USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 66:sc= 0.0147 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.15) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0372) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.558 USER MOD Single : A 94 THR OG1 : rot 75:sc= 1.09 USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 THR OG1 : rot 66:sc= 0.0135 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 66 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.15) USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.042) USER MOD Single : B 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 85 SER OG : rot 180:sc= -0.558 USER MOD Single : B 94 THR OG1 : rot 84:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 41 N ALA A 52 4.154 -33.914 -3.747 1.00 0.00 N ATOM 42 CA ALA A 52 3.692 -32.536 -3.885 1.00 0.00 C ATOM 43 C ALA A 52 3.106 -32.284 -5.270 1.00 0.00 C ATOM 44 O ALA A 52 3.710 -32.630 -6.285 1.00 0.00 O ATOM 45 CB ALA A 52 4.833 -31.570 -3.608 1.00 0.00 C ATOM 0 HA ALA A 52 2.901 -32.370 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.476 -30.546 -3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.201 -31.723 -2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.641 -31.748 -4.318 1.00 0.00 H new ATOM 51 N HIS A 53 1.924 -31.674 -5.301 1.00 0.00 N ATOM 52 CA HIS A 53 1.251 -31.368 -6.560 1.00 0.00 C ATOM 53 C HIS A 53 1.164 -29.859 -6.776 1.00 0.00 C ATOM 54 O HIS A 53 1.185 -29.382 -7.911 1.00 0.00 O ATOM 55 CB HIS A 53 -0.152 -31.980 -6.572 1.00 0.00 C ATOM 56 CG HIS A 53 -0.229 -33.284 -7.304 1.00 0.00 C ATOM 57 ND1 HIS A 53 0.220 -34.474 -6.772 1.00 0.00 N ATOM 58 CD2 HIS A 53 -0.710 -33.581 -8.535 1.00 0.00 C ATOM 59 CE1 HIS A 53 0.022 -35.446 -7.644 1.00 0.00 C ATOM 60 NE2 HIS A 53 -0.542 -34.931 -8.721 1.00 0.00 N ATOM 0 H HIS A 53 1.412 -31.382 -4.468 1.00 0.00 H new ATOM 0 HA HIS A 53 1.835 -31.800 -7.373 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.483 -32.129 -5.544 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.844 -31.274 -7.031 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.144 -32.886 -9.238 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.278 -36.485 -7.500 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.810 -35.452 -9.556 1.00 0.00 H new ATOM 69 N LEU A 54 1.066 -29.116 -5.679 1.00 0.00 N ATOM 70 CA LEU A 54 0.977 -27.662 -5.737 1.00 0.00 C ATOM 71 C LEU A 54 -0.309 -27.213 -6.432 1.00 0.00 C ATOM 72 O LEU A 54 -1.284 -26.864 -5.768 1.00 0.00 O ATOM 73 CB LEU A 54 2.199 -27.079 -6.455 1.00 0.00 C ATOM 74 CG LEU A 54 3.543 -27.382 -5.792 1.00 0.00 C ATOM 75 CD1 LEU A 54 4.650 -27.436 -6.833 1.00 0.00 C ATOM 76 CD2 LEU A 54 3.859 -26.342 -4.727 1.00 0.00 C ATOM 0 H LEU A 54 1.046 -29.500 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 54 0.957 -27.287 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.219 -27.462 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.080 -25.998 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 54 3.478 -28.357 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.600 -27.653 -6.344 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.429 -28.219 -7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.716 -26.475 -7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.819 -26.574 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.906 -25.354 -5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.079 -26.352 -3.966 1.00 0.00 H new ATOM 88 N THR A 55 -0.289 -27.229 -7.770 1.00 0.00 N ATOM 89 CA THR A 55 -1.433 -26.830 -8.604 1.00 0.00 C ATOM 90 C THR A 55 -2.599 -26.242 -7.796 1.00 0.00 C ATOM 91 O THR A 55 -2.662 -25.033 -7.578 1.00 0.00 O ATOM 92 CB THR A 55 -1.908 -28.022 -9.438 1.00 0.00 C ATOM 93 OG1 THR A 55 -0.875 -28.477 -10.294 1.00 0.00 O ATOM 94 CG2 THR A 55 -3.113 -27.715 -10.299 1.00 0.00 C ATOM 0 H THR A 55 0.526 -27.521 -8.310 1.00 0.00 H new ATOM 0 HA THR A 55 -1.084 -26.032 -9.260 1.00 0.00 H new ATOM 0 HB THR A 55 -2.189 -28.785 -8.712 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.138 -28.834 -9.756 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.394 -28.605 -10.862 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.945 -27.409 -9.665 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.870 -26.909 -10.992 1.00 0.00 H new ATOM 102 N GLU A 56 -3.528 -27.099 -7.369 1.00 0.00 N ATOM 103 CA GLU A 56 -4.696 -26.658 -6.604 1.00 0.00 C ATOM 104 C GLU A 56 -4.323 -25.657 -5.512 1.00 0.00 C ATOM 105 O GLU A 56 -4.657 -24.471 -5.597 1.00 0.00 O ATOM 106 CB GLU A 56 -5.419 -27.857 -5.982 1.00 0.00 C ATOM 107 CG GLU A 56 -4.494 -29.001 -5.595 1.00 0.00 C ATOM 108 CD GLU A 56 -4.753 -29.513 -4.191 1.00 0.00 C ATOM 109 OE1 GLU A 56 -5.139 -28.699 -3.325 1.00 0.00 O ATOM 110 OE2 GLU A 56 -4.568 -30.726 -3.957 1.00 0.00 O ATOM 0 H GLU A 56 -3.494 -28.104 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.363 -26.156 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.959 -27.524 -5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.163 -28.227 -6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.618 -29.819 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.459 -28.668 -5.671 1.00 0.00 H new ATOM 117 N VAL A 57 -3.636 -26.134 -4.481 1.00 0.00 N ATOM 118 CA VAL A 57 -3.235 -25.272 -3.373 1.00 0.00 C ATOM 119 C VAL A 57 -2.546 -24.002 -3.870 1.00 0.00 C ATOM 120 O VAL A 57 -2.575 -22.967 -3.198 1.00 0.00 O ATOM 121 CB VAL A 57 -2.307 -25.998 -2.380 1.00 0.00 C ATOM 122 CG1 VAL A 57 -2.217 -25.213 -1.079 1.00 0.00 C ATOM 123 CG2 VAL A 57 -2.793 -27.417 -2.121 1.00 0.00 C ATOM 0 H VAL A 57 -3.346 -27.107 -4.388 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.154 -25.000 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.311 -26.061 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.559 -25.735 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.817 -24.219 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.210 -25.122 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.122 -27.909 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.799 -27.386 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.807 -27.974 -3.058 1.00 0.00 H new ATOM 133 N GLU A 58 -1.954 -24.067 -5.065 1.00 0.00 N ATOM 134 CA GLU A 58 -1.301 -22.903 -5.631 1.00 0.00 C ATOM 135 C GLU A 58 -2.360 -21.867 -5.975 1.00 0.00 C ATOM 136 O GLU A 58 -2.243 -20.693 -5.626 1.00 0.00 O ATOM 137 CB GLU A 58 -0.447 -23.296 -6.847 1.00 0.00 C ATOM 138 CG GLU A 58 -1.061 -22.957 -8.190 1.00 0.00 C ATOM 139 CD GLU A 58 -0.731 -21.548 -8.647 1.00 0.00 C ATOM 140 OE1 GLU A 58 -0.365 -20.717 -7.790 1.00 0.00 O ATOM 141 OE2 GLU A 58 -0.840 -21.276 -9.861 1.00 0.00 O ATOM 0 H GLU A 58 -1.917 -24.904 -5.646 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.616 -22.466 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.520 -22.800 -6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.259 -24.369 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.708 -23.669 -8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.143 -23.070 -8.129 1.00 0.00 H new ATOM 148 N SER A 59 -3.429 -22.328 -6.599 1.00 0.00 N ATOM 149 CA SER A 59 -4.538 -21.452 -6.926 1.00 0.00 C ATOM 150 C SER A 59 -5.242 -21.048 -5.637 1.00 0.00 C ATOM 151 O SER A 59 -6.023 -20.100 -5.609 1.00 0.00 O ATOM 152 CB SER A 59 -5.518 -22.149 -7.871 1.00 0.00 C ATOM 153 OG SER A 59 -4.857 -22.640 -9.023 1.00 0.00 O ATOM 0 H SER A 59 -3.552 -23.298 -6.888 1.00 0.00 H new ATOM 0 HA SER A 59 -4.160 -20.564 -7.433 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.006 -22.973 -7.350 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.301 -21.451 -8.167 1.00 0.00 H new ATOM 0 HG SER A 59 -5.506 -23.082 -9.609 1.00 0.00 H new ATOM 159 N ARG A 60 -4.951 -21.789 -4.566 1.00 0.00 N ATOM 160 CA ARG A 60 -5.539 -21.531 -3.266 1.00 0.00 C ATOM 161 C ARG A 60 -4.948 -20.291 -2.626 1.00 0.00 C ATOM 162 O ARG A 60 -5.603 -19.246 -2.569 1.00 0.00 O ATOM 163 CB ARG A 60 -5.336 -22.734 -2.346 1.00 0.00 C ATOM 164 CG ARG A 60 -6.317 -22.785 -1.185 1.00 0.00 C ATOM 165 CD ARG A 60 -7.303 -23.933 -1.334 1.00 0.00 C ATOM 166 NE ARG A 60 -7.840 -24.023 -2.688 1.00 0.00 N ATOM 167 CZ ARG A 60 -8.686 -24.970 -3.090 1.00 0.00 C ATOM 168 NH1 ARG A 60 -9.093 -25.907 -2.242 1.00 0.00 N ATOM 169 NH2 ARG A 60 -9.126 -24.982 -4.341 1.00 0.00 N ATOM 0 H ARG A 60 -4.305 -22.578 -4.583 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.606 -21.362 -3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -5.431 -23.649 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.320 -22.712 -1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.769 -22.895 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.861 -21.843 -1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.809 -24.870 -1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.122 -23.801 -0.628 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.550 -23.319 -3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.758 -25.903 -1.279 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.741 -26.630 -2.554 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.817 -24.265 -4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.774 -25.708 -4.647 1.00 0.00 H new ATOM 183 N LEU A 61 -3.711 -20.388 -2.137 1.00 0.00 N ATOM 184 CA LEU A 61 -3.101 -19.230 -1.509 1.00 0.00 C ATOM 185 C LEU A 61 -2.968 -18.104 -2.516 1.00 0.00 C ATOM 186 O LEU A 61 -3.034 -16.925 -2.161 1.00 0.00 O ATOM 187 CB LEU A 61 -1.765 -19.587 -0.872 1.00 0.00 C ATOM 188 CG LEU A 61 -1.858 -19.854 0.631 1.00 0.00 C ATOM 189 CD1 LEU A 61 -2.238 -18.584 1.375 1.00 0.00 C ATOM 190 CD2 LEU A 61 -2.874 -20.953 0.909 1.00 0.00 C ATOM 0 H LEU A 61 -3.133 -21.228 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.749 -18.886 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.361 -20.471 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.060 -18.774 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.881 -20.183 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.300 -18.793 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.482 -17.819 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.205 -18.229 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.930 -21.133 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.853 -20.645 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.567 -21.868 0.403 1.00 0.00 H new ATOM 202 N GLU A 62 -2.841 -18.469 -3.788 1.00 0.00 N ATOM 203 CA GLU A 62 -2.771 -17.473 -4.842 1.00 0.00 C ATOM 204 C GLU A 62 -4.101 -16.735 -4.898 1.00 0.00 C ATOM 205 O GLU A 62 -4.145 -15.512 -5.062 1.00 0.00 O ATOM 206 CB GLU A 62 -2.462 -18.126 -6.188 1.00 0.00 C ATOM 207 CG GLU A 62 -2.380 -17.139 -7.342 1.00 0.00 C ATOM 208 CD GLU A 62 -1.162 -17.360 -8.216 1.00 0.00 C ATOM 209 OE1 GLU A 62 -1.162 -18.333 -8.999 1.00 0.00 O ATOM 210 OE2 GLU A 62 -0.207 -16.561 -8.117 1.00 0.00 O ATOM 0 H GLU A 62 -2.785 -19.436 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.966 -16.770 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.516 -18.663 -6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.232 -18.866 -6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.280 -17.224 -7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.358 -16.124 -6.946 1.00 0.00 H new ATOM 217 N ARG A 63 -5.193 -17.487 -4.713 1.00 0.00 N ATOM 218 CA ARG A 63 -6.520 -16.892 -4.697 1.00 0.00 C ATOM 219 C ARG A 63 -6.647 -15.995 -3.473 1.00 0.00 C ATOM 220 O ARG A 63 -7.383 -15.008 -3.480 1.00 0.00 O ATOM 221 CB ARG A 63 -7.600 -17.977 -4.676 1.00 0.00 C ATOM 222 CG ARG A 63 -9.016 -17.431 -4.580 1.00 0.00 C ATOM 223 CD ARG A 63 -9.930 -18.371 -3.811 1.00 0.00 C ATOM 224 NE ARG A 63 -10.625 -19.308 -4.693 1.00 0.00 N ATOM 225 CZ ARG A 63 -10.139 -20.495 -5.056 1.00 0.00 C ATOM 226 NH1 ARG A 63 -8.950 -20.896 -4.623 1.00 0.00 N ATOM 227 NH2 ARG A 63 -10.844 -21.282 -5.858 1.00 0.00 N ATOM 0 H ARG A 63 -5.177 -18.497 -4.574 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.659 -16.299 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.514 -18.580 -5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.418 -18.641 -3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.998 -16.458 -4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.415 -17.275 -5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.344 -18.929 -3.081 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.663 -17.788 -3.253 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.540 -19.036 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.402 -20.295 -4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.585 -21.806 -4.905 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.757 -20.979 -6.196 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.473 -22.190 -6.136 1.00 0.00 H new ATOM 241 N LEU A 64 -5.896 -16.339 -2.426 1.00 0.00 N ATOM 242 CA LEU A 64 -5.890 -15.557 -1.199 1.00 0.00 C ATOM 243 C LEU A 64 -5.140 -14.254 -1.424 1.00 0.00 C ATOM 244 O LEU A 64 -5.404 -13.238 -0.780 1.00 0.00 O ATOM 245 CB LEU A 64 -5.254 -16.366 -0.060 1.00 0.00 C ATOM 246 CG LEU A 64 -4.540 -15.548 1.022 1.00 0.00 C ATOM 247 CD1 LEU A 64 -4.627 -16.253 2.369 1.00 0.00 C ATOM 248 CD2 LEU A 64 -3.088 -15.306 0.632 1.00 0.00 C ATOM 0 H LEU A 64 -5.285 -17.156 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.916 -15.322 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.033 -16.961 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.538 -17.065 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.037 -14.582 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.115 -15.658 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.673 -16.373 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.155 -17.233 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.594 -14.724 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.578 -16.262 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.051 -14.758 -0.310 1.00 0.00 H new ATOM 260 N GLU A 65 -4.211 -14.302 -2.363 1.00 0.00 N ATOM 261 CA GLU A 65 -3.409 -13.143 -2.724 1.00 0.00 C ATOM 262 C GLU A 65 -4.217 -12.206 -3.610 1.00 0.00 C ATOM 263 O GLU A 65 -4.062 -10.986 -3.549 1.00 0.00 O ATOM 264 CB GLU A 65 -2.139 -13.584 -3.454 1.00 0.00 C ATOM 265 CG GLU A 65 -1.250 -12.427 -3.885 1.00 0.00 C ATOM 266 CD GLU A 65 -1.172 -12.281 -5.392 1.00 0.00 C ATOM 267 OE1 GLU A 65 -2.239 -12.201 -6.037 1.00 0.00 O ATOM 268 OE2 GLU A 65 -0.045 -12.249 -5.928 1.00 0.00 O ATOM 0 H GLU A 65 -3.991 -15.143 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.126 -12.616 -1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.568 -14.247 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.419 -14.163 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.630 -11.501 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.247 -12.576 -3.486 1.00 0.00 H new ATOM 275 N GLN A 66 -5.093 -12.790 -4.424 1.00 0.00 N ATOM 276 CA GLN A 66 -5.940 -12.009 -5.315 1.00 0.00 C ATOM 277 C GLN A 66 -7.116 -11.409 -4.549 1.00 0.00 C ATOM 278 O GLN A 66 -7.699 -10.411 -4.971 1.00 0.00 O ATOM 279 CB GLN A 66 -6.454 -12.881 -6.461 1.00 0.00 C ATOM 280 CG GLN A 66 -5.389 -13.217 -7.492 1.00 0.00 C ATOM 281 CD GLN A 66 -5.046 -12.036 -8.376 1.00 0.00 C ATOM 282 OE1 GLN A 66 -5.563 -11.904 -9.486 1.00 0.00 O ATOM 283 NE2 GLN A 66 -4.169 -11.166 -7.887 1.00 0.00 N ATOM 0 H GLN A 66 -5.233 -13.799 -4.483 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.342 -11.197 -5.729 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.856 -13.807 -6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.278 -12.368 -6.956 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.488 -13.559 -6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.736 -14.043 -8.113 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.765 -11.314 -6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.900 -10.350 -8.436 1.00 0.00 H new ATOM 292 N LEU A 67 -7.456 -12.025 -3.421 1.00 0.00 N ATOM 293 CA LEU A 67 -8.561 -11.555 -2.592 1.00 0.00 C ATOM 294 C LEU A 67 -8.146 -10.337 -1.772 1.00 0.00 C ATOM 295 O LEU A 67 -8.975 -9.487 -1.447 1.00 0.00 O ATOM 296 CB LEU A 67 -9.034 -12.675 -1.662 1.00 0.00 C ATOM 297 CG LEU A 67 -10.379 -12.428 -0.973 1.00 0.00 C ATOM 298 CD1 LEU A 67 -10.240 -11.371 0.112 1.00 0.00 C ATOM 299 CD2 LEU A 67 -11.434 -12.017 -1.989 1.00 0.00 C ATOM 0 H LEU A 67 -6.981 -12.852 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.381 -11.264 -3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.103 -13.598 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.275 -12.833 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.699 -13.359 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -11.207 -11.210 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.519 -11.707 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.895 -10.437 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -12.382 -11.846 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.120 -11.101 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -11.556 -12.809 -2.727 1.00 0.00 H new ATOM 311 N PHE A 68 -6.861 -10.259 -1.437 1.00 0.00 N ATOM 312 CA PHE A 68 -6.340 -9.143 -0.651 1.00 0.00 C ATOM 313 C PHE A 68 -6.800 -9.242 0.801 1.00 0.00 C ATOM 314 O PHE A 68 -7.285 -10.286 1.235 1.00 0.00 O ATOM 315 CB PHE A 68 -6.790 -7.807 -1.255 1.00 0.00 C ATOM 316 CG PHE A 68 -5.654 -6.894 -1.621 1.00 0.00 C ATOM 317 CD1 PHE A 68 -4.567 -6.743 -0.773 1.00 0.00 C ATOM 318 CD2 PHE A 68 -5.674 -6.185 -2.812 1.00 0.00 C ATOM 319 CE1 PHE A 68 -3.523 -5.902 -1.107 1.00 0.00 C ATOM 320 CE2 PHE A 68 -4.632 -5.342 -3.150 1.00 0.00 C ATOM 321 CZ PHE A 68 -3.555 -5.200 -2.297 1.00 0.00 C ATOM 0 H PHE A 68 -6.161 -10.954 -1.697 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.251 -9.192 -0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.387 -8.004 -2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.439 -7.297 -0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.536 -7.289 0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.513 -6.292 -3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.682 -5.793 -0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.660 -4.795 -4.081 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.740 -4.542 -2.559 1.00 0.00 H new ATOM 331 N LEU A 69 -6.645 -8.142 1.544 1.00 0.00 N ATOM 332 CA LEU A 69 -7.046 -8.077 2.954 1.00 0.00 C ATOM 333 C LEU A 69 -5.937 -8.568 3.884 1.00 0.00 C ATOM 334 O LEU A 69 -5.800 -8.077 5.004 1.00 0.00 O ATOM 335 CB LEU A 69 -8.328 -8.880 3.202 1.00 0.00 C ATOM 336 CG LEU A 69 -9.109 -8.477 4.454 1.00 0.00 C ATOM 337 CD1 LEU A 69 -9.933 -7.225 4.188 1.00 0.00 C ATOM 338 CD2 LEU A 69 -10.005 -9.617 4.913 1.00 0.00 C ATOM 0 H LEU A 69 -6.240 -7.276 1.188 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.238 -7.028 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.980 -8.773 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.069 -9.936 3.278 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.396 -8.258 5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.482 -6.953 5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.271 -6.407 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.637 -7.418 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.553 -9.313 5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.711 -9.867 4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.394 -10.490 5.143 1.00 0.00 H new ATOM 350 N LEU A 70 -5.151 -9.539 3.426 1.00 0.00 N ATOM 351 CA LEU A 70 -4.070 -10.086 4.232 1.00 0.00 C ATOM 352 C LEU A 70 -2.703 -9.759 3.622 1.00 0.00 C ATOM 353 O LEU A 70 -1.677 -9.871 4.293 1.00 0.00 O ATOM 354 CB LEU A 70 -4.261 -11.599 4.395 1.00 0.00 C ATOM 355 CG LEU A 70 -3.027 -12.451 4.118 1.00 0.00 C ATOM 356 CD1 LEU A 70 -2.140 -12.526 5.350 1.00 0.00 C ATOM 357 CD2 LEU A 70 -3.429 -13.843 3.657 1.00 0.00 C ATOM 0 H LEU A 70 -5.244 -9.961 2.502 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.099 -9.623 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.597 -11.797 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.060 -11.921 3.727 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.458 -11.979 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.265 -13.138 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.820 -11.522 5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.698 -12.971 6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.534 -14.435 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.024 -14.326 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.018 -13.768 2.743 1.00 0.00 H new ATOM 369 N ILE A 71 -2.693 -9.361 2.352 1.00 0.00 N ATOM 370 CA ILE A 71 -1.447 -9.028 1.666 1.00 0.00 C ATOM 371 C ILE A 71 -0.621 -8.027 2.472 1.00 0.00 C ATOM 372 O ILE A 71 0.607 -8.108 2.506 1.00 0.00 O ATOM 373 CB ILE A 71 -1.712 -8.453 0.259 1.00 0.00 C ATOM 374 CG1 ILE A 71 -2.521 -9.448 -0.576 1.00 0.00 C ATOM 375 CG2 ILE A 71 -0.401 -8.116 -0.437 1.00 0.00 C ATOM 376 CD1 ILE A 71 -2.840 -8.950 -1.969 1.00 0.00 C ATOM 0 H ILE A 71 -3.531 -9.261 1.779 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.885 -9.957 1.567 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.290 -7.535 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.965 -10.383 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.453 -9.672 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.608 -7.712 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.143 -7.376 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.203 -9.018 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.415 -9.707 -2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.423 -8.031 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.912 -8.753 -2.506 1.00 0.00 H new ATOM 388 N PHE A 72 -1.302 -7.088 3.119 1.00 0.00 N ATOM 389 CA PHE A 72 -0.626 -6.077 3.924 1.00 0.00 C ATOM 390 C PHE A 72 -0.869 -6.317 5.413 1.00 0.00 C ATOM 391 O PHE A 72 -1.965 -6.712 5.815 1.00 0.00 O ATOM 392 CB PHE A 72 -1.109 -4.679 3.533 1.00 0.00 C ATOM 393 CG PHE A 72 -0.019 -3.644 3.537 1.00 0.00 C ATOM 394 CD1 PHE A 72 0.951 -3.638 2.545 1.00 0.00 C ATOM 395 CD2 PHE A 72 0.037 -2.681 4.530 1.00 0.00 C ATOM 396 CE1 PHE A 72 1.954 -2.688 2.547 1.00 0.00 C ATOM 397 CE2 PHE A 72 1.038 -1.729 4.536 1.00 0.00 C ATOM 398 CZ PHE A 72 1.998 -1.732 3.543 1.00 0.00 C ATOM 0 H PHE A 72 -2.319 -7.006 3.102 1.00 0.00 H new ATOM 0 HA PHE A 72 0.445 -6.149 3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.554 -4.722 2.539 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.895 -4.369 4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.922 -4.383 1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.711 -2.674 5.309 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.704 -2.693 1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.070 -0.983 5.316 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.781 -0.989 3.545 1.00 0.00 H new ATOM 408 N PRO A 73 0.152 -6.081 6.258 1.00 0.00 N ATOM 409 CA PRO A 73 0.036 -6.277 7.707 1.00 0.00 C ATOM 410 C PRO A 73 -0.888 -5.253 8.357 1.00 0.00 C ATOM 411 O PRO A 73 -1.516 -5.529 9.378 1.00 0.00 O ATOM 412 CB PRO A 73 1.470 -6.100 8.207 1.00 0.00 C ATOM 413 CG PRO A 73 2.127 -5.242 7.183 1.00 0.00 C ATOM 414 CD PRO A 73 1.494 -5.608 5.869 1.00 0.00 C ATOM 0 HA PRO A 73 -0.397 -7.247 7.954 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.491 -5.629 9.190 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.977 -7.060 8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.980 -4.185 7.406 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.203 -5.416 7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.439 -4.752 5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.060 -6.383 5.352 1.00 0.00 H new ATOM 422 N ARG A 74 -0.965 -4.069 7.755 1.00 0.00 N ATOM 423 CA ARG A 74 -1.814 -3.002 8.275 1.00 0.00 C ATOM 424 C ARG A 74 -2.978 -2.727 7.327 1.00 0.00 C ATOM 425 O ARG A 74 -3.113 -3.375 6.290 1.00 0.00 O ATOM 426 CB ARG A 74 -0.994 -1.726 8.484 1.00 0.00 C ATOM 427 CG ARG A 74 -1.205 -1.086 9.847 1.00 0.00 C ATOM 428 CD ARG A 74 -0.188 0.013 10.107 1.00 0.00 C ATOM 429 NE ARG A 74 1.178 -0.502 10.146 1.00 0.00 N ATOM 430 CZ ARG A 74 2.258 0.270 10.247 1.00 0.00 C ATOM 431 NH1 ARG A 74 2.135 1.590 10.319 1.00 0.00 N ATOM 432 NH2 ARG A 74 3.466 -0.280 10.274 1.00 0.00 N ATOM 0 H ARG A 74 -0.451 -3.825 6.909 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.219 -3.324 9.234 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.064 -1.959 8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.254 -1.005 7.709 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.212 -0.673 9.905 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.127 -1.847 10.624 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.267 0.771 9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.418 0.503 11.053 1.00 0.00 H new ATOM 0 HE ARG A 74 1.312 -1.512 10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.209 2.018 10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.966 2.176 10.396 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.566 -1.293 10.217 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.294 0.311 10.351 1.00 0.00 H new ATOM 446 N GLU A 75 -3.819 -1.762 7.691 1.00 0.00 N ATOM 447 CA GLU A 75 -4.971 -1.405 6.873 1.00 0.00 C ATOM 448 C GLU A 75 -4.671 -0.186 6.006 1.00 0.00 C ATOM 449 O GLU A 75 -4.921 -0.192 4.801 1.00 0.00 O ATOM 450 CB GLU A 75 -6.187 -1.127 7.758 1.00 0.00 C ATOM 451 CG GLU A 75 -7.509 -1.503 7.113 1.00 0.00 C ATOM 452 CD GLU A 75 -8.536 -1.980 8.121 1.00 0.00 C ATOM 453 OE1 GLU A 75 -8.530 -3.184 8.451 1.00 0.00 O ATOM 454 OE2 GLU A 75 -9.348 -1.148 8.580 1.00 0.00 O ATOM 0 H GLU A 75 -3.723 -1.215 8.546 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.191 -2.248 6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.079 -1.678 8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.205 -0.067 8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.905 -0.641 6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.339 -2.287 6.375 1.00 0.00 H new ATOM 461 N ASP A 76 -4.137 0.861 6.629 1.00 0.00 N ATOM 462 CA ASP A 76 -3.806 2.088 5.912 1.00 0.00 C ATOM 463 C ASP A 76 -2.395 2.022 5.337 1.00 0.00 C ATOM 464 O ASP A 76 -1.500 1.417 5.930 1.00 0.00 O ATOM 465 CB ASP A 76 -3.932 3.296 6.843 1.00 0.00 C ATOM 466 CG ASP A 76 -5.324 3.896 6.826 1.00 0.00 C ATOM 467 OD1 ASP A 76 -5.787 4.292 5.735 1.00 0.00 O ATOM 468 OD2 ASP A 76 -5.952 3.970 7.903 1.00 0.00 O ATOM 0 H ASP A 76 -3.925 0.884 7.626 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.510 2.196 5.087 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.681 2.995 7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.208 4.056 6.548 1.00 0.00 H new ATOM 473 N LEU A 77 -2.203 2.648 4.181 1.00 0.00 N ATOM 474 CA LEU A 77 -0.899 2.662 3.527 1.00 0.00 C ATOM 475 C LEU A 77 -0.208 4.008 3.728 1.00 0.00 C ATOM 476 O LEU A 77 0.662 4.146 4.590 1.00 0.00 O ATOM 477 CB LEU A 77 -1.050 2.359 2.033 1.00 0.00 C ATOM 478 CG LEU A 77 -0.501 1.002 1.589 1.00 0.00 C ATOM 479 CD1 LEU A 77 0.990 0.912 1.871 1.00 0.00 C ATOM 480 CD2 LEU A 77 -1.245 -0.126 2.287 1.00 0.00 C ATOM 0 H LEU A 77 -2.933 3.152 3.678 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.280 1.888 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.107 2.409 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.545 3.141 1.466 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.654 0.903 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.363 -0.060 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.511 1.700 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.166 1.032 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.842 -1.085 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.122 -0.030 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.304 -0.073 2.036 1.00 0.00 H new ATOM 492 N ASP A 78 -0.599 5.000 2.931 1.00 0.00 N ATOM 493 CA ASP A 78 -0.018 6.339 3.023 1.00 0.00 C ATOM 494 C ASP A 78 1.413 6.361 2.488 1.00 0.00 C ATOM 495 O ASP A 78 1.728 7.121 1.570 1.00 0.00 O ATOM 496 CB ASP A 78 -0.039 6.836 4.472 1.00 0.00 C ATOM 497 CG ASP A 78 -1.366 6.570 5.158 1.00 0.00 C ATOM 498 OD1 ASP A 78 -2.407 7.003 4.621 1.00 0.00 O ATOM 499 OD2 ASP A 78 -1.362 5.930 6.230 1.00 0.00 O ATOM 0 H ASP A 78 -1.317 4.902 2.213 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.624 7.004 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.760 6.349 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.167 7.906 4.489 1.00 0.00 H new ATOM 504 N MET A 79 2.277 5.531 3.070 1.00 0.00 N ATOM 505 CA MET A 79 3.680 5.455 2.661 1.00 0.00 C ATOM 506 C MET A 79 3.825 5.447 1.140 1.00 0.00 C ATOM 507 O MET A 79 4.559 6.258 0.578 1.00 0.00 O ATOM 508 CB MET A 79 4.333 4.204 3.250 1.00 0.00 C ATOM 509 CG MET A 79 4.866 4.401 4.659 1.00 0.00 C ATOM 510 SD MET A 79 4.840 2.884 5.631 1.00 0.00 S ATOM 511 CE MET A 79 3.484 3.221 6.750 1.00 0.00 C ATOM 0 H MET A 79 2.029 4.898 3.830 1.00 0.00 H new ATOM 0 HA MET A 79 4.183 6.344 3.042 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.605 3.393 3.256 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.152 3.892 2.601 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.888 4.777 4.607 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.272 5.162 5.165 1.00 0.00 H new ATOM 0 HE1 MET A 79 3.344 2.371 7.418 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.710 4.111 7.338 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.572 3.387 6.177 1.00 0.00 H new ATOM 521 N ILE A 80 3.125 4.529 0.482 1.00 0.00 N ATOM 522 CA ILE A 80 3.184 4.424 -0.972 1.00 0.00 C ATOM 523 C ILE A 80 2.693 5.707 -1.637 1.00 0.00 C ATOM 524 O ILE A 80 3.134 6.061 -2.729 1.00 0.00 O ATOM 525 CB ILE A 80 2.343 3.235 -1.483 1.00 0.00 C ATOM 526 CG1 ILE A 80 2.797 1.939 -0.810 1.00 0.00 C ATOM 527 CG2 ILE A 80 2.448 3.116 -2.998 1.00 0.00 C ATOM 528 CD1 ILE A 80 1.995 0.725 -1.231 1.00 0.00 C ATOM 0 H ILE A 80 2.512 3.849 0.931 1.00 0.00 H new ATOM 0 HA ILE A 80 4.229 4.260 -1.237 1.00 0.00 H new ATOM 0 HB ILE A 80 1.299 3.413 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.848 1.768 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.724 2.056 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.848 2.272 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.082 4.032 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.489 2.958 -3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.372 -0.157 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.946 0.875 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.088 0.583 -2.308 1.00 0.00 H new ATOM 540 N LEU A 81 1.776 6.397 -0.967 1.00 0.00 N ATOM 541 CA LEU A 81 1.220 7.642 -1.491 1.00 0.00 C ATOM 542 C LEU A 81 2.234 8.777 -1.397 1.00 0.00 C ATOM 543 O LEU A 81 2.188 9.729 -2.176 1.00 0.00 O ATOM 544 CB LEU A 81 -0.055 8.021 -0.730 1.00 0.00 C ATOM 545 CG LEU A 81 -0.896 6.842 -0.231 1.00 0.00 C ATOM 546 CD1 LEU A 81 -2.209 7.335 0.357 1.00 0.00 C ATOM 547 CD2 LEU A 81 -1.154 5.853 -1.360 1.00 0.00 C ATOM 0 H LEU A 81 1.402 6.117 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 81 0.975 7.482 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.222 8.636 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.675 8.639 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.339 6.330 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.794 6.484 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.005 8.003 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.771 7.872 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.753 5.022 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.690 6.353 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.204 5.475 -1.736 1.00 0.00 H new ATOM 559 N LYS A 82 3.150 8.672 -0.438 1.00 0.00 N ATOM 560 CA LYS A 82 4.173 9.693 -0.244 1.00 0.00 C ATOM 561 C LYS A 82 5.439 9.364 -1.035 1.00 0.00 C ATOM 562 O LYS A 82 6.261 10.241 -1.297 1.00 0.00 O ATOM 563 CB LYS A 82 4.509 9.828 1.242 1.00 0.00 C ATOM 564 CG LYS A 82 3.284 9.977 2.130 1.00 0.00 C ATOM 565 CD LYS A 82 3.624 10.684 3.433 1.00 0.00 C ATOM 566 CE LYS A 82 2.558 11.702 3.810 1.00 0.00 C ATOM 567 NZ LYS A 82 1.219 11.070 3.975 1.00 0.00 N ATOM 0 H LYS A 82 3.204 7.891 0.216 1.00 0.00 H new ATOM 0 HA LYS A 82 3.777 10.640 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.074 8.951 1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.157 10.693 1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.515 10.539 1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.868 8.993 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.725 9.949 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.588 11.184 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.842 12.198 4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.503 12.472 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.547 11.772 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.883 10.722 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.290 10.274 4.641 1.00 0.00 H new ATOM 581 N MET A 83 5.587 8.097 -1.412 1.00 0.00 N ATOM 582 CA MET A 83 6.751 7.657 -2.172 1.00 0.00 C ATOM 583 C MET A 83 6.475 7.703 -3.673 1.00 0.00 C ATOM 584 O MET A 83 7.399 7.783 -4.480 1.00 0.00 O ATOM 585 CB MET A 83 7.149 6.240 -1.758 1.00 0.00 C ATOM 586 CG MET A 83 8.073 6.196 -0.553 1.00 0.00 C ATOM 587 SD MET A 83 9.067 4.692 -0.495 1.00 0.00 S ATOM 588 CE MET A 83 8.182 3.747 0.743 1.00 0.00 C ATOM 0 H MET A 83 4.915 7.358 -1.203 1.00 0.00 H new ATOM 0 HA MET A 83 7.574 8.338 -1.953 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.248 5.669 -1.535 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.638 5.749 -2.599 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.733 7.063 -0.575 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.479 6.270 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.677 2.787 0.891 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.172 4.299 1.683 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.158 3.579 0.409 1.00 0.00 H new ATOM 598 N ASP A 84 5.196 7.652 -4.039 1.00 0.00 N ATOM 599 CA ASP A 84 4.805 7.688 -5.443 1.00 0.00 C ATOM 600 C ASP A 84 4.663 9.128 -5.931 1.00 0.00 C ATOM 601 O ASP A 84 5.363 9.553 -6.849 1.00 0.00 O ATOM 602 CB ASP A 84 3.488 6.937 -5.646 1.00 0.00 C ATOM 603 CG ASP A 84 3.699 5.451 -5.859 1.00 0.00 C ATOM 604 OD1 ASP A 84 4.575 4.873 -5.182 1.00 0.00 O ATOM 605 OD2 ASP A 84 2.988 4.864 -6.702 1.00 0.00 O ATOM 0 H ASP A 84 4.417 7.586 -3.384 1.00 0.00 H new ATOM 0 HA ASP A 84 5.587 7.201 -6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.848 7.090 -4.777 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.964 7.354 -6.506 1.00 0.00 H new ATOM 610 N SER A 85 3.754 9.870 -5.310 1.00 0.00 N ATOM 611 CA SER A 85 3.520 11.262 -5.682 1.00 0.00 C ATOM 612 C SER A 85 2.662 11.967 -4.637 1.00 0.00 C ATOM 613 O SER A 85 1.531 11.560 -4.371 1.00 0.00 O ATOM 614 CB SER A 85 2.844 11.339 -7.052 1.00 0.00 C ATOM 615 OG SER A 85 3.343 12.428 -7.808 1.00 0.00 O ATOM 0 H SER A 85 3.167 9.533 -4.547 1.00 0.00 H new ATOM 0 HA SER A 85 4.485 11.766 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.010 10.409 -7.595 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.767 11.445 -6.924 1.00 0.00 H new ATOM 0 HG SER A 85 2.896 12.453 -8.680 1.00 0.00 H new ATOM 621 N LEU A 86 3.205 13.027 -4.047 1.00 0.00 N ATOM 622 CA LEU A 86 2.487 13.787 -3.031 1.00 0.00 C ATOM 623 C LEU A 86 3.218 15.085 -2.700 1.00 0.00 C ATOM 624 O LEU A 86 2.595 16.136 -2.542 1.00 0.00 O ATOM 625 CB LEU A 86 2.310 12.943 -1.765 1.00 0.00 C ATOM 626 CG LEU A 86 0.860 12.737 -1.324 1.00 0.00 C ATOM 627 CD1 LEU A 86 0.714 11.427 -0.563 1.00 0.00 C ATOM 628 CD2 LEU A 86 0.393 13.906 -0.471 1.00 0.00 C ATOM 0 H LEU A 86 4.140 13.379 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 86 1.505 14.041 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.766 11.967 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.858 13.417 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 86 0.232 12.688 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.324 11.298 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.009 10.598 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.353 11.446 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.641 13.744 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.024 13.986 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.460 14.828 -1.049 1.00 0.00 H new ATOM 640 N ARG A 87 4.540 15.007 -2.594 1.00 0.00 N ATOM 641 CA ARG A 87 5.353 16.177 -2.281 1.00 0.00 C ATOM 642 C ARG A 87 5.459 17.108 -3.485 1.00 0.00 C ATOM 643 O ARG A 87 5.432 18.327 -3.342 1.00 0.00 O ATOM 644 CB ARG A 87 6.750 15.748 -1.829 1.00 0.00 C ATOM 645 CG ARG A 87 6.739 14.791 -0.647 1.00 0.00 C ATOM 646 CD ARG A 87 8.026 13.984 -0.573 1.00 0.00 C ATOM 647 NE ARG A 87 8.300 13.514 0.782 1.00 0.00 N ATOM 648 CZ ARG A 87 9.427 12.905 1.141 1.00 0.00 C ATOM 649 NH1 ARG A 87 10.386 12.691 0.250 1.00 0.00 N ATOM 650 NH2 ARG A 87 9.595 12.508 2.396 1.00 0.00 N ATOM 0 H ARG A 87 5.072 14.146 -2.720 1.00 0.00 H new ATOM 0 HA ARG A 87 4.866 16.718 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.264 15.274 -2.665 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.325 16.635 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.607 15.354 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.888 14.115 -0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.957 13.129 -1.246 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.858 14.597 -0.919 1.00 0.00 H new ATOM 0 HE ARG A 87 7.586 13.661 1.495 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.261 12.994 -0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.248 12.224 0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.860 12.670 3.085 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.459 12.041 2.672 1.00 0.00 H new ATOM 664 N ASP A 88 5.580 16.523 -4.673 1.00 0.00 N ATOM 665 CA ASP A 88 5.687 17.305 -5.901 1.00 0.00 C ATOM 666 C ASP A 88 4.363 17.990 -6.242 1.00 0.00 C ATOM 667 O ASP A 88 4.313 18.865 -7.106 1.00 0.00 O ATOM 668 CB ASP A 88 6.121 16.408 -7.061 1.00 0.00 C ATOM 669 CG ASP A 88 7.629 16.274 -7.156 1.00 0.00 C ATOM 670 OD1 ASP A 88 8.303 17.297 -7.396 1.00 0.00 O ATOM 671 OD2 ASP A 88 8.137 15.144 -6.989 1.00 0.00 O ATOM 0 H ASP A 88 5.606 15.513 -4.812 1.00 0.00 H new ATOM 0 HA ASP A 88 6.438 18.078 -5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.678 15.420 -6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.736 16.816 -7.996 1.00 0.00 H new ATOM 676 N ILE A 89 3.297 17.600 -5.547 1.00 0.00 N ATOM 677 CA ILE A 89 1.981 18.182 -5.767 1.00 0.00 C ATOM 678 C ILE A 89 1.787 19.359 -4.831 1.00 0.00 C ATOM 679 O ILE A 89 1.521 20.479 -5.268 1.00 0.00 O ATOM 680 CB ILE A 89 0.857 17.150 -5.540 1.00 0.00 C ATOM 681 CG1 ILE A 89 1.043 15.948 -6.469 1.00 0.00 C ATOM 682 CG2 ILE A 89 -0.511 17.788 -5.760 1.00 0.00 C ATOM 683 CD1 ILE A 89 2.250 15.101 -6.132 1.00 0.00 C ATOM 0 H ILE A 89 3.322 16.880 -4.825 1.00 0.00 H new ATOM 0 HA ILE A 89 1.927 18.513 -6.804 1.00 0.00 H new ATOM 0 HB ILE A 89 0.911 16.803 -4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.150 15.325 -6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.135 16.304 -7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.290 17.044 -5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.644 18.614 -5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.578 18.163 -6.781 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.317 14.268 -6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.152 15.709 -6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.152 14.715 -5.117 1.00 0.00 H new ATOM 695 N GLU A 90 1.963 19.102 -3.540 1.00 0.00 N ATOM 696 CA GLU A 90 1.852 20.148 -2.541 1.00 0.00 C ATOM 697 C GLU A 90 2.939 21.189 -2.785 1.00 0.00 C ATOM 698 O GLU A 90 2.840 22.326 -2.331 1.00 0.00 O ATOM 699 CB GLU A 90 1.986 19.563 -1.133 1.00 0.00 C ATOM 700 CG GLU A 90 1.844 20.599 -0.027 1.00 0.00 C ATOM 701 CD GLU A 90 2.408 20.120 1.296 1.00 0.00 C ATOM 702 OE1 GLU A 90 1.658 19.484 2.065 1.00 0.00 O ATOM 703 OE2 GLU A 90 3.599 20.384 1.563 1.00 0.00 O ATOM 0 H GLU A 90 2.183 18.179 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 90 0.872 20.618 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.229 18.791 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.957 19.077 -1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.354 21.515 -0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.790 20.847 0.100 1.00 0.00 H new ATOM 710 N ALA A 91 3.973 20.782 -3.524 1.00 0.00 N ATOM 711 CA ALA A 91 5.082 21.665 -3.854 1.00 0.00 C ATOM 712 C ALA A 91 4.779 22.432 -5.133 1.00 0.00 C ATOM 713 O ALA A 91 4.816 23.665 -5.154 1.00 0.00 O ATOM 714 CB ALA A 91 6.367 20.868 -4.003 1.00 0.00 C ATOM 0 H ALA A 91 4.061 19.840 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 91 5.214 22.380 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.187 21.542 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.588 20.356 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.249 20.133 -4.800 1.00 0.00 H new ATOM 720 N LEU A 92 4.454 21.699 -6.198 1.00 0.00 N ATOM 721 CA LEU A 92 4.120 22.330 -7.472 1.00 0.00 C ATOM 722 C LEU A 92 3.025 23.370 -7.263 1.00 0.00 C ATOM 723 O LEU A 92 2.917 24.338 -8.014 1.00 0.00 O ATOM 724 CB LEU A 92 3.662 21.287 -8.494 1.00 0.00 C ATOM 725 CG LEU A 92 4.748 20.792 -9.454 1.00 0.00 C ATOM 726 CD1 LEU A 92 5.136 21.892 -10.429 1.00 0.00 C ATOM 727 CD2 LEU A 92 5.966 20.302 -8.685 1.00 0.00 C ATOM 0 H LEU A 92 4.415 20.680 -6.204 1.00 0.00 H new ATOM 0 HA LEU A 92 5.014 22.819 -7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.256 20.430 -7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.847 21.710 -9.081 1.00 0.00 H new ATOM 0 HG LEU A 92 4.347 19.953 -10.022 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.909 21.524 -11.104 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.262 22.191 -11.007 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.516 22.751 -9.876 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.724 19.955 -9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.371 21.118 -8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.676 19.481 -8.029 1.00 0.00 H new ATOM 739 N LEU A 93 2.225 23.166 -6.221 1.00 0.00 N ATOM 740 CA LEU A 93 1.150 24.086 -5.893 1.00 0.00 C ATOM 741 C LEU A 93 1.637 25.128 -4.894 1.00 0.00 C ATOM 742 O LEU A 93 1.274 26.298 -4.976 1.00 0.00 O ATOM 743 CB LEU A 93 -0.050 23.325 -5.321 1.00 0.00 C ATOM 744 CG LEU A 93 -1.309 23.356 -6.189 1.00 0.00 C ATOM 745 CD1 LEU A 93 -1.760 24.789 -6.422 1.00 0.00 C ATOM 746 CD2 LEU A 93 -1.059 22.650 -7.513 1.00 0.00 C ATOM 0 H LEU A 93 2.304 22.369 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 93 0.836 24.593 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.239 22.286 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.291 23.740 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.105 22.828 -5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.657 24.792 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.979 25.262 -5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.968 25.342 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.965 22.681 -8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.250 23.150 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.783 21.612 -7.326 1.00 0.00 H new ATOM 758 N THR A 94 2.472 24.697 -3.952 1.00 0.00 N ATOM 759 CA THR A 94 3.007 25.609 -2.947 1.00 0.00 C ATOM 760 C THR A 94 3.872 26.694 -3.595 1.00 0.00 C ATOM 761 O THR A 94 4.189 27.701 -2.962 1.00 0.00 O ATOM 762 CB THR A 94 3.817 24.835 -1.895 1.00 0.00 C ATOM 763 OG1 THR A 94 2.957 24.278 -0.917 1.00 0.00 O ATOM 764 CG2 THR A 94 4.843 25.679 -1.165 1.00 0.00 C ATOM 0 H THR A 94 2.790 23.732 -3.864 1.00 0.00 H new ATOM 0 HA THR A 94 2.167 26.096 -2.452 1.00 0.00 H new ATOM 0 HB THR A 94 4.345 24.065 -2.458 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.494 23.501 -1.293 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.373 25.061 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.555 26.088 -1.882 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.340 26.496 -0.647 1.00 0.00 H new ATOM 772 N GLY A 95 4.258 26.483 -4.852 1.00 0.00 N ATOM 773 CA GLY A 95 5.088 27.456 -5.539 1.00 0.00 C ATOM 774 C GLY A 95 4.493 27.937 -6.851 1.00 0.00 C ATOM 775 O GLY A 95 4.754 29.062 -7.277 1.00 0.00 O ATOM 0 H GLY A 95 4.012 25.661 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.247 28.313 -4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.067 27.016 -5.732 1.00 0.00 H new ATOM 779 N LEU A 96 3.701 27.089 -7.502 1.00 0.00 N ATOM 780 CA LEU A 96 3.090 27.453 -8.778 1.00 0.00 C ATOM 781 C LEU A 96 1.610 27.788 -8.633 1.00 0.00 C ATOM 782 O LEU A 96 0.921 28.016 -9.627 1.00 0.00 O ATOM 783 CB LEU A 96 3.263 26.320 -9.786 1.00 0.00 C ATOM 784 CG LEU A 96 3.596 26.763 -11.211 1.00 0.00 C ATOM 785 CD1 LEU A 96 4.326 25.656 -11.956 1.00 0.00 C ATOM 786 CD2 LEU A 96 2.330 27.164 -11.953 1.00 0.00 C ATOM 0 H LEU A 96 3.468 26.153 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 96 3.599 28.348 -9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.055 25.659 -9.433 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.345 25.733 -9.810 1.00 0.00 H new ATOM 0 HG LEU A 96 4.253 27.631 -11.158 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.555 25.989 -12.968 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.253 25.416 -11.434 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.694 24.769 -12.000 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.585 27.477 -12.966 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.649 26.314 -11.996 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.847 27.989 -11.429 1.00 0.00 H new ATOM 798 N PHE A 97 1.132 27.812 -7.396 1.00 0.00 N ATOM 799 CA PHE A 97 -0.274 28.119 -7.105 1.00 0.00 C ATOM 800 C PHE A 97 -0.825 29.186 -8.047 1.00 0.00 C ATOM 801 O PHE A 97 -0.142 30.160 -8.368 1.00 0.00 O ATOM 802 CB PHE A 97 -0.427 28.591 -5.657 1.00 0.00 C ATOM 803 CG PHE A 97 0.531 29.683 -5.276 1.00 0.00 C ATOM 804 CD1 PHE A 97 1.826 29.380 -4.882 1.00 0.00 C ATOM 805 CD2 PHE A 97 0.139 31.011 -5.312 1.00 0.00 C ATOM 806 CE1 PHE A 97 2.709 30.384 -4.531 1.00 0.00 C ATOM 807 CE2 PHE A 97 1.018 32.017 -4.962 1.00 0.00 C ATOM 808 CZ PHE A 97 2.306 31.704 -4.571 1.00 0.00 C ATOM 0 H PHE A 97 1.697 27.622 -6.568 1.00 0.00 H new ATOM 0 HA PHE A 97 -0.844 27.202 -7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.447 28.944 -5.505 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.281 27.742 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.148 28.350 -4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.866 31.263 -5.617 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.715 30.136 -4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.699 33.048 -4.994 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.995 32.489 -4.298 1.00 0.00 H new ATOM 818 N VAL A 98 -2.065 28.996 -8.487 1.00 0.00 N ATOM 819 CA VAL A 98 -2.711 29.939 -9.391 1.00 0.00 C ATOM 820 C VAL A 98 -3.052 31.240 -8.674 1.00 0.00 C ATOM 821 O VAL A 98 -3.842 31.252 -7.729 1.00 0.00 O ATOM 822 CB VAL A 98 -3.997 29.345 -9.997 1.00 0.00 C ATOM 823 CG1 VAL A 98 -4.571 30.278 -11.053 1.00 0.00 C ATOM 824 CG2 VAL A 98 -3.726 27.969 -10.585 1.00 0.00 C ATOM 0 H VAL A 98 -2.643 28.195 -8.231 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.003 30.145 -10.194 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.733 29.236 -9.201 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.479 29.841 -11.470 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.806 31.240 -10.599 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.839 30.421 -11.848 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.646 27.566 -11.008 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.972 28.050 -11.368 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.365 27.303 -9.801 1.00 0.00 H new ATOM 993 N ALA B 52 -5.303 -33.868 -0.026 1.00 0.00 N ATOM 994 CA ALA B 52 -4.857 -32.481 0.036 1.00 0.00 C ATOM 995 C ALA B 52 -4.269 -32.148 1.404 1.00 0.00 C ATOM 996 O ALA B 52 -4.867 -32.448 2.438 1.00 0.00 O ATOM 997 CB ALA B 52 -6.009 -31.543 -0.287 1.00 0.00 C ATOM 0 HA ALA B 52 -4.071 -32.347 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -5.663 -30.511 -0.237 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -6.379 -31.754 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -6.812 -31.691 0.435 1.00 0.00 H new ATOM 1003 N HIS B 53 -3.095 -31.523 1.400 1.00 0.00 N ATOM 1004 CA HIS B 53 -2.423 -31.142 2.639 1.00 0.00 C ATOM 1005 C HIS B 53 -2.356 -29.624 2.776 1.00 0.00 C ATOM 1006 O HIS B 53 -2.381 -29.088 3.884 1.00 0.00 O ATOM 1007 CB HIS B 53 -1.012 -31.735 2.680 1.00 0.00 C ATOM 1008 CG HIS B 53 -0.916 -32.997 3.480 1.00 0.00 C ATOM 1009 ND1 HIS B 53 -1.350 -34.220 3.012 1.00 0.00 N ATOM 1010 CD2 HIS B 53 -0.429 -33.223 4.723 1.00 0.00 C ATOM 1011 CE1 HIS B 53 -1.136 -35.143 3.932 1.00 0.00 C ATOM 1012 NE2 HIS B 53 -0.576 -34.564 4.979 1.00 0.00 N ATOM 0 H HIS B 53 -2.589 -31.269 0.552 1.00 0.00 H new ATOM 0 HA HIS B 53 -3.000 -31.538 3.475 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -0.681 -31.935 1.661 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -0.328 -30.996 3.098 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -0.004 -32.486 5.389 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -1.378 -36.192 3.843 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -0.298 -35.037 5.839 1.00 0.00 H new ATOM 1021 N LEU B 54 -2.271 -28.938 1.641 1.00 0.00 N ATOM 1022 CA LEU B 54 -2.200 -27.480 1.622 1.00 0.00 C ATOM 1023 C LEU B 54 -0.920 -26.980 2.290 1.00 0.00 C ATOM 1024 O LEU B 54 0.049 -26.653 1.606 1.00 0.00 O ATOM 1025 CB LEU B 54 -3.429 -26.878 2.311 1.00 0.00 C ATOM 1026 CG LEU B 54 -4.771 -27.235 1.670 1.00 0.00 C ATOM 1027 CD1 LEU B 54 -5.875 -27.248 2.716 1.00 0.00 C ATOM 1028 CD2 LEU B 54 -5.102 -26.256 0.554 1.00 0.00 C ATOM 0 H LEU B 54 -2.249 -29.370 0.717 1.00 0.00 H new ATOM 0 HA LEU B 54 -2.185 -27.158 0.581 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.441 -27.207 3.350 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -3.326 -25.793 2.321 1.00 0.00 H new ATOM 0 HG LEU B 54 -4.695 -28.234 1.241 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.823 -27.504 2.242 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -5.641 -27.987 3.482 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -5.953 -26.262 3.175 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -6.060 -26.523 0.108 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -5.160 -25.247 0.961 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -4.323 -26.296 -0.208 1.00 0.00 H new ATOM 1040 N THR B 55 -0.936 -26.927 3.627 1.00 0.00 N ATOM 1041 CA THR B 55 0.203 -26.469 4.437 1.00 0.00 C ATOM 1042 C THR B 55 1.361 -25.909 3.595 1.00 0.00 C ATOM 1043 O THR B 55 1.406 -24.713 3.313 1.00 0.00 O ATOM 1044 CB THR B 55 0.696 -27.610 5.330 1.00 0.00 C ATOM 1045 OG1 THR B 55 -0.328 -28.033 6.212 1.00 0.00 O ATOM 1046 CG2 THR B 55 1.901 -27.241 6.170 1.00 0.00 C ATOM 0 H THR B 55 -1.745 -27.203 4.183 1.00 0.00 H new ATOM 0 HA THR B 55 -0.156 -25.643 5.051 1.00 0.00 H new ATOM 0 HB THR B 55 0.984 -28.407 4.644 1.00 0.00 H new ATOM 0 HG1 THR B 55 -1.062 -28.428 5.696 1.00 0.00 H new ATOM 0 HG21 THR B 55 2.196 -28.096 6.778 1.00 0.00 H new ATOM 0 HG22 THR B 55 2.727 -26.957 5.517 1.00 0.00 H new ATOM 0 HG23 THR B 55 1.649 -26.403 6.820 1.00 0.00 H new ATOM 1054 N GLU B 56 2.300 -26.775 3.212 1.00 0.00 N ATOM 1055 CA GLU B 56 3.460 -26.357 2.420 1.00 0.00 C ATOM 1056 C GLU B 56 3.069 -25.419 1.280 1.00 0.00 C ATOM 1057 O GLU B 56 3.388 -24.228 1.301 1.00 0.00 O ATOM 1058 CB GLU B 56 4.197 -27.579 1.860 1.00 0.00 C ATOM 1059 CG GLU B 56 3.289 -28.753 1.536 1.00 0.00 C ATOM 1060 CD GLU B 56 3.550 -29.334 0.159 1.00 0.00 C ATOM 1061 OE1 GLU B 56 3.923 -28.563 -0.750 1.00 0.00 O ATOM 1062 OE2 GLU B 56 3.383 -30.560 -0.010 1.00 0.00 O ATOM 0 H GLU B 56 2.281 -27.770 3.437 1.00 0.00 H new ATOM 0 HA GLU B 56 4.124 -25.809 3.089 1.00 0.00 H new ATOM 0 HB2 GLU B 56 4.731 -27.286 0.956 1.00 0.00 H new ATOM 0 HB3 GLU B 56 4.947 -27.901 2.583 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.427 -29.532 2.286 1.00 0.00 H new ATOM 0 HG3 GLU B 56 2.250 -28.431 1.599 1.00 0.00 H new ATOM 1069 N VAL B 57 2.387 -25.960 0.276 1.00 0.00 N ATOM 1070 CA VAL B 57 1.973 -25.163 -0.873 1.00 0.00 C ATOM 1071 C VAL B 57 1.268 -23.880 -0.441 1.00 0.00 C ATOM 1072 O VAL B 57 1.281 -22.879 -1.168 1.00 0.00 O ATOM 1073 CB VAL B 57 1.054 -25.952 -1.826 1.00 0.00 C ATOM 1074 CG1 VAL B 57 0.952 -25.238 -3.167 1.00 0.00 C ATOM 1075 CG2 VAL B 57 1.559 -27.378 -2.009 1.00 0.00 C ATOM 0 H VAL B 57 2.111 -26.941 0.234 1.00 0.00 H new ATOM 0 HA VAL B 57 2.887 -24.906 -1.407 1.00 0.00 H new ATOM 0 HB VAL B 57 0.059 -26.004 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL B 57 0.300 -25.804 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL B 57 0.539 -24.240 -3.018 1.00 0.00 H new ATOM 0 HG13 VAL B 57 1.943 -25.157 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL B 57 0.894 -27.915 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL B 57 2.565 -27.357 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL B 57 1.580 -27.883 -1.043 1.00 0.00 H new ATOM 1085 N GLU B 58 0.680 -23.888 0.756 1.00 0.00 N ATOM 1086 CA GLU B 58 0.012 -22.704 1.262 1.00 0.00 C ATOM 1087 C GLU B 58 1.057 -21.638 1.547 1.00 0.00 C ATOM 1088 O GLU B 58 0.924 -20.486 1.140 1.00 0.00 O ATOM 1089 CB GLU B 58 -0.834 -23.046 2.500 1.00 0.00 C ATOM 1090 CG GLU B 58 -0.222 -22.628 3.822 1.00 0.00 C ATOM 1091 CD GLU B 58 -0.569 -21.202 4.204 1.00 0.00 C ATOM 1092 OE1 GLU B 58 -0.949 -20.424 3.305 1.00 0.00 O ATOM 1093 OE2 GLU B 58 -0.461 -20.865 5.402 1.00 0.00 O ATOM 0 H GLU B 58 0.656 -24.694 1.381 1.00 0.00 H new ATOM 0 HA GLU B 58 -0.681 -22.313 0.516 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -1.809 -22.569 2.400 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -1.006 -24.122 2.519 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -0.565 -23.303 4.606 1.00 0.00 H new ATOM 0 HG3 GLU B 58 0.862 -22.731 3.764 1.00 0.00 H new ATOM 1100 N SER B 59 2.134 -22.051 2.192 1.00 0.00 N ATOM 1101 CA SER B 59 3.232 -21.144 2.469 1.00 0.00 C ATOM 1102 C SER B 59 3.928 -20.798 1.160 1.00 0.00 C ATOM 1103 O SER B 59 4.696 -19.842 1.080 1.00 0.00 O ATOM 1104 CB SER B 59 4.225 -21.778 3.448 1.00 0.00 C ATOM 1105 OG SER B 59 3.571 -22.217 4.626 1.00 0.00 O ATOM 0 H SER B 59 2.271 -23.003 2.532 1.00 0.00 H new ATOM 0 HA SER B 59 2.842 -20.236 2.929 1.00 0.00 H new ATOM 0 HB2 SER B 59 4.724 -22.621 2.970 1.00 0.00 H new ATOM 0 HB3 SER B 59 4.998 -21.054 3.706 1.00 0.00 H new ATOM 0 HG SER B 59 4.226 -22.619 5.233 1.00 0.00 H new ATOM 1111 N ARG B 60 3.644 -21.598 0.130 1.00 0.00 N ATOM 1112 CA ARG B 60 4.226 -21.400 -1.182 1.00 0.00 C ATOM 1113 C ARG B 60 3.617 -20.204 -1.885 1.00 0.00 C ATOM 1114 O ARG B 60 4.257 -19.156 -2.001 1.00 0.00 O ATOM 1115 CB ARG B 60 4.039 -22.653 -2.038 1.00 0.00 C ATOM 1116 CG ARG B 60 5.016 -22.752 -3.198 1.00 0.00 C ATOM 1117 CD ARG B 60 6.020 -23.877 -2.993 1.00 0.00 C ATOM 1118 NE ARG B 60 6.561 -23.890 -1.635 1.00 0.00 N ATOM 1119 CZ ARG B 60 7.419 -24.803 -1.189 1.00 0.00 C ATOM 1120 NH1 ARG B 60 7.838 -25.777 -1.988 1.00 0.00 N ATOM 1121 NH2 ARG B 60 7.862 -24.744 0.060 1.00 0.00 N ATOM 0 H ARG B 60 3.008 -22.393 0.189 1.00 0.00 H new ATOM 0 HA ARG B 60 5.290 -21.208 -1.046 1.00 0.00 H new ATOM 0 HB2 ARG B 60 4.149 -23.534 -1.406 1.00 0.00 H new ATOM 0 HB3 ARG B 60 3.022 -22.667 -2.429 1.00 0.00 H new ATOM 0 HG2 ARG B 60 4.466 -22.919 -4.124 1.00 0.00 H new ATOM 0 HG3 ARG B 60 5.547 -21.806 -3.309 1.00 0.00 H new ATOM 0 HD2 ARG B 60 5.540 -24.833 -3.201 1.00 0.00 H new ATOM 0 HD3 ARG B 60 6.836 -23.768 -3.707 1.00 0.00 H new ATOM 0 HE ARG B 60 6.263 -23.156 -0.992 1.00 0.00 H new ATOM 0 HH11 ARG B 60 7.502 -25.828 -2.950 1.00 0.00 H new ATOM 0 HH12 ARG B 60 8.496 -26.474 -1.640 1.00 0.00 H new ATOM 0 HH21 ARG B 60 7.545 -23.998 0.679 1.00 0.00 H new ATOM 0 HH22 ARG B 60 8.520 -25.445 0.401 1.00 0.00 H new ATOM 1135 N LEU B 61 2.382 -20.343 -2.365 1.00 0.00 N ATOM 1136 CA LEU B 61 1.754 -19.229 -3.053 1.00 0.00 C ATOM 1137 C LEU B 61 1.609 -18.053 -2.104 1.00 0.00 C ATOM 1138 O LEU B 61 1.658 -16.895 -2.520 1.00 0.00 O ATOM 1139 CB LEU B 61 0.422 -19.637 -3.666 1.00 0.00 C ATOM 1140 CG LEU B 61 0.517 -19.982 -5.152 1.00 0.00 C ATOM 1141 CD1 LEU B 61 0.879 -18.746 -5.962 1.00 0.00 C ATOM 1142 CD2 LEU B 61 1.546 -21.079 -5.376 1.00 0.00 C ATOM 0 H LEU B 61 1.816 -21.189 -2.292 1.00 0.00 H new ATOM 0 HA LEU B 61 2.393 -18.920 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU B 61 0.030 -20.498 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -0.294 -18.826 -3.534 1.00 0.00 H new ATOM 0 HG LEU B 61 -0.456 -20.343 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU B 61 0.943 -19.009 -7.018 1.00 0.00 H new ATOM 0 HD12 LEU B 61 0.113 -17.983 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU B 61 1.841 -18.359 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU B 61 1.602 -21.314 -6.439 1.00 0.00 H new ATOM 0 HD22 LEU B 61 2.521 -20.740 -5.027 1.00 0.00 H new ATOM 0 HD23 LEU B 61 1.253 -21.971 -4.823 1.00 0.00 H new ATOM 1154 N GLU B 62 1.490 -18.353 -0.815 1.00 0.00 N ATOM 1155 CA GLU B 62 1.406 -17.305 0.186 1.00 0.00 C ATOM 1156 C GLU B 62 2.728 -16.545 0.200 1.00 0.00 C ATOM 1157 O GLU B 62 2.754 -15.315 0.302 1.00 0.00 O ATOM 1158 CB GLU B 62 1.109 -17.890 1.565 1.00 0.00 C ATOM 1159 CG GLU B 62 1.015 -16.845 2.665 1.00 0.00 C ATOM 1160 CD GLU B 62 -0.198 -17.038 3.553 1.00 0.00 C ATOM 1161 OE1 GLU B 62 -0.182 -17.969 4.386 1.00 0.00 O ATOM 1162 OE2 GLU B 62 -1.165 -16.257 3.417 1.00 0.00 O ATOM 0 H GLU B 62 1.450 -19.303 -0.445 1.00 0.00 H new ATOM 0 HA GLU B 62 0.590 -16.627 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU B 62 0.171 -18.443 1.521 1.00 0.00 H new ATOM 0 HB3 GLU B 62 1.890 -18.606 1.822 1.00 0.00 H new ATOM 0 HG2 GLU B 62 1.917 -16.884 3.276 1.00 0.00 H new ATOM 0 HG3 GLU B 62 0.977 -15.853 2.216 1.00 0.00 H new ATOM 1169 N ARG B 63 3.829 -17.292 0.050 1.00 0.00 N ATOM 1170 CA ARG B 63 5.148 -16.681 -0.001 1.00 0.00 C ATOM 1171 C ARG B 63 5.260 -15.849 -1.270 1.00 0.00 C ATOM 1172 O ARG B 63 5.983 -14.854 -1.316 1.00 0.00 O ATOM 1173 CB ARG B 63 6.242 -17.750 0.032 1.00 0.00 C ATOM 1174 CG ARG B 63 7.651 -17.192 -0.094 1.00 0.00 C ATOM 1175 CD ARG B 63 8.575 -18.159 -0.817 1.00 0.00 C ATOM 1176 NE ARG B 63 9.285 -19.039 0.112 1.00 0.00 N ATOM 1177 CZ ARG B 63 8.815 -20.210 0.537 1.00 0.00 C ATOM 1178 NH1 ARG B 63 7.631 -20.651 0.130 1.00 0.00 N ATOM 1179 NH2 ARG B 63 9.532 -20.946 1.376 1.00 0.00 N ATOM 0 H ARG B 63 3.826 -18.308 -0.037 1.00 0.00 H new ATOM 0 HA ARG B 63 5.280 -16.040 0.870 1.00 0.00 H new ATOM 0 HB2 ARG B 63 6.164 -18.307 0.966 1.00 0.00 H new ATOM 0 HB3 ARG B 63 6.068 -18.459 -0.778 1.00 0.00 H new ATOM 0 HG2 ARG B 63 7.621 -16.245 -0.633 1.00 0.00 H new ATOM 0 HG3 ARG B 63 8.049 -16.981 0.898 1.00 0.00 H new ATOM 0 HD2 ARG B 63 7.994 -18.762 -1.515 1.00 0.00 H new ATOM 0 HD3 ARG B 63 9.298 -17.596 -1.407 1.00 0.00 H new ATOM 0 HE ARG B 63 10.197 -18.736 0.455 1.00 0.00 H new ATOM 0 HH11 ARG B 63 7.072 -20.091 -0.514 1.00 0.00 H new ATOM 0 HH12 ARG B 63 7.280 -21.549 0.461 1.00 0.00 H new ATOM 0 HH21 ARG B 63 10.442 -20.615 1.695 1.00 0.00 H new ATOM 0 HH22 ARG B 63 9.173 -21.843 1.702 1.00 0.00 H new ATOM 1193 N LEU B 64 4.510 -16.255 -2.294 1.00 0.00 N ATOM 1194 CA LEU B 64 4.492 -15.540 -3.562 1.00 0.00 C ATOM 1195 C LEU B 64 3.724 -14.236 -3.401 1.00 0.00 C ATOM 1196 O LEU B 64 3.974 -13.254 -4.098 1.00 0.00 O ATOM 1197 CB LEU B 64 3.864 -16.415 -4.655 1.00 0.00 C ATOM 1198 CG LEU B 64 3.139 -15.665 -5.775 1.00 0.00 C ATOM 1199 CD1 LEU B 64 3.231 -16.438 -7.085 1.00 0.00 C ATOM 1200 CD2 LEU B 64 1.683 -15.422 -5.396 1.00 0.00 C ATOM 0 H LEU B 64 3.907 -17.077 -2.266 1.00 0.00 H new ATOM 0 HA LEU B 64 5.514 -15.308 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU B 64 4.649 -17.025 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU B 64 3.157 -17.099 -4.185 1.00 0.00 H new ATOM 0 HG LEU B 64 3.625 -14.699 -5.914 1.00 0.00 H new ATOM 0 HD11 LEU B 64 2.710 -15.889 -7.869 1.00 0.00 H new ATOM 0 HD12 LEU B 64 4.278 -16.560 -7.362 1.00 0.00 H new ATOM 0 HD13 LEU B 64 2.771 -17.419 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU B 64 1.181 -14.888 -6.203 1.00 0.00 H new ATOM 0 HD22 LEU B 64 1.186 -16.378 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU B 64 1.639 -14.827 -4.484 1.00 0.00 H new ATOM 1212 N GLU B 65 2.798 -14.248 -2.459 1.00 0.00 N ATOM 1213 CA GLU B 65 1.982 -13.082 -2.156 1.00 0.00 C ATOM 1214 C GLU B 65 2.779 -12.091 -1.323 1.00 0.00 C ATOM 1215 O GLU B 65 2.606 -10.878 -1.446 1.00 0.00 O ATOM 1216 CB GLU B 65 0.720 -13.501 -1.401 1.00 0.00 C ATOM 1217 CG GLU B 65 -0.184 -12.336 -1.029 1.00 0.00 C ATOM 1218 CD GLU B 65 -0.260 -12.111 0.468 1.00 0.00 C ATOM 1219 OE1 GLU B 65 0.807 -11.985 1.104 1.00 0.00 O ATOM 1220 OE2 GLU B 65 -1.386 -12.065 1.004 1.00 0.00 O ATOM 0 H GLU B 65 2.589 -15.063 -1.883 1.00 0.00 H new ATOM 0 HA GLU B 65 1.690 -12.606 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU B 65 0.157 -14.205 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU B 65 1.009 -14.030 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU B 65 0.182 -11.429 -1.511 1.00 0.00 H new ATOM 0 HG3 GLU B 65 -1.186 -12.521 -1.416 1.00 0.00 H new ATOM 1227 N GLN B 66 3.663 -12.618 -0.482 1.00 0.00 N ATOM 1228 CA GLN B 66 4.502 -11.780 0.365 1.00 0.00 C ATOM 1229 C GLN B 66 5.668 -11.205 -0.435 1.00 0.00 C ATOM 1230 O GLN B 66 6.240 -10.178 -0.067 1.00 0.00 O ATOM 1231 CB GLN B 66 5.030 -12.585 1.553 1.00 0.00 C ATOM 1232 CG GLN B 66 3.973 -12.880 2.602 1.00 0.00 C ATOM 1233 CD GLN B 66 3.615 -11.659 3.424 1.00 0.00 C ATOM 1234 OE1 GLN B 66 4.133 -11.463 4.523 1.00 0.00 O ATOM 1235 NE2 GLN B 66 2.726 -10.828 2.894 1.00 0.00 N ATOM 0 H GLN B 66 3.816 -13.620 -0.369 1.00 0.00 H new ATOM 0 HA GLN B 66 3.895 -10.955 0.739 1.00 0.00 H new ATOM 0 HB2 GLN B 66 5.442 -13.526 1.189 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.849 -12.037 2.018 1.00 0.00 H new ATOM 0 HG2 GLN B 66 3.076 -13.260 2.113 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.333 -13.667 3.264 1.00 0.00 H new ATOM 0 HE21 GLN B 66 2.321 -11.029 1.980 1.00 0.00 H new ATOM 0 HE22 GLN B 66 2.447 -9.988 3.401 1.00 0.00 H new ATOM 1244 N LEU B 67 6.015 -11.875 -1.530 1.00 0.00 N ATOM 1245 CA LEU B 67 7.111 -11.435 -2.387 1.00 0.00 C ATOM 1246 C LEU B 67 6.680 -10.268 -3.269 1.00 0.00 C ATOM 1247 O LEU B 67 7.496 -9.424 -3.639 1.00 0.00 O ATOM 1248 CB LEU B 67 7.598 -12.596 -3.258 1.00 0.00 C ATOM 1249 CG LEU B 67 8.938 -12.367 -3.963 1.00 0.00 C ATOM 1250 CD1 LEU B 67 8.781 -11.371 -5.100 1.00 0.00 C ATOM 1251 CD2 LEU B 67 9.990 -11.890 -2.972 1.00 0.00 C ATOM 0 H LEU B 67 5.551 -12.727 -1.845 1.00 0.00 H new ATOM 0 HA LEU B 67 7.928 -11.099 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU B 67 7.681 -13.486 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU B 67 6.840 -12.805 -4.013 1.00 0.00 H new ATOM 0 HG LEU B 67 9.271 -13.316 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU B 67 9.744 -11.222 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU B 67 8.063 -11.756 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU B 67 8.424 -10.420 -4.704 1.00 0.00 H new ATOM 0 HD21 LEU B 67 10.935 -11.733 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU B 67 9.665 -10.953 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU B 67 10.124 -12.642 -2.194 1.00 0.00 H new ATOM 1263 N PHE B 68 5.391 -10.224 -3.603 1.00 0.00 N ATOM 1264 CA PHE B 68 4.853 -9.158 -4.444 1.00 0.00 C ATOM 1265 C PHE B 68 5.311 -9.325 -5.892 1.00 0.00 C ATOM 1266 O PHE B 68 5.809 -10.384 -6.275 1.00 0.00 O ATOM 1267 CB PHE B 68 5.286 -7.786 -3.913 1.00 0.00 C ATOM 1268 CG PHE B 68 4.138 -6.870 -3.593 1.00 0.00 C ATOM 1269 CD1 PHE B 68 3.047 -6.778 -4.443 1.00 0.00 C ATOM 1270 CD2 PHE B 68 4.152 -6.100 -2.442 1.00 0.00 C ATOM 1271 CE1 PHE B 68 1.993 -5.934 -4.151 1.00 0.00 C ATOM 1272 CE2 PHE B 68 3.100 -5.254 -2.144 1.00 0.00 C ATOM 1273 CZ PHE B 68 2.019 -5.172 -2.999 1.00 0.00 C ATOM 0 H PHE B 68 4.701 -10.914 -3.304 1.00 0.00 H new ATOM 0 HA PHE B 68 3.765 -9.221 -4.415 1.00 0.00 H new ATOM 0 HB2 PHE B 68 5.887 -7.928 -3.015 1.00 0.00 H new ATOM 0 HB3 PHE B 68 5.927 -7.306 -4.653 1.00 0.00 H new ATOM 0 HD1 PHE B 68 3.021 -7.373 -5.344 1.00 0.00 H new ATOM 0 HD2 PHE B 68 4.995 -6.161 -1.769 1.00 0.00 H new ATOM 0 HE1 PHE B 68 1.150 -5.870 -4.823 1.00 0.00 H new ATOM 0 HE2 PHE B 68 3.124 -4.658 -1.244 1.00 0.00 H new ATOM 0 HZ PHE B 68 1.195 -4.513 -2.768 1.00 0.00 H new ATOM 1283 N LEU B 69 5.140 -8.265 -6.689 1.00 0.00 N ATOM 1284 CA LEU B 69 5.535 -8.266 -8.101 1.00 0.00 C ATOM 1285 C LEU B 69 4.432 -8.823 -9.001 1.00 0.00 C ATOM 1286 O LEU B 69 4.283 -8.394 -10.147 1.00 0.00 O ATOM 1287 CB LEU B 69 6.832 -9.058 -8.310 1.00 0.00 C ATOM 1288 CG LEU B 69 7.817 -8.435 -9.302 1.00 0.00 C ATOM 1289 CD1 LEU B 69 9.249 -8.614 -8.819 1.00 0.00 C ATOM 1290 CD2 LEU B 69 7.640 -9.047 -10.683 1.00 0.00 C ATOM 0 H LEU B 69 4.726 -7.387 -6.376 1.00 0.00 H new ATOM 0 HA LEU B 69 5.707 -7.227 -8.382 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.331 -9.170 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.577 -10.060 -8.655 1.00 0.00 H new ATOM 0 HG LEU B 69 7.609 -7.367 -9.368 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.934 -8.165 -9.538 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.370 -8.129 -7.850 1.00 0.00 H new ATOM 0 HD13 LEU B 69 9.470 -9.677 -8.723 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.348 -8.593 -11.376 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.821 -10.121 -10.631 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.624 -8.867 -11.033 1.00 0.00 H new ATOM 1302 N LEU B 70 3.663 -9.782 -8.492 1.00 0.00 N ATOM 1303 CA LEU B 70 2.587 -10.385 -9.265 1.00 0.00 C ATOM 1304 C LEU B 70 1.218 -10.046 -8.669 1.00 0.00 C ATOM 1305 O LEU B 70 0.192 -10.204 -9.330 1.00 0.00 O ATOM 1306 CB LEU B 70 2.798 -11.903 -9.350 1.00 0.00 C ATOM 1307 CG LEU B 70 1.578 -12.755 -9.024 1.00 0.00 C ATOM 1308 CD1 LEU B 70 0.688 -12.907 -10.249 1.00 0.00 C ATOM 1309 CD2 LEU B 70 1.998 -14.116 -8.493 1.00 0.00 C ATOM 0 H LEU B 70 3.767 -10.156 -7.549 1.00 0.00 H new ATOM 0 HA LEU B 70 2.607 -9.973 -10.274 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.133 -12.150 -10.358 1.00 0.00 H new ATOM 0 HB3 LEU B 70 3.604 -12.179 -8.670 1.00 0.00 H new ATOM 0 HG LEU B 70 1.006 -12.249 -8.246 1.00 0.00 H new ATOM 0 HD11 LEU B 70 -0.178 -13.519 -9.996 1.00 0.00 H new ATOM 0 HD12 LEU B 70 0.354 -11.924 -10.580 1.00 0.00 H new ATOM 0 HD13 LEU B 70 1.250 -13.388 -11.050 1.00 0.00 H new ATOM 0 HD21 LEU B 70 1.111 -14.708 -8.267 1.00 0.00 H new ATOM 0 HD22 LEU B 70 2.596 -14.631 -9.245 1.00 0.00 H new ATOM 0 HD23 LEU B 70 2.589 -13.986 -7.586 1.00 0.00 H new ATOM 1321 N ILE B 71 1.203 -9.582 -7.421 1.00 0.00 N ATOM 1322 CA ILE B 71 -0.045 -9.230 -6.752 1.00 0.00 C ATOM 1323 C ILE B 71 -0.885 -8.284 -7.605 1.00 0.00 C ATOM 1324 O ILE B 71 -2.112 -8.382 -7.632 1.00 0.00 O ATOM 1325 CB ILE B 71 0.216 -8.579 -5.377 1.00 0.00 C ATOM 1326 CG1 ILE B 71 1.039 -9.518 -4.492 1.00 0.00 C ATOM 1327 CG2 ILE B 71 -1.100 -8.223 -4.696 1.00 0.00 C ATOM 1328 CD1 ILE B 71 1.355 -8.943 -3.128 1.00 0.00 C ATOM 0 H ILE B 71 2.040 -9.442 -6.855 1.00 0.00 H new ATOM 0 HA ILE B 71 -0.595 -10.159 -6.605 1.00 0.00 H new ATOM 0 HB ILE B 71 0.783 -7.661 -5.531 1.00 0.00 H new ATOM 0 HG12 ILE B 71 0.495 -10.454 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE B 71 1.972 -9.758 -5.001 1.00 0.00 H new ATOM 0 HG21 ILE B 71 -0.897 -7.765 -3.728 1.00 0.00 H new ATOM 0 HG22 ILE B 71 -1.654 -7.522 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE B 71 -1.692 -9.127 -4.553 1.00 0.00 H new ATOM 0 HD11 ILE B 71 1.940 -9.663 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE B 71 1.926 -8.022 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE B 71 0.426 -8.729 -2.599 1.00 0.00 H new ATOM 1340 N PHE B 72 -0.220 -7.370 -8.304 1.00 0.00 N ATOM 1341 CA PHE B 72 -0.910 -6.411 -9.158 1.00 0.00 C ATOM 1342 C PHE B 72 -0.667 -6.726 -10.633 1.00 0.00 C ATOM 1343 O PHE B 72 0.432 -7.127 -11.016 1.00 0.00 O ATOM 1344 CB PHE B 72 -0.446 -4.989 -8.843 1.00 0.00 C ATOM 1345 CG PHE B 72 -1.550 -3.971 -8.896 1.00 0.00 C ATOM 1346 CD1 PHE B 72 -2.517 -3.925 -7.905 1.00 0.00 C ATOM 1347 CD2 PHE B 72 -1.621 -3.062 -9.938 1.00 0.00 C ATOM 1348 CE1 PHE B 72 -3.534 -2.990 -7.952 1.00 0.00 C ATOM 1349 CE2 PHE B 72 -2.635 -2.126 -9.992 1.00 0.00 C ATOM 1350 CZ PHE B 72 -3.593 -2.089 -8.999 1.00 0.00 C ATOM 0 H PHE B 72 0.795 -7.273 -8.296 1.00 0.00 H new ATOM 0 HA PHE B 72 -1.979 -6.487 -8.960 1.00 0.00 H new ATOM 0 HB2 PHE B 72 0.004 -4.974 -7.850 1.00 0.00 H new ATOM 0 HB3 PHE B 72 0.333 -4.705 -9.550 1.00 0.00 H new ATOM 0 HD1 PHE B 72 -2.476 -4.628 -7.086 1.00 0.00 H new ATOM 0 HD2 PHE B 72 -0.874 -3.085 -10.718 1.00 0.00 H new ATOM 0 HE1 PHE B 72 -4.281 -2.963 -7.172 1.00 0.00 H new ATOM 0 HE2 PHE B 72 -2.678 -1.423 -10.811 1.00 0.00 H new ATOM 0 HZ PHE B 72 -4.387 -1.358 -9.040 1.00 0.00 H new ATOM 1360 N PRO B 73 -1.693 -6.550 -11.486 1.00 0.00 N ATOM 1361 CA PRO B 73 -1.577 -6.820 -12.922 1.00 0.00 C ATOM 1362 C PRO B 73 -0.670 -5.819 -13.629 1.00 0.00 C ATOM 1363 O PRO B 73 -0.039 -6.140 -14.635 1.00 0.00 O ATOM 1364 CB PRO B 73 -3.016 -6.689 -13.428 1.00 0.00 C ATOM 1365 CG PRO B 73 -3.682 -5.787 -12.448 1.00 0.00 C ATOM 1366 CD PRO B 73 -3.041 -6.075 -11.119 1.00 0.00 C ATOM 0 HA PRO B 73 -1.131 -7.795 -13.117 1.00 0.00 H new ATOM 0 HB2 PRO B 73 -3.045 -6.271 -14.434 1.00 0.00 H new ATOM 0 HB3 PRO B 73 -3.510 -7.660 -13.472 1.00 0.00 H new ATOM 0 HG2 PRO B 73 -3.549 -4.742 -12.727 1.00 0.00 H new ATOM 0 HG3 PRO B 73 -4.755 -5.974 -12.412 1.00 0.00 H new ATOM 0 HD2 PRO B 73 -2.996 -5.184 -10.493 1.00 0.00 H new ATOM 0 HD3 PRO B 73 -3.595 -6.830 -10.561 1.00 0.00 H new ATOM 1374 N ARG B 74 -0.608 -4.604 -13.091 1.00 0.00 N ATOM 1375 CA ARG B 74 0.225 -3.555 -13.669 1.00 0.00 C ATOM 1376 C ARG B 74 1.392 -3.217 -12.746 1.00 0.00 C ATOM 1377 O ARG B 74 1.535 -3.799 -11.671 1.00 0.00 O ATOM 1378 CB ARG B 74 -0.610 -2.302 -13.940 1.00 0.00 C ATOM 1379 CG ARG B 74 -0.413 -1.730 -15.335 1.00 0.00 C ATOM 1380 CD ARG B 74 -1.444 -0.660 -15.649 1.00 0.00 C ATOM 1381 NE ARG B 74 -2.804 -1.195 -15.657 1.00 0.00 N ATOM 1382 CZ ARG B 74 -3.894 -0.444 -15.796 1.00 0.00 C ATOM 1383 NH1 ARG B 74 -3.789 0.872 -15.937 1.00 0.00 N ATOM 1384 NH2 ARG B 74 -5.094 -1.009 -15.791 1.00 0.00 N ATOM 0 H ARG B 74 -1.124 -4.322 -12.257 1.00 0.00 H new ATOM 0 HA ARG B 74 0.628 -3.923 -14.613 1.00 0.00 H new ATOM 0 HB2 ARG B 74 -1.664 -2.541 -13.800 1.00 0.00 H new ATOM 0 HB3 ARG B 74 -0.355 -1.539 -13.204 1.00 0.00 H new ATOM 0 HG2 ARG B 74 0.588 -1.307 -15.418 1.00 0.00 H new ATOM 0 HG3 ARG B 74 -0.483 -2.531 -16.071 1.00 0.00 H new ATOM 0 HD2 ARG B 74 -1.373 0.139 -14.911 1.00 0.00 H new ATOM 0 HD3 ARG B 74 -1.223 -0.218 -16.620 1.00 0.00 H new ATOM 0 HE ARG B 74 -2.925 -2.202 -15.550 1.00 0.00 H new ATOM 0 HH11 ARG B 74 -2.869 1.313 -15.939 1.00 0.00 H new ATOM 0 HH12 ARG B 74 -4.628 1.442 -16.043 1.00 0.00 H new ATOM 0 HH21 ARG B 74 -5.182 -2.019 -15.681 1.00 0.00 H new ATOM 0 HH22 ARG B 74 -5.929 -0.433 -15.898 1.00 0.00 H new ATOM 1398 N GLU B 75 2.224 -2.273 -13.175 1.00 0.00 N ATOM 1399 CA GLU B 75 3.377 -1.859 -12.386 1.00 0.00 C ATOM 1400 C GLU B 75 3.037 -0.657 -11.511 1.00 0.00 C ATOM 1401 O GLU B 75 3.126 -0.724 -10.284 1.00 0.00 O ATOM 1402 CB GLU B 75 4.553 -1.519 -13.303 1.00 0.00 C ATOM 1403 CG GLU B 75 5.826 -1.163 -12.552 1.00 0.00 C ATOM 1404 CD GLU B 75 6.888 -0.568 -13.455 1.00 0.00 C ATOM 1405 OE1 GLU B 75 7.368 -1.284 -14.360 1.00 0.00 O ATOM 1406 OE2 GLU B 75 7.241 0.613 -13.259 1.00 0.00 O ATOM 0 H GLU B 75 2.121 -1.782 -14.063 1.00 0.00 H new ATOM 0 HA GLU B 75 3.657 -2.689 -11.738 1.00 0.00 H new ATOM 0 HB2 GLU B 75 4.752 -2.369 -13.956 1.00 0.00 H new ATOM 0 HB3 GLU B 75 4.273 -0.683 -13.944 1.00 0.00 H new ATOM 0 HG2 GLU B 75 5.589 -0.454 -11.759 1.00 0.00 H new ATOM 0 HG3 GLU B 75 6.222 -2.058 -12.072 1.00 0.00 H new ATOM 1413 N ASP B 76 2.648 0.443 -12.148 1.00 0.00 N ATOM 1414 CA ASP B 76 2.294 1.660 -11.426 1.00 0.00 C ATOM 1415 C ASP B 76 0.871 1.574 -10.881 1.00 0.00 C ATOM 1416 O ASP B 76 0.040 0.834 -11.406 1.00 0.00 O ATOM 1417 CB ASP B 76 2.430 2.878 -12.342 1.00 0.00 C ATOM 1418 CG ASP B 76 3.004 4.083 -11.622 1.00 0.00 C ATOM 1419 OD1 ASP B 76 2.307 4.635 -10.743 1.00 0.00 O ATOM 1420 OD2 ASP B 76 4.146 4.474 -11.937 1.00 0.00 O ATOM 0 H ASP B 76 2.570 0.517 -13.162 1.00 0.00 H new ATOM 0 HA ASP B 76 2.980 1.768 -10.586 1.00 0.00 H new ATOM 0 HB2 ASP B 76 3.070 2.624 -13.187 1.00 0.00 H new ATOM 0 HB3 ASP B 76 1.452 3.134 -12.749 1.00 0.00 H new ATOM 1425 N LEU B 77 0.600 2.338 -9.829 1.00 0.00 N ATOM 1426 CA LEU B 77 -0.724 2.349 -9.213 1.00 0.00 C ATOM 1427 C LEU B 77 -1.440 3.667 -9.492 1.00 0.00 C ATOM 1428 O LEU B 77 -2.300 3.742 -10.370 1.00 0.00 O ATOM 1429 CB LEU B 77 -0.609 2.121 -7.704 1.00 0.00 C ATOM 1430 CG LEU B 77 -0.654 0.656 -7.268 1.00 0.00 C ATOM 1431 CD1 LEU B 77 0.219 0.437 -6.041 1.00 0.00 C ATOM 1432 CD2 LEU B 77 -2.087 0.229 -6.988 1.00 0.00 C ATOM 0 H LEU B 77 1.278 2.957 -9.384 1.00 0.00 H new ATOM 0 HA LEU B 77 -1.310 1.540 -9.649 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.326 2.560 -7.355 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -1.418 2.657 -7.208 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.264 0.042 -8.080 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.175 -0.611 -5.745 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.249 0.705 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.141 1.061 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -2.101 -0.816 -6.679 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -2.502 0.848 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -2.685 0.348 -7.891 1.00 0.00 H new ATOM 1444 N ASP B 78 -1.079 4.705 -8.741 1.00 0.00 N ATOM 1445 CA ASP B 78 -1.685 6.027 -8.906 1.00 0.00 C ATOM 1446 C ASP B 78 -3.114 6.056 -8.368 1.00 0.00 C ATOM 1447 O ASP B 78 -3.438 6.858 -7.492 1.00 0.00 O ATOM 1448 CB ASP B 78 -1.674 6.445 -10.379 1.00 0.00 C ATOM 1449 CG ASP B 78 -0.345 6.162 -11.054 1.00 0.00 C ATOM 1450 OD1 ASP B 78 0.692 6.637 -10.544 1.00 0.00 O ATOM 1451 OD2 ASP B 78 -0.342 5.468 -12.091 1.00 0.00 O ATOM 0 H ASP B 78 -0.369 4.657 -8.011 1.00 0.00 H new ATOM 0 HA ASP B 78 -1.089 6.735 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -2.467 5.917 -10.909 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -1.896 7.510 -10.453 1.00 0.00 H new ATOM 1456 N MET B 79 -3.967 5.183 -8.904 1.00 0.00 N ATOM 1457 CA MET B 79 -5.367 5.110 -8.487 1.00 0.00 C ATOM 1458 C MET B 79 -5.510 5.181 -6.968 1.00 0.00 C ATOM 1459 O MET B 79 -6.255 6.010 -6.446 1.00 0.00 O ATOM 1460 CB MET B 79 -6.007 3.821 -9.008 1.00 0.00 C ATOM 1461 CG MET B 79 -6.546 3.939 -10.423 1.00 0.00 C ATOM 1462 SD MET B 79 -6.503 2.372 -11.315 1.00 0.00 S ATOM 1463 CE MET B 79 -5.151 2.668 -12.454 1.00 0.00 C ATOM 0 H MET B 79 -3.711 4.514 -9.631 1.00 0.00 H new ATOM 0 HA MET B 79 -5.881 5.971 -8.913 1.00 0.00 H new ATOM 0 HB2 MET B 79 -5.269 3.020 -8.975 1.00 0.00 H new ATOM 0 HB3 MET B 79 -6.820 3.533 -8.341 1.00 0.00 H new ATOM 0 HG2 MET B 79 -7.572 4.304 -10.388 1.00 0.00 H new ATOM 0 HG3 MET B 79 -5.962 4.680 -10.969 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.001 1.786 -13.077 1.00 0.00 H new ATOM 0 HE2 MET B 79 -5.389 3.523 -13.087 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.240 2.875 -11.892 1.00 0.00 H new ATOM 1473 N ILE B 80 -4.797 4.308 -6.265 1.00 0.00 N ATOM 1474 CA ILE B 80 -4.851 4.277 -4.807 1.00 0.00 C ATOM 1475 C ILE B 80 -4.376 5.601 -4.212 1.00 0.00 C ATOM 1476 O ILE B 80 -4.822 6.005 -3.138 1.00 0.00 O ATOM 1477 CB ILE B 80 -3.994 3.129 -4.237 1.00 0.00 C ATOM 1478 CG1 ILE B 80 -4.432 1.793 -4.840 1.00 0.00 C ATOM 1479 CG2 ILE B 80 -4.095 3.088 -2.719 1.00 0.00 C ATOM 1480 CD1 ILE B 80 -3.614 0.615 -4.359 1.00 0.00 C ATOM 0 H ILE B 80 -4.176 3.613 -6.680 1.00 0.00 H new ATOM 0 HA ILE B 80 -5.892 4.112 -4.531 1.00 0.00 H new ATOM 0 HB ILE B 80 -2.953 3.307 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -5.480 1.620 -4.597 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -4.363 1.854 -5.926 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -3.483 2.271 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -3.741 4.032 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -5.134 2.931 -2.428 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -3.981 -0.298 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -2.568 0.765 -4.626 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -3.703 0.528 -3.276 1.00 0.00 H new ATOM 1492 N LEU B 81 -3.470 6.267 -4.918 1.00 0.00 N ATOM 1493 CA LEU B 81 -2.931 7.543 -4.463 1.00 0.00 C ATOM 1494 C LEU B 81 -3.961 8.658 -4.613 1.00 0.00 C ATOM 1495 O LEU B 81 -3.926 9.648 -3.883 1.00 0.00 O ATOM 1496 CB LEU B 81 -1.663 7.900 -5.246 1.00 0.00 C ATOM 1497 CG LEU B 81 -0.806 6.708 -5.685 1.00 0.00 C ATOM 1498 CD1 LEU B 81 0.498 7.188 -6.301 1.00 0.00 C ATOM 1499 CD2 LEU B 81 -0.534 5.784 -4.507 1.00 0.00 C ATOM 0 H LEU B 81 -3.093 5.944 -5.809 1.00 0.00 H new ATOM 0 HA LEU B 81 -2.682 7.441 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -1.951 8.465 -6.132 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -1.050 8.560 -4.632 1.00 0.00 H new ATOM 0 HG LEU B 81 -1.356 6.147 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU B 81 1.094 6.328 -6.607 1.00 0.00 H new ATOM 0 HD12 LEU B 81 0.283 7.808 -7.171 1.00 0.00 H new ATOM 0 HD13 LEU B 81 1.054 7.772 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU B 81 0.076 4.943 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -0.004 6.333 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -1.479 5.413 -4.110 1.00 0.00 H new ATOM 1511 N LYS B 82 -4.876 8.493 -5.562 1.00 0.00 N ATOM 1512 CA LYS B 82 -5.914 9.488 -5.806 1.00 0.00 C ATOM 1513 C LYS B 82 -7.172 9.184 -4.996 1.00 0.00 C ATOM 1514 O LYS B 82 -8.007 10.063 -4.778 1.00 0.00 O ATOM 1515 CB LYS B 82 -6.253 9.541 -7.297 1.00 0.00 C ATOM 1516 CG LYS B 82 -5.033 9.660 -8.195 1.00 0.00 C ATOM 1517 CD LYS B 82 -5.386 10.294 -9.532 1.00 0.00 C ATOM 1518 CE LYS B 82 -4.335 11.303 -9.965 1.00 0.00 C ATOM 1519 NZ LYS B 82 -2.988 10.683 -10.099 1.00 0.00 N ATOM 0 H LYS B 82 -4.920 7.679 -6.175 1.00 0.00 H new ATOM 0 HA LYS B 82 -5.532 10.458 -5.489 1.00 0.00 H new ATOM 0 HB2 LYS B 82 -6.806 8.642 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS B 82 -6.913 10.389 -7.481 1.00 0.00 H new ATOM 0 HG2 LYS B 82 -4.270 10.259 -7.697 1.00 0.00 H new ATOM 0 HG3 LYS B 82 -4.604 8.672 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS B 82 -5.480 9.517 -10.291 1.00 0.00 H new ATOM 0 HD3 LYS B 82 -6.356 10.786 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS B 82 -4.627 11.745 -10.918 1.00 0.00 H new ATOM 0 HE3 LYS B 82 -4.290 12.114 -9.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 -2.327 11.374 -10.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 -2.646 10.390 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 -3.049 9.852 -10.721 1.00 0.00 H new ATOM 1533 N MET B 83 -7.304 7.938 -4.552 1.00 0.00 N ATOM 1534 CA MET B 83 -8.459 7.523 -3.768 1.00 0.00 C ATOM 1535 C MET B 83 -8.181 7.650 -2.273 1.00 0.00 C ATOM 1536 O MET B 83 -9.105 7.760 -1.467 1.00 0.00 O ATOM 1537 CB MET B 83 -8.840 6.080 -4.105 1.00 0.00 C ATOM 1538 CG MET B 83 -9.766 5.959 -5.305 1.00 0.00 C ATOM 1539 SD MET B 83 -10.739 4.442 -5.280 1.00 0.00 S ATOM 1540 CE MET B 83 -9.844 3.446 -6.470 1.00 0.00 C ATOM 0 H MET B 83 -6.623 7.198 -4.723 1.00 0.00 H new ATOM 0 HA MET B 83 -9.290 8.181 -4.021 1.00 0.00 H new ATOM 0 HB2 MET B 83 -7.932 5.509 -4.298 1.00 0.00 H new ATOM 0 HB3 MET B 83 -9.322 5.628 -3.238 1.00 0.00 H new ATOM 0 HG2 MET B 83 -10.438 6.817 -5.329 1.00 0.00 H new ATOM 0 HG3 MET B 83 -9.175 5.992 -6.220 1.00 0.00 H new ATOM 0 HE1 MET B 83 -10.326 2.473 -6.566 1.00 0.00 H new ATOM 0 HE2 MET B 83 -9.844 3.948 -7.438 1.00 0.00 H new ATOM 0 HE3 MET B 83 -8.817 3.310 -6.132 1.00 0.00 H new ATOM 1550 N ASP B 84 -6.903 7.636 -1.907 1.00 0.00 N ATOM 1551 CA ASP B 84 -6.508 7.751 -0.509 1.00 0.00 C ATOM 1552 C ASP B 84 -6.384 9.215 -0.097 1.00 0.00 C ATOM 1553 O ASP B 84 -7.088 9.680 0.799 1.00 0.00 O ATOM 1554 CB ASP B 84 -5.180 7.029 -0.270 1.00 0.00 C ATOM 1555 CG ASP B 84 -5.371 5.553 0.021 1.00 0.00 C ATOM 1556 OD1 ASP B 84 -6.241 4.929 -0.623 1.00 0.00 O ATOM 1557 OD2 ASP B 84 -4.651 5.021 0.892 1.00 0.00 O ATOM 0 H ASP B 84 -6.124 7.546 -2.559 1.00 0.00 H new ATOM 0 HA ASP B 84 -7.282 7.284 0.100 1.00 0.00 H new ATOM 0 HB2 ASP B 84 -4.543 7.145 -1.147 1.00 0.00 H new ATOM 0 HB3 ASP B 84 -4.660 7.497 0.566 1.00 0.00 H new ATOM 1562 N SER B 85 -5.485 9.937 -0.760 1.00 0.00 N ATOM 1563 CA SER B 85 -5.270 11.349 -0.462 1.00 0.00 C ATOM 1564 C SER B 85 -4.423 12.013 -1.544 1.00 0.00 C ATOM 1565 O SER B 85 -3.288 11.606 -1.792 1.00 0.00 O ATOM 1566 CB SER B 85 -4.593 11.506 0.901 1.00 0.00 C ATOM 1567 OG SER B 85 -5.107 12.627 1.601 1.00 0.00 O ATOM 0 H SER B 85 -4.895 9.568 -1.506 1.00 0.00 H new ATOM 0 HA SER B 85 -6.242 11.841 -0.436 1.00 0.00 H new ATOM 0 HB2 SER B 85 -4.746 10.603 1.492 1.00 0.00 H new ATOM 0 HB3 SER B 85 -3.518 11.620 0.765 1.00 0.00 H new ATOM 0 HG SER B 85 -4.659 12.704 2.469 1.00 0.00 H new ATOM 1573 N LEU B 86 -4.982 13.035 -2.184 1.00 0.00 N ATOM 1574 CA LEU B 86 -4.277 13.754 -3.240 1.00 0.00 C ATOM 1575 C LEU B 86 -5.028 15.024 -3.632 1.00 0.00 C ATOM 1576 O LEU B 86 -4.422 16.075 -3.839 1.00 0.00 O ATOM 1577 CB LEU B 86 -4.094 12.858 -4.465 1.00 0.00 C ATOM 1578 CG LEU B 86 -2.805 13.095 -5.255 1.00 0.00 C ATOM 1579 CD1 LEU B 86 -2.261 11.782 -5.796 1.00 0.00 C ATOM 1580 CD2 LEU B 86 -3.047 14.083 -6.386 1.00 0.00 C ATOM 0 H LEU B 86 -5.921 13.384 -1.990 1.00 0.00 H new ATOM 0 HA LEU B 86 -3.297 14.037 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU B 86 -4.118 11.817 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU B 86 -4.943 13.004 -5.133 1.00 0.00 H new ATOM 0 HG LEU B 86 -2.061 13.521 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -1.344 11.971 -6.355 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -2.048 11.107 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -3.000 11.326 -6.455 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -2.120 14.240 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU B 86 -3.807 13.686 -7.059 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -3.388 15.032 -5.973 1.00 0.00 H new ATOM 1592 N ARG B 87 -6.349 14.916 -3.736 1.00 0.00 N ATOM 1593 CA ARG B 87 -7.179 16.055 -4.107 1.00 0.00 C ATOM 1594 C ARG B 87 -7.295 17.045 -2.953 1.00 0.00 C ATOM 1595 O ARG B 87 -7.286 18.256 -3.159 1.00 0.00 O ATOM 1596 CB ARG B 87 -8.571 15.584 -4.533 1.00 0.00 C ATOM 1597 CG ARG B 87 -8.549 14.566 -5.662 1.00 0.00 C ATOM 1598 CD ARG B 87 -9.823 13.739 -5.690 1.00 0.00 C ATOM 1599 NE ARG B 87 -10.094 13.194 -7.019 1.00 0.00 N ATOM 1600 CZ ARG B 87 -11.214 12.552 -7.344 1.00 0.00 C ATOM 1601 NH1 ARG B 87 -12.169 12.372 -6.440 1.00 0.00 N ATOM 1602 NH2 ARG B 87 -11.379 12.090 -8.575 1.00 0.00 N ATOM 0 H ARG B 87 -6.866 14.053 -3.569 1.00 0.00 H new ATOM 0 HA ARG B 87 -6.702 16.560 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG B 87 -9.078 15.148 -3.672 1.00 0.00 H new ATOM 0 HB3 ARG B 87 -9.158 16.448 -4.845 1.00 0.00 H new ATOM 0 HG2 ARG B 87 -8.427 15.081 -6.615 1.00 0.00 H new ATOM 0 HG3 ARG B 87 -7.689 13.907 -5.543 1.00 0.00 H new ATOM 0 HD2 ARG B 87 -9.740 12.922 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG B 87 -10.663 14.357 -5.374 1.00 0.00 H new ATOM 0 HE ARG B 87 -9.383 13.313 -7.740 1.00 0.00 H new ATOM 0 HH11 ARG B 87 -12.047 12.726 -5.491 1.00 0.00 H new ATOM 0 HH12 ARG B 87 -13.025 11.879 -6.694 1.00 0.00 H new ATOM 0 HH21 ARG B 87 -10.648 12.226 -9.273 1.00 0.00 H new ATOM 0 HH22 ARG B 87 -12.237 11.598 -8.824 1.00 0.00 H new ATOM 1616 N ASP B 88 -7.404 16.522 -1.736 1.00 0.00 N ATOM 1617 CA ASP B 88 -7.519 17.365 -0.550 1.00 0.00 C ATOM 1618 C ASP B 88 -6.205 18.085 -0.250 1.00 0.00 C ATOM 1619 O ASP B 88 -6.164 19.004 0.568 1.00 0.00 O ATOM 1620 CB ASP B 88 -7.940 16.524 0.656 1.00 0.00 C ATOM 1621 CG ASP B 88 -9.444 16.374 0.762 1.00 0.00 C ATOM 1622 OD1 ASP B 88 -10.130 17.401 0.950 1.00 0.00 O ATOM 1623 OD2 ASP B 88 -9.936 15.231 0.655 1.00 0.00 O ATOM 0 H ASP B 88 -7.415 15.520 -1.545 1.00 0.00 H new ATOM 0 HA ASP B 88 -8.281 18.119 -0.748 1.00 0.00 H new ATOM 0 HB2 ASP B 88 -7.484 15.537 0.583 1.00 0.00 H new ATOM 0 HB3 ASP B 88 -7.559 16.985 1.567 1.00 0.00 H new ATOM 1628 N ILE B 89 -5.134 17.674 -0.927 1.00 0.00 N ATOM 1629 CA ILE B 89 -3.826 18.283 -0.741 1.00 0.00 C ATOM 1630 C ILE B 89 -3.651 19.413 -1.737 1.00 0.00 C ATOM 1631 O ILE B 89 -3.398 20.558 -1.361 1.00 0.00 O ATOM 1632 CB ILE B 89 -2.687 17.256 -0.917 1.00 0.00 C ATOM 1633 CG1 ILE B 89 -2.856 16.104 0.074 1.00 0.00 C ATOM 1634 CG2 ILE B 89 -1.329 17.924 -0.734 1.00 0.00 C ATOM 1635 CD1 ILE B 89 -4.052 15.223 -0.213 1.00 0.00 C ATOM 0 H ILE B 89 -5.151 16.918 -1.611 1.00 0.00 H new ATOM 0 HA ILE B 89 -3.774 18.667 0.278 1.00 0.00 H new ATOM 0 HB ILE B 89 -2.736 16.854 -1.929 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -1.954 15.492 0.062 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -2.951 16.513 1.080 1.00 0.00 H new ATOM 0 HG21 ILE B 89 -0.539 17.184 -0.862 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -1.209 18.714 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE B 89 -1.266 18.353 0.266 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -4.106 14.429 0.532 1.00 0.00 H new ATOM 0 HD12 ILE B 89 -4.962 15.821 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -3.951 14.784 -1.205 1.00 0.00 H new ATOM 1647 N GLU B 90 -3.825 19.085 -3.013 1.00 0.00 N ATOM 1648 CA GLU B 90 -3.730 20.080 -4.065 1.00 0.00 C ATOM 1649 C GLU B 90 -4.831 21.117 -3.873 1.00 0.00 C ATOM 1650 O GLU B 90 -4.749 22.230 -4.387 1.00 0.00 O ATOM 1651 CB GLU B 90 -3.857 19.420 -5.441 1.00 0.00 C ATOM 1652 CG GLU B 90 -3.733 20.398 -6.598 1.00 0.00 C ATOM 1653 CD GLU B 90 -4.292 19.844 -7.894 1.00 0.00 C ATOM 1654 OE1 GLU B 90 -3.536 19.178 -8.631 1.00 0.00 O ATOM 1655 OE2 GLU B 90 -5.488 20.077 -8.172 1.00 0.00 O ATOM 0 H GLU B 90 -4.032 18.141 -3.339 1.00 0.00 H new ATOM 0 HA GLU B 90 -2.757 20.568 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -3.088 18.654 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -4.821 18.915 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -4.256 21.321 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -2.683 20.655 -6.740 1.00 0.00 H new ATOM 1662 N ALA B 91 -5.857 20.735 -3.111 1.00 0.00 N ATOM 1663 CA ALA B 91 -6.976 21.620 -2.824 1.00 0.00 C ATOM 1664 C ALA B 91 -6.682 22.457 -1.588 1.00 0.00 C ATOM 1665 O ALA B 91 -6.737 23.688 -1.631 1.00 0.00 O ATOM 1666 CB ALA B 91 -8.252 20.814 -2.630 1.00 0.00 C ATOM 0 H ALA B 91 -5.932 19.813 -2.682 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.117 22.291 -3.672 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.080 21.490 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -8.468 20.251 -3.538 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.123 20.123 -1.797 1.00 0.00 H new ATOM 1672 N LEU B 92 -6.345 21.785 -0.487 1.00 0.00 N ATOM 1673 CA LEU B 92 -6.017 22.486 0.751 1.00 0.00 C ATOM 1674 C LEU B 92 -4.936 23.527 0.485 1.00 0.00 C ATOM 1675 O LEU B 92 -4.840 24.535 1.184 1.00 0.00 O ATOM 1676 CB LEU B 92 -5.541 21.504 1.825 1.00 0.00 C ATOM 1677 CG LEU B 92 -6.620 21.045 2.813 1.00 0.00 C ATOM 1678 CD1 LEU B 92 -7.021 22.189 3.730 1.00 0.00 C ATOM 1679 CD2 LEU B 92 -7.834 20.499 2.074 1.00 0.00 C ATOM 0 H LEU B 92 -6.293 20.768 -0.428 1.00 0.00 H new ATOM 0 HA LEU B 92 -6.917 22.982 1.114 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -5.124 20.625 1.332 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -4.731 21.969 2.387 1.00 0.00 H new ATOM 0 HG LEU B 92 -6.206 20.242 3.423 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -7.788 21.847 4.425 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -6.150 22.529 4.290 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -7.414 23.013 3.134 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -8.586 20.180 2.796 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -8.252 21.277 1.435 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -7.535 19.649 1.461 1.00 0.00 H new ATOM 1691 N LEU B 93 -4.136 23.280 -0.548 1.00 0.00 N ATOM 1692 CA LEU B 93 -3.073 24.196 -0.927 1.00 0.00 C ATOM 1693 C LEU B 93 -3.578 25.178 -1.977 1.00 0.00 C ATOM 1694 O LEU B 93 -3.230 26.355 -1.957 1.00 0.00 O ATOM 1695 CB LEU B 93 -1.865 23.422 -1.462 1.00 0.00 C ATOM 1696 CG LEU B 93 -0.605 23.516 -0.599 1.00 0.00 C ATOM 1697 CD1 LEU B 93 -0.174 24.966 -0.443 1.00 0.00 C ATOM 1698 CD2 LEU B 93 -0.843 22.878 0.760 1.00 0.00 C ATOM 0 H LEU B 93 -4.207 22.450 -1.137 1.00 0.00 H new ATOM 0 HA LEU B 93 -2.762 24.754 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU B 93 -2.141 22.372 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU B 93 -1.631 23.788 -2.462 1.00 0.00 H new ATOM 0 HG LEU B 93 0.197 22.972 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU B 93 0.724 25.014 0.174 1.00 0.00 H new ATOM 0 HD12 LEU B 93 0.037 25.391 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU B 93 -0.973 25.534 0.034 1.00 0.00 H new ATOM 0 HD21 LEU B 93 0.063 22.954 1.361 1.00 0.00 H new ATOM 0 HD22 LEU B 93 -1.659 23.394 1.266 1.00 0.00 H new ATOM 0 HD23 LEU B 93 -1.105 21.828 0.628 1.00 0.00 H new ATOM 1710 N THR B 94 -4.409 24.688 -2.893 1.00 0.00 N ATOM 1711 CA THR B 94 -4.959 25.538 -3.943 1.00 0.00 C ATOM 1712 C THR B 94 -5.835 26.644 -3.350 1.00 0.00 C ATOM 1713 O THR B 94 -6.168 27.612 -4.034 1.00 0.00 O ATOM 1714 CB THR B 94 -5.759 24.700 -4.950 1.00 0.00 C ATOM 1715 OG1 THR B 94 -4.894 24.104 -5.900 1.00 0.00 O ATOM 1716 CG2 THR B 94 -6.798 25.491 -5.720 1.00 0.00 C ATOM 0 H THR B 94 -4.714 23.715 -2.929 1.00 0.00 H new ATOM 0 HA THR B 94 -4.127 26.009 -4.467 1.00 0.00 H new ATOM 0 HB THR B 94 -6.275 23.953 -4.346 1.00 0.00 H new ATOM 0 HG1 THR B 94 -4.530 23.271 -5.534 1.00 0.00 H new ATOM 0 HG21 THR B 94 -7.321 24.829 -6.411 1.00 0.00 H new ATOM 0 HG22 THR B 94 -7.514 25.927 -5.023 1.00 0.00 H new ATOM 0 HG23 THR B 94 -6.308 26.287 -6.281 1.00 0.00 H new ATOM 1724 N GLY B 95 -6.217 26.493 -2.082 1.00 0.00 N ATOM 1725 CA GLY B 95 -7.059 27.490 -1.444 1.00 0.00 C ATOM 1726 C GLY B 95 -6.466 28.048 -0.161 1.00 0.00 C ATOM 1727 O GLY B 95 -6.743 29.188 0.207 1.00 0.00 O ATOM 0 H GLY B 95 -5.960 25.703 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY B 95 -7.232 28.309 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY B 95 -8.031 27.048 -1.224 1.00 0.00 H new ATOM 1731 N LEU B 96 -5.662 27.245 0.531 1.00 0.00 N ATOM 1732 CA LEU B 96 -5.054 27.683 1.785 1.00 0.00 C ATOM 1733 C LEU B 96 -3.579 28.031 1.618 1.00 0.00 C ATOM 1734 O LEU B 96 -2.889 28.320 2.596 1.00 0.00 O ATOM 1735 CB LEU B 96 -5.210 26.603 2.850 1.00 0.00 C ATOM 1736 CG LEU B 96 -5.545 27.115 4.252 1.00 0.00 C ATOM 1737 CD1 LEU B 96 -6.258 26.038 5.056 1.00 0.00 C ATOM 1738 CD2 LEU B 96 -4.283 27.570 4.967 1.00 0.00 C ATOM 0 H LEU B 96 -5.418 26.296 0.248 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.575 28.588 2.098 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -5.994 25.915 2.535 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -4.285 26.029 2.901 1.00 0.00 H new ATOM 0 HG LEU B 96 -6.213 27.971 4.157 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -6.489 26.419 6.051 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -7.183 25.759 4.551 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -5.614 25.163 5.143 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -4.539 27.931 5.963 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.591 26.732 5.052 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.813 28.373 4.400 1.00 0.00 H new ATOM 1750 N PHE B 97 -3.105 27.996 0.380 1.00 0.00 N ATOM 1751 CA PHE B 97 -1.703 28.305 0.069 1.00 0.00 C ATOM 1752 C PHE B 97 -1.163 29.429 0.953 1.00 0.00 C ATOM 1753 O PHE B 97 -1.859 30.408 1.225 1.00 0.00 O ATOM 1754 CB PHE B 97 -1.560 28.704 -1.401 1.00 0.00 C ATOM 1755 CG PHE B 97 -2.534 29.761 -1.836 1.00 0.00 C ATOM 1756 CD1 PHE B 97 -3.824 29.421 -2.210 1.00 0.00 C ATOM 1757 CD2 PHE B 97 -2.159 31.095 -1.870 1.00 0.00 C ATOM 1758 CE1 PHE B 97 -4.723 30.392 -2.611 1.00 0.00 C ATOM 1759 CE2 PHE B 97 -3.053 32.070 -2.271 1.00 0.00 C ATOM 1760 CZ PHE B 97 -4.336 31.719 -2.641 1.00 0.00 C ATOM 0 H PHE B 97 -3.670 27.756 -0.435 1.00 0.00 H new ATOM 0 HA PHE B 97 -1.121 27.404 0.265 1.00 0.00 H new ATOM 0 HB2 PHE B 97 -0.546 29.064 -1.574 1.00 0.00 H new ATOM 0 HB3 PHE B 97 -1.695 27.819 -2.023 1.00 0.00 H new ATOM 0 HD1 PHE B 97 -4.131 28.386 -2.188 1.00 0.00 H new ATOM 0 HD2 PHE B 97 -1.157 31.376 -1.580 1.00 0.00 H new ATOM 0 HE1 PHE B 97 -5.726 30.114 -2.900 1.00 0.00 H new ATOM 0 HE2 PHE B 97 -2.748 33.106 -2.295 1.00 0.00 H new ATOM 0 HZ PHE B 97 -5.036 32.480 -2.953 1.00 0.00 H new ATOM 1770 N VAL B 98 0.079 29.277 1.399 1.00 0.00 N ATOM 1771 CA VAL B 98 0.713 30.276 2.250 1.00 0.00 C ATOM 1772 C VAL B 98 1.035 31.542 1.464 1.00 0.00 C ATOM 1773 O VAL B 98 1.824 31.515 0.520 1.00 0.00 O ATOM 1774 CB VAL B 98 2.009 29.733 2.883 1.00 0.00 C ATOM 1775 CG1 VAL B 98 2.573 30.726 3.888 1.00 0.00 C ATOM 1776 CG2 VAL B 98 1.758 28.383 3.542 1.00 0.00 C ATOM 0 H VAL B 98 0.667 28.471 1.185 1.00 0.00 H new ATOM 0 HA VAL B 98 0.003 30.514 3.042 1.00 0.00 H new ATOM 0 HB VAL B 98 2.745 29.595 2.091 1.00 0.00 H new ATOM 0 HG11 VAL B 98 3.488 30.323 4.323 1.00 0.00 H new ATOM 0 HG12 VAL B 98 2.794 31.667 3.385 1.00 0.00 H new ATOM 0 HG13 VAL B 98 1.842 30.900 4.677 1.00 0.00 H new ATOM 0 HG21 VAL B 98 2.685 28.016 3.983 1.00 0.00 H new ATOM 0 HG22 VAL B 98 1.004 28.493 4.321 1.00 0.00 H new ATOM 0 HG23 VAL B 98 1.406 27.673 2.794 1.00 0.00 H new