USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 999 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 121 SER OG : rot 54:sc= 0.593 USER MOD Set 1.2: A 123 HIS :FLIP no HD1:sc= -0.377 F(o=-1.1,f=0.22) USER MOD Set 2.1: A 71 MET CE :methyl -157:sc= -0.0707 (180deg=-0.556) USER MOD Set 2.2: A 87 CYS SG : rot 180:sc= -1.66 USER MOD Single : A 1 MET CE :methyl -146:sc= -0.235 (180deg=-1.07) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.0785 (180deg=-0.193) USER MOD Single : A 2 SER OG : rot -77:sc= 1.23 USER MOD Single : A 4 GLN : amide:sc= -0.478 K(o=-0.48,f=-1.8!) USER MOD Single : A 5 HIS : no HE2:sc= 0.816 K(o=0.82,f=-2.6!) USER MOD Single : A 12 HIS : no HE2:sc= 0.965 K(o=0.96,f=-4.1!) USER MOD Single : A 20 SER OG : rot -110:sc= -0.132 USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.0357 X(o=-0.036,f=-0.51) USER MOD Single : A 37 SER OG : rot 180:sc= -0.613 USER MOD Single : A 39 HIS : no HD1:sc= -0.259 K(o=-0.26,f=-5.5!) USER MOD Single : A 45 GLN : amide:sc= -0.934 X(o=-0.93,f=-1.2) USER MOD Single : A 47 GLN : amide:sc= -0.0341 K(o=-0.034,f=-1.3) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.029) USER MOD Single : A 54 GLN : amide:sc= 0.176 K(o=0.18,f=-0.62) USER MOD Single : A 62 TYR OH : rot 41:sc= 0.826 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -1 F(o=-1.8,f=-1) USER MOD Single : A 89 HIS :FLIP no HE2:sc= 0.0567 F(o=-0.5,f=0.057) USER MOD Single : A 94 SER OG : rot 173:sc= 0.107 USER MOD Single : A 96 SER OG : rot -4:sc= -0.837 USER MOD Single : A 97 HIS : no HD1:sc= -0.147 K(o=-0.15,f=-0.91) USER MOD Single : A 105 ASN : amide:sc=-0.00398 K(o=-0.004,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.402 10.950 -42.525 1.00 0.00 N ATOM 2 CA MET A 1 8.665 9.684 -42.734 1.00 0.00 C ATOM 3 C MET A 1 9.552 8.664 -43.434 1.00 0.00 C ATOM 4 O MET A 1 10.668 8.978 -43.846 1.00 0.00 O ATOM 5 CB MET A 1 7.419 9.928 -43.590 1.00 0.00 C ATOM 6 CG MET A 1 6.416 10.885 -42.975 1.00 0.00 C ATOM 7 SD MET A 1 5.016 11.192 -44.066 1.00 0.00 S ATOM 8 CE MET A 1 5.849 11.874 -45.501 1.00 0.00 C ATOM 0 H1 MET A 1 9.264 11.274 -41.547 1.00 0.00 H new ATOM 0 H2 MET A 1 10.416 10.794 -42.699 1.00 0.00 H new ATOM 0 H3 MET A 1 9.045 11.672 -43.183 1.00 0.00 H new ATOM 0 HA MET A 1 8.368 9.300 -41.758 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.729 10.319 -44.559 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.927 8.973 -43.774 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.056 10.475 -42.031 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.910 11.829 -42.745 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.213 12.626 -45.967 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.788 12.333 -45.192 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.053 11.077 -46.216 1.00 0.00 H new ATOM 18 N SER A 2 9.051 7.445 -43.565 1.00 0.00 N ATOM 19 CA SER A 2 9.745 6.405 -44.310 1.00 0.00 C ATOM 20 C SER A 2 8.736 5.392 -44.838 1.00 0.00 C ATOM 21 O SER A 2 8.348 5.435 -46.006 1.00 0.00 O ATOM 22 CB SER A 2 10.789 5.710 -43.427 1.00 0.00 C ATOM 23 OG SER A 2 11.568 4.789 -44.175 1.00 0.00 O ATOM 0 H SER A 2 8.161 7.150 -43.163 1.00 0.00 H new ATOM 0 HA SER A 2 10.265 6.863 -45.151 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.441 6.457 -42.975 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.289 5.188 -42.611 1.00 0.00 H new ATOM 0 HG SER A 2 11.049 3.973 -44.331 1.00 0.00 H new ATOM 29 N ASP A 3 8.298 4.509 -43.955 1.00 0.00 N ATOM 30 CA ASP A 3 7.321 3.481 -44.284 1.00 0.00 C ATOM 31 C ASP A 3 6.684 2.974 -42.995 1.00 0.00 C ATOM 32 O ASP A 3 5.547 3.328 -42.679 1.00 0.00 O ATOM 33 CB ASP A 3 7.962 2.334 -45.091 1.00 0.00 C ATOM 34 CG ASP A 3 9.286 1.860 -44.520 1.00 0.00 C ATOM 35 OD1 ASP A 3 9.298 0.858 -43.776 1.00 0.00 O ATOM 36 OD2 ASP A 3 10.323 2.494 -44.808 1.00 0.00 O ATOM 0 H ASP A 3 8.611 4.484 -42.985 1.00 0.00 H new ATOM 0 HA ASP A 3 6.546 3.910 -44.919 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.269 1.494 -45.127 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.116 2.664 -46.118 1.00 0.00 H new ATOM 41 N GLN A 4 7.427 2.167 -42.250 1.00 0.00 N ATOM 42 CA GLN A 4 7.055 1.819 -40.889 1.00 0.00 C ATOM 43 C GLN A 4 7.829 2.717 -39.934 1.00 0.00 C ATOM 44 O GLN A 4 8.623 3.550 -40.379 1.00 0.00 O ATOM 45 CB GLN A 4 7.329 0.328 -40.611 1.00 0.00 C ATOM 46 CG GLN A 4 8.766 -0.115 -40.874 1.00 0.00 C ATOM 47 CD GLN A 4 9.700 0.138 -39.704 1.00 0.00 C ATOM 48 OE1 GLN A 4 9.285 0.106 -38.544 1.00 0.00 O ATOM 49 NE2 GLN A 4 10.959 0.411 -40.001 1.00 0.00 N ATOM 0 H GLN A 4 8.296 1.740 -42.570 1.00 0.00 H new ATOM 0 HA GLN A 4 5.986 1.976 -40.743 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.082 0.115 -39.571 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.659 -0.272 -41.227 1.00 0.00 H new ATOM 0 HG2 GLN A 4 8.773 -1.179 -41.111 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.145 0.409 -41.751 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.261 0.427 -40.975 1.00 0.00 H new ATOM 0 HE22 GLN A 4 11.628 0.605 -39.256 1.00 0.00 H new ATOM 58 N HIS A 5 7.606 2.567 -38.636 1.00 0.00 N ATOM 59 CA HIS A 5 8.301 3.398 -37.659 1.00 0.00 C ATOM 60 C HIS A 5 8.166 2.827 -36.254 1.00 0.00 C ATOM 61 O HIS A 5 7.202 2.119 -35.953 1.00 0.00 O ATOM 62 CB HIS A 5 7.756 4.836 -37.678 1.00 0.00 C ATOM 63 CG HIS A 5 6.335 4.957 -37.212 1.00 0.00 C ATOM 64 ND1 HIS A 5 5.993 5.258 -35.910 1.00 0.00 N ATOM 65 CD2 HIS A 5 5.165 4.811 -37.880 1.00 0.00 C ATOM 66 CE1 HIS A 5 4.678 5.292 -35.798 1.00 0.00 C ATOM 67 NE2 HIS A 5 4.153 5.027 -36.979 1.00 0.00 N ATOM 0 H HIS A 5 6.958 1.887 -38.237 1.00 0.00 H new ATOM 0 HA HIS A 5 9.355 3.409 -37.935 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.388 5.462 -37.048 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.829 5.228 -38.692 1.00 0.00 H new ATOM 0 HD1 HIS A 5 6.654 5.428 -35.152 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.050 4.570 -38.926 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.126 5.501 -34.894 1.00 0.00 H new ATOM 76 N ASP A 6 9.137 3.139 -35.406 1.00 0.00 N ATOM 77 CA ASP A 6 9.041 2.830 -33.985 1.00 0.00 C ATOM 78 C ASP A 6 8.052 3.776 -33.325 1.00 0.00 C ATOM 79 O ASP A 6 7.861 4.909 -33.783 1.00 0.00 O ATOM 80 CB ASP A 6 10.397 2.974 -33.286 1.00 0.00 C ATOM 81 CG ASP A 6 11.412 1.935 -33.713 1.00 0.00 C ATOM 82 OD1 ASP A 6 12.234 2.236 -34.605 1.00 0.00 O ATOM 83 OD2 ASP A 6 11.410 0.825 -33.140 1.00 0.00 O ATOM 0 H ASP A 6 10.002 3.607 -35.678 1.00 0.00 H new ATOM 0 HA ASP A 6 8.707 1.797 -33.891 1.00 0.00 H new ATOM 0 HB2 ASP A 6 10.798 3.967 -33.490 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.250 2.905 -32.208 1.00 0.00 H new ATOM 88 N GLU A 7 7.419 3.319 -32.261 1.00 0.00 N ATOM 89 CA GLU A 7 6.520 4.163 -31.497 1.00 0.00 C ATOM 90 C GLU A 7 7.275 4.796 -30.336 1.00 0.00 C ATOM 91 O GLU A 7 7.874 4.100 -29.518 1.00 0.00 O ATOM 92 CB GLU A 7 5.325 3.357 -30.991 1.00 0.00 C ATOM 93 CG GLU A 7 4.296 4.194 -30.248 1.00 0.00 C ATOM 94 CD GLU A 7 3.029 3.422 -29.965 1.00 0.00 C ATOM 95 OE1 GLU A 7 2.070 3.534 -30.757 1.00 0.00 O ATOM 96 OE2 GLU A 7 2.988 2.681 -28.963 1.00 0.00 O ATOM 0 H GLU A 7 7.511 2.367 -31.906 1.00 0.00 H new ATOM 0 HA GLU A 7 6.140 4.954 -32.144 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.842 2.870 -31.838 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.684 2.567 -30.331 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.724 4.543 -29.308 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.056 5.079 -30.837 1.00 0.00 H new ATOM 103 N ARG A 8 7.251 6.116 -30.280 1.00 0.00 N ATOM 104 CA ARG A 8 7.999 6.853 -29.274 1.00 0.00 C ATOM 105 C ARG A 8 7.200 6.936 -27.976 1.00 0.00 C ATOM 106 O ARG A 8 6.428 7.871 -27.759 1.00 0.00 O ATOM 107 CB ARG A 8 8.346 8.247 -29.808 1.00 0.00 C ATOM 108 CG ARG A 8 9.076 8.194 -31.141 1.00 0.00 C ATOM 109 CD ARG A 8 9.261 9.568 -31.761 1.00 0.00 C ATOM 110 NE ARG A 8 9.805 9.466 -33.118 1.00 0.00 N ATOM 111 CZ ARG A 8 9.686 10.411 -34.050 1.00 0.00 C ATOM 112 NH1 ARG A 8 9.076 11.559 -33.763 1.00 0.00 N ATOM 113 NH2 ARG A 8 10.185 10.207 -35.269 1.00 0.00 N ATOM 0 H ARG A 8 6.719 6.703 -30.923 1.00 0.00 H new ATOM 0 HA ARG A 8 8.930 6.329 -29.056 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.430 8.828 -29.921 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.966 8.768 -29.078 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.052 7.730 -30.998 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.519 7.560 -31.831 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.305 10.090 -31.788 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.932 10.163 -31.141 1.00 0.00 H new ATOM 0 HE ARG A 8 10.309 8.614 -33.366 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.699 11.716 -32.828 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.986 12.281 -34.478 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.657 9.329 -35.487 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.095 10.929 -35.984 1.00 0.00 H new ATOM 127 N ARG A 9 7.382 5.938 -27.121 1.00 0.00 N ATOM 128 CA ARG A 9 6.615 5.830 -25.891 1.00 0.00 C ATOM 129 C ARG A 9 7.344 6.505 -24.739 1.00 0.00 C ATOM 130 O ARG A 9 8.308 5.963 -24.201 1.00 0.00 O ATOM 131 CB ARG A 9 6.354 4.358 -25.549 1.00 0.00 C ATOM 132 CG ARG A 9 5.530 3.617 -26.590 1.00 0.00 C ATOM 133 CD ARG A 9 5.347 2.157 -26.214 1.00 0.00 C ATOM 134 NE ARG A 9 4.544 1.432 -27.199 1.00 0.00 N ATOM 135 CZ ARG A 9 4.406 0.106 -27.222 1.00 0.00 C ATOM 136 NH1 ARG A 9 5.020 -0.645 -26.316 1.00 0.00 N ATOM 137 NH2 ARG A 9 3.648 -0.475 -28.146 1.00 0.00 N ATOM 0 H ARG A 9 8.059 5.188 -27.260 1.00 0.00 H new ATOM 0 HA ARG A 9 5.661 6.334 -26.044 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.310 3.849 -25.428 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.841 4.304 -24.589 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.555 4.093 -26.691 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.020 3.686 -27.561 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.324 1.682 -26.122 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.868 2.092 -25.237 1.00 0.00 H new ATOM 0 HE ARG A 9 4.059 1.975 -27.913 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.599 -0.208 -25.599 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.912 -1.659 -26.336 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.168 0.094 -28.843 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.547 -1.490 -28.158 1.00 0.00 H new ATOM 151 N ARG A 10 6.912 7.708 -24.392 1.00 0.00 N ATOM 152 CA ARG A 10 7.459 8.409 -23.236 1.00 0.00 C ATOM 153 C ARG A 10 6.358 8.642 -22.209 1.00 0.00 C ATOM 154 O ARG A 10 5.966 7.719 -21.493 1.00 0.00 O ATOM 155 CB ARG A 10 8.123 9.742 -23.634 1.00 0.00 C ATOM 156 CG ARG A 10 9.507 9.595 -24.261 1.00 0.00 C ATOM 157 CD ARG A 10 9.452 8.878 -25.600 1.00 0.00 C ATOM 158 NE ARG A 10 10.781 8.640 -26.156 1.00 0.00 N ATOM 159 CZ ARG A 10 11.407 7.464 -26.107 1.00 0.00 C ATOM 160 NH1 ARG A 10 10.864 6.438 -25.461 1.00 0.00 N ATOM 161 NH2 ARG A 10 12.583 7.320 -26.701 1.00 0.00 N ATOM 0 H ARG A 10 6.185 8.220 -24.892 1.00 0.00 H new ATOM 0 HA ARG A 10 8.236 7.783 -22.797 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.472 10.262 -24.337 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.204 10.372 -22.748 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.951 10.581 -24.396 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.156 9.044 -23.581 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.935 7.926 -25.479 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.867 9.471 -26.303 1.00 0.00 H new ATOM 0 HE ARG A 10 11.259 9.419 -26.609 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.962 6.547 -24.998 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.349 5.541 -25.428 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.006 8.107 -27.193 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.065 6.422 -26.666 1.00 0.00 H new ATOM 175 N PHE A 11 5.827 9.854 -22.163 1.00 0.00 N ATOM 176 CA PHE A 11 4.735 10.160 -21.255 1.00 0.00 C ATOM 177 C PHE A 11 3.428 9.602 -21.806 1.00 0.00 C ATOM 178 O PHE A 11 3.059 9.868 -22.949 1.00 0.00 O ATOM 179 CB PHE A 11 4.628 11.676 -20.999 1.00 0.00 C ATOM 180 CG PHE A 11 4.536 12.527 -22.241 1.00 0.00 C ATOM 181 CD1 PHE A 11 5.681 12.906 -22.927 1.00 0.00 C ATOM 182 CD2 PHE A 11 3.307 12.961 -22.713 1.00 0.00 C ATOM 183 CE1 PHE A 11 5.599 13.695 -24.060 1.00 0.00 C ATOM 184 CE2 PHE A 11 3.219 13.748 -23.845 1.00 0.00 C ATOM 185 CZ PHE A 11 4.366 14.116 -24.519 1.00 0.00 C ATOM 0 H PHE A 11 6.133 10.637 -22.741 1.00 0.00 H new ATOM 0 HA PHE A 11 4.940 9.684 -20.296 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.749 11.864 -20.382 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.496 11.994 -20.422 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.648 12.581 -22.572 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.406 12.680 -22.188 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.498 13.982 -24.585 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.254 14.075 -24.202 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.300 14.732 -25.404 1.00 0.00 H new ATOM 195 N HIS A 12 2.752 8.797 -21.000 1.00 0.00 N ATOM 196 CA HIS A 12 1.508 8.165 -21.417 1.00 0.00 C ATOM 197 C HIS A 12 0.573 8.004 -20.223 1.00 0.00 C ATOM 198 O HIS A 12 0.370 6.899 -19.723 1.00 0.00 O ATOM 199 CB HIS A 12 1.777 6.811 -22.114 1.00 0.00 C ATOM 200 CG HIS A 12 2.569 5.808 -21.310 1.00 0.00 C ATOM 201 ND1 HIS A 12 3.933 5.898 -21.106 1.00 0.00 N ATOM 202 CD2 HIS A 12 2.175 4.673 -20.677 1.00 0.00 C ATOM 203 CE1 HIS A 12 4.339 4.862 -20.392 1.00 0.00 C ATOM 204 NE2 HIS A 12 3.293 4.108 -20.120 1.00 0.00 N ATOM 0 H HIS A 12 3.045 8.565 -20.051 1.00 0.00 H new ATOM 0 HA HIS A 12 1.019 8.810 -22.146 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.819 6.363 -22.378 1.00 0.00 H new ATOM 0 HB3 HIS A 12 2.308 7.002 -23.047 1.00 0.00 H new ATOM 0 HD1 HIS A 12 4.533 6.647 -21.452 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.168 4.287 -20.622 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.356 4.667 -20.084 1.00 0.00 H new ATOM 213 N ARG A 13 0.027 9.132 -19.765 1.00 0.00 N ATOM 214 CA ARG A 13 -0.797 9.170 -18.552 1.00 0.00 C ATOM 215 C ARG A 13 0.030 8.698 -17.360 1.00 0.00 C ATOM 216 O ARG A 13 1.261 8.646 -17.443 1.00 0.00 O ATOM 217 CB ARG A 13 -2.074 8.326 -18.709 1.00 0.00 C ATOM 218 CG ARG A 13 -3.169 9.010 -19.519 1.00 0.00 C ATOM 219 CD ARG A 13 -2.749 9.231 -20.961 1.00 0.00 C ATOM 220 NE ARG A 13 -3.650 10.136 -21.669 1.00 0.00 N ATOM 221 CZ ARG A 13 -3.261 10.976 -22.628 1.00 0.00 C ATOM 222 NH1 ARG A 13 -1.981 11.059 -22.966 1.00 0.00 N ATOM 223 NH2 ARG A 13 -4.153 11.748 -23.219 1.00 0.00 N ATOM 0 H ARG A 13 0.141 10.038 -20.219 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.116 10.198 -18.380 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.817 7.381 -19.188 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.463 8.086 -17.720 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.074 8.403 -19.493 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.415 9.968 -19.061 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.738 9.637 -20.984 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.719 8.273 -21.479 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.638 10.125 -21.414 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.290 10.478 -22.491 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.688 11.703 -23.701 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.133 11.700 -22.941 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.862 12.393 -23.954 1.00 0.00 H new ATOM 237 N ILE A 14 -0.610 8.370 -16.247 1.00 0.00 N ATOM 238 CA ILE A 14 0.145 7.882 -15.110 1.00 0.00 C ATOM 239 C ILE A 14 0.215 6.367 -15.162 1.00 0.00 C ATOM 240 O ILE A 14 -0.627 5.662 -14.616 1.00 0.00 O ATOM 241 CB ILE A 14 -0.451 8.342 -13.759 1.00 0.00 C ATOM 242 CG1 ILE A 14 -0.511 9.872 -13.699 1.00 0.00 C ATOM 243 CG2 ILE A 14 0.381 7.802 -12.600 1.00 0.00 C ATOM 244 CD1 ILE A 14 0.847 10.534 -13.807 1.00 0.00 C ATOM 0 H ILE A 14 -1.619 8.431 -16.111 1.00 0.00 H new ATOM 0 HA ILE A 14 1.147 8.306 -15.174 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.464 7.948 -13.674 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.148 10.235 -14.505 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.980 10.173 -12.762 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.051 8.134 -11.656 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.387 6.713 -12.633 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.403 8.173 -12.682 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.729 11.616 -13.757 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.481 10.200 -12.986 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.310 10.263 -14.756 1.00 0.00 H new ATOM 256 N ALA A 15 1.238 5.881 -15.834 1.00 0.00 N ATOM 257 CA ALA A 15 1.443 4.459 -15.996 1.00 0.00 C ATOM 258 C ALA A 15 2.920 4.174 -16.139 1.00 0.00 C ATOM 259 O ALA A 15 3.519 4.428 -17.184 1.00 0.00 O ATOM 260 CB ALA A 15 0.680 3.933 -17.202 1.00 0.00 C ATOM 0 H ALA A 15 1.948 6.460 -16.282 1.00 0.00 H new ATOM 0 HA ALA A 15 1.062 3.947 -15.112 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.851 2.861 -17.302 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.386 4.120 -17.068 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.027 4.441 -18.102 1.00 0.00 H new ATOM 266 N PHE A 16 3.513 3.689 -15.072 1.00 0.00 N ATOM 267 CA PHE A 16 4.923 3.360 -15.079 1.00 0.00 C ATOM 268 C PHE A 16 5.092 1.942 -15.595 1.00 0.00 C ATOM 269 O PHE A 16 4.132 1.168 -15.605 1.00 0.00 O ATOM 270 CB PHE A 16 5.505 3.476 -13.667 1.00 0.00 C ATOM 271 CG PHE A 16 4.832 4.515 -12.814 1.00 0.00 C ATOM 272 CD1 PHE A 16 4.990 5.869 -13.070 1.00 0.00 C ATOM 273 CD2 PHE A 16 4.041 4.128 -11.746 1.00 0.00 C ATOM 274 CE1 PHE A 16 4.368 6.813 -12.276 1.00 0.00 C ATOM 275 CE2 PHE A 16 3.418 5.066 -10.951 1.00 0.00 C ATOM 276 CZ PHE A 16 3.582 6.411 -11.215 1.00 0.00 C ATOM 0 H PHE A 16 3.041 3.513 -14.185 1.00 0.00 H new ATOM 0 HA PHE A 16 5.456 4.056 -15.727 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.427 2.508 -13.172 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.567 3.712 -13.740 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.605 6.188 -13.898 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.910 3.077 -11.533 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.497 7.865 -12.485 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.802 4.749 -10.122 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.096 7.148 -10.592 1.00 0.00 H new ATOM 286 N ASP A 17 6.286 1.591 -16.034 1.00 0.00 N ATOM 287 CA ASP A 17 6.536 0.219 -16.429 1.00 0.00 C ATOM 288 C ASP A 17 6.836 -0.591 -15.179 1.00 0.00 C ATOM 289 O ASP A 17 7.991 -0.753 -14.784 1.00 0.00 O ATOM 290 CB ASP A 17 7.683 0.115 -17.433 1.00 0.00 C ATOM 291 CG ASP A 17 7.814 -1.285 -18.000 1.00 0.00 C ATOM 292 OD1 ASP A 17 8.638 -2.069 -17.485 1.00 0.00 O ATOM 293 OD2 ASP A 17 7.090 -1.609 -18.965 1.00 0.00 O ATOM 0 H ASP A 17 7.082 2.222 -16.125 1.00 0.00 H new ATOM 0 HA ASP A 17 5.651 -0.175 -16.929 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.519 0.822 -18.246 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.617 0.399 -16.948 1.00 0.00 H new ATOM 298 N ALA A 18 5.776 -1.036 -14.527 1.00 0.00 N ATOM 299 CA ALA A 18 5.889 -1.716 -13.254 1.00 0.00 C ATOM 300 C ALA A 18 5.004 -2.950 -13.227 1.00 0.00 C ATOM 301 O ALA A 18 3.923 -2.959 -13.817 1.00 0.00 O ATOM 302 CB ALA A 18 5.504 -0.772 -12.121 1.00 0.00 C ATOM 0 H ALA A 18 4.819 -0.936 -14.865 1.00 0.00 H new ATOM 0 HA ALA A 18 6.924 -2.030 -13.120 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.592 -1.293 -11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.169 0.092 -12.125 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.475 -0.439 -12.259 1.00 0.00 H new ATOM 308 N ASP A 19 5.471 -3.985 -12.547 1.00 0.00 N ATOM 309 CA ASP A 19 4.695 -5.203 -12.384 1.00 0.00 C ATOM 310 C ASP A 19 3.492 -4.909 -11.502 1.00 0.00 C ATOM 311 O ASP A 19 3.646 -4.462 -10.365 1.00 0.00 O ATOM 312 CB ASP A 19 5.555 -6.308 -11.763 1.00 0.00 C ATOM 313 CG ASP A 19 6.815 -6.584 -12.560 1.00 0.00 C ATOM 314 OD1 ASP A 19 6.794 -7.463 -13.444 1.00 0.00 O ATOM 315 OD2 ASP A 19 7.843 -5.918 -12.306 1.00 0.00 O ATOM 0 H ASP A 19 6.387 -4.005 -12.098 1.00 0.00 H new ATOM 0 HA ASP A 19 4.355 -5.549 -13.360 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.828 -6.023 -10.747 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.967 -7.223 -11.691 1.00 0.00 H new ATOM 320 N SER A 20 2.302 -5.121 -12.035 1.00 0.00 N ATOM 321 CA SER A 20 1.081 -4.797 -11.319 1.00 0.00 C ATOM 322 C SER A 20 0.310 -6.063 -10.962 1.00 0.00 C ATOM 323 O SER A 20 -0.239 -6.737 -11.837 1.00 0.00 O ATOM 324 CB SER A 20 0.217 -3.868 -12.176 1.00 0.00 C ATOM 325 OG SER A 20 0.974 -2.756 -12.631 1.00 0.00 O ATOM 0 H SER A 20 2.155 -5.517 -12.963 1.00 0.00 H new ATOM 0 HA SER A 20 1.341 -4.290 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.180 -4.417 -13.029 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.637 -3.520 -11.596 1.00 0.00 H new ATOM 0 HG SER A 20 0.667 -1.943 -12.178 1.00 0.00 H new ATOM 331 N GLU A 21 0.289 -6.399 -9.680 1.00 0.00 N ATOM 332 CA GLU A 21 -0.438 -7.573 -9.225 1.00 0.00 C ATOM 333 C GLU A 21 -1.646 -7.181 -8.390 1.00 0.00 C ATOM 334 O GLU A 21 -1.522 -6.476 -7.386 1.00 0.00 O ATOM 335 CB GLU A 21 0.462 -8.497 -8.403 1.00 0.00 C ATOM 336 CG GLU A 21 1.710 -8.949 -9.139 1.00 0.00 C ATOM 337 CD GLU A 21 2.391 -10.123 -8.462 1.00 0.00 C ATOM 338 OE1 GLU A 21 3.215 -9.902 -7.548 1.00 0.00 O ATOM 339 OE2 GLU A 21 2.107 -11.280 -8.840 1.00 0.00 O ATOM 0 H GLU A 21 0.764 -5.879 -8.942 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.776 -8.104 -10.115 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.757 -7.982 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.111 -9.375 -8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.446 -9.226 -10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.410 -8.116 -9.206 1.00 0.00 H new ATOM 346 N ILE A 22 -2.814 -7.631 -8.821 1.00 0.00 N ATOM 347 CA ILE A 22 -4.028 -7.470 -8.041 1.00 0.00 C ATOM 348 C ILE A 22 -4.282 -8.751 -7.258 1.00 0.00 C ATOM 349 O ILE A 22 -4.528 -9.810 -7.836 1.00 0.00 O ATOM 350 CB ILE A 22 -5.262 -7.123 -8.923 1.00 0.00 C ATOM 351 CG1 ILE A 22 -5.245 -5.645 -9.339 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.561 -7.436 -8.190 1.00 0.00 C ATOM 353 CD1 ILE A 22 -4.110 -5.267 -10.263 1.00 0.00 C ATOM 0 H ILE A 22 -2.946 -8.112 -9.711 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.885 -6.630 -7.361 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.206 -7.740 -9.820 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.190 -5.407 -9.828 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.187 -5.029 -8.442 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.408 -7.185 -8.828 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.594 -8.498 -7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.611 -6.850 -7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.176 -4.206 -10.505 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.158 -5.469 -9.772 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.176 -5.853 -11.180 1.00 0.00 H new ATOM 365 N LEU A 23 -4.182 -8.658 -5.946 1.00 0.00 N ATOM 366 CA LEU A 23 -4.312 -9.824 -5.091 1.00 0.00 C ATOM 367 C LEU A 23 -5.740 -9.966 -4.593 1.00 0.00 C ATOM 368 O LEU A 23 -6.382 -8.977 -4.236 1.00 0.00 O ATOM 369 CB LEU A 23 -3.369 -9.718 -3.889 1.00 0.00 C ATOM 370 CG LEU A 23 -1.911 -9.375 -4.213 1.00 0.00 C ATOM 371 CD1 LEU A 23 -1.095 -9.289 -2.932 1.00 0.00 C ATOM 372 CD2 LEU A 23 -1.313 -10.403 -5.158 1.00 0.00 C ATOM 0 H LEU A 23 -4.011 -7.785 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.048 -10.701 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.759 -8.959 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.389 -10.666 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.886 -8.405 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.061 -9.045 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.509 -8.513 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.129 -10.247 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.278 -10.140 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.347 -11.388 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.884 -10.420 -6.086 1.00 0.00 H new ATOM 384 N GLN A 24 -6.232 -11.191 -4.593 1.00 0.00 N ATOM 385 CA GLN A 24 -7.501 -11.501 -3.964 1.00 0.00 C ATOM 386 C GLN A 24 -7.255 -12.456 -2.809 1.00 0.00 C ATOM 387 O GLN A 24 -7.407 -13.674 -2.946 1.00 0.00 O ATOM 388 CB GLN A 24 -8.491 -12.112 -4.958 1.00 0.00 C ATOM 389 CG GLN A 24 -9.876 -12.337 -4.367 1.00 0.00 C ATOM 390 CD GLN A 24 -10.834 -13.024 -5.323 1.00 0.00 C ATOM 391 OE1 GLN A 24 -10.662 -12.795 -6.616 1.00 0.00 O flip ATOM 392 NE2 GLN A 24 -11.727 -13.756 -4.900 1.00 0.00 N flip ATOM 0 H GLN A 24 -5.769 -11.991 -5.024 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.945 -10.575 -3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.576 -11.457 -5.825 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.097 -13.064 -5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.784 -12.938 -3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.297 -11.376 -4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.829 -13.909 -3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.366 -14.210 -5.552 1.00 0.00 H new ATOM 401 N GLY A 25 -6.804 -11.902 -1.695 1.00 0.00 N ATOM 402 CA GLY A 25 -6.525 -12.700 -0.525 1.00 0.00 C ATOM 403 C GLY A 25 -5.252 -13.508 -0.668 1.00 0.00 C ATOM 404 O GLY A 25 -4.182 -13.081 -0.237 1.00 0.00 O ATOM 0 H GLY A 25 -6.625 -10.904 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.443 -12.048 0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.361 -13.374 -0.340 1.00 0.00 H new ATOM 408 N GLU A 26 -5.368 -14.663 -1.309 1.00 0.00 N ATOM 409 CA GLU A 26 -4.258 -15.600 -1.422 1.00 0.00 C ATOM 410 C GLU A 26 -3.842 -15.811 -2.876 1.00 0.00 C ATOM 411 O GLU A 26 -2.859 -16.496 -3.153 1.00 0.00 O ATOM 412 CB GLU A 26 -4.661 -16.937 -0.798 1.00 0.00 C ATOM 413 CG GLU A 26 -5.968 -17.489 -1.350 1.00 0.00 C ATOM 414 CD GLU A 26 -6.395 -18.770 -0.671 1.00 0.00 C ATOM 415 OE1 GLU A 26 -6.936 -18.699 0.451 1.00 0.00 O ATOM 416 OE2 GLU A 26 -6.185 -19.853 -1.253 1.00 0.00 O ATOM 0 H GLU A 26 -6.227 -14.975 -1.762 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.403 -15.181 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.867 -17.664 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.754 -16.813 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.752 -16.741 -1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.858 -17.669 -2.419 1.00 0.00 H new ATOM 423 N ARG A 27 -4.591 -15.232 -3.805 1.00 0.00 N ATOM 424 CA ARG A 27 -4.318 -15.428 -5.225 1.00 0.00 C ATOM 425 C ARG A 27 -3.881 -14.120 -5.869 1.00 0.00 C ATOM 426 O ARG A 27 -4.267 -13.042 -5.416 1.00 0.00 O ATOM 427 CB ARG A 27 -5.549 -16.002 -5.930 1.00 0.00 C ATOM 428 CG ARG A 27 -6.048 -17.292 -5.296 1.00 0.00 C ATOM 429 CD ARG A 27 -4.963 -18.360 -5.274 1.00 0.00 C ATOM 430 NE ARG A 27 -5.186 -19.340 -4.213 1.00 0.00 N ATOM 431 CZ ARG A 27 -4.489 -20.466 -4.067 1.00 0.00 C ATOM 432 NH1 ARG A 27 -3.570 -20.814 -4.960 1.00 0.00 N ATOM 433 NH2 ARG A 27 -4.725 -21.241 -3.021 1.00 0.00 N ATOM 0 H ARG A 27 -5.387 -14.627 -3.605 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.503 -16.144 -5.328 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.349 -15.262 -5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.308 -16.187 -6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.384 -17.092 -4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.911 -17.661 -5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.934 -18.868 -6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.991 -17.887 -5.134 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.926 -19.149 -3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.392 -20.217 -5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.042 -21.678 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.434 -20.974 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.198 -22.106 -2.898 1.00 0.00 H new ATOM 447 N ARG A 28 -3.088 -14.216 -6.929 1.00 0.00 N ATOM 448 CA ARG A 28 -2.466 -13.039 -7.517 1.00 0.00 C ATOM 449 C ARG A 28 -2.777 -12.918 -9.008 1.00 0.00 C ATOM 450 O ARG A 28 -2.598 -13.863 -9.777 1.00 0.00 O ATOM 451 CB ARG A 28 -0.949 -13.080 -7.278 1.00 0.00 C ATOM 452 CG ARG A 28 -0.250 -14.283 -7.897 1.00 0.00 C ATOM 453 CD ARG A 28 1.072 -14.588 -7.208 1.00 0.00 C ATOM 454 NE ARG A 28 1.993 -13.451 -7.208 1.00 0.00 N ATOM 455 CZ ARG A 28 3.104 -13.401 -6.474 1.00 0.00 C ATOM 456 NH1 ARG A 28 3.452 -14.437 -5.713 1.00 0.00 N ATOM 457 NH2 ARG A 28 3.872 -12.322 -6.511 1.00 0.00 N ATOM 0 H ARG A 28 -2.862 -15.094 -7.397 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.882 -12.156 -7.031 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.505 -12.170 -7.680 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.762 -13.078 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.902 -15.154 -7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.073 -14.095 -8.956 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.878 -14.891 -6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.548 -15.434 -7.705 1.00 0.00 H new ATOM 0 HE ARG A 28 1.772 -12.652 -7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.867 -15.273 -5.691 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.303 -14.395 -5.153 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.612 -11.531 -7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.723 -12.282 -5.950 1.00 0.00 H new ATOM 471 N TRP A 29 -3.264 -11.753 -9.404 1.00 0.00 N ATOM 472 CA TRP A 29 -3.535 -11.468 -10.803 1.00 0.00 C ATOM 473 C TRP A 29 -2.546 -10.451 -11.350 1.00 0.00 C ATOM 474 O TRP A 29 -2.676 -9.246 -11.121 1.00 0.00 O ATOM 475 CB TRP A 29 -4.968 -10.964 -10.993 1.00 0.00 C ATOM 476 CG TRP A 29 -5.980 -12.064 -11.072 1.00 0.00 C ATOM 477 CD1 TRP A 29 -6.485 -12.618 -12.210 1.00 0.00 C ATOM 478 CD2 TRP A 29 -6.608 -12.742 -9.979 1.00 0.00 C ATOM 479 NE1 TRP A 29 -7.386 -13.603 -11.894 1.00 0.00 N ATOM 480 CE2 TRP A 29 -7.480 -13.699 -10.532 1.00 0.00 C ATOM 481 CE3 TRP A 29 -6.517 -12.637 -8.588 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -8.257 -14.543 -9.742 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -7.289 -13.475 -7.807 1.00 0.00 C ATOM 484 CH2 TRP A 29 -8.147 -14.418 -8.386 1.00 0.00 C ATOM 0 H TRP A 29 -3.481 -10.984 -8.770 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.420 -12.399 -11.359 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.225 -10.303 -10.166 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.018 -10.368 -11.905 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.215 -12.325 -13.214 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.902 -14.172 -12.565 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.856 -11.915 -8.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.922 -15.270 -10.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.230 -13.402 -6.731 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.735 -15.060 -7.747 1.00 0.00 H new ATOM 495 N GLU A 30 -1.544 -10.954 -12.050 1.00 0.00 N ATOM 496 CA GLU A 30 -0.554 -10.114 -12.701 1.00 0.00 C ATOM 497 C GLU A 30 -1.155 -9.528 -13.976 1.00 0.00 C ATOM 498 O GLU A 30 -1.491 -10.263 -14.908 1.00 0.00 O ATOM 499 CB GLU A 30 0.691 -10.951 -13.006 1.00 0.00 C ATOM 500 CG GLU A 30 1.842 -10.170 -13.613 1.00 0.00 C ATOM 501 CD GLU A 30 3.057 -11.046 -13.840 1.00 0.00 C ATOM 502 OE1 GLU A 30 3.112 -11.733 -14.881 1.00 0.00 O ATOM 503 OE2 GLU A 30 3.949 -11.070 -12.968 1.00 0.00 O ATOM 0 H GLU A 30 -1.394 -11.954 -12.183 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.263 -9.290 -12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.033 -11.419 -12.083 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.415 -11.755 -13.688 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.526 -9.734 -14.561 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.108 -9.343 -12.954 1.00 0.00 H new ATOM 510 N VAL A 31 -1.302 -8.212 -14.008 1.00 0.00 N ATOM 511 CA VAL A 31 -2.026 -7.554 -15.085 1.00 0.00 C ATOM 512 C VAL A 31 -1.280 -6.296 -15.552 1.00 0.00 C ATOM 513 O VAL A 31 -0.316 -5.871 -14.915 1.00 0.00 O ATOM 514 CB VAL A 31 -3.457 -7.197 -14.613 1.00 0.00 C ATOM 515 CG1 VAL A 31 -3.431 -6.042 -13.629 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.374 -6.896 -15.786 1.00 0.00 C ATOM 0 H VAL A 31 -0.930 -7.579 -13.300 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.094 -8.237 -15.932 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.861 -8.070 -14.100 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.448 -5.811 -13.313 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.834 -6.318 -12.760 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.992 -5.166 -14.107 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.369 -6.650 -15.416 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.978 -6.052 -16.350 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.434 -7.770 -16.435 1.00 0.00 H new ATOM 526 N LEU A 32 -1.718 -5.720 -16.669 1.00 0.00 N ATOM 527 CA LEU A 32 -1.090 -4.523 -17.216 1.00 0.00 C ATOM 528 C LEU A 32 -1.746 -3.257 -16.662 1.00 0.00 C ATOM 529 O LEU A 32 -2.971 -3.172 -16.563 1.00 0.00 O ATOM 530 CB LEU A 32 -1.186 -4.531 -18.744 1.00 0.00 C ATOM 531 CG LEU A 32 -0.538 -3.334 -19.446 1.00 0.00 C ATOM 532 CD1 LEU A 32 0.970 -3.335 -19.237 1.00 0.00 C ATOM 533 CD2 LEU A 32 -0.873 -3.335 -20.929 1.00 0.00 C ATOM 0 H LEU A 32 -2.508 -6.065 -17.214 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.041 -4.525 -16.919 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.722 -5.444 -19.116 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.238 -4.570 -19.025 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.942 -2.423 -19.004 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.408 -2.476 -19.745 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.190 -3.277 -18.171 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.393 -4.253 -19.646 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.403 -2.477 -21.409 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.503 -4.253 -21.385 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.954 -3.276 -21.058 1.00 0.00 H new ATOM 545 N LEU A 33 -0.919 -2.283 -16.309 1.00 0.00 N ATOM 546 CA LEU A 33 -1.395 -1.009 -15.788 1.00 0.00 C ATOM 547 C LEU A 33 -1.734 -0.055 -16.933 1.00 0.00 C ATOM 548 O LEU A 33 -1.182 -0.166 -18.029 1.00 0.00 O ATOM 549 CB LEU A 33 -0.318 -0.392 -14.890 1.00 0.00 C ATOM 550 CG LEU A 33 -0.672 0.956 -14.255 1.00 0.00 C ATOM 551 CD1 LEU A 33 -1.843 0.802 -13.302 1.00 0.00 C ATOM 552 CD2 LEU A 33 0.530 1.542 -13.529 1.00 0.00 C ATOM 0 H LEU A 33 0.096 -2.353 -16.375 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.300 -1.179 -15.205 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.088 -1.099 -14.093 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.591 -0.268 -15.478 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.959 1.643 -15.051 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.082 1.769 -12.859 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.710 0.429 -13.848 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.580 0.097 -12.513 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.256 2.499 -13.086 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.850 0.857 -12.744 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.346 1.690 -14.237 1.00 0.00 H new ATOM 564 N HIS A 34 -2.658 0.869 -16.689 1.00 0.00 N ATOM 565 CA HIS A 34 -3.003 1.879 -17.684 1.00 0.00 C ATOM 566 C HIS A 34 -2.944 3.283 -17.097 1.00 0.00 C ATOM 567 O HIS A 34 -2.519 4.217 -17.773 1.00 0.00 O ATOM 568 CB HIS A 34 -4.381 1.613 -18.286 1.00 0.00 C ATOM 569 CG HIS A 34 -4.389 0.497 -19.285 1.00 0.00 C ATOM 570 ND1 HIS A 34 -3.779 0.592 -20.517 1.00 0.00 N ATOM 571 CD2 HIS A 34 -4.937 -0.739 -19.234 1.00 0.00 C ATOM 572 CE1 HIS A 34 -3.953 -0.535 -21.180 1.00 0.00 C ATOM 573 NE2 HIS A 34 -4.652 -1.360 -20.426 1.00 0.00 N ATOM 0 H HIS A 34 -3.179 0.940 -15.815 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.261 1.813 -18.480 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.080 1.377 -17.484 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.741 2.523 -18.766 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.272 1.407 -20.862 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.495 -1.159 -18.410 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.585 -0.746 -22.173 1.00 0.00 H new ATOM 582 N ASP A 35 -3.381 3.423 -15.853 1.00 0.00 N ATOM 583 CA ASP A 35 -3.277 4.688 -15.123 1.00 0.00 C ATOM 584 C ASP A 35 -3.506 4.410 -13.643 1.00 0.00 C ATOM 585 O ASP A 35 -4.098 3.388 -13.298 1.00 0.00 O ATOM 586 CB ASP A 35 -4.291 5.719 -15.643 1.00 0.00 C ATOM 587 CG ASP A 35 -3.998 7.139 -15.170 1.00 0.00 C ATOM 588 OD1 ASP A 35 -3.515 7.964 -15.987 1.00 0.00 O ATOM 589 OD2 ASP A 35 -4.270 7.449 -13.995 1.00 0.00 O ATOM 0 H ASP A 35 -3.816 2.670 -15.320 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.284 5.111 -15.275 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.294 5.699 -16.733 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.291 5.433 -15.316 1.00 0.00 H new ATOM 594 N VAL A 36 -3.026 5.283 -12.774 1.00 0.00 N ATOM 595 CA VAL A 36 -3.168 5.088 -11.337 1.00 0.00 C ATOM 596 C VAL A 36 -3.067 6.421 -10.598 1.00 0.00 C ATOM 597 O VAL A 36 -2.253 7.274 -10.944 1.00 0.00 O ATOM 598 CB VAL A 36 -2.108 4.095 -10.795 1.00 0.00 C ATOM 599 CG1 VAL A 36 -0.693 4.585 -11.071 1.00 0.00 C ATOM 600 CG2 VAL A 36 -2.307 3.838 -9.307 1.00 0.00 C ATOM 0 H VAL A 36 -2.533 6.136 -13.037 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.155 4.662 -11.159 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.244 3.152 -11.325 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.025 3.865 -10.678 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.548 4.692 -12.146 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.541 5.550 -10.587 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.550 3.138 -8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.216 4.777 -8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.298 3.415 -9.140 1.00 0.00 H new ATOM 610 N SER A 37 -3.914 6.611 -9.596 1.00 0.00 N ATOM 611 CA SER A 37 -3.894 7.836 -8.812 1.00 0.00 C ATOM 612 C SER A 37 -4.308 7.563 -7.361 1.00 0.00 C ATOM 613 O SER A 37 -4.444 6.413 -6.945 1.00 0.00 O ATOM 614 CB SER A 37 -4.817 8.888 -9.438 1.00 0.00 C ATOM 615 OG SER A 37 -4.458 9.171 -10.776 1.00 0.00 O ATOM 0 H SER A 37 -4.621 5.935 -9.308 1.00 0.00 H new ATOM 0 HA SER A 37 -2.874 8.221 -8.811 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.847 8.534 -9.405 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.776 9.804 -8.849 1.00 0.00 H new ATOM 0 HG SER A 37 -5.068 9.844 -11.143 1.00 0.00 H new ATOM 621 N LEU A 38 -4.537 8.637 -6.611 1.00 0.00 N ATOM 622 CA LEU A 38 -4.867 8.556 -5.190 1.00 0.00 C ATOM 623 C LEU A 38 -6.262 7.970 -4.977 1.00 0.00 C ATOM 624 O LEU A 38 -6.581 7.431 -3.923 1.00 0.00 O ATOM 625 CB LEU A 38 -4.797 9.965 -4.587 1.00 0.00 C ATOM 626 CG LEU A 38 -5.230 10.084 -3.128 1.00 0.00 C ATOM 627 CD1 LEU A 38 -4.326 9.254 -2.241 1.00 0.00 C ATOM 628 CD2 LEU A 38 -5.221 11.539 -2.688 1.00 0.00 C ATOM 0 H LEU A 38 -4.499 9.590 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.151 7.897 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.772 10.326 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.420 10.628 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.247 9.704 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.647 9.349 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.380 8.208 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.299 9.607 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.532 11.606 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.215 11.945 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.910 12.111 -3.310 1.00 0.00 H new ATOM 640 N HIS A 39 -7.068 8.055 -6.013 1.00 0.00 N ATOM 641 CA HIS A 39 -8.491 7.719 -5.928 1.00 0.00 C ATOM 642 C HIS A 39 -8.817 6.464 -6.721 1.00 0.00 C ATOM 643 O HIS A 39 -9.980 6.187 -6.996 1.00 0.00 O ATOM 644 CB HIS A 39 -9.334 8.890 -6.444 1.00 0.00 C ATOM 645 CG HIS A 39 -8.687 9.584 -7.595 1.00 0.00 C ATOM 646 ND1 HIS A 39 -8.936 9.266 -8.910 1.00 0.00 N ATOM 647 CD2 HIS A 39 -7.723 10.529 -7.607 1.00 0.00 C ATOM 648 CE1 HIS A 39 -8.145 9.984 -9.684 1.00 0.00 C ATOM 649 NE2 HIS A 39 -7.403 10.760 -8.917 1.00 0.00 N ATOM 0 H HIS A 39 -6.766 8.357 -6.939 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.727 7.527 -4.881 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -10.315 8.524 -6.747 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.496 9.603 -5.636 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.287 11.012 -6.745 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.111 9.944 -10.763 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.704 11.425 -9.247 1.00 0.00 H new ATOM 658 N GLY A 40 -7.799 5.714 -7.101 1.00 0.00 N ATOM 659 CA GLY A 40 -8.047 4.478 -7.806 1.00 0.00 C ATOM 660 C GLY A 40 -6.949 4.098 -8.770 1.00 0.00 C ATOM 661 O GLY A 40 -5.977 4.836 -8.948 1.00 0.00 O ATOM 0 H GLY A 40 -6.817 5.934 -6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.175 3.675 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.985 4.564 -8.354 1.00 0.00 H new ATOM 665 N ILE A 41 -7.127 2.948 -9.396 1.00 0.00 N ATOM 666 CA ILE A 41 -6.153 2.397 -10.321 1.00 0.00 C ATOM 667 C ILE A 41 -6.869 1.696 -11.478 1.00 0.00 C ATOM 668 O ILE A 41 -7.844 0.971 -11.269 1.00 0.00 O ATOM 669 CB ILE A 41 -5.198 1.407 -9.604 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.234 0.761 -10.602 1.00 0.00 C ATOM 671 CG2 ILE A 41 -5.984 0.343 -8.848 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.232 -0.178 -9.962 1.00 0.00 C ATOM 0 H ILE A 41 -7.957 2.367 -9.276 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.554 3.218 -10.714 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.610 1.972 -8.880 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.810 0.211 -11.346 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.695 1.546 -11.133 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.292 -0.339 -8.354 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.618 0.821 -8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.606 -0.216 -9.547 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.583 -0.597 -10.731 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.629 0.371 -9.239 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.762 -0.985 -9.455 1.00 0.00 H new ATOM 684 N LEU A 42 -6.399 1.937 -12.692 1.00 0.00 N ATOM 685 CA LEU A 42 -6.992 1.353 -13.884 1.00 0.00 C ATOM 686 C LEU A 42 -6.066 0.303 -14.486 1.00 0.00 C ATOM 687 O LEU A 42 -4.957 0.619 -14.932 1.00 0.00 O ATOM 688 CB LEU A 42 -7.274 2.438 -14.926 1.00 0.00 C ATOM 689 CG LEU A 42 -7.862 1.928 -16.244 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.303 1.482 -16.054 1.00 0.00 C ATOM 691 CD2 LEU A 42 -7.764 2.993 -17.323 1.00 0.00 C ATOM 0 H LEU A 42 -5.598 2.541 -12.878 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.929 0.878 -13.595 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.962 3.165 -14.495 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.345 2.966 -15.140 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.280 1.064 -16.566 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.701 1.123 -17.003 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.341 0.679 -15.318 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.901 2.323 -15.704 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.187 2.610 -18.252 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.316 3.879 -17.011 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.718 3.255 -17.482 1.00 0.00 H new ATOM 703 N VAL A 43 -6.521 -0.938 -14.504 1.00 0.00 N ATOM 704 CA VAL A 43 -5.746 -2.024 -15.082 1.00 0.00 C ATOM 705 C VAL A 43 -6.451 -2.588 -16.313 1.00 0.00 C ATOM 706 O VAL A 43 -7.644 -2.351 -16.519 1.00 0.00 O ATOM 707 CB VAL A 43 -5.495 -3.154 -14.063 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.704 -2.632 -12.873 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.807 -3.778 -13.606 1.00 0.00 C ATOM 0 H VAL A 43 -7.425 -1.220 -14.124 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.780 -1.612 -15.374 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.908 -3.930 -14.554 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.536 -3.443 -12.164 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.744 -2.245 -13.216 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.264 -1.834 -12.386 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.602 -4.572 -12.888 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.428 -3.016 -13.136 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.331 -4.194 -14.466 1.00 0.00 H new ATOM 719 N GLY A 44 -5.712 -3.325 -17.130 1.00 0.00 N ATOM 720 CA GLY A 44 -6.278 -3.865 -18.349 1.00 0.00 C ATOM 721 C GLY A 44 -6.255 -5.377 -18.386 1.00 0.00 C ATOM 722 O GLY A 44 -5.229 -5.984 -18.693 1.00 0.00 O ATOM 0 H GLY A 44 -4.732 -3.558 -16.971 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.307 -3.519 -18.451 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.725 -3.477 -19.204 1.00 0.00 H new ATOM 726 N GLN A 45 -7.387 -5.986 -18.070 1.00 0.00 N ATOM 727 CA GLN A 45 -7.518 -7.433 -18.128 1.00 0.00 C ATOM 728 C GLN A 45 -8.577 -7.802 -19.156 1.00 0.00 C ATOM 729 O GLN A 45 -9.719 -7.361 -19.058 1.00 0.00 O ATOM 730 CB GLN A 45 -7.885 -8.012 -16.753 1.00 0.00 C ATOM 731 CG GLN A 45 -7.885 -9.537 -16.722 1.00 0.00 C ATOM 732 CD GLN A 45 -8.227 -10.111 -15.357 1.00 0.00 C ATOM 733 OE1 GLN A 45 -8.784 -11.203 -15.254 1.00 0.00 O ATOM 734 NE2 GLN A 45 -7.889 -9.385 -14.303 1.00 0.00 N ATOM 0 H GLN A 45 -8.231 -5.498 -17.770 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.559 -7.859 -18.422 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.180 -7.640 -16.010 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.872 -7.649 -16.465 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.602 -9.908 -17.454 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.903 -9.900 -17.025 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.428 -8.484 -14.431 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.089 -9.727 -13.363 1.00 0.00 H new ATOM 743 N PRO A 46 -8.208 -8.604 -20.165 1.00 0.00 N ATOM 744 CA PRO A 46 -9.121 -8.992 -21.249 1.00 0.00 C ATOM 745 C PRO A 46 -10.306 -9.829 -20.767 1.00 0.00 C ATOM 746 O PRO A 46 -11.307 -9.964 -21.473 1.00 0.00 O ATOM 747 CB PRO A 46 -8.237 -9.823 -22.192 1.00 0.00 C ATOM 748 CG PRO A 46 -6.832 -9.503 -21.807 1.00 0.00 C ATOM 749 CD PRO A 46 -6.867 -9.181 -20.343 1.00 0.00 C ATOM 0 HA PRO A 46 -9.569 -8.115 -21.716 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.441 -10.888 -22.083 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.426 -9.567 -23.234 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.171 -10.347 -22.005 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.452 -8.659 -22.383 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.726 -10.071 -19.730 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.084 -8.476 -20.066 1.00 0.00 H new ATOM 757 N GLN A 47 -10.192 -10.388 -19.569 1.00 0.00 N ATOM 758 CA GLN A 47 -11.240 -11.241 -19.025 1.00 0.00 C ATOM 759 C GLN A 47 -12.121 -10.465 -18.051 1.00 0.00 C ATOM 760 O GLN A 47 -11.624 -9.816 -17.129 1.00 0.00 O ATOM 761 CB GLN A 47 -10.634 -12.455 -18.319 1.00 0.00 C ATOM 762 CG GLN A 47 -9.688 -13.275 -19.189 1.00 0.00 C ATOM 763 CD GLN A 47 -10.305 -13.691 -20.512 1.00 0.00 C ATOM 764 OE1 GLN A 47 -10.175 -12.994 -21.517 1.00 0.00 O ATOM 765 NE2 GLN A 47 -10.983 -14.827 -20.523 1.00 0.00 N ATOM 0 H GLN A 47 -9.386 -10.266 -18.957 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.856 -11.585 -19.856 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.094 -12.115 -17.435 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.441 -13.100 -17.972 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.786 -12.694 -19.382 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.382 -14.166 -18.642 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.069 -15.378 -19.669 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.420 -15.152 -21.386 1.00 0.00 H new ATOM 774 N ASP A 48 -13.427 -10.533 -18.264 1.00 0.00 N ATOM 775 CA ASP A 48 -14.385 -9.867 -17.389 1.00 0.00 C ATOM 776 C ASP A 48 -14.780 -10.803 -16.256 1.00 0.00 C ATOM 777 O ASP A 48 -15.583 -11.721 -16.445 1.00 0.00 O ATOM 778 CB ASP A 48 -15.624 -9.450 -18.186 1.00 0.00 C ATOM 779 CG ASP A 48 -16.582 -8.570 -17.401 1.00 0.00 C ATOM 780 OD1 ASP A 48 -17.290 -9.087 -16.510 1.00 0.00 O ATOM 781 OD2 ASP A 48 -16.663 -7.360 -17.704 1.00 0.00 O ATOM 0 H ASP A 48 -13.850 -11.045 -19.038 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.924 -8.973 -16.969 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.307 -8.918 -19.083 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.152 -10.345 -18.516 1.00 0.00 H new ATOM 786 N TRP A 49 -14.181 -10.604 -15.093 1.00 0.00 N ATOM 787 CA TRP A 49 -14.451 -11.453 -13.941 1.00 0.00 C ATOM 788 C TRP A 49 -15.618 -10.902 -13.126 1.00 0.00 C ATOM 789 O TRP A 49 -16.108 -9.805 -13.393 1.00 0.00 O ATOM 790 CB TRP A 49 -13.194 -11.595 -13.065 1.00 0.00 C ATOM 791 CG TRP A 49 -12.758 -10.331 -12.367 1.00 0.00 C ATOM 792 CD1 TRP A 49 -13.230 -9.064 -12.567 1.00 0.00 C ATOM 793 CD2 TRP A 49 -11.751 -10.222 -11.352 1.00 0.00 C ATOM 794 NE1 TRP A 49 -12.591 -8.184 -11.733 1.00 0.00 N ATOM 795 CE2 TRP A 49 -11.675 -8.867 -10.983 1.00 0.00 C ATOM 796 CE3 TRP A 49 -10.905 -11.139 -10.721 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -10.793 -8.407 -10.011 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -10.029 -10.681 -9.756 1.00 0.00 C ATOM 799 CH2 TRP A 49 -9.979 -9.326 -9.411 1.00 0.00 C ATOM 0 H TRP A 49 -13.504 -9.861 -14.920 1.00 0.00 H new ATOM 0 HA TRP A 49 -14.727 -12.443 -14.304 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -13.378 -12.362 -12.313 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.373 -11.950 -13.688 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -13.996 -8.795 -13.279 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.770 -7.181 -11.680 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.936 -12.186 -10.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.753 -7.362 -9.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.372 -11.380 -9.260 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.282 -8.999 -8.654 1.00 0.00 H new ATOM 810 N ASN A 50 -16.050 -11.644 -12.117 1.00 0.00 N ATOM 811 CA ASN A 50 -17.154 -11.202 -11.283 1.00 0.00 C ATOM 812 C ASN A 50 -17.010 -11.725 -9.862 1.00 0.00 C ATOM 813 O ASN A 50 -17.571 -12.762 -9.501 1.00 0.00 O ATOM 814 CB ASN A 50 -18.500 -11.638 -11.871 1.00 0.00 C ATOM 815 CG ASN A 50 -19.681 -11.056 -11.112 1.00 0.00 C ATOM 816 OD1 ASN A 50 -20.170 -11.642 -10.143 1.00 0.00 O ATOM 817 ND2 ASN A 50 -20.149 -9.899 -11.549 1.00 0.00 N ATOM 0 H ASN A 50 -15.655 -12.548 -11.858 1.00 0.00 H new ATOM 0 HA ASN A 50 -17.126 -10.113 -11.255 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -18.555 -11.328 -12.915 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -18.564 -12.726 -11.857 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -20.942 -9.460 -11.081 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -19.717 -9.445 -12.354 1.00 0.00 H new ATOM 824 N GLY A 51 -16.198 -11.038 -9.077 1.00 0.00 N ATOM 825 CA GLY A 51 -16.173 -11.279 -7.652 1.00 0.00 C ATOM 826 C GLY A 51 -17.120 -10.339 -6.949 1.00 0.00 C ATOM 827 O GLY A 51 -17.577 -10.614 -5.839 1.00 0.00 O ATOM 0 H GLY A 51 -15.554 -10.316 -9.402 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.454 -12.312 -7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.161 -11.141 -7.270 1.00 0.00 H new ATOM 831 N ASP A 52 -17.400 -9.231 -7.641 1.00 0.00 N ATOM 832 CA ASP A 52 -18.319 -8.180 -7.207 1.00 0.00 C ATOM 833 C ASP A 52 -17.577 -7.161 -6.358 1.00 0.00 C ATOM 834 O ASP A 52 -16.641 -7.511 -5.637 1.00 0.00 O ATOM 835 CB ASP A 52 -19.543 -8.743 -6.467 1.00 0.00 C ATOM 836 CG ASP A 52 -20.842 -8.136 -6.960 1.00 0.00 C ATOM 837 OD1 ASP A 52 -21.450 -7.331 -6.230 1.00 0.00 O ATOM 838 OD2 ASP A 52 -21.260 -8.458 -8.088 1.00 0.00 O ATOM 0 H ASP A 52 -16.978 -9.036 -8.549 1.00 0.00 H new ATOM 0 HA ASP A 52 -18.703 -7.683 -8.098 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -19.578 -9.825 -6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -19.438 -8.553 -5.399 1.00 0.00 H new ATOM 843 N PRO A 53 -17.961 -5.878 -6.468 1.00 0.00 N ATOM 844 CA PRO A 53 -17.308 -4.762 -5.756 1.00 0.00 C ATOM 845 C PRO A 53 -17.257 -4.918 -4.233 1.00 0.00 C ATOM 846 O PRO A 53 -16.726 -4.053 -3.537 1.00 0.00 O ATOM 847 CB PRO A 53 -18.175 -3.555 -6.122 1.00 0.00 C ATOM 848 CG PRO A 53 -18.803 -3.918 -7.416 1.00 0.00 C ATOM 849 CD PRO A 53 -19.052 -5.394 -7.338 1.00 0.00 C ATOM 0 HA PRO A 53 -16.261 -4.688 -6.049 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.928 -3.362 -5.357 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.575 -2.650 -6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -19.733 -3.370 -7.569 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -18.148 -3.674 -8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -20.032 -5.615 -6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.018 -5.860 -8.323 1.00 0.00 H new ATOM 857 N GLN A 54 -17.803 -6.010 -3.711 1.00 0.00 N ATOM 858 CA GLN A 54 -17.759 -6.261 -2.277 1.00 0.00 C ATOM 859 C GLN A 54 -16.524 -7.075 -1.914 1.00 0.00 C ATOM 860 O GLN A 54 -16.258 -7.315 -0.735 1.00 0.00 O ATOM 861 CB GLN A 54 -19.016 -6.989 -1.792 1.00 0.00 C ATOM 862 CG GLN A 54 -20.274 -6.130 -1.768 1.00 0.00 C ATOM 863 CD GLN A 54 -20.838 -5.865 -3.146 1.00 0.00 C ATOM 864 OE1 GLN A 54 -20.518 -4.861 -3.787 1.00 0.00 O ATOM 865 NE2 GLN A 54 -21.676 -6.772 -3.617 1.00 0.00 N ATOM 0 H GLN A 54 -18.278 -6.730 -4.255 1.00 0.00 H new ATOM 0 HA GLN A 54 -17.713 -5.292 -1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.192 -7.851 -2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.834 -7.372 -0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -21.032 -6.624 -1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -20.048 -5.179 -1.285 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.914 -7.588 -3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -22.085 -6.656 -4.544 1.00 0.00 H new ATOM 874 N ARG A 55 -15.784 -7.524 -2.925 1.00 0.00 N ATOM 875 CA ARG A 55 -14.544 -8.247 -2.683 1.00 0.00 C ATOM 876 C ARG A 55 -13.384 -7.279 -2.478 1.00 0.00 C ATOM 877 O ARG A 55 -13.142 -6.401 -3.310 1.00 0.00 O ATOM 878 CB ARG A 55 -14.218 -9.191 -3.841 1.00 0.00 C ATOM 879 CG ARG A 55 -15.191 -10.347 -3.991 1.00 0.00 C ATOM 880 CD ARG A 55 -15.285 -11.173 -2.721 1.00 0.00 C ATOM 881 NE ARG A 55 -16.103 -12.368 -2.913 1.00 0.00 N ATOM 882 CZ ARG A 55 -16.941 -12.857 -2.002 1.00 0.00 C ATOM 883 NH1 ARG A 55 -17.089 -12.253 -0.831 1.00 0.00 N ATOM 884 NH2 ARG A 55 -17.639 -13.953 -2.263 1.00 0.00 N ATOM 0 H ARG A 55 -16.021 -7.400 -3.909 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.684 -8.837 -1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.204 -8.619 -4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.214 -9.591 -3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.178 -9.961 -4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.874 -10.984 -4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.284 -11.464 -2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.710 -10.565 -1.922 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.027 -12.860 -3.803 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.559 -11.407 -0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.733 -12.634 -0.138 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.534 -14.422 -3.163 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.281 -14.327 -1.564 1.00 0.00 H new ATOM 898 N PRO A 56 -12.662 -7.418 -1.359 1.00 0.00 N ATOM 899 CA PRO A 56 -11.465 -6.623 -1.098 1.00 0.00 C ATOM 900 C PRO A 56 -10.287 -7.088 -1.950 1.00 0.00 C ATOM 901 O PRO A 56 -9.966 -8.277 -1.987 1.00 0.00 O ATOM 902 CB PRO A 56 -11.192 -6.866 0.386 1.00 0.00 C ATOM 903 CG PRO A 56 -11.791 -8.201 0.674 1.00 0.00 C ATOM 904 CD PRO A 56 -12.960 -8.357 -0.263 1.00 0.00 C ATOM 0 HA PRO A 56 -11.602 -5.570 -1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.123 -6.859 0.597 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.644 -6.089 1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.061 -8.995 0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.115 -8.265 1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.047 -9.381 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.902 -8.112 0.228 1.00 0.00 H new ATOM 912 N PHE A 57 -9.656 -6.149 -2.638 1.00 0.00 N ATOM 913 CA PHE A 57 -8.539 -6.466 -3.512 1.00 0.00 C ATOM 914 C PHE A 57 -7.308 -5.664 -3.103 1.00 0.00 C ATOM 915 O PHE A 57 -7.430 -4.607 -2.491 1.00 0.00 O ATOM 916 CB PHE A 57 -8.915 -6.177 -4.977 1.00 0.00 C ATOM 917 CG PHE A 57 -9.989 -7.087 -5.516 1.00 0.00 C ATOM 918 CD1 PHE A 57 -9.801 -8.459 -5.508 1.00 0.00 C ATOM 919 CD2 PHE A 57 -11.183 -6.583 -6.032 1.00 0.00 C ATOM 920 CE1 PHE A 57 -10.770 -9.311 -5.995 1.00 0.00 C ATOM 921 CE2 PHE A 57 -12.153 -7.438 -6.520 1.00 0.00 C ATOM 922 CZ PHE A 57 -11.947 -8.801 -6.501 1.00 0.00 C ATOM 0 H PHE A 57 -9.900 -5.159 -2.607 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.305 -7.526 -3.419 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.251 -5.143 -5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.024 -6.273 -5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.882 -8.868 -5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.351 -5.516 -6.050 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.607 -10.379 -5.980 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -13.074 -7.038 -6.917 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.706 -9.468 -6.882 1.00 0.00 H new ATOM 932 N GLU A 58 -6.128 -6.174 -3.412 1.00 0.00 N ATOM 933 CA GLU A 58 -4.895 -5.456 -3.117 1.00 0.00 C ATOM 934 C GLU A 58 -4.142 -5.120 -4.393 1.00 0.00 C ATOM 935 O GLU A 58 -4.052 -5.939 -5.304 1.00 0.00 O ATOM 936 CB GLU A 58 -3.984 -6.270 -2.198 1.00 0.00 C ATOM 937 CG GLU A 58 -4.491 -6.394 -0.774 1.00 0.00 C ATOM 938 CD GLU A 58 -3.515 -7.135 0.115 1.00 0.00 C ATOM 939 OE1 GLU A 58 -3.807 -8.287 0.500 1.00 0.00 O ATOM 940 OE2 GLU A 58 -2.448 -6.570 0.438 1.00 0.00 O ATOM 0 H GLU A 58 -5.995 -7.078 -3.865 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.177 -4.533 -2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.862 -7.269 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.997 -5.809 -2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.670 -5.399 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.448 -6.915 -0.774 1.00 0.00 H new ATOM 947 N ALA A 59 -3.607 -3.914 -4.453 1.00 0.00 N ATOM 948 CA ALA A 59 -2.791 -3.502 -5.580 1.00 0.00 C ATOM 949 C ALA A 59 -1.323 -3.464 -5.179 1.00 0.00 C ATOM 950 O ALA A 59 -0.938 -2.714 -4.276 1.00 0.00 O ATOM 951 CB ALA A 59 -3.234 -2.143 -6.099 1.00 0.00 C ATOM 0 H ALA A 59 -3.723 -3.201 -3.733 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.918 -4.230 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.608 -1.854 -6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.274 -2.198 -6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.137 -1.402 -5.306 1.00 0.00 H new ATOM 957 N ARG A 60 -0.517 -4.300 -5.823 1.00 0.00 N ATOM 958 CA ARG A 60 0.912 -4.337 -5.565 1.00 0.00 C ATOM 959 C ARG A 60 1.674 -3.863 -6.794 1.00 0.00 C ATOM 960 O ARG A 60 1.683 -4.533 -7.829 1.00 0.00 O ATOM 961 CB ARG A 60 1.347 -5.755 -5.183 1.00 0.00 C ATOM 962 CG ARG A 60 0.665 -6.294 -3.935 1.00 0.00 C ATOM 963 CD ARG A 60 1.076 -5.520 -2.692 1.00 0.00 C ATOM 964 NE ARG A 60 0.344 -5.957 -1.499 1.00 0.00 N ATOM 965 CZ ARG A 60 0.925 -6.387 -0.376 1.00 0.00 C ATOM 966 NH1 ARG A 60 2.245 -6.537 -0.315 1.00 0.00 N ATOM 967 NH2 ARG A 60 0.176 -6.699 0.674 1.00 0.00 N ATOM 0 H ARG A 60 -0.834 -4.963 -6.530 1.00 0.00 H new ATOM 0 HA ARG A 60 1.137 -3.671 -4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.139 -6.425 -6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.426 -5.764 -5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.417 -6.238 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.917 -7.347 -3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.146 -5.645 -2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.901 -4.456 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.675 -5.931 -1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.821 -6.323 -1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.682 -6.866 0.546 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.839 -6.610 0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.615 -7.028 1.534 1.00 0.00 H new ATOM 981 N LEU A 61 2.290 -2.697 -6.681 1.00 0.00 N ATOM 982 CA LEU A 61 3.035 -2.112 -7.784 1.00 0.00 C ATOM 983 C LEU A 61 4.533 -2.222 -7.530 1.00 0.00 C ATOM 984 O LEU A 61 5.056 -1.648 -6.571 1.00 0.00 O ATOM 985 CB LEU A 61 2.642 -0.644 -7.972 1.00 0.00 C ATOM 986 CG LEU A 61 1.158 -0.398 -8.256 1.00 0.00 C ATOM 987 CD1 LEU A 61 0.876 1.091 -8.372 1.00 0.00 C ATOM 988 CD2 LEU A 61 0.728 -1.123 -9.523 1.00 0.00 C ATOM 0 H LEU A 61 2.288 -2.134 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 61 2.792 -2.661 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.920 -0.092 -7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.226 -0.230 -8.794 1.00 0.00 H new ATOM 0 HG LEU A 61 0.579 -0.793 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.184 1.246 -8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.144 1.586 -7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.466 1.511 -9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.330 -0.936 -9.708 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.314 -0.759 -10.367 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.891 -2.194 -9.403 1.00 0.00 H new ATOM 1000 N TYR A 62 5.216 -2.967 -8.386 1.00 0.00 N ATOM 1001 CA TYR A 62 6.646 -3.191 -8.229 1.00 0.00 C ATOM 1002 C TYR A 62 7.450 -2.298 -9.170 1.00 0.00 C ATOM 1003 O TYR A 62 7.551 -2.572 -10.369 1.00 0.00 O ATOM 1004 CB TYR A 62 6.990 -4.659 -8.493 1.00 0.00 C ATOM 1005 CG TYR A 62 6.204 -5.635 -7.644 1.00 0.00 C ATOM 1006 CD1 TYR A 62 4.961 -6.090 -8.059 1.00 0.00 C ATOM 1007 CD2 TYR A 62 6.706 -6.106 -6.436 1.00 0.00 C ATOM 1008 CE1 TYR A 62 4.236 -6.980 -7.297 1.00 0.00 C ATOM 1009 CE2 TYR A 62 5.983 -6.998 -5.665 1.00 0.00 C ATOM 1010 CZ TYR A 62 4.751 -7.432 -6.103 1.00 0.00 C ATOM 1011 OH TYR A 62 4.027 -8.325 -5.346 1.00 0.00 O ATOM 0 H TYR A 62 4.803 -3.427 -9.197 1.00 0.00 H new ATOM 0 HA TYR A 62 6.910 -2.939 -7.202 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.810 -4.881 -9.545 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.054 -4.811 -8.313 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.554 -5.740 -8.996 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.674 -5.771 -6.095 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.269 -7.321 -7.635 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.382 -7.352 -4.726 1.00 0.00 H new ATOM 0 HH TYR A 62 3.616 -8.994 -5.933 1.00 0.00 H new ATOM 1021 N LEU A 63 8.014 -1.227 -8.620 1.00 0.00 N ATOM 1022 CA LEU A 63 8.891 -0.341 -9.382 1.00 0.00 C ATOM 1023 C LEU A 63 10.323 -0.846 -9.284 1.00 0.00 C ATOM 1024 O LEU A 63 11.223 -0.372 -9.977 1.00 0.00 O ATOM 1025 CB LEU A 63 8.807 1.105 -8.870 1.00 0.00 C ATOM 1026 CG LEU A 63 7.612 1.931 -9.368 1.00 0.00 C ATOM 1027 CD1 LEU A 63 7.635 2.039 -10.884 1.00 0.00 C ATOM 1028 CD2 LEU A 63 6.294 1.343 -8.886 1.00 0.00 C ATOM 0 H LEU A 63 7.880 -0.950 -7.647 1.00 0.00 H new ATOM 0 HA LEU A 63 8.567 -0.344 -10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.778 1.082 -7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.723 1.623 -9.153 1.00 0.00 H new ATOM 0 HG LEU A 63 7.698 2.934 -8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.781 2.628 -11.220 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.558 2.525 -11.200 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.582 1.042 -11.321 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.468 1.951 -9.255 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.191 0.325 -9.261 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.277 1.332 -7.796 1.00 0.00 H new ATOM 1040 N GLY A 64 10.503 -1.815 -8.409 1.00 0.00 N ATOM 1041 CA GLY A 64 11.786 -2.439 -8.202 1.00 0.00 C ATOM 1042 C GLY A 64 11.685 -3.460 -7.098 1.00 0.00 C ATOM 1043 O GLY A 64 10.579 -3.775 -6.657 1.00 0.00 O ATOM 0 H GLY A 64 9.758 -2.190 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.121 -2.917 -9.123 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.530 -1.685 -7.946 1.00 0.00 H new ATOM 1047 N LEU A 65 12.810 -3.972 -6.635 1.00 0.00 N ATOM 1048 CA LEU A 65 12.795 -4.930 -5.540 1.00 0.00 C ATOM 1049 C LEU A 65 12.654 -4.199 -4.209 1.00 0.00 C ATOM 1050 O LEU A 65 12.094 -4.728 -3.250 1.00 0.00 O ATOM 1051 CB LEU A 65 14.068 -5.774 -5.535 1.00 0.00 C ATOM 1052 CG LEU A 65 14.067 -6.914 -4.517 1.00 0.00 C ATOM 1053 CD1 LEU A 65 13.076 -7.993 -4.925 1.00 0.00 C ATOM 1054 CD2 LEU A 65 15.458 -7.492 -4.365 1.00 0.00 C ATOM 0 H LEU A 65 13.738 -3.745 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 65 11.942 -5.594 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 65 14.216 -6.193 -6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.919 -5.124 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 65 13.757 -6.514 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.089 -8.796 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.075 -7.566 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.353 -8.391 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.438 -8.302 -3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.799 -7.877 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.140 -6.714 -4.023 1.00 0.00 H new ATOM 1066 N ASP A 66 13.166 -2.978 -4.165 1.00 0.00 N ATOM 1067 CA ASP A 66 13.112 -2.166 -2.958 1.00 0.00 C ATOM 1068 C ASP A 66 11.939 -1.199 -3.018 1.00 0.00 C ATOM 1069 O ASP A 66 11.334 -0.876 -1.994 1.00 0.00 O ATOM 1070 CB ASP A 66 14.425 -1.393 -2.782 1.00 0.00 C ATOM 1071 CG ASP A 66 14.433 -0.517 -1.543 1.00 0.00 C ATOM 1072 OD1 ASP A 66 14.559 0.719 -1.682 1.00 0.00 O ATOM 1073 OD2 ASP A 66 14.319 -1.057 -0.423 1.00 0.00 O ATOM 0 H ASP A 66 13.626 -2.526 -4.955 1.00 0.00 H new ATOM 0 HA ASP A 66 12.973 -2.827 -2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.252 -2.100 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.596 -0.772 -3.661 1.00 0.00 H new ATOM 1078 N VAL A 67 11.605 -0.756 -4.223 1.00 0.00 N ATOM 1079 CA VAL A 67 10.536 0.215 -4.407 1.00 0.00 C ATOM 1080 C VAL A 67 9.193 -0.488 -4.570 1.00 0.00 C ATOM 1081 O VAL A 67 8.858 -0.974 -5.655 1.00 0.00 O ATOM 1082 CB VAL A 67 10.786 1.120 -5.633 1.00 0.00 C ATOM 1083 CG1 VAL A 67 9.785 2.268 -5.660 1.00 0.00 C ATOM 1084 CG2 VAL A 67 12.213 1.646 -5.633 1.00 0.00 C ATOM 0 H VAL A 67 12.059 -1.054 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 67 10.518 0.840 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 67 10.647 0.524 -6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.975 2.896 -6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.773 1.867 -5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.890 2.863 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.367 2.281 -6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.387 2.226 -4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.910 0.808 -5.667 1.00 0.00 H new ATOM 1094 N LEU A 68 8.434 -0.544 -3.487 1.00 0.00 N ATOM 1095 CA LEU A 68 7.140 -1.204 -3.493 1.00 0.00 C ATOM 1096 C LEU A 68 6.031 -0.218 -3.155 1.00 0.00 C ATOM 1097 O LEU A 68 6.091 0.486 -2.142 1.00 0.00 O ATOM 1098 CB LEU A 68 7.131 -2.367 -2.496 1.00 0.00 C ATOM 1099 CG LEU A 68 5.804 -3.127 -2.389 1.00 0.00 C ATOM 1100 CD1 LEU A 68 5.454 -3.800 -3.708 1.00 0.00 C ATOM 1101 CD2 LEU A 68 5.872 -4.153 -1.267 1.00 0.00 C ATOM 0 H LEU A 68 8.695 -0.138 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 68 6.962 -1.596 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.913 -3.072 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.390 -1.981 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 68 5.017 -2.409 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.508 -4.332 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.362 -3.045 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.240 -4.506 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.923 -4.685 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.673 -4.863 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.069 -3.646 -0.322 1.00 0.00 H new ATOM 1113 N ILE A 69 5.032 -0.158 -4.019 1.00 0.00 N ATOM 1114 CA ILE A 69 3.862 0.668 -3.784 1.00 0.00 C ATOM 1115 C ILE A 69 2.647 -0.234 -3.589 1.00 0.00 C ATOM 1116 O ILE A 69 2.475 -1.212 -4.316 1.00 0.00 O ATOM 1117 CB ILE A 69 3.622 1.648 -4.957 1.00 0.00 C ATOM 1118 CG1 ILE A 69 4.859 2.530 -5.171 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.395 2.510 -4.693 1.00 0.00 C ATOM 1120 CD1 ILE A 69 4.719 3.517 -6.313 1.00 0.00 C ATOM 0 H ILE A 69 5.009 -0.677 -4.897 1.00 0.00 H new ATOM 0 HA ILE A 69 4.027 1.265 -2.887 1.00 0.00 H new ATOM 0 HB ILE A 69 3.444 1.068 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.065 3.079 -4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.721 1.890 -5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.243 3.192 -5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.519 1.871 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.544 3.084 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.633 4.104 -6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.544 2.975 -7.243 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.878 4.183 -6.118 1.00 0.00 H new ATOM 1132 N ARG A 70 1.824 0.070 -2.595 1.00 0.00 N ATOM 1133 CA ARG A 70 0.692 -0.787 -2.259 1.00 0.00 C ATOM 1134 C ARG A 70 -0.498 0.022 -1.773 1.00 0.00 C ATOM 1135 O ARG A 70 -0.343 1.068 -1.138 1.00 0.00 O ATOM 1136 CB ARG A 70 1.084 -1.798 -1.176 1.00 0.00 C ATOM 1137 CG ARG A 70 1.726 -1.159 0.045 1.00 0.00 C ATOM 1138 CD ARG A 70 1.721 -2.101 1.239 1.00 0.00 C ATOM 1139 NE ARG A 70 0.395 -2.204 1.852 1.00 0.00 N ATOM 1140 CZ ARG A 70 0.190 -2.226 3.170 1.00 0.00 C ATOM 1141 NH1 ARG A 70 1.226 -2.222 4.004 1.00 0.00 N ATOM 1142 NH2 ARG A 70 -1.047 -2.274 3.649 1.00 0.00 N ATOM 0 H ARG A 70 1.917 0.899 -2.009 1.00 0.00 H new ATOM 0 HA ARG A 70 0.408 -1.314 -3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.196 -2.347 -0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.775 -2.525 -1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.752 -0.874 -0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.192 -0.244 0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.051 -3.090 0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.437 -1.749 1.981 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.417 -2.262 1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.177 -2.202 3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.069 -2.239 5.012 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.841 -2.294 3.009 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.203 -2.291 4.657 1.00 0.00 H new ATOM 1156 N MET A 71 -1.684 -0.467 -2.081 1.00 0.00 N ATOM 1157 CA MET A 71 -2.911 0.114 -1.561 1.00 0.00 C ATOM 1158 C MET A 71 -4.001 -0.940 -1.491 1.00 0.00 C ATOM 1159 O MET A 71 -4.100 -1.805 -2.367 1.00 0.00 O ATOM 1160 CB MET A 71 -3.385 1.297 -2.419 1.00 0.00 C ATOM 1161 CG MET A 71 -3.644 0.946 -3.876 1.00 0.00 C ATOM 1162 SD MET A 71 -2.175 1.096 -4.908 1.00 0.00 S ATOM 1163 CE MET A 71 -1.988 2.878 -4.954 1.00 0.00 C ATOM 0 H MET A 71 -1.826 -1.271 -2.693 1.00 0.00 H new ATOM 0 HA MET A 71 -2.701 0.487 -0.559 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.300 1.702 -1.986 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.635 2.087 -2.375 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.021 -0.075 -3.937 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.425 1.598 -4.268 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.416 3.161 -5.837 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.972 3.346 -4.993 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.463 3.212 -4.059 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.799 -0.880 -0.438 1.00 0.00 N ATOM 1174 CA GLU A 72 -5.956 -1.746 -0.313 1.00 0.00 C ATOM 1175 C GLU A 72 -7.107 -1.154 -1.112 1.00 0.00 C ATOM 1176 O GLU A 72 -7.642 -0.096 -0.766 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.363 -1.931 1.154 1.00 0.00 C ATOM 1178 CG GLU A 72 -5.390 -2.771 1.977 1.00 0.00 C ATOM 1179 CD GLU A 72 -4.071 -2.072 2.258 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -3.018 -2.564 1.800 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -4.082 -1.041 2.956 1.00 0.00 O ATOM 0 H GLU A 72 -4.665 -0.238 0.344 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.701 -2.730 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.459 -0.950 1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.347 -2.398 1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.861 -3.034 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.192 -3.704 1.449 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.478 -1.829 -2.182 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.450 -1.299 -3.119 1.00 0.00 C ATOM 1190 C ILE A 73 -9.761 -2.072 -3.063 1.00 0.00 C ATOM 1191 O ILE A 73 -9.847 -3.150 -2.474 1.00 0.00 O ATOM 1192 CB ILE A 73 -7.912 -1.331 -4.568 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.449 -2.744 -4.932 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -6.778 -0.333 -4.740 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.928 -2.880 -6.347 1.00 0.00 C ATOM 0 H ILE A 73 -7.118 -2.752 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.632 -0.265 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.719 -1.048 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.666 -3.048 -4.237 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.282 -3.434 -4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.413 -0.371 -5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.141 0.671 -4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.966 -0.583 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.621 -3.911 -6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.714 -2.610 -7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.073 -2.218 -6.485 1.00 0.00 H new ATOM 1207 N SER A 74 -10.781 -1.496 -3.662 1.00 0.00 N ATOM 1208 CA SER A 74 -12.058 -2.159 -3.823 1.00 0.00 C ATOM 1209 C SER A 74 -12.459 -2.103 -5.282 1.00 0.00 C ATOM 1210 O SER A 74 -12.346 -1.055 -5.915 1.00 0.00 O ATOM 1211 CB SER A 74 -13.124 -1.480 -2.964 1.00 0.00 C ATOM 1212 OG SER A 74 -13.181 -0.089 -3.239 1.00 0.00 O ATOM 0 H SER A 74 -10.749 -0.554 -4.052 1.00 0.00 H new ATOM 0 HA SER A 74 -11.969 -3.197 -3.502 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.096 -1.934 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.902 -1.638 -1.909 1.00 0.00 H new ATOM 0 HG SER A 74 -13.870 0.327 -2.680 1.00 0.00 H new ATOM 1218 N LEU A 75 -12.896 -3.224 -5.823 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.352 -3.267 -7.201 1.00 0.00 C ATOM 1220 C LEU A 75 -14.507 -2.291 -7.399 1.00 0.00 C ATOM 1221 O LEU A 75 -15.531 -2.401 -6.739 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.790 -4.684 -7.561 1.00 0.00 C ATOM 1223 CG LEU A 75 -14.385 -4.839 -8.951 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -13.357 -4.510 -10.023 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -14.946 -6.237 -9.136 1.00 0.00 C ATOM 0 H LEU A 75 -12.945 -4.116 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.531 -2.976 -7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.929 -5.347 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.525 -5.018 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.206 -4.129 -9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.808 -4.629 -11.008 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.020 -3.481 -9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.506 -5.184 -9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.368 -6.330 -10.137 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.148 -6.969 -9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.725 -6.417 -8.395 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.329 -1.325 -8.286 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.361 -0.326 -8.520 1.00 0.00 C ATOM 1239 C ALA A 76 -16.143 -0.631 -9.791 1.00 0.00 C ATOM 1240 O ALA A 76 -17.374 -0.669 -9.776 1.00 0.00 O ATOM 1241 CB ALA A 76 -14.750 1.067 -8.580 1.00 0.00 C ATOM 0 H ALA A 76 -13.488 -1.211 -8.852 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.060 -0.359 -7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.536 1.802 -8.756 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.252 1.287 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.024 1.111 -9.392 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.429 -0.860 -10.888 1.00 0.00 N ATOM 1248 CA TRP A 77 -16.075 -1.146 -12.159 1.00 0.00 C ATOM 1249 C TRP A 77 -15.146 -1.892 -13.112 1.00 0.00 C ATOM 1250 O TRP A 77 -13.934 -1.675 -13.120 1.00 0.00 O ATOM 1251 CB TRP A 77 -16.581 0.148 -12.815 1.00 0.00 C ATOM 1252 CG TRP A 77 -15.539 1.225 -12.951 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.203 2.161 -12.015 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -14.707 1.485 -14.092 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -14.214 2.981 -12.499 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -13.893 2.587 -13.772 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -14.570 0.890 -15.351 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -12.958 3.107 -14.664 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -13.641 1.408 -16.235 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -12.846 2.507 -15.888 1.00 0.00 C ATOM 0 H TRP A 77 -14.410 -0.853 -10.921 1.00 0.00 H new ATOM 0 HA TRP A 77 -16.927 -1.793 -11.950 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -16.972 -0.089 -13.804 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.413 0.537 -12.228 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -15.651 2.244 -11.036 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -13.787 3.757 -11.993 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -15.179 0.042 -15.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -12.343 3.954 -14.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -13.527 0.957 -17.210 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -12.130 2.889 -16.601 1.00 0.00 H new ATOM 1271 N ALA A 78 -15.731 -2.785 -13.896 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.018 -3.476 -14.956 1.00 0.00 C ATOM 1273 C ALA A 78 -15.716 -3.210 -16.285 1.00 0.00 C ATOM 1274 O ALA A 78 -16.856 -3.627 -16.486 1.00 0.00 O ATOM 1275 CB ALA A 78 -14.957 -4.972 -14.673 1.00 0.00 C ATOM 0 H ALA A 78 -16.713 -3.050 -13.814 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.995 -3.103 -15.005 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.419 -5.473 -15.478 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.439 -5.143 -13.729 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -15.969 -5.372 -14.609 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.048 -2.496 -17.178 1.00 0.00 N ATOM 1282 CA ARG A 79 -15.660 -2.091 -18.434 1.00 0.00 C ATOM 1283 C ARG A 79 -14.882 -2.624 -19.636 1.00 0.00 C ATOM 1284 O ARG A 79 -13.863 -2.054 -20.028 1.00 0.00 O ATOM 1285 CB ARG A 79 -15.759 -0.564 -18.513 1.00 0.00 C ATOM 1286 CG ARG A 79 -16.496 -0.061 -19.746 1.00 0.00 C ATOM 1287 CD ARG A 79 -17.972 -0.423 -19.700 1.00 0.00 C ATOM 1288 NE ARG A 79 -18.657 -0.093 -20.947 1.00 0.00 N ATOM 1289 CZ ARG A 79 -19.938 0.260 -21.023 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -20.661 0.410 -19.916 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -20.496 0.485 -22.205 1.00 0.00 N ATOM 0 H ARG A 79 -14.084 -2.186 -17.057 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.662 -2.519 -18.463 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.267 -0.195 -17.622 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.754 -0.143 -18.505 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.388 1.021 -19.819 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.043 -0.488 -20.641 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.077 -1.489 -19.500 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.449 0.105 -18.874 1.00 0.00 H new ATOM 0 HE ARG A 79 -18.120 -0.136 -21.813 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -20.234 0.254 -19.003 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -21.642 0.681 -19.981 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -19.943 0.388 -23.057 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.478 0.755 -22.262 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.352 -3.750 -20.173 1.00 0.00 N ATOM 1306 CA ASP A 80 -14.894 -4.281 -21.467 1.00 0.00 C ATOM 1307 C ASP A 80 -13.402 -4.643 -21.475 1.00 0.00 C ATOM 1308 O ASP A 80 -12.831 -4.952 -22.520 1.00 0.00 O ATOM 1309 CB ASP A 80 -15.203 -3.259 -22.569 1.00 0.00 C ATOM 1310 CG ASP A 80 -15.077 -3.832 -23.964 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -15.937 -4.651 -24.354 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -14.133 -3.452 -24.689 1.00 0.00 O ATOM 0 H ASP A 80 -16.065 -4.326 -19.724 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.433 -5.210 -21.650 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -16.215 -2.878 -22.429 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.526 -2.410 -22.469 1.00 0.00 H new ATOM 1317 N GLY A 81 -12.777 -4.637 -20.309 1.00 0.00 N ATOM 1318 CA GLY A 81 -11.363 -4.939 -20.233 1.00 0.00 C ATOM 1319 C GLY A 81 -10.616 -3.935 -19.383 1.00 0.00 C ATOM 1320 O GLY A 81 -9.540 -4.223 -18.861 1.00 0.00 O ATOM 0 H GLY A 81 -13.222 -4.429 -19.415 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.227 -5.938 -19.819 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.940 -4.950 -21.237 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.188 -2.748 -19.246 1.00 0.00 N ATOM 1325 CA LEU A 82 -10.615 -1.730 -18.382 1.00 0.00 C ATOM 1326 C LEU A 82 -11.243 -1.821 -17.004 1.00 0.00 C ATOM 1327 O LEU A 82 -12.434 -1.573 -16.842 1.00 0.00 O ATOM 1328 CB LEU A 82 -10.836 -0.337 -18.971 1.00 0.00 C ATOM 1329 CG LEU A 82 -10.113 -0.069 -20.291 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -10.475 1.308 -20.827 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -8.608 -0.193 -20.104 1.00 0.00 C ATOM 0 H LEU A 82 -12.046 -2.468 -19.721 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.541 -1.900 -18.301 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.905 -0.190 -19.124 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.513 0.405 -18.241 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.433 -0.814 -21.020 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -9.951 1.482 -21.767 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.551 1.362 -20.996 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.183 2.069 -20.103 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.106 0.000 -21.052 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.273 0.531 -19.362 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.365 -1.200 -19.764 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.457 -2.196 -16.015 1.00 0.00 N ATOM 1344 CA LEU A 83 -10.977 -2.347 -14.668 1.00 0.00 C ATOM 1345 C LEU A 83 -10.471 -1.239 -13.765 1.00 0.00 C ATOM 1346 O LEU A 83 -9.264 -1.084 -13.566 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.614 -3.710 -14.079 1.00 0.00 C ATOM 1348 CG LEU A 83 -11.282 -4.915 -14.744 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -10.518 -5.361 -15.976 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -11.415 -6.054 -13.756 1.00 0.00 C ATOM 0 H LEU A 83 -9.463 -2.401 -16.115 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.063 -2.280 -14.730 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.533 -3.836 -14.140 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.875 -3.710 -13.021 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.279 -4.612 -15.066 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.019 -6.219 -16.424 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.482 -4.544 -16.697 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.503 -5.641 -15.693 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.892 -6.904 -14.243 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.426 -6.346 -13.402 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.023 -5.733 -12.910 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.402 -0.477 -13.226 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.057 0.591 -12.326 1.00 0.00 C ATOM 1364 C GLY A 84 -11.328 0.212 -10.890 1.00 0.00 C ATOM 1365 O GLY A 84 -12.475 -0.022 -10.504 1.00 0.00 O ATOM 0 H GLY A 84 -12.402 -0.582 -13.399 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.003 0.842 -12.445 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.628 1.483 -12.582 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.273 0.117 -10.107 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.396 -0.178 -8.692 1.00 0.00 C ATOM 1371 C PHE A 85 -10.275 1.109 -7.902 1.00 0.00 C ATOM 1372 O PHE A 85 -9.489 1.980 -8.254 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.314 -1.162 -8.240 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.369 -2.500 -8.927 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -8.789 -2.686 -10.174 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -9.993 -3.577 -8.319 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -8.837 -3.918 -10.799 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -10.042 -4.810 -8.941 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.463 -4.980 -10.182 1.00 0.00 C ATOM 0 H PHE A 85 -9.313 0.241 -10.429 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.369 -0.636 -8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.336 -0.715 -8.418 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.404 -1.315 -7.165 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.295 -1.859 -10.662 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.447 -3.451 -7.347 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.384 -4.049 -11.771 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -10.533 -5.640 -8.456 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.500 -5.943 -10.669 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.056 1.237 -6.851 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.000 2.418 -6.010 1.00 0.00 C ATOM 1391 C GLU A 86 -10.058 2.184 -4.834 1.00 0.00 C ATOM 1392 O GLU A 86 -10.205 1.205 -4.100 1.00 0.00 O ATOM 1393 CB GLU A 86 -12.398 2.774 -5.506 1.00 0.00 C ATOM 1394 CG GLU A 86 -12.435 4.033 -4.657 1.00 0.00 C ATOM 1395 CD GLU A 86 -13.817 4.337 -4.122 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -14.542 5.136 -4.750 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -14.182 3.782 -3.069 1.00 0.00 O ATOM 0 H GLU A 86 -11.738 0.538 -6.557 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.619 3.251 -6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.062 2.903 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.788 1.940 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.743 3.924 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.086 4.877 -5.252 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.083 3.066 -4.670 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.137 2.966 -3.567 1.00 0.00 C ATOM 1406 C CYS A 87 -8.799 3.379 -2.255 1.00 0.00 C ATOM 1407 O CYS A 87 -9.090 4.555 -2.045 1.00 0.00 O ATOM 1408 CB CYS A 87 -6.913 3.844 -3.840 1.00 0.00 C ATOM 1409 SG CYS A 87 -5.997 3.386 -5.332 1.00 0.00 S ATOM 0 H CYS A 87 -8.926 3.862 -5.289 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.815 1.928 -3.480 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.235 4.882 -3.928 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -6.242 3.790 -2.983 1.00 0.00 H new ATOM 0 HG CYS A 87 -4.982 4.185 -5.481 1.00 0.00 H new ATOM 1415 N GLN A 88 -9.048 2.407 -1.384 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.656 2.684 -0.090 1.00 0.00 C ATOM 1417 C GLN A 88 -8.593 3.156 0.890 1.00 0.00 C ATOM 1418 O GLN A 88 -8.638 4.284 1.378 1.00 0.00 O ATOM 1419 CB GLN A 88 -10.355 1.440 0.468 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.417 0.865 -0.452 1.00 0.00 C ATOM 1421 CD GLN A 88 -12.203 -0.255 0.199 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -11.719 -1.479 0.062 1.00 0.00 O flip ATOM 1423 NE2 GLN A 88 -13.237 -0.020 0.826 1.00 0.00 N flip ATOM 0 H GLN A 88 -8.838 1.423 -1.551 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.403 3.466 -0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.606 0.673 0.666 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.814 1.692 1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.102 1.658 -0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.943 0.492 -1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -13.577 0.938 0.908 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.753 -0.784 1.263 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.625 2.291 1.157 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.536 2.625 2.058 1.00 0.00 C ATOM 1434 C HIS A 89 -5.215 2.614 1.313 1.00 0.00 C ATOM 1435 O HIS A 89 -4.717 1.557 0.934 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.474 1.650 3.243 1.00 0.00 C ATOM 1437 CG HIS A 89 -5.371 1.957 4.221 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -4.049 1.645 4.204 1.00 0.00 N flip ATOM 1439 CD2 HIS A 89 -5.570 2.680 5.376 1.00 0.00 C flip ATOM 1440 CE1 HIS A 89 -3.488 2.183 5.331 1.00 0.00 C flip ATOM 1441 NE2 HIS A 89 -4.424 2.801 6.023 1.00 0.00 N flip ATOM 0 H HIS A 89 -7.573 1.352 0.761 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.721 3.626 2.448 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.429 1.669 3.768 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.339 0.637 2.863 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -3.564 1.109 3.484 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -6.516 3.085 5.703 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -2.447 2.112 5.608 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.657 3.786 1.096 1.00 0.00 N ATOM 1451 CA ILE A 90 -3.340 3.891 0.503 1.00 0.00 C ATOM 1452 C ILE A 90 -2.329 4.123 1.614 1.00 0.00 C ATOM 1453 O ILE A 90 -2.497 5.037 2.422 1.00 0.00 O ATOM 1454 CB ILE A 90 -3.230 5.036 -0.536 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -4.411 5.029 -1.517 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -1.921 4.915 -1.302 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -5.649 5.732 -0.995 1.00 0.00 C ATOM 0 H ILE A 90 -5.094 4.680 1.321 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.143 2.961 -0.031 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.253 5.981 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.100 5.505 -2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.665 3.996 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.850 5.723 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.085 4.980 -0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.889 3.956 -1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.438 5.684 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.987 5.243 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.413 6.775 -0.783 1.00 0.00 H new ATOM 1469 N ASP A 91 -1.311 3.279 1.680 1.00 0.00 N ATOM 1470 CA ASP A 91 -0.296 3.394 2.722 1.00 0.00 C ATOM 1471 C ASP A 91 0.415 4.742 2.633 1.00 0.00 C ATOM 1472 O ASP A 91 0.643 5.257 1.539 1.00 0.00 O ATOM 1473 CB ASP A 91 0.717 2.253 2.614 1.00 0.00 C ATOM 1474 CG ASP A 91 1.762 2.310 3.707 1.00 0.00 C ATOM 1475 OD1 ASP A 91 1.471 1.866 4.834 1.00 0.00 O ATOM 1476 OD2 ASP A 91 2.876 2.806 3.444 1.00 0.00 O ATOM 0 H ASP A 91 -1.164 2.509 1.028 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.793 3.327 3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.193 1.299 2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.208 2.296 1.642 1.00 0.00 H new ATOM 1481 N LEU A 92 0.763 5.303 3.786 1.00 0.00 N ATOM 1482 CA LEU A 92 1.387 6.624 3.847 1.00 0.00 C ATOM 1483 C LEU A 92 2.690 6.653 3.058 1.00 0.00 C ATOM 1484 O LEU A 92 2.966 7.608 2.329 1.00 0.00 O ATOM 1485 CB LEU A 92 1.652 7.037 5.302 1.00 0.00 C ATOM 1486 CG LEU A 92 0.416 7.406 6.135 1.00 0.00 C ATOM 1487 CD1 LEU A 92 -0.436 6.184 6.436 1.00 0.00 C ATOM 1488 CD2 LEU A 92 0.833 8.088 7.430 1.00 0.00 C ATOM 0 H LEU A 92 0.624 4.863 4.696 1.00 0.00 H new ATOM 0 HA LEU A 92 0.693 7.335 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.171 6.219 5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.331 7.890 5.298 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.186 8.099 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.302 6.481 7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.771 5.735 5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.154 5.458 6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.055 8.343 8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.463 7.414 8.010 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.390 8.996 7.200 1.00 0.00 H new ATOM 1500 N ASP A 93 3.477 5.594 3.187 1.00 0.00 N ATOM 1501 CA ASP A 93 4.749 5.496 2.487 1.00 0.00 C ATOM 1502 C ASP A 93 4.518 5.217 1.006 1.00 0.00 C ATOM 1503 O ASP A 93 5.310 5.608 0.150 1.00 0.00 O ATOM 1504 CB ASP A 93 5.609 4.400 3.113 1.00 0.00 C ATOM 1505 CG ASP A 93 6.922 4.203 2.392 1.00 0.00 C ATOM 1506 OD1 ASP A 93 7.766 5.129 2.420 1.00 0.00 O ATOM 1507 OD2 ASP A 93 7.125 3.113 1.815 1.00 0.00 O ATOM 0 H ASP A 93 3.255 4.788 3.772 1.00 0.00 H new ATOM 0 HA ASP A 93 5.276 6.446 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.806 4.650 4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.054 3.462 3.110 1.00 0.00 H new ATOM 1512 N SER A 94 3.414 4.545 0.718 1.00 0.00 N ATOM 1513 CA SER A 94 2.991 4.304 -0.646 1.00 0.00 C ATOM 1514 C SER A 94 2.707 5.638 -1.338 1.00 0.00 C ATOM 1515 O SER A 94 3.133 5.866 -2.473 1.00 0.00 O ATOM 1516 CB SER A 94 1.745 3.413 -0.635 1.00 0.00 C ATOM 1517 OG SER A 94 1.374 3.005 -1.934 1.00 0.00 O ATOM 0 H SER A 94 2.790 4.154 1.424 1.00 0.00 H new ATOM 0 HA SER A 94 3.779 3.794 -1.200 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.934 2.534 -0.019 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.918 3.953 -0.175 1.00 0.00 H new ATOM 0 HG SER A 94 0.646 2.352 -1.876 1.00 0.00 H new ATOM 1523 N ILE A 95 2.018 6.531 -0.628 1.00 0.00 N ATOM 1524 CA ILE A 95 1.697 7.852 -1.158 1.00 0.00 C ATOM 1525 C ILE A 95 2.958 8.679 -1.370 1.00 0.00 C ATOM 1526 O ILE A 95 3.138 9.285 -2.424 1.00 0.00 O ATOM 1527 CB ILE A 95 0.738 8.629 -0.228 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.549 7.835 -0.002 1.00 0.00 C ATOM 1529 CG2 ILE A 95 0.423 9.998 -0.820 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -1.511 8.489 0.968 1.00 0.00 C ATOM 0 H ILE A 95 1.672 6.362 0.316 1.00 0.00 H new ATOM 0 HA ILE A 95 1.202 7.689 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 95 1.227 8.771 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.052 7.696 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.292 6.843 0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.253 10.535 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.346 10.566 -0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.049 9.873 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.399 7.866 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.028 8.603 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.799 9.469 0.589 1.00 0.00 H new ATOM 1542 N SER A 96 3.836 8.698 -0.373 1.00 0.00 N ATOM 1543 CA SER A 96 5.064 9.471 -0.471 1.00 0.00 C ATOM 1544 C SER A 96 5.935 8.951 -1.610 1.00 0.00 C ATOM 1545 O SER A 96 6.477 9.735 -2.385 1.00 0.00 O ATOM 1546 CB SER A 96 5.823 9.452 0.858 1.00 0.00 C ATOM 1547 OG SER A 96 6.023 8.129 1.319 1.00 0.00 O ATOM 0 H SER A 96 3.720 8.191 0.504 1.00 0.00 H new ATOM 0 HA SER A 96 4.804 10.506 -0.692 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.787 9.946 0.735 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.267 10.019 1.605 1.00 0.00 H new ATOM 0 HG SER A 96 5.569 7.501 0.719 1.00 0.00 H new ATOM 1553 N HIS A 97 6.041 7.628 -1.727 1.00 0.00 N ATOM 1554 CA HIS A 97 6.786 7.016 -2.827 1.00 0.00 C ATOM 1555 C HIS A 97 6.206 7.438 -4.169 1.00 0.00 C ATOM 1556 O HIS A 97 6.939 7.848 -5.068 1.00 0.00 O ATOM 1557 CB HIS A 97 6.768 5.489 -2.729 1.00 0.00 C ATOM 1558 CG HIS A 97 7.739 4.918 -1.742 1.00 0.00 C ATOM 1559 ND1 HIS A 97 8.786 5.633 -1.203 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.831 3.676 -1.221 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.480 4.853 -0.397 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.923 3.660 -0.390 1.00 0.00 N ATOM 0 H HIS A 97 5.623 6.962 -1.077 1.00 0.00 H new ATOM 0 HA HIS A 97 7.817 7.361 -2.752 1.00 0.00 H new ATOM 0 HB2 HIS A 97 5.763 5.167 -2.458 1.00 0.00 H new ATOM 0 HB3 HIS A 97 6.982 5.072 -3.713 1.00 0.00 H new ATOM 0 HD2 HIS A 97 7.168 2.848 -1.421 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.357 5.144 0.163 1.00 0.00 H new ATOM 0 HE2 HIS A 97 9.250 2.856 0.145 1.00 0.00 H new ATOM 1571 N LEU A 98 4.886 7.337 -4.290 1.00 0.00 N ATOM 1572 CA LEU A 98 4.197 7.712 -5.519 1.00 0.00 C ATOM 1573 C LEU A 98 4.463 9.177 -5.852 1.00 0.00 C ATOM 1574 O LEU A 98 4.821 9.512 -6.980 1.00 0.00 O ATOM 1575 CB LEU A 98 2.688 7.472 -5.375 1.00 0.00 C ATOM 1576 CG LEU A 98 1.852 7.793 -6.618 1.00 0.00 C ATOM 1577 CD1 LEU A 98 2.223 6.866 -7.764 1.00 0.00 C ATOM 1578 CD2 LEU A 98 0.366 7.688 -6.304 1.00 0.00 C ATOM 0 H LEU A 98 4.271 6.998 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 98 4.578 7.094 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.527 6.427 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.319 8.073 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 98 2.067 8.817 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.619 7.109 -8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.278 6.991 -8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.038 5.833 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.212 7.919 -7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.134 6.675 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.110 8.394 -5.514 1.00 0.00 H new ATOM 1590 N ARG A 99 4.312 10.036 -4.849 1.00 0.00 N ATOM 1591 CA ARG A 99 4.491 11.468 -5.027 1.00 0.00 C ATOM 1592 C ARG A 99 5.923 11.802 -5.432 1.00 0.00 C ATOM 1593 O ARG A 99 6.139 12.553 -6.379 1.00 0.00 O ATOM 1594 CB ARG A 99 4.126 12.227 -3.748 1.00 0.00 C ATOM 1595 CG ARG A 99 4.217 13.736 -3.909 1.00 0.00 C ATOM 1596 CD ARG A 99 3.182 14.247 -4.897 1.00 0.00 C ATOM 1597 NE ARG A 99 3.703 15.338 -5.722 1.00 0.00 N ATOM 1598 CZ ARG A 99 2.985 16.390 -6.115 1.00 0.00 C ATOM 1599 NH1 ARG A 99 1.712 16.505 -5.757 1.00 0.00 N ATOM 1600 NH2 ARG A 99 3.550 17.323 -6.872 1.00 0.00 N ATOM 0 H ARG A 99 4.064 9.760 -3.899 1.00 0.00 H new ATOM 0 HA ARG A 99 3.822 11.781 -5.829 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.113 11.959 -3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.790 11.912 -2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.069 14.217 -2.942 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.216 14.008 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.860 13.428 -5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.302 14.591 -4.354 1.00 0.00 H new ATOM 0 HE ARG A 99 4.679 15.290 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.278 15.786 -5.178 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.168 17.312 -6.061 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.527 17.232 -7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.007 18.131 -7.176 1.00 0.00 H new ATOM 1614 N ARG A 100 6.896 11.243 -4.718 1.00 0.00 N ATOM 1615 CA ARG A 100 8.303 11.524 -5.000 1.00 0.00 C ATOM 1616 C ARG A 100 8.692 11.000 -6.379 1.00 0.00 C ATOM 1617 O ARG A 100 9.497 11.611 -7.082 1.00 0.00 O ATOM 1618 CB ARG A 100 9.218 10.919 -3.929 1.00 0.00 C ATOM 1619 CG ARG A 100 8.981 11.477 -2.531 1.00 0.00 C ATOM 1620 CD ARG A 100 9.035 12.997 -2.513 1.00 0.00 C ATOM 1621 NE ARG A 100 10.335 13.513 -2.939 1.00 0.00 N ATOM 1622 CZ ARG A 100 10.569 14.792 -3.226 1.00 0.00 C ATOM 1623 NH1 ARG A 100 9.597 15.692 -3.132 1.00 0.00 N ATOM 1624 NH2 ARG A 100 11.784 15.171 -3.599 1.00 0.00 N ATOM 0 H ARG A 100 6.739 10.597 -3.945 1.00 0.00 H new ATOM 0 HA ARG A 100 8.431 12.606 -4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.073 9.839 -3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.256 11.096 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.009 11.143 -2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 100 9.732 11.078 -1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.258 13.393 -3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.818 13.354 -1.506 1.00 0.00 H new ATOM 0 HE ARG A 100 11.109 12.854 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.663 15.405 -2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.784 16.670 -3.354 1.00 0.00 H new ATOM 0 HH21 ARG A 100 12.535 14.484 -3.665 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.968 16.150 -3.820 1.00 0.00 H new ATOM 1638 N LEU A 101 8.105 9.873 -6.763 1.00 0.00 N ATOM 1639 CA LEU A 101 8.322 9.317 -8.090 1.00 0.00 C ATOM 1640 C LEU A 101 7.845 10.307 -9.149 1.00 0.00 C ATOM 1641 O LEU A 101 8.518 10.529 -10.156 1.00 0.00 O ATOM 1642 CB LEU A 101 7.584 7.983 -8.238 1.00 0.00 C ATOM 1643 CG LEU A 101 7.822 7.247 -9.558 1.00 0.00 C ATOM 1644 CD1 LEU A 101 9.300 6.938 -9.738 1.00 0.00 C ATOM 1645 CD2 LEU A 101 7.000 5.967 -9.604 1.00 0.00 C ATOM 0 H LEU A 101 7.476 9.328 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 101 9.388 9.136 -8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.881 7.329 -7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.515 8.164 -8.130 1.00 0.00 H new ATOM 0 HG LEU A 101 7.505 7.893 -10.377 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.450 6.414 -10.682 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.868 7.868 -9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.643 6.309 -8.916 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.179 5.453 -10.549 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.290 5.318 -8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.941 6.211 -9.519 1.00 0.00 H new ATOM 1657 N VAL A 102 6.687 10.905 -8.891 1.00 0.00 N ATOM 1658 CA VAL A 102 6.119 11.926 -9.764 1.00 0.00 C ATOM 1659 C VAL A 102 7.071 13.110 -9.915 1.00 0.00 C ATOM 1660 O VAL A 102 7.261 13.630 -11.015 1.00 0.00 O ATOM 1661 CB VAL A 102 4.756 12.414 -9.220 1.00 0.00 C ATOM 1662 CG1 VAL A 102 4.296 13.682 -9.923 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.712 11.314 -9.358 1.00 0.00 C ATOM 0 H VAL A 102 6.116 10.696 -8.072 1.00 0.00 H new ATOM 0 HA VAL A 102 5.967 11.476 -10.745 1.00 0.00 H new ATOM 0 HB VAL A 102 4.881 12.653 -8.164 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.335 13.996 -9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.031 14.471 -9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.191 13.489 -10.991 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.756 11.669 -8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.602 11.047 -10.409 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.029 10.438 -8.792 1.00 0.00 H new ATOM 1673 N GLU A 103 7.683 13.517 -8.811 1.00 0.00 N ATOM 1674 CA GLU A 103 8.626 14.630 -8.823 1.00 0.00 C ATOM 1675 C GLU A 103 9.822 14.305 -9.723 1.00 0.00 C ATOM 1676 O GLU A 103 10.366 15.180 -10.397 1.00 0.00 O ATOM 1677 CB GLU A 103 9.136 14.919 -7.409 1.00 0.00 C ATOM 1678 CG GLU A 103 8.060 14.939 -6.327 1.00 0.00 C ATOM 1679 CD GLU A 103 7.137 16.142 -6.392 1.00 0.00 C ATOM 1680 OE1 GLU A 103 7.473 17.184 -5.788 1.00 0.00 O ATOM 1681 OE2 GLU A 103 6.050 16.039 -6.992 1.00 0.00 O ATOM 0 H GLU A 103 7.544 13.093 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 103 8.105 15.507 -9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.880 14.167 -7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.645 15.883 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.462 14.031 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.542 14.917 -5.350 1.00 0.00 H new ATOM 1688 N LEU A 104 10.217 13.034 -9.733 1.00 0.00 N ATOM 1689 CA LEU A 104 11.417 12.601 -10.443 1.00 0.00 C ATOM 1690 C LEU A 104 11.175 12.447 -11.943 1.00 0.00 C ATOM 1691 O LEU A 104 12.018 12.838 -12.754 1.00 0.00 O ATOM 1692 CB LEU A 104 11.925 11.275 -9.869 1.00 0.00 C ATOM 1693 CG LEU A 104 12.326 11.309 -8.394 1.00 0.00 C ATOM 1694 CD1 LEU A 104 12.763 9.929 -7.928 1.00 0.00 C ATOM 1695 CD2 LEU A 104 13.434 12.326 -8.165 1.00 0.00 C ATOM 0 H LEU A 104 9.720 12.283 -9.255 1.00 0.00 H new ATOM 0 HA LEU A 104 12.169 13.378 -10.303 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.149 10.521 -10.000 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.786 10.951 -10.454 1.00 0.00 H new ATOM 0 HG LEU A 104 11.457 11.610 -7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.045 9.973 -6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.941 9.225 -8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.617 9.599 -8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.706 12.336 -7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.305 12.056 -8.762 1.00 0.00 H new ATOM 0 HD23 LEU A 104 13.086 13.316 -8.459 1.00 0.00 H new ATOM 1707 N ASN A 105 10.039 11.871 -12.318 1.00 0.00 N ATOM 1708 CA ASN A 105 9.758 11.612 -13.731 1.00 0.00 C ATOM 1709 C ASN A 105 8.869 12.694 -14.337 1.00 0.00 C ATOM 1710 O ASN A 105 8.568 12.658 -15.532 1.00 0.00 O ATOM 1711 CB ASN A 105 9.127 10.223 -13.936 1.00 0.00 C ATOM 1712 CG ASN A 105 7.842 10.009 -13.153 1.00 0.00 C ATOM 1713 OD1 ASN A 105 7.096 10.946 -12.870 1.00 0.00 O ATOM 1714 ND2 ASN A 105 7.570 8.763 -12.799 1.00 0.00 N ATOM 0 H ASN A 105 9.304 11.576 -11.675 1.00 0.00 H new ATOM 0 HA ASN A 105 10.716 11.631 -14.251 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.922 10.081 -14.997 1.00 0.00 H new ATOM 0 HB3 ASN A 105 9.849 9.460 -13.646 1.00 0.00 H new ATOM 0 HD21 ASN A 105 6.720 8.556 -12.275 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.211 8.010 -13.050 1.00 0.00 H new ATOM 1721 N LEU A 106 8.461 13.649 -13.502 1.00 0.00 N ATOM 1722 CA LEU A 106 7.638 14.783 -13.934 1.00 0.00 C ATOM 1723 C LEU A 106 6.271 14.342 -14.447 1.00 0.00 C ATOM 1724 O LEU A 106 5.682 15.004 -15.311 1.00 0.00 O ATOM 1725 CB LEU A 106 8.344 15.620 -15.005 1.00 0.00 C ATOM 1726 CG LEU A 106 9.265 16.717 -14.473 1.00 0.00 C ATOM 1727 CD1 LEU A 106 10.510 16.125 -13.836 1.00 0.00 C ATOM 1728 CD2 LEU A 106 9.633 17.678 -15.587 1.00 0.00 C ATOM 0 H LEU A 106 8.690 13.660 -12.508 1.00 0.00 H new ATOM 0 HA LEU A 106 7.487 15.400 -13.048 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.929 14.952 -15.638 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.587 16.080 -15.641 1.00 0.00 H new ATOM 0 HG LEU A 106 8.730 17.269 -13.701 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.147 16.929 -13.466 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.222 15.479 -13.006 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.056 15.542 -14.577 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.289 18.455 -15.195 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.146 17.135 -16.381 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.728 18.135 -15.987 1.00 0.00 H new ATOM 1740 N GLY A 107 5.763 13.247 -13.903 1.00 0.00 N ATOM 1741 CA GLY A 107 4.406 12.834 -14.197 1.00 0.00 C ATOM 1742 C GLY A 107 3.410 13.704 -13.461 1.00 0.00 C ATOM 1743 O GLY A 107 2.764 13.247 -12.520 1.00 0.00 O ATOM 0 H GLY A 107 6.267 12.635 -13.261 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.226 12.895 -15.270 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.268 11.792 -13.910 1.00 0.00 H new ATOM 1747 N ASP A 108 3.308 14.956 -13.915 1.00 0.00 N ATOM 1748 CA ASP A 108 2.572 16.024 -13.227 1.00 0.00 C ATOM 1749 C ASP A 108 1.299 15.550 -12.531 1.00 0.00 C ATOM 1750 O ASP A 108 0.506 14.776 -13.078 1.00 0.00 O ATOM 1751 CB ASP A 108 2.226 17.144 -14.200 1.00 0.00 C ATOM 1752 CG ASP A 108 1.655 18.348 -13.481 1.00 0.00 C ATOM 1753 OD1 ASP A 108 2.440 19.144 -12.927 1.00 0.00 O ATOM 1754 OD2 ASP A 108 0.421 18.499 -13.454 1.00 0.00 O ATOM 0 H ASP A 108 3.741 15.263 -14.786 1.00 0.00 H new ATOM 0 HA ASP A 108 3.242 16.386 -12.447 1.00 0.00 H new ATOM 0 HB2 ASP A 108 3.120 17.438 -14.751 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.505 16.781 -14.933 1.00 0.00 H new ATOM 1759 N GLU A 109 1.105 16.084 -11.332 1.00 0.00 N ATOM 1760 CA GLU A 109 0.044 15.663 -10.431 1.00 0.00 C ATOM 1761 C GLU A 109 -1.352 15.985 -10.964 1.00 0.00 C ATOM 1762 O GLU A 109 -2.337 15.487 -10.430 1.00 0.00 O ATOM 1763 CB GLU A 109 0.248 16.332 -9.073 1.00 0.00 C ATOM 1764 CG GLU A 109 0.194 17.850 -9.136 1.00 0.00 C ATOM 1765 CD GLU A 109 0.652 18.502 -7.855 1.00 0.00 C ATOM 1766 OE1 GLU A 109 1.705 19.176 -7.871 1.00 0.00 O ATOM 1767 OE2 GLU A 109 -0.019 18.327 -6.819 1.00 0.00 O ATOM 0 H GLU A 109 1.688 16.831 -10.955 1.00 0.00 H new ATOM 0 HA GLU A 109 0.102 14.578 -10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.517 15.977 -8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.212 16.026 -8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.818 18.198 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.827 18.165 -9.354 1.00 0.00 H new ATOM 1774 N GLU A 110 -1.446 16.805 -12.008 1.00 0.00 N ATOM 1775 CA GLU A 110 -2.743 17.136 -12.589 1.00 0.00 C ATOM 1776 C GLU A 110 -3.466 15.859 -13.005 1.00 0.00 C ATOM 1777 O GLU A 110 -4.678 15.718 -12.818 1.00 0.00 O ATOM 1778 CB GLU A 110 -2.575 18.071 -13.790 1.00 0.00 C ATOM 1779 CG GLU A 110 -3.889 18.605 -14.342 1.00 0.00 C ATOM 1780 CD GLU A 110 -4.196 18.095 -15.736 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -4.818 17.020 -15.859 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -3.832 18.778 -16.717 1.00 0.00 O ATOM 0 H GLU A 110 -0.649 17.248 -12.464 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.341 17.653 -11.838 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.946 18.912 -13.499 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -2.049 17.539 -14.582 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.700 18.323 -13.671 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.854 19.694 -14.359 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.698 14.912 -13.526 1.00 0.00 N ATOM 1790 CA LEU A 111 -3.246 13.639 -13.966 1.00 0.00 C ATOM 1791 C LEU A 111 -3.638 12.779 -12.765 1.00 0.00 C ATOM 1792 O LEU A 111 -4.551 11.961 -12.844 1.00 0.00 O ATOM 1793 CB LEU A 111 -2.228 12.901 -14.835 1.00 0.00 C ATOM 1794 CG LEU A 111 -1.667 13.713 -16.007 1.00 0.00 C ATOM 1795 CD1 LEU A 111 -0.555 12.946 -16.705 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -2.773 14.065 -16.994 1.00 0.00 C ATOM 0 H LEU A 111 -1.690 15.003 -13.654 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.141 13.833 -14.558 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.399 12.581 -14.204 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.695 11.998 -15.229 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.251 14.640 -15.612 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.169 13.539 -17.534 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.249 12.746 -15.997 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.947 12.002 -17.085 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.355 14.642 -17.819 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.220 13.149 -17.381 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.537 14.656 -16.489 1.00 0.00 H new ATOM 1808 N LEU A 112 -2.958 12.996 -11.645 1.00 0.00 N ATOM 1809 CA LEU A 112 -3.238 12.262 -10.416 1.00 0.00 C ATOM 1810 C LEU A 112 -4.489 12.804 -9.742 1.00 0.00 C ATOM 1811 O LEU A 112 -5.115 12.127 -8.926 1.00 0.00 O ATOM 1812 CB LEU A 112 -2.066 12.374 -9.441 1.00 0.00 C ATOM 1813 CG LEU A 112 -0.756 11.746 -9.904 1.00 0.00 C ATOM 1814 CD1 LEU A 112 0.346 12.049 -8.907 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -0.919 10.245 -10.074 1.00 0.00 C ATOM 0 H LEU A 112 -2.204 13.678 -11.563 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.391 11.216 -10.683 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.888 13.430 -9.235 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.356 11.910 -8.498 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.483 12.174 -10.869 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.278 11.596 -9.246 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.476 13.128 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.078 11.640 -7.933 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.025 9.812 -10.405 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.208 9.800 -9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.691 10.045 -10.817 1.00 0.00 H new ATOM 1827 N GLU A 113 -4.863 14.019 -10.106 1.00 0.00 N ATOM 1828 CA GLU A 113 -5.956 14.713 -9.448 1.00 0.00 C ATOM 1829 C GLU A 113 -7.221 14.629 -10.279 1.00 0.00 C ATOM 1830 O GLU A 113 -8.155 15.409 -10.087 1.00 0.00 O ATOM 1831 CB GLU A 113 -5.600 16.178 -9.201 1.00 0.00 C ATOM 1832 CG GLU A 113 -4.399 16.379 -8.293 1.00 0.00 C ATOM 1833 CD GLU A 113 -4.564 15.718 -6.939 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -3.730 14.860 -6.588 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -5.518 16.069 -6.213 1.00 0.00 O ATOM 0 H GLU A 113 -4.422 14.548 -10.859 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.129 14.226 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.403 16.659 -10.159 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.462 16.681 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.510 15.979 -8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -4.231 17.447 -8.152 1.00 0.00 H new ATOM 1842 N ARG A 114 -7.257 13.681 -11.205 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.463 13.461 -11.987 1.00 0.00 C ATOM 1844 C ARG A 114 -9.448 12.658 -11.139 1.00 0.00 C ATOM 1845 O ARG A 114 -9.330 12.616 -9.917 1.00 0.00 O ATOM 1846 CB ARG A 114 -8.143 12.730 -13.305 1.00 0.00 C ATOM 1847 CG ARG A 114 -7.010 13.373 -14.101 1.00 0.00 C ATOM 1848 CD ARG A 114 -6.942 12.877 -15.547 1.00 0.00 C ATOM 1849 NE ARG A 114 -6.904 11.415 -15.657 1.00 0.00 N ATOM 1850 CZ ARG A 114 -5.804 10.698 -15.903 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -4.630 11.290 -16.032 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -5.882 9.385 -16.036 1.00 0.00 N ATOM 0 H ARG A 114 -6.478 13.062 -11.430 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.906 14.420 -12.255 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.878 11.696 -13.082 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.040 12.703 -13.923 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -7.140 14.455 -14.099 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.061 13.165 -13.606 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.806 13.253 -16.094 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -6.056 13.294 -16.026 1.00 0.00 H new ATOM 0 HE ARG A 114 -7.781 10.909 -15.537 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.558 12.304 -15.944 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.796 10.733 -16.220 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -6.784 8.916 -15.951 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -5.040 8.841 -16.224 1.00 0.00 H new ATOM 1866 N GLU A 115 -10.413 12.026 -11.766 1.00 0.00 N ATOM 1867 CA GLU A 115 -11.314 11.137 -11.055 1.00 0.00 C ATOM 1868 C GLU A 115 -11.122 9.737 -11.627 1.00 0.00 C ATOM 1869 O GLU A 115 -10.624 9.606 -12.736 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.766 11.611 -11.224 1.00 0.00 C ATOM 1871 CG GLU A 115 -13.670 11.331 -10.027 1.00 0.00 C ATOM 1872 CD GLU A 115 -13.755 9.862 -9.683 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -14.502 9.130 -10.364 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -13.037 9.422 -8.759 1.00 0.00 O ATOM 0 H GLU A 115 -10.597 12.108 -12.766 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.097 11.134 -9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.764 12.684 -11.418 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -13.191 11.129 -12.104 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.299 11.880 -9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.671 11.708 -10.238 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.487 8.700 -10.881 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.370 7.327 -11.369 1.00 0.00 C ATOM 1883 C LEU A 116 -12.169 7.154 -12.662 1.00 0.00 C ATOM 1884 O LEU A 116 -11.768 6.416 -13.558 1.00 0.00 O ATOM 1885 CB LEU A 116 -11.850 6.336 -10.301 1.00 0.00 C ATOM 1886 CG LEU A 116 -11.765 4.857 -10.690 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -10.326 4.455 -10.985 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.343 3.986 -9.586 1.00 0.00 C ATOM 0 H LEU A 116 -11.866 8.782 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.321 7.121 -11.581 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.262 6.490 -9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.885 6.570 -10.052 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.352 4.709 -11.596 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.292 3.401 -11.259 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.942 5.057 -11.809 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.713 4.620 -10.099 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.276 2.938 -9.877 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.781 4.144 -8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.388 4.251 -9.423 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.289 7.865 -12.758 1.00 0.00 N ATOM 1901 CA ALA A 117 -14.101 7.861 -13.974 1.00 0.00 C ATOM 1902 C ALA A 117 -13.429 8.648 -15.104 1.00 0.00 C ATOM 1903 O ALA A 117 -13.863 8.590 -16.256 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.482 8.429 -13.684 1.00 0.00 C ATOM 0 H ALA A 117 -13.656 8.452 -12.009 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.201 6.827 -14.305 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.078 8.421 -14.597 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -15.973 7.821 -12.925 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.386 9.453 -13.322 1.00 0.00 H new ATOM 1910 N LEU A 118 -12.374 9.383 -14.766 1.00 0.00 N ATOM 1911 CA LEU A 118 -11.617 10.158 -15.748 1.00 0.00 C ATOM 1912 C LEU A 118 -10.288 9.479 -16.049 1.00 0.00 C ATOM 1913 O LEU A 118 -9.481 9.988 -16.825 1.00 0.00 O ATOM 1914 CB LEU A 118 -11.333 11.570 -15.234 1.00 0.00 C ATOM 1915 CG LEU A 118 -12.547 12.378 -14.788 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -12.100 13.723 -14.240 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -13.519 12.567 -15.944 1.00 0.00 C ATOM 0 H LEU A 118 -12.020 9.459 -13.812 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.221 10.217 -16.653 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.642 11.497 -14.394 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.821 12.125 -16.020 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.063 11.831 -13.999 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.972 14.295 -13.923 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.439 13.567 -13.387 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.568 14.273 -15.016 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.378 13.146 -15.606 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.021 13.098 -16.755 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.855 11.593 -16.300 1.00 0.00 H new ATOM 1929 N LEU A 119 -10.047 8.353 -15.401 1.00 0.00 N ATOM 1930 CA LEU A 119 -8.822 7.605 -15.620 1.00 0.00 C ATOM 1931 C LEU A 119 -9.026 6.597 -16.740 1.00 0.00 C ATOM 1932 O LEU A 119 -9.498 5.484 -16.516 1.00 0.00 O ATOM 1933 CB LEU A 119 -8.366 6.922 -14.322 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.336 7.710 -13.492 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.759 9.155 -13.305 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -7.123 7.063 -12.135 1.00 0.00 C ATOM 0 H LEU A 119 -10.682 7.937 -14.720 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.032 8.293 -15.921 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.242 6.736 -13.701 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.940 5.950 -14.572 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.398 7.693 -14.047 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.008 9.680 -12.715 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.856 9.635 -14.279 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.717 9.189 -12.787 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.391 7.639 -11.568 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.067 7.040 -11.591 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.758 6.045 -12.271 1.00 0.00 H new ATOM 1948 N VAL A 120 -8.709 7.022 -17.957 1.00 0.00 N ATOM 1949 CA VAL A 120 -8.875 6.187 -19.134 1.00 0.00 C ATOM 1950 C VAL A 120 -7.504 5.736 -19.636 1.00 0.00 C ATOM 1951 O VAL A 120 -6.482 6.304 -19.253 1.00 0.00 O ATOM 1952 CB VAL A 120 -9.623 6.946 -20.261 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -10.078 5.996 -21.362 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -10.813 7.715 -19.700 1.00 0.00 C ATOM 0 H VAL A 120 -8.332 7.950 -18.152 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.473 5.318 -18.857 1.00 0.00 H new ATOM 0 HB VAL A 120 -8.923 7.659 -20.697 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -10.599 6.559 -22.136 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -9.210 5.500 -21.796 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -10.751 5.248 -20.942 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -11.322 8.239 -20.509 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -11.506 7.019 -19.227 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.464 8.438 -18.962 1.00 0.00 H new ATOM 1964 N SER A 121 -7.480 4.711 -20.473 1.00 0.00 N ATOM 1965 CA SER A 121 -6.232 4.191 -20.996 1.00 0.00 C ATOM 1966 C SER A 121 -5.647 5.118 -22.062 1.00 0.00 C ATOM 1967 O SER A 121 -6.303 6.058 -22.509 1.00 0.00 O ATOM 1968 CB SER A 121 -6.446 2.784 -21.548 1.00 0.00 C ATOM 1969 OG SER A 121 -7.598 2.724 -22.365 1.00 0.00 O ATOM 0 H SER A 121 -8.313 4.224 -20.804 1.00 0.00 H new ATOM 0 HA SER A 121 -5.510 4.141 -20.181 1.00 0.00 H new ATOM 0 HB2 SER A 121 -5.572 2.480 -22.124 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.545 2.078 -20.723 1.00 0.00 H new ATOM 0 HG SER A 121 -7.539 3.408 -23.065 1.00 0.00 H new ATOM 1975 N ALA A 122 -4.422 4.820 -22.483 1.00 0.00 N ATOM 1976 CA ALA A 122 -3.658 5.693 -23.375 1.00 0.00 C ATOM 1977 C ALA A 122 -4.244 5.772 -24.790 1.00 0.00 C ATOM 1978 O ALA A 122 -3.654 6.395 -25.672 1.00 0.00 O ATOM 1979 CB ALA A 122 -2.214 5.217 -23.431 1.00 0.00 C ATOM 0 H ALA A 122 -3.929 3.968 -22.217 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.711 6.701 -22.964 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.643 5.866 -24.095 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.781 5.249 -22.431 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.182 4.194 -23.807 1.00 0.00 H new ATOM 1985 N HIS A 123 -5.403 5.160 -25.008 1.00 0.00 N ATOM 1986 CA HIS A 123 -6.048 5.212 -26.318 1.00 0.00 C ATOM 1987 C HIS A 123 -7.002 6.406 -26.383 1.00 0.00 C ATOM 1988 O HIS A 123 -7.663 6.643 -27.393 1.00 0.00 O ATOM 1989 CB HIS A 123 -6.788 3.891 -26.628 1.00 0.00 C ATOM 1990 CG HIS A 123 -8.091 3.686 -25.898 1.00 0.00 C ATOM 1991 ND1 HIS A 123 -8.576 4.222 -24.753 1.00 0.00 N flip ATOM 1992 CD2 HIS A 123 -9.069 2.836 -26.358 1.00 0.00 C flip ATOM 1993 CE1 HIS A 123 -9.828 3.694 -24.546 1.00 0.00 C flip ATOM 1994 NE2 HIS A 123 -10.096 2.862 -25.534 1.00 0.00 N flip ATOM 0 H HIS A 123 -5.912 4.627 -24.303 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.278 5.340 -27.079 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -6.982 3.847 -27.700 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -6.124 3.060 -26.390 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -9.005 2.239 -27.256 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -10.481 3.921 -23.716 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -10.957 2.327 -25.642 1.00 0.00 H new ATOM 2003 N ASP A 124 -7.067 7.147 -25.283 1.00 0.00 N ATOM 2004 CA ASP A 124 -7.924 8.321 -25.183 1.00 0.00 C ATOM 2005 C ASP A 124 -7.133 9.514 -24.684 1.00 0.00 C ATOM 2006 O ASP A 124 -5.899 9.488 -24.661 1.00 0.00 O ATOM 2007 CB ASP A 124 -9.097 8.064 -24.232 1.00 0.00 C ATOM 2008 CG ASP A 124 -10.343 7.584 -24.942 1.00 0.00 C ATOM 2009 OD1 ASP A 124 -11.039 8.418 -25.556 1.00 0.00 O ATOM 2010 OD2 ASP A 124 -10.648 6.378 -24.870 1.00 0.00 O ATOM 0 H ASP A 124 -6.529 6.952 -24.439 1.00 0.00 H new ATOM 0 HA ASP A 124 -8.313 8.532 -26.179 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -8.800 7.322 -23.491 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.326 8.982 -23.690 1.00 0.00 H new ATOM 2015 N ASP A 125 -7.850 10.554 -24.292 1.00 0.00 N ATOM 2016 CA ASP A 125 -7.235 11.739 -23.728 1.00 0.00 C ATOM 2017 C ASP A 125 -7.303 11.679 -22.209 1.00 0.00 C ATOM 2018 O ASP A 125 -6.309 11.248 -21.592 1.00 0.00 O ATOM 2019 CB ASP A 125 -7.922 13.005 -24.251 1.00 0.00 C ATOM 2020 CG ASP A 125 -7.293 14.273 -23.706 1.00 0.00 C ATOM 2021 OD1 ASP A 125 -6.085 14.496 -23.943 1.00 0.00 O ATOM 2022 OD2 ASP A 125 -8.007 15.067 -23.058 1.00 0.00 O ATOM 0 H ASP A 125 -8.867 10.599 -24.356 1.00 0.00 H new ATOM 0 HA ASP A 125 -6.189 11.774 -24.033 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.873 13.018 -25.340 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.977 12.981 -23.979 1.00 0.00 H new TER 2027 ASP A 125