USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=15 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 34 HIS : no HD1:sc= 0.452 K(o=1,f=-6!) USER MOD Set 1.2: A 121 SER OG : rot 179:sc= 0.581 USER MOD Single : A 1 MET CE :methyl -110:sc= -1.85! (180deg=-4.87!) USER MOD Single : A 1 MET N :NH3+ -149:sc= 1.18 (180deg=0.89) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 5 HIS :FLIP no HE2:sc= -0.498 F(o=-1,f=-0.5) USER MOD Single : A 12 HIS : no HE2:sc= -0.845 K(o=-0.84,f=-1.5!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.863 K(o=-0.86,f=-1.9) USER MOD Single : A 37 SER OG : rot -8:sc= 0.13 USER MOD Single : A 39 HIS : no HD1:sc= -5.22! C(o=-5.2!,f=-6.7!) USER MOD Single : A 45 GLN : amide:sc= -4.05! C(o=-4!,f=-9!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.0477 X(o=-0.048,f=-0.048) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.324 USER MOD Single : A 71 MET CE :methyl -141:sc= -0.2 (180deg=-0.855) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -171:sc= 1.21 USER MOD Single : A 88 GLN :FLIP amide:sc= -2.15! C(o=-3!,f=-2.1!) USER MOD Single : A 89 HIS : no HD1:sc= 1.05 K(o=1,f=-3.4!) USER MOD Single : A 94 SER OG : rot 13:sc= 0.944 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0.175 K(o=0.17,f=-3.1!) USER MOD Single : A 105 ASN : amide:sc= 0.723 K(o=0.72,f=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.206 X(o=-0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.601 11.767 -30.010 1.00 0.00 N ATOM 2 CA MET A 1 23.188 11.580 -28.661 1.00 0.00 C ATOM 3 C MET A 1 22.553 12.545 -27.667 1.00 0.00 C ATOM 4 O MET A 1 22.638 13.763 -27.841 1.00 0.00 O ATOM 5 CB MET A 1 24.706 11.793 -28.700 1.00 0.00 C ATOM 6 CG MET A 1 25.472 10.736 -29.488 1.00 0.00 C ATOM 7 SD MET A 1 25.532 9.124 -28.669 1.00 0.00 S ATOM 8 CE MET A 1 23.923 8.437 -29.062 1.00 0.00 C ATOM 0 H1 MET A 1 22.606 10.860 -30.520 1.00 0.00 H new ATOM 0 H2 MET A 1 21.622 12.107 -29.919 1.00 0.00 H new ATOM 0 H3 MET A 1 23.162 12.465 -30.539 1.00 0.00 H new ATOM 0 HA MET A 1 22.986 10.558 -28.339 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.912 12.772 -29.134 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.084 11.811 -27.678 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.009 10.619 -30.468 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.490 11.087 -29.656 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.313 8.401 -28.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.432 9.063 -29.807 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.045 7.429 -29.458 1.00 0.00 H new ATOM 18 N SER A 2 21.907 11.986 -26.638 1.00 0.00 N ATOM 19 CA SER A 2 21.200 12.771 -25.625 1.00 0.00 C ATOM 20 C SER A 2 20.048 13.543 -26.262 1.00 0.00 C ATOM 21 O SER A 2 19.576 14.549 -25.729 1.00 0.00 O ATOM 22 CB SER A 2 22.167 13.721 -24.912 1.00 0.00 C ATOM 23 OG SER A 2 23.214 12.999 -24.278 1.00 0.00 O ATOM 0 H SER A 2 21.861 10.979 -26.486 1.00 0.00 H new ATOM 0 HA SER A 2 20.785 12.090 -24.882 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.588 14.424 -25.631 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.625 14.309 -24.171 1.00 0.00 H new ATOM 0 HG SER A 2 23.820 13.626 -23.831 1.00 0.00 H new ATOM 29 N ASP A 3 19.584 13.036 -27.392 1.00 0.00 N ATOM 30 CA ASP A 3 18.549 13.692 -28.169 1.00 0.00 C ATOM 31 C ASP A 3 17.241 12.921 -28.083 1.00 0.00 C ATOM 32 O ASP A 3 17.231 11.710 -27.845 1.00 0.00 O ATOM 33 CB ASP A 3 18.987 13.821 -29.631 1.00 0.00 C ATOM 34 CG ASP A 3 19.191 12.477 -30.307 1.00 0.00 C ATOM 35 OD1 ASP A 3 19.996 11.664 -29.799 1.00 0.00 O ATOM 36 OD2 ASP A 3 18.566 12.233 -31.359 1.00 0.00 O ATOM 0 H ASP A 3 19.914 12.159 -27.795 1.00 0.00 H new ATOM 0 HA ASP A 3 18.390 14.688 -27.756 1.00 0.00 H new ATOM 0 HB2 ASP A 3 18.237 14.389 -30.181 1.00 0.00 H new ATOM 0 HB3 ASP A 3 19.915 14.390 -29.678 1.00 0.00 H new ATOM 41 N GLN A 4 16.143 13.643 -28.260 1.00 0.00 N ATOM 42 CA GLN A 4 14.805 13.076 -28.198 1.00 0.00 C ATOM 43 C GLN A 4 13.790 14.102 -28.688 1.00 0.00 C ATOM 44 O GLN A 4 14.012 15.308 -28.562 1.00 0.00 O ATOM 45 CB GLN A 4 14.472 12.617 -26.770 1.00 0.00 C ATOM 46 CG GLN A 4 14.885 13.603 -25.690 1.00 0.00 C ATOM 47 CD GLN A 4 14.721 13.038 -24.293 1.00 0.00 C ATOM 48 OE1 GLN A 4 14.791 11.824 -24.088 1.00 0.00 O ATOM 49 NE2 GLN A 4 14.523 13.914 -23.320 1.00 0.00 N ATOM 0 H GLN A 4 16.157 14.645 -28.452 1.00 0.00 H new ATOM 0 HA GLN A 4 14.762 12.200 -28.846 1.00 0.00 H new ATOM 0 HB2 GLN A 4 13.399 12.443 -26.697 1.00 0.00 H new ATOM 0 HB3 GLN A 4 14.963 11.662 -26.583 1.00 0.00 H new ATOM 0 HG2 GLN A 4 15.926 13.889 -25.843 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.288 14.510 -25.784 1.00 0.00 H new ATOM 0 HE21 GLN A 4 14.472 14.910 -23.533 1.00 0.00 H new ATOM 0 HE22 GLN A 4 14.422 13.593 -22.357 1.00 0.00 H new ATOM 58 N HIS A 5 12.693 13.623 -29.256 1.00 0.00 N ATOM 59 CA HIS A 5 11.673 14.501 -29.818 1.00 0.00 C ATOM 60 C HIS A 5 10.905 15.216 -28.710 1.00 0.00 C ATOM 61 O HIS A 5 10.654 14.647 -27.645 1.00 0.00 O ATOM 62 CB HIS A 5 10.707 13.693 -30.693 1.00 0.00 C ATOM 63 CG HIS A 5 9.725 14.530 -31.456 1.00 0.00 C ATOM 64 ND1 HIS A 5 9.911 15.451 -32.432 1.00 0.00 N flip ATOM 65 CD2 HIS A 5 8.365 14.458 -31.258 1.00 0.00 C flip ATOM 66 CE1 HIS A 5 8.673 15.911 -32.798 1.00 0.00 C flip ATOM 67 NE2 HIS A 5 7.758 15.295 -32.076 1.00 0.00 N flip ATOM 0 H HIS A 5 12.485 12.628 -29.341 1.00 0.00 H new ATOM 0 HA HIS A 5 12.167 15.253 -30.434 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.285 13.097 -31.399 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.159 12.995 -30.061 1.00 0.00 H new ATOM 0 HD1 HIS A 5 10.806 15.747 -32.822 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.872 13.816 -30.544 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.479 16.657 -33.555 1.00 0.00 H new ATOM 76 N ASP A 6 10.548 16.469 -28.961 1.00 0.00 N ATOM 77 CA ASP A 6 9.778 17.250 -28.003 1.00 0.00 C ATOM 78 C ASP A 6 8.284 17.074 -28.257 1.00 0.00 C ATOM 79 O ASP A 6 7.874 16.154 -28.965 1.00 0.00 O ATOM 80 CB ASP A 6 10.156 18.731 -28.076 1.00 0.00 C ATOM 81 CG ASP A 6 11.581 19.001 -27.630 1.00 0.00 C ATOM 82 OD1 ASP A 6 12.399 19.432 -28.471 1.00 0.00 O ATOM 83 OD2 ASP A 6 11.892 18.785 -26.441 1.00 0.00 O ATOM 0 H ASP A 6 10.780 16.966 -29.821 1.00 0.00 H new ATOM 0 HA ASP A 6 10.012 16.887 -27.002 1.00 0.00 H new ATOM 0 HB2 ASP A 6 10.029 19.083 -29.100 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.471 19.306 -27.453 1.00 0.00 H new ATOM 88 N GLU A 7 7.475 17.953 -27.676 1.00 0.00 N ATOM 89 CA GLU A 7 6.023 17.846 -27.774 1.00 0.00 C ATOM 90 C GLU A 7 5.529 18.035 -29.209 1.00 0.00 C ATOM 91 O GLU A 7 6.020 18.891 -29.946 1.00 0.00 O ATOM 92 CB GLU A 7 5.333 18.881 -26.872 1.00 0.00 C ATOM 93 CG GLU A 7 5.839 18.909 -25.438 1.00 0.00 C ATOM 94 CD GLU A 7 6.979 19.889 -25.244 1.00 0.00 C ATOM 95 OE1 GLU A 7 6.735 21.003 -24.729 1.00 0.00 O ATOM 96 OE2 GLU A 7 8.124 19.559 -25.607 1.00 0.00 O ATOM 0 H GLU A 7 7.801 18.751 -27.130 1.00 0.00 H new ATOM 0 HA GLU A 7 5.765 16.839 -27.445 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.466 19.871 -27.309 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.262 18.678 -26.862 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.018 19.175 -24.772 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.170 17.910 -25.153 1.00 0.00 H new ATOM 103 N ARG A 8 4.567 17.205 -29.595 1.00 0.00 N ATOM 104 CA ARG A 8 3.822 17.390 -30.835 1.00 0.00 C ATOM 105 C ARG A 8 2.343 17.131 -30.565 1.00 0.00 C ATOM 106 O ARG A 8 1.511 18.027 -30.687 1.00 0.00 O ATOM 107 CB ARG A 8 4.332 16.458 -31.942 1.00 0.00 C ATOM 108 CG ARG A 8 3.523 16.553 -33.231 1.00 0.00 C ATOM 109 CD ARG A 8 4.019 15.581 -34.291 1.00 0.00 C ATOM 110 NE ARG A 8 5.364 15.910 -34.763 1.00 0.00 N ATOM 111 CZ ARG A 8 6.151 15.061 -35.425 1.00 0.00 C ATOM 112 NH1 ARG A 8 5.726 13.837 -35.712 1.00 0.00 N ATOM 113 NH2 ARG A 8 7.358 15.445 -35.817 1.00 0.00 N ATOM 0 H ARG A 8 4.282 16.386 -29.058 1.00 0.00 H new ATOM 0 HA ARG A 8 3.965 18.414 -31.181 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.374 16.696 -32.157 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.308 15.430 -31.581 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.474 16.350 -33.016 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.578 17.570 -33.619 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.017 14.570 -33.883 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.329 15.585 -35.135 1.00 0.00 H new ATOM 0 HE ARG A 8 5.722 16.846 -34.574 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.793 13.541 -35.426 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.333 13.192 -36.219 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.684 16.389 -35.612 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.960 14.796 -36.323 1.00 0.00 H new ATOM 127 N ARG A 9 2.037 15.905 -30.166 1.00 0.00 N ATOM 128 CA ARG A 9 0.677 15.524 -29.811 1.00 0.00 C ATOM 129 C ARG A 9 0.485 15.698 -28.311 1.00 0.00 C ATOM 130 O ARG A 9 1.320 15.248 -27.522 1.00 0.00 O ATOM 131 CB ARG A 9 0.413 14.067 -30.212 1.00 0.00 C ATOM 132 CG ARG A 9 -0.986 13.571 -29.870 1.00 0.00 C ATOM 133 CD ARG A 9 -1.150 12.092 -30.194 1.00 0.00 C ATOM 134 NE ARG A 9 -0.185 11.265 -29.464 1.00 0.00 N ATOM 135 CZ ARG A 9 -0.289 9.942 -29.312 1.00 0.00 C ATOM 136 NH1 ARG A 9 -1.318 9.280 -29.830 1.00 0.00 N ATOM 137 NH2 ARG A 9 0.647 9.278 -28.644 1.00 0.00 N ATOM 0 H ARG A 9 2.719 15.151 -30.079 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.029 16.161 -30.344 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.571 13.963 -31.285 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.144 13.427 -29.718 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.183 13.736 -28.811 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.724 14.150 -30.425 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.163 11.775 -29.944 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.023 11.938 -31.266 1.00 0.00 H new ATOM 0 HE ARG A 9 0.620 11.731 -29.044 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.038 9.782 -30.350 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.388 8.270 -29.708 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.443 9.778 -28.248 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.570 8.268 -28.526 1.00 0.00 H new ATOM 151 N ARG A 10 -0.595 16.357 -27.913 1.00 0.00 N ATOM 152 CA ARG A 10 -0.836 16.598 -26.500 1.00 0.00 C ATOM 153 C ARG A 10 -1.436 15.359 -25.837 1.00 0.00 C ATOM 154 O ARG A 10 -2.546 14.932 -26.167 1.00 0.00 O ATOM 155 CB ARG A 10 -1.708 17.857 -26.290 1.00 0.00 C ATOM 156 CG ARG A 10 -3.128 17.781 -26.845 1.00 0.00 C ATOM 157 CD ARG A 10 -4.112 17.271 -25.796 1.00 0.00 C ATOM 158 NE ARG A 10 -5.476 17.162 -26.308 1.00 0.00 N ATOM 159 CZ ARG A 10 -6.112 16.005 -26.498 1.00 0.00 C ATOM 160 NH1 ARG A 10 -5.478 14.849 -26.314 1.00 0.00 N ATOM 161 NH2 ARG A 10 -7.377 16.007 -26.891 1.00 0.00 N ATOM 0 H ARG A 10 -1.308 16.729 -28.540 1.00 0.00 H new ATOM 0 HA ARG A 10 0.120 16.794 -26.014 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.766 18.061 -25.221 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.203 18.707 -26.750 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.439 18.768 -27.188 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.146 17.122 -27.713 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.783 16.295 -25.439 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.103 17.943 -24.938 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.973 18.024 -26.534 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.500 14.844 -26.026 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.971 13.968 -26.461 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.861 16.891 -27.047 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.867 15.124 -27.037 1.00 0.00 H new ATOM 175 N PHE A 11 -0.668 14.763 -24.934 1.00 0.00 N ATOM 176 CA PHE A 11 -1.111 13.597 -24.181 1.00 0.00 C ATOM 177 C PHE A 11 0.002 13.120 -23.261 1.00 0.00 C ATOM 178 O PHE A 11 0.988 12.535 -23.716 1.00 0.00 O ATOM 179 CB PHE A 11 -1.525 12.451 -25.114 1.00 0.00 C ATOM 180 CG PHE A 11 -2.323 11.378 -24.424 1.00 0.00 C ATOM 181 CD1 PHE A 11 -1.696 10.295 -23.831 1.00 0.00 C ATOM 182 CD2 PHE A 11 -3.707 11.463 -24.362 1.00 0.00 C ATOM 183 CE1 PHE A 11 -2.432 9.313 -23.195 1.00 0.00 C ATOM 184 CE2 PHE A 11 -4.446 10.483 -23.728 1.00 0.00 C ATOM 185 CZ PHE A 11 -3.807 9.409 -23.141 1.00 0.00 C ATOM 0 H PHE A 11 0.276 15.073 -24.704 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.979 13.892 -23.592 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.112 12.857 -25.938 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.631 12.005 -25.549 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.619 10.217 -23.866 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.211 12.304 -24.814 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.931 8.471 -22.741 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.523 10.557 -23.692 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.383 8.645 -22.640 1.00 0.00 H new ATOM 195 N HIS A 12 -0.147 13.382 -21.976 1.00 0.00 N ATOM 196 CA HIS A 12 0.816 12.912 -20.999 1.00 0.00 C ATOM 197 C HIS A 12 0.334 11.573 -20.457 1.00 0.00 C ATOM 198 O HIS A 12 -0.633 11.514 -19.701 1.00 0.00 O ATOM 199 CB HIS A 12 0.988 13.930 -19.864 1.00 0.00 C ATOM 200 CG HIS A 12 2.366 13.946 -19.267 1.00 0.00 C ATOM 201 ND1 HIS A 12 2.941 15.082 -18.737 1.00 0.00 N ATOM 202 CD2 HIS A 12 3.291 12.964 -19.132 1.00 0.00 C ATOM 203 CE1 HIS A 12 4.156 14.798 -18.308 1.00 0.00 C ATOM 204 NE2 HIS A 12 4.392 13.522 -18.535 1.00 0.00 N ATOM 0 H HIS A 12 -0.923 13.916 -21.586 1.00 0.00 H new ATOM 0 HA HIS A 12 1.790 12.790 -21.472 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.755 14.925 -20.243 1.00 0.00 H new ATOM 0 HB3 HIS A 12 0.265 13.710 -19.079 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.496 15.999 -18.685 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.181 11.934 -19.438 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.842 15.494 -17.848 1.00 0.00 H new ATOM 213 N ARG A 13 0.983 10.500 -20.876 1.00 0.00 N ATOM 214 CA ARG A 13 0.512 9.159 -20.550 1.00 0.00 C ATOM 215 C ARG A 13 0.994 8.706 -19.176 1.00 0.00 C ATOM 216 O ARG A 13 2.197 8.611 -18.919 1.00 0.00 O ATOM 217 CB ARG A 13 0.946 8.155 -21.628 1.00 0.00 C ATOM 218 CG ARG A 13 2.431 8.188 -21.957 1.00 0.00 C ATOM 219 CD ARG A 13 2.791 7.155 -23.017 1.00 0.00 C ATOM 220 NE ARG A 13 2.760 5.788 -22.500 1.00 0.00 N ATOM 221 CZ ARG A 13 1.960 4.827 -22.963 1.00 0.00 C ATOM 222 NH1 ARG A 13 1.067 5.086 -23.911 1.00 0.00 N ATOM 223 NH2 ARG A 13 2.056 3.601 -22.469 1.00 0.00 N ATOM 0 H ARG A 13 1.833 10.527 -21.439 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.577 9.196 -20.521 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.682 7.150 -21.299 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.380 8.351 -22.539 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.705 9.183 -22.309 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.009 8.000 -21.053 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.097 7.240 -23.853 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.786 7.370 -23.406 1.00 0.00 H new ATOM 0 HE ARG A 13 3.392 5.554 -21.734 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.988 6.028 -24.293 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.461 4.343 -24.257 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.739 3.397 -21.739 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.447 2.861 -22.819 1.00 0.00 H new ATOM 237 N ILE A 14 0.045 8.446 -18.290 1.00 0.00 N ATOM 238 CA ILE A 14 0.354 7.867 -16.995 1.00 0.00 C ATOM 239 C ILE A 14 0.206 6.358 -17.072 1.00 0.00 C ATOM 240 O ILE A 14 -0.880 5.818 -16.907 1.00 0.00 O ATOM 241 CB ILE A 14 -0.543 8.439 -15.867 1.00 0.00 C ATOM 242 CG1 ILE A 14 -0.174 9.899 -15.600 1.00 0.00 C ATOM 243 CG2 ILE A 14 -0.415 7.621 -14.583 1.00 0.00 C ATOM 244 CD1 ILE A 14 1.240 10.077 -15.086 1.00 0.00 C ATOM 0 H ILE A 14 -0.947 8.628 -18.446 1.00 0.00 H new ATOM 0 HA ILE A 14 1.382 8.129 -16.746 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.580 8.381 -16.197 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.293 10.470 -16.521 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.872 10.316 -14.874 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.057 8.049 -13.813 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.717 6.592 -14.776 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.620 7.638 -14.243 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.435 11.136 -14.918 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.358 9.533 -14.149 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.946 9.690 -15.821 1.00 0.00 H new ATOM 256 N ALA A 15 1.305 5.699 -17.393 1.00 0.00 N ATOM 257 CA ALA A 15 1.344 4.253 -17.470 1.00 0.00 C ATOM 258 C ALA A 15 2.786 3.789 -17.440 1.00 0.00 C ATOM 259 O ALA A 15 3.591 4.185 -18.284 1.00 0.00 O ATOM 260 CB ALA A 15 0.648 3.751 -18.728 1.00 0.00 C ATOM 0 H ALA A 15 2.193 6.152 -17.607 1.00 0.00 H new ATOM 0 HA ALA A 15 0.812 3.841 -16.613 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.693 2.662 -18.759 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.394 4.071 -18.720 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.146 4.160 -19.607 1.00 0.00 H new ATOM 266 N PHE A 16 3.121 2.977 -16.457 1.00 0.00 N ATOM 267 CA PHE A 16 4.482 2.493 -16.313 1.00 0.00 C ATOM 268 C PHE A 16 4.557 1.039 -16.745 1.00 0.00 C ATOM 269 O PHE A 16 3.544 0.340 -16.769 1.00 0.00 O ATOM 270 CB PHE A 16 4.954 2.608 -14.859 1.00 0.00 C ATOM 271 CG PHE A 16 4.498 3.853 -14.149 1.00 0.00 C ATOM 272 CD1 PHE A 16 4.962 5.108 -14.518 1.00 0.00 C ATOM 273 CD2 PHE A 16 3.603 3.761 -13.096 1.00 0.00 C ATOM 274 CE1 PHE A 16 4.536 6.242 -13.852 1.00 0.00 C ATOM 275 CE2 PHE A 16 3.176 4.888 -12.427 1.00 0.00 C ATOM 276 CZ PHE A 16 3.642 6.131 -12.806 1.00 0.00 C ATOM 0 H PHE A 16 2.472 2.638 -15.747 1.00 0.00 H new ATOM 0 HA PHE A 16 5.129 3.105 -16.942 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.598 1.739 -14.306 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.043 2.573 -14.841 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.663 5.200 -15.334 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.234 2.792 -12.795 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.902 7.213 -14.150 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.478 4.799 -11.608 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.307 7.016 -12.285 1.00 0.00 H new ATOM 286 N ASP A 17 5.753 0.581 -17.075 1.00 0.00 N ATOM 287 CA ASP A 17 5.972 -0.830 -17.368 1.00 0.00 C ATOM 288 C ASP A 17 6.470 -1.539 -16.114 1.00 0.00 C ATOM 289 O ASP A 17 7.208 -2.523 -16.175 1.00 0.00 O ATOM 290 CB ASP A 17 6.952 -1.013 -18.536 1.00 0.00 C ATOM 291 CG ASP A 17 8.259 -0.275 -18.347 1.00 0.00 C ATOM 292 OD1 ASP A 17 9.226 -0.877 -17.842 1.00 0.00 O ATOM 293 OD2 ASP A 17 8.330 0.913 -18.726 1.00 0.00 O ATOM 0 H ASP A 17 6.588 1.163 -17.147 1.00 0.00 H new ATOM 0 HA ASP A 17 5.025 -1.276 -17.674 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.159 -2.076 -18.664 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.478 -0.668 -19.455 1.00 0.00 H new ATOM 298 N ALA A 18 6.038 -1.025 -14.971 1.00 0.00 N ATOM 299 CA ALA A 18 6.339 -1.629 -13.687 1.00 0.00 C ATOM 300 C ALA A 18 5.480 -2.868 -13.486 1.00 0.00 C ATOM 301 O ALA A 18 4.332 -2.908 -13.933 1.00 0.00 O ATOM 302 CB ALA A 18 6.087 -0.626 -12.567 1.00 0.00 C ATOM 0 H ALA A 18 5.471 -0.180 -14.911 1.00 0.00 H new ATOM 0 HA ALA A 18 7.389 -1.920 -13.666 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.316 -1.088 -11.607 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.724 0.247 -12.710 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.041 -0.319 -12.582 1.00 0.00 H new ATOM 308 N ASP A 19 6.035 -3.880 -12.836 1.00 0.00 N ATOM 309 CA ASP A 19 5.291 -5.104 -12.572 1.00 0.00 C ATOM 310 C ASP A 19 4.174 -4.839 -11.583 1.00 0.00 C ATOM 311 O ASP A 19 4.408 -4.335 -10.481 1.00 0.00 O ATOM 312 CB ASP A 19 6.202 -6.213 -12.042 1.00 0.00 C ATOM 313 CG ASP A 19 7.158 -6.745 -13.090 1.00 0.00 C ATOM 314 OD1 ASP A 19 6.787 -6.782 -14.282 1.00 0.00 O ATOM 315 OD2 ASP A 19 8.281 -7.147 -12.720 1.00 0.00 O ATOM 0 H ASP A 19 6.992 -3.879 -12.483 1.00 0.00 H new ATOM 0 HA ASP A 19 4.864 -5.440 -13.517 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.774 -5.832 -11.196 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.588 -7.033 -11.669 1.00 0.00 H new ATOM 320 N SER A 20 2.960 -5.164 -11.987 1.00 0.00 N ATOM 321 CA SER A 20 1.800 -4.954 -11.150 1.00 0.00 C ATOM 322 C SER A 20 1.059 -6.269 -10.942 1.00 0.00 C ATOM 323 O SER A 20 0.794 -7.004 -11.893 1.00 0.00 O ATOM 324 CB SER A 20 0.870 -3.913 -11.786 1.00 0.00 C ATOM 325 OG SER A 20 -0.222 -3.605 -10.935 1.00 0.00 O ATOM 0 H SER A 20 2.754 -5.577 -12.897 1.00 0.00 H new ATOM 0 HA SER A 20 2.129 -4.581 -10.180 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.432 -3.005 -12.002 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.496 -4.290 -12.738 1.00 0.00 H new ATOM 0 HG SER A 20 -0.795 -2.938 -11.367 1.00 0.00 H new ATOM 331 N GLU A 21 0.750 -6.571 -9.693 1.00 0.00 N ATOM 332 CA GLU A 21 0.010 -7.776 -9.362 1.00 0.00 C ATOM 333 C GLU A 21 -1.232 -7.418 -8.554 1.00 0.00 C ATOM 334 O GLU A 21 -1.136 -6.777 -7.508 1.00 0.00 O ATOM 335 CB GLU A 21 0.890 -8.747 -8.567 1.00 0.00 C ATOM 336 CG GLU A 21 2.249 -8.997 -9.202 1.00 0.00 C ATOM 337 CD GLU A 21 3.106 -9.954 -8.400 1.00 0.00 C ATOM 338 OE1 GLU A 21 3.235 -9.766 -7.171 1.00 0.00 O ATOM 339 OE2 GLU A 21 3.672 -10.897 -8.995 1.00 0.00 O ATOM 0 H GLU A 21 1.001 -5.996 -8.889 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.294 -8.263 -10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.035 -8.352 -7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.366 -9.697 -8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.107 -9.398 -10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.775 -8.048 -9.309 1.00 0.00 H new ATOM 346 N ILE A 22 -2.394 -7.810 -9.051 1.00 0.00 N ATOM 347 CA ILE A 22 -3.642 -7.594 -8.342 1.00 0.00 C ATOM 348 C ILE A 22 -4.015 -8.851 -7.582 1.00 0.00 C ATOM 349 O ILE A 22 -3.990 -9.951 -8.130 1.00 0.00 O ATOM 350 CB ILE A 22 -4.791 -7.191 -9.292 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.531 -5.795 -9.854 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.137 -7.242 -8.575 1.00 0.00 C ATOM 353 CD1 ILE A 22 -5.615 -5.301 -10.785 1.00 0.00 C ATOM 0 H ILE A 22 -2.497 -8.283 -9.949 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.492 -6.767 -7.648 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.828 -7.903 -10.116 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.428 -5.093 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.581 -5.799 -10.388 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.929 -6.954 -9.266 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.320 -8.255 -8.216 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.125 -6.554 -7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.360 -4.304 -11.143 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.703 -5.980 -11.633 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.564 -5.263 -10.250 1.00 0.00 H new ATOM 365 N LEU A 23 -4.343 -8.687 -6.316 1.00 0.00 N ATOM 366 CA LEU A 23 -4.564 -9.820 -5.443 1.00 0.00 C ATOM 367 C LEU A 23 -5.958 -9.796 -4.844 1.00 0.00 C ATOM 368 O LEU A 23 -6.479 -8.742 -4.490 1.00 0.00 O ATOM 369 CB LEU A 23 -3.536 -9.807 -4.315 1.00 0.00 C ATOM 370 CG LEU A 23 -2.094 -9.552 -4.748 1.00 0.00 C ATOM 371 CD1 LEU A 23 -1.223 -9.321 -3.532 1.00 0.00 C ATOM 372 CD2 LEU A 23 -1.559 -10.710 -5.573 1.00 0.00 C ATOM 0 H LEU A 23 -4.462 -7.778 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.460 -10.727 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.822 -9.041 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.578 -10.765 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.075 -8.659 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.196 -9.140 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.590 -8.456 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.254 -10.201 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.531 -10.502 -5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.589 -11.624 -4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.174 -10.836 -6.464 1.00 0.00 H new ATOM 384 N GLN A 24 -6.559 -10.962 -4.756 1.00 0.00 N ATOM 385 CA GLN A 24 -7.761 -11.148 -3.978 1.00 0.00 C ATOM 386 C GLN A 24 -7.464 -12.225 -2.951 1.00 0.00 C ATOM 387 O GLN A 24 -7.779 -13.396 -3.163 1.00 0.00 O ATOM 388 CB GLN A 24 -8.945 -11.562 -4.862 1.00 0.00 C ATOM 389 CG GLN A 24 -10.320 -11.235 -4.277 1.00 0.00 C ATOM 390 CD GLN A 24 -10.490 -11.672 -2.831 1.00 0.00 C ATOM 391 OE1 GLN A 24 -10.881 -12.804 -2.554 1.00 0.00 O ATOM 392 NE2 GLN A 24 -10.222 -10.763 -1.902 1.00 0.00 N ATOM 0 H GLN A 24 -6.227 -11.807 -5.222 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.043 -10.212 -3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.849 -11.069 -5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.888 -12.635 -5.044 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.487 -10.160 -4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.087 -11.715 -4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.899 -9.835 -2.175 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.338 -10.993 -0.915 1.00 0.00 H new ATOM 401 N GLY A 25 -6.802 -11.830 -1.871 1.00 0.00 N ATOM 402 CA GLY A 25 -6.380 -12.781 -0.865 1.00 0.00 C ATOM 403 C GLY A 25 -5.378 -13.777 -1.412 1.00 0.00 C ATOM 404 O GLY A 25 -4.188 -13.480 -1.530 1.00 0.00 O ATOM 0 H GLY A 25 -6.549 -10.862 -1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.938 -12.247 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.250 -13.315 -0.483 1.00 0.00 H new ATOM 408 N GLU A 26 -5.867 -14.951 -1.774 1.00 0.00 N ATOM 409 CA GLU A 26 -5.019 -16.012 -2.288 1.00 0.00 C ATOM 410 C GLU A 26 -4.866 -15.918 -3.803 1.00 0.00 C ATOM 411 O GLU A 26 -3.896 -16.428 -4.368 1.00 0.00 O ATOM 412 CB GLU A 26 -5.604 -17.373 -1.921 1.00 0.00 C ATOM 413 CG GLU A 26 -5.730 -17.600 -0.426 1.00 0.00 C ATOM 414 CD GLU A 26 -6.479 -18.874 -0.107 1.00 0.00 C ATOM 415 OE1 GLU A 26 -5.890 -19.965 -0.234 1.00 0.00 O ATOM 416 OE2 GLU A 26 -7.669 -18.791 0.262 1.00 0.00 O ATOM 0 H GLU A 26 -6.856 -15.194 -1.720 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.034 -15.899 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.588 -17.471 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.976 -18.155 -2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.736 -17.643 0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.246 -16.753 0.027 1.00 0.00 H new ATOM 423 N ARG A 27 -5.818 -15.260 -4.462 1.00 0.00 N ATOM 424 CA ARG A 27 -5.820 -15.192 -5.919 1.00 0.00 C ATOM 425 C ARG A 27 -4.893 -14.089 -6.401 1.00 0.00 C ATOM 426 O ARG A 27 -5.142 -12.912 -6.164 1.00 0.00 O ATOM 427 CB ARG A 27 -7.233 -14.958 -6.460 1.00 0.00 C ATOM 428 CG ARG A 27 -8.206 -16.081 -6.137 1.00 0.00 C ATOM 429 CD ARG A 27 -9.498 -15.945 -6.925 1.00 0.00 C ATOM 430 NE ARG A 27 -9.271 -16.057 -8.368 1.00 0.00 N ATOM 431 CZ ARG A 27 -9.850 -16.975 -9.145 1.00 0.00 C ATOM 432 NH1 ARG A 27 -10.701 -17.851 -8.623 1.00 0.00 N ATOM 433 NH2 ARG A 27 -9.584 -17.011 -10.446 1.00 0.00 N ATOM 0 H ARG A 27 -6.592 -14.770 -4.013 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.462 -16.150 -6.297 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.620 -14.025 -6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.182 -14.833 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.742 -17.041 -6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.428 -16.076 -5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.200 -16.716 -6.607 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.959 -14.982 -6.703 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.632 -15.393 -8.805 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.914 -17.823 -7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.142 -18.551 -9.219 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.936 -16.336 -10.853 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.028 -17.713 -11.038 1.00 0.00 H new ATOM 447 N ARG A 28 -3.821 -14.477 -7.069 1.00 0.00 N ATOM 448 CA ARG A 28 -2.842 -13.519 -7.549 1.00 0.00 C ATOM 449 C ARG A 28 -2.912 -13.395 -9.070 1.00 0.00 C ATOM 450 O ARG A 28 -2.862 -14.393 -9.791 1.00 0.00 O ATOM 451 CB ARG A 28 -1.433 -13.928 -7.098 1.00 0.00 C ATOM 452 CG ARG A 28 -0.929 -15.222 -7.718 1.00 0.00 C ATOM 453 CD ARG A 28 0.398 -15.664 -7.117 1.00 0.00 C ATOM 454 NE ARG A 28 1.315 -14.543 -6.913 1.00 0.00 N ATOM 455 CZ ARG A 28 2.098 -14.019 -7.854 1.00 0.00 C ATOM 456 NH1 ARG A 28 2.090 -14.496 -9.096 1.00 0.00 N ATOM 457 NH2 ARG A 28 2.889 -13.004 -7.541 1.00 0.00 N ATOM 0 H ARG A 28 -3.607 -15.449 -7.291 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.070 -12.543 -7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.738 -13.126 -7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.427 -14.032 -6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.672 -16.007 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.813 -15.087 -8.793 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.215 -16.160 -6.163 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.865 -16.398 -7.773 1.00 0.00 H new ATOM 0 HE ARG A 28 1.358 -14.132 -5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.478 -15.275 -9.339 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.696 -14.083 -9.805 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.893 -12.635 -6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.495 -12.592 -8.251 1.00 0.00 H new ATOM 471 N TRP A 29 -3.057 -12.173 -9.552 1.00 0.00 N ATOM 472 CA TRP A 29 -3.104 -11.916 -10.982 1.00 0.00 C ATOM 473 C TRP A 29 -1.993 -10.965 -11.389 1.00 0.00 C ATOM 474 O TRP A 29 -1.912 -9.853 -10.884 1.00 0.00 O ATOM 475 CB TRP A 29 -4.446 -11.300 -11.379 1.00 0.00 C ATOM 476 CG TRP A 29 -5.624 -12.189 -11.143 1.00 0.00 C ATOM 477 CD1 TRP A 29 -5.938 -13.329 -11.822 1.00 0.00 C ATOM 478 CD2 TRP A 29 -6.663 -11.996 -10.175 1.00 0.00 C ATOM 479 NE1 TRP A 29 -7.102 -13.862 -11.333 1.00 0.00 N ATOM 480 CE2 TRP A 29 -7.569 -13.063 -10.319 1.00 0.00 C ATOM 481 CE3 TRP A 29 -6.912 -11.028 -9.199 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -8.705 -13.186 -9.524 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -8.039 -11.152 -8.410 1.00 0.00 C ATOM 484 CH2 TRP A 29 -8.924 -12.222 -8.578 1.00 0.00 C ATOM 0 H TRP A 29 -3.145 -11.339 -8.971 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.977 -12.871 -11.493 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.587 -10.374 -10.821 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.412 -11.034 -12.435 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.355 -13.750 -12.627 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.549 -14.715 -11.668 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -6.235 -10.197 -9.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -9.389 -14.012 -9.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.240 -10.411 -7.651 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -9.799 -12.289 -7.948 1.00 0.00 H new ATOM 495 N GLU A 30 -1.138 -11.396 -12.296 1.00 0.00 N ATOM 496 CA GLU A 30 -0.121 -10.515 -12.831 1.00 0.00 C ATOM 497 C GLU A 30 -0.753 -9.667 -13.930 1.00 0.00 C ATOM 498 O GLU A 30 -1.026 -10.153 -15.029 1.00 0.00 O ATOM 499 CB GLU A 30 1.065 -11.323 -13.353 1.00 0.00 C ATOM 500 CG GLU A 30 2.345 -10.518 -13.475 1.00 0.00 C ATOM 501 CD GLU A 30 3.549 -11.397 -13.727 1.00 0.00 C ATOM 502 OE1 GLU A 30 3.998 -11.483 -14.887 1.00 0.00 O ATOM 503 OE2 GLU A 30 4.047 -12.026 -12.766 1.00 0.00 O ATOM 0 H GLU A 30 -1.127 -12.343 -12.675 1.00 0.00 H new ATOM 0 HA GLU A 30 0.263 -9.859 -12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.240 -12.167 -12.686 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.811 -11.735 -14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.245 -9.800 -14.289 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.500 -9.945 -12.561 1.00 0.00 H new ATOM 510 N VAL A 31 -1.006 -8.404 -13.614 1.00 0.00 N ATOM 511 CA VAL A 31 -1.835 -7.551 -14.454 1.00 0.00 C ATOM 512 C VAL A 31 -1.000 -6.513 -15.205 1.00 0.00 C ATOM 513 O VAL A 31 0.124 -6.194 -14.812 1.00 0.00 O ATOM 514 CB VAL A 31 -2.913 -6.833 -13.598 1.00 0.00 C ATOM 515 CG1 VAL A 31 -2.278 -5.833 -12.645 1.00 0.00 C ATOM 516 CG2 VAL A 31 -3.960 -6.155 -14.473 1.00 0.00 C ATOM 0 H VAL A 31 -0.646 -7.946 -12.777 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.321 -8.192 -15.189 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.419 -7.595 -13.005 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.056 -5.345 -12.058 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.592 -6.353 -11.977 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.730 -5.083 -13.216 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.699 -5.662 -13.841 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.477 -5.415 -15.111 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.454 -6.902 -15.094 1.00 0.00 H new ATOM 526 N LEU A 32 -1.559 -5.999 -16.295 1.00 0.00 N ATOM 527 CA LEU A 32 -0.923 -4.943 -17.059 1.00 0.00 C ATOM 528 C LEU A 32 -1.316 -3.590 -16.468 1.00 0.00 C ATOM 529 O LEU A 32 -2.478 -3.174 -16.558 1.00 0.00 O ATOM 530 CB LEU A 32 -1.339 -5.039 -18.536 1.00 0.00 C ATOM 531 CG LEU A 32 -0.341 -4.467 -19.555 1.00 0.00 C ATOM 532 CD1 LEU A 32 -0.771 -4.823 -20.969 1.00 0.00 C ATOM 533 CD2 LEU A 32 -0.207 -2.957 -19.417 1.00 0.00 C ATOM 0 H LEU A 32 -2.459 -6.303 -16.668 1.00 0.00 H new ATOM 0 HA LEU A 32 0.161 -5.049 -17.006 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.513 -6.088 -18.777 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.291 -4.522 -18.659 1.00 0.00 H new ATOM 0 HG LEU A 32 0.633 -4.912 -19.351 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.056 -4.412 -21.681 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.808 -5.907 -21.076 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.759 -4.406 -21.165 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.507 -2.586 -20.153 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.177 -2.489 -19.584 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.146 -2.713 -18.415 1.00 0.00 H new ATOM 545 N LEU A 33 -0.352 -2.928 -15.844 1.00 0.00 N ATOM 546 CA LEU A 33 -0.583 -1.637 -15.204 1.00 0.00 C ATOM 547 C LEU A 33 -0.908 -0.563 -16.237 1.00 0.00 C ATOM 548 O LEU A 33 -0.328 -0.536 -17.322 1.00 0.00 O ATOM 549 CB LEU A 33 0.650 -1.230 -14.389 1.00 0.00 C ATOM 550 CG LEU A 33 0.590 0.160 -13.746 1.00 0.00 C ATOM 551 CD1 LEU A 33 -0.593 0.265 -12.793 1.00 0.00 C ATOM 552 CD2 LEU A 33 1.890 0.463 -13.018 1.00 0.00 C ATOM 0 H LEU A 33 0.607 -3.266 -15.766 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.439 -1.734 -14.537 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.803 -1.968 -13.602 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.523 -1.272 -15.040 1.00 0.00 H new ATOM 0 HG LEU A 33 0.455 0.897 -14.537 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.615 1.260 -12.349 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.519 0.092 -13.342 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.493 -0.482 -12.005 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.832 1.453 -12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.053 -0.282 -12.239 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.718 0.435 -13.726 1.00 0.00 H new ATOM 564 N HIS A 34 -1.849 0.308 -15.902 1.00 0.00 N ATOM 565 CA HIS A 34 -2.200 1.410 -16.780 1.00 0.00 C ATOM 566 C HIS A 34 -2.153 2.746 -16.042 1.00 0.00 C ATOM 567 O HIS A 34 -1.079 3.309 -15.857 1.00 0.00 O ATOM 568 CB HIS A 34 -3.573 1.191 -17.421 1.00 0.00 C ATOM 569 CG HIS A 34 -3.554 0.229 -18.570 1.00 0.00 C ATOM 570 ND1 HIS A 34 -3.489 0.639 -19.881 1.00 0.00 N ATOM 571 CD2 HIS A 34 -3.596 -1.123 -18.607 1.00 0.00 C ATOM 572 CE1 HIS A 34 -3.492 -0.412 -20.673 1.00 0.00 C ATOM 573 NE2 HIS A 34 -3.557 -1.496 -19.928 1.00 0.00 N ATOM 0 H HIS A 34 -2.380 0.272 -15.032 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.457 1.442 -17.577 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.264 0.824 -16.662 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.960 2.149 -17.767 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.650 -1.786 -17.756 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.448 -0.389 -21.752 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.575 -2.455 -20.275 1.00 0.00 H new ATOM 582 N ASP A 35 -3.298 3.204 -15.552 1.00 0.00 N ATOM 583 CA ASP A 35 -3.408 4.556 -15.007 1.00 0.00 C ATOM 584 C ASP A 35 -3.797 4.503 -13.540 1.00 0.00 C ATOM 585 O ASP A 35 -4.499 3.593 -13.112 1.00 0.00 O ATOM 586 CB ASP A 35 -4.448 5.367 -15.797 1.00 0.00 C ATOM 587 CG ASP A 35 -3.992 5.699 -17.206 1.00 0.00 C ATOM 588 OD1 ASP A 35 -3.811 6.903 -17.499 1.00 0.00 O ATOM 589 OD2 ASP A 35 -3.822 4.760 -18.026 1.00 0.00 O ATOM 0 H ASP A 35 -4.162 2.663 -15.520 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.438 5.045 -15.097 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.380 4.804 -15.845 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.662 6.292 -15.262 1.00 0.00 H new ATOM 594 N VAL A 36 -3.337 5.475 -12.765 1.00 0.00 N ATOM 595 CA VAL A 36 -3.564 5.461 -11.327 1.00 0.00 C ATOM 596 C VAL A 36 -3.871 6.868 -10.804 1.00 0.00 C ATOM 597 O VAL A 36 -3.445 7.866 -11.392 1.00 0.00 O ATOM 598 CB VAL A 36 -2.336 4.866 -10.589 1.00 0.00 C ATOM 599 CG1 VAL A 36 -1.116 5.769 -10.734 1.00 0.00 C ATOM 600 CG2 VAL A 36 -2.648 4.599 -9.121 1.00 0.00 C ATOM 0 H VAL A 36 -2.808 6.278 -13.105 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.430 4.830 -11.129 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.102 3.910 -11.057 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.271 5.326 -10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.868 5.879 -11.790 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.336 6.749 -10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.768 4.182 -8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.927 5.533 -8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.473 3.891 -9.047 1.00 0.00 H new ATOM 610 N SER A 37 -4.633 6.935 -9.720 1.00 0.00 N ATOM 611 CA SER A 37 -4.949 8.196 -9.071 1.00 0.00 C ATOM 612 C SER A 37 -4.980 8.006 -7.562 1.00 0.00 C ATOM 613 O SER A 37 -4.712 6.917 -7.055 1.00 0.00 O ATOM 614 CB SER A 37 -6.309 8.730 -9.537 1.00 0.00 C ATOM 615 OG SER A 37 -7.339 7.796 -9.261 1.00 0.00 O ATOM 0 H SER A 37 -5.047 6.119 -9.269 1.00 0.00 H new ATOM 0 HA SER A 37 -4.177 8.917 -9.341 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.525 9.674 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.276 8.936 -10.607 1.00 0.00 H new ATOM 0 HG SER A 37 -6.943 6.956 -8.947 1.00 0.00 H new ATOM 621 N LEU A 38 -5.330 9.063 -6.851 1.00 0.00 N ATOM 622 CA LEU A 38 -5.512 8.990 -5.406 1.00 0.00 C ATOM 623 C LEU A 38 -6.915 8.474 -5.091 1.00 0.00 C ATOM 624 O LEU A 38 -7.266 8.229 -3.938 1.00 0.00 O ATOM 625 CB LEU A 38 -5.291 10.374 -4.777 1.00 0.00 C ATOM 626 CG LEU A 38 -5.346 10.422 -3.247 1.00 0.00 C ATOM 627 CD1 LEU A 38 -4.284 9.519 -2.643 1.00 0.00 C ATOM 628 CD2 LEU A 38 -5.177 11.851 -2.752 1.00 0.00 C ATOM 0 H LEU A 38 -5.495 9.987 -7.250 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.781 8.300 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.320 10.749 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.043 11.057 -5.171 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.323 10.060 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.340 9.568 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.451 8.492 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.298 9.848 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.219 11.866 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.214 12.239 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.977 12.472 -3.154 1.00 0.00 H new ATOM 640 N HIS A 39 -7.708 8.297 -6.143 1.00 0.00 N ATOM 641 CA HIS A 39 -9.102 7.879 -6.010 1.00 0.00 C ATOM 642 C HIS A 39 -9.206 6.391 -6.245 1.00 0.00 C ATOM 643 O HIS A 39 -10.185 5.744 -5.878 1.00 0.00 O ATOM 644 CB HIS A 39 -9.974 8.606 -7.033 1.00 0.00 C ATOM 645 CG HIS A 39 -9.640 10.051 -7.164 1.00 0.00 C ATOM 646 ND1 HIS A 39 -9.605 10.711 -8.362 1.00 0.00 N ATOM 647 CD2 HIS A 39 -9.302 10.957 -6.231 1.00 0.00 C ATOM 648 CE1 HIS A 39 -9.261 11.965 -8.160 1.00 0.00 C ATOM 649 NE2 HIS A 39 -9.076 12.148 -6.870 1.00 0.00 N ATOM 0 H HIS A 39 -7.406 8.438 -7.107 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.447 8.124 -5.005 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.862 8.124 -8.004 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -11.021 8.506 -6.746 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.223 10.779 -5.169 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.149 12.719 -8.926 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.810 13.025 -6.423 1.00 0.00 H new ATOM 658 N GLY A 40 -8.165 5.862 -6.849 1.00 0.00 N ATOM 659 CA GLY A 40 -8.146 4.470 -7.226 1.00 0.00 C ATOM 660 C GLY A 40 -7.212 4.210 -8.385 1.00 0.00 C ATOM 661 O GLY A 40 -6.240 4.940 -8.575 1.00 0.00 O ATOM 0 H GLY A 40 -7.319 6.378 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.840 3.867 -6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.154 4.153 -7.495 1.00 0.00 H new ATOM 665 N ILE A 41 -7.520 3.201 -9.182 1.00 0.00 N ATOM 666 CA ILE A 41 -6.617 2.776 -10.248 1.00 0.00 C ATOM 667 C ILE A 41 -7.388 2.098 -11.385 1.00 0.00 C ATOM 668 O ILE A 41 -8.443 1.510 -11.162 1.00 0.00 O ATOM 669 CB ILE A 41 -5.531 1.818 -9.689 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.506 1.442 -10.764 1.00 0.00 C ATOM 671 CG2 ILE A 41 -6.172 0.570 -9.103 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.383 0.560 -10.256 1.00 0.00 C ATOM 0 H ILE A 41 -8.383 2.661 -9.115 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.129 3.664 -10.650 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.001 2.345 -8.896 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.018 0.929 -11.578 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.079 2.354 -11.181 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.396 -0.090 -8.716 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.845 0.853 -8.293 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.735 0.052 -9.879 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.698 0.336 -11.074 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.844 1.078 -9.462 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.798 -0.369 -9.866 1.00 0.00 H new ATOM 684 N LEU A 42 -6.867 2.214 -12.599 1.00 0.00 N ATOM 685 CA LEU A 42 -7.465 1.594 -13.773 1.00 0.00 C ATOM 686 C LEU A 42 -6.452 0.664 -14.435 1.00 0.00 C ATOM 687 O LEU A 42 -5.352 1.089 -14.795 1.00 0.00 O ATOM 688 CB LEU A 42 -7.904 2.667 -14.774 1.00 0.00 C ATOM 689 CG LEU A 42 -8.562 2.137 -16.053 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.975 1.654 -15.773 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.563 3.202 -17.139 1.00 0.00 C ATOM 0 H LEU A 42 -6.017 2.741 -12.797 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.338 1.021 -13.461 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.603 3.340 -14.277 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.033 3.260 -15.052 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.977 1.288 -16.408 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.422 1.282 -16.695 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.946 0.852 -15.035 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.572 2.480 -15.388 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.035 2.805 -18.038 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.118 4.074 -16.793 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.537 3.492 -17.365 1.00 0.00 H new ATOM 703 N VAL A 43 -6.817 -0.601 -14.594 1.00 0.00 N ATOM 704 CA VAL A 43 -5.908 -1.583 -15.174 1.00 0.00 C ATOM 705 C VAL A 43 -6.569 -2.351 -16.310 1.00 0.00 C ATOM 706 O VAL A 43 -7.741 -2.135 -16.620 1.00 0.00 O ATOM 707 CB VAL A 43 -5.427 -2.601 -14.122 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.646 -1.914 -13.013 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.609 -3.373 -13.560 1.00 0.00 C ATOM 0 H VAL A 43 -7.731 -0.971 -14.332 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.056 -1.021 -15.556 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.754 -3.307 -14.608 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.319 -2.656 -12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.776 -1.414 -13.437 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.283 -1.179 -12.521 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.256 -4.089 -12.818 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.307 -2.679 -13.092 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.113 -3.905 -14.367 1.00 0.00 H new ATOM 719 N GLY A 44 -5.804 -3.247 -16.917 1.00 0.00 N ATOM 720 CA GLY A 44 -6.339 -4.126 -17.936 1.00 0.00 C ATOM 721 C GLY A 44 -6.179 -5.575 -17.533 1.00 0.00 C ATOM 722 O GLY A 44 -5.066 -6.102 -17.523 1.00 0.00 O ATOM 0 H GLY A 44 -4.812 -3.381 -16.719 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.394 -3.903 -18.098 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.827 -3.948 -18.882 1.00 0.00 H new ATOM 726 N GLN A 45 -7.287 -6.213 -17.194 1.00 0.00 N ATOM 727 CA GLN A 45 -7.259 -7.550 -16.615 1.00 0.00 C ATOM 728 C GLN A 45 -7.602 -8.615 -17.654 1.00 0.00 C ATOM 729 O GLN A 45 -8.547 -8.452 -18.427 1.00 0.00 O ATOM 730 CB GLN A 45 -8.256 -7.617 -15.454 1.00 0.00 C ATOM 731 CG GLN A 45 -8.249 -8.927 -14.680 1.00 0.00 C ATOM 732 CD GLN A 45 -7.023 -9.089 -13.799 1.00 0.00 C ATOM 733 OE1 GLN A 45 -5.945 -8.592 -14.107 1.00 0.00 O ATOM 734 NE2 GLN A 45 -7.187 -9.786 -12.690 1.00 0.00 N ATOM 0 H GLN A 45 -8.223 -5.825 -17.310 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.250 -7.749 -16.254 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.042 -6.802 -14.763 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.259 -7.448 -15.845 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.144 -8.982 -14.061 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.297 -9.758 -15.383 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.100 -10.184 -12.468 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.401 -9.927 -12.055 1.00 0.00 H new ATOM 743 N PRO A 46 -6.824 -9.710 -17.700 1.00 0.00 N ATOM 744 CA PRO A 46 -7.143 -10.873 -18.534 1.00 0.00 C ATOM 745 C PRO A 46 -8.350 -11.640 -17.990 1.00 0.00 C ATOM 746 O PRO A 46 -8.839 -11.356 -16.891 1.00 0.00 O ATOM 747 CB PRO A 46 -5.877 -11.730 -18.454 1.00 0.00 C ATOM 748 CG PRO A 46 -5.241 -11.347 -17.164 1.00 0.00 C ATOM 749 CD PRO A 46 -5.561 -9.891 -16.963 1.00 0.00 C ATOM 0 HA PRO A 46 -7.410 -10.593 -19.553 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.117 -12.793 -18.477 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.213 -11.535 -19.296 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.630 -11.949 -16.343 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.164 -11.509 -17.196 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.675 -9.647 -15.907 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.772 -9.249 -17.355 1.00 0.00 H new ATOM 757 N GLN A 47 -8.824 -12.617 -18.750 1.00 0.00 N ATOM 758 CA GLN A 47 -10.014 -13.367 -18.370 1.00 0.00 C ATOM 759 C GLN A 47 -9.729 -14.369 -17.253 1.00 0.00 C ATOM 760 O GLN A 47 -9.366 -15.519 -17.509 1.00 0.00 O ATOM 761 CB GLN A 47 -10.606 -14.079 -19.582 1.00 0.00 C ATOM 762 CG GLN A 47 -11.144 -13.127 -20.635 1.00 0.00 C ATOM 763 CD GLN A 47 -11.716 -13.852 -21.833 1.00 0.00 C ATOM 764 OE1 GLN A 47 -12.897 -14.194 -21.855 1.00 0.00 O ATOM 765 NE2 GLN A 47 -10.889 -14.091 -22.836 1.00 0.00 N ATOM 0 H GLN A 47 -8.404 -12.909 -19.632 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.740 -12.649 -17.988 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.841 -14.712 -20.032 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.410 -14.736 -19.251 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.917 -12.499 -20.192 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.344 -12.464 -20.964 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.916 -13.790 -22.778 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.224 -14.576 -23.668 1.00 0.00 H new ATOM 774 N ASP A 48 -9.853 -13.898 -16.019 1.00 0.00 N ATOM 775 CA ASP A 48 -9.795 -14.753 -14.834 1.00 0.00 C ATOM 776 C ASP A 48 -10.305 -13.965 -13.632 1.00 0.00 C ATOM 777 O ASP A 48 -10.048 -14.304 -12.478 1.00 0.00 O ATOM 778 CB ASP A 48 -8.365 -15.250 -14.574 1.00 0.00 C ATOM 779 CG ASP A 48 -8.319 -16.380 -13.559 1.00 0.00 C ATOM 780 OD1 ASP A 48 -8.788 -17.490 -13.884 1.00 0.00 O ATOM 781 OD2 ASP A 48 -7.816 -16.169 -12.432 1.00 0.00 O ATOM 0 H ASP A 48 -9.997 -12.911 -15.808 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.422 -15.629 -15.000 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.925 -15.590 -15.512 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.754 -14.420 -14.218 1.00 0.00 H new ATOM 786 N TRP A 49 -11.056 -12.911 -13.923 1.00 0.00 N ATOM 787 CA TRP A 49 -11.527 -11.997 -12.897 1.00 0.00 C ATOM 788 C TRP A 49 -12.580 -12.664 -12.020 1.00 0.00 C ATOM 789 O TRP A 49 -13.536 -13.257 -12.525 1.00 0.00 O ATOM 790 CB TRP A 49 -12.096 -10.733 -13.546 1.00 0.00 C ATOM 791 CG TRP A 49 -12.428 -9.656 -12.561 1.00 0.00 C ATOM 792 CD1 TRP A 49 -13.646 -9.076 -12.354 1.00 0.00 C ATOM 793 CD2 TRP A 49 -11.523 -9.033 -11.645 1.00 0.00 C ATOM 794 NE1 TRP A 49 -13.552 -8.126 -11.367 1.00 0.00 N ATOM 795 CE2 TRP A 49 -12.257 -8.079 -10.917 1.00 0.00 C ATOM 796 CE3 TRP A 49 -10.161 -9.186 -11.374 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -11.672 -7.289 -9.934 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -9.583 -8.400 -10.399 1.00 0.00 C ATOM 799 CH2 TRP A 49 -10.336 -7.461 -9.690 1.00 0.00 C ATOM 0 H TRP A 49 -11.352 -12.669 -14.869 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.684 -11.722 -12.263 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.374 -10.347 -14.266 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.995 -10.994 -14.105 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.551 -9.327 -12.888 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -14.320 -7.549 -11.024 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.571 -9.908 -11.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.252 -6.564 -9.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.531 -8.512 -10.180 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.854 -6.859 -8.934 1.00 0.00 H new ATOM 810 N ASN A 50 -12.394 -12.571 -10.711 1.00 0.00 N ATOM 811 CA ASN A 50 -13.320 -13.161 -9.758 1.00 0.00 C ATOM 812 C ASN A 50 -13.243 -12.435 -8.426 1.00 0.00 C ATOM 813 O ASN A 50 -12.173 -11.974 -8.025 1.00 0.00 O ATOM 814 CB ASN A 50 -13.015 -14.651 -9.568 1.00 0.00 C ATOM 815 CG ASN A 50 -13.914 -15.307 -8.537 1.00 0.00 C ATOM 816 OD1 ASN A 50 -13.537 -15.481 -7.377 1.00 0.00 O ATOM 817 ND2 ASN A 50 -15.125 -15.641 -8.947 1.00 0.00 N ATOM 0 H ASN A 50 -11.604 -12.088 -10.283 1.00 0.00 H new ATOM 0 HA ASN A 50 -14.331 -13.060 -10.152 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.128 -15.165 -10.522 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.975 -14.769 -9.264 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.787 -16.060 -8.294 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.398 -15.480 -9.917 1.00 0.00 H new ATOM 824 N GLY A 51 -14.382 -12.317 -7.759 1.00 0.00 N ATOM 825 CA GLY A 51 -14.428 -11.673 -6.467 1.00 0.00 C ATOM 826 C GLY A 51 -15.578 -10.700 -6.364 1.00 0.00 C ATOM 827 O GLY A 51 -16.203 -10.571 -5.306 1.00 0.00 O ATOM 0 H GLY A 51 -15.282 -12.660 -8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.521 -12.429 -5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.490 -11.147 -6.290 1.00 0.00 H new ATOM 831 N ASP A 52 -15.861 -10.024 -7.479 1.00 0.00 N ATOM 832 CA ASP A 52 -16.909 -8.999 -7.541 1.00 0.00 C ATOM 833 C ASP A 52 -16.591 -7.827 -6.608 1.00 0.00 C ATOM 834 O ASP A 52 -15.616 -7.872 -5.856 1.00 0.00 O ATOM 835 CB ASP A 52 -18.281 -9.603 -7.196 1.00 0.00 C ATOM 836 CG ASP A 52 -18.786 -10.545 -8.265 1.00 0.00 C ATOM 837 OD1 ASP A 52 -19.098 -10.074 -9.379 1.00 0.00 O ATOM 838 OD2 ASP A 52 -18.886 -11.757 -7.992 1.00 0.00 O ATOM 0 H ASP A 52 -15.373 -10.170 -8.363 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.944 -8.619 -8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -18.211 -10.138 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -19.003 -8.799 -7.055 1.00 0.00 H new ATOM 843 N PRO A 53 -17.398 -6.747 -6.640 1.00 0.00 N ATOM 844 CA PRO A 53 -17.246 -5.623 -5.700 1.00 0.00 C ATOM 845 C PRO A 53 -17.614 -6.000 -4.257 1.00 0.00 C ATOM 846 O PRO A 53 -18.035 -5.154 -3.467 1.00 0.00 O ATOM 847 CB PRO A 53 -18.216 -4.571 -6.246 1.00 0.00 C ATOM 848 CG PRO A 53 -19.234 -5.349 -7.007 1.00 0.00 C ATOM 849 CD PRO A 53 -18.490 -6.505 -7.609 1.00 0.00 C ATOM 0 HA PRO A 53 -16.212 -5.282 -5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.676 -4.001 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.703 -3.856 -6.889 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -20.033 -5.696 -6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.699 -4.736 -7.780 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -19.130 -7.380 -7.722 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -18.103 -6.263 -8.599 1.00 0.00 H new ATOM 857 N GLN A 54 -17.439 -7.272 -3.920 1.00 0.00 N ATOM 858 CA GLN A 54 -17.706 -7.766 -2.582 1.00 0.00 C ATOM 859 C GLN A 54 -16.396 -8.188 -1.929 1.00 0.00 C ATOM 860 O GLN A 54 -16.309 -8.339 -0.711 1.00 0.00 O ATOM 861 CB GLN A 54 -18.667 -8.957 -2.636 1.00 0.00 C ATOM 862 CG GLN A 54 -19.983 -8.656 -3.340 1.00 0.00 C ATOM 863 CD GLN A 54 -20.898 -9.864 -3.397 1.00 0.00 C ATOM 864 OE1 GLN A 54 -21.719 -10.080 -2.504 1.00 0.00 O ATOM 865 NE2 GLN A 54 -20.763 -10.660 -4.446 1.00 0.00 N ATOM 0 H GLN A 54 -17.108 -7.987 -4.568 1.00 0.00 H new ATOM 0 HA GLN A 54 -18.168 -6.973 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.175 -9.786 -3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.878 -9.288 -1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -20.491 -7.843 -2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -19.779 -8.310 -4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -20.071 -10.445 -5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.351 -11.488 -4.537 1.00 0.00 H new ATOM 874 N ARG A 55 -15.375 -8.371 -2.756 1.00 0.00 N ATOM 875 CA ARG A 55 -14.074 -8.790 -2.281 1.00 0.00 C ATOM 876 C ARG A 55 -13.064 -7.665 -2.399 1.00 0.00 C ATOM 877 O ARG A 55 -12.953 -7.025 -3.446 1.00 0.00 O ATOM 878 CB ARG A 55 -13.584 -10.011 -3.060 1.00 0.00 C ATOM 879 CG ARG A 55 -14.411 -11.254 -2.807 1.00 0.00 C ATOM 880 CD ARG A 55 -14.479 -11.572 -1.326 1.00 0.00 C ATOM 881 NE ARG A 55 -15.360 -12.703 -1.050 1.00 0.00 N ATOM 882 CZ ARG A 55 -15.036 -13.723 -0.254 1.00 0.00 C ATOM 883 NH1 ARG A 55 -13.837 -13.777 0.312 1.00 0.00 N ATOM 884 NH2 ARG A 55 -15.912 -14.691 -0.026 1.00 0.00 N ATOM 0 H ARG A 55 -15.429 -8.233 -3.765 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.174 -9.058 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.599 -9.783 -4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.547 -10.212 -2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.418 -11.110 -3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.978 -12.098 -3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.478 -11.794 -0.956 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.833 -10.696 -0.783 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.279 -12.714 -1.493 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.158 -13.036 0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.595 -14.559 0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.835 -14.656 -0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.663 -15.471 0.583 1.00 0.00 H new ATOM 898 N PRO A 56 -12.349 -7.390 -1.303 1.00 0.00 N ATOM 899 CA PRO A 56 -11.225 -6.456 -1.303 1.00 0.00 C ATOM 900 C PRO A 56 -10.167 -6.856 -2.322 1.00 0.00 C ATOM 901 O PRO A 56 -9.788 -8.028 -2.411 1.00 0.00 O ATOM 902 CB PRO A 56 -10.653 -6.563 0.114 1.00 0.00 C ATOM 903 CG PRO A 56 -11.762 -7.109 0.944 1.00 0.00 C ATOM 904 CD PRO A 56 -12.605 -7.956 0.029 1.00 0.00 C ATOM 0 HA PRO A 56 -11.536 -5.446 -1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.783 -7.219 0.139 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.328 -5.590 0.482 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.372 -7.702 1.771 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.353 -6.303 1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.319 -9.007 0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.661 -7.900 0.292 1.00 0.00 H new ATOM 912 N PHE A 57 -9.700 -5.891 -3.090 1.00 0.00 N ATOM 913 CA PHE A 57 -8.694 -6.142 -4.103 1.00 0.00 C ATOM 914 C PHE A 57 -7.409 -5.401 -3.743 1.00 0.00 C ATOM 915 O PHE A 57 -7.448 -4.329 -3.145 1.00 0.00 O ATOM 916 CB PHE A 57 -9.219 -5.724 -5.489 1.00 0.00 C ATOM 917 CG PHE A 57 -10.409 -6.534 -5.942 1.00 0.00 C ATOM 918 CD1 PHE A 57 -11.571 -5.929 -6.423 1.00 0.00 C ATOM 919 CD2 PHE A 57 -10.373 -7.917 -5.860 1.00 0.00 C ATOM 920 CE1 PHE A 57 -12.654 -6.696 -6.811 1.00 0.00 C ATOM 921 CE2 PHE A 57 -11.453 -8.683 -6.252 1.00 0.00 C ATOM 922 CZ PHE A 57 -12.594 -8.072 -6.725 1.00 0.00 C ATOM 0 H PHE A 57 -10.004 -4.919 -3.031 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.473 -7.209 -4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.494 -4.669 -5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.417 -5.827 -6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.625 -4.853 -6.493 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.486 -8.404 -5.483 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.548 -6.217 -7.182 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.403 -9.760 -6.188 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.441 -8.670 -7.028 1.00 0.00 H new ATOM 932 N GLU A 58 -6.275 -5.991 -4.065 1.00 0.00 N ATOM 933 CA GLU A 58 -4.988 -5.389 -3.746 1.00 0.00 C ATOM 934 C GLU A 58 -4.200 -5.099 -5.010 1.00 0.00 C ATOM 935 O GLU A 58 -4.231 -5.877 -5.959 1.00 0.00 O ATOM 936 CB GLU A 58 -4.178 -6.313 -2.836 1.00 0.00 C ATOM 937 CG GLU A 58 -4.803 -6.527 -1.468 1.00 0.00 C ATOM 938 CD GLU A 58 -4.006 -7.479 -0.605 1.00 0.00 C ATOM 939 OE1 GLU A 58 -4.466 -8.624 -0.398 1.00 0.00 O ATOM 940 OE2 GLU A 58 -2.924 -7.088 -0.123 1.00 0.00 O ATOM 0 H GLU A 58 -6.215 -6.887 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.176 -4.449 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.060 -7.279 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.179 -5.897 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.890 -5.567 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.814 -6.915 -1.592 1.00 0.00 H new ATOM 947 N ALA A 59 -3.507 -3.973 -5.021 1.00 0.00 N ATOM 948 CA ALA A 59 -2.633 -3.625 -6.128 1.00 0.00 C ATOM 949 C ALA A 59 -1.188 -3.540 -5.652 1.00 0.00 C ATOM 950 O ALA A 59 -0.838 -2.682 -4.836 1.00 0.00 O ATOM 951 CB ALA A 59 -3.073 -2.318 -6.769 1.00 0.00 C ATOM 0 H ALA A 59 -3.533 -3.281 -4.272 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.699 -4.407 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.405 -2.075 -7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.092 -2.421 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.038 -1.519 -6.028 1.00 0.00 H new ATOM 957 N ARG A 60 -0.371 -4.460 -6.136 1.00 0.00 N ATOM 958 CA ARG A 60 1.036 -4.517 -5.770 1.00 0.00 C ATOM 959 C ARG A 60 1.896 -3.990 -6.916 1.00 0.00 C ATOM 960 O ARG A 60 1.922 -4.576 -7.998 1.00 0.00 O ATOM 961 CB ARG A 60 1.415 -5.961 -5.429 1.00 0.00 C ATOM 962 CG ARG A 60 2.848 -6.136 -4.963 1.00 0.00 C ATOM 963 CD ARG A 60 3.194 -7.606 -4.782 1.00 0.00 C ATOM 964 NE ARG A 60 2.458 -8.232 -3.682 1.00 0.00 N ATOM 965 CZ ARG A 60 2.266 -9.548 -3.572 1.00 0.00 C ATOM 966 NH1 ARG A 60 2.643 -10.363 -4.553 1.00 0.00 N ATOM 967 NH2 ARG A 60 1.659 -10.044 -2.499 1.00 0.00 N ATOM 0 H ARG A 60 -0.662 -5.186 -6.791 1.00 0.00 H new ATOM 0 HA ARG A 60 1.211 -3.890 -4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.745 -6.326 -4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.252 -6.584 -6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.526 -5.687 -5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.994 -5.607 -4.021 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.980 -8.141 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.264 -7.703 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 60 2.070 -7.627 -2.958 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.080 -9.983 -5.392 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.495 -11.368 -4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.340 -9.419 -1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.512 -11.050 -2.415 1.00 0.00 H new ATOM 981 N LEU A 61 2.577 -2.876 -6.683 1.00 0.00 N ATOM 982 CA LEU A 61 3.396 -2.239 -7.711 1.00 0.00 C ATOM 983 C LEU A 61 4.883 -2.373 -7.393 1.00 0.00 C ATOM 984 O LEU A 61 5.352 -1.899 -6.354 1.00 0.00 O ATOM 985 CB LEU A 61 3.035 -0.754 -7.829 1.00 0.00 C ATOM 986 CG LEU A 61 1.576 -0.454 -8.180 1.00 0.00 C ATOM 987 CD1 LEU A 61 1.325 1.047 -8.173 1.00 0.00 C ATOM 988 CD2 LEU A 61 1.224 -1.041 -9.535 1.00 0.00 C ATOM 0 H LEU A 61 2.579 -2.391 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 61 3.195 -2.743 -8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.270 -0.265 -6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.673 -0.303 -8.589 1.00 0.00 H new ATOM 0 HG LEU A 61 0.939 -0.916 -7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.283 1.243 -8.425 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.540 1.447 -7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.972 1.527 -8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.183 -0.818 -9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.868 -0.606 -10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.368 -2.121 -9.512 1.00 0.00 H new ATOM 1000 N TYR A 62 5.621 -3.012 -8.290 1.00 0.00 N ATOM 1001 CA TYR A 62 7.064 -3.154 -8.135 1.00 0.00 C ATOM 1002 C TYR A 62 7.801 -2.036 -8.861 1.00 0.00 C ATOM 1003 O TYR A 62 7.801 -1.982 -10.092 1.00 0.00 O ATOM 1004 CB TYR A 62 7.541 -4.502 -8.677 1.00 0.00 C ATOM 1005 CG TYR A 62 7.141 -5.684 -7.827 1.00 0.00 C ATOM 1006 CD1 TYR A 62 5.978 -6.396 -8.090 1.00 0.00 C ATOM 1007 CD2 TYR A 62 7.937 -6.089 -6.765 1.00 0.00 C ATOM 1008 CE1 TYR A 62 5.619 -7.480 -7.313 1.00 0.00 C ATOM 1009 CE2 TYR A 62 7.585 -7.171 -5.984 1.00 0.00 C ATOM 1010 CZ TYR A 62 6.428 -7.863 -6.262 1.00 0.00 C ATOM 1011 OH TYR A 62 6.077 -8.940 -5.485 1.00 0.00 O ATOM 0 H TYR A 62 5.244 -3.442 -9.135 1.00 0.00 H new ATOM 0 HA TYR A 62 7.284 -3.097 -7.069 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.142 -4.639 -9.682 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.627 -4.482 -8.765 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.346 -6.098 -8.913 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.846 -5.549 -6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 62 4.711 -8.025 -7.526 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.214 -7.473 -5.159 1.00 0.00 H new ATOM 0 HH TYR A 62 6.754 -9.076 -4.790 1.00 0.00 H new ATOM 1021 N LEU A 63 8.424 -1.143 -8.102 1.00 0.00 N ATOM 1022 CA LEU A 63 9.231 -0.077 -8.688 1.00 0.00 C ATOM 1023 C LEU A 63 10.700 -0.298 -8.351 1.00 0.00 C ATOM 1024 O LEU A 63 11.581 0.436 -8.805 1.00 0.00 O ATOM 1025 CB LEU A 63 8.770 1.307 -8.198 1.00 0.00 C ATOM 1026 CG LEU A 63 7.523 1.881 -8.886 1.00 0.00 C ATOM 1027 CD1 LEU A 63 7.722 1.938 -10.391 1.00 0.00 C ATOM 1028 CD2 LEU A 63 6.282 1.073 -8.542 1.00 0.00 C ATOM 0 H LEU A 63 8.387 -1.134 -7.083 1.00 0.00 H new ATOM 0 HA LEU A 63 9.102 -0.105 -9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.575 1.245 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.592 2.011 -8.332 1.00 0.00 H new ATOM 0 HG LEU A 63 7.375 2.896 -8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.828 2.347 -10.861 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.577 2.574 -10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.905 0.933 -10.772 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.416 1.504 -9.044 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.416 0.042 -8.871 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.123 1.092 -7.464 1.00 0.00 H new ATOM 1040 N GLY A 64 10.949 -1.319 -7.544 1.00 0.00 N ATOM 1041 CA GLY A 64 12.297 -1.677 -7.169 1.00 0.00 C ATOM 1042 C GLY A 64 12.293 -2.822 -6.186 1.00 0.00 C ATOM 1043 O GLY A 64 11.226 -3.328 -5.836 1.00 0.00 O ATOM 0 H GLY A 64 10.226 -1.913 -7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.864 -1.956 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.798 -0.815 -6.728 1.00 0.00 H new ATOM 1047 N LEU A 65 13.468 -3.234 -5.732 1.00 0.00 N ATOM 1048 CA LEU A 65 13.561 -4.302 -4.744 1.00 0.00 C ATOM 1049 C LEU A 65 13.098 -3.799 -3.383 1.00 0.00 C ATOM 1050 O LEU A 65 12.496 -4.538 -2.606 1.00 0.00 O ATOM 1051 CB LEU A 65 14.990 -4.853 -4.650 1.00 0.00 C ATOM 1052 CG LEU A 65 15.424 -5.776 -5.796 1.00 0.00 C ATOM 1053 CD1 LEU A 65 15.602 -5.000 -7.093 1.00 0.00 C ATOM 1054 CD2 LEU A 65 16.708 -6.504 -5.425 1.00 0.00 C ATOM 0 H LEU A 65 14.365 -2.849 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 65 12.910 -5.115 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.682 -4.012 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.088 -5.399 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 65 14.636 -6.512 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.910 -5.682 -7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.659 -4.528 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 65 16.365 -4.234 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 65 17.007 -7.156 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.497 -5.776 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.541 -7.102 -4.529 1.00 0.00 H new ATOM 1066 N ASP A 66 13.384 -2.533 -3.104 1.00 0.00 N ATOM 1067 CA ASP A 66 12.956 -1.909 -1.856 1.00 0.00 C ATOM 1068 C ASP A 66 11.706 -1.065 -2.073 1.00 0.00 C ATOM 1069 O ASP A 66 10.874 -0.923 -1.175 1.00 0.00 O ATOM 1070 CB ASP A 66 14.079 -1.044 -1.281 1.00 0.00 C ATOM 1071 CG ASP A 66 13.645 -0.254 -0.061 1.00 0.00 C ATOM 1072 OD1 ASP A 66 13.456 -0.868 1.012 1.00 0.00 O ATOM 1073 OD2 ASP A 66 13.512 0.987 -0.169 1.00 0.00 O ATOM 0 H ASP A 66 13.910 -1.918 -3.724 1.00 0.00 H new ATOM 0 HA ASP A 66 12.719 -2.700 -1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.922 -1.681 -1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.430 -0.355 -2.049 1.00 0.00 H new ATOM 1078 N VAL A 67 11.564 -0.525 -3.277 1.00 0.00 N ATOM 1079 CA VAL A 67 10.451 0.359 -3.584 1.00 0.00 C ATOM 1080 C VAL A 67 9.216 -0.446 -3.975 1.00 0.00 C ATOM 1081 O VAL A 67 8.993 -0.744 -5.153 1.00 0.00 O ATOM 1082 CB VAL A 67 10.794 1.357 -4.711 1.00 0.00 C ATOM 1083 CG1 VAL A 67 9.687 2.388 -4.874 1.00 0.00 C ATOM 1084 CG2 VAL A 67 12.127 2.039 -4.439 1.00 0.00 C ATOM 0 H VAL A 67 12.205 -0.684 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 67 10.243 0.930 -2.679 1.00 0.00 H new ATOM 0 HB VAL A 67 10.880 0.799 -5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.950 3.081 -5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.754 1.883 -5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.563 2.939 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.349 2.738 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.073 2.580 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.915 1.288 -4.382 1.00 0.00 H new ATOM 1094 N LEU A 68 8.440 -0.825 -2.973 1.00 0.00 N ATOM 1095 CA LEU A 68 7.201 -1.550 -3.192 1.00 0.00 C ATOM 1096 C LEU A 68 6.016 -0.652 -2.865 1.00 0.00 C ATOM 1097 O LEU A 68 5.882 -0.166 -1.742 1.00 0.00 O ATOM 1098 CB LEU A 68 7.161 -2.813 -2.328 1.00 0.00 C ATOM 1099 CG LEU A 68 5.931 -3.702 -2.533 1.00 0.00 C ATOM 1100 CD1 LEU A 68 5.888 -4.241 -3.955 1.00 0.00 C ATOM 1101 CD2 LEU A 68 5.925 -4.842 -1.529 1.00 0.00 C ATOM 0 H LEU A 68 8.650 -0.640 -1.992 1.00 0.00 H new ATOM 0 HA LEU A 68 7.146 -1.847 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.054 -3.403 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.207 -2.519 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 68 5.040 -3.096 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.006 -4.870 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.842 -3.409 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.784 -4.830 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.044 -5.463 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.823 -5.446 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.903 -4.436 -0.518 1.00 0.00 H new ATOM 1113 N ILE A 69 5.170 -0.420 -3.850 1.00 0.00 N ATOM 1114 CA ILE A 69 4.009 0.430 -3.666 1.00 0.00 C ATOM 1115 C ILE A 69 2.747 -0.414 -3.595 1.00 0.00 C ATOM 1116 O ILE A 69 2.374 -1.070 -4.563 1.00 0.00 O ATOM 1117 CB ILE A 69 3.884 1.463 -4.807 1.00 0.00 C ATOM 1118 CG1 ILE A 69 5.143 2.336 -4.865 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.638 2.324 -4.624 1.00 0.00 C ATOM 1120 CD1 ILE A 69 5.137 3.342 -5.994 1.00 0.00 C ATOM 0 H ILE A 69 5.265 -0.809 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 69 4.136 0.971 -2.728 1.00 0.00 H new ATOM 0 HB ILE A 69 3.786 0.928 -5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.250 2.866 -3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.016 1.692 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.571 3.044 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.753 1.688 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.699 2.856 -3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.060 3.922 -5.970 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.062 2.819 -6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.285 4.012 -5.880 1.00 0.00 H new ATOM 1132 N ARG A 70 2.107 -0.419 -2.438 1.00 0.00 N ATOM 1133 CA ARG A 70 0.874 -1.167 -2.267 1.00 0.00 C ATOM 1134 C ARG A 70 -0.294 -0.211 -2.075 1.00 0.00 C ATOM 1135 O ARG A 70 -0.124 0.895 -1.553 1.00 0.00 O ATOM 1136 CB ARG A 70 0.967 -2.110 -1.064 1.00 0.00 C ATOM 1137 CG ARG A 70 0.964 -1.389 0.275 1.00 0.00 C ATOM 1138 CD ARG A 70 0.849 -2.354 1.441 1.00 0.00 C ATOM 1139 NE ARG A 70 0.661 -1.644 2.701 1.00 0.00 N ATOM 1140 CZ ARG A 70 0.850 -2.181 3.903 1.00 0.00 C ATOM 1141 NH1 ARG A 70 1.210 -3.456 4.023 1.00 0.00 N ATOM 1142 NH2 ARG A 70 0.662 -1.442 4.988 1.00 0.00 N ATOM 0 H ARG A 70 2.419 0.084 -1.607 1.00 0.00 H new ATOM 0 HA ARG A 70 0.713 -1.764 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.130 -2.807 -1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.878 -2.702 -1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.880 -0.807 0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.133 -0.684 0.305 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.011 -3.031 1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.748 -2.968 1.498 1.00 0.00 H new ATOM 0 HE ARG A 70 0.364 -0.669 2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.343 -4.029 3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.353 -3.861 4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.374 -0.468 4.898 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.805 -1.848 5.913 1.00 0.00 H new ATOM 1156 N MET A 71 -1.468 -0.634 -2.508 1.00 0.00 N ATOM 1157 CA MET A 71 -2.681 0.135 -2.295 1.00 0.00 C ATOM 1158 C MET A 71 -3.879 -0.801 -2.191 1.00 0.00 C ATOM 1159 O MET A 71 -4.136 -1.603 -3.093 1.00 0.00 O ATOM 1160 CB MET A 71 -2.878 1.164 -3.419 1.00 0.00 C ATOM 1161 CG MET A 71 -2.946 0.561 -4.814 1.00 0.00 C ATOM 1162 SD MET A 71 -3.038 1.804 -6.119 1.00 0.00 S ATOM 1163 CE MET A 71 -4.540 2.671 -5.675 1.00 0.00 C ATOM 0 H MET A 71 -1.607 -1.510 -3.012 1.00 0.00 H new ATOM 0 HA MET A 71 -2.590 0.684 -1.358 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.797 1.719 -3.231 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.059 1.882 -3.386 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.068 -0.063 -4.977 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.817 -0.091 -4.879 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.096 2.922 -6.578 1.00 0.00 H new ATOM 0 HE2 MET A 71 -5.153 2.034 -5.037 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.287 3.586 -5.139 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.583 -0.727 -1.071 1.00 0.00 N ATOM 1174 CA GLU A 72 -5.764 -1.545 -0.864 1.00 0.00 C ATOM 1175 C GLU A 72 -6.959 -0.888 -1.530 1.00 0.00 C ATOM 1176 O GLU A 72 -7.245 0.290 -1.297 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.027 -1.756 0.627 1.00 0.00 C ATOM 1178 CG GLU A 72 -4.878 -2.436 1.353 1.00 0.00 C ATOM 1179 CD GLU A 72 -5.234 -2.807 2.776 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -5.153 -1.932 3.664 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -5.611 -3.971 3.012 1.00 0.00 O ATOM 0 H GLU A 72 -4.355 -0.108 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.598 -2.524 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.221 -0.791 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.929 -2.356 0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.588 -3.334 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.012 -1.773 1.359 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.641 -1.647 -2.368 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.715 -1.121 -3.194 1.00 0.00 C ATOM 1190 C ILE A 73 -9.899 -2.082 -3.226 1.00 0.00 C ATOM 1191 O ILE A 73 -9.868 -3.143 -2.607 1.00 0.00 O ATOM 1192 CB ILE A 73 -8.216 -0.882 -4.641 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.485 -2.128 -5.159 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -7.315 0.341 -4.709 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.808 -1.945 -6.500 1.00 0.00 C ATOM 0 H ILE A 73 -7.467 -2.644 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.036 -0.175 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 73 -9.080 -0.695 -5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.736 -2.426 -4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.199 -2.948 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.978 0.488 -5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.869 1.220 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.451 0.193 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.317 -2.874 -6.789 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.553 -1.679 -7.250 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.066 -1.150 -6.428 1.00 0.00 H new ATOM 1207 N SER A 74 -10.952 -1.686 -3.915 1.00 0.00 N ATOM 1208 CA SER A 74 -12.064 -2.579 -4.206 1.00 0.00 C ATOM 1209 C SER A 74 -12.627 -2.219 -5.568 1.00 0.00 C ATOM 1210 O SER A 74 -12.392 -1.119 -6.058 1.00 0.00 O ATOM 1211 CB SER A 74 -13.149 -2.474 -3.133 1.00 0.00 C ATOM 1212 OG SER A 74 -14.132 -3.483 -3.295 1.00 0.00 O ATOM 0 H SER A 74 -11.064 -0.743 -4.288 1.00 0.00 H new ATOM 0 HA SER A 74 -11.709 -3.610 -4.210 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.696 -2.559 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.620 -1.492 -3.184 1.00 0.00 H new ATOM 0 HG SER A 74 -14.812 -3.393 -2.595 1.00 0.00 H new ATOM 1218 N LEU A 75 -13.359 -3.125 -6.190 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.849 -2.869 -7.532 1.00 0.00 C ATOM 1220 C LEU A 75 -15.048 -1.931 -7.501 1.00 0.00 C ATOM 1221 O LEU A 75 -16.044 -2.201 -6.832 1.00 0.00 O ATOM 1222 CB LEU A 75 -14.236 -4.159 -8.248 1.00 0.00 C ATOM 1223 CG LEU A 75 -14.451 -3.972 -9.742 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -13.120 -3.955 -10.473 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -15.381 -5.028 -10.316 1.00 0.00 C ATOM 0 H LEU A 75 -13.624 -4.028 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.034 -2.399 -8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.455 -4.903 -8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.149 -4.555 -7.803 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.936 -3.007 -9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.293 -3.820 -11.541 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.509 -3.134 -10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.601 -4.899 -10.306 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.508 -4.858 -11.385 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.953 -6.017 -10.154 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -16.350 -4.967 -9.821 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.944 -0.827 -8.225 1.00 0.00 N ATOM 1238 CA ALA A 76 -16.038 0.132 -8.321 1.00 0.00 C ATOM 1239 C ALA A 76 -16.231 0.566 -9.766 1.00 0.00 C ATOM 1240 O ALA A 76 -16.940 1.529 -10.053 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.762 1.339 -7.437 1.00 0.00 C ATOM 0 H ALA A 76 -14.112 -0.571 -8.756 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.954 -0.347 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.587 2.046 -7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.663 1.016 -6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.838 1.821 -7.757 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.596 -0.163 -10.671 1.00 0.00 N ATOM 1248 CA TRP A 77 -15.626 0.163 -12.084 1.00 0.00 C ATOM 1249 C TRP A 77 -15.254 -1.055 -12.885 1.00 0.00 C ATOM 1250 O TRP A 77 -14.438 -1.873 -12.467 1.00 0.00 O ATOM 1251 CB TRP A 77 -14.628 1.265 -12.376 1.00 0.00 C ATOM 1252 CG TRP A 77 -15.019 2.280 -13.402 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.833 3.359 -13.211 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -14.561 2.353 -14.754 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -15.910 4.100 -14.362 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -15.144 3.498 -15.328 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -13.722 1.558 -15.540 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -14.905 3.871 -16.646 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -13.489 1.930 -16.849 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -14.079 3.077 -17.390 1.00 0.00 C ATOM 0 H TRP A 77 -15.048 -0.993 -10.446 1.00 0.00 H new ATOM 0 HA TRP A 77 -16.629 0.495 -12.353 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -14.419 1.789 -11.443 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -13.695 0.801 -12.697 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -16.342 3.595 -12.288 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -16.448 4.958 -14.481 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -13.265 0.669 -15.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -15.357 4.757 -17.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -12.840 1.325 -17.465 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -13.877 3.341 -18.418 1.00 0.00 H new ATOM 1271 N ALA A 78 -15.840 -1.135 -14.034 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.641 -2.260 -14.937 1.00 0.00 C ATOM 1273 C ALA A 78 -16.082 -1.900 -16.347 1.00 0.00 C ATOM 1274 O ALA A 78 -17.256 -1.624 -16.584 1.00 0.00 O ATOM 1275 CB ALA A 78 -16.397 -3.489 -14.441 1.00 0.00 C ATOM 0 H ALA A 78 -16.479 -0.424 -14.391 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.577 -2.495 -14.958 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.235 -4.318 -15.130 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.035 -3.764 -13.450 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -17.462 -3.264 -14.388 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.138 -1.872 -17.275 1.00 0.00 N ATOM 1282 CA ARG A 79 -15.462 -1.626 -18.669 1.00 0.00 C ATOM 1283 C ARG A 79 -14.716 -2.567 -19.605 1.00 0.00 C ATOM 1284 O ARG A 79 -13.641 -2.237 -20.110 1.00 0.00 O ATOM 1285 CB ARG A 79 -15.182 -0.173 -19.054 1.00 0.00 C ATOM 1286 CG ARG A 79 -16.441 0.604 -19.402 1.00 0.00 C ATOM 1287 CD ARG A 79 -17.191 -0.050 -20.553 1.00 0.00 C ATOM 1288 NE ARG A 79 -18.490 0.575 -20.788 1.00 0.00 N ATOM 1289 CZ ARG A 79 -19.550 -0.070 -21.272 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -19.454 -1.348 -21.640 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -20.704 0.573 -21.400 1.00 0.00 N ATOM 0 H ARG A 79 -14.146 -2.016 -17.088 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.529 -1.820 -18.780 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.672 0.324 -18.229 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.503 -0.153 -19.906 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -17.090 0.661 -18.528 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.178 1.627 -19.671 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.589 0.013 -21.460 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.332 -1.109 -20.338 1.00 0.00 H new ATOM 0 HE ARG A 79 -18.592 1.566 -20.568 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.564 -1.839 -21.552 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.270 -1.835 -22.010 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.774 1.554 -21.129 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.521 0.086 -21.770 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.289 -3.754 -19.788 1.00 0.00 N ATOM 1306 CA ASP A 80 -14.877 -4.701 -20.834 1.00 0.00 C ATOM 1307 C ASP A 80 -13.373 -4.967 -20.862 1.00 0.00 C ATOM 1308 O ASP A 80 -12.781 -5.153 -21.930 1.00 0.00 O ATOM 1309 CB ASP A 80 -15.349 -4.188 -22.196 1.00 0.00 C ATOM 1310 CG ASP A 80 -16.856 -4.257 -22.340 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -17.556 -3.357 -21.820 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -17.353 -5.223 -22.959 1.00 0.00 O ATOM 0 H ASP A 80 -16.059 -4.093 -19.212 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.347 -5.657 -20.600 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.019 -3.158 -22.329 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.882 -4.776 -22.986 1.00 0.00 H new ATOM 1317 N GLY A 81 -12.760 -5.026 -19.693 1.00 0.00 N ATOM 1318 CA GLY A 81 -11.336 -5.276 -19.619 1.00 0.00 C ATOM 1319 C GLY A 81 -10.633 -4.231 -18.792 1.00 0.00 C ATOM 1320 O GLY A 81 -9.729 -4.541 -18.017 1.00 0.00 O ATOM 0 H GLY A 81 -13.222 -4.905 -18.792 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.161 -6.261 -19.187 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.915 -5.289 -20.624 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.066 -2.987 -18.944 1.00 0.00 N ATOM 1325 CA LEU A 82 -10.536 -1.902 -18.134 1.00 0.00 C ATOM 1326 C LEU A 82 -11.222 -1.908 -16.778 1.00 0.00 C ATOM 1327 O LEU A 82 -12.423 -1.676 -16.674 1.00 0.00 O ATOM 1328 CB LEU A 82 -10.749 -0.551 -18.829 1.00 0.00 C ATOM 1329 CG LEU A 82 -9.925 -0.330 -20.097 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -10.341 0.958 -20.788 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -8.439 -0.294 -19.767 1.00 0.00 C ATOM 0 H LEU A 82 -11.779 -2.706 -19.617 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.464 -2.048 -18.002 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.805 -0.453 -19.081 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.515 0.244 -18.121 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.112 -1.163 -20.775 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -9.743 1.097 -21.688 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.396 0.902 -21.058 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.183 1.800 -20.114 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.867 -0.136 -20.681 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.241 0.520 -19.070 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.144 -1.240 -19.314 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.463 -2.206 -15.741 1.00 0.00 N ATOM 1344 CA LEU A 83 -11.023 -2.296 -14.404 1.00 0.00 C ATOM 1345 C LEU A 83 -10.644 -1.094 -13.569 1.00 0.00 C ATOM 1346 O LEU A 83 -9.467 -0.746 -13.467 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.559 -3.569 -13.704 1.00 0.00 C ATOM 1348 CG LEU A 83 -11.042 -4.873 -14.332 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -10.514 -6.048 -13.536 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -12.562 -4.912 -14.395 1.00 0.00 C ATOM 0 H LEU A 83 -9.461 -2.389 -15.797 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.108 -2.322 -14.509 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.469 -3.576 -13.685 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.896 -3.537 -12.668 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.662 -4.933 -15.352 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.861 -6.978 -13.987 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.424 -6.028 -13.537 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.877 -5.985 -12.510 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.883 -5.851 -14.846 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.970 -4.835 -13.387 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.923 -4.078 -14.997 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.646 -0.470 -12.977 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.412 0.669 -12.125 1.00 0.00 C ATOM 1364 C GLY A 84 -11.675 0.331 -10.677 1.00 0.00 C ATOM 1365 O GLY A 84 -12.697 -0.273 -10.341 1.00 0.00 O ATOM 0 H GLY A 84 -12.626 -0.736 -13.074 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.382 1.008 -12.241 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.055 1.494 -12.431 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.756 0.702 -9.818 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.864 0.377 -8.415 1.00 0.00 C ATOM 1371 C PHE A 85 -10.987 1.634 -7.574 1.00 0.00 C ATOM 1372 O PHE A 85 -10.331 2.637 -7.843 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.653 -0.432 -7.962 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.498 -1.739 -8.683 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -10.075 -2.893 -8.180 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -8.776 -1.815 -9.862 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -9.934 -4.097 -8.841 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -8.631 -3.015 -10.526 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.212 -4.159 -10.015 1.00 0.00 C ATOM 0 H PHE A 85 -9.921 1.232 -10.067 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.765 -0.221 -8.278 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.753 0.164 -8.111 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.735 -0.625 -6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.641 -2.851 -7.261 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -8.321 -0.923 -10.267 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.389 -4.990 -8.439 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.064 -3.060 -11.444 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.101 -5.100 -10.533 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.844 1.562 -6.573 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.992 2.613 -5.585 1.00 0.00 C ATOM 1391 C GLU A 86 -10.982 2.375 -4.470 1.00 0.00 C ATOM 1392 O GLU A 86 -10.850 1.249 -3.979 1.00 0.00 O ATOM 1393 CB GLU A 86 -13.417 2.595 -5.034 1.00 0.00 C ATOM 1394 CG GLU A 86 -13.696 3.627 -3.958 1.00 0.00 C ATOM 1395 CD GLU A 86 -15.099 3.497 -3.400 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -15.302 2.677 -2.478 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -16.008 4.189 -3.900 1.00 0.00 O ATOM 0 H GLU A 86 -12.462 0.765 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.809 3.589 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.112 2.753 -5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.623 1.604 -4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.972 3.514 -3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.561 4.627 -4.370 1.00 0.00 H new ATOM 1404 N CYS A 87 -10.260 3.412 -4.094 1.00 0.00 N ATOM 1405 CA CYS A 87 -9.198 3.274 -3.112 1.00 0.00 C ATOM 1406 C CYS A 87 -9.759 3.138 -1.700 1.00 0.00 C ATOM 1407 O CYS A 87 -10.714 3.819 -1.329 1.00 0.00 O ATOM 1408 CB CYS A 87 -8.247 4.471 -3.197 1.00 0.00 C ATOM 1409 SG CYS A 87 -9.031 6.064 -2.852 1.00 0.00 S ATOM 0 H CYS A 87 -10.387 4.359 -4.452 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.645 2.362 -3.337 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.428 4.321 -2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.808 4.503 -4.194 1.00 0.00 H new ATOM 0 HG CYS A 87 -8.204 7.026 -3.137 1.00 0.00 H new ATOM 1415 N GLN A 88 -9.173 2.233 -0.933 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.522 2.066 0.469 1.00 0.00 C ATOM 1417 C GLN A 88 -8.390 2.560 1.353 1.00 0.00 C ATOM 1418 O GLN A 88 -8.531 3.552 2.069 1.00 0.00 O ATOM 1419 CB GLN A 88 -9.819 0.599 0.783 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.198 0.154 0.345 1.00 0.00 C ATOM 1421 CD GLN A 88 -11.460 -1.308 0.636 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -12.360 -1.902 -0.125 1.00 0.00 O flip ATOM 1423 NE2 GLN A 88 -10.880 -1.889 1.554 1.00 0.00 N flip ATOM 0 H GLN A 88 -8.446 1.597 -1.262 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.418 2.654 0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.072 -0.027 0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.718 0.438 1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.949 0.761 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.311 0.333 -0.724 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.191 -1.391 2.118 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.089 -2.868 1.751 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.256 1.879 1.272 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.108 2.206 2.102 1.00 0.00 C ATOM 1434 C HIS A 89 -4.846 2.334 1.263 1.00 0.00 C ATOM 1435 O HIS A 89 -4.296 1.337 0.794 1.00 0.00 O ATOM 1436 CB HIS A 89 -5.904 1.136 3.185 1.00 0.00 C ATOM 1437 CG HIS A 89 -4.716 1.376 4.075 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -4.798 2.041 5.279 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -3.410 1.041 3.923 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -3.595 2.110 5.826 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -2.739 1.510 5.021 1.00 0.00 N ATOM 0 H HIS A 89 -7.107 1.094 0.638 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.306 3.165 2.580 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -6.801 1.084 3.802 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -5.792 0.165 2.703 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -2.979 0.504 3.091 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -3.355 2.577 6.770 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -1.738 1.411 5.189 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.406 3.557 1.058 1.00 0.00 N ATOM 1451 CA ILE A 90 -3.109 3.802 0.453 1.00 0.00 C ATOM 1452 C ILE A 90 -2.186 4.397 1.504 1.00 0.00 C ATOM 1453 O ILE A 90 -2.418 5.508 1.981 1.00 0.00 O ATOM 1454 CB ILE A 90 -3.191 4.758 -0.755 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -4.316 4.332 -1.704 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -1.855 4.777 -1.493 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -4.526 5.287 -2.864 1.00 0.00 C ATOM 0 H ILE A 90 -4.926 4.400 1.301 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.726 2.850 0.086 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.411 5.762 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.093 3.340 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.245 4.250 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.920 5.454 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.071 5.118 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.619 3.773 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.337 4.922 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.781 6.275 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.611 5.351 -3.453 1.00 0.00 H new ATOM 1469 N ASP A 91 -1.170 3.638 1.888 1.00 0.00 N ATOM 1470 CA ASP A 91 -0.235 4.074 2.915 1.00 0.00 C ATOM 1471 C ASP A 91 0.457 5.360 2.491 1.00 0.00 C ATOM 1472 O ASP A 91 0.807 5.529 1.325 1.00 0.00 O ATOM 1473 CB ASP A 91 0.814 2.990 3.186 1.00 0.00 C ATOM 1474 CG ASP A 91 0.197 1.652 3.542 1.00 0.00 C ATOM 1475 OD1 ASP A 91 0.026 1.363 4.747 1.00 0.00 O ATOM 1476 OD2 ASP A 91 -0.123 0.881 2.619 1.00 0.00 O ATOM 0 H ASP A 91 -0.972 2.715 1.503 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.798 4.257 3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.444 2.872 2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.463 3.314 4.000 1.00 0.00 H new ATOM 1481 N LEU A 92 0.662 6.264 3.439 1.00 0.00 N ATOM 1482 CA LEU A 92 1.328 7.528 3.153 1.00 0.00 C ATOM 1483 C LEU A 92 2.735 7.264 2.627 1.00 0.00 C ATOM 1484 O LEU A 92 3.292 8.053 1.860 1.00 0.00 O ATOM 1485 CB LEU A 92 1.384 8.398 4.410 1.00 0.00 C ATOM 1486 CG LEU A 92 1.887 9.828 4.197 1.00 0.00 C ATOM 1487 CD1 LEU A 92 0.977 10.584 3.237 1.00 0.00 C ATOM 1488 CD2 LEU A 92 1.980 10.557 5.529 1.00 0.00 C ATOM 0 H LEU A 92 0.377 6.146 4.411 1.00 0.00 H new ATOM 0 HA LEU A 92 0.760 8.062 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.385 8.443 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.028 7.909 5.141 1.00 0.00 H new ATOM 0 HG LEU A 92 2.882 9.781 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.354 11.598 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.957 10.072 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.032 10.624 3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.339 11.573 5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.995 10.591 5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.673 10.030 6.185 1.00 0.00 H new ATOM 1500 N ASP A 93 3.290 6.128 3.034 1.00 0.00 N ATOM 1501 CA ASP A 93 4.603 5.705 2.575 1.00 0.00 C ATOM 1502 C ASP A 93 4.566 5.399 1.081 1.00 0.00 C ATOM 1503 O ASP A 93 5.399 5.889 0.316 1.00 0.00 O ATOM 1504 CB ASP A 93 5.060 4.473 3.355 1.00 0.00 C ATOM 1505 CG ASP A 93 6.469 4.048 2.996 1.00 0.00 C ATOM 1506 OD1 ASP A 93 6.630 3.061 2.252 1.00 0.00 O ATOM 1507 OD2 ASP A 93 7.424 4.707 3.453 1.00 0.00 O ATOM 0 H ASP A 93 2.845 5.481 3.685 1.00 0.00 H new ATOM 0 HA ASP A 93 5.313 6.514 2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.009 4.684 4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.374 3.648 3.160 1.00 0.00 H new ATOM 1512 N SER A 94 3.577 4.615 0.658 1.00 0.00 N ATOM 1513 CA SER A 94 3.441 4.259 -0.745 1.00 0.00 C ATOM 1514 C SER A 94 3.007 5.471 -1.565 1.00 0.00 C ATOM 1515 O SER A 94 3.410 5.621 -2.721 1.00 0.00 O ATOM 1516 CB SER A 94 2.470 3.084 -0.919 1.00 0.00 C ATOM 1517 OG SER A 94 1.291 3.264 -0.159 1.00 0.00 O ATOM 0 H SER A 94 2.862 4.217 1.267 1.00 0.00 H new ATOM 0 HA SER A 94 4.414 3.937 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.211 2.978 -1.973 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.960 2.159 -0.617 1.00 0.00 H new ATOM 0 HG SER A 94 1.246 4.189 0.160 1.00 0.00 H new ATOM 1523 N ILE A 95 2.207 6.345 -0.953 1.00 0.00 N ATOM 1524 CA ILE A 95 1.848 7.617 -1.572 1.00 0.00 C ATOM 1525 C ILE A 95 3.106 8.422 -1.874 1.00 0.00 C ATOM 1526 O ILE A 95 3.289 8.908 -2.990 1.00 0.00 O ATOM 1527 CB ILE A 95 0.912 8.462 -0.672 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.424 7.747 -0.466 1.00 0.00 C ATOM 1529 CG2 ILE A 95 0.686 9.843 -1.279 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -1.364 8.469 0.478 1.00 0.00 C ATOM 0 H ILE A 95 1.797 6.194 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 95 1.314 7.386 -2.494 1.00 0.00 H new ATOM 0 HB ILE A 95 1.392 8.586 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.915 7.628 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.234 6.746 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.026 10.421 -0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.641 10.358 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.229 9.738 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.290 7.902 0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.894 8.565 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.585 9.461 0.083 1.00 0.00 H new ATOM 1542 N SER A 96 3.976 8.540 -0.874 1.00 0.00 N ATOM 1543 CA SER A 96 5.230 9.264 -1.029 1.00 0.00 C ATOM 1544 C SER A 96 6.056 8.685 -2.178 1.00 0.00 C ATOM 1545 O SER A 96 6.554 9.425 -3.028 1.00 0.00 O ATOM 1546 CB SER A 96 6.032 9.216 0.277 1.00 0.00 C ATOM 1547 OG SER A 96 7.234 9.962 0.171 1.00 0.00 O ATOM 0 H SER A 96 3.833 8.141 0.054 1.00 0.00 H new ATOM 0 HA SER A 96 4.999 10.303 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.427 9.611 1.093 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.265 8.181 0.526 1.00 0.00 H new ATOM 0 HG SER A 96 7.724 9.915 1.018 1.00 0.00 H new ATOM 1553 N HIS A 97 6.171 7.356 -2.217 1.00 0.00 N ATOM 1554 CA HIS A 97 6.968 6.692 -3.247 1.00 0.00 C ATOM 1555 C HIS A 97 6.401 6.962 -4.638 1.00 0.00 C ATOM 1556 O HIS A 97 7.138 7.315 -5.555 1.00 0.00 O ATOM 1557 CB HIS A 97 7.032 5.177 -3.016 1.00 0.00 C ATOM 1558 CG HIS A 97 7.640 4.764 -1.709 1.00 0.00 C ATOM 1559 ND1 HIS A 97 8.771 5.344 -1.175 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.257 3.815 -0.823 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.052 4.767 -0.018 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.146 3.837 0.220 1.00 0.00 N ATOM 0 H HIS A 97 5.726 6.724 -1.552 1.00 0.00 H new ATOM 0 HA HIS A 97 7.976 7.103 -3.182 1.00 0.00 H new ATOM 0 HB2 HIS A 97 6.022 4.772 -3.074 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.604 4.724 -3.826 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.405 3.159 -0.920 1.00 0.00 H new ATOM 0 HE1 HIS A 97 9.884 5.015 0.624 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.113 3.235 1.043 1.00 0.00 H new ATOM 1571 N LEU A 98 5.089 6.808 -4.783 1.00 0.00 N ATOM 1572 CA LEU A 98 4.439 6.947 -6.082 1.00 0.00 C ATOM 1573 C LEU A 98 4.432 8.400 -6.545 1.00 0.00 C ATOM 1574 O LEU A 98 4.734 8.691 -7.702 1.00 0.00 O ATOM 1575 CB LEU A 98 3.004 6.410 -6.027 1.00 0.00 C ATOM 1576 CG LEU A 98 2.247 6.425 -7.359 1.00 0.00 C ATOM 1577 CD1 LEU A 98 2.951 5.561 -8.393 1.00 0.00 C ATOM 1578 CD2 LEU A 98 0.815 5.956 -7.159 1.00 0.00 C ATOM 0 H LEU A 98 4.454 6.587 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 98 5.011 6.361 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.031 5.386 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.441 6.998 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 98 2.230 7.450 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.394 5.588 -9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.959 5.941 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.005 4.534 -8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.290 5.972 -8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.817 4.940 -6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.310 6.619 -6.456 1.00 0.00 H new ATOM 1590 N ARG A 99 4.101 9.312 -5.638 1.00 0.00 N ATOM 1591 CA ARG A 99 4.001 10.724 -5.985 1.00 0.00 C ATOM 1592 C ARG A 99 5.363 11.274 -6.388 1.00 0.00 C ATOM 1593 O ARG A 99 5.478 12.002 -7.374 1.00 0.00 O ATOM 1594 CB ARG A 99 3.453 11.545 -4.818 1.00 0.00 C ATOM 1595 CG ARG A 99 2.958 12.922 -5.233 1.00 0.00 C ATOM 1596 CD ARG A 99 3.072 13.924 -4.097 1.00 0.00 C ATOM 1597 NE ARG A 99 4.469 14.209 -3.768 1.00 0.00 N ATOM 1598 CZ ARG A 99 5.185 15.171 -4.353 1.00 0.00 C ATOM 1599 NH1 ARG A 99 4.629 15.948 -5.276 1.00 0.00 N ATOM 1600 NH2 ARG A 99 6.454 15.359 -4.012 1.00 0.00 N ATOM 0 H ARG A 99 3.898 9.100 -4.661 1.00 0.00 H new ATOM 0 HA ARG A 99 3.312 10.805 -6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.635 10.998 -4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.232 11.658 -4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.535 13.274 -6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.919 12.854 -5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.567 14.849 -4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.562 13.535 -3.216 1.00 0.00 H new ATOM 0 HE ARG A 99 4.921 13.641 -3.052 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.653 15.810 -5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.178 16.683 -5.722 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.884 14.767 -3.301 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.999 16.095 -4.461 1.00 0.00 H new ATOM 1614 N ARG A 100 6.397 10.913 -5.632 1.00 0.00 N ATOM 1615 CA ARG A 100 7.741 11.415 -5.897 1.00 0.00 C ATOM 1616 C ARG A 100 8.296 10.807 -7.183 1.00 0.00 C ATOM 1617 O ARG A 100 9.137 11.409 -7.847 1.00 0.00 O ATOM 1618 CB ARG A 100 8.677 11.133 -4.718 1.00 0.00 C ATOM 1619 CG ARG A 100 9.996 11.886 -4.799 1.00 0.00 C ATOM 1620 CD ARG A 100 10.843 11.673 -3.555 1.00 0.00 C ATOM 1621 NE ARG A 100 12.043 12.513 -3.564 1.00 0.00 N ATOM 1622 CZ ARG A 100 13.128 12.279 -2.824 1.00 0.00 C ATOM 1623 NH1 ARG A 100 13.164 11.252 -1.983 1.00 0.00 N ATOM 1624 NH2 ARG A 100 14.178 13.083 -2.910 1.00 0.00 N ATOM 0 H ARG A 100 6.330 10.279 -4.836 1.00 0.00 H new ATOM 0 HA ARG A 100 7.679 12.496 -6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 100 8.171 11.400 -3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.880 10.063 -4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 100 10.550 11.555 -5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 100 9.800 12.950 -4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 100 10.249 11.896 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.134 10.625 -3.488 1.00 0.00 H new ATOM 0 HE ARG A 100 12.049 13.329 -4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.357 10.634 -1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.998 11.082 -1.422 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.158 13.883 -3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.007 12.902 -2.343 1.00 0.00 H new ATOM 1638 N LEU A 101 7.813 9.618 -7.535 1.00 0.00 N ATOM 1639 CA LEU A 101 8.168 8.994 -8.805 1.00 0.00 C ATOM 1640 C LEU A 101 7.708 9.880 -9.957 1.00 0.00 C ATOM 1641 O LEU A 101 8.458 10.142 -10.901 1.00 0.00 O ATOM 1642 CB LEU A 101 7.520 7.610 -8.919 1.00 0.00 C ATOM 1643 CG LEU A 101 7.801 6.857 -10.223 1.00 0.00 C ATOM 1644 CD1 LEU A 101 9.285 6.544 -10.356 1.00 0.00 C ATOM 1645 CD2 LEU A 101 6.979 5.581 -10.284 1.00 0.00 C ATOM 0 H LEU A 101 7.175 9.069 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 101 9.251 8.876 -8.850 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.863 6.998 -8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.441 7.723 -8.810 1.00 0.00 H new ATOM 0 HG LEU A 101 7.512 7.496 -11.058 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.462 6.009 -11.289 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.854 7.474 -10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.603 5.925 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.189 5.057 -11.216 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.238 4.940 -9.441 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.919 5.829 -10.239 1.00 0.00 H new ATOM 1657 N VAL A 102 6.470 10.351 -9.857 1.00 0.00 N ATOM 1658 CA VAL A 102 5.901 11.256 -10.844 1.00 0.00 C ATOM 1659 C VAL A 102 6.621 12.605 -10.804 1.00 0.00 C ATOM 1660 O VAL A 102 6.861 13.223 -11.841 1.00 0.00 O ATOM 1661 CB VAL A 102 4.389 11.473 -10.600 1.00 0.00 C ATOM 1662 CG1 VAL A 102 3.784 12.371 -11.669 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.660 10.138 -10.546 1.00 0.00 C ATOM 0 H VAL A 102 5.837 10.117 -9.093 1.00 0.00 H new ATOM 0 HA VAL A 102 6.033 10.800 -11.825 1.00 0.00 H new ATOM 0 HB VAL A 102 4.271 11.971 -9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.721 12.506 -11.472 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.282 13.341 -11.654 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.916 11.911 -12.648 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.598 10.310 -10.374 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.794 9.612 -11.491 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.066 9.534 -9.734 1.00 0.00 H new ATOM 1673 N GLU A 103 6.971 13.036 -9.598 1.00 0.00 N ATOM 1674 CA GLU A 103 7.689 14.290 -9.390 1.00 0.00 C ATOM 1675 C GLU A 103 9.040 14.280 -10.106 1.00 0.00 C ATOM 1676 O GLU A 103 9.335 15.164 -10.909 1.00 0.00 O ATOM 1677 CB GLU A 103 7.890 14.522 -7.889 1.00 0.00 C ATOM 1678 CG GLU A 103 8.714 15.753 -7.556 1.00 0.00 C ATOM 1679 CD GLU A 103 8.984 15.879 -6.073 1.00 0.00 C ATOM 1680 OE1 GLU A 103 9.885 15.178 -5.564 1.00 0.00 O ATOM 1681 OE2 GLU A 103 8.293 16.672 -5.401 1.00 0.00 O ATOM 0 H GLU A 103 6.766 12.528 -8.738 1.00 0.00 H new ATOM 0 HA GLU A 103 7.095 15.102 -9.809 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.914 14.612 -7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.375 13.646 -7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.661 15.709 -8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.190 16.643 -7.905 1.00 0.00 H new ATOM 1688 N LEU A 104 9.845 13.258 -9.826 1.00 0.00 N ATOM 1689 CA LEU A 104 11.198 13.163 -10.373 1.00 0.00 C ATOM 1690 C LEU A 104 11.180 12.985 -11.888 1.00 0.00 C ATOM 1691 O LEU A 104 12.140 13.337 -12.576 1.00 0.00 O ATOM 1692 CB LEU A 104 11.959 12.007 -9.718 1.00 0.00 C ATOM 1693 CG LEU A 104 12.171 12.142 -8.208 1.00 0.00 C ATOM 1694 CD1 LEU A 104 12.908 10.929 -7.661 1.00 0.00 C ATOM 1695 CD2 LEU A 104 12.931 13.422 -7.884 1.00 0.00 C ATOM 0 H LEU A 104 9.583 12.480 -9.221 1.00 0.00 H new ATOM 0 HA LEU A 104 11.709 14.100 -10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.418 11.081 -9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.933 11.915 -10.199 1.00 0.00 H new ATOM 0 HG LEU A 104 11.193 12.195 -7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.049 11.043 -6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.324 10.030 -7.857 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.880 10.844 -8.148 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.071 13.499 -6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.903 13.402 -8.376 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.363 14.282 -8.238 1.00 0.00 H new ATOM 1707 N ASN A 105 10.088 12.445 -12.407 1.00 0.00 N ATOM 1708 CA ASN A 105 9.949 12.247 -13.845 1.00 0.00 C ATOM 1709 C ASN A 105 9.202 13.406 -14.492 1.00 0.00 C ATOM 1710 O ASN A 105 8.991 13.408 -15.707 1.00 0.00 O ATOM 1711 CB ASN A 105 9.225 10.932 -14.151 1.00 0.00 C ATOM 1712 CG ASN A 105 10.149 9.727 -14.114 1.00 0.00 C ATOM 1713 OD1 ASN A 105 10.746 9.361 -15.127 1.00 0.00 O ATOM 1714 ND2 ASN A 105 10.264 9.096 -12.958 1.00 0.00 N ATOM 0 H ASN A 105 9.286 12.136 -11.857 1.00 0.00 H new ATOM 0 HA ASN A 105 10.954 12.203 -14.264 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.421 10.789 -13.429 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.762 10.998 -15.135 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.864 8.275 -12.883 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.753 9.431 -12.141 1.00 0.00 H new ATOM 1721 N LEU A 106 8.806 14.385 -13.674 1.00 0.00 N ATOM 1722 CA LEU A 106 8.041 15.542 -14.144 1.00 0.00 C ATOM 1723 C LEU A 106 6.816 15.097 -14.941 1.00 0.00 C ATOM 1724 O LEU A 106 6.472 15.687 -15.965 1.00 0.00 O ATOM 1725 CB LEU A 106 8.923 16.473 -14.987 1.00 0.00 C ATOM 1726 CG LEU A 106 10.044 17.178 -14.223 1.00 0.00 C ATOM 1727 CD1 LEU A 106 10.844 18.067 -15.160 1.00 0.00 C ATOM 1728 CD2 LEU A 106 9.477 17.994 -13.071 1.00 0.00 C ATOM 0 H LEU A 106 9.005 14.398 -12.674 1.00 0.00 H new ATOM 0 HA LEU A 106 7.697 16.095 -13.270 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.366 15.893 -15.796 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.288 17.230 -15.448 1.00 0.00 H new ATOM 0 HG LEU A 106 10.709 16.420 -13.810 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.638 18.562 -14.602 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.282 17.460 -15.952 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.187 18.818 -15.599 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.291 18.488 -12.540 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.790 18.745 -13.461 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.944 17.335 -12.386 1.00 0.00 H new ATOM 1740 N GLY A 107 6.150 14.062 -14.443 1.00 0.00 N ATOM 1741 CA GLY A 107 5.012 13.497 -15.142 1.00 0.00 C ATOM 1742 C GLY A 107 3.725 14.242 -14.863 1.00 0.00 C ATOM 1743 O GLY A 107 2.669 13.868 -15.373 1.00 0.00 O ATOM 0 H GLY A 107 6.380 13.602 -13.562 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.208 13.508 -16.214 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.893 12.454 -14.850 1.00 0.00 H new ATOM 1747 N ASP A 108 3.831 15.305 -14.063 1.00 0.00 N ATOM 1748 CA ASP A 108 2.684 16.123 -13.662 1.00 0.00 C ATOM 1749 C ASP A 108 1.706 15.321 -12.813 1.00 0.00 C ATOM 1750 O ASP A 108 0.940 14.500 -13.322 1.00 0.00 O ATOM 1751 CB ASP A 108 1.960 16.723 -14.873 1.00 0.00 C ATOM 1752 CG ASP A 108 2.799 17.745 -15.610 1.00 0.00 C ATOM 1753 OD1 ASP A 108 3.111 18.801 -15.021 1.00 0.00 O ATOM 1754 OD2 ASP A 108 3.142 17.501 -16.786 1.00 0.00 O ATOM 0 H ASP A 108 4.718 15.624 -13.673 1.00 0.00 H new ATOM 0 HA ASP A 108 3.076 16.944 -13.062 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.685 15.922 -15.559 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.033 17.191 -14.541 1.00 0.00 H new ATOM 1759 N GLU A 109 1.715 15.586 -11.511 1.00 0.00 N ATOM 1760 CA GLU A 109 0.878 14.849 -10.568 1.00 0.00 C ATOM 1761 C GLU A 109 -0.586 15.266 -10.706 1.00 0.00 C ATOM 1762 O GLU A 109 -1.457 14.776 -9.986 1.00 0.00 O ATOM 1763 CB GLU A 109 1.382 15.059 -9.132 1.00 0.00 C ATOM 1764 CG GLU A 109 1.296 16.495 -8.646 1.00 0.00 C ATOM 1765 CD GLU A 109 2.127 16.739 -7.402 1.00 0.00 C ATOM 1766 OE1 GLU A 109 1.825 16.147 -6.345 1.00 0.00 O ATOM 1767 OE2 GLU A 109 3.086 17.533 -7.474 1.00 0.00 O ATOM 0 H GLU A 109 2.294 16.308 -11.083 1.00 0.00 H new ATOM 0 HA GLU A 109 0.944 13.786 -10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.804 14.425 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 109 2.419 14.728 -9.071 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.630 17.164 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.255 16.743 -8.438 1.00 0.00 H new ATOM 1774 N GLU A 110 -0.845 16.163 -11.653 1.00 0.00 N ATOM 1775 CA GLU A 110 -2.200 16.582 -11.986 1.00 0.00 C ATOM 1776 C GLU A 110 -3.034 15.368 -12.381 1.00 0.00 C ATOM 1777 O GLU A 110 -4.181 15.217 -11.966 1.00 0.00 O ATOM 1778 CB GLU A 110 -2.175 17.567 -13.158 1.00 0.00 C ATOM 1779 CG GLU A 110 -1.174 18.702 -13.006 1.00 0.00 C ATOM 1780 CD GLU A 110 -1.482 19.600 -11.830 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -0.614 19.747 -10.947 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -2.589 20.172 -11.791 1.00 0.00 O ATOM 0 H GLU A 110 -0.122 16.618 -12.210 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.638 17.065 -11.113 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.948 17.019 -14.072 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.171 17.992 -13.281 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.174 18.285 -12.887 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.165 19.297 -13.919 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.419 14.484 -13.160 1.00 0.00 N ATOM 1790 CA LEU A 111 -3.108 13.331 -13.723 1.00 0.00 C ATOM 1791 C LEU A 111 -3.353 12.256 -12.668 1.00 0.00 C ATOM 1792 O LEU A 111 -4.070 11.284 -12.912 1.00 0.00 O ATOM 1793 CB LEU A 111 -2.289 12.756 -14.879 1.00 0.00 C ATOM 1794 CG LEU A 111 -1.994 13.744 -16.009 1.00 0.00 C ATOM 1795 CD1 LEU A 111 -1.053 13.125 -17.024 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -3.283 14.187 -16.684 1.00 0.00 C ATOM 0 H LEU A 111 -1.434 14.547 -13.417 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.079 13.662 -14.091 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.344 12.383 -14.486 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.822 11.900 -15.293 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.511 14.621 -15.578 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.854 13.842 -17.821 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.116 12.857 -16.535 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.511 12.231 -17.447 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.052 14.889 -17.485 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.793 13.318 -17.100 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.929 14.671 -15.952 1.00 0.00 H new ATOM 1808 N LEU A 112 -2.760 12.441 -11.498 1.00 0.00 N ATOM 1809 CA LEU A 112 -2.949 11.529 -10.379 1.00 0.00 C ATOM 1810 C LEU A 112 -4.199 11.946 -9.602 1.00 0.00 C ATOM 1811 O LEU A 112 -4.706 11.213 -8.753 1.00 0.00 O ATOM 1812 CB LEU A 112 -1.689 11.556 -9.490 1.00 0.00 C ATOM 1813 CG LEU A 112 -1.568 10.450 -8.434 1.00 0.00 C ATOM 1814 CD1 LEU A 112 -0.102 10.109 -8.204 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -2.205 10.876 -7.117 1.00 0.00 C ATOM 0 H LEU A 112 -2.137 13.223 -11.298 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.094 10.508 -10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.814 11.505 -10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.653 12.519 -8.980 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.095 9.571 -8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.025 9.323 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.342 9.764 -9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.428 10.996 -7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.104 10.072 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.705 11.770 -6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.262 11.091 -7.277 1.00 0.00 H new ATOM 1827 N GLU A 113 -4.711 13.123 -9.932 1.00 0.00 N ATOM 1828 CA GLU A 113 -5.893 13.658 -9.280 1.00 0.00 C ATOM 1829 C GLU A 113 -7.104 13.545 -10.213 1.00 0.00 C ATOM 1830 O GLU A 113 -8.169 14.103 -9.946 1.00 0.00 O ATOM 1831 CB GLU A 113 -5.633 15.114 -8.869 1.00 0.00 C ATOM 1832 CG GLU A 113 -6.682 15.699 -7.938 1.00 0.00 C ATOM 1833 CD GLU A 113 -6.265 17.038 -7.366 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -6.249 17.178 -6.125 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -5.928 17.950 -8.150 1.00 0.00 O ATOM 0 H GLU A 113 -4.321 13.729 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.113 13.082 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.659 15.173 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.579 15.729 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.621 15.815 -8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.869 15.001 -7.122 1.00 0.00 H new ATOM 1842 N ARG A 114 -6.949 12.791 -11.298 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.062 12.511 -12.185 1.00 0.00 C ATOM 1844 C ARG A 114 -9.022 11.567 -11.486 1.00 0.00 C ATOM 1845 O ARG A 114 -8.603 10.553 -10.928 1.00 0.00 O ATOM 1846 CB ARG A 114 -7.587 11.870 -13.493 1.00 0.00 C ATOM 1847 CG ARG A 114 -6.730 12.769 -14.368 1.00 0.00 C ATOM 1848 CD ARG A 114 -6.296 12.049 -15.643 1.00 0.00 C ATOM 1849 NE ARG A 114 -5.378 10.936 -15.373 1.00 0.00 N ATOM 1850 CZ ARG A 114 -5.203 9.886 -16.188 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -5.940 9.754 -17.286 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -4.303 8.956 -15.890 1.00 0.00 N ATOM 0 H ARG A 114 -6.065 12.367 -11.579 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.556 13.452 -12.428 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.020 10.970 -13.255 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -8.460 11.555 -14.065 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -7.289 13.668 -14.627 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -5.850 13.090 -13.811 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.177 11.672 -16.162 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -5.813 12.761 -16.312 1.00 0.00 H new ATOM 0 HE ARG A 114 -4.838 10.963 -14.508 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -6.645 10.455 -17.514 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -5.800 8.952 -17.901 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.744 9.040 -15.041 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -4.170 8.157 -16.510 1.00 0.00 H new ATOM 1866 N GLU A 115 -10.298 11.909 -11.491 1.00 0.00 N ATOM 1867 CA GLU A 115 -11.319 11.071 -10.878 1.00 0.00 C ATOM 1868 C GLU A 115 -11.367 9.733 -11.612 1.00 0.00 C ATOM 1869 O GLU A 115 -10.865 9.637 -12.718 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.673 11.785 -10.956 1.00 0.00 C ATOM 1871 CG GLU A 115 -13.813 11.034 -10.295 1.00 0.00 C ATOM 1872 CD GLU A 115 -13.565 10.777 -8.827 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -14.216 11.431 -7.990 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -12.711 9.924 -8.509 1.00 0.00 O ATOM 0 H GLU A 115 -10.655 12.765 -11.915 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.084 10.889 -9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.581 12.766 -10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.923 11.952 -12.004 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -14.734 11.605 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.962 10.083 -10.807 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.935 8.706 -10.999 1.00 0.00 N ATOM 1882 CA LEU A 116 -12.097 7.419 -11.673 1.00 0.00 C ATOM 1883 C LEU A 116 -12.902 7.592 -12.965 1.00 0.00 C ATOM 1884 O LEU A 116 -12.559 7.030 -14.002 1.00 0.00 O ATOM 1885 CB LEU A 116 -12.761 6.404 -10.735 1.00 0.00 C ATOM 1886 CG LEU A 116 -13.140 5.059 -11.363 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -11.932 4.398 -12.011 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -13.748 4.146 -10.306 1.00 0.00 C ATOM 0 H LEU A 116 -12.290 8.734 -10.043 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.113 7.034 -11.940 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -12.087 6.216 -9.900 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.662 6.856 -10.321 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.879 5.238 -12.144 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -12.230 3.445 -12.449 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -11.537 5.048 -12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -11.163 4.227 -11.258 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -14.015 3.192 -10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.023 3.979 -9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -14.641 4.613 -9.892 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.955 8.398 -12.899 1.00 0.00 N ATOM 1901 CA ALA A 117 -14.717 8.776 -14.088 1.00 0.00 C ATOM 1902 C ALA A 117 -13.858 9.564 -15.087 1.00 0.00 C ATOM 1903 O ALA A 117 -14.164 9.605 -16.277 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.938 9.590 -13.690 1.00 0.00 C ATOM 0 H ALA A 117 -14.304 8.805 -12.031 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.039 7.859 -14.581 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.498 9.866 -14.583 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -16.573 8.996 -13.033 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.619 10.492 -13.168 1.00 0.00 H new ATOM 1910 N LEU A 118 -12.791 10.193 -14.600 1.00 0.00 N ATOM 1911 CA LEU A 118 -11.873 10.942 -15.461 1.00 0.00 C ATOM 1912 C LEU A 118 -10.678 10.080 -15.845 1.00 0.00 C ATOM 1913 O LEU A 118 -9.843 10.476 -16.664 1.00 0.00 O ATOM 1914 CB LEU A 118 -11.342 12.199 -14.761 1.00 0.00 C ATOM 1915 CG LEU A 118 -12.378 13.232 -14.322 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -11.675 14.452 -13.741 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -13.266 13.637 -15.490 1.00 0.00 C ATOM 0 H LEU A 118 -12.539 10.200 -13.612 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.437 11.231 -16.348 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.780 11.886 -13.881 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.637 12.689 -15.432 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.012 12.787 -13.555 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.418 15.186 -13.429 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.078 14.152 -12.880 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.025 14.892 -14.497 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.996 14.373 -15.154 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.653 14.069 -16.281 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.786 12.759 -15.873 1.00 0.00 H new ATOM 1929 N LEU A 119 -10.594 8.906 -15.244 1.00 0.00 N ATOM 1930 CA LEU A 119 -9.408 8.086 -15.352 1.00 0.00 C ATOM 1931 C LEU A 119 -9.512 7.160 -16.550 1.00 0.00 C ATOM 1932 O LEU A 119 -9.891 5.997 -16.429 1.00 0.00 O ATOM 1933 CB LEU A 119 -9.179 7.293 -14.056 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.720 7.221 -13.585 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.123 8.612 -13.520 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -7.622 6.570 -12.215 1.00 0.00 C ATOM 0 H LEU A 119 -11.338 8.501 -14.675 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.547 8.737 -15.502 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.778 7.741 -13.264 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.549 6.278 -14.200 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.166 6.616 -14.303 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.088 8.548 -13.185 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.157 9.069 -14.509 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.695 9.221 -12.819 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.578 6.531 -11.904 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.194 7.153 -11.493 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.024 5.558 -12.263 1.00 0.00 H new ATOM 1948 N VAL A 120 -9.225 7.711 -17.717 1.00 0.00 N ATOM 1949 CA VAL A 120 -9.130 6.919 -18.922 1.00 0.00 C ATOM 1950 C VAL A 120 -7.665 6.617 -19.152 1.00 0.00 C ATOM 1951 O VAL A 120 -6.798 7.402 -18.753 1.00 0.00 O ATOM 1952 CB VAL A 120 -9.746 7.623 -20.160 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -8.870 8.767 -20.654 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -10.004 6.621 -21.277 1.00 0.00 C ATOM 0 H VAL A 120 -9.054 8.708 -17.851 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.707 6.004 -18.790 1.00 0.00 H new ATOM 0 HB VAL A 120 -10.699 8.052 -19.851 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -9.336 9.234 -21.522 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -8.756 9.507 -19.861 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -7.890 8.380 -20.933 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -10.436 7.136 -22.135 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -9.064 6.153 -21.570 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.697 5.856 -20.927 1.00 0.00 H new ATOM 1964 N SER A 121 -7.380 5.491 -19.765 1.00 0.00 N ATOM 1965 CA SER A 121 -6.016 5.034 -19.850 1.00 0.00 C ATOM 1966 C SER A 121 -5.267 5.729 -20.976 1.00 0.00 C ATOM 1967 O SER A 121 -5.873 6.363 -21.842 1.00 0.00 O ATOM 1968 CB SER A 121 -5.971 3.520 -20.047 1.00 0.00 C ATOM 1969 OG SER A 121 -4.656 3.033 -19.848 1.00 0.00 O ATOM 0 H SER A 121 -8.068 4.882 -20.207 1.00 0.00 H new ATOM 0 HA SER A 121 -5.524 5.286 -18.910 1.00 0.00 H new ATOM 0 HB2 SER A 121 -6.654 3.036 -19.349 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.310 3.268 -21.052 1.00 0.00 H new ATOM 0 HG SER A 121 -4.646 2.060 -19.965 1.00 0.00 H new ATOM 1975 N ALA A 122 -3.942 5.606 -20.940 1.00 0.00 N ATOM 1976 CA ALA A 122 -3.085 6.040 -22.036 1.00 0.00 C ATOM 1977 C ALA A 122 -3.544 5.418 -23.354 1.00 0.00 C ATOM 1978 O ALA A 122 -3.266 5.934 -24.436 1.00 0.00 O ATOM 1979 CB ALA A 122 -1.644 5.652 -21.745 1.00 0.00 C ATOM 0 H ALA A 122 -3.435 5.204 -20.152 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.152 7.124 -22.127 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.006 5.978 -22.567 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.318 6.130 -20.821 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.573 4.570 -21.638 1.00 0.00 H new ATOM 1985 N HIS A 123 -4.241 4.295 -23.241 1.00 0.00 N ATOM 1986 CA HIS A 123 -4.850 3.642 -24.384 1.00 0.00 C ATOM 1987 C HIS A 123 -6.127 4.381 -24.771 1.00 0.00 C ATOM 1988 O HIS A 123 -7.197 4.113 -24.222 1.00 0.00 O ATOM 1989 CB HIS A 123 -5.164 2.178 -24.046 1.00 0.00 C ATOM 1990 CG HIS A 123 -5.778 1.396 -25.172 1.00 0.00 C ATOM 1991 ND1 HIS A 123 -5.081 0.467 -25.907 1.00 0.00 N ATOM 1992 CD2 HIS A 123 -7.039 1.394 -25.669 1.00 0.00 C ATOM 1993 CE1 HIS A 123 -5.881 -0.071 -26.808 1.00 0.00 C ATOM 1994 NE2 HIS A 123 -7.077 0.474 -26.685 1.00 0.00 N ATOM 0 H HIS A 123 -4.398 3.815 -22.355 1.00 0.00 H new ATOM 0 HA HIS A 123 -4.157 3.663 -25.225 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -4.243 1.684 -23.738 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -5.841 2.153 -23.192 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -7.862 2.004 -25.328 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -5.604 -0.829 -27.525 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -7.894 0.248 -27.252 1.00 0.00 H new ATOM 2003 N ASP A 124 -6.001 5.331 -25.684 1.00 0.00 N ATOM 2004 CA ASP A 124 -7.154 6.058 -26.194 1.00 0.00 C ATOM 2005 C ASP A 124 -7.147 6.049 -27.716 1.00 0.00 C ATOM 2006 O ASP A 124 -6.310 6.698 -28.346 1.00 0.00 O ATOM 2007 CB ASP A 124 -7.166 7.500 -25.679 1.00 0.00 C ATOM 2008 CG ASP A 124 -8.302 8.317 -26.268 1.00 0.00 C ATOM 2009 OD1 ASP A 124 -8.032 9.223 -27.088 1.00 0.00 O ATOM 2010 OD2 ASP A 124 -9.474 8.056 -25.921 1.00 0.00 O ATOM 0 H ASP A 124 -5.110 5.618 -26.088 1.00 0.00 H new ATOM 0 HA ASP A 124 -8.055 5.560 -25.836 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -7.252 7.494 -24.592 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -6.216 7.977 -25.921 1.00 0.00 H new ATOM 2015 N ASP A 125 -8.061 5.289 -28.300 1.00 0.00 N ATOM 2016 CA ASP A 125 -8.172 5.202 -29.751 1.00 0.00 C ATOM 2017 C ASP A 125 -9.457 5.857 -30.220 1.00 0.00 C ATOM 2018 O ASP A 125 -10.474 5.144 -30.359 1.00 0.00 O ATOM 2019 CB ASP A 125 -8.138 3.748 -30.227 1.00 0.00 C ATOM 2020 CG ASP A 125 -6.766 3.117 -30.124 1.00 0.00 C ATOM 2021 OD1 ASP A 125 -6.546 2.309 -29.195 1.00 0.00 O ATOM 2022 OD2 ASP A 125 -5.904 3.408 -30.980 1.00 0.00 O ATOM 0 H ASP A 125 -8.739 4.722 -27.791 1.00 0.00 H new ATOM 0 HA ASP A 125 -7.317 5.725 -30.179 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -8.844 3.163 -29.638 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.474 3.704 -31.263 1.00 0.00 H new TER 2027 ASP A 125