USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=12 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=-0.047) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 MET CE :methyl -123:sc= 0 (180deg=-0.0505) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 155:sc= -0.506 (180deg=-1.84!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -39:sc= 0.0211 USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 MET CE :methyl -124:sc= 0 (180deg=-0.0549) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 MET CE :methyl 152:sc= -0.449 (180deg=-2.01!) USER MOD Single : B 85 SER OG : rot 180:sc= 0 USER MOD Single : B 94 THR OG1 : rot -43:sc= 0.0178 USER MOD ----------------------------------------------------------------- ATOM 41 N ALA A 52 3.840 -33.239 -8.323 1.00 0.00 N ATOM 42 CA ALA A 52 3.679 -31.942 -8.970 1.00 0.00 C ATOM 43 C ALA A 52 2.208 -31.552 -9.061 1.00 0.00 C ATOM 44 O ALA A 52 1.657 -31.412 -10.154 1.00 0.00 O ATOM 45 CB ALA A 52 4.312 -31.960 -10.355 1.00 0.00 C ATOM 0 HA ALA A 52 4.187 -31.194 -8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.184 -30.985 -10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.375 -32.184 -10.266 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.830 -32.724 -10.965 1.00 0.00 H new ATOM 51 N HIS A 53 1.575 -31.375 -7.906 1.00 0.00 N ATOM 52 CA HIS A 53 0.167 -30.999 -7.856 1.00 0.00 C ATOM 53 C HIS A 53 -0.059 -29.873 -6.849 1.00 0.00 C ATOM 54 O HIS A 53 0.628 -29.792 -5.830 1.00 0.00 O ATOM 55 CB HIS A 53 -0.695 -32.211 -7.493 1.00 0.00 C ATOM 56 CG HIS A 53 -0.499 -32.689 -6.087 1.00 0.00 C ATOM 57 ND1 HIS A 53 0.587 -33.440 -5.690 1.00 0.00 N ATOM 58 CD2 HIS A 53 -1.261 -32.519 -4.979 1.00 0.00 C ATOM 59 CE1 HIS A 53 0.485 -33.711 -4.401 1.00 0.00 C ATOM 60 NE2 HIS A 53 -0.627 -33.163 -3.946 1.00 0.00 N ATOM 0 H HIS A 53 2.015 -31.486 -6.992 1.00 0.00 H new ATOM 0 HA HIS A 53 -0.125 -30.641 -8.843 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.745 -31.956 -7.638 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.468 -33.026 -8.180 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.194 -31.978 -4.920 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.191 -34.284 -3.818 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.961 -33.211 -2.983 1.00 0.00 H new ATOM 69 N LEU A 54 -1.025 -29.010 -7.142 1.00 0.00 N ATOM 70 CA LEU A 54 -1.341 -27.890 -6.264 1.00 0.00 C ATOM 71 C LEU A 54 -2.853 -27.741 -6.107 1.00 0.00 C ATOM 72 O LEU A 54 -3.367 -27.706 -4.987 1.00 0.00 O ATOM 73 CB LEU A 54 -0.741 -26.593 -6.816 1.00 0.00 C ATOM 74 CG LEU A 54 0.628 -26.737 -7.486 1.00 0.00 C ATOM 75 CD1 LEU A 54 0.757 -25.767 -8.650 1.00 0.00 C ATOM 76 CD2 LEU A 54 1.742 -26.508 -6.476 1.00 0.00 C ATOM 0 H LEU A 54 -1.603 -29.065 -7.981 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.906 -28.090 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.438 -26.169 -7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.654 -25.876 -5.999 1.00 0.00 H new ATOM 0 HG LEU A 54 0.717 -27.752 -7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.736 -25.884 -9.114 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.020 -25.976 -9.385 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.647 -24.745 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.708 -26.614 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.655 -25.504 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.662 -27.241 -5.674 1.00 0.00 H new ATOM 88 N THR A 55 -3.546 -27.662 -7.247 1.00 0.00 N ATOM 89 CA THR A 55 -5.008 -27.526 -7.303 1.00 0.00 C ATOM 90 C THR A 55 -5.617 -26.968 -6.010 1.00 0.00 C ATOM 91 O THR A 55 -5.839 -25.765 -5.888 1.00 0.00 O ATOM 92 CB THR A 55 -5.643 -28.873 -7.651 1.00 0.00 C ATOM 93 OG1 THR A 55 -5.192 -29.324 -8.916 1.00 0.00 O ATOM 94 CG2 THR A 55 -7.155 -28.837 -7.690 1.00 0.00 C ATOM 0 H THR A 55 -3.105 -27.691 -8.167 1.00 0.00 H new ATOM 0 HA THR A 55 -5.226 -26.797 -8.084 1.00 0.00 H new ATOM 0 HB THR A 55 -5.336 -29.550 -6.853 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.607 -30.188 -9.122 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.536 -29.826 -7.943 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.537 -28.540 -6.713 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.483 -28.119 -8.442 1.00 0.00 H new ATOM 102 N GLU A 56 -5.904 -27.847 -5.054 1.00 0.00 N ATOM 103 CA GLU A 56 -6.500 -27.433 -3.791 1.00 0.00 C ATOM 104 C GLU A 56 -5.611 -26.430 -3.060 1.00 0.00 C ATOM 105 O GLU A 56 -5.963 -25.257 -2.916 1.00 0.00 O ATOM 106 CB GLU A 56 -6.755 -28.653 -2.901 1.00 0.00 C ATOM 107 CG GLU A 56 -8.230 -28.967 -2.709 1.00 0.00 C ATOM 108 CD GLU A 56 -8.611 -29.113 -1.249 1.00 0.00 C ATOM 109 OE1 GLU A 56 -8.938 -28.088 -0.614 1.00 0.00 O ATOM 110 OE2 GLU A 56 -8.583 -30.253 -0.739 1.00 0.00 O ATOM 0 H GLU A 56 -5.733 -28.850 -5.131 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.449 -26.945 -4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.261 -29.521 -3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.298 -28.483 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.828 -28.174 -3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.473 -29.889 -3.238 1.00 0.00 H new ATOM 117 N VAL A 57 -4.460 -26.898 -2.590 1.00 0.00 N ATOM 118 CA VAL A 57 -3.532 -26.041 -1.864 1.00 0.00 C ATOM 119 C VAL A 57 -3.182 -24.786 -2.659 1.00 0.00 C ATOM 120 O VAL A 57 -2.886 -23.734 -2.076 1.00 0.00 O ATOM 121 CB VAL A 57 -2.238 -26.785 -1.497 1.00 0.00 C ATOM 122 CG1 VAL A 57 -1.374 -25.922 -0.587 1.00 0.00 C ATOM 123 CG2 VAL A 57 -2.557 -28.116 -0.833 1.00 0.00 C ATOM 0 H VAL A 57 -4.149 -27.863 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.042 -25.747 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.681 -26.987 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.461 -26.461 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.118 -24.995 -1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.924 -25.692 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.629 -28.628 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.133 -27.941 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.138 -28.734 -1.518 1.00 0.00 H new ATOM 133 N GLU A 58 -3.238 -24.879 -3.989 1.00 0.00 N ATOM 134 CA GLU A 58 -2.939 -23.732 -4.830 1.00 0.00 C ATOM 135 C GLU A 58 -4.008 -22.671 -4.623 1.00 0.00 C ATOM 136 O GLU A 58 -3.711 -21.500 -4.391 1.00 0.00 O ATOM 137 CB GLU A 58 -2.837 -24.153 -6.303 1.00 0.00 C ATOM 138 CG GLU A 58 -4.054 -23.801 -7.140 1.00 0.00 C ATOM 139 CD GLU A 58 -3.972 -24.349 -8.552 1.00 0.00 C ATOM 140 OE1 GLU A 58 -3.532 -25.506 -8.714 1.00 0.00 O ATOM 141 OE2 GLU A 58 -4.349 -23.620 -9.494 1.00 0.00 O ATOM 0 H GLU A 58 -3.485 -25.728 -4.497 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.973 -23.313 -4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.959 -23.681 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.677 -25.230 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.949 -24.191 -6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.160 -22.717 -7.181 1.00 0.00 H new ATOM 148 N SER A 59 -5.255 -23.102 -4.649 1.00 0.00 N ATOM 149 CA SER A 59 -6.360 -22.196 -4.408 1.00 0.00 C ATOM 150 C SER A 59 -6.319 -21.751 -2.950 1.00 0.00 C ATOM 151 O SER A 59 -6.938 -20.759 -2.566 1.00 0.00 O ATOM 152 CB SER A 59 -7.695 -22.878 -4.718 1.00 0.00 C ATOM 153 OG SER A 59 -8.607 -21.969 -5.309 1.00 0.00 O ATOM 0 H SER A 59 -5.526 -24.068 -4.833 1.00 0.00 H new ATOM 0 HA SER A 59 -6.268 -21.329 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.529 -23.720 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.122 -23.282 -3.800 1.00 0.00 H new ATOM 0 HG SER A 59 -9.451 -22.429 -5.499 1.00 0.00 H new ATOM 159 N ARG A 60 -5.575 -22.509 -2.145 1.00 0.00 N ATOM 160 CA ARG A 60 -5.432 -22.228 -0.730 1.00 0.00 C ATOM 161 C ARG A 60 -4.592 -20.994 -0.488 1.00 0.00 C ATOM 162 O ARG A 60 -5.123 -19.952 -0.117 1.00 0.00 O ATOM 163 CB ARG A 60 -4.805 -23.427 -0.019 1.00 0.00 C ATOM 164 CG ARG A 60 -5.429 -23.737 1.332 1.00 0.00 C ATOM 165 CD ARG A 60 -5.398 -22.531 2.257 1.00 0.00 C ATOM 166 NE ARG A 60 -4.104 -22.383 2.920 1.00 0.00 N ATOM 167 CZ ARG A 60 -3.913 -21.661 4.021 1.00 0.00 C ATOM 168 NH1 ARG A 60 -4.929 -21.021 4.588 1.00 0.00 N ATOM 169 NH2 ARG A 60 -2.704 -21.580 4.559 1.00 0.00 N ATOM 0 H ARG A 60 -5.059 -23.330 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.428 -22.042 -0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.894 -24.304 -0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.740 -23.240 0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.460 -24.061 1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.896 -24.566 1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.617 -21.630 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.181 -22.630 3.009 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.300 -22.862 2.515 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.862 -21.082 4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.777 -20.469 5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.920 -22.071 4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.557 -21.026 5.403 1.00 0.00 H new ATOM 183 N LEU A 61 -3.281 -21.097 -0.683 1.00 0.00 N ATOM 184 CA LEU A 61 -2.430 -19.942 -0.450 1.00 0.00 C ATOM 185 C LEU A 61 -2.815 -18.820 -1.405 1.00 0.00 C ATOM 186 O LEU A 61 -2.759 -17.633 -1.053 1.00 0.00 O ATOM 187 CB LEU A 61 -0.962 -20.326 -0.571 1.00 0.00 C ATOM 188 CG LEU A 61 -0.360 -20.869 0.726 1.00 0.00 C ATOM 189 CD1 LEU A 61 -0.212 -19.758 1.753 1.00 0.00 C ATOM 190 CD2 LEU A 61 -1.219 -21.995 1.282 1.00 0.00 C ATOM 0 H LEU A 61 -2.799 -21.941 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.578 -19.578 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.855 -21.078 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.392 -19.453 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 61 0.630 -21.267 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.218 -20.164 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.443 -18.982 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.191 -19.330 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.776 -22.369 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.222 -21.620 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.276 -22.803 0.553 1.00 0.00 H new ATOM 202 N GLU A 62 -3.261 -19.207 -2.594 1.00 0.00 N ATOM 203 CA GLU A 62 -3.714 -18.239 -3.577 1.00 0.00 C ATOM 204 C GLU A 62 -4.899 -17.469 -3.012 1.00 0.00 C ATOM 205 O GLU A 62 -5.033 -16.268 -3.241 1.00 0.00 O ATOM 206 CB GLU A 62 -4.104 -18.930 -4.882 1.00 0.00 C ATOM 207 CG GLU A 62 -4.531 -17.964 -5.977 1.00 0.00 C ATOM 208 CD GLU A 62 -3.869 -18.260 -7.309 1.00 0.00 C ATOM 209 OE1 GLU A 62 -3.928 -19.425 -7.755 1.00 0.00 O ATOM 210 OE2 GLU A 62 -3.293 -17.326 -7.906 1.00 0.00 O ATOM 0 H GLU A 62 -3.317 -20.179 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.900 -17.548 -3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.259 -19.520 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.919 -19.627 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.614 -18.011 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.287 -16.946 -5.673 1.00 0.00 H new ATOM 217 N ARG A 63 -5.748 -18.162 -2.246 1.00 0.00 N ATOM 218 CA ARG A 63 -6.900 -17.518 -1.627 1.00 0.00 C ATOM 219 C ARG A 63 -6.471 -16.790 -0.354 1.00 0.00 C ATOM 220 O ARG A 63 -7.197 -15.942 0.167 1.00 0.00 O ATOM 221 CB ARG A 63 -7.981 -18.552 -1.302 1.00 0.00 C ATOM 222 CG ARG A 63 -9.201 -17.964 -0.612 1.00 0.00 C ATOM 223 CD ARG A 63 -10.174 -19.048 -0.181 1.00 0.00 C ATOM 224 NE ARG A 63 -10.974 -18.640 0.972 1.00 0.00 N ATOM 225 CZ ARG A 63 -12.087 -19.259 1.360 1.00 0.00 C ATOM 226 NH1 ARG A 63 -12.534 -20.314 0.692 1.00 0.00 N ATOM 227 NH2 ARG A 63 -12.755 -18.819 2.418 1.00 0.00 N ATOM 0 H ARG A 63 -5.657 -19.158 -2.044 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.313 -16.793 -2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.296 -19.038 -2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.552 -19.325 -0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.886 -17.389 0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.703 -17.271 -1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.835 -19.293 -1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.621 -19.955 0.064 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.661 -17.833 1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.024 -20.655 -0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.387 -20.785 0.994 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.416 -18.007 2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.608 -19.293 2.716 1.00 0.00 H new ATOM 241 N LEU A 64 -5.279 -17.130 0.137 1.00 0.00 N ATOM 242 CA LEU A 64 -4.732 -16.522 1.343 1.00 0.00 C ATOM 243 C LEU A 64 -4.151 -15.155 1.029 1.00 0.00 C ATOM 244 O LEU A 64 -4.097 -14.271 1.883 1.00 0.00 O ATOM 245 CB LEU A 64 -3.666 -17.449 1.952 1.00 0.00 C ATOM 246 CG LEU A 64 -2.521 -16.768 2.721 1.00 0.00 C ATOM 247 CD1 LEU A 64 -2.329 -17.423 4.082 1.00 0.00 C ATOM 248 CD2 LEU A 64 -1.223 -16.823 1.917 1.00 0.00 C ATOM 0 H LEU A 64 -4.672 -17.830 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.531 -16.386 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.164 -18.144 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.231 -18.043 1.148 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.787 -15.722 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.515 -16.929 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.247 -17.333 4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.087 -18.477 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.426 -16.336 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.953 -17.863 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.362 -16.310 0.966 1.00 0.00 H new ATOM 260 N GLU A 65 -3.727 -14.995 -0.207 1.00 0.00 N ATOM 261 CA GLU A 65 -3.149 -13.741 -0.663 1.00 0.00 C ATOM 262 C GLU A 65 -4.149 -12.946 -1.499 1.00 0.00 C ATOM 263 O GLU A 65 -4.028 -11.728 -1.635 1.00 0.00 O ATOM 264 CB GLU A 65 -1.884 -14.018 -1.468 1.00 0.00 C ATOM 265 CG GLU A 65 -0.935 -14.978 -0.770 1.00 0.00 C ATOM 266 CD GLU A 65 0.115 -14.261 0.058 1.00 0.00 C ATOM 267 OE1 GLU A 65 -0.143 -13.116 0.484 1.00 0.00 O ATOM 268 OE2 GLU A 65 1.196 -14.848 0.281 1.00 0.00 O ATOM 0 H GLU A 65 -3.771 -15.722 -0.921 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.894 -13.141 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.160 -14.430 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.367 -13.077 -1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.508 -15.645 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.441 -15.601 -1.515 1.00 0.00 H new ATOM 275 N GLN A 66 -5.145 -13.637 -2.049 1.00 0.00 N ATOM 276 CA GLN A 66 -6.169 -12.986 -2.857 1.00 0.00 C ATOM 277 C GLN A 66 -6.979 -12.022 -2.001 1.00 0.00 C ATOM 278 O GLN A 66 -7.377 -10.950 -2.458 1.00 0.00 O ATOM 279 CB GLN A 66 -7.092 -14.028 -3.492 1.00 0.00 C ATOM 280 CG GLN A 66 -6.716 -14.381 -4.922 1.00 0.00 C ATOM 281 CD GLN A 66 -7.925 -14.509 -5.828 1.00 0.00 C ATOM 282 OE1 GLN A 66 -8.615 -15.529 -5.823 1.00 0.00 O ATOM 283 NE2 GLN A 66 -8.189 -13.472 -6.614 1.00 0.00 N ATOM 0 H GLN A 66 -5.263 -14.645 -1.949 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.678 -12.425 -3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.075 -14.934 -2.886 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.115 -13.653 -3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.049 -13.615 -5.318 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.162 -15.320 -4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.591 -12.646 -6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.990 -13.501 -7.245 1.00 0.00 H new ATOM 292 N LEU A 67 -7.204 -12.408 -0.750 1.00 0.00 N ATOM 293 CA LEU A 67 -7.953 -11.579 0.184 1.00 0.00 C ATOM 294 C LEU A 67 -7.045 -10.527 0.823 1.00 0.00 C ATOM 295 O LEU A 67 -7.493 -9.722 1.639 1.00 0.00 O ATOM 296 CB LEU A 67 -8.591 -12.448 1.270 1.00 0.00 C ATOM 297 CG LEU A 67 -10.027 -12.065 1.644 1.00 0.00 C ATOM 298 CD1 LEU A 67 -11.000 -13.155 1.220 1.00 0.00 C ATOM 299 CD2 LEU A 67 -10.139 -11.801 3.138 1.00 0.00 C ATOM 0 H LEU A 67 -6.877 -13.292 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.740 -11.067 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.583 -13.485 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.972 -12.397 2.166 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.286 -11.149 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.014 -12.864 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.942 -13.295 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.742 -14.088 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.166 -11.531 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.859 -12.699 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.473 -10.984 3.414 1.00 0.00 H new ATOM 311 N PHE A 68 -5.766 -10.542 0.444 1.00 0.00 N ATOM 312 CA PHE A 68 -4.791 -9.594 0.973 1.00 0.00 C ATOM 313 C PHE A 68 -4.534 -9.842 2.461 1.00 0.00 C ATOM 314 O PHE A 68 -3.727 -10.702 2.819 1.00 0.00 O ATOM 315 CB PHE A 68 -5.255 -8.152 0.731 1.00 0.00 C ATOM 316 CG PHE A 68 -5.311 -7.775 -0.722 1.00 0.00 C ATOM 317 CD1 PHE A 68 -4.147 -7.629 -1.459 1.00 0.00 C ATOM 318 CD2 PHE A 68 -6.529 -7.567 -1.349 1.00 0.00 C ATOM 319 CE1 PHE A 68 -4.195 -7.282 -2.795 1.00 0.00 C ATOM 320 CE2 PHE A 68 -6.584 -7.219 -2.685 1.00 0.00 C ATOM 321 CZ PHE A 68 -5.415 -7.077 -3.410 1.00 0.00 C ATOM 0 H PHE A 68 -5.383 -11.204 -0.230 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.850 -9.744 0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.243 -8.018 1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.581 -7.470 1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.191 -7.788 -0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.445 -7.678 -0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.280 -7.171 -3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.539 -7.058 -3.163 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.456 -6.806 -4.455 1.00 0.00 H new ATOM 331 N LEU A 69 -5.214 -9.093 3.330 1.00 0.00 N ATOM 332 CA LEU A 69 -5.045 -9.245 4.773 1.00 0.00 C ATOM 333 C LEU A 69 -3.566 -9.292 5.153 1.00 0.00 C ATOM 334 O LEU A 69 -3.194 -9.900 6.157 1.00 0.00 O ATOM 335 CB LEU A 69 -5.749 -10.515 5.256 1.00 0.00 C ATOM 336 CG LEU A 69 -7.167 -10.306 5.792 1.00 0.00 C ATOM 337 CD1 LEU A 69 -8.070 -11.461 5.385 1.00 0.00 C ATOM 338 CD2 LEU A 69 -7.145 -10.155 7.306 1.00 0.00 C ATOM 0 H LEU A 69 -5.886 -8.376 3.058 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.494 -8.378 5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.790 -11.226 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.144 -10.972 6.040 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.567 -9.390 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.074 -11.293 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.110 -11.526 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.674 -12.392 5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.161 -10.007 7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.725 -11.055 7.755 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.533 -9.295 7.577 1.00 0.00 H new ATOM 350 N LEU A 70 -2.729 -8.649 4.345 1.00 0.00 N ATOM 351 CA LEU A 70 -1.293 -8.624 4.600 1.00 0.00 C ATOM 352 C LEU A 70 -0.644 -7.394 3.974 1.00 0.00 C ATOM 353 O LEU A 70 0.164 -6.716 4.610 1.00 0.00 O ATOM 354 CB LEU A 70 -0.634 -9.891 4.052 1.00 0.00 C ATOM 355 CG LEU A 70 -1.029 -11.190 4.761 1.00 0.00 C ATOM 356 CD1 LEU A 70 -0.472 -12.392 4.018 1.00 0.00 C ATOM 357 CD2 LEU A 70 -0.546 -11.178 6.204 1.00 0.00 C ATOM 0 H LEU A 70 -3.019 -8.140 3.510 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.146 -8.579 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.883 -9.983 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.448 -9.775 4.116 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.116 -11.265 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.762 -13.306 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.869 -12.408 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.615 -12.325 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.835 -12.109 6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.539 -11.080 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.996 -10.337 6.731 1.00 0.00 H new ATOM 369 N ILE A 71 -0.997 -7.112 2.723 1.00 0.00 N ATOM 370 CA ILE A 71 -0.443 -5.965 2.016 1.00 0.00 C ATOM 371 C ILE A 71 -0.761 -4.663 2.747 1.00 0.00 C ATOM 372 O ILE A 71 0.021 -3.711 2.706 1.00 0.00 O ATOM 373 CB ILE A 71 -0.968 -5.893 0.564 1.00 0.00 C ATOM 374 CG1 ILE A 71 -0.179 -4.854 -0.245 1.00 0.00 C ATOM 375 CG2 ILE A 71 -2.459 -5.590 0.540 1.00 0.00 C ATOM 376 CD1 ILE A 71 -0.556 -3.416 0.053 1.00 0.00 C ATOM 0 H ILE A 71 -1.663 -7.662 2.180 1.00 0.00 H new ATOM 0 HA ILE A 71 0.639 -6.096 1.987 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.820 -6.867 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.885 -4.987 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.332 -5.045 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.804 -5.544 -0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.999 -6.376 1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.644 -4.632 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.048 -2.747 -0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.611 -3.262 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.376 -3.204 1.107 1.00 0.00 H new ATOM 388 N PHE A 72 -1.906 -4.626 3.422 1.00 0.00 N ATOM 389 CA PHE A 72 -2.316 -3.442 4.168 1.00 0.00 C ATOM 390 C PHE A 72 -2.568 -3.784 5.637 1.00 0.00 C ATOM 391 O PHE A 72 -3.713 -3.862 6.081 1.00 0.00 O ATOM 392 CB PHE A 72 -3.567 -2.815 3.540 1.00 0.00 C ATOM 393 CG PHE A 72 -4.805 -3.663 3.659 1.00 0.00 C ATOM 394 CD1 PHE A 72 -4.925 -4.844 2.945 1.00 0.00 C ATOM 395 CD2 PHE A 72 -5.847 -3.273 4.484 1.00 0.00 C ATOM 396 CE1 PHE A 72 -6.064 -5.621 3.052 1.00 0.00 C ATOM 397 CE2 PHE A 72 -6.989 -4.046 4.596 1.00 0.00 C ATOM 398 CZ PHE A 72 -7.096 -5.222 3.878 1.00 0.00 C ATOM 0 H PHE A 72 -2.566 -5.402 3.467 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.505 -2.715 4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.753 -1.851 4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.373 -2.621 2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.121 -5.161 2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.767 -2.355 5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.146 -6.539 2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.795 -3.731 5.243 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.986 -5.828 3.963 1.00 0.00 H new ATOM 408 N PRO A 73 -1.490 -3.999 6.412 1.00 0.00 N ATOM 409 CA PRO A 73 -1.589 -4.340 7.830 1.00 0.00 C ATOM 410 C PRO A 73 -1.655 -3.110 8.733 1.00 0.00 C ATOM 411 O PRO A 73 -1.436 -3.207 9.941 1.00 0.00 O ATOM 412 CB PRO A 73 -0.293 -5.106 8.068 1.00 0.00 C ATOM 413 CG PRO A 73 0.696 -4.470 7.147 1.00 0.00 C ATOM 414 CD PRO A 73 -0.085 -3.935 5.968 1.00 0.00 C ATOM 0 HA PRO A 73 -2.497 -4.897 8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.027 -5.030 9.107 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.414 -6.167 7.849 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.233 -3.667 7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.441 -5.195 6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.210 -2.915 5.724 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.079 -4.537 5.074 1.00 0.00 H new ATOM 422 N ARG A 74 -1.957 -1.956 8.146 1.00 0.00 N ATOM 423 CA ARG A 74 -2.047 -0.716 8.907 1.00 0.00 C ATOM 424 C ARG A 74 -3.442 -0.535 9.495 1.00 0.00 C ATOM 425 O ARG A 74 -3.604 -0.414 10.708 1.00 0.00 O ATOM 426 CB ARG A 74 -1.695 0.478 8.018 1.00 0.00 C ATOM 427 CG ARG A 74 -0.215 0.826 8.023 1.00 0.00 C ATOM 428 CD ARG A 74 0.203 1.478 9.332 1.00 0.00 C ATOM 429 NE ARG A 74 1.036 0.592 10.143 1.00 0.00 N ATOM 430 CZ ARG A 74 1.808 1.012 11.142 1.00 0.00 C ATOM 431 NH1 ARG A 74 1.859 2.301 11.457 1.00 0.00 N ATOM 432 NH2 ARG A 74 2.535 0.140 11.828 1.00 0.00 N ATOM 0 H ARG A 74 -2.143 -1.854 7.148 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.333 -0.772 9.729 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.006 0.263 6.996 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.265 1.347 8.348 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.372 -0.078 7.862 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.004 1.500 7.194 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.750 2.397 9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.686 1.758 9.897 1.00 0.00 H new ATOM 0 HE ARG A 74 1.025 -0.406 9.931 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.304 2.977 10.932 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.453 2.615 12.224 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.502 -0.851 11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.127 0.461 12.594 1.00 0.00 H new ATOM 446 N GLU A 75 -4.447 -0.514 8.626 1.00 0.00 N ATOM 447 CA GLU A 75 -5.830 -0.344 9.060 1.00 0.00 C ATOM 448 C GLU A 75 -6.004 0.971 9.815 1.00 0.00 C ATOM 449 O GLU A 75 -6.880 1.094 10.672 1.00 0.00 O ATOM 450 CB GLU A 75 -6.256 -1.518 9.944 1.00 0.00 C ATOM 451 CG GLU A 75 -6.997 -2.609 9.189 1.00 0.00 C ATOM 452 CD GLU A 75 -8.499 -2.398 9.185 1.00 0.00 C ATOM 453 OE1 GLU A 75 -8.933 -1.228 9.228 1.00 0.00 O ATOM 454 OE2 GLU A 75 -9.239 -3.402 9.140 1.00 0.00 O ATOM 0 H GLU A 75 -4.330 -0.612 7.617 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.465 -0.319 8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.371 -1.949 10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.893 -1.146 10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.636 -2.644 8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.771 -3.575 9.639 1.00 0.00 H new ATOM 461 N ASP A 76 -5.166 1.949 9.491 1.00 0.00 N ATOM 462 CA ASP A 76 -5.225 3.255 10.137 1.00 0.00 C ATOM 463 C ASP A 76 -4.672 4.339 9.218 1.00 0.00 C ATOM 464 O ASP A 76 -5.331 5.347 8.963 1.00 0.00 O ATOM 465 CB ASP A 76 -4.442 3.235 11.451 1.00 0.00 C ATOM 466 CG ASP A 76 -5.270 2.715 12.610 1.00 0.00 C ATOM 467 OD1 ASP A 76 -6.465 3.067 12.691 1.00 0.00 O ATOM 468 OD2 ASP A 76 -4.723 1.957 13.437 1.00 0.00 O ATOM 0 H ASP A 76 -4.436 1.862 8.784 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.270 3.481 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.556 2.612 11.333 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.095 4.243 11.679 1.00 0.00 H new ATOM 473 N LEU A 77 -3.458 4.124 8.722 1.00 0.00 N ATOM 474 CA LEU A 77 -2.816 5.081 7.827 1.00 0.00 C ATOM 475 C LEU A 77 -2.496 4.435 6.482 1.00 0.00 C ATOM 476 O LEU A 77 -2.892 3.299 6.218 1.00 0.00 O ATOM 477 CB LEU A 77 -1.538 5.629 8.465 1.00 0.00 C ATOM 478 CG LEU A 77 -0.471 4.583 8.782 1.00 0.00 C ATOM 479 CD1 LEU A 77 0.386 4.306 7.557 1.00 0.00 C ATOM 480 CD2 LEU A 77 0.393 5.042 9.946 1.00 0.00 C ATOM 0 H LEU A 77 -2.899 3.295 8.924 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.508 5.906 7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.107 6.374 7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.804 6.145 9.387 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.970 3.657 9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.140 3.558 7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.244 3.934 6.749 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.877 5.226 7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.148 4.285 10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.883 5.981 9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.232 5.189 10.827 1.00 0.00 H new ATOM 492 N ASP A 78 -1.788 5.169 5.630 1.00 0.00 N ATOM 493 CA ASP A 78 -1.423 4.675 4.309 1.00 0.00 C ATOM 494 C ASP A 78 0.024 5.031 3.979 1.00 0.00 C ATOM 495 O ASP A 78 0.308 6.122 3.485 1.00 0.00 O ATOM 496 CB ASP A 78 -2.364 5.268 3.261 1.00 0.00 C ATOM 497 CG ASP A 78 -3.485 4.318 2.884 1.00 0.00 C ATOM 498 OD1 ASP A 78 -3.270 3.090 2.956 1.00 0.00 O ATOM 499 OD2 ASP A 78 -4.576 4.803 2.518 1.00 0.00 O ATOM 0 H ASP A 78 -1.455 6.112 5.833 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.515 3.589 4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -2.791 6.195 3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.793 5.524 2.368 1.00 0.00 H new ATOM 504 N MET A 79 0.935 4.107 4.262 1.00 0.00 N ATOM 505 CA MET A 79 2.358 4.325 4.009 1.00 0.00 C ATOM 506 C MET A 79 2.662 4.426 2.514 1.00 0.00 C ATOM 507 O MET A 79 3.500 5.224 2.100 1.00 0.00 O ATOM 508 CB MET A 79 3.179 3.192 4.629 1.00 0.00 C ATOM 509 CG MET A 79 2.793 1.812 4.122 1.00 0.00 C ATOM 510 SD MET A 79 3.845 0.508 4.788 1.00 0.00 S ATOM 511 CE MET A 79 3.218 0.388 6.462 1.00 0.00 C ATOM 0 H MET A 79 0.715 3.197 4.668 1.00 0.00 H new ATOM 0 HA MET A 79 2.633 5.274 4.470 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.235 3.364 4.421 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.059 3.218 5.712 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.756 1.608 4.388 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.851 1.800 3.034 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.032 0.551 7.168 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.447 1.143 6.617 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.792 -0.603 6.621 1.00 0.00 H new ATOM 521 N ILE A 80 1.992 3.604 1.713 1.00 0.00 N ATOM 522 CA ILE A 80 2.211 3.599 0.269 1.00 0.00 C ATOM 523 C ILE A 80 1.600 4.826 -0.403 1.00 0.00 C ATOM 524 O ILE A 80 2.216 5.437 -1.279 1.00 0.00 O ATOM 525 CB ILE A 80 1.622 2.330 -0.380 1.00 0.00 C ATOM 526 CG1 ILE A 80 2.147 1.079 0.328 1.00 0.00 C ATOM 527 CG2 ILE A 80 1.949 2.284 -1.868 1.00 0.00 C ATOM 528 CD1 ILE A 80 3.654 0.953 0.294 1.00 0.00 C ATOM 0 H ILE A 80 1.294 2.934 2.037 1.00 0.00 H new ATOM 0 HA ILE A 80 3.291 3.617 0.121 1.00 0.00 H new ATOM 0 HB ILE A 80 0.538 2.359 -0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.815 1.093 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.706 0.197 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.524 1.381 -2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.526 3.160 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.031 2.279 -2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.955 0.044 0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.992 0.907 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.103 1.817 0.784 1.00 0.00 H new ATOM 540 N LEU A 81 0.386 5.175 0.004 1.00 0.00 N ATOM 541 CA LEU A 81 -0.311 6.319 -0.569 1.00 0.00 C ATOM 542 C LEU A 81 0.280 7.635 -0.068 1.00 0.00 C ATOM 543 O LEU A 81 0.134 8.674 -0.713 1.00 0.00 O ATOM 544 CB LEU A 81 -1.811 6.253 -0.256 1.00 0.00 C ATOM 545 CG LEU A 81 -2.530 4.970 -0.703 1.00 0.00 C ATOM 546 CD1 LEU A 81 -2.226 4.666 -2.160 1.00 0.00 C ATOM 547 CD2 LEU A 81 -2.149 3.786 0.173 1.00 0.00 C ATOM 0 H LEU A 81 -0.136 4.682 0.729 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.179 6.280 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.944 6.366 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.300 7.105 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.602 5.138 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.744 3.754 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.563 5.495 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.152 4.531 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.675 2.895 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.074 3.619 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.425 3.994 1.207 1.00 0.00 H new ATOM 559 N LYS A 82 0.953 7.590 1.079 1.00 0.00 N ATOM 560 CA LYS A 82 1.567 8.785 1.648 1.00 0.00 C ATOM 561 C LYS A 82 3.000 8.949 1.151 1.00 0.00 C ATOM 562 O LYS A 82 3.516 10.064 1.071 1.00 0.00 O ATOM 563 CB LYS A 82 1.553 8.724 3.176 1.00 0.00 C ATOM 564 CG LYS A 82 0.212 9.098 3.787 1.00 0.00 C ATOM 565 CD LYS A 82 0.388 9.852 5.097 1.00 0.00 C ATOM 566 CE LYS A 82 -0.527 11.064 5.171 1.00 0.00 C ATOM 567 NZ LYS A 82 0.103 12.190 5.916 1.00 0.00 N ATOM 0 H LYS A 82 1.086 6.742 1.630 1.00 0.00 H new ATOM 0 HA LYS A 82 0.983 9.646 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.819 7.716 3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.320 9.394 3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.350 9.713 3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.374 8.196 3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.178 9.185 5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.425 10.172 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.778 11.391 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.462 10.784 5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.552 12.997 5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.320 11.886 6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.982 12.474 5.438 1.00 0.00 H new ATOM 581 N MET A 83 3.639 7.830 0.817 1.00 0.00 N ATOM 582 CA MET A 83 5.013 7.853 0.327 1.00 0.00 C ATOM 583 C MET A 83 5.053 8.065 -1.183 1.00 0.00 C ATOM 584 O MET A 83 6.051 8.541 -1.725 1.00 0.00 O ATOM 585 CB MET A 83 5.729 6.550 0.685 1.00 0.00 C ATOM 586 CG MET A 83 6.312 6.540 2.089 1.00 0.00 C ATOM 587 SD MET A 83 8.114 6.454 2.097 1.00 0.00 S ATOM 588 CE MET A 83 8.518 7.638 0.816 1.00 0.00 C ATOM 0 H MET A 83 3.228 6.899 0.877 1.00 0.00 H new ATOM 0 HA MET A 83 5.525 8.687 0.807 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.028 5.721 0.586 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.530 6.377 -0.033 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.993 7.439 2.616 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.910 5.689 2.639 1.00 0.00 H new ATOM 0 HE1 MET A 83 9.521 8.030 0.986 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.480 7.148 -0.157 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.799 8.457 0.838 1.00 0.00 H new ATOM 598 N ASP A 84 3.964 7.709 -1.859 1.00 0.00 N ATOM 599 CA ASP A 84 3.885 7.863 -3.307 1.00 0.00 C ATOM 600 C ASP A 84 3.021 9.063 -3.684 1.00 0.00 C ATOM 601 O ASP A 84 1.794 9.004 -3.607 1.00 0.00 O ATOM 602 CB ASP A 84 3.322 6.593 -3.943 1.00 0.00 C ATOM 603 CG ASP A 84 4.251 5.405 -3.784 1.00 0.00 C ATOM 604 OD1 ASP A 84 5.149 5.236 -4.635 1.00 0.00 O ATOM 605 OD2 ASP A 84 4.080 4.646 -2.808 1.00 0.00 O ATOM 0 H ASP A 84 3.128 7.314 -1.429 1.00 0.00 H new ATOM 0 HA ASP A 84 4.893 8.035 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.358 6.360 -3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.142 6.770 -5.003 1.00 0.00 H new ATOM 610 N SER A 85 3.671 10.149 -4.090 1.00 0.00 N ATOM 611 CA SER A 85 2.964 11.364 -4.481 1.00 0.00 C ATOM 612 C SER A 85 2.145 11.917 -3.319 1.00 0.00 C ATOM 613 O SER A 85 1.176 11.298 -2.880 1.00 0.00 O ATOM 614 CB SER A 85 2.052 11.084 -5.676 1.00 0.00 C ATOM 615 OG SER A 85 2.807 10.827 -6.847 1.00 0.00 O ATOM 0 H SER A 85 4.687 10.213 -4.157 1.00 0.00 H new ATOM 0 HA SER A 85 3.706 12.111 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.413 10.228 -5.457 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.395 11.938 -5.844 1.00 0.00 H new ATOM 0 HG SER A 85 2.200 10.649 -7.595 1.00 0.00 H new ATOM 621 N LEU A 86 2.539 13.087 -2.827 1.00 0.00 N ATOM 622 CA LEU A 86 1.840 13.725 -1.718 1.00 0.00 C ATOM 623 C LEU A 86 2.471 15.071 -1.375 1.00 0.00 C ATOM 624 O LEU A 86 1.771 16.036 -1.070 1.00 0.00 O ATOM 625 CB LEU A 86 1.854 12.815 -0.486 1.00 0.00 C ATOM 626 CG LEU A 86 0.589 12.869 0.372 1.00 0.00 C ATOM 627 CD1 LEU A 86 -0.602 12.318 -0.398 1.00 0.00 C ATOM 628 CD2 LEU A 86 0.791 12.101 1.671 1.00 0.00 C ATOM 0 H LEU A 86 3.339 13.613 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 86 0.808 13.896 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.009 11.787 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.708 13.083 0.136 1.00 0.00 H new ATOM 0 HG LEU A 86 0.385 13.911 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.493 12.364 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.760 12.912 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.408 11.282 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.119 12.151 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.021 11.060 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.616 12.542 2.230 1.00 0.00 H new ATOM 640 N ARG A 87 3.798 15.127 -1.425 1.00 0.00 N ATOM 641 CA ARG A 87 4.523 16.356 -1.118 1.00 0.00 C ATOM 642 C ARG A 87 4.807 17.156 -2.386 1.00 0.00 C ATOM 643 O ARG A 87 4.976 18.373 -2.335 1.00 0.00 O ATOM 644 CB ARG A 87 5.836 16.035 -0.399 1.00 0.00 C ATOM 645 CG ARG A 87 5.720 14.904 0.614 1.00 0.00 C ATOM 646 CD ARG A 87 6.333 15.280 1.954 1.00 0.00 C ATOM 647 NE ARG A 87 5.325 15.377 3.008 1.00 0.00 N ATOM 648 CZ ARG A 87 5.603 15.319 4.309 1.00 0.00 C ATOM 649 NH1 ARG A 87 6.856 15.165 4.721 1.00 0.00 N ATOM 650 NH2 ARG A 87 4.627 15.414 5.201 1.00 0.00 N ATOM 0 H ARG A 87 4.393 14.337 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 87 3.896 16.961 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.590 15.771 -1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.190 16.932 0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.670 14.648 0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 87 6.216 14.015 0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.079 14.536 2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.853 16.233 1.860 1.00 0.00 H new ATOM 0 HE ARG A 87 4.351 15.496 2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.611 15.091 4.040 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.063 15.121 5.719 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.662 15.532 4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.841 15.369 6.197 1.00 0.00 H new ATOM 664 N ASP A 88 4.858 16.468 -3.523 1.00 0.00 N ATOM 665 CA ASP A 88 5.121 17.123 -4.802 1.00 0.00 C ATOM 666 C ASP A 88 3.936 17.987 -5.238 1.00 0.00 C ATOM 667 O ASP A 88 4.045 18.771 -6.181 1.00 0.00 O ATOM 668 CB ASP A 88 5.427 16.080 -5.877 1.00 0.00 C ATOM 669 CG ASP A 88 6.866 15.607 -5.830 1.00 0.00 C ATOM 670 OD1 ASP A 88 7.223 14.890 -4.870 1.00 0.00 O ATOM 671 OD2 ASP A 88 7.636 15.951 -6.751 1.00 0.00 O ATOM 0 H ASP A 88 4.721 15.459 -3.586 1.00 0.00 H new ATOM 0 HA ASP A 88 5.987 17.772 -4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.762 15.226 -5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.218 16.503 -6.860 1.00 0.00 H new ATOM 676 N ILE A 89 2.812 17.852 -4.537 1.00 0.00 N ATOM 677 CA ILE A 89 1.618 18.627 -4.843 1.00 0.00 C ATOM 678 C ILE A 89 1.630 19.911 -4.041 1.00 0.00 C ATOM 679 O ILE A 89 1.596 21.009 -4.596 1.00 0.00 O ATOM 680 CB ILE A 89 0.331 17.841 -4.526 1.00 0.00 C ATOM 681 CG1 ILE A 89 0.376 16.461 -5.179 1.00 0.00 C ATOM 682 CG2 ILE A 89 -0.893 18.618 -4.987 1.00 0.00 C ATOM 683 CD1 ILE A 89 0.240 16.505 -6.682 1.00 0.00 C ATOM 0 H ILE A 89 2.706 17.210 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 89 1.626 18.846 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 89 0.262 17.706 -3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.317 15.975 -4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.424 15.846 -4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.794 18.049 -4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.929 19.579 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.835 18.784 -6.063 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.280 15.491 -7.081 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.713 16.962 -6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.055 17.093 -7.104 1.00 0.00 H new ATOM 695 N GLU A 90 1.718 19.760 -2.724 1.00 0.00 N ATOM 696 CA GLU A 90 1.783 20.905 -1.836 1.00 0.00 C ATOM 697 C GLU A 90 3.049 21.701 -2.135 1.00 0.00 C ATOM 698 O GLU A 90 3.149 22.880 -1.804 1.00 0.00 O ATOM 699 CB GLU A 90 1.776 20.448 -0.375 1.00 0.00 C ATOM 700 CG GLU A 90 1.951 21.583 0.622 1.00 0.00 C ATOM 701 CD GLU A 90 0.963 21.512 1.769 1.00 0.00 C ATOM 702 OE1 GLU A 90 -0.211 21.886 1.566 1.00 0.00 O ATOM 703 OE2 GLU A 90 1.362 21.081 2.872 1.00 0.00 O ATOM 0 H GLU A 90 1.746 18.856 -2.253 1.00 0.00 H new ATOM 0 HA GLU A 90 0.910 21.538 -1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.836 19.936 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.574 19.720 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.966 21.558 1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.834 22.536 0.106 1.00 0.00 H new ATOM 710 N ALA A 91 4.012 21.039 -2.779 1.00 0.00 N ATOM 711 CA ALA A 91 5.272 21.665 -3.146 1.00 0.00 C ATOM 712 C ALA A 91 5.144 22.354 -4.495 1.00 0.00 C ATOM 713 O ALA A 91 5.379 23.557 -4.617 1.00 0.00 O ATOM 714 CB ALA A 91 6.388 20.632 -3.178 1.00 0.00 C ATOM 0 H ALA A 91 3.936 20.060 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 91 5.520 22.416 -2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.324 21.117 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.492 20.178 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.149 19.861 -3.910 1.00 0.00 H new ATOM 720 N LEU A 92 4.741 21.592 -5.512 1.00 0.00 N ATOM 721 CA LEU A 92 4.559 22.158 -6.844 1.00 0.00 C ATOM 722 C LEU A 92 3.667 23.393 -6.758 1.00 0.00 C ATOM 723 O LEU A 92 3.753 24.297 -7.588 1.00 0.00 O ATOM 724 CB LEU A 92 3.937 21.132 -7.795 1.00 0.00 C ATOM 725 CG LEU A 92 4.938 20.330 -8.636 1.00 0.00 C ATOM 726 CD1 LEU A 92 5.514 21.196 -9.745 1.00 0.00 C ATOM 727 CD2 LEU A 92 6.051 19.765 -7.763 1.00 0.00 C ATOM 0 H LEU A 92 4.537 20.595 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 92 5.536 22.439 -7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.338 20.435 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.255 21.651 -8.468 1.00 0.00 H new ATOM 0 HG LEU A 92 4.408 19.493 -9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.222 20.612 -10.332 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.708 21.544 -10.391 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.025 22.054 -9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.748 19.200 -8.382 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.580 20.583 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.622 19.107 -7.007 1.00 0.00 H new ATOM 739 N LEU A 93 2.818 23.423 -5.731 1.00 0.00 N ATOM 740 CA LEU A 93 1.920 24.543 -5.517 1.00 0.00 C ATOM 741 C LEU A 93 2.573 25.597 -4.627 1.00 0.00 C ATOM 742 O LEU A 93 2.411 26.792 -4.857 1.00 0.00 O ATOM 743 CB LEU A 93 0.607 24.066 -4.895 1.00 0.00 C ATOM 744 CG LEU A 93 -0.655 24.492 -5.649 1.00 0.00 C ATOM 745 CD1 LEU A 93 -1.845 23.649 -5.217 1.00 0.00 C ATOM 746 CD2 LEU A 93 -0.935 25.970 -5.426 1.00 0.00 C ATOM 0 H LEU A 93 2.738 22.680 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 93 1.704 24.995 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.626 22.978 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.547 24.443 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.491 24.331 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.733 23.966 -5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.644 22.599 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.012 23.777 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.836 26.256 -5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.079 26.157 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.092 26.559 -5.787 1.00 0.00 H new ATOM 758 N THR A 94 3.323 25.158 -3.615 1.00 0.00 N ATOM 759 CA THR A 94 3.986 26.110 -2.723 1.00 0.00 C ATOM 760 C THR A 94 5.081 26.885 -3.460 1.00 0.00 C ATOM 761 O THR A 94 5.610 27.867 -2.939 1.00 0.00 O ATOM 762 CB THR A 94 4.567 25.410 -1.490 1.00 0.00 C ATOM 763 OG1 THR A 94 4.736 26.334 -0.429 1.00 0.00 O ATOM 764 CG2 THR A 94 5.904 24.757 -1.739 1.00 0.00 C ATOM 0 H THR A 94 3.484 24.175 -3.396 1.00 0.00 H new ATOM 0 HA THR A 94 3.230 26.819 -2.385 1.00 0.00 H new ATOM 0 HB THR A 94 3.847 24.632 -1.236 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.062 27.186 -0.786 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.253 24.282 -0.822 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.802 24.005 -2.521 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.625 25.512 -2.054 1.00 0.00 H new ATOM 772 N GLY A 95 5.418 26.438 -4.670 1.00 0.00 N ATOM 773 CA GLY A 95 6.449 27.107 -5.441 1.00 0.00 C ATOM 774 C GLY A 95 5.954 27.610 -6.785 1.00 0.00 C ATOM 775 O GLY A 95 6.476 28.589 -7.315 1.00 0.00 O ATOM 0 H GLY A 95 4.996 25.629 -5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.837 27.947 -4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.279 26.419 -5.600 1.00 0.00 H new ATOM 779 N LEU A 96 4.950 26.937 -7.347 1.00 0.00 N ATOM 780 CA LEU A 96 4.407 27.334 -8.645 1.00 0.00 C ATOM 781 C LEU A 96 3.082 28.075 -8.509 1.00 0.00 C ATOM 782 O LEU A 96 2.461 28.439 -9.509 1.00 0.00 O ATOM 783 CB LEU A 96 4.223 26.110 -9.537 1.00 0.00 C ATOM 784 CG LEU A 96 4.457 26.354 -11.031 1.00 0.00 C ATOM 785 CD1 LEU A 96 5.256 25.214 -11.643 1.00 0.00 C ATOM 786 CD2 LEU A 96 3.131 26.527 -11.757 1.00 0.00 C ATOM 0 H LEU A 96 4.500 26.123 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 96 5.125 28.016 -9.100 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.905 25.329 -9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.211 25.729 -9.401 1.00 0.00 H new ATOM 0 HG LEU A 96 5.033 27.273 -11.142 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.411 25.407 -12.704 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.222 25.137 -11.143 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.709 24.279 -11.520 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.316 26.699 -12.817 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.530 25.626 -11.636 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.596 27.380 -11.339 1.00 0.00 H new ATOM 798 N PHE A 97 2.653 28.290 -7.274 1.00 0.00 N ATOM 799 CA PHE A 97 1.393 28.988 -6.997 1.00 0.00 C ATOM 800 C PHE A 97 1.198 30.183 -7.926 1.00 0.00 C ATOM 801 O PHE A 97 2.135 30.939 -8.187 1.00 0.00 O ATOM 802 CB PHE A 97 1.351 29.462 -5.542 1.00 0.00 C ATOM 803 CG PHE A 97 2.550 30.272 -5.139 1.00 0.00 C ATOM 804 CD1 PHE A 97 3.721 29.649 -4.739 1.00 0.00 C ATOM 805 CD2 PHE A 97 2.505 31.656 -5.161 1.00 0.00 C ATOM 806 CE1 PHE A 97 4.826 30.392 -4.368 1.00 0.00 C ATOM 807 CE2 PHE A 97 3.607 32.405 -4.791 1.00 0.00 C ATOM 808 CZ PHE A 97 4.768 31.773 -4.395 1.00 0.00 C ATOM 0 H PHE A 97 3.158 27.992 -6.439 1.00 0.00 H new ATOM 0 HA PHE A 97 0.584 28.279 -7.173 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.452 30.059 -5.389 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.273 28.594 -4.888 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.771 28.570 -4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.599 32.156 -5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.733 29.895 -4.058 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.559 33.484 -4.812 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.630 32.356 -4.107 1.00 0.00 H new ATOM 818 N VAL A 98 -0.025 30.348 -8.421 1.00 0.00 N ATOM 819 CA VAL A 98 -0.345 31.450 -9.319 1.00 0.00 C ATOM 820 C VAL A 98 -0.657 32.723 -8.537 1.00 0.00 C ATOM 821 O VAL A 98 -1.230 32.669 -7.448 1.00 0.00 O ATOM 822 CB VAL A 98 -1.542 31.106 -10.227 1.00 0.00 C ATOM 823 CG1 VAL A 98 -2.789 30.844 -9.395 1.00 0.00 C ATOM 824 CG2 VAL A 98 -1.788 32.218 -11.236 1.00 0.00 C ATOM 0 H VAL A 98 -0.811 29.731 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 98 0.534 31.618 -9.942 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.304 30.196 -10.777 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.623 30.603 -10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.607 30.008 -8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.032 31.733 -8.814 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.637 31.955 -11.867 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.002 33.147 -10.708 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.901 32.349 -11.857 1.00 0.00 H new ATOM 993 N ALA B 52 -4.976 -32.958 4.513 1.00 0.00 N ATOM 994 CA ALA B 52 -4.827 -31.628 5.090 1.00 0.00 C ATOM 995 C ALA B 52 -3.361 -31.215 5.156 1.00 0.00 C ATOM 996 O ALA B 52 -2.809 -31.011 6.237 1.00 0.00 O ATOM 997 CB ALA B 52 -5.457 -31.581 6.475 1.00 0.00 C ATOM 0 HA ALA B 52 -5.344 -30.919 4.443 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -5.339 -30.582 6.895 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -6.518 -31.820 6.400 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -4.966 -32.307 7.123 1.00 0.00 H new ATOM 1003 N HIS B 53 -2.734 -31.088 3.990 1.00 0.00 N ATOM 1004 CA HIS B 53 -1.332 -30.698 3.915 1.00 0.00 C ATOM 1005 C HIS B 53 -1.122 -29.624 2.850 1.00 0.00 C ATOM 1006 O HIS B 53 -1.813 -29.605 1.832 1.00 0.00 O ATOM 1007 CB HIS B 53 -0.455 -31.917 3.612 1.00 0.00 C ATOM 1008 CG HIS B 53 -0.646 -32.470 2.234 1.00 0.00 C ATOM 1009 ND1 HIS B 53 -1.725 -33.255 1.879 1.00 0.00 N ATOM 1010 CD2 HIS B 53 0.110 -32.347 1.117 1.00 0.00 C ATOM 1011 CE1 HIS B 53 -1.620 -33.592 0.606 1.00 0.00 C ATOM 1012 NE2 HIS B 53 -0.517 -33.054 0.120 1.00 0.00 N ATOM 0 H HIS B 53 -3.176 -31.250 3.085 1.00 0.00 H new ATOM 0 HA HIS B 53 -1.043 -30.286 4.882 1.00 0.00 H new ATOM 0 HB2 HIS B 53 0.592 -31.641 3.741 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -0.671 -32.699 4.340 1.00 0.00 H new ATOM 0 HD2 HIS B 53 1.034 -31.795 1.027 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -2.319 -34.204 0.056 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -0.184 -33.148 -0.840 1.00 0.00 H new ATOM 1021 N LEU B 54 -0.168 -28.733 3.094 1.00 0.00 N ATOM 1022 CA LEU B 54 0.131 -27.658 2.156 1.00 0.00 C ATOM 1023 C LEU B 54 1.640 -27.495 1.986 1.00 0.00 C ATOM 1024 O LEU B 54 2.149 -27.512 0.867 1.00 0.00 O ATOM 1025 CB LEU B 54 -0.485 -26.341 2.642 1.00 0.00 C ATOM 1026 CG LEU B 54 -1.851 -26.468 3.323 1.00 0.00 C ATOM 1027 CD1 LEU B 54 -1.990 -25.441 4.436 1.00 0.00 C ATOM 1028 CD2 LEU B 54 -2.971 -26.307 2.306 1.00 0.00 C ATOM 0 H LEU B 54 0.412 -28.734 3.933 1.00 0.00 H new ATOM 0 HA LEU B 54 -0.302 -27.918 1.190 1.00 0.00 H new ATOM 0 HB2 LEU B 54 0.208 -25.871 3.340 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -0.584 -25.669 1.789 1.00 0.00 H new ATOM 0 HG LEU B 54 -1.925 -27.463 3.762 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -2.967 -25.546 4.908 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -1.209 -25.601 5.179 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -1.895 -24.438 4.020 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -3.934 -26.400 2.808 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -2.899 -25.325 1.838 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -2.883 -27.080 1.543 1.00 0.00 H new ATOM 1040 N THR B 55 2.334 -27.349 3.119 1.00 0.00 N ATOM 1041 CA THR B 55 3.796 -27.189 3.163 1.00 0.00 C ATOM 1042 C THR B 55 4.393 -26.693 1.840 1.00 0.00 C ATOM 1043 O THR B 55 4.598 -25.494 1.656 1.00 0.00 O ATOM 1044 CB THR B 55 4.449 -28.509 3.579 1.00 0.00 C ATOM 1045 OG1 THR B 55 4.008 -28.900 4.868 1.00 0.00 O ATOM 1046 CG2 THR B 55 5.961 -28.451 3.611 1.00 0.00 C ATOM 0 H THR B 55 1.896 -27.338 4.040 1.00 0.00 H new ATOM 0 HA THR B 55 4.008 -26.417 3.903 1.00 0.00 H new ATOM 0 HB THR B 55 4.148 -29.230 2.819 1.00 0.00 H new ATOM 0 HG1 THR B 55 4.434 -29.747 5.117 1.00 0.00 H new ATOM 0 HG21 THR B 55 6.356 -29.421 3.914 1.00 0.00 H new ATOM 0 HG22 THR B 55 6.337 -28.200 2.619 1.00 0.00 H new ATOM 0 HG23 THR B 55 6.281 -27.690 4.323 1.00 0.00 H new ATOM 1054 N GLU B 56 4.688 -27.617 0.932 1.00 0.00 N ATOM 1055 CA GLU B 56 5.276 -27.260 -0.354 1.00 0.00 C ATOM 1056 C GLU B 56 4.371 -26.309 -1.133 1.00 0.00 C ATOM 1057 O GLU B 56 4.708 -25.141 -1.339 1.00 0.00 O ATOM 1058 CB GLU B 56 5.546 -28.522 -1.180 1.00 0.00 C ATOM 1059 CG GLU B 56 7.024 -28.827 -1.360 1.00 0.00 C ATOM 1060 CD GLU B 56 7.403 -29.045 -2.813 1.00 0.00 C ATOM 1061 OE1 GLU B 56 7.715 -28.049 -3.500 1.00 0.00 O ATOM 1062 OE2 GLU B 56 7.388 -30.210 -3.261 1.00 0.00 O ATOM 0 H GLU B 56 4.530 -28.616 1.062 1.00 0.00 H new ATOM 0 HA GLU B 56 6.219 -26.748 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU B 56 5.064 -29.372 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU B 56 5.085 -28.410 -2.161 1.00 0.00 H new ATOM 0 HG2 GLU B 56 7.613 -28.004 -0.954 1.00 0.00 H new ATOM 0 HG3 GLU B 56 7.280 -29.716 -0.784 1.00 0.00 H new ATOM 1069 N VAL B 57 3.226 -26.817 -1.573 1.00 0.00 N ATOM 1070 CA VAL B 57 2.285 -26.012 -2.341 1.00 0.00 C ATOM 1071 C VAL B 57 1.920 -24.720 -1.611 1.00 0.00 C ATOM 1072 O VAL B 57 1.609 -23.706 -2.247 1.00 0.00 O ATOM 1073 CB VAL B 57 1.000 -26.791 -2.664 1.00 0.00 C ATOM 1074 CG1 VAL B 57 0.121 -25.988 -3.614 1.00 0.00 C ATOM 1075 CG2 VAL B 57 1.335 -28.151 -3.257 1.00 0.00 C ATOM 0 H VAL B 57 2.928 -27.779 -1.412 1.00 0.00 H new ATOM 0 HA VAL B 57 2.789 -25.761 -3.274 1.00 0.00 H new ATOM 0 HB VAL B 57 0.448 -26.952 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -0.786 -26.551 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -0.145 -25.039 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL B 57 0.664 -25.798 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL B 57 0.413 -28.688 -3.479 1.00 0.00 H new ATOM 0 HG22 VAL B 57 1.907 -28.017 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL B 57 1.925 -28.724 -2.542 1.00 0.00 H new ATOM 1085 N GLU B 58 1.980 -24.744 -0.278 1.00 0.00 N ATOM 1086 CA GLU B 58 1.669 -23.558 0.502 1.00 0.00 C ATOM 1087 C GLU B 58 2.721 -22.496 0.236 1.00 0.00 C ATOM 1088 O GLU B 58 2.407 -21.343 -0.054 1.00 0.00 O ATOM 1089 CB GLU B 58 1.576 -23.903 1.995 1.00 0.00 C ATOM 1090 CG GLU B 58 2.790 -23.492 2.809 1.00 0.00 C ATOM 1091 CD GLU B 58 2.720 -23.966 4.247 1.00 0.00 C ATOM 1092 OE1 GLU B 58 2.295 -25.120 4.471 1.00 0.00 O ATOM 1093 OE2 GLU B 58 3.089 -23.185 5.148 1.00 0.00 O ATOM 0 H GLU B 58 2.238 -25.563 0.272 1.00 0.00 H new ATOM 0 HA GLU B 58 0.697 -23.166 0.203 1.00 0.00 H new ATOM 0 HB2 GLU B 58 0.693 -23.420 2.413 1.00 0.00 H new ATOM 0 HB3 GLU B 58 1.431 -24.978 2.099 1.00 0.00 H new ATOM 0 HG2 GLU B 58 3.689 -23.895 2.342 1.00 0.00 H new ATOM 0 HG3 GLU B 58 2.882 -22.406 2.793 1.00 0.00 H new ATOM 1100 N SER B 59 3.974 -22.909 0.281 1.00 0.00 N ATOM 1101 CA SER B 59 5.068 -22.002 -0.011 1.00 0.00 C ATOM 1102 C SER B 59 5.017 -21.633 -1.489 1.00 0.00 C ATOM 1103 O SER B 59 5.621 -20.655 -1.926 1.00 0.00 O ATOM 1104 CB SER B 59 6.411 -22.649 0.329 1.00 0.00 C ATOM 1105 OG SER B 59 7.312 -21.699 0.870 1.00 0.00 O ATOM 0 H SER B 59 4.258 -23.860 0.515 1.00 0.00 H new ATOM 0 HA SER B 59 4.967 -21.103 0.598 1.00 0.00 H new ATOM 0 HB2 SER B 59 6.258 -23.458 1.044 1.00 0.00 H new ATOM 0 HB3 SER B 59 6.842 -23.093 -0.568 1.00 0.00 H new ATOM 0 HG SER B 59 8.163 -22.138 1.081 1.00 0.00 H new ATOM 1111 N ARG B 60 4.280 -22.443 -2.253 1.00 0.00 N ATOM 1112 CA ARG B 60 4.130 -22.237 -3.678 1.00 0.00 C ATOM 1113 C ARG B 60 3.273 -21.029 -3.982 1.00 0.00 C ATOM 1114 O ARG B 60 3.788 -20.001 -4.411 1.00 0.00 O ATOM 1115 CB ARG B 60 3.518 -23.480 -4.323 1.00 0.00 C ATOM 1116 CG ARG B 60 4.143 -23.852 -5.659 1.00 0.00 C ATOM 1117 CD ARG B 60 4.090 -22.697 -6.646 1.00 0.00 C ATOM 1118 NE ARG B 60 2.793 -22.602 -7.311 1.00 0.00 N ATOM 1119 CZ ARG B 60 2.591 -21.940 -8.447 1.00 0.00 C ATOM 1120 NH1 ARG B 60 3.596 -21.317 -9.050 1.00 0.00 N ATOM 1121 NH2 ARG B 60 1.379 -21.903 -8.984 1.00 0.00 N ATOM 0 H ARG B 60 3.776 -23.254 -1.894 1.00 0.00 H new ATOM 0 HA ARG B 60 5.122 -22.057 -4.093 1.00 0.00 H new ATOM 0 HB2 ARG B 60 3.622 -24.321 -3.638 1.00 0.00 H new ATOM 0 HB3 ARG B 60 2.450 -23.315 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG B 60 5.180 -24.152 -5.505 1.00 0.00 H new ATOM 0 HG3 ARG B 60 3.621 -24.713 -6.078 1.00 0.00 H new ATOM 0 HD2 ARG B 60 4.298 -21.764 -6.123 1.00 0.00 H new ATOM 0 HD3 ARG B 60 4.872 -22.824 -7.394 1.00 0.00 H new ATOM 0 HE ARG B 60 1.996 -23.070 -6.879 1.00 0.00 H new ATOM 0 HH11 ARG B 60 4.531 -21.344 -8.643 1.00 0.00 H new ATOM 0 HH12 ARG B 60 3.434 -20.811 -9.921 1.00 0.00 H new ATOM 0 HH21 ARG B 60 0.603 -22.382 -8.526 1.00 0.00 H new ATOM 0 HH22 ARG B 60 1.222 -21.396 -9.855 1.00 0.00 H new ATOM 1135 N LEU B 61 1.963 -21.140 -3.779 1.00 0.00 N ATOM 1136 CA LEU B 61 1.097 -20.011 -4.067 1.00 0.00 C ATOM 1137 C LEU B 61 1.468 -18.834 -3.175 1.00 0.00 C ATOM 1138 O LEU B 61 1.395 -17.668 -3.587 1.00 0.00 O ATOM 1139 CB LEU B 61 -0.366 -20.406 -3.923 1.00 0.00 C ATOM 1140 CG LEU B 61 -0.964 -21.025 -5.187 1.00 0.00 C ATOM 1141 CD1 LEU B 61 -1.128 -19.972 -6.270 1.00 0.00 C ATOM 1142 CD2 LEU B 61 -0.089 -22.167 -5.687 1.00 0.00 C ATOM 0 H LEU B 61 1.493 -21.974 -3.427 1.00 0.00 H new ATOM 0 HA LEU B 61 1.239 -19.700 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -0.462 -21.116 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -0.946 -19.524 -3.652 1.00 0.00 H new ATOM 0 HG LEU B 61 -1.948 -21.424 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -1.555 -20.431 -7.162 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -1.792 -19.184 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -0.155 -19.544 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -0.530 -22.596 -6.587 1.00 0.00 H new ATOM 0 HD22 LEU B 61 0.907 -21.789 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -0.018 -22.935 -4.917 1.00 0.00 H new ATOM 1154 N GLU B 62 1.923 -19.154 -1.969 1.00 0.00 N ATOM 1155 CA GLU B 62 2.365 -18.129 -1.039 1.00 0.00 C ATOM 1156 C GLU B 62 3.539 -17.373 -1.646 1.00 0.00 C ATOM 1157 O GLU B 62 3.658 -16.161 -1.480 1.00 0.00 O ATOM 1158 CB GLU B 62 2.767 -18.745 0.300 1.00 0.00 C ATOM 1159 CG GLU B 62 3.185 -17.718 1.342 1.00 0.00 C ATOM 1160 CD GLU B 62 2.533 -17.953 2.689 1.00 0.00 C ATOM 1161 OE1 GLU B 62 2.607 -19.091 3.196 1.00 0.00 O ATOM 1162 OE2 GLU B 62 1.945 -16.997 3.240 1.00 0.00 O ATOM 0 H GLU B 62 1.994 -20.109 -1.617 1.00 0.00 H new ATOM 0 HA GLU B 62 1.542 -17.439 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU B 62 1.930 -19.325 0.689 1.00 0.00 H new ATOM 0 HB3 GLU B 62 3.590 -19.441 0.138 1.00 0.00 H new ATOM 0 HG2 GLU B 62 4.269 -17.744 1.458 1.00 0.00 H new ATOM 0 HG3 GLU B 62 2.927 -16.720 0.987 1.00 0.00 H new ATOM 1169 N ARG B 63 4.395 -18.095 -2.378 1.00 0.00 N ATOM 1170 CA ARG B 63 5.537 -17.469 -3.033 1.00 0.00 C ATOM 1171 C ARG B 63 5.095 -16.813 -4.341 1.00 0.00 C ATOM 1172 O ARG B 63 5.808 -15.986 -4.909 1.00 0.00 O ATOM 1173 CB ARG B 63 6.631 -18.504 -3.308 1.00 0.00 C ATOM 1174 CG ARG B 63 7.842 -17.936 -4.032 1.00 0.00 C ATOM 1175 CD ARG B 63 8.829 -19.029 -4.409 1.00 0.00 C ATOM 1176 NE ARG B 63 9.619 -18.671 -5.585 1.00 0.00 N ATOM 1177 CZ ARG B 63 10.739 -19.293 -5.944 1.00 0.00 C ATOM 1178 NH1 ARG B 63 11.202 -20.308 -5.223 1.00 0.00 N ATOM 1179 NH2 ARG B 63 11.398 -18.902 -7.026 1.00 0.00 N ATOM 0 H ARG B 63 4.316 -19.101 -2.528 1.00 0.00 H new ATOM 0 HA ARG B 63 5.942 -16.704 -2.370 1.00 0.00 H new ATOM 0 HB2 ARG B 63 6.955 -18.938 -2.362 1.00 0.00 H new ATOM 0 HB3 ARG B 63 6.210 -19.315 -3.903 1.00 0.00 H new ATOM 0 HG2 ARG B 63 7.517 -17.412 -4.931 1.00 0.00 H new ATOM 0 HG3 ARG B 63 8.336 -17.202 -3.396 1.00 0.00 H new ATOM 0 HD2 ARG B 63 9.496 -19.221 -3.569 1.00 0.00 H new ATOM 0 HD3 ARG B 63 8.288 -19.955 -4.604 1.00 0.00 H new ATOM 0 HE ARG B 63 9.292 -17.898 -6.165 1.00 0.00 H new ATOM 0 HH11 ARG B 63 10.698 -20.614 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG B 63 12.061 -20.782 -5.502 1.00 0.00 H new ATOM 0 HH21 ARG B 63 11.046 -18.124 -7.584 1.00 0.00 H new ATOM 0 HH22 ARG B 63 12.257 -19.379 -7.301 1.00 0.00 H new ATOM 1193 N LEU B 64 3.906 -17.194 -4.810 1.00 0.00 N ATOM 1194 CA LEU B 64 3.348 -16.657 -6.045 1.00 0.00 C ATOM 1195 C LEU B 64 2.749 -15.284 -5.800 1.00 0.00 C ATOM 1196 O LEU B 64 2.680 -14.447 -6.700 1.00 0.00 O ATOM 1197 CB LEU B 64 2.293 -17.629 -6.602 1.00 0.00 C ATOM 1198 CG LEU B 64 1.136 -17.005 -7.402 1.00 0.00 C ATOM 1199 CD1 LEU B 64 0.950 -17.733 -8.724 1.00 0.00 C ATOM 1200 CD2 LEU B 64 -0.158 -17.035 -6.590 1.00 0.00 C ATOM 0 H LEU B 64 3.309 -17.879 -4.346 1.00 0.00 H new ATOM 0 HA LEU B 64 4.143 -16.548 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU B 64 2.799 -18.351 -7.242 1.00 0.00 H new ATOM 0 HB3 LEU B 64 1.868 -18.186 -5.767 1.00 0.00 H new ATOM 0 HG LEU B 64 1.386 -15.965 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU B 64 0.128 -17.279 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU B 64 1.866 -17.661 -9.311 1.00 0.00 H new ATOM 0 HD13 LEU B 64 0.723 -18.782 -8.533 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -0.964 -16.589 -7.173 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -0.412 -18.067 -6.349 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -0.022 -16.470 -5.668 1.00 0.00 H new ATOM 1212 N GLU B 65 2.327 -15.066 -4.573 1.00 0.00 N ATOM 1213 CA GLU B 65 1.733 -13.797 -4.181 1.00 0.00 C ATOM 1214 C GLU B 65 2.725 -12.946 -3.392 1.00 0.00 C ATOM 1215 O GLU B 65 2.586 -11.726 -3.318 1.00 0.00 O ATOM 1216 CB GLU B 65 0.474 -14.049 -3.359 1.00 0.00 C ATOM 1217 CG GLU B 65 -0.465 -15.058 -4.003 1.00 0.00 C ATOM 1218 CD GLU B 65 -1.526 -14.399 -4.863 1.00 0.00 C ATOM 1219 OE1 GLU B 65 -1.284 -13.275 -5.348 1.00 0.00 O ATOM 1220 OE2 GLU B 65 -2.600 -15.009 -5.051 1.00 0.00 O ATOM 0 H GLU B 65 2.383 -15.754 -3.822 1.00 0.00 H new ATOM 0 HA GLU B 65 1.467 -13.246 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU B 65 0.759 -14.406 -2.369 1.00 0.00 H new ATOM 0 HB3 GLU B 65 -0.056 -13.107 -3.218 1.00 0.00 H new ATOM 0 HG2 GLU B 65 0.115 -15.750 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU B 65 -0.948 -15.648 -3.224 1.00 0.00 H new ATOM 1227 N GLN B 66 3.731 -13.595 -2.810 1.00 0.00 N ATOM 1228 CA GLN B 66 4.748 -12.889 -2.039 1.00 0.00 C ATOM 1229 C GLN B 66 5.542 -11.961 -2.948 1.00 0.00 C ATOM 1230 O GLN B 66 5.928 -10.861 -2.549 1.00 0.00 O ATOM 1231 CB GLN B 66 5.686 -13.884 -1.354 1.00 0.00 C ATOM 1232 CG GLN B 66 5.320 -14.167 0.094 1.00 0.00 C ATOM 1233 CD GLN B 66 6.533 -14.231 1.001 1.00 0.00 C ATOM 1234 OE1 GLN B 66 7.237 -15.240 1.047 1.00 0.00 O ATOM 1235 NE2 GLN B 66 6.784 -13.150 1.730 1.00 0.00 N ATOM 0 H GLN B 66 3.862 -14.605 -2.858 1.00 0.00 H new ATOM 0 HA GLN B 66 4.253 -12.294 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN B 66 5.679 -14.821 -1.912 1.00 0.00 H new ATOM 0 HB3 GLN B 66 6.704 -13.497 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN B 66 4.644 -13.391 0.452 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.779 -15.112 0.150 1.00 0.00 H new ATOM 0 HE21 GLN B 66 6.174 -12.335 1.661 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.587 -13.134 2.359 1.00 0.00 H new ATOM 1244 N LEU B 67 5.771 -12.409 -4.177 1.00 0.00 N ATOM 1245 CA LEU B 67 6.505 -11.619 -5.157 1.00 0.00 C ATOM 1246 C LEU B 67 5.582 -10.614 -5.845 1.00 0.00 C ATOM 1247 O LEU B 67 6.016 -9.847 -6.705 1.00 0.00 O ATOM 1248 CB LEU B 67 7.153 -12.534 -6.198 1.00 0.00 C ATOM 1249 CG LEU B 67 8.582 -12.153 -6.596 1.00 0.00 C ATOM 1250 CD1 LEU B 67 9.570 -13.206 -6.120 1.00 0.00 C ATOM 1251 CD2 LEU B 67 8.686 -11.966 -8.103 1.00 0.00 C ATOM 0 H LEU B 67 5.458 -13.318 -4.519 1.00 0.00 H new ATOM 0 HA LEU B 67 7.286 -11.068 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU B 67 7.159 -13.553 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU B 67 6.531 -12.538 -7.093 1.00 0.00 H new ATOM 0 HG LEU B 67 8.830 -11.207 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU B 67 10.579 -12.917 -6.413 1.00 0.00 H new ATOM 0 HD12 LEU B 67 9.517 -13.290 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU B 67 9.323 -14.167 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU B 67 9.709 -11.696 -8.366 1.00 0.00 H new ATOM 0 HD22 LEU B 67 8.416 -12.895 -8.604 1.00 0.00 H new ATOM 0 HD23 LEU B 67 8.008 -11.173 -8.419 1.00 0.00 H new ATOM 1263 N PHE B 68 4.303 -10.626 -5.462 1.00 0.00 N ATOM 1264 CA PHE B 68 3.314 -9.721 -6.037 1.00 0.00 C ATOM 1265 C PHE B 68 3.056 -10.050 -7.509 1.00 0.00 C ATOM 1266 O PHE B 68 2.258 -10.934 -7.818 1.00 0.00 O ATOM 1267 CB PHE B 68 3.760 -8.262 -5.872 1.00 0.00 C ATOM 1268 CG PHE B 68 3.814 -7.808 -4.441 1.00 0.00 C ATOM 1269 CD1 PHE B 68 2.650 -7.640 -3.708 1.00 0.00 C ATOM 1270 CD2 PHE B 68 5.030 -7.551 -3.830 1.00 0.00 C ATOM 1271 CE1 PHE B 68 2.699 -7.221 -2.392 1.00 0.00 C ATOM 1272 CE2 PHE B 68 5.084 -7.133 -2.513 1.00 0.00 C ATOM 1273 CZ PHE B 68 3.918 -6.968 -1.793 1.00 0.00 C ATOM 0 H PHE B 68 3.930 -11.257 -4.753 1.00 0.00 H new ATOM 0 HA PHE B 68 2.376 -9.856 -5.498 1.00 0.00 H new ATOM 0 HB2 PHE B 68 4.746 -8.139 -6.321 1.00 0.00 H new ATOM 0 HB3 PHE B 68 3.076 -7.617 -6.424 1.00 0.00 H new ATOM 0 HD1 PHE B 68 1.694 -7.839 -4.170 1.00 0.00 H new ATOM 0 HD2 PHE B 68 5.946 -7.678 -4.388 1.00 0.00 H new ATOM 0 HE1 PHE B 68 1.785 -7.091 -1.832 1.00 0.00 H new ATOM 0 HE2 PHE B 68 6.038 -6.936 -2.048 1.00 0.00 H new ATOM 0 HZ PHE B 68 3.958 -6.642 -0.764 1.00 0.00 H new ATOM 1283 N LEU B 69 3.729 -9.339 -8.418 1.00 0.00 N ATOM 1284 CA LEU B 69 3.556 -9.570 -9.850 1.00 0.00 C ATOM 1285 C LEU B 69 2.077 -9.655 -10.223 1.00 0.00 C ATOM 1286 O LEU B 69 1.710 -10.322 -11.190 1.00 0.00 O ATOM 1287 CB LEU B 69 4.275 -10.853 -10.271 1.00 0.00 C ATOM 1288 CG LEU B 69 4.257 -11.142 -11.775 1.00 0.00 C ATOM 1289 CD1 LEU B 69 5.665 -11.406 -12.288 1.00 0.00 C ATOM 1290 CD2 LEU B 69 3.350 -12.324 -12.082 1.00 0.00 C ATOM 0 H LEU B 69 4.395 -8.602 -8.187 1.00 0.00 H new ATOM 0 HA LEU B 69 3.993 -8.723 -10.380 1.00 0.00 H new ATOM 0 HB2 LEU B 69 5.312 -10.796 -9.940 1.00 0.00 H new ATOM 0 HB3 LEU B 69 3.820 -11.695 -9.749 1.00 0.00 H new ATOM 0 HG LEU B 69 3.864 -10.263 -12.286 1.00 0.00 H new ATOM 0 HD11 LEU B 69 5.630 -11.609 -13.358 1.00 0.00 H new ATOM 0 HD12 LEU B 69 6.289 -10.531 -12.105 1.00 0.00 H new ATOM 0 HD13 LEU B 69 6.086 -12.267 -11.769 1.00 0.00 H new ATOM 0 HD21 LEU B 69 3.350 -12.514 -13.155 1.00 0.00 H new ATOM 0 HD22 LEU B 69 3.713 -13.207 -11.557 1.00 0.00 H new ATOM 0 HD23 LEU B 69 2.335 -12.099 -11.754 1.00 0.00 H new ATOM 1302 N LEU B 70 1.232 -8.980 -9.448 1.00 0.00 N ATOM 1303 CA LEU B 70 -0.204 -8.988 -9.699 1.00 0.00 C ATOM 1304 C LEU B 70 -0.868 -7.736 -9.136 1.00 0.00 C ATOM 1305 O LEU B 70 -1.685 -7.102 -9.803 1.00 0.00 O ATOM 1306 CB LEU B 70 -0.844 -10.234 -9.083 1.00 0.00 C ATOM 1307 CG LEU B 70 -0.434 -11.561 -9.724 1.00 0.00 C ATOM 1308 CD1 LEU B 70 -0.975 -12.730 -8.916 1.00 0.00 C ATOM 1309 CD2 LEU B 70 -0.922 -11.633 -11.164 1.00 0.00 C ATOM 0 H LEU B 70 1.517 -8.422 -8.643 1.00 0.00 H new ATOM 0 HA LEU B 70 -0.354 -9.002 -10.779 1.00 0.00 H new ATOM 0 HB2 LEU B 70 -0.591 -10.267 -8.023 1.00 0.00 H new ATOM 0 HB3 LEU B 70 -1.928 -10.137 -9.149 1.00 0.00 H new ATOM 0 HG LEU B 70 0.654 -11.620 -9.729 1.00 0.00 H new ATOM 0 HD11 LEU B 70 -0.675 -13.667 -9.385 1.00 0.00 H new ATOM 0 HD12 LEU B 70 -0.576 -12.688 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU B 70 -2.063 -12.675 -8.880 1.00 0.00 H new ATOM 0 HD21 LEU B 70 -0.621 -12.584 -11.603 1.00 0.00 H new ATOM 0 HD22 LEU B 70 -2.009 -11.552 -11.184 1.00 0.00 H new ATOM 0 HD23 LEU B 70 -0.486 -10.815 -11.737 1.00 0.00 H new ATOM 1321 N ILE B 71 -0.515 -7.384 -7.902 1.00 0.00 N ATOM 1322 CA ILE B 71 -1.083 -6.210 -7.253 1.00 0.00 C ATOM 1323 C ILE B 71 -0.786 -4.943 -8.052 1.00 0.00 C ATOM 1324 O ILE B 71 -1.581 -4.002 -8.059 1.00 0.00 O ATOM 1325 CB ILE B 71 -0.557 -6.055 -5.809 1.00 0.00 C ATOM 1326 CG1 ILE B 71 -1.357 -4.984 -5.054 1.00 0.00 C ATOM 1327 CG2 ILE B 71 0.931 -5.731 -5.805 1.00 0.00 C ATOM 1328 CD1 ILE B 71 -1.001 -3.560 -5.428 1.00 0.00 C ATOM 0 H ILE B 71 0.161 -7.895 -7.334 1.00 0.00 H new ATOM 0 HA ILE B 71 -2.163 -6.355 -7.213 1.00 0.00 H new ATOM 0 HB ILE B 71 -0.692 -7.005 -5.292 1.00 0.00 H new ATOM 0 HG12 ILE B 71 -2.419 -5.142 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE B 71 -1.199 -5.116 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE B 71 1.278 -5.627 -4.777 1.00 0.00 H new ATOM 0 HG22 ILE B 71 1.480 -6.536 -6.293 1.00 0.00 H new ATOM 0 HG23 ILE B 71 1.102 -4.798 -6.342 1.00 0.00 H new ATOM 0 HD11 ILE B 71 -1.612 -2.868 -4.849 1.00 0.00 H new ATOM 0 HD12 ILE B 71 0.053 -3.380 -5.214 1.00 0.00 H new ATOM 0 HD13 ILE B 71 -1.187 -3.406 -6.491 1.00 0.00 H new ATOM 1340 N PHE B 72 0.358 -4.927 -8.732 1.00 0.00 N ATOM 1341 CA PHE B 72 0.749 -3.777 -9.541 1.00 0.00 C ATOM 1342 C PHE B 72 1.001 -4.192 -10.991 1.00 0.00 C ATOM 1343 O PHE B 72 2.145 -4.278 -11.435 1.00 0.00 O ATOM 1344 CB PHE B 72 1.994 -3.102 -8.952 1.00 0.00 C ATOM 1345 CG PHE B 72 3.241 -3.937 -9.031 1.00 0.00 C ATOM 1346 CD1 PHE B 72 3.380 -5.078 -8.257 1.00 0.00 C ATOM 1347 CD2 PHE B 72 4.277 -3.578 -9.878 1.00 0.00 C ATOM 1348 CE1 PHE B 72 4.527 -5.844 -8.326 1.00 0.00 C ATOM 1349 CE2 PHE B 72 5.426 -4.341 -9.952 1.00 0.00 C ATOM 1350 CZ PHE B 72 5.553 -5.475 -9.175 1.00 0.00 C ATOM 0 H PHE B 72 1.028 -5.696 -8.739 1.00 0.00 H new ATOM 0 HA PHE B 72 -0.072 -3.060 -9.530 1.00 0.00 H new ATOM 0 HB2 PHE B 72 2.166 -2.161 -9.475 1.00 0.00 H new ATOM 0 HB3 PHE B 72 1.801 -2.855 -7.908 1.00 0.00 H new ATOM 0 HD1 PHE B 72 2.582 -5.372 -7.592 1.00 0.00 H new ATOM 0 HD2 PHE B 72 4.185 -2.691 -10.488 1.00 0.00 H new ATOM 0 HE1 PHE B 72 4.622 -6.731 -7.717 1.00 0.00 H new ATOM 0 HE2 PHE B 72 6.225 -4.050 -10.618 1.00 0.00 H new ATOM 0 HZ PHE B 72 6.451 -6.072 -9.230 1.00 0.00 H new ATOM 1360 N PRO B 73 -0.075 -4.462 -11.751 1.00 0.00 N ATOM 1361 CA PRO B 73 0.024 -4.875 -13.147 1.00 0.00 C ATOM 1362 C PRO B 73 0.071 -3.693 -14.115 1.00 0.00 C ATOM 1363 O PRO B 73 -0.149 -3.856 -15.314 1.00 0.00 O ATOM 1364 CB PRO B 73 -1.263 -5.671 -13.342 1.00 0.00 C ATOM 1365 CG PRO B 73 -2.257 -5.000 -12.451 1.00 0.00 C ATOM 1366 CD PRO B 73 -1.480 -4.393 -11.305 1.00 0.00 C ATOM 0 HA PRO B 73 0.939 -5.431 -13.350 1.00 0.00 H new ATOM 0 HB2 PRO B 73 -1.587 -5.653 -14.383 1.00 0.00 H new ATOM 0 HB3 PRO B 73 -1.128 -6.717 -13.068 1.00 0.00 H new ATOM 0 HG2 PRO B 73 -2.806 -4.232 -12.995 1.00 0.00 H new ATOM 0 HG3 PRO B 73 -2.991 -5.717 -12.083 1.00 0.00 H new ATOM 0 HD2 PRO B 73 -1.788 -3.365 -11.114 1.00 0.00 H new ATOM 0 HD3 PRO B 73 -1.633 -4.949 -10.380 1.00 0.00 H new ATOM 1374 N ARG B 74 0.358 -2.506 -13.589 1.00 0.00 N ATOM 1375 CA ARG B 74 0.429 -1.306 -14.415 1.00 0.00 C ATOM 1376 C ARG B 74 1.822 -1.138 -15.014 1.00 0.00 C ATOM 1377 O ARG B 74 1.982 -1.080 -16.234 1.00 0.00 O ATOM 1378 CB ARG B 74 0.064 -0.070 -13.590 1.00 0.00 C ATOM 1379 CG ARG B 74 -1.420 0.257 -13.606 1.00 0.00 C ATOM 1380 CD ARG B 74 -1.849 0.833 -14.946 1.00 0.00 C ATOM 1381 NE ARG B 74 -2.673 -0.104 -15.708 1.00 0.00 N ATOM 1382 CZ ARG B 74 -3.454 0.252 -16.724 1.00 0.00 C ATOM 1383 NH1 ARG B 74 -3.523 1.522 -17.106 1.00 0.00 N ATOM 1384 NH2 ARG B 74 -4.171 -0.664 -17.361 1.00 0.00 N ATOM 0 H ARG B 74 0.544 -2.350 -12.598 1.00 0.00 H new ATOM 0 HA ARG B 74 -0.287 -1.415 -15.230 1.00 0.00 H new ATOM 0 HB2 ARG B 74 0.382 -0.225 -12.559 1.00 0.00 H new ATOM 0 HB3 ARG B 74 0.620 0.787 -13.970 1.00 0.00 H new ATOM 0 HG2 ARG B 74 -1.995 -0.645 -13.396 1.00 0.00 H new ATOM 0 HG3 ARG B 74 -1.645 0.970 -12.813 1.00 0.00 H new ATOM 0 HD2 ARG B 74 -2.406 1.755 -14.782 1.00 0.00 H new ATOM 0 HD3 ARG B 74 -0.965 1.094 -15.528 1.00 0.00 H new ATOM 0 HE ARG B 74 -2.647 -1.089 -15.445 1.00 0.00 H new ATOM 0 HH11 ARG B 74 -2.975 2.231 -16.619 1.00 0.00 H new ATOM 0 HH12 ARG B 74 -4.124 1.788 -17.886 1.00 0.00 H new ATOM 0 HH21 ARG B 74 -4.123 -1.641 -17.072 1.00 0.00 H new ATOM 0 HH22 ARG B 74 -4.770 -0.392 -18.140 1.00 0.00 H new ATOM 1398 N GLU B 75 2.828 -1.061 -14.150 1.00 0.00 N ATOM 1399 CA GLU B 75 4.209 -0.898 -14.593 1.00 0.00 C ATOM 1400 C GLU B 75 4.370 0.380 -15.414 1.00 0.00 C ATOM 1401 O GLU B 75 5.218 0.455 -16.303 1.00 0.00 O ATOM 1402 CB GLU B 75 4.646 -2.112 -15.417 1.00 0.00 C ATOM 1403 CG GLU B 75 5.821 -2.863 -14.813 1.00 0.00 C ATOM 1404 CD GLU B 75 5.417 -4.199 -14.219 1.00 0.00 C ATOM 1405 OE1 GLU B 75 5.002 -5.090 -14.989 1.00 0.00 O ATOM 1406 OE2 GLU B 75 5.515 -4.353 -12.984 1.00 0.00 O ATOM 0 H GLU B 75 2.714 -1.109 -13.138 1.00 0.00 H new ATOM 0 HA GLU B 75 4.844 -0.820 -13.710 1.00 0.00 H new ATOM 0 HB2 GLU B 75 3.802 -2.795 -15.519 1.00 0.00 H new ATOM 0 HB3 GLU B 75 4.913 -1.783 -16.421 1.00 0.00 H new ATOM 0 HG2 GLU B 75 6.577 -3.025 -15.581 1.00 0.00 H new ATOM 0 HG3 GLU B 75 6.280 -2.249 -14.038 1.00 0.00 H new ATOM 1413 N ASP B 76 3.550 1.380 -15.109 1.00 0.00 N ATOM 1414 CA ASP B 76 3.601 2.654 -15.818 1.00 0.00 C ATOM 1415 C ASP B 76 2.980 3.765 -14.979 1.00 0.00 C ATOM 1416 O ASP B 76 3.582 4.822 -14.784 1.00 0.00 O ATOM 1417 CB ASP B 76 2.874 2.544 -17.159 1.00 0.00 C ATOM 1418 CG ASP B 76 3.648 1.718 -18.168 1.00 0.00 C ATOM 1419 OD1 ASP B 76 4.872 1.923 -18.291 1.00 0.00 O ATOM 1420 OD2 ASP B 76 3.026 0.865 -18.838 1.00 0.00 O ATOM 0 H ASP B 76 2.842 1.333 -14.376 1.00 0.00 H new ATOM 0 HA ASP B 76 4.647 2.901 -16.000 1.00 0.00 H new ATOM 0 HB2 ASP B 76 1.893 2.096 -17.002 1.00 0.00 H new ATOM 0 HB3 ASP B 76 2.707 3.543 -17.562 1.00 0.00 H new ATOM 1425 N LEU B 77 1.773 3.520 -14.480 1.00 0.00 N ATOM 1426 CA LEU B 77 1.069 4.499 -13.660 1.00 0.00 C ATOM 1427 C LEU B 77 0.772 3.933 -12.275 1.00 0.00 C ATOM 1428 O LEU B 77 1.151 2.806 -11.960 1.00 0.00 O ATOM 1429 CB LEU B 77 -0.234 4.923 -14.340 1.00 0.00 C ATOM 1430 CG LEU B 77 -0.082 6.004 -15.412 1.00 0.00 C ATOM 1431 CD1 LEU B 77 -1.443 6.409 -15.958 1.00 0.00 C ATOM 1432 CD2 LEU B 77 0.649 7.214 -14.850 1.00 0.00 C ATOM 0 H LEU B 77 1.261 2.650 -14.629 1.00 0.00 H new ATOM 0 HA LEU B 77 1.712 5.372 -13.547 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -0.692 4.044 -14.794 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -0.924 5.284 -13.577 1.00 0.00 H new ATOM 0 HG LEU B 77 0.509 5.595 -16.231 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -1.315 7.179 -16.719 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -1.931 5.540 -16.399 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.059 6.799 -15.148 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.748 7.972 -15.627 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.084 7.624 -14.013 1.00 0.00 H new ATOM 0 HD23 LEU B 77 1.639 6.914 -14.508 1.00 0.00 H new ATOM 1444 N ASP B 78 0.091 4.724 -11.453 1.00 0.00 N ATOM 1445 CA ASP B 78 -0.256 4.306 -10.101 1.00 0.00 C ATOM 1446 C ASP B 78 -1.705 4.661 -9.784 1.00 0.00 C ATOM 1447 O ASP B 78 -2.001 5.772 -9.348 1.00 0.00 O ATOM 1448 CB ASP B 78 0.682 4.969 -9.094 1.00 0.00 C ATOM 1449 CG ASP B 78 1.816 4.056 -8.670 1.00 0.00 C ATOM 1450 OD1 ASP B 78 1.618 2.822 -8.676 1.00 0.00 O ATOM 1451 OD2 ASP B 78 2.901 4.574 -8.332 1.00 0.00 O ATOM 0 H ASP B 78 -0.232 5.659 -11.700 1.00 0.00 H new ATOM 0 HA ASP B 78 -0.145 3.224 -10.032 1.00 0.00 H new ATOM 0 HB2 ASP B 78 1.095 5.878 -9.531 1.00 0.00 H new ATOM 0 HB3 ASP B 78 0.113 5.269 -8.214 1.00 0.00 H new ATOM 1456 N MET B 79 -2.606 3.712 -10.017 1.00 0.00 N ATOM 1457 CA MET B 79 -4.029 3.923 -9.771 1.00 0.00 C ATOM 1458 C MET B 79 -4.331 4.098 -8.284 1.00 0.00 C ATOM 1459 O MET B 79 -5.179 4.907 -7.908 1.00 0.00 O ATOM 1460 CB MET B 79 -4.838 2.750 -10.328 1.00 0.00 C ATOM 1461 CG MET B 79 -4.432 1.403 -9.753 1.00 0.00 C ATOM 1462 SD MET B 79 -5.468 0.053 -10.347 1.00 0.00 S ATOM 1463 CE MET B 79 -4.843 -0.146 -12.013 1.00 0.00 C ATOM 0 H MET B 79 -2.375 2.786 -10.377 1.00 0.00 H new ATOM 0 HA MET B 79 -4.316 4.843 -10.280 1.00 0.00 H new ATOM 0 HB2 MET B 79 -5.895 2.919 -10.124 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.723 2.723 -11.412 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.393 1.200 -10.013 1.00 0.00 H new ATOM 0 HG3 MET B 79 -4.486 1.446 -8.665 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.664 -0.049 -12.724 1.00 0.00 H new ATOM 0 HE2 MET B 79 -4.095 0.621 -12.215 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.389 -1.132 -12.116 1.00 0.00 H new ATOM 1473 N ILE B 80 -3.648 3.329 -7.441 1.00 0.00 N ATOM 1474 CA ILE B 80 -3.863 3.398 -5.999 1.00 0.00 C ATOM 1475 C ILE B 80 -3.267 4.665 -5.394 1.00 0.00 C ATOM 1476 O ILE B 80 -3.888 5.314 -4.549 1.00 0.00 O ATOM 1477 CB ILE B 80 -3.255 2.171 -5.287 1.00 0.00 C ATOM 1478 CG1 ILE B 80 -3.765 0.878 -5.927 1.00 0.00 C ATOM 1479 CG2 ILE B 80 -3.578 2.199 -3.798 1.00 0.00 C ATOM 1480 CD1 ILE B 80 -5.271 0.735 -5.881 1.00 0.00 C ATOM 0 H ILE B 80 -2.942 2.652 -7.731 1.00 0.00 H new ATOM 0 HA ILE B 80 -4.942 3.411 -5.848 1.00 0.00 H new ATOM 0 HB ILE B 80 -2.171 2.207 -5.400 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -3.436 0.842 -6.966 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -3.311 0.027 -5.419 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -3.141 1.326 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -3.166 3.105 -3.353 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -4.659 2.187 -3.660 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -5.562 -0.204 -6.352 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -5.605 0.739 -4.844 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -5.732 1.567 -6.414 1.00 0.00 H new ATOM 1492 N LEU B 81 -2.059 5.008 -5.823 1.00 0.00 N ATOM 1493 CA LEU B 81 -1.375 6.190 -5.314 1.00 0.00 C ATOM 1494 C LEU B 81 -1.985 7.471 -5.882 1.00 0.00 C ATOM 1495 O LEU B 81 -1.850 8.542 -5.291 1.00 0.00 O ATOM 1496 CB LEU B 81 0.125 6.128 -5.627 1.00 0.00 C ATOM 1497 CG LEU B 81 0.863 4.882 -5.117 1.00 0.00 C ATOM 1498 CD1 LEU B 81 0.567 4.650 -3.645 1.00 0.00 C ATOM 1499 CD2 LEU B 81 0.495 3.648 -5.929 1.00 0.00 C ATOM 0 H LEU B 81 -1.533 4.484 -6.522 1.00 0.00 H new ATOM 0 HA LEU B 81 -1.503 6.206 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU B 81 0.254 6.187 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU B 81 0.603 7.010 -5.201 1.00 0.00 H new ATOM 0 HG LEU B 81 1.932 5.059 -5.237 1.00 0.00 H new ATOM 0 HD11 LEU B 81 1.099 3.763 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU B 81 0.894 5.515 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -0.505 4.506 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU B 81 1.035 2.784 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -0.578 3.470 -5.854 1.00 0.00 H new ATOM 0 HD23 LEU B 81 0.764 3.806 -6.973 1.00 0.00 H new ATOM 1511 N LYS B 82 -2.660 7.356 -7.021 1.00 0.00 N ATOM 1512 CA LYS B 82 -3.293 8.513 -7.650 1.00 0.00 C ATOM 1513 C LYS B 82 -4.726 8.683 -7.157 1.00 0.00 C ATOM 1514 O LYS B 82 -5.257 9.794 -7.134 1.00 0.00 O ATOM 1515 CB LYS B 82 -3.281 8.371 -9.172 1.00 0.00 C ATOM 1516 CG LYS B 82 -1.947 8.732 -9.808 1.00 0.00 C ATOM 1517 CD LYS B 82 -2.137 9.413 -11.155 1.00 0.00 C ATOM 1518 CE LYS B 82 -1.240 10.633 -11.294 1.00 0.00 C ATOM 1519 NZ LYS B 82 -1.886 11.708 -12.094 1.00 0.00 N ATOM 0 H LYS B 82 -2.783 6.479 -7.526 1.00 0.00 H new ATOM 0 HA LYS B 82 -2.722 9.399 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS B 82 -3.533 7.343 -9.434 1.00 0.00 H new ATOM 0 HB3 LYS B 82 -4.059 9.007 -9.594 1.00 0.00 H new ATOM 0 HG2 LYS B 82 -1.391 9.391 -9.141 1.00 0.00 H new ATOM 0 HG3 LYS B 82 -1.348 7.830 -9.936 1.00 0.00 H new ATOM 0 HD2 LYS B 82 -1.918 8.706 -11.955 1.00 0.00 H new ATOM 0 HD3 LYS B 82 -3.179 9.711 -11.269 1.00 0.00 H new ATOM 0 HE2 LYS B 82 -0.992 11.016 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS B 82 -0.302 10.342 -11.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 -1.243 12.522 -12.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 -2.100 11.351 -13.047 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 -2.768 12.004 -11.629 1.00 0.00 H new ATOM 1533 N MET B 83 -5.349 7.575 -6.762 1.00 0.00 N ATOM 1534 CA MET B 83 -6.722 7.605 -6.270 1.00 0.00 C ATOM 1535 C MET B 83 -6.760 7.896 -4.774 1.00 0.00 C ATOM 1536 O MET B 83 -7.763 8.386 -4.253 1.00 0.00 O ATOM 1537 CB MET B 83 -7.421 6.275 -6.557 1.00 0.00 C ATOM 1538 CG MET B 83 -8.008 6.185 -7.958 1.00 0.00 C ATOM 1539 SD MET B 83 -9.809 6.074 -7.956 1.00 0.00 S ATOM 1540 CE MET B 83 -10.225 7.318 -6.735 1.00 0.00 C ATOM 0 H MET B 83 -4.925 6.647 -6.773 1.00 0.00 H new ATOM 0 HA MET B 83 -7.247 8.405 -6.792 1.00 0.00 H new ATOM 0 HB2 MET B 83 -6.708 5.462 -6.418 1.00 0.00 H new ATOM 0 HB3 MET B 83 -8.218 6.128 -5.828 1.00 0.00 H new ATOM 0 HG2 MET B 83 -7.703 7.060 -8.532 1.00 0.00 H new ATOM 0 HG3 MET B 83 -7.595 5.312 -8.464 1.00 0.00 H new ATOM 0 HE1 MET B 83 -11.212 7.726 -6.953 1.00 0.00 H new ATOM 0 HE2 MET B 83 -10.230 6.867 -5.743 1.00 0.00 H new ATOM 0 HE3 MET B 83 -9.486 8.119 -6.766 1.00 0.00 H new ATOM 1550 N ASP B 84 -5.665 7.590 -4.084 1.00 0.00 N ATOM 1551 CA ASP B 84 -5.584 7.820 -2.646 1.00 0.00 C ATOM 1552 C ASP B 84 -4.736 9.050 -2.337 1.00 0.00 C ATOM 1553 O ASP B 84 -3.508 9.004 -2.413 1.00 0.00 O ATOM 1554 CB ASP B 84 -5.003 6.593 -1.946 1.00 0.00 C ATOM 1555 CG ASP B 84 -5.916 5.387 -2.040 1.00 0.00 C ATOM 1556 OD1 ASP B 84 -6.809 5.249 -1.178 1.00 0.00 O ATOM 1557 OD2 ASP B 84 -5.738 4.579 -2.976 1.00 0.00 O ATOM 0 H ASP B 84 -4.825 7.184 -4.496 1.00 0.00 H new ATOM 0 HA ASP B 84 -6.593 7.997 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP B 84 -4.037 6.349 -2.388 1.00 0.00 H new ATOM 0 HB3 ASP B 84 -4.823 6.828 -0.897 1.00 0.00 H new ATOM 1562 N SER B 85 -5.399 10.146 -1.984 1.00 0.00 N ATOM 1563 CA SER B 85 -4.707 11.389 -1.660 1.00 0.00 C ATOM 1564 C SER B 85 -3.900 11.888 -2.853 1.00 0.00 C ATOM 1565 O SER B 85 -2.920 11.263 -3.259 1.00 0.00 O ATOM 1566 CB SER B 85 -3.786 11.185 -0.456 1.00 0.00 C ATOM 1567 OG SER B 85 -4.536 10.980 0.731 1.00 0.00 O ATOM 0 H SER B 85 -6.415 10.199 -1.915 1.00 0.00 H new ATOM 0 HA SER B 85 -5.457 12.140 -1.412 1.00 0.00 H new ATOM 0 HB2 SER B 85 -3.136 10.328 -0.632 1.00 0.00 H new ATOM 0 HB3 SER B 85 -3.140 12.055 -0.336 1.00 0.00 H new ATOM 0 HG SER B 85 -3.925 10.850 1.486 1.00 0.00 H new ATOM 1573 N LEU B 86 -4.318 13.019 -3.414 1.00 0.00 N ATOM 1574 CA LEU B 86 -3.633 13.601 -4.563 1.00 0.00 C ATOM 1575 C LEU B 86 -4.276 14.924 -4.969 1.00 0.00 C ATOM 1576 O LEU B 86 -3.586 15.876 -5.334 1.00 0.00 O ATOM 1577 CB LEU B 86 -3.655 12.623 -5.742 1.00 0.00 C ATOM 1578 CG LEU B 86 -2.309 12.420 -6.440 1.00 0.00 C ATOM 1579 CD1 LEU B 86 -1.713 13.756 -6.854 1.00 0.00 C ATOM 1580 CD2 LEU B 86 -1.347 11.665 -5.534 1.00 0.00 C ATOM 0 H LEU B 86 -5.127 13.550 -3.092 1.00 0.00 H new ATOM 0 HA LEU B 86 -2.599 13.796 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU B 86 -4.012 11.657 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU B 86 -4.378 12.979 -6.476 1.00 0.00 H new ATOM 0 HG LEU B 86 -2.475 11.826 -7.339 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -0.756 13.590 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -2.393 14.261 -7.540 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -1.562 14.376 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -0.395 11.530 -6.047 1.00 0.00 H new ATOM 0 HD22 LEU B 86 -1.188 12.234 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -1.768 10.690 -5.288 1.00 0.00 H new ATOM 1592 N ARG B 87 -5.603 14.972 -4.908 1.00 0.00 N ATOM 1593 CA ARG B 87 -6.343 16.176 -5.274 1.00 0.00 C ATOM 1594 C ARG B 87 -6.634 17.037 -4.048 1.00 0.00 C ATOM 1595 O ARG B 87 -6.818 18.248 -4.161 1.00 0.00 O ATOM 1596 CB ARG B 87 -7.653 15.803 -5.971 1.00 0.00 C ATOM 1597 CG ARG B 87 -7.524 14.622 -6.923 1.00 0.00 C ATOM 1598 CD ARG B 87 -8.146 14.918 -8.279 1.00 0.00 C ATOM 1599 NE ARG B 87 -7.143 14.974 -9.340 1.00 0.00 N ATOM 1600 CZ ARG B 87 -7.423 14.845 -10.635 1.00 0.00 C ATOM 1601 NH1 ARG B 87 -8.675 14.651 -11.034 1.00 0.00 N ATOM 1602 NH2 ARG B 87 -6.450 14.905 -11.533 1.00 0.00 N ATOM 0 H ARG B 87 -6.188 14.192 -4.609 1.00 0.00 H new ATOM 0 HA ARG B 87 -5.724 16.754 -5.960 1.00 0.00 H new ATOM 0 HB2 ARG B 87 -8.403 15.569 -5.215 1.00 0.00 H new ATOM 0 HB3 ARG B 87 -8.018 16.667 -6.526 1.00 0.00 H new ATOM 0 HG2 ARG B 87 -6.471 14.373 -7.053 1.00 0.00 H new ATOM 0 HG3 ARG B 87 -8.006 13.748 -6.485 1.00 0.00 H new ATOM 0 HD2 ARG B 87 -8.882 14.150 -8.516 1.00 0.00 H new ATOM 0 HD3 ARG B 87 -8.680 15.867 -8.234 1.00 0.00 H new ATOM 0 HE ARG B 87 -6.170 15.121 -9.072 1.00 0.00 H new ATOM 0 HH11 ARG B 87 -9.427 14.600 -10.347 1.00 0.00 H new ATOM 0 HH12 ARG B 87 -8.884 14.553 -12.027 1.00 0.00 H new ATOM 0 HH21 ARG B 87 -5.486 15.050 -11.232 1.00 0.00 H new ATOM 0 HH22 ARG B 87 -6.665 14.806 -12.525 1.00 0.00 H new ATOM 1616 N ASP B 88 -6.673 16.410 -2.876 1.00 0.00 N ATOM 1617 CA ASP B 88 -6.940 17.129 -1.632 1.00 0.00 C ATOM 1618 C ASP B 88 -5.767 18.030 -1.246 1.00 0.00 C ATOM 1619 O ASP B 88 -5.884 18.860 -0.345 1.00 0.00 O ATOM 1620 CB ASP B 88 -7.229 16.139 -0.502 1.00 0.00 C ATOM 1621 CG ASP B 88 -8.662 15.644 -0.521 1.00 0.00 C ATOM 1622 OD1 ASP B 88 -9.013 14.874 -1.439 1.00 0.00 O ATOM 1623 OD2 ASP B 88 -9.433 16.025 0.385 1.00 0.00 O ATOM 0 H ASP B 88 -6.524 15.408 -2.760 1.00 0.00 H new ATOM 0 HA ASP B 88 -7.814 17.760 -1.793 1.00 0.00 H new ATOM 0 HB2 ASP B 88 -6.552 15.289 -0.586 1.00 0.00 H new ATOM 0 HB3 ASP B 88 -7.025 16.616 0.457 1.00 0.00 H new ATOM 1628 N ILE B 89 -4.642 17.873 -1.944 1.00 0.00 N ATOM 1629 CA ILE B 89 -3.457 18.679 -1.682 1.00 0.00 C ATOM 1630 C ILE B 89 -3.489 19.918 -2.551 1.00 0.00 C ATOM 1631 O ILE B 89 -3.468 21.045 -2.053 1.00 0.00 O ATOM 1632 CB ILE B 89 -2.161 17.895 -1.962 1.00 0.00 C ATOM 1633 CG1 ILE B 89 -2.186 16.549 -1.237 1.00 0.00 C ATOM 1634 CG2 ILE B 89 -0.946 18.711 -1.545 1.00 0.00 C ATOM 1635 CD1 ILE B 89 -2.046 16.675 0.261 1.00 0.00 C ATOM 0 H ILE B 89 -4.530 17.193 -2.696 1.00 0.00 H new ATOM 0 HA ILE B 89 -3.465 18.954 -0.627 1.00 0.00 H new ATOM 0 HB ILE B 89 -2.093 17.705 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -3.121 16.038 -1.466 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -1.379 15.923 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE B 89 -0.039 18.143 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -0.924 19.644 -2.107 1.00 0.00 H new ATOM 0 HG23 ILE B 89 -1.004 18.931 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -2.072 15.684 0.713 1.00 0.00 H new ATOM 0 HD12 ILE B 89 -1.098 17.158 0.499 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -2.867 17.275 0.654 1.00 0.00 H new ATOM 1647 N GLU B 90 -3.579 19.698 -3.856 1.00 0.00 N ATOM 1648 CA GLU B 90 -3.663 20.795 -4.803 1.00 0.00 C ATOM 1649 C GLU B 90 -4.938 21.588 -4.542 1.00 0.00 C ATOM 1650 O GLU B 90 -5.054 22.745 -4.934 1.00 0.00 O ATOM 1651 CB GLU B 90 -3.652 20.262 -6.238 1.00 0.00 C ATOM 1652 CG GLU B 90 -3.846 21.342 -7.293 1.00 0.00 C ATOM 1653 CD GLU B 90 -2.859 21.221 -8.438 1.00 0.00 C ATOM 1654 OE1 GLU B 90 -1.690 21.622 -8.258 1.00 0.00 O ATOM 1655 OE2 GLU B 90 -3.257 20.729 -9.515 1.00 0.00 O ATOM 0 H GLU B 90 -3.595 18.770 -4.280 1.00 0.00 H new ATOM 0 HA GLU B 90 -2.800 21.448 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -2.705 19.754 -6.420 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -4.439 19.516 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -4.861 21.284 -7.685 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -3.740 22.322 -6.828 1.00 0.00 H new ATOM 1662 N ALA B 91 -5.889 20.946 -3.860 1.00 0.00 N ATOM 1663 CA ALA B 91 -7.157 21.575 -3.523 1.00 0.00 C ATOM 1664 C ALA B 91 -7.034 22.335 -2.212 1.00 0.00 C ATOM 1665 O ALA B 91 -7.285 23.539 -2.152 1.00 0.00 O ATOM 1666 CB ALA B 91 -8.258 20.529 -3.432 1.00 0.00 C ATOM 0 H ALA B 91 -5.799 19.985 -3.531 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.418 22.282 -4.311 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.201 21.014 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -8.357 20.021 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.006 19.802 -2.660 1.00 0.00 H new ATOM 1672 N LEU B 92 -6.619 21.632 -1.159 1.00 0.00 N ATOM 1673 CA LEU B 92 -6.441 22.270 0.142 1.00 0.00 C ATOM 1674 C LEU B 92 -5.565 23.511 -0.012 1.00 0.00 C ATOM 1675 O LEU B 92 -5.661 24.456 0.770 1.00 0.00 O ATOM 1676 CB LEU B 92 -5.804 21.304 1.144 1.00 0.00 C ATOM 1677 CG LEU B 92 -6.789 20.534 2.029 1.00 0.00 C ATOM 1678 CD1 LEU B 92 -7.375 21.448 3.092 1.00 0.00 C ATOM 1679 CD2 LEU B 92 -7.899 19.908 1.190 1.00 0.00 C ATOM 0 H LEU B 92 -6.403 20.635 -1.180 1.00 0.00 H new ATOM 0 HA LEU B 92 -7.421 22.558 0.523 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -5.197 20.585 0.594 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -5.128 21.867 1.787 1.00 0.00 H new ATOM 0 HG LEU B 92 -6.245 19.730 2.525 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -8.073 20.885 3.712 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -6.573 21.842 3.715 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -7.901 22.274 2.612 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -8.586 19.367 1.841 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -8.442 20.692 0.661 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -7.464 19.218 0.467 1.00 0.00 H new ATOM 1691 N LEU B 93 -4.722 23.499 -1.042 1.00 0.00 N ATOM 1692 CA LEU B 93 -3.838 24.618 -1.317 1.00 0.00 C ATOM 1693 C LEU B 93 -4.507 25.614 -2.258 1.00 0.00 C ATOM 1694 O LEU B 93 -4.361 26.823 -2.092 1.00 0.00 O ATOM 1695 CB LEU B 93 -2.519 24.127 -1.917 1.00 0.00 C ATOM 1696 CG LEU B 93 -1.261 24.607 -1.191 1.00 0.00 C ATOM 1697 CD1 LEU B 93 -0.063 23.758 -1.581 1.00 0.00 C ATOM 1698 CD2 LEU B 93 -1.002 26.075 -1.493 1.00 0.00 C ATOM 0 H LEU B 93 -4.636 22.723 -1.698 1.00 0.00 H new ATOM 0 HA LEU B 93 -3.625 25.122 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU B 93 -2.523 23.037 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU B 93 -2.467 24.451 -2.956 1.00 0.00 H new ATOM 0 HG LEU B 93 -1.419 24.500 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU B 93 0.822 24.114 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU B 93 -0.251 22.718 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU B 93 0.100 23.831 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU B 93 -0.104 26.401 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU B 93 -0.864 26.207 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU B 93 -1.852 26.670 -1.160 1.00 0.00 H new ATOM 1710 N THR B 94 -5.253 25.114 -3.244 1.00 0.00 N ATOM 1711 CA THR B 94 -5.932 26.007 -4.182 1.00 0.00 C ATOM 1712 C THR B 94 -7.035 26.805 -3.482 1.00 0.00 C ATOM 1713 O THR B 94 -7.580 27.753 -4.052 1.00 0.00 O ATOM 1714 CB THR B 94 -6.507 25.238 -5.374 1.00 0.00 C ATOM 1715 OG1 THR B 94 -6.690 26.101 -6.482 1.00 0.00 O ATOM 1716 CG2 THR B 94 -7.835 24.579 -5.088 1.00 0.00 C ATOM 0 H THR B 94 -5.400 24.119 -3.412 1.00 0.00 H new ATOM 0 HA THR B 94 -5.186 26.706 -4.560 1.00 0.00 H new ATOM 0 HB THR B 94 -5.776 24.458 -5.589 1.00 0.00 H new ATOM 0 HG1 THR B 94 -7.087 26.944 -6.178 1.00 0.00 H new ATOM 0 HG21 THR B 94 -8.180 24.053 -5.979 1.00 0.00 H new ATOM 0 HG22 THR B 94 -7.720 23.869 -4.269 1.00 0.00 H new ATOM 0 HG23 THR B 94 -8.566 25.338 -4.809 1.00 0.00 H new ATOM 1724 N GLY B 95 -7.364 26.419 -2.250 1.00 0.00 N ATOM 1725 CA GLY B 95 -8.401 27.114 -1.512 1.00 0.00 C ATOM 1726 C GLY B 95 -7.909 27.692 -0.196 1.00 0.00 C ATOM 1727 O GLY B 95 -8.443 28.691 0.284 1.00 0.00 O ATOM 0 H GLY B 95 -6.931 25.640 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY B 95 -8.801 27.919 -2.129 1.00 0.00 H new ATOM 0 HA3 GLY B 95 -9.223 26.425 -1.315 1.00 0.00 H new ATOM 1731 N LEU B 96 -6.895 27.064 0.395 1.00 0.00 N ATOM 1732 CA LEU B 96 -6.354 27.534 1.669 1.00 0.00 C ATOM 1733 C LEU B 96 -5.039 28.285 1.491 1.00 0.00 C ATOM 1734 O LEU B 96 -4.421 28.709 2.468 1.00 0.00 O ATOM 1735 CB LEU B 96 -6.151 26.361 2.625 1.00 0.00 C ATOM 1736 CG LEU B 96 -6.384 26.681 4.104 1.00 0.00 C ATOM 1737 CD1 LEU B 96 -7.165 25.563 4.777 1.00 0.00 C ATOM 1738 CD2 LEU B 96 -5.058 26.908 4.815 1.00 0.00 C ATOM 0 H LEU B 96 -6.435 26.236 0.017 1.00 0.00 H new ATOM 0 HA LEU B 96 -7.081 28.228 2.090 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.823 25.554 2.333 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.134 25.987 2.506 1.00 0.00 H new ATOM 0 HG LEU B 96 -6.972 27.597 4.169 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -7.320 25.809 5.827 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -8.131 25.446 4.285 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -6.604 24.631 4.702 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -5.242 27.134 5.865 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -4.446 26.009 4.739 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.534 27.743 4.350 1.00 0.00 H new ATOM 1750 N PHE B 97 -4.617 28.441 0.244 1.00 0.00 N ATOM 1751 CA PHE B 97 -3.366 29.140 -0.072 1.00 0.00 C ATOM 1752 C PHE B 97 -3.185 30.385 0.793 1.00 0.00 C ATOM 1753 O PHE B 97 -4.132 31.140 1.017 1.00 0.00 O ATOM 1754 CB PHE B 97 -3.335 29.538 -1.550 1.00 0.00 C ATOM 1755 CG PHE B 97 -4.547 30.310 -1.991 1.00 0.00 C ATOM 1756 CD1 PHE B 97 -5.709 29.651 -2.354 1.00 0.00 C ATOM 1757 CD2 PHE B 97 -4.520 31.694 -2.041 1.00 0.00 C ATOM 1758 CE1 PHE B 97 -6.825 30.359 -2.760 1.00 0.00 C ATOM 1759 CE2 PHE B 97 -5.632 32.407 -2.446 1.00 0.00 C ATOM 1760 CZ PHE B 97 -6.786 31.739 -2.806 1.00 0.00 C ATOM 0 H PHE B 97 -5.120 28.094 -0.572 1.00 0.00 H new ATOM 0 HA PHE B 97 -2.547 28.452 0.139 1.00 0.00 H new ATOM 0 HB2 PHE B 97 -2.444 30.138 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE B 97 -3.247 28.638 -2.158 1.00 0.00 H new ATOM 0 HD1 PHE B 97 -5.744 28.572 -2.320 1.00 0.00 H new ATOM 0 HD2 PHE B 97 -3.620 32.221 -1.760 1.00 0.00 H new ATOM 0 HE1 PHE B 97 -7.726 29.834 -3.041 1.00 0.00 H new ATOM 0 HE2 PHE B 97 -5.599 33.486 -2.481 1.00 0.00 H new ATOM 0 HZ PHE B 97 -7.656 32.295 -3.123 1.00 0.00 H new ATOM 1770 N VAL B 98 -1.964 30.592 1.273 1.00 0.00 N ATOM 1771 CA VAL B 98 -1.656 31.744 2.111 1.00 0.00 C ATOM 1772 C VAL B 98 -1.362 32.978 1.262 1.00 0.00 C ATOM 1773 O VAL B 98 -0.793 32.875 0.176 1.00 0.00 O ATOM 1774 CB VAL B 98 -0.452 31.463 3.032 1.00 0.00 C ATOM 1775 CG1 VAL B 98 0.796 31.175 2.210 1.00 0.00 C ATOM 1776 CG2 VAL B 98 -0.219 32.628 3.981 1.00 0.00 C ATOM 0 H VAL B 98 -1.171 29.976 1.096 1.00 0.00 H new ATOM 0 HA VAL B 98 -2.535 31.933 2.727 1.00 0.00 H new ATOM 0 HB VAL B 98 -0.676 30.579 3.630 1.00 0.00 H new ATOM 0 HG11 VAL B 98 1.635 30.979 2.878 1.00 0.00 H new ATOM 0 HG12 VAL B 98 0.623 30.303 1.579 1.00 0.00 H new ATOM 0 HG13 VAL B 98 1.025 32.036 1.583 1.00 0.00 H new ATOM 0 HG21 VAL B 98 0.635 32.410 4.622 1.00 0.00 H new ATOM 0 HG22 VAL B 98 -0.019 33.532 3.405 1.00 0.00 H new ATOM 0 HG23 VAL B 98 -1.106 32.779 4.597 1.00 0.00 H new