USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 110 GLN : amide:sc= 0.148 K(o=-0.22,f=-5.5!) USER MOD Set 1.2: B 114 ASN : amide:sc= -0.372 K(o=-0.22,f=-3.8!) USER MOD Set 2.1: A 33 TYR OH : rot 180:sc= 0.164 USER MOD Set 2.2: A 70 HIS : no HE2:sc= -2.62 K(o=-2.5,f=-14!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.0025) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0764 X(o=-0.076,f=-0.17) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= -0.223 (180deg=-0.376) USER MOD Single : A 25 TYR OH : rot -39:sc= -1.16 USER MOD Single : A 27 TYR OH : rot -89:sc= -0.937 USER MOD Single : A 32 MET CE :methyl -177:sc= 0 (180deg=-0.00365) USER MOD Single : A 34 HIS : no HD1:sc= -0.856 K(o=-0.86,f=-2.3!) USER MOD Single : A 35 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.3!) USER MOD Single : A 36 THR OG1 : rot -121:sc= 0.836 USER MOD Single : A 37 MET CE :methyl -147:sc= -2.24! (180deg=-3.26!) USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00305) USER MOD Single : A 51 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.24) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0.609 K(o=0.61,f=-0.015) USER MOD Single : A 74 TYR OH : rot 44:sc= -0.0492 USER MOD Single : A 76 GLN : amide:sc= -0.0704 K(o=-0.07,f=-2.7!) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 112 TYR OH : rot 98:sc= 0.0332 USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -16.704 3.548 1.316 1.00 0.00 N ATOM 33 CA ARG A 3 -17.032 2.162 1.628 1.00 0.00 C ATOM 34 C ARG A 3 -16.705 1.246 0.452 1.00 0.00 C ATOM 35 O ARG A 3 -16.372 0.076 0.638 1.00 0.00 O ATOM 36 CB ARG A 3 -18.514 2.037 1.989 1.00 0.00 C ATOM 37 CG ARG A 3 -19.451 2.349 0.833 1.00 0.00 C ATOM 38 CD ARG A 3 -20.515 3.361 1.229 1.00 0.00 C ATOM 39 NE ARG A 3 -20.910 4.209 0.107 1.00 0.00 N ATOM 40 CZ ARG A 3 -21.617 5.330 0.237 1.00 0.00 C ATOM 41 NH1 ARG A 3 -22.008 5.741 1.436 1.00 0.00 N ATOM 42 NH2 ARG A 3 -21.932 6.041 -0.837 1.00 0.00 N ATOM 0 HA ARG A 3 -16.428 1.855 2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.709 1.024 2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.736 2.710 2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -18.875 2.736 -0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -19.930 1.430 0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -21.390 2.836 1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.138 3.985 2.039 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.628 3.926 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -21.767 5.198 2.265 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -22.549 6.601 1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -21.633 5.729 -1.761 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -22.473 6.900 -0.739 1.00 0.00 H new ATOM 56 N LYS A 4 -16.802 1.788 -0.757 1.00 0.00 N ATOM 57 CA LYS A 4 -16.516 1.021 -1.963 1.00 0.00 C ATOM 58 C LYS A 4 -15.024 0.750 -2.099 1.00 0.00 C ATOM 59 O LYS A 4 -14.621 -0.282 -2.629 1.00 0.00 O ATOM 60 CB LYS A 4 -17.034 1.759 -3.201 1.00 0.00 C ATOM 61 CG LYS A 4 -17.838 0.878 -4.142 1.00 0.00 C ATOM 62 CD LYS A 4 -19.014 1.630 -4.745 1.00 0.00 C ATOM 63 CE LYS A 4 -19.351 1.117 -6.135 1.00 0.00 C ATOM 64 NZ LYS A 4 -20.584 1.750 -6.679 1.00 0.00 N ATOM 0 H LYS A 4 -17.076 2.755 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.030 0.063 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.655 2.596 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.187 2.179 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.192 0.512 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.203 0.005 -3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.884 1.526 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.780 2.693 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.516 1.314 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.484 0.036 -6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.778 1.372 -7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.387 1.541 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.449 2.780 -6.737 1.00 0.00 H new ATOM 78 N VAL A 5 -14.205 1.678 -1.615 1.00 0.00 N ATOM 79 CA VAL A 5 -12.758 1.520 -1.684 1.00 0.00 C ATOM 80 C VAL A 5 -12.346 0.172 -1.103 1.00 0.00 C ATOM 81 O VAL A 5 -11.392 -0.454 -1.565 1.00 0.00 O ATOM 82 CB VAL A 5 -12.027 2.644 -0.924 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.525 2.545 -1.139 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.547 4.006 -1.358 1.00 0.00 C ATOM 0 H VAL A 5 -14.517 2.543 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.475 1.573 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.226 2.527 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.026 3.347 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.168 1.582 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.303 2.635 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.020 4.788 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.380 4.135 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.614 4.072 -1.147 1.00 0.00 H new ATOM 94 N ALA A 6 -13.086 -0.272 -0.094 1.00 0.00 N ATOM 95 CA ALA A 6 -12.819 -1.551 0.545 1.00 0.00 C ATOM 96 C ALA A 6 -13.234 -2.704 -0.362 1.00 0.00 C ATOM 97 O ALA A 6 -12.536 -3.713 -0.465 1.00 0.00 O ATOM 98 CB ALA A 6 -13.544 -1.637 1.881 1.00 0.00 C ATOM 0 H ALA A 6 -13.877 0.238 0.299 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.747 -1.628 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.335 -2.600 2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.200 -0.835 2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.617 -1.538 1.720 1.00 0.00 H new ATOM 104 N ARG A 7 -14.382 -2.546 -1.017 1.00 0.00 N ATOM 105 CA ARG A 7 -14.900 -3.574 -1.916 1.00 0.00 C ATOM 106 C ARG A 7 -14.025 -3.718 -3.155 1.00 0.00 C ATOM 107 O ARG A 7 -13.761 -4.830 -3.612 1.00 0.00 O ATOM 108 CB ARG A 7 -16.339 -3.247 -2.323 1.00 0.00 C ATOM 109 CG ARG A 7 -17.349 -4.290 -1.875 1.00 0.00 C ATOM 110 CD ARG A 7 -17.460 -4.344 -0.358 1.00 0.00 C ATOM 111 NE ARG A 7 -18.845 -4.226 0.093 1.00 0.00 N ATOM 112 CZ ARG A 7 -19.195 -3.899 1.334 1.00 0.00 C ATOM 113 NH1 ARG A 7 -18.267 -3.654 2.251 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.477 -3.812 1.661 1.00 0.00 N ATOM 0 H ARG A 7 -14.971 -1.716 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.887 -4.524 -1.381 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.616 -2.280 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.388 -3.148 -3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -18.324 -4.061 -2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.055 -5.269 -2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.040 -5.283 0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.867 -3.540 0.078 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.587 -4.405 -0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -17.279 -3.716 2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -18.542 -3.404 3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -21.196 -3.996 0.961 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.745 -3.561 2.613 1.00 0.00 H new ATOM 128 N GLU A 8 -13.582 -2.592 -3.697 1.00 0.00 N ATOM 129 CA GLU A 8 -12.741 -2.602 -4.888 1.00 0.00 C ATOM 130 C GLU A 8 -11.340 -3.100 -4.555 1.00 0.00 C ATOM 131 O GLU A 8 -10.759 -3.888 -5.300 1.00 0.00 O ATOM 132 CB GLU A 8 -12.673 -1.205 -5.509 1.00 0.00 C ATOM 133 CG GLU A 8 -12.165 -0.136 -4.556 1.00 0.00 C ATOM 134 CD GLU A 8 -10.683 0.136 -4.721 1.00 0.00 C ATOM 135 OE1 GLU A 8 -10.301 0.731 -5.751 1.00 0.00 O ATOM 136 OE2 GLU A 8 -9.905 -0.244 -3.821 1.00 0.00 O ATOM 0 H GLU A 8 -13.790 -1.662 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.186 -3.284 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.024 -1.237 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.666 -0.924 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.721 0.787 -4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.362 -0.446 -3.530 1.00 0.00 H new ATOM 143 N PHE A 9 -10.803 -2.646 -3.429 1.00 0.00 N ATOM 144 CA PHE A 9 -9.475 -3.061 -3.000 1.00 0.00 C ATOM 145 C PHE A 9 -9.463 -4.555 -2.698 1.00 0.00 C ATOM 146 O PHE A 9 -8.544 -5.275 -3.092 1.00 0.00 O ATOM 147 CB PHE A 9 -9.041 -2.272 -1.763 1.00 0.00 C ATOM 148 CG PHE A 9 -7.658 -2.616 -1.286 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.560 -2.427 -2.108 1.00 0.00 C ATOM 150 CD2 PHE A 9 -7.459 -3.130 -0.015 1.00 0.00 C ATOM 151 CE1 PHE A 9 -5.287 -2.743 -1.673 1.00 0.00 C ATOM 152 CE2 PHE A 9 -6.188 -3.448 0.427 1.00 0.00 C ATOM 153 CZ PHE A 9 -5.101 -3.255 -0.403 1.00 0.00 C ATOM 0 H PHE A 9 -11.266 -1.992 -2.798 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.771 -2.858 -3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.084 -1.206 -1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.751 -2.457 -0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.700 -2.028 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.306 -3.284 0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.439 -2.590 -2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.045 -3.847 1.420 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.108 -3.504 -0.060 1.00 0.00 H new ATOM 163 N ARG A 10 -10.497 -5.013 -2.000 1.00 0.00 N ATOM 164 CA ARG A 10 -10.618 -6.421 -1.648 1.00 0.00 C ATOM 165 C ARG A 10 -10.969 -7.257 -2.873 1.00 0.00 C ATOM 166 O ARG A 10 -10.375 -8.308 -3.110 1.00 0.00 O ATOM 167 CB ARG A 10 -11.683 -6.607 -0.564 1.00 0.00 C ATOM 168 CG ARG A 10 -11.680 -7.994 0.060 1.00 0.00 C ATOM 169 CD ARG A 10 -12.626 -8.935 -0.667 1.00 0.00 C ATOM 170 NE ARG A 10 -14.013 -8.482 -0.592 1.00 0.00 N ATOM 171 CZ ARG A 10 -14.994 -8.975 -1.344 1.00 0.00 C ATOM 172 NH1 ARG A 10 -14.746 -9.934 -2.226 1.00 0.00 N ATOM 173 NH2 ARG A 10 -16.228 -8.507 -1.213 1.00 0.00 N ATOM 0 H ARG A 10 -11.263 -4.428 -1.667 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.656 -6.760 -1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.526 -5.865 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.665 -6.413 -0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.670 -8.402 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.970 -7.923 1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.326 -9.014 -1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.547 -9.933 -0.236 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.243 -7.745 0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.799 -10.298 -2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.502 -10.308 -2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.425 -7.770 -0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.980 -8.884 -1.789 1.00 0.00 H new ATOM 187 N HIS A 11 -11.939 -6.782 -3.651 1.00 0.00 N ATOM 188 CA HIS A 11 -12.360 -7.491 -4.854 1.00 0.00 C ATOM 189 C HIS A 11 -11.224 -7.553 -5.869 1.00 0.00 C ATOM 190 O HIS A 11 -11.022 -8.573 -6.527 1.00 0.00 O ATOM 191 CB HIS A 11 -13.582 -6.814 -5.478 1.00 0.00 C ATOM 192 CG HIS A 11 -14.184 -7.591 -6.604 1.00 0.00 C ATOM 193 ND1 HIS A 11 -15.215 -7.111 -7.384 1.00 0.00 N ATOM 194 CD2 HIS A 11 -13.896 -8.825 -7.083 1.00 0.00 C ATOM 195 CE1 HIS A 11 -15.536 -8.016 -8.293 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.749 -9.064 -8.132 1.00 0.00 N ATOM 0 H HIS A 11 -12.445 -5.915 -3.471 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.629 -8.508 -4.569 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.337 -6.663 -4.707 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.295 -5.827 -5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.137 -9.496 -6.709 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.310 -7.915 -9.040 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.771 -9.914 -8.696 1.00 0.00 H new ATOM 205 N LYS A 12 -10.479 -6.458 -5.984 1.00 0.00 N ATOM 206 CA LYS A 12 -9.359 -6.393 -6.914 1.00 0.00 C ATOM 207 C LYS A 12 -8.322 -7.455 -6.570 1.00 0.00 C ATOM 208 O LYS A 12 -7.952 -8.274 -7.412 1.00 0.00 O ATOM 209 CB LYS A 12 -8.715 -5.005 -6.879 1.00 0.00 C ATOM 210 CG LYS A 12 -9.403 -3.992 -7.779 1.00 0.00 C ATOM 211 CD LYS A 12 -8.933 -4.116 -9.220 1.00 0.00 C ATOM 212 CE LYS A 12 -7.811 -3.136 -9.528 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.531 -3.835 -9.824 1.00 0.00 N ATOM 0 H LYS A 12 -10.631 -5.605 -5.445 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.736 -6.580 -7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.726 -4.634 -5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.670 -5.091 -7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.482 -4.137 -7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.202 -2.985 -7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.589 -5.134 -9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.771 -3.935 -9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.093 -2.517 -10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.671 -2.466 -8.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.791 -3.133 -10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.249 -4.406 -9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.657 -4.456 -10.649 1.00 0.00 H new ATOM 227 N VAL A 13 -7.864 -7.440 -5.321 1.00 0.00 N ATOM 228 CA VAL A 13 -6.873 -8.406 -4.863 1.00 0.00 C ATOM 229 C VAL A 13 -7.336 -9.828 -5.151 1.00 0.00 C ATOM 230 O VAL A 13 -6.542 -10.686 -5.538 1.00 0.00 O ATOM 231 CB VAL A 13 -6.602 -8.256 -3.353 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.495 -9.200 -2.908 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.251 -6.814 -3.013 1.00 0.00 C ATOM 0 H VAL A 13 -8.163 -6.771 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.950 -8.207 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.511 -8.522 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.320 -9.077 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.791 -10.229 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.580 -8.971 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.063 -6.728 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.358 -6.517 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.080 -6.163 -3.289 1.00 0.00 H new ATOM 243 N ASP A 14 -8.629 -10.066 -4.973 1.00 0.00 N ATOM 244 CA ASP A 14 -9.203 -11.380 -5.228 1.00 0.00 C ATOM 245 C ASP A 14 -9.290 -11.654 -6.726 1.00 0.00 C ATOM 246 O ASP A 14 -9.277 -12.807 -7.155 1.00 0.00 O ATOM 247 CB ASP A 14 -10.593 -11.484 -4.596 1.00 0.00 C ATOM 248 CG ASP A 14 -11.172 -12.882 -4.699 1.00 0.00 C ATOM 249 OD1 ASP A 14 -10.707 -13.773 -3.958 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.090 -13.084 -5.521 1.00 0.00 O ATOM 0 H ASP A 14 -9.299 -9.367 -4.653 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.550 -12.128 -4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.535 -11.194 -3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.265 -10.778 -5.085 1.00 0.00 H new ATOM 255 N PHE A 15 -9.377 -10.589 -7.520 1.00 0.00 N ATOM 256 CA PHE A 15 -9.463 -10.720 -8.968 1.00 0.00 C ATOM 257 C PHE A 15 -8.143 -11.216 -9.542 1.00 0.00 C ATOM 258 O PHE A 15 -8.115 -11.928 -10.545 1.00 0.00 O ATOM 259 CB PHE A 15 -9.837 -9.378 -9.602 1.00 0.00 C ATOM 260 CG PHE A 15 -10.744 -9.510 -10.791 1.00 0.00 C ATOM 261 CD1 PHE A 15 -10.259 -9.973 -12.003 1.00 0.00 C ATOM 262 CD2 PHE A 15 -12.085 -9.167 -10.697 1.00 0.00 C ATOM 263 CE1 PHE A 15 -11.093 -10.092 -13.100 1.00 0.00 C ATOM 264 CE2 PHE A 15 -12.924 -9.286 -11.789 1.00 0.00 C ATOM 265 CZ PHE A 15 -12.426 -9.748 -12.993 1.00 0.00 C ATOM 0 H PHE A 15 -9.390 -9.627 -7.182 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.239 -11.450 -9.199 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.323 -8.754 -8.852 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.926 -8.862 -9.905 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.217 -10.244 -12.093 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -12.478 -8.803 -9.759 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.702 -10.454 -14.039 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -13.967 -9.019 -11.702 1.00 0.00 H new ATOM 0 HZ PHE A 15 -13.079 -9.840 -13.849 1.00 0.00 H new ATOM 275 N LEU A 16 -7.052 -10.825 -8.897 1.00 0.00 N ATOM 276 CA LEU A 16 -5.719 -11.215 -9.338 1.00 0.00 C ATOM 277 C LEU A 16 -5.303 -12.544 -8.716 1.00 0.00 C ATOM 278 O LEU A 16 -4.876 -13.462 -9.416 1.00 0.00 O ATOM 279 CB LEU A 16 -4.701 -10.127 -8.980 1.00 0.00 C ATOM 280 CG LEU A 16 -5.250 -8.697 -8.974 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.402 -7.804 -8.083 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.305 -8.144 -10.391 1.00 0.00 C ATOM 0 H LEU A 16 -7.064 -10.236 -8.064 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.745 -11.337 -10.421 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.291 -10.346 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.874 -10.179 -9.688 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.263 -8.717 -8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.807 -6.792 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.413 -8.191 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.377 -7.788 -8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.697 -7.127 -10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.302 -8.137 -10.818 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.955 -8.771 -11.001 1.00 0.00 H new ATOM 294 N ILE A 17 -5.432 -12.637 -7.401 1.00 0.00 N ATOM 295 CA ILE A 17 -5.073 -13.848 -6.678 1.00 0.00 C ATOM 296 C ILE A 17 -6.225 -14.831 -6.642 1.00 0.00 C ATOM 297 O ILE A 17 -6.104 -15.965 -7.106 1.00 0.00 O ATOM 298 CB ILE A 17 -4.647 -13.532 -5.231 1.00 0.00 C ATOM 299 CG1 ILE A 17 -3.471 -12.566 -5.225 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.274 -14.807 -4.489 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.878 -11.113 -5.110 1.00 0.00 C ATOM 0 H ILE A 17 -5.785 -11.884 -6.810 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.234 -14.294 -7.213 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.491 -13.067 -4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.811 -12.816 -4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.896 -12.702 -6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.976 -14.561 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.133 -15.478 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.445 -15.297 -5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.987 -10.484 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.513 -10.845 -5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.427 -10.961 -4.181 1.00 0.00 H new ATOM 313 N GLU A 18 -7.329 -14.400 -6.058 1.00 0.00 N ATOM 314 CA GLU A 18 -8.496 -15.241 -5.920 1.00 0.00 C ATOM 315 C GLU A 18 -8.211 -16.404 -4.983 1.00 0.00 C ATOM 316 O GLU A 18 -9.052 -17.278 -4.769 1.00 0.00 O ATOM 317 CB GLU A 18 -8.968 -15.744 -7.278 1.00 0.00 C ATOM 318 CG GLU A 18 -10.172 -16.641 -7.167 1.00 0.00 C ATOM 319 CD GLU A 18 -10.893 -16.830 -8.488 1.00 0.00 C ATOM 320 OE1 GLU A 18 -11.654 -15.922 -8.883 1.00 0.00 O ATOM 321 OE2 GLU A 18 -10.697 -17.886 -9.126 1.00 0.00 O ATOM 0 H GLU A 18 -7.438 -13.463 -5.670 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.297 -14.641 -5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.209 -14.893 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.157 -16.286 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.860 -17.614 -6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.865 -16.221 -6.438 1.00 0.00 H new ATOM 328 N ASN A 19 -7.018 -16.393 -4.424 1.00 0.00 N ATOM 329 CA ASN A 19 -6.591 -17.431 -3.496 1.00 0.00 C ATOM 330 C ASN A 19 -6.841 -17.005 -2.053 1.00 0.00 C ATOM 331 O ASN A 19 -7.141 -15.841 -1.782 1.00 0.00 O ATOM 332 CB ASN A 19 -5.108 -17.752 -3.697 1.00 0.00 C ATOM 333 CG ASN A 19 -4.788 -19.206 -3.408 1.00 0.00 C ATOM 334 OD1 ASN A 19 -5.434 -20.113 -3.934 1.00 0.00 O ATOM 335 ND2 ASN A 19 -3.787 -19.435 -2.566 1.00 0.00 N ATOM 0 H ASN A 19 -6.318 -15.671 -4.596 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.177 -18.327 -3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.824 -17.517 -4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.509 -17.115 -3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.526 -20.393 -2.332 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.279 -18.653 -2.153 1.00 0.00 H new ATOM 342 N ASP A 20 -6.721 -17.954 -1.130 1.00 0.00 N ATOM 343 CA ASP A 20 -6.939 -17.673 0.284 1.00 0.00 C ATOM 344 C ASP A 20 -5.619 -17.444 1.011 1.00 0.00 C ATOM 345 O ASP A 20 -5.394 -16.381 1.589 1.00 0.00 O ATOM 346 CB ASP A 20 -7.706 -18.824 0.941 1.00 0.00 C ATOM 347 CG ASP A 20 -9.183 -18.519 1.099 1.00 0.00 C ATOM 348 OD1 ASP A 20 -9.851 -18.268 0.074 1.00 0.00 O ATOM 349 OD2 ASP A 20 -9.672 -18.530 2.248 1.00 0.00 O ATOM 0 H ASP A 20 -6.475 -18.922 -1.335 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.530 -16.760 0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.586 -19.726 0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.274 -19.033 1.920 1.00 0.00 H new ATOM 354 N ALA A 21 -4.748 -18.449 0.981 1.00 0.00 N ATOM 355 CA ALA A 21 -3.451 -18.357 1.642 1.00 0.00 C ATOM 356 C ALA A 21 -2.695 -17.109 1.201 1.00 0.00 C ATOM 357 O ALA A 21 -2.045 -16.446 2.009 1.00 0.00 O ATOM 358 CB ALA A 21 -2.627 -19.604 1.365 1.00 0.00 C ATOM 0 H ALA A 21 -4.917 -19.336 0.506 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.624 -18.282 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.662 -19.521 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.156 -20.480 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.472 -19.706 0.291 1.00 0.00 H new ATOM 364 N GLU A 22 -2.787 -16.795 -0.084 1.00 0.00 N ATOM 365 CA GLU A 22 -2.116 -15.624 -0.631 1.00 0.00 C ATOM 366 C GLU A 22 -2.762 -14.345 -0.109 1.00 0.00 C ATOM 367 O GLU A 22 -2.074 -13.426 0.334 1.00 0.00 O ATOM 368 CB GLU A 22 -2.157 -15.648 -2.158 1.00 0.00 C ATOM 369 CG GLU A 22 -1.330 -16.767 -2.771 1.00 0.00 C ATOM 370 CD GLU A 22 0.046 -16.303 -3.208 1.00 0.00 C ATOM 371 OE1 GLU A 22 0.838 -15.891 -2.334 1.00 0.00 O ATOM 372 OE2 GLU A 22 0.331 -16.353 -4.422 1.00 0.00 O ATOM 0 H GLU A 22 -3.319 -17.334 -0.767 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.075 -15.646 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.192 -15.752 -2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.798 -14.692 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.224 -17.574 -2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.861 -17.177 -3.630 1.00 0.00 H new ATOM 379 N LYS A 23 -4.091 -14.297 -0.154 1.00 0.00 N ATOM 380 CA LYS A 23 -4.825 -13.135 0.327 1.00 0.00 C ATOM 381 C LYS A 23 -4.632 -12.977 1.825 1.00 0.00 C ATOM 382 O LYS A 23 -4.589 -11.862 2.338 1.00 0.00 O ATOM 383 CB LYS A 23 -6.312 -13.262 -0.005 1.00 0.00 C ATOM 384 CG LYS A 23 -6.971 -11.938 -0.356 1.00 0.00 C ATOM 385 CD LYS A 23 -8.477 -11.995 -0.155 1.00 0.00 C ATOM 386 CE LYS A 23 -9.181 -12.557 -1.379 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.653 -12.339 -1.321 1.00 0.00 N ATOM 0 H LYS A 23 -4.678 -15.048 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.436 -12.249 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.432 -13.951 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.830 -13.702 0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.550 -11.145 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.751 -11.684 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.706 -12.613 0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.855 -10.995 0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.779 -12.087 -2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.975 -13.624 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.113 -12.865 -2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.018 -12.674 -0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.858 -11.325 -1.425 1.00 0.00 H new ATOM 401 N ASP A 24 -4.497 -14.100 2.521 1.00 0.00 N ATOM 402 CA ASP A 24 -4.287 -14.075 3.958 1.00 0.00 C ATOM 403 C ASP A 24 -2.975 -13.366 4.272 1.00 0.00 C ATOM 404 O ASP A 24 -2.916 -12.502 5.146 1.00 0.00 O ATOM 405 CB ASP A 24 -4.268 -15.495 4.525 1.00 0.00 C ATOM 406 CG ASP A 24 -4.987 -15.597 5.857 1.00 0.00 C ATOM 407 OD1 ASP A 24 -6.200 -15.304 5.899 1.00 0.00 O ATOM 408 OD2 ASP A 24 -4.336 -15.969 6.854 1.00 0.00 O ATOM 0 H ASP A 24 -4.529 -15.034 2.113 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.110 -13.532 4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.734 -16.174 3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.235 -15.820 4.647 1.00 0.00 H new ATOM 413 N TYR A 25 -1.928 -13.735 3.541 1.00 0.00 N ATOM 414 CA TYR A 25 -0.616 -13.130 3.728 1.00 0.00 C ATOM 415 C TYR A 25 -0.630 -11.671 3.304 1.00 0.00 C ATOM 416 O TYR A 25 -0.185 -10.802 4.055 1.00 0.00 O ATOM 417 CB TYR A 25 0.450 -13.901 2.947 1.00 0.00 C ATOM 418 CG TYR A 25 1.851 -13.368 3.143 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.470 -13.429 4.385 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.555 -12.805 2.085 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.752 -12.943 4.567 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.836 -12.316 2.259 1.00 0.00 C ATOM 423 CZ TYR A 25 4.429 -12.388 3.503 1.00 0.00 C ATOM 424 OH TYR A 25 5.705 -11.903 3.680 1.00 0.00 O ATOM 0 H TYR A 25 -1.963 -14.450 2.814 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.370 -13.177 4.789 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.423 -14.948 3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.204 -13.870 1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.942 -13.863 5.221 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.093 -12.749 1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.220 -12.998 5.539 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.369 -11.880 1.427 1.00 0.00 H new ATOM 0 HH TYR A 25 5.766 -11.453 4.549 1.00 0.00 H new ATOM 434 N LEU A 26 -1.161 -11.391 2.117 1.00 0.00 N ATOM 435 CA LEU A 26 -1.235 -10.015 1.649 1.00 0.00 C ATOM 436 C LEU A 26 -2.008 -9.201 2.664 1.00 0.00 C ATOM 437 O LEU A 26 -1.608 -8.096 3.029 1.00 0.00 O ATOM 438 CB LEU A 26 -1.899 -9.929 0.272 1.00 0.00 C ATOM 439 CG LEU A 26 -2.165 -8.507 -0.228 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.888 -7.682 -0.202 1.00 0.00 C ATOM 441 CD2 LEU A 26 -2.753 -8.534 -1.630 1.00 0.00 C ATOM 0 H LEU A 26 -1.539 -12.086 1.474 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.225 -9.618 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.266 -10.441 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.845 -10.469 0.307 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.889 -8.040 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.098 -6.675 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.508 -7.632 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.141 -8.148 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.935 -7.514 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.053 -9.022 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.693 -9.086 -1.620 1.00 0.00 H new ATOM 453 N TYR A 27 -3.095 -9.781 3.164 1.00 0.00 N ATOM 454 CA TYR A 27 -3.879 -9.121 4.189 1.00 0.00 C ATOM 455 C TYR A 27 -2.998 -8.909 5.414 1.00 0.00 C ATOM 456 O TYR A 27 -3.129 -7.913 6.125 1.00 0.00 O ATOM 457 CB TYR A 27 -5.114 -9.946 4.559 1.00 0.00 C ATOM 458 CG TYR A 27 -6.392 -9.433 3.936 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.817 -8.129 4.157 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.172 -10.250 3.127 1.00 0.00 C ATOM 461 CE1 TYR A 27 -7.985 -7.653 3.590 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.340 -9.781 2.556 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.743 -8.483 2.791 1.00 0.00 C ATOM 464 OH TYR A 27 -9.905 -8.013 2.224 1.00 0.00 O ATOM 0 H TYR A 27 -3.445 -10.695 2.877 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.229 -8.161 3.809 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.957 -10.979 4.248 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.225 -9.952 5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.226 -7.476 4.782 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.861 -11.267 2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.302 -6.637 3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.935 -10.428 1.928 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.653 -8.162 2.839 1.00 0.00 H new ATOM 474 N ASP A 28 -2.074 -9.852 5.635 1.00 0.00 N ATOM 475 CA ASP A 28 -1.148 -9.761 6.752 1.00 0.00 C ATOM 476 C ASP A 28 -0.110 -8.674 6.492 1.00 0.00 C ATOM 477 O ASP A 28 0.348 -8.008 7.421 1.00 0.00 O ATOM 478 CB ASP A 28 -0.455 -11.104 6.983 1.00 0.00 C ATOM 479 CG ASP A 28 0.196 -11.193 8.349 1.00 0.00 C ATOM 480 OD1 ASP A 28 -0.374 -10.645 9.315 1.00 0.00 O ATOM 481 OD2 ASP A 28 1.278 -11.809 8.453 1.00 0.00 O ATOM 0 H ASP A 28 -1.954 -10.681 5.053 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.713 -9.501 7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.183 -11.908 6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.301 -11.256 6.213 1.00 0.00 H new ATOM 486 N VAL A 29 0.256 -8.494 5.221 1.00 0.00 N ATOM 487 CA VAL A 29 1.237 -7.479 4.855 1.00 0.00 C ATOM 488 C VAL A 29 0.721 -6.084 5.192 1.00 0.00 C ATOM 489 O VAL A 29 1.380 -5.323 5.901 1.00 0.00 O ATOM 490 CB VAL A 29 1.587 -7.547 3.352 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.535 -6.420 2.963 1.00 0.00 C ATOM 492 CG2 VAL A 29 2.196 -8.898 3.008 1.00 0.00 C ATOM 0 H VAL A 29 -0.110 -9.034 4.437 1.00 0.00 H new ATOM 0 HA VAL A 29 2.140 -7.680 5.432 1.00 0.00 H new ATOM 0 HB VAL A 29 0.665 -7.426 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.766 -6.490 1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.063 -5.460 3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.455 -6.503 3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.437 -8.929 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.105 -9.046 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.483 -9.689 3.242 1.00 0.00 H new ATOM 502 N LEU A 30 -0.464 -5.757 4.686 1.00 0.00 N ATOM 503 CA LEU A 30 -1.068 -4.455 4.945 1.00 0.00 C ATOM 504 C LEU A 30 -1.292 -4.262 6.440 1.00 0.00 C ATOM 505 O LEU A 30 -1.066 -3.179 6.980 1.00 0.00 O ATOM 506 CB LEU A 30 -2.394 -4.324 4.195 1.00 0.00 C ATOM 507 CG LEU A 30 -2.332 -4.669 2.706 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.607 -5.370 2.262 1.00 0.00 C ATOM 509 CD2 LEU A 30 -2.096 -3.415 1.879 1.00 0.00 C ATOM 0 H LEU A 30 -1.023 -6.373 4.096 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.386 -3.682 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.129 -4.972 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.754 -3.301 4.301 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.496 -5.350 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.541 -5.606 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.733 -6.291 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.461 -4.716 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.055 -3.679 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.911 -2.711 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.153 -2.956 2.176 1.00 0.00 H new ATOM 521 N ARG A 31 -1.731 -5.326 7.104 1.00 0.00 N ATOM 522 CA ARG A 31 -1.982 -5.283 8.538 1.00 0.00 C ATOM 523 C ARG A 31 -0.691 -4.994 9.296 1.00 0.00 C ATOM 524 O ARG A 31 -0.684 -4.235 10.266 1.00 0.00 O ATOM 525 CB ARG A 31 -2.587 -6.607 9.017 1.00 0.00 C ATOM 526 CG ARG A 31 -3.995 -6.465 9.573 1.00 0.00 C ATOM 527 CD ARG A 31 -5.026 -6.378 8.460 1.00 0.00 C ATOM 528 NE ARG A 31 -5.460 -7.697 8.011 1.00 0.00 N ATOM 529 CZ ARG A 31 -6.320 -8.463 8.681 1.00 0.00 C ATOM 530 NH1 ARG A 31 -6.839 -8.043 9.827 1.00 0.00 N ATOM 531 NH2 ARG A 31 -6.661 -9.652 8.203 1.00 0.00 N ATOM 0 H ARG A 31 -1.920 -6.230 6.670 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.693 -4.481 8.737 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.603 -7.312 8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.943 -7.035 9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.222 -7.316 10.215 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.053 -5.572 10.195 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.889 -5.812 8.809 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.605 -5.829 7.618 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.083 -8.053 7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.580 -7.129 10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.497 -8.634 10.336 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.265 -9.980 7.322 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.319 -10.238 8.716 1.00 0.00 H new ATOM 545 N MET A 32 0.403 -5.595 8.839 1.00 0.00 N ATOM 546 CA MET A 32 1.700 -5.395 9.467 1.00 0.00 C ATOM 547 C MET A 32 2.271 -4.035 9.068 1.00 0.00 C ATOM 548 O MET A 32 2.970 -3.390 9.846 1.00 0.00 O ATOM 549 CB MET A 32 2.655 -6.535 9.073 1.00 0.00 C ATOM 550 CG MET A 32 4.043 -6.081 8.644 1.00 0.00 C ATOM 551 SD MET A 32 5.247 -7.422 8.652 1.00 0.00 S ATOM 552 CE MET A 32 5.666 -7.490 10.392 1.00 0.00 C ATOM 0 H MET A 32 0.415 -6.224 8.036 1.00 0.00 H new ATOM 0 HA MET A 32 1.582 -5.408 10.551 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.755 -7.216 9.919 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.205 -7.103 8.258 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.988 -5.654 7.643 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.384 -5.288 9.310 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.443 -8.238 10.550 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.030 -6.515 10.717 1.00 0.00 H new ATOM 0 HE3 MET A 32 4.781 -7.758 10.969 1.00 0.00 H new ATOM 562 N TYR A 33 1.958 -3.609 7.848 1.00 0.00 N ATOM 563 CA TYR A 33 2.429 -2.327 7.341 1.00 0.00 C ATOM 564 C TYR A 33 1.794 -1.175 8.116 1.00 0.00 C ATOM 565 O TYR A 33 2.362 -0.089 8.205 1.00 0.00 O ATOM 566 CB TYR A 33 2.109 -2.199 5.848 1.00 0.00 C ATOM 567 CG TYR A 33 2.356 -0.817 5.280 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.447 -0.060 5.690 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.495 -0.271 4.337 1.00 0.00 C ATOM 570 CE1 TYR A 33 3.674 1.202 5.175 1.00 0.00 C ATOM 571 CE2 TYR A 33 1.716 0.990 3.816 1.00 0.00 C ATOM 572 CZ TYR A 33 2.805 1.722 4.238 1.00 0.00 C ATOM 573 OH TYR A 33 3.027 2.979 3.721 1.00 0.00 O ATOM 0 H TYR A 33 1.380 -4.134 7.192 1.00 0.00 H new ATOM 0 HA TYR A 33 3.510 -2.279 7.476 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.711 -2.920 5.295 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.064 -2.465 5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.129 -0.465 6.423 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.639 -0.841 4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.526 1.778 5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.038 1.400 3.082 1.00 0.00 H new ATOM 0 HH TYR A 33 2.324 3.195 3.073 1.00 0.00 H new ATOM 583 N HIS A 34 0.612 -1.418 8.671 1.00 0.00 N ATOM 584 CA HIS A 34 -0.095 -0.397 9.435 1.00 0.00 C ATOM 585 C HIS A 34 0.450 -0.298 10.857 1.00 0.00 C ATOM 586 O HIS A 34 0.438 0.773 11.464 1.00 0.00 O ATOM 587 CB HIS A 34 -1.592 -0.708 9.475 1.00 0.00 C ATOM 588 CG HIS A 34 -2.404 0.343 10.163 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.323 0.592 11.518 1.00 0.00 N ATOM 590 CD2 HIS A 34 -3.320 1.214 9.678 1.00 0.00 C ATOM 591 CE1 HIS A 34 -3.154 1.569 11.835 1.00 0.00 C ATOM 592 NE2 HIS A 34 -3.771 1.963 10.736 1.00 0.00 N ATOM 0 H HIS A 34 0.124 -2.311 8.606 1.00 0.00 H new ATOM 0 HA HIS A 34 0.061 0.561 8.939 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.957 -0.827 8.455 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.743 -1.661 9.981 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.637 1.303 8.649 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.303 1.976 12.824 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.470 2.704 10.682 1.00 0.00 H new ATOM 601 N GLN A 35 0.923 -1.422 11.386 1.00 0.00 N ATOM 602 CA GLN A 35 1.466 -1.462 12.741 1.00 0.00 C ATOM 603 C GLN A 35 2.882 -0.899 12.792 1.00 0.00 C ATOM 604 O GLN A 35 3.145 0.093 13.472 1.00 0.00 O ATOM 605 CB GLN A 35 1.453 -2.898 13.270 1.00 0.00 C ATOM 606 CG GLN A 35 0.459 -3.121 14.400 1.00 0.00 C ATOM 607 CD GLN A 35 0.870 -4.252 15.322 1.00 0.00 C ATOM 608 OE1 GLN A 35 2.057 -4.467 15.570 1.00 0.00 O ATOM 609 NE2 GLN A 35 -0.112 -4.982 15.836 1.00 0.00 N ATOM 0 H GLN A 35 0.942 -2.317 10.898 1.00 0.00 H new ATOM 0 HA GLN A 35 0.834 -0.838 13.373 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.217 -3.576 12.450 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.452 -3.157 13.620 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.360 -2.203 14.979 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.522 -3.339 13.978 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.082 -4.768 15.603 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.103 -5.757 16.464 1.00 0.00 H new ATOM 618 N THR A 36 3.792 -1.551 12.082 1.00 0.00 N ATOM 619 CA THR A 36 5.191 -1.133 12.054 1.00 0.00 C ATOM 620 C THR A 36 5.395 0.097 11.173 1.00 0.00 C ATOM 621 O THR A 36 6.373 0.827 11.336 1.00 0.00 O ATOM 622 CB THR A 36 6.076 -2.278 11.558 1.00 0.00 C ATOM 623 OG1 THR A 36 7.418 -1.847 11.411 1.00 0.00 O ATOM 624 CG2 THR A 36 5.631 -2.848 10.229 1.00 0.00 C ATOM 0 H THR A 36 3.588 -2.374 11.515 1.00 0.00 H new ATOM 0 HA THR A 36 5.475 -0.869 13.073 1.00 0.00 H new ATOM 0 HB THR A 36 5.990 -3.057 12.316 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.702 -1.972 10.481 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.302 -3.656 9.936 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.616 -3.235 10.321 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.654 -2.065 9.471 1.00 0.00 H new ATOM 632 N MET A 37 4.476 0.324 10.240 1.00 0.00 N ATOM 633 CA MET A 37 4.573 1.468 9.339 1.00 0.00 C ATOM 634 C MET A 37 5.833 1.375 8.482 1.00 0.00 C ATOM 635 O MET A 37 6.491 2.380 8.215 1.00 0.00 O ATOM 636 CB MET A 37 4.572 2.775 10.133 1.00 0.00 C ATOM 637 CG MET A 37 3.179 3.323 10.400 1.00 0.00 C ATOM 638 SD MET A 37 2.284 3.712 8.883 1.00 0.00 S ATOM 639 CE MET A 37 0.635 3.154 9.308 1.00 0.00 C ATOM 0 H MET A 37 3.658 -0.266 10.088 1.00 0.00 H new ATOM 0 HA MET A 37 3.705 1.457 8.680 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.078 2.613 11.085 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.149 3.522 9.588 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.610 2.594 10.976 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.257 4.222 11.012 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.138 2.774 8.415 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.700 2.361 10.053 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.062 3.988 9.715 1.00 0.00 H new ATOM 649 N ASP A 38 6.161 0.159 8.054 1.00 0.00 N ATOM 650 CA ASP A 38 7.339 -0.071 7.226 1.00 0.00 C ATOM 651 C ASP A 38 6.942 -0.330 5.777 1.00 0.00 C ATOM 652 O ASP A 38 6.338 -1.355 5.461 1.00 0.00 O ATOM 653 CB ASP A 38 8.144 -1.254 7.765 1.00 0.00 C ATOM 654 CG ASP A 38 9.204 -0.826 8.762 1.00 0.00 C ATOM 655 OD1 ASP A 38 9.931 0.149 8.474 1.00 0.00 O ATOM 656 OD2 ASP A 38 9.308 -1.465 9.829 1.00 0.00 O ATOM 0 H ASP A 38 5.626 -0.683 8.268 1.00 0.00 H new ATOM 0 HA ASP A 38 7.957 0.826 7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.467 -1.964 8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.620 -1.775 6.934 1.00 0.00 H new ATOM 661 N VAL A 39 7.288 0.606 4.900 1.00 0.00 N ATOM 662 CA VAL A 39 6.970 0.480 3.484 1.00 0.00 C ATOM 663 C VAL A 39 7.915 -0.498 2.793 1.00 0.00 C ATOM 664 O VAL A 39 7.569 -1.090 1.771 1.00 0.00 O ATOM 665 CB VAL A 39 7.050 1.843 2.770 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.516 1.735 1.350 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.291 2.903 3.553 1.00 0.00 C ATOM 0 H VAL A 39 7.789 1.460 5.146 1.00 0.00 H new ATOM 0 HA VAL A 39 5.950 0.102 3.420 1.00 0.00 H new ATOM 0 HB VAL A 39 8.097 2.143 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.581 2.708 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.108 1.009 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.476 1.411 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.359 3.858 3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.244 2.611 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.725 3.000 4.548 1.00 0.00 H new ATOM 677 N ALA A 40 9.104 -0.670 3.363 1.00 0.00 N ATOM 678 CA ALA A 40 10.090 -1.582 2.801 1.00 0.00 C ATOM 679 C ALA A 40 9.692 -3.025 3.062 1.00 0.00 C ATOM 680 O ALA A 40 10.051 -3.927 2.306 1.00 0.00 O ATOM 681 CB ALA A 40 11.466 -1.294 3.381 1.00 0.00 C ATOM 0 H ALA A 40 9.406 -0.191 4.211 1.00 0.00 H new ATOM 0 HA ALA A 40 10.129 -1.428 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.193 -1.983 2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.753 -0.270 3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.439 -1.422 4.463 1.00 0.00 H new ATOM 687 N VAL A 41 8.944 -3.236 4.140 1.00 0.00 N ATOM 688 CA VAL A 41 8.494 -4.568 4.501 1.00 0.00 C ATOM 689 C VAL A 41 7.300 -4.989 3.652 1.00 0.00 C ATOM 690 O VAL A 41 7.222 -6.129 3.194 1.00 0.00 O ATOM 691 CB VAL A 41 8.117 -4.655 5.992 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.729 -6.078 6.369 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.264 -4.160 6.859 1.00 0.00 C ATOM 0 H VAL A 41 8.639 -2.500 4.776 1.00 0.00 H new ATOM 0 HA VAL A 41 9.326 -5.246 4.313 1.00 0.00 H new ATOM 0 HB VAL A 41 7.253 -4.013 6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.467 -6.116 7.426 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.873 -6.392 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.569 -6.746 6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.982 -4.228 7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.147 -4.774 6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.487 -3.123 6.610 1.00 0.00 H new ATOM 703 N LEU A 42 6.370 -4.061 3.443 1.00 0.00 N ATOM 704 CA LEU A 42 5.185 -4.345 2.646 1.00 0.00 C ATOM 705 C LEU A 42 5.568 -4.614 1.194 1.00 0.00 C ATOM 706 O LEU A 42 5.007 -5.501 0.549 1.00 0.00 O ATOM 707 CB LEU A 42 4.182 -3.186 2.738 1.00 0.00 C ATOM 708 CG LEU A 42 4.415 -2.026 1.765 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.797 -2.334 0.411 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.842 -0.736 2.332 1.00 0.00 C ATOM 0 H LEU A 42 6.415 -3.112 3.813 1.00 0.00 H new ATOM 0 HA LEU A 42 4.708 -5.240 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.181 -3.582 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.202 -2.793 3.754 1.00 0.00 H new ATOM 0 HG LEU A 42 5.489 -1.898 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.972 -1.499 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.251 -3.236 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.724 -2.488 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.015 0.079 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.771 -0.854 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.329 -0.507 3.280 1.00 0.00 H new ATOM 722 N VAL A 43 6.534 -3.852 0.687 1.00 0.00 N ATOM 723 CA VAL A 43 6.993 -4.024 -0.687 1.00 0.00 C ATOM 724 C VAL A 43 7.638 -5.395 -0.867 1.00 0.00 C ATOM 725 O VAL A 43 7.391 -6.084 -1.859 1.00 0.00 O ATOM 726 CB VAL A 43 8.002 -2.930 -1.089 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.458 -3.117 -2.529 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.396 -1.549 -0.894 1.00 0.00 C ATOM 0 H VAL A 43 7.011 -3.114 1.204 1.00 0.00 H new ATOM 0 HA VAL A 43 6.119 -3.943 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 43 8.876 -3.018 -0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.169 -2.333 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.935 -4.091 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.596 -3.061 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.122 -0.789 -1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.504 -1.452 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.127 -1.414 0.154 1.00 0.00 H new ATOM 738 N GLY A 44 8.460 -5.791 0.103 1.00 0.00 N ATOM 739 CA GLY A 44 9.119 -7.081 0.034 1.00 0.00 C ATOM 740 C GLY A 44 8.128 -8.221 -0.081 1.00 0.00 C ATOM 741 O GLY A 44 8.227 -9.052 -0.985 1.00 0.00 O ATOM 0 H GLY A 44 8.680 -5.241 0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.792 -7.098 -0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.732 -7.223 0.924 1.00 0.00 H new ATOM 745 N ASP A 45 7.165 -8.256 0.833 1.00 0.00 N ATOM 746 CA ASP A 45 6.144 -9.296 0.827 1.00 0.00 C ATOM 747 C ASP A 45 5.344 -9.251 -0.470 1.00 0.00 C ATOM 748 O ASP A 45 5.085 -10.284 -1.092 1.00 0.00 O ATOM 749 CB ASP A 45 5.208 -9.131 2.025 1.00 0.00 C ATOM 750 CG ASP A 45 5.948 -9.191 3.347 1.00 0.00 C ATOM 751 OD1 ASP A 45 7.179 -8.982 3.350 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.295 -9.449 4.381 1.00 0.00 O ATOM 0 H ASP A 45 7.070 -7.576 1.587 1.00 0.00 H new ATOM 0 HA ASP A 45 6.640 -10.264 0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.686 -8.177 1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.449 -9.913 2.000 1.00 0.00 H new ATOM 757 N LEU A 46 4.962 -8.043 -0.881 1.00 0.00 N ATOM 758 CA LEU A 46 4.196 -7.860 -2.110 1.00 0.00 C ATOM 759 C LEU A 46 4.864 -8.585 -3.275 1.00 0.00 C ATOM 760 O LEU A 46 4.192 -9.189 -4.109 1.00 0.00 O ATOM 761 CB LEU A 46 4.053 -6.369 -2.433 1.00 0.00 C ATOM 762 CG LEU A 46 2.769 -5.711 -1.920 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.731 -4.242 -2.317 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.539 -6.437 -2.450 1.00 0.00 C ATOM 0 H LEU A 46 5.170 -7.179 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 46 3.204 -8.285 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.907 -5.839 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.100 -6.242 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 46 2.762 -5.779 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.812 -3.788 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.590 -3.727 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.763 -4.158 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.639 -5.952 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.539 -6.405 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.558 -7.475 -2.118 1.00 0.00 H new ATOM 776 N LYS A 47 6.192 -8.526 -3.319 1.00 0.00 N ATOM 777 CA LYS A 47 6.948 -9.186 -4.376 1.00 0.00 C ATOM 778 C LYS A 47 6.853 -10.702 -4.238 1.00 0.00 C ATOM 779 O LYS A 47 6.544 -11.408 -5.202 1.00 0.00 O ATOM 780 CB LYS A 47 8.414 -8.749 -4.334 1.00 0.00 C ATOM 781 CG LYS A 47 8.705 -7.516 -5.176 1.00 0.00 C ATOM 782 CD LYS A 47 8.289 -6.242 -4.460 1.00 0.00 C ATOM 783 CE LYS A 47 8.511 -5.016 -5.330 1.00 0.00 C ATOM 784 NZ LYS A 47 9.932 -4.573 -5.315 1.00 0.00 N ATOM 0 H LYS A 47 6.764 -8.029 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 47 6.519 -8.895 -5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.695 -8.548 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.040 -9.571 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.770 -7.474 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.176 -7.590 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.237 -6.307 -4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.857 -6.141 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.211 -5.239 -6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.874 -4.203 -4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.028 -3.696 -5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.232 -4.401 -4.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.531 -5.313 -5.735 1.00 0.00 H new ATOM 798 N LEU A 48 7.111 -11.197 -3.031 1.00 0.00 N ATOM 799 CA LEU A 48 7.048 -12.631 -2.762 1.00 0.00 C ATOM 800 C LEU A 48 5.716 -13.207 -3.229 1.00 0.00 C ATOM 801 O LEU A 48 5.622 -14.388 -3.567 1.00 0.00 O ATOM 802 CB LEU A 48 7.243 -12.902 -1.268 1.00 0.00 C ATOM 803 CG LEU A 48 8.687 -13.166 -0.841 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.770 -13.383 0.661 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.250 -14.368 -1.586 1.00 0.00 C ATOM 0 H LEU A 48 7.365 -10.627 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 48 7.850 -13.118 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.865 -12.047 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.634 -13.762 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 48 9.286 -12.291 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.806 -13.569 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.406 -12.495 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.158 -14.241 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.279 -14.542 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.648 -15.249 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.227 -14.175 -2.658 1.00 0.00 H new ATOM 817 N VAL A 49 4.691 -12.361 -3.258 1.00 0.00 N ATOM 818 CA VAL A 49 3.367 -12.779 -3.698 1.00 0.00 C ATOM 819 C VAL A 49 3.124 -12.347 -5.139 1.00 0.00 C ATOM 820 O VAL A 49 2.359 -12.976 -5.869 1.00 0.00 O ATOM 821 CB VAL A 49 2.264 -12.186 -2.800 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.901 -12.748 -3.181 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.568 -12.454 -1.334 1.00 0.00 C ATOM 0 H VAL A 49 4.753 -11.381 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 49 3.329 -13.866 -3.629 1.00 0.00 H new ATOM 0 HB VAL A 49 2.240 -11.107 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.136 -12.317 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.682 -12.499 -4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.908 -13.831 -3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.778 -12.028 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.622 -13.529 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.522 -11.997 -1.071 1.00 0.00 H new ATOM 833 N ILE A 50 3.783 -11.263 -5.539 1.00 0.00 N ATOM 834 CA ILE A 50 3.645 -10.736 -6.890 1.00 0.00 C ATOM 835 C ILE A 50 4.864 -11.072 -7.745 1.00 0.00 C ATOM 836 O ILE A 50 5.170 -10.383 -8.717 1.00 0.00 O ATOM 837 CB ILE A 50 3.432 -9.209 -6.868 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.240 -8.857 -5.981 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.225 -8.672 -8.275 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.297 -7.453 -5.425 1.00 0.00 C ATOM 0 H ILE A 50 4.419 -10.732 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 50 2.769 -11.210 -7.333 1.00 0.00 H new ATOM 0 HB ILE A 50 4.326 -8.742 -6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.322 -8.975 -6.556 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.191 -9.565 -5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.077 -7.593 -8.234 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.102 -8.895 -8.882 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.347 -9.142 -8.718 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.419 -7.271 -4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.198 -7.337 -4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.315 -6.737 -6.246 1.00 0.00 H new ATOM 852 N ASN A 51 5.552 -12.141 -7.376 1.00 0.00 N ATOM 853 CA ASN A 51 6.736 -12.583 -8.107 1.00 0.00 C ATOM 854 C ASN A 51 6.452 -12.662 -9.607 1.00 0.00 C ATOM 855 O ASN A 51 7.358 -12.517 -10.427 1.00 0.00 O ATOM 856 CB ASN A 51 7.202 -13.946 -7.588 1.00 0.00 C ATOM 857 CG ASN A 51 8.401 -13.832 -6.667 1.00 0.00 C ATOM 858 OD1 ASN A 51 9.401 -13.199 -7.004 1.00 0.00 O ATOM 859 ND2 ASN A 51 8.307 -14.449 -5.494 1.00 0.00 N ATOM 0 H ASN A 51 5.312 -12.722 -6.573 1.00 0.00 H new ATOM 0 HA ASN A 51 7.528 -11.852 -7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.383 -14.429 -7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.455 -14.587 -8.433 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.083 -14.409 -4.833 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.459 -14.963 -5.255 1.00 0.00 H new ATOM 866 N GLU A 52 5.189 -12.891 -9.956 1.00 0.00 N ATOM 867 CA GLU A 52 4.787 -12.986 -11.356 1.00 0.00 C ATOM 868 C GLU A 52 4.136 -11.684 -11.823 1.00 0.00 C ATOM 869 O GLU A 52 3.441 -11.019 -11.054 1.00 0.00 O ATOM 870 CB GLU A 52 3.819 -14.153 -11.553 1.00 0.00 C ATOM 871 CG GLU A 52 4.507 -15.461 -11.907 1.00 0.00 C ATOM 872 CD GLU A 52 4.884 -15.544 -13.372 1.00 0.00 C ATOM 873 OE1 GLU A 52 5.997 -15.100 -13.725 1.00 0.00 O ATOM 874 OE2 GLU A 52 4.067 -16.051 -14.168 1.00 0.00 O ATOM 0 H GLU A 52 4.427 -13.014 -9.289 1.00 0.00 H new ATOM 0 HA GLU A 52 5.681 -13.161 -11.955 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.240 -14.292 -10.640 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.112 -13.899 -12.343 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.404 -15.572 -11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.848 -16.293 -11.658 1.00 0.00 H new ATOM 881 N PRO A 53 4.357 -11.298 -13.094 1.00 0.00 N ATOM 882 CA PRO A 53 3.788 -10.065 -13.656 1.00 0.00 C ATOM 883 C PRO A 53 2.265 -10.026 -13.565 1.00 0.00 C ATOM 884 O PRO A 53 1.662 -8.952 -13.554 1.00 0.00 O ATOM 885 CB PRO A 53 4.232 -10.096 -15.122 1.00 0.00 C ATOM 886 CG PRO A 53 5.416 -10.998 -15.150 1.00 0.00 C ATOM 887 CD PRO A 53 5.176 -12.025 -14.079 1.00 0.00 C ATOM 0 HA PRO A 53 4.127 -9.184 -13.112 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.437 -10.470 -15.767 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.488 -9.098 -15.477 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.525 -11.470 -16.127 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.335 -10.443 -14.960 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.655 -12.899 -14.469 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.110 -12.379 -13.643 1.00 0.00 H new ATOM 895 N SER A 54 1.647 -11.201 -13.509 1.00 0.00 N ATOM 896 CA SER A 54 0.192 -11.299 -13.429 1.00 0.00 C ATOM 897 C SER A 54 -0.352 -10.534 -12.225 1.00 0.00 C ATOM 898 O SER A 54 -1.406 -9.903 -12.304 1.00 0.00 O ATOM 899 CB SER A 54 -0.237 -12.764 -13.352 1.00 0.00 C ATOM 900 OG SER A 54 -1.647 -12.887 -13.400 1.00 0.00 O ATOM 0 H SER A 54 2.130 -12.099 -13.517 1.00 0.00 H new ATOM 0 HA SER A 54 -0.222 -10.850 -14.332 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.208 -13.320 -14.177 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.138 -13.208 -12.430 1.00 0.00 H new ATOM 0 HG SER A 54 -1.895 -13.834 -13.351 1.00 0.00 H new ATOM 906 N ARG A 55 0.369 -10.598 -11.110 1.00 0.00 N ATOM 907 CA ARG A 55 -0.049 -9.914 -9.888 1.00 0.00 C ATOM 908 C ARG A 55 0.470 -8.476 -9.837 1.00 0.00 C ATOM 909 O ARG A 55 0.442 -7.837 -8.787 1.00 0.00 O ATOM 910 CB ARG A 55 0.437 -10.687 -8.662 1.00 0.00 C ATOM 911 CG ARG A 55 -0.303 -11.996 -8.433 1.00 0.00 C ATOM 912 CD ARG A 55 0.639 -13.190 -8.478 1.00 0.00 C ATOM 913 NE ARG A 55 0.498 -13.954 -9.715 1.00 0.00 N ATOM 914 CZ ARG A 55 -0.605 -14.617 -10.055 1.00 0.00 C ATOM 915 NH1 ARG A 55 -1.664 -14.613 -9.254 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.650 -15.288 -11.198 1.00 0.00 N ATOM 0 H ARG A 55 1.244 -11.115 -11.026 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.138 -9.875 -9.887 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.501 -10.896 -8.773 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.326 -10.058 -7.779 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.806 -11.965 -7.466 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.077 -12.114 -9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.668 -12.843 -8.382 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.441 -13.840 -7.626 1.00 0.00 H new ATOM 0 HE ARG A 55 1.291 -13.981 -10.356 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.635 -14.100 -8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.506 -15.123 -9.520 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.161 -15.296 -11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.495 -15.796 -11.458 1.00 0.00 H new ATOM 930 N LEU A 56 0.942 -7.969 -10.974 1.00 0.00 N ATOM 931 CA LEU A 56 1.466 -6.606 -11.054 1.00 0.00 C ATOM 932 C LEU A 56 0.482 -5.585 -10.475 1.00 0.00 C ATOM 933 O LEU A 56 0.841 -4.804 -9.595 1.00 0.00 O ATOM 934 CB LEU A 56 1.788 -6.250 -12.507 1.00 0.00 C ATOM 935 CG LEU A 56 3.223 -6.547 -12.943 1.00 0.00 C ATOM 936 CD1 LEU A 56 3.298 -6.713 -14.452 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.159 -5.443 -12.478 1.00 0.00 C ATOM 0 H LEU A 56 0.973 -8.482 -11.855 1.00 0.00 H new ATOM 0 HA LEU A 56 2.378 -6.568 -10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.106 -6.796 -13.159 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.591 -5.189 -12.657 1.00 0.00 H new ATOM 0 HG LEU A 56 3.538 -7.482 -12.480 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.327 -6.924 -14.744 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.657 -7.539 -14.759 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.964 -5.795 -14.936 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.176 -5.670 -12.797 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.846 -4.494 -12.913 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.127 -5.372 -11.391 1.00 0.00 H new ATOM 949 N PRO A 57 -0.771 -5.569 -10.974 1.00 0.00 N ATOM 950 CA PRO A 57 -1.810 -4.638 -10.526 1.00 0.00 C ATOM 951 C PRO A 57 -1.745 -4.314 -9.033 1.00 0.00 C ATOM 952 O PRO A 57 -2.099 -3.212 -8.619 1.00 0.00 O ATOM 953 CB PRO A 57 -3.119 -5.374 -10.858 1.00 0.00 C ATOM 954 CG PRO A 57 -2.736 -6.593 -11.647 1.00 0.00 C ATOM 955 CD PRO A 57 -1.290 -6.439 -12.030 1.00 0.00 C ATOM 0 HA PRO A 57 -1.703 -3.669 -11.014 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.649 -5.652 -9.947 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.788 -4.734 -11.433 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.883 -7.496 -11.055 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.361 -6.689 -12.535 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.773 -7.398 -12.055 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.178 -5.990 -13.017 1.00 0.00 H new ATOM 963 N LEU A 58 -1.299 -5.272 -8.226 1.00 0.00 N ATOM 964 CA LEU A 58 -1.202 -5.069 -6.781 1.00 0.00 C ATOM 965 C LEU A 58 -0.386 -3.822 -6.448 1.00 0.00 C ATOM 966 O LEU A 58 -0.757 -3.045 -5.567 1.00 0.00 O ATOM 967 CB LEU A 58 -0.576 -6.295 -6.113 1.00 0.00 C ATOM 968 CG LEU A 58 -1.472 -7.001 -5.092 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.830 -8.298 -4.626 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.751 -6.086 -3.909 1.00 0.00 C ATOM 0 H LEU A 58 -1.000 -6.194 -8.545 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.212 -4.927 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.299 -7.010 -6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.345 -5.989 -5.616 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.420 -7.242 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.481 -8.786 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.680 -8.958 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.132 -8.081 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.389 -6.603 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.811 -5.815 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.253 -5.184 -4.258 1.00 0.00 H new ATOM 982 N PHE A 59 0.726 -3.638 -7.149 1.00 0.00 N ATOM 983 CA PHE A 59 1.595 -2.488 -6.918 1.00 0.00 C ATOM 984 C PHE A 59 0.857 -1.175 -7.170 1.00 0.00 C ATOM 985 O PHE A 59 0.874 -0.271 -6.332 1.00 0.00 O ATOM 986 CB PHE A 59 2.829 -2.568 -7.818 1.00 0.00 C ATOM 987 CG PHE A 59 3.564 -3.875 -7.719 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.814 -4.453 -6.484 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.004 -4.525 -8.860 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.493 -5.654 -6.391 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.681 -5.726 -8.773 1.00 0.00 C ATOM 992 CZ PHE A 59 4.926 -6.291 -7.536 1.00 0.00 C ATOM 0 H PHE A 59 1.048 -4.270 -7.882 1.00 0.00 H new ATOM 0 HA PHE A 59 1.906 -2.511 -5.874 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.524 -2.410 -8.853 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.510 -1.757 -7.559 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.475 -3.960 -5.585 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.816 -4.088 -9.829 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.684 -6.093 -5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.018 -6.223 -9.671 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.456 -7.230 -7.465 1.00 0.00 H new ATOM 1002 N ASP A 60 0.211 -1.074 -8.327 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.529 0.129 -8.686 1.00 0.00 C ATOM 1004 C ASP A 60 -1.838 0.212 -7.911 1.00 0.00 C ATOM 1005 O ASP A 60 -2.367 1.297 -7.680 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.810 0.153 -10.189 1.00 0.00 C ATOM 1007 CG ASP A 60 0.268 0.884 -10.967 1.00 0.00 C ATOM 1008 OD1 ASP A 60 1.258 0.234 -11.366 1.00 0.00 O ATOM 1009 OD2 ASP A 60 0.121 2.107 -11.178 1.00 0.00 O ATOM 0 H ASP A 60 0.185 -1.811 -9.032 1.00 0.00 H new ATOM 0 HA ASP A 60 0.083 0.993 -8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.890 -0.870 -10.557 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.772 0.633 -10.368 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.353 -0.943 -7.519 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.599 -1.018 -6.771 1.00 0.00 C ATOM 1016 C ALA A 61 -3.448 -0.425 -5.372 1.00 0.00 C ATOM 1017 O ALA A 61 -4.275 0.369 -4.930 1.00 0.00 O ATOM 1018 CB ALA A 61 -4.061 -2.463 -6.689 1.00 0.00 C ATOM 0 H ALA A 61 -1.923 -1.848 -7.708 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.350 -0.428 -7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.994 -2.515 -6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.220 -2.852 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.301 -3.060 -6.185 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.392 -0.835 -4.677 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.125 -0.366 -3.321 1.00 0.00 C ATOM 1026 C ILE A 62 -1.589 1.067 -3.302 1.00 0.00 C ATOM 1027 O ILE A 62 -1.867 1.832 -2.381 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.123 -1.290 -2.597 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.532 -2.756 -2.762 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -1.032 -0.927 -1.122 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.370 -3.720 -2.674 1.00 0.00 C ATOM 0 H ILE A 62 -1.702 -1.496 -5.034 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.081 -0.385 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.140 -1.152 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.263 -3.010 -1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.025 -2.881 -3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.321 -1.589 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.697 0.105 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.013 -1.037 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.733 -4.740 -2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.352 -3.493 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.110 -3.623 -1.700 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.797 1.412 -4.313 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.190 2.740 -4.411 1.00 0.00 C ATOM 1045 C ARG A 63 -1.162 3.877 -4.061 1.00 0.00 C ATOM 1046 O ARG A 63 -0.840 4.730 -3.234 1.00 0.00 O ATOM 1047 CB ARG A 63 0.362 2.956 -5.821 1.00 0.00 C ATOM 1048 CG ARG A 63 1.700 3.676 -5.847 1.00 0.00 C ATOM 1049 CD ARG A 63 2.327 3.638 -7.232 1.00 0.00 C ATOM 1050 NE ARG A 63 2.654 2.276 -7.647 1.00 0.00 N ATOM 1051 CZ ARG A 63 3.484 1.985 -8.647 1.00 0.00 C ATOM 1052 NH1 ARG A 63 4.070 2.957 -9.335 1.00 0.00 N ATOM 1053 NH2 ARG A 63 3.725 0.720 -8.959 1.00 0.00 N ATOM 0 H ARG A 63 -0.558 0.787 -5.082 1.00 0.00 H new ATOM 0 HA ARG A 63 0.615 2.771 -3.676 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.470 1.989 -6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.361 3.529 -6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.563 4.712 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.377 3.215 -5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.641 4.082 -7.953 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.232 4.246 -7.237 1.00 0.00 H new ATOM 0 HE ARG A 63 2.221 1.503 -7.141 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.885 3.932 -9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.705 2.729 -10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.275 -0.030 -8.434 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.360 0.496 -9.725 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.352 3.928 -4.688 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.331 4.993 -4.430 1.00 0.00 C ATOM 1069 C PRO A 64 -3.640 5.175 -2.946 1.00 0.00 C ATOM 1070 O PRO A 64 -3.544 6.283 -2.419 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.586 4.541 -5.192 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.331 3.124 -5.584 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.840 2.987 -5.700 1.00 0.00 C ATOM 0 HA PRO A 64 -2.951 5.962 -4.754 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.474 4.620 -4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.758 5.165 -6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.729 2.436 -4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.819 2.887 -6.529 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.510 1.968 -5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.486 3.245 -6.698 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.012 4.090 -2.274 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.330 4.157 -0.850 1.00 0.00 C ATOM 1083 C LEU A 65 -3.066 4.318 -0.006 1.00 0.00 C ATOM 1084 O LEU A 65 -3.145 4.558 1.199 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.103 2.911 -0.408 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.424 1.577 -0.719 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.653 0.586 0.412 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.936 1.016 -2.037 1.00 0.00 C ATOM 0 H LEU A 65 -4.100 3.162 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.958 5.034 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.273 2.971 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.082 2.922 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.351 1.747 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.163 -0.358 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.238 0.987 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.723 0.418 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.443 0.066 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.013 0.859 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.720 1.720 -2.841 1.00 0.00 H new ATOM 1100 N ILE A 66 -1.904 4.192 -0.641 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.632 4.332 0.056 1.00 0.00 C ATOM 1102 C ILE A 66 -0.227 5.805 0.155 1.00 0.00 C ATOM 1103 O ILE A 66 -0.288 6.539 -0.832 1.00 0.00 O ATOM 1104 CB ILE A 66 0.487 3.529 -0.655 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.406 2.050 -0.269 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.865 4.086 -0.320 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.497 1.200 -0.889 1.00 0.00 C ATOM 0 H ILE A 66 -1.819 3.993 -1.638 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.763 3.931 1.061 1.00 0.00 H new ATOM 0 HB ILE A 66 0.337 3.624 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.462 1.963 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.565 1.657 -0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.628 3.502 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.926 5.125 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.028 4.030 0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.376 0.164 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.429 1.257 -1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.471 1.567 -0.567 1.00 0.00 H new ATOM 1119 N PRO A 67 0.204 6.257 1.348 1.00 0.00 N ATOM 1120 CA PRO A 67 0.630 7.641 1.569 1.00 0.00 C ATOM 1121 C PRO A 67 1.533 8.152 0.474 1.00 0.00 C ATOM 1122 O PRO A 67 2.421 7.456 -0.017 1.00 0.00 O ATOM 1123 CB PRO A 67 1.373 7.599 2.914 1.00 0.00 C ATOM 1124 CG PRO A 67 1.426 6.158 3.317 1.00 0.00 C ATOM 1125 CD PRO A 67 0.323 5.462 2.574 1.00 0.00 C ATOM 0 HA PRO A 67 -0.221 8.322 1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.377 8.013 2.817 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.853 8.194 3.665 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.394 5.722 3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.294 6.052 4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.573 4.423 2.359 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.606 5.455 3.143 1.00 0.00 H new ATOM 1133 N LEU A 68 1.271 9.387 0.105 1.00 0.00 N ATOM 1134 CA LEU A 68 2.005 10.075 -0.927 1.00 0.00 C ATOM 1135 C LEU A 68 3.513 9.973 -0.706 1.00 0.00 C ATOM 1136 O LEU A 68 4.267 9.683 -1.635 1.00 0.00 O ATOM 1137 CB LEU A 68 1.552 11.521 -0.902 1.00 0.00 C ATOM 1138 CG LEU A 68 0.590 11.911 -2.016 1.00 0.00 C ATOM 1139 CD1 LEU A 68 0.227 13.385 -1.920 1.00 0.00 C ATOM 1140 CD2 LEU A 68 1.188 11.591 -3.378 1.00 0.00 C ATOM 0 H LEU A 68 0.529 9.948 0.523 1.00 0.00 H new ATOM 0 HA LEU A 68 1.807 9.621 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.074 11.720 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.431 12.163 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.323 11.327 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.461 13.643 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.249 13.581 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.130 13.989 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.485 11.877 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.118 12.144 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.390 10.522 -3.445 1.00 0.00 H new ATOM 1152 N LYS A 69 3.948 10.200 0.529 1.00 0.00 N ATOM 1153 CA LYS A 69 5.365 10.117 0.861 1.00 0.00 C ATOM 1154 C LYS A 69 5.881 8.703 0.612 1.00 0.00 C ATOM 1155 O LYS A 69 6.830 8.495 -0.151 1.00 0.00 O ATOM 1156 CB LYS A 69 5.592 10.507 2.323 1.00 0.00 C ATOM 1157 CG LYS A 69 6.248 11.869 2.492 1.00 0.00 C ATOM 1158 CD LYS A 69 5.594 12.671 3.604 1.00 0.00 C ATOM 1159 CE LYS A 69 6.403 12.607 4.889 1.00 0.00 C ATOM 1160 NZ LYS A 69 7.304 13.784 5.038 1.00 0.00 N ATOM 0 H LYS A 69 3.342 10.442 1.313 1.00 0.00 H new ATOM 0 HA LYS A 69 5.913 10.811 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.635 10.506 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.215 9.751 2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 69 7.308 11.738 2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.183 12.424 1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.489 13.710 3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.589 12.290 3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.726 12.558 5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.996 11.692 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.838 13.702 5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.967 13.817 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.737 14.656 5.054 1.00 0.00 H new ATOM 1174 N HIS A 70 5.238 7.733 1.252 1.00 0.00 N ATOM 1175 CA HIS A 70 5.615 6.337 1.099 1.00 0.00 C ATOM 1176 C HIS A 70 5.436 5.888 -0.348 1.00 0.00 C ATOM 1177 O HIS A 70 6.072 4.935 -0.793 1.00 0.00 O ATOM 1178 CB HIS A 70 4.782 5.455 2.028 1.00 0.00 C ATOM 1179 CG HIS A 70 4.822 5.891 3.460 1.00 0.00 C ATOM 1180 ND1 HIS A 70 4.322 5.128 4.494 1.00 0.00 N ATOM 1181 CD2 HIS A 70 5.308 7.021 4.030 1.00 0.00 C ATOM 1182 CE1 HIS A 70 4.497 5.768 5.637 1.00 0.00 C ATOM 1183 NE2 HIS A 70 5.092 6.918 5.382 1.00 0.00 N ATOM 0 H HIS A 70 4.452 7.890 1.883 1.00 0.00 H new ATOM 0 HA HIS A 70 6.667 6.236 1.367 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.747 5.455 1.685 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.140 4.428 1.959 1.00 0.00 H new ATOM 0 HD1 HIS A 70 3.885 4.212 4.393 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.777 7.847 3.517 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.203 5.411 6.613 1.00 0.00 H new ATOM 1192 N GLN A 71 4.573 6.588 -1.081 1.00 0.00 N ATOM 1193 CA GLN A 71 4.324 6.264 -2.480 1.00 0.00 C ATOM 1194 C GLN A 71 5.600 6.451 -3.291 1.00 0.00 C ATOM 1195 O GLN A 71 6.011 5.566 -4.042 1.00 0.00 O ATOM 1196 CB GLN A 71 3.205 7.145 -3.042 1.00 0.00 C ATOM 1197 CG GLN A 71 1.896 6.403 -3.255 1.00 0.00 C ATOM 1198 CD GLN A 71 0.938 7.158 -4.155 1.00 0.00 C ATOM 1199 OE1 GLN A 71 1.209 7.362 -5.337 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -0.190 7.580 -3.594 1.00 0.00 N ATOM 0 H GLN A 71 4.037 7.381 -0.729 1.00 0.00 H new ATOM 0 HA GLN A 71 4.010 5.222 -2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.034 7.979 -2.361 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.531 7.570 -3.991 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.103 5.425 -3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.421 6.228 -2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.373 7.388 -2.609 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.873 8.096 -4.148 1.00 0.00 H new ATOM 1209 N VAL A 72 6.234 7.607 -3.118 1.00 0.00 N ATOM 1210 CA VAL A 72 7.474 7.905 -3.819 1.00 0.00 C ATOM 1211 C VAL A 72 8.552 6.916 -3.410 1.00 0.00 C ATOM 1212 O VAL A 72 9.161 6.258 -4.252 1.00 0.00 O ATOM 1213 CB VAL A 72 7.974 9.329 -3.522 1.00 0.00 C ATOM 1214 CG1 VAL A 72 9.022 9.749 -4.541 1.00 0.00 C ATOM 1215 CG2 VAL A 72 6.816 10.316 -3.497 1.00 0.00 C ATOM 0 H VAL A 72 5.909 8.350 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 72 7.268 7.826 -4.886 1.00 0.00 H new ATOM 0 HB VAL A 72 8.437 9.330 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.365 10.759 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.867 9.061 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.587 9.728 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.195 11.316 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.316 10.315 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.107 10.025 -2.722 1.00 0.00 H new ATOM 1225 N GLU A 73 8.775 6.802 -2.100 1.00 0.00 N ATOM 1226 CA GLU A 73 9.772 5.874 -1.582 1.00 0.00 C ATOM 1227 C GLU A 73 9.439 4.461 -2.033 1.00 0.00 C ATOM 1228 O GLU A 73 10.328 3.667 -2.342 1.00 0.00 O ATOM 1229 CB GLU A 73 9.835 5.943 -0.054 1.00 0.00 C ATOM 1230 CG GLU A 73 11.218 5.663 0.510 1.00 0.00 C ATOM 1231 CD GLU A 73 12.061 6.917 0.639 1.00 0.00 C ATOM 1232 OE1 GLU A 73 12.604 7.375 -0.389 1.00 0.00 O ATOM 1233 OE2 GLU A 73 12.177 7.442 1.766 1.00 0.00 O ATOM 0 H GLU A 73 8.281 7.338 -1.386 1.00 0.00 H new ATOM 0 HA GLU A 73 10.749 6.155 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.513 6.932 0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.129 5.225 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.119 5.194 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.731 4.949 -0.135 1.00 0.00 H new ATOM 1240 N TYR A 74 8.145 4.169 -2.103 1.00 0.00 N ATOM 1241 CA TYR A 74 7.686 2.867 -2.558 1.00 0.00 C ATOM 1242 C TYR A 74 8.172 2.648 -3.983 1.00 0.00 C ATOM 1243 O TYR A 74 8.495 1.528 -4.382 1.00 0.00 O ATOM 1244 CB TYR A 74 6.159 2.782 -2.494 1.00 0.00 C ATOM 1245 CG TYR A 74 5.595 1.496 -3.060 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.472 1.313 -4.431 1.00 0.00 C ATOM 1247 CD2 TYR A 74 5.185 0.468 -2.221 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.955 0.141 -4.952 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.668 -0.707 -2.732 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.556 -0.865 -4.096 1.00 0.00 C ATOM 1251 OH TYR A 74 4.041 -2.033 -4.611 1.00 0.00 O ATOM 0 H TYR A 74 7.399 4.817 -1.850 1.00 0.00 H new ATOM 0 HA TYR A 74 8.090 2.090 -1.909 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.842 2.881 -1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.734 3.625 -3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.785 2.099 -5.102 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.272 0.589 -1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.864 0.014 -6.021 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.354 -1.497 -2.066 1.00 0.00 H new ATOM 0 HH TYR A 74 4.590 -2.327 -5.367 1.00 0.00 H new ATOM 1261 N ASP A 75 8.238 3.743 -4.739 1.00 0.00 N ATOM 1262 CA ASP A 75 8.708 3.695 -6.115 1.00 0.00 C ATOM 1263 C ASP A 75 10.218 3.485 -6.153 1.00 0.00 C ATOM 1264 O ASP A 75 10.744 2.837 -7.059 1.00 0.00 O ATOM 1265 CB ASP A 75 8.335 4.984 -6.851 1.00 0.00 C ATOM 1266 CG ASP A 75 7.638 4.715 -8.171 1.00 0.00 C ATOM 1267 OD1 ASP A 75 6.408 4.494 -8.159 1.00 0.00 O ATOM 1268 OD2 ASP A 75 8.322 4.728 -9.216 1.00 0.00 O ATOM 0 H ASP A 75 7.971 4.673 -4.418 1.00 0.00 H new ATOM 0 HA ASP A 75 8.226 2.855 -6.616 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.685 5.587 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.236 5.570 -7.032 1.00 0.00 H new ATOM 1273 N GLN A 76 10.912 4.038 -5.158 1.00 0.00 N ATOM 1274 CA GLN A 76 12.363 3.908 -5.079 1.00 0.00 C ATOM 1275 C GLN A 76 12.766 2.456 -4.845 1.00 0.00 C ATOM 1276 O GLN A 76 13.795 1.998 -5.341 1.00 0.00 O ATOM 1277 CB GLN A 76 12.914 4.789 -3.956 1.00 0.00 C ATOM 1278 CG GLN A 76 12.540 6.255 -4.094 1.00 0.00 C ATOM 1279 CD GLN A 76 13.445 6.998 -5.058 1.00 0.00 C ATOM 1280 OE1 GLN A 76 13.685 6.544 -6.177 1.00 0.00 O ATOM 1281 NE2 GLN A 76 13.951 8.147 -4.627 1.00 0.00 N ATOM 0 H GLN A 76 10.493 4.577 -4.400 1.00 0.00 H new ATOM 0 HA GLN A 76 12.785 4.236 -6.029 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.546 4.417 -3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 76 14.000 4.700 -3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.508 6.332 -4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.588 6.732 -3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.725 8.485 -3.692 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.566 8.692 -5.231 1.00 0.00 H new ATOM 1290 N LEU A 77 11.945 1.735 -4.089 1.00 0.00 N ATOM 1291 CA LEU A 77 12.213 0.333 -3.790 1.00 0.00 C ATOM 1292 C LEU A 77 11.768 -0.561 -4.943 1.00 0.00 C ATOM 1293 O LEU A 77 12.377 -1.596 -5.210 1.00 0.00 O ATOM 1294 CB LEU A 77 11.499 -0.082 -2.503 1.00 0.00 C ATOM 1295 CG LEU A 77 12.058 0.542 -1.223 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.941 0.796 -0.221 1.00 0.00 C ATOM 1297 CD2 LEU A 77 13.126 -0.355 -0.616 1.00 0.00 C ATOM 0 H LEU A 77 11.088 2.099 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 77 13.288 0.215 -3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.445 0.183 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.548 -1.167 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 77 12.515 1.498 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.357 1.240 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.210 1.477 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.455 -0.147 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.513 0.104 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.693 -1.326 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.939 -0.487 -1.330 1.00 0.00 H new ATOM 1398 N ARG B 103 -6.121 7.050 6.988 1.00 0.00 N ATOM 1399 CA ARG B 103 -7.527 7.107 6.609 1.00 0.00 C ATOM 1400 C ARG B 103 -7.858 6.029 5.580 1.00 0.00 C ATOM 1401 O ARG B 103 -8.827 5.285 5.735 1.00 0.00 O ATOM 1402 CB ARG B 103 -7.870 8.487 6.044 1.00 0.00 C ATOM 1403 CG ARG B 103 -9.296 8.927 6.338 1.00 0.00 C ATOM 1404 CD ARG B 103 -9.367 10.413 6.650 1.00 0.00 C ATOM 1405 NE ARG B 103 -8.888 10.714 7.997 1.00 0.00 N ATOM 1406 CZ ARG B 103 -9.596 10.495 9.103 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -10.815 9.975 9.027 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -9.085 10.796 10.290 1.00 0.00 N ATOM 0 HA ARG B 103 -8.125 6.928 7.503 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.179 9.222 6.457 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -7.717 8.477 4.965 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -9.931 8.703 5.481 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -9.687 8.358 7.181 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -8.772 10.965 5.922 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -10.396 10.756 6.546 1.00 0.00 H new ATOM 0 HE ARG B 103 -7.956 11.116 8.096 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -11.214 9.741 8.118 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -11.353 9.809 9.878 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -8.149 11.196 10.356 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -9.628 10.628 11.137 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.045 5.949 4.531 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.250 4.961 3.477 1.00 0.00 C ATOM 1424 C TYR B 104 -6.878 3.564 3.965 1.00 0.00 C ATOM 1425 O TYR B 104 -7.676 2.630 3.870 1.00 0.00 O ATOM 1426 CB TYR B 104 -6.421 5.324 2.243 1.00 0.00 C ATOM 1427 CG TYR B 104 -7.219 6.019 1.161 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -7.961 5.287 0.242 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -7.229 7.403 1.060 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -8.691 5.919 -0.748 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -7.956 8.042 0.073 1.00 0.00 C ATOM 1432 CZ TYR B 104 -8.685 7.295 -0.828 1.00 0.00 C ATOM 1433 OH TYR B 104 -9.410 7.927 -1.812 1.00 0.00 O ATOM 0 H TYR B 104 -6.238 6.556 4.388 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.306 4.962 3.208 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -5.597 5.969 2.546 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -5.980 4.416 1.832 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -7.968 4.209 0.302 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -6.659 7.991 1.764 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -9.263 5.337 -1.455 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -7.953 9.120 0.008 1.00 0.00 H new ATOM 0 HH TYR B 104 -9.299 8.897 -1.728 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.662 3.429 4.484 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.182 2.146 4.986 1.00 0.00 C ATOM 1445 C LEU B 105 -6.112 1.602 6.067 1.00 0.00 C ATOM 1446 O LEU B 105 -6.562 0.459 5.996 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.763 2.292 5.539 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.651 1.831 4.595 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.770 0.342 4.315 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -2.692 2.626 3.300 1.00 0.00 C ATOM 0 H LEU B 105 -4.991 4.192 4.568 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.170 1.439 4.156 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.594 3.339 5.792 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.690 1.724 6.467 1.00 0.00 H new ATOM 0 HG LEU B 105 -1.691 2.010 5.079 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.970 0.033 3.642 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -2.691 -0.212 5.251 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -3.735 0.135 3.852 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.895 2.286 2.639 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -3.655 2.478 2.812 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -2.555 3.685 3.519 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.396 2.429 7.067 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.271 2.032 8.164 1.00 0.00 C ATOM 1464 C ARG B 106 -8.669 1.695 7.652 1.00 0.00 C ATOM 1465 O ARG B 106 -9.351 0.832 8.204 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.351 3.145 9.209 1.00 0.00 C ATOM 1467 CG ARG B 106 -7.836 4.473 8.647 1.00 0.00 C ATOM 1468 CD ARG B 106 -9.292 4.731 9.003 1.00 0.00 C ATOM 1469 NE ARG B 106 -9.486 4.869 10.444 1.00 0.00 N ATOM 1470 CZ ARG B 106 -10.555 5.438 10.996 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -11.528 5.921 10.233 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -10.652 5.524 12.316 1.00 0.00 N ATOM 0 H ARG B 106 -6.033 3.379 7.141 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.850 1.140 8.627 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -8.021 2.833 10.010 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -6.366 3.286 9.654 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -7.217 5.281 9.035 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -7.720 4.475 7.563 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -9.633 5.638 8.503 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -9.907 3.912 8.631 1.00 0.00 H new ATOM 0 HE ARG B 106 -8.760 4.508 11.063 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -11.459 5.857 9.217 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -12.345 6.356 10.662 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -9.908 5.154 12.907 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -11.471 5.960 12.740 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.092 2.383 6.597 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.410 2.154 6.015 1.00 0.00 C ATOM 1488 C GLU B 107 -10.556 0.709 5.547 1.00 0.00 C ATOM 1489 O GLU B 107 -11.452 -0.008 5.991 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.650 3.114 4.847 1.00 0.00 C ATOM 1491 CG GLU B 107 -11.658 4.210 5.160 1.00 0.00 C ATOM 1492 CD GLU B 107 -11.469 5.444 4.299 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -10.395 5.572 3.673 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -12.393 6.282 4.252 1.00 0.00 O ATOM 0 H GLU B 107 -8.542 3.103 6.128 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.158 2.341 6.786 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -9.703 3.573 4.563 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -10.999 2.545 3.985 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -12.666 3.822 5.015 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -11.571 4.488 6.210 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.669 0.289 4.652 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.700 -1.072 4.129 1.00 0.00 C ATOM 1503 C ALA B 108 -9.232 -2.073 5.181 1.00 0.00 C ATOM 1504 O ALA B 108 -9.830 -3.135 5.355 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.839 -1.176 2.879 1.00 0.00 C ATOM 0 H ALA B 108 -8.921 0.870 4.274 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.731 -1.313 3.868 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -8.871 -2.197 2.499 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.218 -0.494 2.118 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.810 -0.912 3.123 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.157 -1.723 5.879 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.600 -2.583 6.917 1.00 0.00 C ATOM 1513 C ILE B 109 -8.633 -2.869 8.006 1.00 0.00 C ATOM 1514 O ILE B 109 -8.931 -4.026 8.307 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.342 -1.942 7.547 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.193 -1.931 6.538 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -5.925 -2.680 8.814 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -3.975 -1.171 7.017 1.00 0.00 C ATOM 0 H ILE B 109 -7.653 -0.847 5.744 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.318 -3.525 6.446 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.585 -0.915 7.819 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.906 -2.959 6.316 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.543 -1.489 5.605 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.038 -2.207 9.235 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.736 -2.642 9.541 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.702 -3.719 8.573 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.200 -1.205 6.251 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.247 -0.134 7.212 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.599 -1.626 7.933 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.180 -1.809 8.595 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.176 -1.958 9.647 1.00 0.00 C ATOM 1532 C GLN B 110 -11.441 -2.605 9.103 1.00 0.00 C ATOM 1533 O GLN B 110 -12.104 -3.374 9.799 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.505 -0.602 10.274 1.00 0.00 C ATOM 1535 CG GLN B 110 -10.990 -0.699 11.712 1.00 0.00 C ATOM 1536 CD GLN B 110 -12.395 -0.158 11.892 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -13.377 -0.825 11.564 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -12.498 1.058 12.418 1.00 0.00 N ATOM 0 H GLN B 110 -8.951 -0.843 8.362 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.759 -2.606 10.418 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -9.617 0.030 10.240 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.270 -0.109 9.674 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -10.962 -1.741 12.031 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -10.307 -0.149 12.360 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -11.657 1.575 12.675 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -13.418 1.474 12.564 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.764 -2.305 7.850 1.00 0.00 N ATOM 1548 CA GLU B 111 -12.946 -2.878 7.218 1.00 0.00 C ATOM 1549 C GLU B 111 -12.873 -4.396 7.273 1.00 0.00 C ATOM 1550 O GLU B 111 -13.866 -5.070 7.541 1.00 0.00 O ATOM 1551 CB GLU B 111 -13.066 -2.403 5.769 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.046 -1.255 5.586 1.00 0.00 C ATOM 1553 CD GLU B 111 -15.457 -1.733 5.301 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -16.159 -2.113 6.260 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -15.858 -1.727 4.118 1.00 0.00 O ATOM 0 H GLU B 111 -11.228 -1.673 7.255 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.831 -2.544 7.760 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.083 -2.091 5.415 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -13.379 -3.240 5.145 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.050 -0.638 6.485 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -13.708 -0.621 4.766 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.677 -4.925 7.042 1.00 0.00 N ATOM 1563 CA TYR B 112 -11.463 -6.360 7.089 1.00 0.00 C ATOM 1564 C TYR B 112 -11.510 -6.837 8.531 1.00 0.00 C ATOM 1565 O TYR B 112 -11.988 -7.935 8.818 1.00 0.00 O ATOM 1566 CB TYR B 112 -10.124 -6.730 6.448 1.00 0.00 C ATOM 1567 CG TYR B 112 -10.088 -8.134 5.884 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -11.152 -8.632 5.141 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.990 -8.960 6.092 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -11.122 -9.913 4.624 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.954 -10.241 5.577 1.00 0.00 C ATOM 1572 CZ TYR B 112 -10.021 -10.713 4.845 1.00 0.00 C ATOM 1573 OH TYR B 112 -9.988 -11.989 4.331 1.00 0.00 O ATOM 0 H TYR B 112 -10.844 -4.380 6.821 1.00 0.00 H new ATOM 0 HA TYR B 112 -12.255 -6.852 6.524 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.905 -6.021 5.649 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -9.334 -6.626 7.192 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -12.016 -8.008 4.965 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -8.151 -8.594 6.666 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -11.957 -10.286 4.049 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -8.093 -10.870 5.748 1.00 0.00 H new ATOM 0 HH TYR B 112 -9.475 -11.992 3.496 1.00 0.00 H new ATOM 1583 N ASP B 113 -11.029 -5.996 9.444 1.00 0.00 N ATOM 1584 CA ASP B 113 -11.044 -6.334 10.859 1.00 0.00 C ATOM 1585 C ASP B 113 -12.478 -6.575 11.317 1.00 0.00 C ATOM 1586 O ASP B 113 -12.734 -7.392 12.199 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.409 -5.215 11.685 1.00 0.00 C ATOM 1588 CG ASP B 113 -8.938 -5.462 11.959 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -8.623 -6.419 12.697 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -8.100 -4.698 11.435 1.00 0.00 O ATOM 0 H ASP B 113 -10.628 -5.083 9.229 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.463 -7.244 11.008 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -10.524 -4.268 11.158 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -10.941 -5.119 12.632 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.413 -5.856 10.696 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.825 -5.991 11.023 1.00 0.00 C ATOM 1597 C ASN B 114 -15.437 -7.189 10.304 1.00 0.00 C ATOM 1598 O ASN B 114 -16.327 -7.855 10.835 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.581 -4.715 10.652 1.00 0.00 C ATOM 1600 CG ASN B 114 -14.991 -3.482 11.309 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -13.890 -3.525 11.858 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -15.722 -2.376 11.256 1.00 0.00 N ATOM 0 H ASN B 114 -13.214 -5.175 9.964 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.910 -6.154 12.097 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -15.566 -4.589 9.569 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -16.625 -4.816 10.947 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -15.377 -1.515 11.681 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -16.629 -2.386 10.790 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.959 -7.458 9.091 1.00 0.00 N ATOM 1610 CA ILE B 115 -15.462 -8.575 8.304 1.00 0.00 C ATOM 1611 C ILE B 115 -14.782 -9.878 8.708 1.00 0.00 C ATOM 1612 O ILE B 115 -15.408 -10.765 9.288 1.00 0.00 O ATOM 1613 CB ILE B 115 -15.254 -8.333 6.796 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -15.749 -6.939 6.403 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -15.973 -9.397 5.987 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -14.939 -6.300 5.298 1.00 0.00 C ATOM 0 H ILE B 115 -14.225 -6.917 8.635 1.00 0.00 H new ATOM 0 HA ILE B 115 -16.531 -8.655 8.503 1.00 0.00 H new ATOM 0 HB ILE B 115 -14.187 -8.393 6.580 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -16.790 -7.008 6.086 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -15.725 -6.293 7.281 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -15.817 -9.213 4.924 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -15.579 -10.380 6.247 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -17.040 -9.363 6.208 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -15.346 -5.315 5.071 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -13.902 -6.199 5.619 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -14.984 -6.925 4.406 1.00 0.00 H new