 2.257 1.00 25.24 H new ATOM 0 HA VAL A 24 10.949 -7.772 2.081 1.00 75.53 H new ATOM 0 HB VAL A 24 12.818 -7.526 4.475 1.00 65.15 H new ATOM 0 HG11 VAL A 24 11.382 -9.252 5.481 1.00 22.53 H new ATOM 0 HG12 VAL A 24 10.475 -7.765 5.121 1.00 22.53 H new ATOM 0 HG13 VAL A 24 10.312 -9.185 4.061 1.00 22.53 H new ATOM 0 HG21 VAL A 24 13.311 -9.908 4.084 1.00 44.12 H new ATOM 0 HG22 VAL A 24 12.320 -9.866 2.606 1.00 44.12 H new ATOM 0 HG23 VAL A 24 13.809 -8.896 2.707 1.00 44.12 H new ATOM 379 N VAL A 25 9.606 -5.965 3.126 1.00 62.20 N ATOM 380 CA VAL A 25 8.797 -4.875 3.657 1.00 0.15 C ATOM 381 C VAL A 25 7.825 -5.379 4.718 1.00 33.32 C ATOM 382 O VAL A 25 7.321 -6.499 4.633 1.00 11.00 O ATOM 383 CB VAL A 25 8.003 -4.170 2.542 1.00 50.13 C ATOM 384 CG1 VAL A 25 7.090 -5.157 1.831 1.00 15.04 C ATOM 385 CG2 VAL A 25 7.205 -3.006 3.111 1.00 53.34 C ATOM 0 H VAL A 25 9.077 -6.671 2.613 1.00 62.20 H new ATOM 0 HA VAL A 25 9.485 -4.161 4.109 1.00 0.15 H new ATOM 0 HB VAL A 25 8.708 -3.774 1.812 1.00 50.13 H new ATOM 0 HG11 VAL A 25 6.537 -4.641 1.046 1.00 15.04 H new ATOM 0 HG12 VAL A 25 7.689 -5.953 1.389 1.00 15.04 H new ATOM 0 HG13 VAL A 25 6.389 -5.585 2.547 1.00 15.04 H new ATOM 0 HG21 VAL A 25 6.650 -2.519 2.309 1.00 53.34 H new ATOM 0 HG22 VAL A 25 6.508 -3.376 3.863 1.00 53.34 H new ATOM 0 HG23 VAL A 25 7.885 -2.288 3.569 1.00 53.34 H new ATOM 395 N THR A 26 7.565 -4.543 5.719 1.00 24.21 N ATOM 396 CA THR A 26 6.653 -4.903 6.798 1.00 31.32 C ATOM 397 C THR A 26 5.710 -3.752 7.128 1.00 63.01 C ATOM 398 O THR A 26 5.934 -2.615 6.712 1.00 70.14 O ATOM 399 CB THR A 26 7.422 -5.304 8.072 1.00 10.41 C ATOM 400 OG1 THR A 26 8.675 -4.613 8.126 1.00 52.13 O ATOM 401 CG2 THR A 26 7.662 -6.806 8.108 1.00 25.41 C ATOM 0 H THR A 26 7.973 -3.612 5.805 1.00 24.21 H new ATOM 0 HA THR A 26 6.071 -5.756 6.449 1.00 31.32 H new ATOM 0 HB THR A 26 6.819 -5.028 8.937 1.00 10.41 H new ATOM 0 HG1 THR A 26 9.157 -4.872 8.939 1.00 52.13 H new ATOM 0 HG21 THR A 26 8.206 -7.066 9.016 1.00 25.41 H new ATOM 0 HG22 THR A 26 6.705 -7.328 8.097 1.00 25.41 H new ATOM 0 HG23 THR A 26 8.247 -7.102 7.237 1.00 25.41 H new ATOM 409 N ALA A 27 4.656 -4.053 7.878 1.00 35.41 N ATOM 410 CA ALA A 27 3.680 -3.043 8.267 1.00 2.33 C ATOM 411 C ALA A 27 4.342 -1.912 9.049 1.00 60.34 C ATOM 412 O ALA A 27 3.836 -0.791 9.083 1.00 34.24 O ATOM 413 CB ALA A 27 2.566 -3.674 9.088 1.00 15.34 C ATOM 0 H ALA A 27 4.456 -4.990 8.229 1.00 35.41 H new ATOM 0 HA ALA A 27 3.251 -2.619 7.359 1.00 2.33 H new ATOM 0 HB1 ALA A 27 1.844 -2.908 9.372 1.00 15.34 H new ATOM 0 HB2 ALA A 27 2.067 -4.441 8.496 1.00 15.34 H new ATOM 0 HB3 ALA A 27 2.987 -4.126 9.986 1.00 15.34 H new ATOM 419 N ASP A 28 5.473 -2.216 9.674 1.00 62.33 N ATOM 420 CA ASP A 28 6.204 -1.225 10.455 1.00 22.52 C ATOM 421 C ASP A 28 7.154 -0.426 9.568 1.00 5.13 C ATOM 422 O ASP A 28 7.592 0.665 9.934 1.00 52.21 O ATOM 423 CB ASP A 28 6.989 -1.907 11.577 1.00 34.01 C ATOM 424 CG ASP A 28 7.446 -0.928 12.641 1.00 64.52 C ATOM 425 OD1 ASP A 28 6.704 0.036 12.918 1.00 23.24 O ATOM 426 OD2 ASP A 28 8.548 -1.126 13.196 1.00 31.10 O ATOM 0 H ASP A 28 5.904 -3.140 9.655 1.00 62.33 H new ATOM 0 HA ASP A 28 5.480 -0.538 10.893 1.00 22.52 H new ATOM 0 HB2 ASP A 28 6.367 -2.675 12.037 1.00 34.01 H new ATOM 0 HB3 ASP A 28 7.858 -2.411 11.154 1.00 34.01 H new ATOM 431 N SER A 29 7.468 -0.976 8.399 1.00 53.12 N ATOM 432 CA SER A 29 8.369 -0.317 7.462 1.00 42.45 C ATOM 433 C SER A 29 7.688 0.878 6.802 1.00 13.42 C ATOM 434 O SER A 29 6.634 0.740 6.181 1.00 64.12 O ATOM 435 CB SER A 29 8.838 -1.304 6.391 1.00 74.14 C ATOM 436 OG SER A 29 9.557 -2.380 6.970 1.00 53.11 O ATOM 0 H SER A 29 7.111 -1.876 8.079 1.00 53.12 H new ATOM 0 HA SER A 29 9.234 0.041 8.021 1.00 42.45 H new ATOM 0 HB2 SER A 29 7.977 -1.690 5.845 1.00 74.14 H new ATOM 0 HB3 SER A 29 9.469 -0.788 5.668 1.00 74.14 H new ATOM 0 HG SER A 29 8.936 -2.967 7.450 1.00 53.11 H new ATOM 442 N GLU A 30 8.297 2.052 6.944 1.00 51.24 N ATOM 443 CA GLU A 30 7.748 3.271 6.364 1.00 1.14 C ATOM 444 C GLU A 30 8.057 3.350 4.872 1.00 3.22 C ATOM 445 O GLU A 30 9.124 2.932 4.424 1.00 71.53 O ATOM 446 CB GLU A 30 8.312 4.501 7.078 1.00 32.41 C ATOM 447 CG GLU A 30 8.220 4.421 8.593 1.00 24.31 C ATOM 448 CD GLU A 30 8.077 5.784 9.241 1.00 33.40 C ATOM 449 OE1 GLU A 30 6.928 6.241 9.412 1.00 71.10 O ATOM 450 OE2 GLU A 30 9.115 6.393 9.578 1.00 13.30 O ATOM 0 H GLU A 30 9.170 2.184 7.455 1.00 51.24 H new ATOM 0 HA GLU A 30 6.666 3.249 6.493 1.00 1.14 H new ATOM 0 HB2 GLU A 30 9.356 4.630 6.792 1.00 32.41 H new ATOM 0 HB3 GLU A 30 7.776 5.387 6.736 1.00 32.41 H new ATOM 0 HG2 GLU A 30 7.368 3.800 8.869 1.00 24.31 H new ATOM 0 HG3 GLU A 30 9.112 3.930 8.982 1.00 24.31 H new ATOM 457 N PHE A 31 7.113 3.889 4.106 1.00 3.22 N ATOM 458 CA PHE A 31 7.283 4.022 2.663 1.00 34.42 C ATOM 459 C PHE A 31 8.567 4.777 2.334 1.00 21.11 C ATOM 460 O PHE A 31 9.185 4.548 1.294 1.00 10.14 O ATOM 461 CB PHE A 31 6.081 4.745 2.052 1.00 72.12 C ATOM 462 CG PHE A 31 4.872 3.868 1.891 1.00 1.12 C ATOM 463 CD1 PHE A 31 4.856 2.854 0.948 1.00 63.10 C ATOM 464 CD2 PHE A 31 3.751 4.060 2.683 1.00 64.33 C ATOM 465 CE1 PHE A 31 3.745 2.046 0.797 1.00 71.32 C ATOM 466 CE2 PHE A 31 2.638 3.254 2.537 1.00 14.21 C ATOM 467 CZ PHE A 31 2.634 2.246 1.592 1.00 21.11 C ATOM 0 H PHE A 31 6.223 4.240 4.460 1.00 3.22 H new ATOM 0 HA PHE A 31 7.352 3.021 2.236 1.00 34.42 H new ATOM 0 HB2 PHE A 31 5.821 5.596 2.681 1.00 72.12 H new ATOM 0 HB3 PHE A 31 6.364 5.143 1.077 1.00 72.12 H new ATOM 0 HD1 PHE A 31 5.722 2.693 0.323 1.00 63.10 H new ATOM 0 HD2 PHE A 31 3.747 4.848 3.422 1.00 64.33 H new ATOM 0 HE1 PHE A 31 3.746 1.259 0.058 1.00 71.32 H new ATOM 0 HE2 PHE A 31 1.771 3.412 3.162 1.00 14.21 H new ATOM 0 HZ PHE A 31 1.764 1.616 1.476 1.00 21.11 H new ATOM 477 N SER A 32 8.961 5.679 3.227 1.00 62.42 N ATOM 478 CA SER A 32 10.169 6.472 3.029 1.00 31.54 C ATOM 479 C SER A 32 11.418 5.631 3.279 1.00 43.44 C ATOM 480 O SER A 32 12.475 5.879 2.697 1.00 1.22 O ATOM 481 CB SER A 32 10.166 7.686 3.960 1.00 35.40 C ATOM 482 OG SER A 32 9.446 8.765 3.389 1.00 63.14 O ATOM 0 H SER A 32 8.462 5.879 4.094 1.00 62.42 H new ATOM 0 HA SER A 32 10.183 6.815 1.994 1.00 31.54 H new ATOM 0 HB2 SER A 32 9.721 7.413 4.917 1.00 35.40 H new ATOM 0 HB3 SER A 32 11.191 7.996 4.162 1.00 35.40 H new ATOM 0 HG SER A 32 9.457 9.528 4.004 1.00 63.14 H new ATOM 488 N LYS A 33 11.288 4.632 4.146 1.00 25.24 N ATOM 489 CA LYS A 33 12.404 3.752 4.472 1.00 40.01 C ATOM 490 C LYS A 33 12.643 2.740 3.357 1.00 44.43 C ATOM 491 O LYS A 33 13.786 2.410 3.038 1.00 3.21 O ATOM 492 CB LYS A 33 12.135 3.021 5.789 1.00 53.42 C ATOM 493 CG LYS A 33 12.617 3.777 7.015 1.00 61.12 C ATOM 494 CD LYS A 33 12.875 2.840 8.183 1.00 4.42 C ATOM 495 CE LYS A 33 12.638 3.533 9.516 1.00 22.44 C ATOM 496 NZ LYS A 33 13.420 4.796 9.631 1.00 74.54 N ATOM 0 H LYS A 33 10.421 4.412 4.635 1.00 25.24 H new ATOM 0 HA LYS A 33 13.299 4.366 4.579 1.00 40.01 H new ATOM 0 HB2 LYS A 33 11.064 2.840 5.882 1.00 53.42 H new ATOM 0 HB3 LYS A 33 12.622 2.046 5.759 1.00 53.42 H new ATOM 0 HG2 LYS A 33 13.531 4.319 6.773 1.00 61.12 H new ATOM 0 HG3 LYS A 33 11.873 4.520 7.301 1.00 61.12 H new ATOM 0 HD2 LYS A 33 12.224 1.970 8.103 1.00 4.42 H new ATOM 0 HD3 LYS A 33 13.901 2.475 8.139 1.00 4.42 H new ATOM 0 HE2 LYS A 33 11.576 3.752 9.628 1.00 22.44 H new ATOM 0 HE3 LYS A 33 12.912 2.861 10.329 1.00 22.44 H new ATOM 0 HZ1 LYS A 33 13.353 5.159 10.603 1.00 74.54 H new ATOM 0 HZ2 LYS A 33 14.416 4.610 9.399 1.00 74.54 H new ATOM 0 HZ3 LYS A 33 13.037 5.503 8.971 1.00 74.54 H new ATOM 510 N LEU A 34 11.559 2.252 2.764 1.00 14.22 N ATOM 511 CA LEU A 34 11.650 1.279 1.682 1.00 50.14 C ATOM 512 C LEU A 34 12.238 1.914 0.426 1.00 2.21 C ATOM 513 O LEU A 34 12.753 1.221 -0.450 1.00 53.33 O ATOM 514 CB LEU A 34 10.269 0.697 1.375 1.00 42.22 C ATOM 515 CG LEU A 34 9.522 0.081 2.557 1.00 73.13 C ATOM 516 CD1 LEU A 34 8.034 -0.013 2.259 1.00 51.22 C ATOM 517 CD2 LEU A 34 10.087 -1.292 2.889 1.00 64.50 C ATOM 0 H LEU A 34 10.606 2.515 3.015 1.00 14.22 H new ATOM 0 HA LEU A 34 12.312 0.476 2.004 1.00 50.14 H new ATOM 0 HB2 LEU A 34 9.650 1.488 0.952 1.00 42.22 H new ATOM 0 HB3 LEU A 34 10.382 -0.066 0.605 1.00 42.22 H new ATOM 0 HG LEU A 34 9.659 0.728 3.423 1.00 73.13 H new ATOM 0 HD11 LEU A 34 7.519 -0.454 3.112 1.00 51.22 H new ATOM 0 HD12 LEU A 34 7.637 0.985 2.072 1.00 51.22 H new ATOM 0 HD13 LEU A 34 7.878 -0.637 1.379 1.00 51.22 H new ATOM 0 HD21 LEU A 34 9.543 -1.715 3.733 1.00 64.50 H new ATOM 0 HD22 LEU A 34 9.982 -1.947 2.024 1.00 64.50 H new ATOM 0 HD23 LEU A 34 11.142 -1.199 3.148 1.00 64.50 H new ATOM 529 N GLY A 35 12.158 3.239 0.347 1.00 22.22 N ATOM 530 CA GLY A 35 12.688 3.946 -0.805 1.00 31.02 C ATOM 531 C GLY A 35 11.601 4.604 -1.632 1.00 13.13 C ATOM 532 O GLY A 35 11.886 5.270 -2.626 1.00 44.13 O ATOM 0 H GLY A 35 11.736 3.835 1.059 1.00 22.22 H new ATOM 0 HA2 GLY A 35 13.394 4.705 -0.468 1.00 31.02 H new ATOM 0 HA3 GLY A 35 13.245 3.249 -1.431 1.00 31.02 H new ATOM 536 N ALA A 36 10.351 4.418 -1.219 1.00 61.34 N ATOM 537 CA ALA A 36 9.218 4.998 -1.929 1.00 23.44 C ATOM 538 C ALA A 36 8.962 6.432 -1.475 1.00 53.01 C ATOM 539 O ALA A 36 8.533 6.667 -0.345 1.00 22.14 O ATOM 540 CB ALA A 36 7.974 4.147 -1.723 1.00 33.01 C ATOM 0 H ALA A 36 10.098 3.870 -0.397 1.00 61.34 H new ATOM 0 HA ALA A 36 9.458 5.018 -2.992 1.00 23.44 H new ATOM 0 HB1 ALA A 36 7.136 4.592 -2.259 1.00 33.01 H new ATOM 0 HB2 ALA A 36 8.154 3.141 -2.102 1.00 33.01 H new ATOM 0 HB3 ALA A 36 7.739 4.097 -0.660 1.00 33.01 H new ATOM 546 N ASP A 37 9.229 7.385 -2.360 1.00 41.54 N ATOM 547 CA ASP A 37 9.026 8.795 -2.051 1.00 30.21 C ATOM 548 C ASP A 37 7.596 9.221 -2.366 1.00 22.02 C ATOM 549 O ASP A 37 6.762 8.399 -2.746 1.00 20.14 O ATOM 550 CB ASP A 37 10.014 9.658 -2.837 1.00 63.40 C ATOM 551 CG ASP A 37 11.451 9.427 -2.412 1.00 44.44 C ATOM 552 OD1 ASP A 37 11.889 8.257 -2.413 1.00 40.10 O ATOM 553 OD2 ASP A 37 12.137 10.415 -2.081 1.00 24.25 O ATOM 0 H ASP A 37 9.587 7.207 -3.298 1.00 41.54 H new ATOM 0 HA ASP A 37 9.200 8.936 -0.984 1.00 30.21 H new ATOM 0 HB2 ASP A 37 9.914 9.442 -3.901 1.00 63.40 H new ATOM 0 HB3 ASP A 37 9.762 10.710 -2.700 1.00 63.40 H new ATOM 558 N SER A 38 7.320 10.511 -2.204 1.00 5.45 N ATOM 559 CA SER A 38 5.988 11.046 -2.467 1.00 24.03 C ATOM 560 C SER A 38 5.618 10.884 -3.938 1.00 11.21 C ATOM 561 O SER A 38 4.440 10.835 -4.292 1.00 75.13 O ATOM 562 CB SER A 38 5.922 12.523 -2.072 1.00 73.12 C ATOM 563 OG SER A 38 5.110 12.709 -0.926 1.00 72.54 O ATOM 0 H SER A 38 8.000 11.205 -1.892 1.00 5.45 H new ATOM 0 HA SER A 38 5.272 10.484 -1.867 1.00 24.03 H new ATOM 0 HB2 SER A 38 6.927 12.895 -1.873 1.00 73.12 H new ATOM 0 HB3 SER A 38 5.524 13.107 -2.902 1.00 73.12 H new ATOM 0 HG SER A 38 5.086 13.661 -0.693 1.00 72.54 H new ATOM 569 N LEU A 39 6.633 10.803 -4.791 1.00 24.20 N ATOM 570 CA LEU A 39 6.416 10.647 -6.225 1.00 62.14 C ATOM 571 C LEU A 39 6.109 9.194 -6.575 1.00 35.33 C ATOM 572 O LEU A 39 5.419 8.913 -7.555 1.00 13.14 O ATOM 573 CB LEU A 39 7.646 11.120 -7.002 1.00 21.31 C ATOM 574 CG LEU A 39 8.030 12.589 -6.821 1.00 2.24 C ATOM 575 CD1 LEU A 39 9.238 12.936 -7.677 1.00 50.14 C ATOM 576 CD2 LEU A 39 6.855 13.493 -7.163 1.00 55.00 C ATOM 0 H LEU A 39 7.614 10.843 -4.515 1.00 24.20 H new ATOM 0 HA LEU A 39 5.559 11.259 -6.505 1.00 62.14 H new ATOM 0 HB2 LEU A 39 8.496 10.504 -6.708 1.00 21.31 H new ATOM 0 HB3 LEU A 39 7.473 10.938 -8.063 1.00 21.31 H new ATOM 0 HG LEU A 39 8.294 12.749 -5.776 1.00 2.24 H new ATOM 0 HD11 LEU A 39 9.496 13.985 -7.534 1.00 50.14 H new ATOM 0 HD12 LEU A 39 10.083 12.312 -7.385 1.00 50.14 H new ATOM 0 HD13 LEU A 39 9.003 12.760 -8.727 1.00 50.14 H new ATOM 0 HD21 LEU A 39 7.146 14.535 -7.029 1.00 55.00 H new ATOM 0 HD22 LEU A 39 6.560 13.330 -8.199 1.00 55.00 H new ATOM 0 HD23 LEU A 39 6.016 13.263 -6.506 1.00 55.00 H new ATOM 588 N ASP A 40 6.623 8.275 -5.765 1.00 45.00 N ATOM 589 CA ASP A 40 6.401 6.851 -5.986 1.00 71.35 C ATOM 590 C ASP A 40 5.037 6.424 -5.455 1.00 35.35 C ATOM 591 O ASP A 40 4.436 5.468 -5.947 1.00 31.23 O ATOM 592 CB ASP A 40 7.504 6.030 -5.314 1.00 42.42 C ATOM 593 CG ASP A 40 8.456 5.411 -6.316 1.00 62.43 C ATOM 594 OD1 ASP A 40 7.978 4.733 -7.250 1.00 3.14 O ATOM 595 OD2 ASP A 40 9.682 5.601 -6.166 1.00 63.24 O ATOM 0 H ASP A 40 7.196 8.491 -4.949 1.00 45.00 H new ATOM 0 HA ASP A 40 6.426 6.668 -7.060 1.00 71.35 H new ATOM 0 HB2 ASP A 40 8.064 6.669 -4.632 1.00 42.42 H new ATOM 0 HB3 ASP A 40 7.051 5.242 -4.713 1.00 42.42 H new ATOM 600 N THR A 41 4.551 7.140 -4.445 1.00 21.43 N ATOM 601 CA THR A 41 3.258 6.835 -3.843 1.00 3.01 C ATOM 602 C THR A 41 2.176 6.700 -4.908 1.00 14.21 C ATOM 603 O THR A 41 1.294 5.846 -4.806 1.00 65.42 O ATOM 604 CB THR A 41 2.837 7.921 -2.835 1.00 65.54 C ATOM 605 OG1 THR A 41 3.984 8.667 -2.413 1.00 12.34 O ATOM 606 CG2 THR A 41 2.156 7.300 -1.625 1.00 32.22 C ATOM 0 H THR A 41 5.034 7.935 -4.027 1.00 21.43 H new ATOM 0 HA THR A 41 3.369 5.886 -3.318 1.00 3.01 H new ATOM 0 HB THR A 41 2.130 8.589 -3.327 1.00 65.54 H new ATOM 0 HG1 THR A 41 3.918 8.854 -1.453 1.00 12.34 H new ATOM 0 HG21 THR A 41 1.867 8.086 -0.927 1.00 32.22 H new ATOM 0 HG22 THR A 41 1.268 6.756 -1.947 1.00 32.22 H new ATOM 0 HG23 THR A 41 2.844 6.612 -1.133 1.00 32.22 H new ATOM 614 N VAL A 42 2.247 7.547 -5.930 1.00 74.02 N ATOM 615 CA VAL A 42 1.274 7.520 -7.015 1.00 55.33 C ATOM 616 C VAL A 42 1.295 6.179 -7.740 1.00 33.32 C ATOM 617 O VAL A 42 0.261 5.694 -8.198 1.00 24.41 O ATOM 618 CB VAL A 42 1.537 8.646 -8.033 1.00 11.43 C ATOM 619 CG1 VAL A 42 2.848 8.409 -8.765 1.00 61.10 C ATOM 620 CG2 VAL A 42 0.380 8.756 -9.015 1.00 40.24 C ATOM 0 H VAL A 42 2.969 8.261 -6.029 1.00 74.02 H new ATOM 0 HA VAL A 42 0.293 7.670 -6.564 1.00 55.33 H new ATOM 0 HB VAL A 42 1.617 9.590 -7.493 1.00 11.43 H new ATOM 0 HG11 VAL A 42 3.016 9.215 -9.480 1.00 61.10 H new ATOM 0 HG12 VAL A 42 3.667 8.385 -8.046 1.00 61.10 H new ATOM 0 HG13 VAL A 42 2.802 7.458 -9.295 1.00 61.10 H new ATOM 0 HG21 VAL A 42 0.582 9.556 -9.727 1.00 40.24 H new ATOM 0 HG22 VAL A 42 0.267 7.814 -9.551 1.00 40.24 H new ATOM 0 HG23 VAL A 42 -0.539 8.977 -8.472 1.00 40.24 H new ATOM 630 N GLU A 43 2.481 5.585 -7.839 1.00 14.52 N ATOM 631 CA GLU A 43 2.637 4.300 -8.509 1.00 53.01 C ATOM 632 C GLU A 43 2.113 3.164 -7.635 1.00 10.11 C ATOM 633 O GLU A 43 1.661 2.135 -8.141 1.00 20.41 O ATOM 634 CB GLU A 43 4.107 4.055 -8.856 1.00 54.33 C ATOM 635 CG GLU A 43 4.348 3.787 -10.332 1.00 31.23 C ATOM 636 CD GLU A 43 4.989 4.965 -11.041 1.00 54.23 C ATOM 637 OE1 GLU A 43 4.843 6.104 -10.550 1.00 62.33 O ATOM 638 OE2 GLU A 43 5.636 4.746 -12.086 1.00 44.32 O ATOM 0 H GLU A 43 3.346 5.973 -7.464 1.00 14.52 H new ATOM 0 HA GLU A 43 2.054 4.326 -9.430 1.00 53.01 H new ATOM 0 HB2 GLU A 43 4.693 4.923 -8.553 1.00 54.33 H new ATOM 0 HB3 GLU A 43 4.472 3.206 -8.277 1.00 54.33 H new ATOM 0 HG2 GLU A 43 4.988 2.911 -10.439 1.00 31.23 H new ATOM 0 HG3 GLU A 43 3.400 3.550 -10.814 1.00 31.23 H new ATOM 645 N ILE A 44 2.176 3.358 -6.322 1.00 43.23 N ATOM 646 CA ILE A 44 1.707 2.350 -5.378 1.00 4.11 C ATOM 647 C ILE A 44 0.185 2.254 -5.387 1.00 24.22 C ATOM 648 O ILE A 44 -0.378 1.175 -5.572 1.00 62.21 O ATOM 649 CB ILE A 44 2.183 2.657 -3.946 1.00 12.32 C ATOM 650 CG1 ILE A 44 3.681 2.969 -3.938 1.00 51.43 C ATOM 651 CG2 ILE A 44 1.875 1.487 -3.024 1.00 15.23 C ATOM 652 CD1 ILE A 44 4.511 1.963 -4.704 1.00 61.21 C ATOM 0 H ILE A 44 2.547 4.203 -5.888 1.00 43.23 H new ATOM 0 HA ILE A 44 2.130 1.397 -5.697 1.00 4.11 H new ATOM 0 HB ILE A 44 1.647 3.533 -3.581 1.00 12.32 H new ATOM 0 HG12 ILE A 44 3.840 3.959 -4.365 1.00 51.43 H new ATOM 0 HG13 ILE A 44 4.031 3.006 -2.906 1.00 51.43 H new ATOM 0 HG21 ILE A 44 2.217 1.719 -2.015 1.00 15.23 H new ATOM 0 HG22 ILE A 44 0.800 1.308 -3.010 1.00 15.23 H new ATOM 0 HG23 ILE A 44 2.387 0.595 -3.385 1.00 15.23 H new ATOM 0 HD11 ILE A 44 5.562 2.247 -4.656 1.00 61.21 H new ATOM 0 HD12 ILE A 44 4.382 0.974 -4.264 1.00 61.21 H new ATOM 0 HD13 ILE A 44 4.188 1.942 -5.745 1.00 61.21 H new ATOM 664 N VAL A 45 -0.475 3.390 -5.189 1.00 73.12 N ATOM 665 CA VAL A 45 -1.933 3.435 -5.177 1.00 30.33 C ATOM 666 C VAL A 45 -2.506 3.036 -6.532 1.00 73.43 C ATOM 667 O VAL A 45 -3.573 2.429 -6.611 1.00 12.44 O ATOM 668 CB VAL A 45 -2.448 4.839 -4.807 1.00 32.11 C ATOM 669 CG1 VAL A 45 -1.990 5.863 -5.833 1.00 1.21 C ATOM 670 CG2 VAL A 45 -3.964 4.834 -4.685 1.00 2.00 C ATOM 0 H VAL A 45 -0.024 4.292 -5.035 1.00 73.12 H new ATOM 0 HA VAL A 45 -2.266 2.723 -4.421 1.00 30.33 H new ATOM 0 HB VAL A 45 -2.030 5.118 -3.840 1.00 32.11 H new ATOM 0 HG11 VAL A 45 -2.363 6.849 -5.555 1.00 1.21 H new ATOM 0 HG12 VAL A 45 -0.901 5.883 -5.865 1.00 1.21 H new ATOM 0 HG13 VAL A 45 -2.377 5.592 -6.815 1.00 1.21 H new ATOM 0 HG21 VAL A 45 -4.311 5.833 -4.423 1.00 2.00 H new ATOM 0 HG22 VAL A 45 -4.405 4.534 -5.636 1.00 2.00 H new ATOM 0 HG23 VAL A 45 -4.264 4.131 -3.908 1.00 2.00 H new ATOM 680 N MET A 46 -1.788 3.381 -7.596 1.00 61.15 N ATOM 681 CA MET A 46 -2.225 3.056 -8.949 1.00 23.25 C ATOM 682 C MET A 46 -2.328 1.547 -9.140 1.00 41.02 C ATOM 683 O MET A 46 -3.313 1.046 -9.683 1.00 22.12 O ATOM 684 CB MET A 46 -1.256 3.647 -9.976 1.00 54.21 C ATOM 685 CG MET A 46 -1.533 3.197 -11.402 1.00 54.11 C ATOM 686 SD MET A 46 -1.232 4.499 -12.611 1.00 4.42 S ATOM 687 CE MET A 46 0.344 5.132 -12.043 1.00 13.44 C ATOM 0 H MET A 46 -0.902 3.885 -7.548 1.00 61.15 H new ATOM 0 HA MET A 46 -3.213 3.491 -9.099 1.00 23.25 H new ATOM 0 HB2 MET A 46 -1.310 4.735 -9.930 1.00 54.21 H new ATOM 0 HB3 MET A 46 -0.238 3.366 -9.706 1.00 54.21 H new ATOM 0 HG2 MET A 46 -0.905 2.337 -11.636 1.00 54.11 H new ATOM 0 HG3 MET A 46 -2.569 2.866 -11.480 1.00 54.11 H new ATOM 0 HE1 MET A 46 0.893 5.550 -12.886 1.00 13.44 H new ATOM 0 HE2 MET A 46 0.177 5.909 -11.298 1.00 13.44 H new ATOM 0 HE3 MET A 46 0.923 4.322 -11.599 1.00 13.44 H new ATOM 697 N ASN A 47 -1.306 0.826 -8.691 1.00 35.00 N ATOM 698 CA ASN A 47 -1.282 -0.627 -8.813 1.00 62.21 C ATOM 699 C ASN A 47 -2.307 -1.268 -7.882 1.00 62.12 C ATOM 700 O ASN A 47 -3.002 -2.211 -8.262 1.00 13.54 O ATOM 701 CB ASN A 47 0.116 -1.163 -8.497 1.00 60.22 C ATOM 702 CG ASN A 47 0.985 -1.275 -9.735 1.00 51.22 C ATOM 703 OD1 ASN A 47 0.972 -0.237 -10.563 1.00 3.53 O flip ATOM 704 ND2 ASN A 47 1.660 -2.283 -9.944 1.00 23.23 N flip ATOM 0 H ASN A 47 -0.483 1.225 -8.239 1.00 35.00 H new ATOM 0 HA ASN A 47 -1.539 -0.885 -9.840 1.00 62.21 H new ATOM 0 HB2 ASN A 47 0.600 -0.505 -7.775 1.00 60.22 H new ATOM 0 HB3 ASN A 47 0.029 -2.143 -8.027 1.00 60.22 H new ATOM 0 HD21 ASN A 47 1.639 -3.057 -9.280 1.00 23.23 H new ATOM 0 HD22 ASN A 47 2.240 -2.344 -10.781 1.00 23.23 H new ATOM 711 N LEU A 48 -2.395 -0.750 -6.661 1.00 50.14 N ATOM 712 CA LEU A 48 -3.335 -1.271 -5.676 1.00 70.21 C ATOM 713 C LEU A 48 -4.775 -1.088 -6.146 1.00 64.44 C ATOM 714 O LEU A 48 -5.587 -2.008 -6.057 1.00 15.02 O ATOM 715 CB LEU A 48 -3.134 -0.571 -4.330 1.00 44.21 C ATOM 716 CG LEU A 48 -1.790 -0.815 -3.642 1.00 34.43 C ATOM 717 CD1 LEU A 48 -1.515 0.268 -2.611 1.00 33.32 C ATOM 718 CD2 LEU A 48 -1.766 -2.192 -2.991 1.00 2.53 C ATOM 0 H LEU A 48 -1.827 0.030 -6.330 1.00 50.14 H new ATOM 0 HA LEU A 48 -3.144 -2.337 -5.557 1.00 70.21 H new ATOM 0 HB2 LEU A 48 -3.254 0.502 -4.479 1.00 44.21 H new ATOM 0 HB3 LEU A 48 -3.928 -0.889 -3.655 1.00 44.21 H new ATOM 0 HG LEU A 48 -1.005 -0.778 -4.397 1.00 34.43 H new ATOM 0 HD11 LEU A 48 -0.555 0.078 -2.131 1.00 33.32 H new ATOM 0 HD12 LEU A 48 -1.489 1.240 -3.103 1.00 33.32 H new ATOM 0 HD13 LEU A 48 -2.304 0.263 -1.859 1.00 33.32 H new ATOM 0 HD21 LEU A 48 -0.802 -2.349 -2.506 1.00 2.53 H new ATOM 0 HD22 LEU A 48 -2.561 -2.257 -2.248 1.00 2.53 H new ATOM 0 HD23 LEU A 48 -1.918 -2.957 -3.752 1.00 2.53 H new ATOM 730 N GLU A 49 -5.081 0.104 -6.648 1.00 4.10 N ATOM 731 CA GLU A 49 -6.422 0.406 -7.134 1.00 41.32 C ATOM 732 C GLU A 49 -6.861 -0.611 -8.185 1.00 14.23 C ATOM 733 O GLU A 49 -8.022 -1.018 -8.221 1.00 34.01 O ATOM 734 CB GLU A 49 -6.470 1.817 -7.723 1.00 61.22 C ATOM 735 CG GLU A 49 -6.530 2.914 -6.673 1.00 73.44 C ATOM 736 CD GLU A 49 -6.181 4.279 -7.233 1.00 52.45 C ATOM 737 OE1 GLU A 49 -4.976 4.564 -7.393 1.00 74.12 O ATOM 738 OE2 GLU A 49 -7.113 5.061 -7.511 1.00 71.01 O ATOM 0 H GLU A 49 -4.419 0.876 -6.729 1.00 4.10 H new ATOM 0 HA GLU A 49 -7.108 0.350 -6.289 1.00 41.32 H new ATOM 0 HB2 GLU A 49 -5.590 1.971 -8.347 1.00 61.22 H new ATOM 0 HB3 GLU A 49 -7.341 1.901 -8.374 1.00 61.22 H new ATOM 0 HG2 GLU A 49 -7.532 2.947 -6.244 1.00 73.44 H new ATOM 0 HG3 GLU A 49 -5.844 2.672 -5.861 1.00 73.44 H new ATOM 745 N GLU A 50 -5.925 -1.014 -9.038 1.00 52.52 N ATOM 746 CA GLU A 50 -6.216 -1.980 -10.090 1.00 75.22 C ATOM 747 C GLU A 50 -6.342 -3.389 -9.516 1.00 32.34 C ATOM 748 O GLU A 50 -7.057 -4.230 -10.058 1.00 11.20 O ATOM 749 CB GLU A 50 -5.123 -1.950 -11.159 1.00 23.51 C ATOM 750 CG GLU A 50 -5.439 -2.799 -12.378 1.00 43.20 C ATOM 751 CD GLU A 50 -4.440 -2.602 -13.502 1.00 0.14 C ATOM 752 OE1 GLU A 50 -3.230 -2.792 -13.259 1.00 23.52 O ATOM 753 OE2 GLU A 50 -4.868 -2.257 -14.623 1.00 22.00 O ATOM 0 H GLU A 50 -4.959 -0.687 -9.021 1.00 52.52 H new ATOM 0 HA GLU A 50 -7.167 -1.705 -10.546 1.00 75.22 H new ATOM 0 HB2 GLU A 50 -4.965 -0.919 -11.476 1.00 23.51 H new ATOM 0 HB3 GLU A 50 -4.187 -2.295 -10.719 1.00 23.51 H new ATOM 0 HG2 GLU A 50 -5.453 -3.850 -12.090 1.00 43.20 H new ATOM 0 HG3 GLU A 50 -6.438 -2.553 -12.738 1.00 43.20 H new ATOM 760 N GLU A 51 -5.638 -3.636 -8.415 1.00 75.13 N ATOM 761 CA GLU A 51 -5.670 -4.943 -7.767 1.00 44.33 C ATOM 762 C GLU A 51 -6.994 -5.159 -7.041 1.00 52.52 C ATOM 763 O GLU A 51 -7.665 -6.174 -7.237 1.00 21.31 O ATOM 764 CB GLU A 51 -4.507 -5.076 -6.781 1.00 51.21 C ATOM 765 CG GLU A 51 -4.385 -6.461 -6.169 1.00 34.11 C ATOM 766 CD GLU A 51 -4.076 -7.530 -7.200 1.00 54.31 C ATOM 767 OE1 GLU A 51 -3.358 -7.223 -8.174 1.00 51.11 O ATOM 768 OE2 GLU A 51 -4.552 -8.672 -7.032 1.00 52.01 O ATOM 0 H GLU A 51 -5.040 -2.950 -7.954 1.00 75.13 H new ATOM 0 HA GLU A 51 -5.572 -5.705 -8.540 1.00 44.33 H new ATOM 0 HB2 GLU A 51 -3.577 -4.831 -7.294 1.00 51.21 H new ATOM 0 HB3 GLU A 51 -4.633 -4.345 -5.983 1.00 51.21 H new ATOM 0 HG2 GLU A 51 -3.599 -6.452 -5.414 1.00 34.11 H new ATOM 0 HG3 GLU A 51 -5.315 -6.712 -5.659 1.00 34.11 H new ATOM 775 N PHE A 52 -7.366 -4.198 -6.202 1.00 50.21 N ATOM 776 CA PHE A 52 -8.609 -4.283 -5.445 1.00 42.51 C ATOM 777 C PHE A 52 -9.747 -3.586 -6.187 1.00 3.24 C ATOM 778 O PHE A 52 -10.831 -3.390 -5.640 1.00 62.25 O ATOM 779 CB PHE A 52 -8.432 -3.660 -4.059 1.00 24.42 C ATOM 780 CG PHE A 52 -7.308 -4.267 -3.269 1.00 11.45 C ATOM 781 CD1 PHE A 52 -7.525 -5.380 -2.475 1.00 71.45 C ATOM 782 CD2 PHE A 52 -6.035 -3.722 -3.319 1.00 23.10 C ATOM 783 CE1 PHE A 52 -6.493 -5.942 -1.746 1.00 72.33 C ATOM 784 CE2 PHE A 52 -4.999 -4.279 -2.594 1.00 35.41 C ATOM 785 CZ PHE A 52 -5.229 -5.389 -1.805 1.00 63.04 C ATOM 0 H PHE A 52 -6.824 -3.351 -6.029 1.00 50.21 H new ATOM 0 HA PHE A 52 -8.864 -5.337 -5.332 1.00 42.51 H new ATOM 0 HB2 PHE A 52 -8.252 -2.591 -4.170 1.00 24.42 H new ATOM 0 HB3 PHE A 52 -9.360 -3.770 -3.499 1.00 24.42 H new ATOM 0 HD1 PHE A 52 -8.512 -5.815 -2.424 1.00 71.45 H new ATOM 0 HD2 PHE A 52 -5.850 -2.852 -3.932 1.00 23.10 H new ATOM 0 HE1 PHE A 52 -6.675 -6.812 -1.132 1.00 72.33 H new ATOM 0 HE2 PHE A 52 -4.010 -3.847 -2.644 1.00 35.41 H new ATOM 0 HZ PHE A 52 -4.421 -5.824 -1.235 1.00 63.04 H new ATOM 795 N GLY A 53 -9.488 -3.212 -7.436 1.00 42.21 N ATOM 796 CA GLY A 53 -10.498 -2.540 -8.233 1.00 64.11 C ATOM 797 C GLY A 53 -11.095 -1.342 -7.522 1.00 70.13 C ATOM 798 O GLY A 53 -12.246 -0.978 -7.764 1.00 43.33 O ATOM 0 H GLY A 53 -8.597 -3.362 -7.910 1.00 42.21 H new ATOM 0 HA2 GLY A 53 -10.057 -2.216 -9.176 1.00 64.11 H new ATOM 0 HA3 GLY A 53 -11.292 -3.246 -8.478 1.00 64.11 H new ATOM 802 N ILE A 54 -10.312 -0.728 -6.641 1.00 73.01 N ATOM 803 CA ILE A 54 -10.772 0.435 -5.892 1.00 64.41 C ATOM 804 C ILE A 54 -10.250 1.728 -6.512 1.00 55.35 C ATOM 805 O ILE A 54 -9.589 1.708 -7.548 1.00 10.03 O ATOM 806 CB ILE A 54 -10.325 0.369 -4.419 1.00 41.14 C ATOM 807 CG1 ILE A 54 -8.799 0.332 -4.327 1.00 43.04 C ATOM 808 CG2 ILE A 54 -10.932 -0.849 -3.738 1.00 75.41 C ATOM 809 CD1 ILE A 54 -8.272 0.563 -2.928 1.00 62.23 C ATOM 0 H ILE A 54 -9.357 -1.016 -6.429 1.00 73.01 H new ATOM 0 HA ILE A 54 -11.861 0.427 -5.933 1.00 64.41 H new ATOM 0 HB ILE A 54 -10.678 1.263 -3.906 1.00 41.14 H new ATOM 0 HG12 ILE A 54 -8.445 -0.635 -4.685 1.00 43.04 H new ATOM 0 HG13 ILE A 54 -8.385 1.089 -4.992 1.00 43.04 H new ATOM 0 HG21 ILE A 54 -10.608 -0.883 -2.698 1.00 75.41 H new ATOM 0 HG22 ILE A 54 -12.019 -0.784 -3.777 1.00 75.41 H new ATOM 0 HG23 ILE A 54 -10.604 -1.753 -4.250 1.00 75.41 H new ATOM 0 HD11 ILE A 54 -7.183 0.523 -2.938 1.00 62.23 H new ATOM 0 HD12 ILE A 54 -8.596 1.542 -2.574 1.00 62.23 H new ATOM 0 HD13 ILE A 54 -8.657 -0.209 -2.262 1.00 62.23 H new ATOM 821 N ASN A 55 -10.554 2.850 -5.867 1.00 72.41 N ATOM 822 CA ASN A 55 -10.116 4.153 -6.354 1.00 40.04 C ATOM 823 C ASN A 55 -9.779 5.082 -5.192 1.00 15.43 C ATOM 824 O ASN A 55 -10.580 5.261 -4.274 1.00 54.20 O ATOM 825 CB ASN A 55 -11.199 4.784 -7.230 1.00 52.30 C ATOM 826 CG ASN A 55 -12.456 5.113 -6.448 1.00 40.34 C ATOM 827 OD1 ASN A 55 -12.767 6.281 -6.214 1.00 51.01 O ATOM 828 ND2 ASN A 55 -13.186 4.081 -6.040 1.00 12.32 N ATOM 0 H ASN A 55 -11.101 2.883 -5.007 1.00 72.41 H new ATOM 0 HA ASN A 55 -9.216 4.007 -6.951 1.00 40.04 H new ATOM 0 HB2 ASN A 55 -10.809 5.694 -7.686 1.00 52.30 H new ATOM 0 HB3 ASN A 55 -11.448 4.102 -8.043 1.00 52.30 H new ATOM 0 HD21 ASN A 55 -14.043 4.240 -5.510 1.00 12.32 H new ATOM 0 HD22 ASN A 55 -12.890 3.129 -6.257 1.00 12.32 H new ATOM 835 N VAL A 56 -8.591 5.675 -5.239 1.00 60.31 N ATOM 836 CA VAL A 56 -8.148 6.587 -4.192 1.00 2.33 C ATOM 837 C VAL A 56 -7.405 7.782 -4.781 1.00 62.14 C ATOM 838 O VAL A 56 -6.751 7.668 -5.818 1.00 12.04 O ATOM 839 CB VAL A 56 -7.233 5.877 -3.178 1.00 34.44 C ATOM 840 CG1 VAL A 56 -6.914 6.798 -2.009 1.00 51.33 C ATOM 841 CG2 VAL A 56 -7.878 4.588 -2.690 1.00 14.15 C ATOM 0 H VAL A 56 -7.917 5.540 -5.992 1.00 60.31 H new ATOM 0 HA VAL A 56 -9.044 6.937 -3.679 1.00 2.33 H new ATOM 0 HB VAL A 56 -6.297 5.623 -3.676 1.00 34.44 H new ATOM 0 HG11 VAL A 56 -6.266 6.279 -1.303 1.00 51.33 H new ATOM 0 HG12 VAL A 56 -6.408 7.691 -2.377 1.00 51.33 H new ATOM 0 HG13 VAL A 56 -7.839 7.085 -1.509 1.00 51.33 H new ATOM 0 HG21 VAL A 56 -7.218 4.099 -1.974 1.00 14.15 H new ATOM 0 HG22 VAL A 56 -8.829 4.816 -2.209 1.00 14.15 H new ATOM 0 HG23 VAL A 56 -8.050 3.924 -3.537 1.00 14.15 H new ATOM 851 N ASP A 57 -7.511 8.925 -4.114 1.00 21.22 N ATOM 852 CA ASP A 57 -6.847 10.141 -4.570 1.00 73.02 C ATOM 853 C ASP A 57 -5.558 10.381 -3.791 1.00 13.22 C ATOM 854 O ASP A 57 -5.425 9.951 -2.645 1.00 11.21 O ATOM 855 CB ASP A 57 -7.780 11.343 -4.421 1.00 32.55 C ATOM 856 CG ASP A 57 -8.442 11.396 -3.058 1.00 12.24 C ATOM 857 OD1 ASP A 57 -9.487 10.737 -2.879 1.00 72.24 O ATOM 858 OD2 ASP A 57 -7.914 12.098 -2.169 1.00 2.52 O ATOM 0 H ASP A 57 -8.050 9.036 -3.255 1.00 21.22 H new ATOM 0 HA ASP A 57 -6.595 10.015 -5.623 1.00 73.02 H new ATOM 0 HB2 ASP A 57 -7.214 12.261 -4.583 1.00 32.55 H new ATOM 0 HB3 ASP A 57 -8.548 11.301 -5.193 1.00 32.55 H new ATOM 863 N GLU A 58 -4.611 11.070 -4.421 1.00 15.34 N ATOM 864 CA GLU A 58 -3.332 11.366 -3.785 1.00 52.04 C ATOM 865 C GLU A 58 -3.537 12.105 -2.465 1.00 44.44 C ATOM 866 O GLU A 58 -2.918 11.775 -1.455 1.00 33.10 O ATOM 867 CB GLU A 58 -2.455 12.203 -4.719 1.00 45.25 C ATOM 868 CG GLU A 58 -1.076 12.499 -4.155 1.00 2.44 C ATOM 869 CD GLU A 58 -0.172 11.283 -4.154 1.00 34.11 C ATOM 870 OE1 GLU A 58 -0.621 10.209 -4.606 1.00 74.21 O ATOM 871 OE2 GLU A 58 0.985 11.405 -3.700 1.00 61.34 O ATOM 0 H GLU A 58 -4.705 11.433 -5.370 1.00 15.34 H new ATOM 0 HA GLU A 58 -2.832 10.420 -3.578 1.00 52.04 H new ATOM 0 HB2 GLU A 58 -2.345 11.678 -5.668 1.00 45.25 H new ATOM 0 HB3 GLU A 58 -2.961 13.145 -4.932 1.00 45.25 H new ATOM 0 HG2 GLU A 58 -0.611 13.292 -4.741 1.00 2.44 H new ATOM 0 HG3 GLU A 58 -1.177 12.873 -3.136 1.00 2.44 H new ATOM 878 N ASP A 59 -4.411 13.105 -2.485 1.00 14.34 N ATOM 879 CA ASP A 59 -4.699 13.891 -1.290 1.00 4.51 C ATOM 880 C ASP A 59 -5.128 12.990 -0.137 1.00 53.10 C ATOM 881 O ASP A 59 -4.899 13.305 1.031 1.00 23.52 O ATOM 882 CB ASP A 59 -5.792 14.921 -1.583 1.00 22.31 C ATOM 883 CG ASP A 59 -5.489 15.752 -2.815 1.00 12.01 C ATOM 884 OD1 ASP A 59 -5.670 15.236 -3.938 1.00 71.54 O ATOM 885 OD2 ASP A 59 -5.074 16.918 -2.655 1.00 45.32 O ATOM 0 H ASP A 59 -4.932 13.391 -3.314 1.00 14.34 H new ATOM 0 HA ASP A 59 -3.787 14.412 -0.999 1.00 4.51 H new ATOM 0 HB2 ASP A 59 -6.744 14.408 -1.720 1.00 22.31 H new ATOM 0 HB3 ASP A 59 -5.906 15.580 -0.723 1.00 22.31 H new ATOM 890 N LYS A 60 -5.754 11.866 -0.472 1.00 21.50 N ATOM 891 CA LYS A 60 -6.215 10.918 0.534 1.00 61.04 C ATOM 892 C LYS A 60 -5.064 10.050 1.033 1.00 40.34 C ATOM 893 O LYS A 60 -5.097 9.544 2.154 1.00 45.01 O ATOM 894 CB LYS A 60 -7.323 10.033 -0.040 1.00 52.23 C ATOM 895 CG LYS A 60 -8.720 10.591 0.173 1.00 54.23 C ATOM 896 CD LYS A 60 -9.311 10.126 1.493 1.00 73.30 C ATOM 897 CE LYS A 60 -10.520 10.960 1.887 1.00 34.15 C ATOM 898 NZ LYS A 60 -10.134 12.157 2.685 1.00 73.14 N ATOM 0 H LYS A 60 -5.953 11.590 -1.434 1.00 21.50 H new ATOM 0 HA LYS A 60 -6.611 11.485 1.377 1.00 61.04 H new ATOM 0 HB2 LYS A 60 -7.153 9.900 -1.108 1.00 52.23 H new ATOM 0 HB3 LYS A 60 -7.262 9.046 0.418 1.00 52.23 H new ATOM 0 HG2 LYS A 60 -8.685 11.680 0.153 1.00 54.23 H new ATOM 0 HG3 LYS A 60 -9.367 10.278 -0.647 1.00 54.23 H new ATOM 0 HD2 LYS A 60 -9.601 9.078 1.414 1.00 73.30 H new ATOM 0 HD3 LYS A 60 -8.554 10.189 2.274 1.00 73.30 H new ATOM 0 HE2 LYS A 60 -11.050 11.278 0.989 1.00 34.15 H new ATOM 0 HE3 LYS A 60 -11.211 10.346 2.465 1.00 34.15 H new ATOM 0 HZ1 LYS A 60 -10.987 12.698 2.933 1.00 73.14 H new ATOM 0 HZ2 LYS A 60 -9.651 11.853 3.555 1.00 73.14 H new ATOM 0 HZ3 LYS A 60 -9.494 12.756 2.125 1.00 73.14 H new ATOM 912 N ALA A 61 -4.048 9.883 0.193 1.00 51.32 N ATOM 913 CA ALA A 61 -2.886 9.079 0.550 1.00 24.40 C ATOM 914 C ALA A 61 -1.758 9.954 1.087 1.00 62.31 C ATOM 915 O ALA A 61 -0.581 9.637 0.917 1.00 62.12 O ATOM 916 CB ALA A 61 -2.408 8.278 -0.653 1.00 32.11 C ATOM 0 H ALA A 61 -4.006 10.294 -0.740 1.00 51.32 H new ATOM 0 HA ALA A 61 -3.182 8.387 1.339 1.00 24.40 H new ATOM 0 HB1 ALA A 61 -1.540 7.682 -0.372 1.00 32.11 H new ATOM 0 HB2 ALA A 61 -3.207 7.618 -0.991 1.00 32.11 H new ATOM 0 HB3 ALA A 61 -2.135 8.959 -1.459 1.00 32.11 H new ATOM 922 N GLN A 62 -2.125 11.054 1.735 1.00 10.54 N ATOM 923 CA GLN A 62 -1.143 11.975 2.295 1.00 34.24 C ATOM 924 C GLN A 62 -0.676 11.503 3.668 1.00 70.21 C ATOM 925 O GLN A 62 0.518 11.306 3.894 1.00 25.42 O ATOM 926 CB GLN A 62 -1.734 13.382 2.401 1.00 1.12 C ATOM 927 CG GLN A 62 -1.906 14.072 1.058 1.00 44.12 C ATOM 928 CD GLN A 62 -0.589 14.541 0.469 1.00 33.21 C ATOM 929 OE1 GLN A 62 0.145 15.307 1.095 1.00 72.30 O ATOM 930 NE2 GLN A 62 -0.283 14.083 -0.739 1.00 35.34 N ATOM 0 H GLN A 62 -3.095 11.330 1.885 1.00 10.54 H new ATOM 0 HA GLN A 62 -0.282 11.999 1.626 1.00 34.24 H new ATOM 0 HB2 GLN A 62 -2.703 13.324 2.897 1.00 1.12 H new ATOM 0 HB3 GLN A 62 -1.088 13.992 3.033 1.00 1.12 H new ATOM 0 HG2 GLN A 62 -2.388 13.386 0.361 1.00 44.12 H new ATOM 0 HG3 GLN A 62 -2.572 14.927 1.176 1.00 44.12 H new ATOM 0 HE21 GLN A 62 -0.921 13.450 -1.221 1.00 35.34 H new ATOM 0 HE22 GLN A 62 0.590 14.364 -1.185 1.00 35.34 H new ATOM 939 N ASP A 63 -1.624 11.322 4.581 1.00 3.31 N ATOM 940 CA ASP A 63 -1.309 10.872 5.931 1.00 15.42 C ATOM 941 C ASP A 63 -0.588 9.528 5.902 1.00 63.01 C ATOM 942 O ASP A 63 0.123 9.174 6.843 1.00 62.04 O ATOM 943 CB ASP A 63 -2.586 10.761 6.766 1.00 41.41 C ATOM 944 CG ASP A 63 -3.303 12.090 6.907 1.00 72.23 C ATOM 945 OD1 ASP A 63 -2.623 13.137 6.871 1.00 43.42 O ATOM 946 OD2 ASP A 63 -4.543 12.082 7.053 1.00 73.30 O ATOM 0 H ASP A 63 -2.617 11.480 4.410 1.00 3.31 H new ATOM 0 HA ASP A 63 -0.648 11.609 6.387 1.00 15.42 H new ATOM 0 HB2 ASP A 63 -3.257 10.037 6.304 1.00 41.41 H new ATOM 0 HB3 ASP A 63 -2.337 10.379 7.756 1.00 41.41 H new ATOM 951 N ILE A 64 -0.777 8.785 4.816 1.00 74.50 N ATOM 952 CA ILE A 64 -0.144 7.480 4.666 1.00 5.03 C ATOM 953 C ILE A 64 1.358 7.566 4.918 1.00 63.03 C ATOM 954 O ILE A 64 2.060 8.355 4.287 1.00 63.00 O ATOM 955 CB ILE A 64 -0.385 6.897 3.261 1.00 64.12 C ATOM 956 CG1 ILE A 64 -1.885 6.819 2.968 1.00 62.41 C ATOM 957 CG2 ILE A 64 0.257 5.523 3.141 1.00 10.41 C ATOM 958 CD1 ILE A 64 -2.643 5.935 3.933 1.00 15.32 C ATOM 0 H ILE A 64 -1.362 9.064 4.029 1.00 74.50 H new ATOM 0 HA ILE A 64 -0.597 6.821 5.407 1.00 5.03 H new ATOM 0 HB ILE A 64 0.075 7.557 2.525 1.00 64.12 H new ATOM 0 HG12 ILE A 64 -2.306 7.824 3.001 1.00 62.41 H new ATOM 0 HG13 ILE A 64 -2.030 6.445 1.954 1.00 62.41 H new ATOM 0 HG21 ILE A 64 0.078 5.124 2.143 1.00 10.41 H new ATOM 0 HG22 ILE A 64 1.330 5.607 3.311 1.00 10.41 H new ATOM 0 HG23 ILE A 64 -0.177 4.853 3.883 1.00 10.41 H new ATOM 0 HD11 ILE A 64 -3.700 5.926 3.665 1.00 15.32 H new ATOM 0 HD12 ILE A 64 -2.248 4.920 3.884 1.00 15.32 H new ATOM 0 HD13 ILE A 64 -2.528 6.320 4.946 1.00 15.32 H new ATOM 970 N SER A 65 1.844 6.746 5.845 1.00 50.12 N ATOM 971 CA SER A 65 3.262 6.729 6.182 1.00 25.30 C ATOM 972 C SER A 65 3.838 5.323 6.043 1.00 71.32 C ATOM 973 O SER A 65 4.892 5.127 5.439 1.00 64.31 O ATOM 974 CB SER A 65 3.475 7.241 7.609 1.00 4.51 C ATOM 975 OG SER A 65 4.820 7.637 7.813 1.00 60.33 O ATOM 0 H SER A 65 1.276 6.085 6.376 1.00 50.12 H new ATOM 0 HA SER A 65 3.783 7.386 5.486 1.00 25.30 H new ATOM 0 HB2 SER A 65 2.811 8.085 7.799 1.00 4.51 H new ATOM 0 HB3 SER A 65 3.210 6.460 8.322 1.00 4.51 H new ATOM 0 HG SER A 65 5.276 6.972 8.371 1.00 60.33 H new ATOM 981 N THR A 66 3.136 4.346 6.608 1.00 74.43 N ATOM 982 CA THR A 66 3.576 2.957 6.550 1.00 30.32 C ATOM 983 C THR A 66 2.615 2.110 5.725 1.00 40.54 C ATOM 984 O THR A 66 1.533 2.566 5.355 1.00 53.54 O ATOM 985 CB THR A 66 3.700 2.347 7.959 1.00 32.24 C ATOM 986 OG1 THR A 66 2.397 2.119 8.510 1.00 62.54 O ATOM 987 CG2 THR A 66 4.491 3.264 8.879 1.00 3.13 C ATOM 0 H THR A 66 2.260 4.491 7.111 1.00 74.43 H new ATOM 0 HA THR A 66 4.557 2.956 6.075 1.00 30.32 H new ATOM 0 HB THR A 66 4.230 1.399 7.875 1.00 32.24 H new ATOM 0 HG1 THR A 66 2.484 1.730 9.405 1.00 62.54 H new ATOM 0 HG21 THR A 66 4.565 2.812 9.868 1.00 3.13 H new ATOM 0 HG22 THR A 66 5.491 3.413 8.472 1.00 3.13 H new ATOM 0 HG23 THR A 66 3.984 4.226 8.957 1.00 3.13 H new ATOM 995 N ILE A 67 3.016 0.876 5.440 1.00 52.33 N ATOM 996 CA ILE A 67 2.188 -0.035 4.660 1.00 53.13 C ATOM 997 C ILE A 67 0.792 -0.160 5.260 1.00 12.40 C ATOM 998 O ILE A 67 -0.211 -0.044 4.554 1.00 31.45 O ATOM 999 CB ILE A 67 2.821 -1.436 4.570 1.00 21.33 C ATOM 1000 CG1 ILE A 67 4.241 -1.341 4.004 1.00 50.25 C ATOM 1001 CG2 ILE A 67 1.963 -2.352 3.711 1.00 41.04 C ATOM 1002 CD1 ILE A 67 4.300 -0.732 2.621 1.00 21.42 C ATOM 0 H ILE A 67 3.909 0.484 5.738 1.00 52.33 H new ATOM 0 HA ILE A 67 2.115 0.387 3.658 1.00 53.13 H new ATOM 0 HB ILE A 67 2.876 -1.859 5.573 1.00 21.33 H new ATOM 0 HG12 ILE A 67 4.854 -0.746 4.681 1.00 50.25 H new ATOM 0 HG13 ILE A 67 4.678 -2.339 3.972 1.00 50.25 H new ATOM 0 HG21 ILE A 67 2.424 -3.338 3.658 1.00 41.04 H new ATOM 0 HG22 ILE A 67 0.970 -2.439 4.152 1.00 41.04 H new ATOM 0 HG23 ILE A 67 1.879 -1.936 2.707 1.00 41.04 H new ATOM 0 HD11 ILE A 67 5.336 -0.696 2.283 1.00 21.42 H new ATOM 0 HD12 ILE A 67 3.714 -1.339 1.931 1.00 21.42 H new ATOM 0 HD13 ILE A 67 3.893 0.279 2.651 1.00 21.42 H new ATOM 1014 N GLN A 68 0.733 -0.395 6.567 1.00 24.24 N ATOM 1015 CA GLN A 68 -0.541 -0.533 7.262 1.00 41.25 C ATOM 1016 C GLN A 68 -1.457 0.648 6.961 1.00 24.31 C ATOM 1017 O GLN A 68 -2.640 0.470 6.672 1.00 24.04 O ATOM 1018 CB GLN A 68 -0.314 -0.646 8.770 1.00 72.55 C ATOM 1019 CG GLN A 68 -0.224 -2.080 9.266 1.00 61.34 C ATOM 1020 CD GLN A 68 -1.572 -2.645 9.666 1.00 42.52 C ATOM 1021 OE1 GLN A 68 -2.392 -2.980 8.675 1.00 14.10 O flip ATOM 1022 NE2 GLN A 68 -1.875 -2.779 10.851 1.00 34.22 N flip ATOM 0 H GLN A 68 1.553 -0.494 7.166 1.00 24.24 H new ATOM 0 HA GLN A 68 -1.023 -1.443 6.905 1.00 41.25 H new ATOM 0 HB2 GLN A 68 0.605 -0.122 9.031 1.00 72.55 H new ATOM 0 HB3 GLN A 68 -1.128 -0.141 9.290 1.00 72.55 H new ATOM 0 HG2 GLN A 68 0.210 -2.704 8.485 1.00 61.34 H new ATOM 0 HG3 GLN A 68 0.452 -2.123 10.120 1.00 61.34 H new ATOM 0 HE21 GLN A 68 -1.215 -2.509 11.580 1.00 34.22 H new ATOM 0 HE22 GLN A 68 -2.786 -3.160 11.104 1.00 34.22 H new ATOM 1031 N GLN A 69 -0.901 1.854 7.032 1.00 3.14 N ATOM 1032 CA GLN A 69 -1.669 3.066 6.768 1.00 75.13 C ATOM 1033 C GLN A 69 -2.377 2.977 5.420 1.00 1.25 C ATOM 1034 O GLN A 69 -3.542 3.355 5.294 1.00 70.31 O ATOM 1035 CB GLN A 69 -0.755 4.291 6.799 1.00 12.10 C ATOM 1036 CG GLN A 69 -0.090 4.520 8.147 1.00 43.35 C ATOM 1037 CD GLN A 69 -1.045 5.078 9.182 1.00 54.52 C ATOM 1038 OE1 GLN A 69 -2.218 5.322 8.894 1.00 3.23 O ATOM 1039 NE2 GLN A 69 -0.550 5.284 10.396 1.00 72.51 N ATOM 0 H GLN A 69 0.077 2.018 7.270 1.00 3.14 H new ATOM 0 HA GLN A 69 -2.424 3.166 7.548 1.00 75.13 H new ATOM 0 HB2 GLN A 69 0.016 4.178 6.037 1.00 12.10 H new ATOM 0 HB3 GLN A 69 -1.336 5.175 6.535 1.00 12.10 H new ATOM 0 HG2 GLN A 69 0.322 3.578 8.509 1.00 43.35 H new ATOM 0 HG3 GLN A 69 0.747 5.207 8.023 1.00 43.35 H new ATOM 0 HE21 GLN A 69 0.428 5.068 10.592 1.00 72.51 H new ATOM 0 HE22 GLN A 69 -1.147 5.658 11.133 1.00 72.51 H new ATOM 1048 N ALA A 70 -1.665 2.479 4.415 1.00 2.21 N ATOM 1049 CA ALA A 70 -2.226 2.341 3.076 1.00 21.42 C ATOM 1050 C ALA A 70 -3.215 1.183 3.012 1.00 72.51 C ATOM 1051 O ALA A 70 -4.154 1.200 2.216 1.00 35.11 O ATOM 1052 CB ALA A 70 -1.114 2.145 2.056 1.00 25.54 C ATOM 0 H ALA A 70 -0.699 2.164 4.502 1.00 2.21 H new ATOM 0 HA ALA A 70 -2.765 3.258 2.838 1.00 21.42 H new ATOM 0 HB1 ALA A 70 -1.547 2.043 1.061 1.00 25.54 H new ATOM 0 HB2 ALA A 70 -0.447 3.007 2.075 1.00 25.54 H new ATOM 0 HB3 ALA A 70 -0.551 1.244 2.300 1.00 25.54 H new ATOM 1058 N ALA A 71 -2.998 0.178 3.854 1.00 42.21 N ATOM 1059 CA ALA A 71 -3.871 -0.987 3.894 1.00 54.44 C ATOM 1060 C ALA A 71 -5.203 -0.653 4.558 1.00 44.14 C ATOM 1061 O ALA A 71 -6.252 -1.151 4.150 1.00 54.32 O ATOM 1062 CB ALA A 71 -3.189 -2.134 4.624 1.00 32.21 C ATOM 0 H ALA A 71 -2.224 0.148 4.518 1.00 42.21 H new ATOM 0 HA ALA A 71 -4.073 -1.293 2.868 1.00 54.44 H new ATOM 0 HB1 ALA A 71 -3.854 -2.998 4.646 1.00 32.21 H new ATOM 0 HB2 ALA A 71 -2.267 -2.398 4.106 1.00 32.21 H new ATOM 0 HB3 ALA A 71 -2.957 -1.829 5.644 1.00 32.21 H new ATOM 1068 N ASP A 72 -5.153 0.191 5.581 1.00 22.42 N ATOM 1069 CA ASP A 72 -6.356 0.593 6.302 1.00 65.42 C ATOM 1070 C ASP A 72 -7.312 1.348 5.383 1.00 34.33 C ATOM 1071 O ASP A 72 -8.531 1.216 5.495 1.00 34.52 O ATOM 1072 CB ASP A 72 -5.990 1.463 7.505 1.00 20.21 C ATOM 1073 CG ASP A 72 -7.082 1.487 8.556 1.00 62.41 C ATOM 1074 OD1 ASP A 72 -8.201 1.940 8.238 1.00 62.12 O ATOM 1075 OD2 ASP A 72 -6.817 1.052 9.696 1.00 14.42 O ATOM 0 H ASP A 72 -4.292 0.611 5.931 1.00 22.42 H new ATOM 0 HA ASP A 72 -6.856 -0.308 6.656 1.00 65.42 H new ATOM 0 HB2 ASP A 72 -5.068 1.091 7.952 1.00 20.21 H new ATOM 0 HB3 ASP A 72 -5.792 2.480 7.167 1.00 20.21 H new ATOM 1080 N VAL A 73 -6.750 2.142 4.477 1.00 10.54 N ATOM 1081 CA VAL A 73 -7.553 2.919 3.540 1.00 21.13 C ATOM 1082 C VAL A 73 -8.152 2.028 2.458 1.00 30.23 C ATOM 1083 O VAL A 73 -9.295 2.222 2.043 1.00 64.23 O ATOM 1084 CB VAL A 73 -6.718 4.029 2.873 1.00 42.35 C ATOM 1085 CG1 VAL A 73 -7.573 4.829 1.902 1.00 10.05 C ATOM 1086 CG2 VAL A 73 -6.099 4.936 3.924 1.00 20.01 C ATOM 0 H VAL A 73 -5.743 2.264 4.372 1.00 10.54 H new ATOM 0 HA VAL A 73 -8.358 3.376 4.116 1.00 21.13 H new ATOM 0 HB VAL A 73 -5.910 3.563 2.309 1.00 42.35 H new ATOM 0 HG11 VAL A 73 -6.967 5.608 1.440 1.00 10.05 H new ATOM 0 HG12 VAL A 73 -7.962 4.166 1.129 1.00 10.05 H new ATOM 0 HG13 VAL A 73 -8.403 5.286 2.440 1.00 10.05 H new ATOM 0 HG21 VAL A 73 -5.513 5.714 3.434 1.00 20.01 H new ATOM 0 HG22 VAL A 73 -6.889 5.396 4.518 1.00 20.01 H new ATOM 0 HG23 VAL A 73 -5.451 4.349 4.575 1.00 20.01 H new ATOM 1096 N ILE A 74 -7.374 1.050 2.007 1.00 22.43 N ATOM 1097 CA ILE A 74 -7.828 0.127 0.974 1.00 51.10 C ATOM 1098 C ILE A 74 -8.881 -0.832 1.520 1.00 65.25 C ATOM 1099 O ILE A 74 -9.990 -0.915 0.994 1.00 43.14 O ATOM 1100 CB ILE A 74 -6.659 -0.688 0.393 1.00 21.54 C ATOM 1101 CG1 ILE A 74 -5.609 0.246 -0.213 1.00 51.15 C ATOM 1102 CG2 ILE A 74 -7.165 -1.673 -0.649 1.00 41.32 C ATOM 1103 CD1 ILE A 74 -4.227 -0.364 -0.285 1.00 20.42 C ATOM 0 H ILE A 74 -6.426 0.876 2.341 1.00 22.43 H new ATOM 0 HA ILE A 74 -8.267 0.732 0.180 1.00 51.10 H new ATOM 0 HB ILE A 74 -6.193 -1.253 1.200 1.00 21.54 H new ATOM 0 HG12 ILE A 74 -5.924 0.531 -1.217 1.00 51.15 H new ATOM 0 HG13 ILE A 74 -5.563 1.160 0.378 1.00 51.15 H new ATOM 0 HG21 ILE A 74 -6.326 -2.241 -1.050 1.00 41.32 H new ATOM 0 HG22 ILE A 74 -7.879 -2.356 -0.188 1.00 41.32 H new ATOM 0 HG23 ILE A 74 -7.654 -1.129 -1.457 1.00 41.32 H new ATOM 0 HD11 ILE A 74 -3.535 0.354 -0.725 1.00 20.42 H new ATOM 0 HD12 ILE A 74 -3.891 -0.624 0.719 1.00 20.42 H new ATOM 0 HD13 ILE A 74 -4.258 -1.263 -0.901 1.00 20.42 H new ATOM 1115 N GLU A 75 -8.525 -1.554 2.578 1.00 42.45 N ATOM 1116 CA GLU A 75 -9.440 -2.507 3.194 1.00 62.02 C ATOM 1117 C GLU A 75 -10.779 -1.848 3.512 1.00 4.12 C ATOM 1118 O GLU A 75 -11.825 -2.495 3.481 1.00 73.23 O ATOM 1119 CB GLU A 75 -8.826 -3.083 4.472 1.00 40.45 C ATOM 1120 CG GLU A 75 -8.701 -2.070 5.598 1.00 62.14 C ATOM 1121 CD GLU A 75 -9.924 -2.039 6.493 1.00 34.31 C ATOM 1122 OE1 GLU A 75 -10.901 -2.756 6.191 1.00 21.13 O ATOM 1123 OE2 GLU A 75 -9.903 -1.298 7.499 1.00 43.34 O ATOM 0 H GLU A 75 -7.610 -1.497 3.026 1.00 42.45 H new ATOM 0 HA GLU A 75 -9.613 -3.317 2.485 1.00 62.02 H new ATOM 0 HB2 GLU A 75 -9.436 -3.919 4.813 1.00 40.45 H new ATOM 0 HB3 GLU A 75 -7.838 -3.482 4.242 1.00 40.45 H new ATOM 0 HG2 GLU A 75 -7.822 -2.306 6.198 1.00 62.14 H new ATOM 0 HG3 GLU A 75 -8.541 -1.079 5.174 1.00 62.14 H new ATOM 1130 N GLY A 76 -10.738 -0.554 3.819 1.00 72.35 N ATOM 1131 CA GLY A 76 -11.953 0.171 4.139 1.00 52.33 C ATOM 1132 C GLY A 76 -12.965 0.134 3.011 1.00 50.21 C ATOM 1133 O GLY A 76 -14.173 0.120 3.250 1.00 15.02 O ATOM 0 H GLY A 76 -9.885 0.004 3.852 1.00 72.35 H new ATOM 0 HA2 GLY A 76 -12.400 -0.254 5.038 1.00 52.33 H new ATOM 0 HA3 GLY A 76 -11.705 1.208 4.366 1.00 52.33 H new ATOM 1137 N LEU A 77 -12.473 0.120 1.777 1.00 61.24 N ATOM 1138 CA LEU A 77 -13.342 0.086 0.606 1.00 52.44 C ATOM 1139 C LEU A 77 -13.844 -1.330 0.341 1.00 35.51 C ATOM 1140 O LEU A 77 -15.002 -1.532 -0.026 1.00 44.42 O ATOM 1141 CB LEU A 77 -12.598 0.613 -0.621 1.00 41.22 C ATOM 1142 CG LEU A 77 -11.941 1.985 -0.470 1.00 11.02 C ATOM 1143 CD1 LEU A 77 -10.810 2.150 -1.473 1.00 63.33 C ATOM 1144 CD2 LEU A 77 -12.972 3.092 -0.640 1.00 21.01 C ATOM 0 H LEU A 77 -11.476 0.132 1.561 1.00 61.24 H new ATOM 0 HA LEU A 77 -14.202 0.726 0.804 1.00 52.44 H new ATOM 0 HB2 LEU A 77 -11.827 -0.109 -0.891 1.00 41.22 H new ATOM 0 HB3 LEU A 77 -13.299 0.658 -1.454 1.00 41.22 H new ATOM 0 HG LEU A 77 -11.522 2.056 0.534 1.00 11.02 H new ATOM 0 HD11 LEU A 77 -10.355 3.133 -1.350 1.00 63.33 H new ATOM 0 HD12 LEU A 77 -10.059 1.378 -1.304 1.00 63.33 H new ATOM 0 HD13 LEU A 77 -11.205 2.057 -2.485 1.00 63.33 H new ATOM 0 HD21 LEU A 77 -12.486 4.062 -0.529 1.00 21.01 H new ATOM 0 HD22 LEU A 77 -13.421 3.022 -1.631 1.00 21.01 H new ATOM 0 HD23 LEU A 77 -13.748 2.986 0.118 1.00 21.01 H new ATOM 1156 N LEU A 78 -12.966 -2.309 0.532 1.00 34.12 N ATOM 1157 CA LEU A 78 -13.320 -3.707 0.317 1.00 72.04 C ATOM 1158 C LEU A 78 -14.601 -4.066 1.064 1.00 74.44 C ATOM 1159 O LEU A 78 -15.491 -4.713 0.513 1.00 21.22 O ATOM 1160 CB LEU A 78 -12.179 -4.619 0.771 1.00 41.33 C ATOM 1161 CG LEU A 78 -11.079 -4.882 -0.259 1.00 51.33 C ATOM 1162 CD1 LEU A 78 -11.550 -5.890 -1.296 1.00 4.34 C ATOM 1163 CD2 LEU A 78 -10.654 -3.584 -0.929 1.00 10.22 C ATOM 0 H LEU A 78 -12.004 -2.160 0.835 1.00 34.12 H new ATOM 0 HA LEU A 78 -13.490 -3.852 -0.750 1.00 72.04 H new ATOM 0 HB2 LEU A 78 -11.721 -4.181 1.658 1.00 41.33 H new ATOM 0 HB3 LEU A 78 -12.604 -5.577 1.072 1.00 41.33 H new ATOM 0 HG LEU A 78 -10.215 -5.300 0.258 1.00 51.33 H new ATOM 0 HD11 LEU A 78 -10.755 -6.065 -2.021 1.00 4.34 H new ATOM 0 HD12 LEU A 78 -11.804 -6.828 -0.802 1.00 4.34 H new ATOM 0 HD13 LEU A 78 -12.429 -5.500 -1.809 1.00 4.34 H new ATOM 0 HD21 LEU A 78 -9.871 -3.791 -1.658 1.00 10.22 H new ATOM 0 HD22 LEU A 78 -11.511 -3.137 -1.433 1.00 10.22 H new ATOM 0 HD23 LEU A 78 -10.275 -2.893 -0.176 1.00 10.22 H new