USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1036 hydrogens (44 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 74 SER OG : rot 73:sc= 0.872 USER MOD Set 1.2: A 88 GLN :FLIP amide:sc= -1.84 F(o=-13!,f=-0.96) USER MOD Set 2.1: A 71 MET CE :methyl 155:sc= -1.31 (180deg=-1.19) USER MOD Set 2.2: A 87 CYS SG : rot 180:sc= -0.197 USER MOD Set 3.1: A 37 SER OG : rot 116:sc= -0.0728 USER MOD Set 3.2: A 39 HIS :FLIP no HD1:sc= -0.406 F(o=-1.5,f=-0.48) USER MOD Set 4.1: A 12 HIS : no HE2:sc= -0.322 K(o=0.22,f=-2.3!) USER MOD Set 4.2: A 121 SER OG : rot 17:sc= 0.542 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.00448 (180deg=-0.189) USER MOD Single : A 2 SER OG : rot 140:sc= -1.4 USER MOD Single : A 4 GLN :FLIP amide:sc= -2.5! C(o=-5.7!,f=-2.5!) USER MOD Single : A 5 HIS : no HE2:sc= -9.24! C(o=-9.2!,f=-8.8!) USER MOD Single : A 20 SER OG : rot 12:sc= 0.0238 USER MOD Single : A 24 GLN :FLIP amide:sc= -5.08! C(o=-6!,f=-5.1!) USER MOD Single : A 34 HIS : no HE2:sc= -0.283 K(o=-0.28,f=-2.1) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0071 F(o=-1!,f=-0.0071) USER MOD Single : A 50 ASN :FLIP amide:sc= -4.49! C(o=-9.7!,f=-4.5!) USER MOD Single : A 54 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.055) USER MOD Single : A 62 TYR OH : rot 165:sc= -0.145 USER MOD Single : A 89 HIS : no HD1:sc= -4.91! C(o=-4.9!,f=-6!) USER MOD Single : A 94 SER OG : rot 50:sc= 0.333 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.496 X(o=-0.5,f=-0.048) USER MOD Single : A 105 ASN : amide:sc= -4.1! C(o=-4.1!,f=-6.9!) USER MOD Single : A 123 HIS : no HD1:sc= -8.08! C(o=-8.1!,f=-18!) USER MOD Single : A 501 C2E O2' : rot -20:sc= 0.258 USER MOD Single : A 501 C2E O2A : rot -21:sc= 0.294 USER MOD Single : A 502 C2E O2' : rot -14:sc= 0.154 USER MOD Single : A 502 C2E O2A : rot -14:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 108.816 15.287 16.650 1.00 0.00 N ATOM 2 CA MET A 1 107.540 15.956 16.274 1.00 0.00 C ATOM 3 C MET A 1 107.645 16.481 14.848 1.00 0.00 C ATOM 4 O MET A 1 106.691 16.398 14.076 1.00 0.00 O ATOM 5 CB MET A 1 107.272 17.116 17.236 1.00 0.00 C ATOM 6 CG MET A 1 105.920 17.769 16.904 1.00 0.00 C ATOM 7 SD MET A 1 106.170 19.517 16.495 1.00 0.00 S ATOM 8 CE MET A 1 106.140 20.152 18.189 1.00 0.00 C ATOM 0 H1 MET A 1 108.673 14.728 17.515 1.00 0.00 H new ATOM 0 H2 MET A 1 109.119 14.659 15.878 1.00 0.00 H new ATOM 0 H3 MET A 1 109.548 16.006 16.820 1.00 0.00 H new ATOM 0 HA MET A 1 106.719 15.242 16.334 1.00 0.00 H new ATOM 0 HB2 MET A 1 107.268 16.754 18.264 1.00 0.00 H new ATOM 0 HB3 MET A 1 108.071 17.854 17.161 1.00 0.00 H new ATOM 0 HG2 MET A 1 105.452 17.253 16.066 1.00 0.00 H new ATOM 0 HG3 MET A 1 105.243 17.677 17.753 1.00 0.00 H new ATOM 0 HE1 MET A 1 106.279 21.233 18.175 1.00 0.00 H new ATOM 0 HE2 MET A 1 105.181 19.915 18.649 1.00 0.00 H new ATOM 0 HE3 MET A 1 106.942 19.691 18.765 1.00 0.00 H new ATOM 18 N SER A 2 108.813 17.015 14.505 1.00 0.00 N ATOM 19 CA SER A 2 109.042 17.548 13.166 1.00 0.00 C ATOM 20 C SER A 2 107.810 18.291 12.657 1.00 0.00 C ATOM 21 O SER A 2 106.860 17.678 12.168 1.00 0.00 O ATOM 22 CB SER A 2 109.386 16.405 12.213 1.00 0.00 C ATOM 23 OG SER A 2 110.753 16.051 12.385 1.00 0.00 O ATOM 0 H SER A 2 109.613 17.090 15.133 1.00 0.00 H new ATOM 0 HA SER A 2 109.873 18.252 13.211 1.00 0.00 H new ATOM 0 HB2 SER A 2 108.747 15.545 12.412 1.00 0.00 H new ATOM 0 HB3 SER A 2 109.203 16.707 11.182 1.00 0.00 H new ATOM 0 HG SER A 2 110.846 15.076 12.346 1.00 0.00 H new ATOM 29 N ASP A 3 107.841 19.617 12.757 1.00 0.00 N ATOM 30 CA ASP A 3 106.725 20.434 12.283 1.00 0.00 C ATOM 31 C ASP A 3 107.034 20.998 10.898 1.00 0.00 C ATOM 32 O ASP A 3 106.333 21.884 10.410 1.00 0.00 O ATOM 33 CB ASP A 3 106.421 21.571 13.271 1.00 0.00 C ATOM 34 CG ASP A 3 107.555 21.711 14.282 1.00 0.00 C ATOM 35 OD1 ASP A 3 108.698 21.559 13.886 1.00 0.00 O ATOM 36 OD2 ASP A 3 107.261 21.966 15.438 1.00 0.00 O ATOM 0 H ASP A 3 108.617 20.145 13.157 1.00 0.00 H new ATOM 0 HA ASP A 3 105.841 19.800 12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 3 106.290 22.508 12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 3 105.484 21.370 13.791 1.00 0.00 H new ATOM 41 N GLN A 4 108.063 20.447 10.255 1.00 0.00 N ATOM 42 CA GLN A 4 108.423 20.875 8.903 1.00 0.00 C ATOM 43 C GLN A 4 108.197 19.735 7.915 1.00 0.00 C ATOM 44 O GLN A 4 108.630 19.805 6.765 1.00 0.00 O ATOM 45 CB GLN A 4 109.874 21.360 8.836 1.00 0.00 C ATOM 46 CG GLN A 4 110.070 22.540 9.790 1.00 0.00 C ATOM 47 CD GLN A 4 110.099 22.051 11.235 1.00 0.00 C ATOM 48 OE1 GLN A 4 110.544 20.853 11.502 1.00 0.00 O flip ATOM 49 NE2 GLN A 4 109.707 22.780 12.145 1.00 0.00 N flip ATOM 0 H GLN A 4 108.656 19.713 10.642 1.00 0.00 H new ATOM 0 HA GLN A 4 107.781 21.714 8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 4 110.551 20.548 9.103 1.00 0.00 H new ATOM 0 HB3 GLN A 4 110.121 21.659 7.817 1.00 0.00 H new ATOM 0 HG2 GLN A 4 111.001 23.057 9.555 1.00 0.00 H new ATOM 0 HG3 GLN A 4 109.263 23.261 9.659 1.00 0.00 H new ATOM 0 HE21 GLN A 4 109.360 23.716 11.935 1.00 0.00 H new ATOM 0 HE22 GLN A 4 109.729 22.449 13.109 1.00 0.00 H new ATOM 58 N HIS A 5 107.506 18.693 8.371 1.00 0.00 N ATOM 59 CA HIS A 5 107.214 17.541 7.520 1.00 0.00 C ATOM 60 C HIS A 5 108.454 16.662 7.355 1.00 0.00 C ATOM 61 O HIS A 5 108.479 15.760 6.518 1.00 0.00 O ATOM 62 CB HIS A 5 106.676 18.024 6.154 1.00 0.00 C ATOM 63 CG HIS A 5 107.663 17.767 5.038 1.00 0.00 C ATOM 64 ND1 HIS A 5 107.246 17.434 3.759 1.00 0.00 N ATOM 65 CD2 HIS A 5 109.037 17.801 4.981 1.00 0.00 C ATOM 66 CE1 HIS A 5 108.345 17.283 2.997 1.00 0.00 C ATOM 67 NE2 HIS A 5 109.462 17.495 3.693 1.00 0.00 N ATOM 0 H HIS A 5 107.139 18.622 9.320 1.00 0.00 H new ATOM 0 HA HIS A 5 106.445 16.931 7.995 1.00 0.00 H new ATOM 0 HB2 HIS A 5 105.737 17.516 5.933 1.00 0.00 H new ATOM 0 HB3 HIS A 5 106.457 19.090 6.206 1.00 0.00 H new ATOM 0 HD1 HIS A 5 106.280 17.323 3.451 1.00 0.00 H new ATOM 0 HD2 HIS A 5 109.688 18.031 5.812 1.00 0.00 H new ATOM 0 HE1 HIS A 5 108.324 17.022 1.949 1.00 0.00 H new ATOM 75 N ASP A 6 109.479 16.940 8.162 1.00 0.00 N ATOM 76 CA ASP A 6 110.731 16.180 8.117 1.00 0.00 C ATOM 77 C ASP A 6 110.490 14.739 7.677 1.00 0.00 C ATOM 78 O ASP A 6 109.427 14.171 7.928 1.00 0.00 O ATOM 79 CB ASP A 6 111.385 16.182 9.502 1.00 0.00 C ATOM 80 CG ASP A 6 111.371 17.593 10.087 1.00 0.00 C ATOM 81 OD1 ASP A 6 110.412 18.306 9.843 1.00 0.00 O ATOM 82 OD2 ASP A 6 112.320 17.937 10.772 1.00 0.00 O ATOM 0 H ASP A 6 109.467 17.687 8.856 1.00 0.00 H new ATOM 0 HA ASP A 6 111.389 16.657 7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 6 110.853 15.500 10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 6 112.411 15.820 9.429 1.00 0.00 H new ATOM 87 N GLU A 7 111.487 14.155 7.017 1.00 0.00 N ATOM 88 CA GLU A 7 111.371 12.780 6.542 1.00 0.00 C ATOM 89 C GLU A 7 111.731 11.794 7.650 1.00 0.00 C ATOM 90 O GLU A 7 112.730 11.959 8.351 1.00 0.00 O ATOM 91 CB GLU A 7 112.264 12.566 5.317 1.00 0.00 C ATOM 92 CG GLU A 7 112.533 11.070 5.110 1.00 0.00 C ATOM 93 CD GLU A 7 113.704 10.620 5.981 1.00 0.00 C ATOM 94 OE1 GLU A 7 114.815 11.043 5.710 1.00 0.00 O ATOM 95 OE2 GLU A 7 113.470 9.860 6.906 1.00 0.00 O ATOM 0 H GLU A 7 112.375 14.607 6.801 1.00 0.00 H new ATOM 0 HA GLU A 7 110.336 12.600 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 7 111.784 12.982 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 7 113.207 13.097 5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 7 111.642 10.495 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 7 112.754 10.874 4.061 1.00 0.00 H new ATOM 102 N ARG A 8 110.890 10.778 7.805 1.00 0.00 N ATOM 103 CA ARG A 8 111.081 9.759 8.832 1.00 0.00 C ATOM 104 C ARG A 8 111.106 8.352 8.223 1.00 0.00 C ATOM 105 O ARG A 8 111.408 7.378 8.913 1.00 0.00 O ATOM 106 CB ARG A 8 109.920 9.829 9.834 1.00 0.00 C ATOM 107 CG ARG A 8 110.162 10.934 10.877 1.00 0.00 C ATOM 108 CD ARG A 8 109.742 12.304 10.329 1.00 0.00 C ATOM 109 NE ARG A 8 108.423 12.236 9.697 1.00 0.00 N ATOM 110 CZ ARG A 8 107.511 13.193 9.877 1.00 0.00 C ATOM 111 NH1 ARG A 8 107.761 14.207 10.662 1.00 0.00 N ATOM 112 NH2 ARG A 8 106.361 13.116 9.266 1.00 0.00 N ATOM 0 H ARG A 8 110.062 10.637 7.227 1.00 0.00 H new ATOM 0 HA ARG A 8 112.035 9.949 9.323 1.00 0.00 H new ATOM 0 HB2 ARG A 8 108.987 10.022 9.304 1.00 0.00 H new ATOM 0 HB3 ARG A 8 109.809 8.868 10.336 1.00 0.00 H new ATOM 0 HG2 ARG A 8 109.600 10.713 11.784 1.00 0.00 H new ATOM 0 HG3 ARG A 8 111.216 10.955 11.152 1.00 0.00 H new ATOM 0 HD2 ARG A 8 109.724 13.033 11.139 1.00 0.00 H new ATOM 0 HD3 ARG A 8 110.479 12.651 9.604 1.00 0.00 H new ATOM 0 HE ARG A 8 108.196 11.437 9.105 1.00 0.00 H new ATOM 0 HH11 ARG A 8 108.659 14.271 11.142 1.00 0.00 H new ATOM 0 HH12 ARG A 8 107.059 14.935 10.794 1.00 0.00 H new ATOM 0 HH21 ARG A 8 106.161 12.326 8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 8 105.662 13.846 9.402 1.00 0.00 H new ATOM 126 N ARG A 9 110.778 8.246 6.935 1.00 0.00 N ATOM 127 CA ARG A 9 110.759 6.940 6.265 1.00 0.00 C ATOM 128 C ARG A 9 112.069 6.695 5.534 1.00 0.00 C ATOM 129 O ARG A 9 112.105 6.013 4.510 1.00 0.00 O ATOM 130 CB ARG A 9 109.593 6.858 5.272 1.00 0.00 C ATOM 131 CG ARG A 9 108.294 7.281 5.970 1.00 0.00 C ATOM 132 CD ARG A 9 107.211 7.634 4.937 1.00 0.00 C ATOM 133 NE ARG A 9 106.667 8.969 5.200 1.00 0.00 N ATOM 134 CZ ARG A 9 106.118 9.691 4.229 1.00 0.00 C ATOM 135 NH1 ARG A 9 106.083 9.229 3.010 1.00 0.00 N ATOM 136 NH2 ARG A 9 105.617 10.866 4.493 1.00 0.00 N ATOM 0 H ARG A 9 110.525 9.035 6.340 1.00 0.00 H new ATOM 0 HA ARG A 9 110.629 6.173 7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 9 109.785 7.504 4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 9 109.498 5.842 4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 9 107.941 6.474 6.612 1.00 0.00 H new ATOM 0 HG3 ARG A 9 108.484 8.140 6.613 1.00 0.00 H new ATOM 0 HD2 ARG A 9 107.633 7.598 3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 9 106.411 6.895 4.973 1.00 0.00 H new ATOM 0 HE ARG A 9 106.711 9.351 6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 9 106.477 8.312 2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 9 105.661 9.785 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 9 105.647 11.231 5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 9 105.196 11.420 3.747 1.00 0.00 H new ATOM 150 N ARG A 10 113.141 7.253 6.076 1.00 0.00 N ATOM 151 CA ARG A 10 114.469 7.094 5.484 1.00 0.00 C ATOM 152 C ARG A 10 114.500 7.639 4.055 1.00 0.00 C ATOM 153 O ARG A 10 115.239 8.579 3.758 1.00 0.00 O ATOM 154 CB ARG A 10 114.875 5.612 5.481 1.00 0.00 C ATOM 155 CG ARG A 10 114.449 4.943 6.803 1.00 0.00 C ATOM 156 CD ARG A 10 113.434 3.829 6.522 1.00 0.00 C ATOM 157 NE ARG A 10 112.855 3.352 7.772 1.00 0.00 N ATOM 158 CZ ARG A 10 113.601 2.714 8.670 1.00 0.00 C ATOM 159 NH1 ARG A 10 114.861 2.478 8.421 1.00 0.00 N ATOM 160 NH2 ARG A 10 113.076 2.324 9.796 1.00 0.00 N ATOM 0 H ARG A 10 113.122 7.820 6.924 1.00 0.00 H new ATOM 0 HA ARG A 10 115.177 7.661 6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 10 114.408 5.101 4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.953 5.523 5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 10 115.322 4.532 7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 10 114.012 5.685 7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 10 112.647 4.201 5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 10 113.921 3.005 6.000 1.00 0.00 H new ATOM 0 HE ARG A 10 111.865 3.509 7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 10 115.272 2.783 7.539 1.00 0.00 H new ATOM 0 HH12 ARG A 10 115.434 1.989 9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 10 112.092 2.508 9.990 1.00 0.00 H new ATOM 0 HH22 ARG A 10 113.649 1.835 10.484 1.00 0.00 H new ATOM 174 N PHE A 11 113.697 7.046 3.177 1.00 0.00 N ATOM 175 CA PHE A 11 113.638 7.480 1.783 1.00 0.00 C ATOM 176 C PHE A 11 112.195 7.446 1.284 1.00 0.00 C ATOM 177 O PHE A 11 111.309 6.916 1.955 1.00 0.00 O ATOM 178 CB PHE A 11 114.520 6.566 0.913 1.00 0.00 C ATOM 179 CG PHE A 11 115.631 7.374 0.277 1.00 0.00 C ATOM 180 CD1 PHE A 11 116.673 7.874 1.069 1.00 0.00 C ATOM 181 CD2 PHE A 11 115.618 7.626 -1.101 1.00 0.00 C ATOM 182 CE1 PHE A 11 117.701 8.623 0.482 1.00 0.00 C ATOM 183 CE2 PHE A 11 116.646 8.374 -1.687 1.00 0.00 C ATOM 184 CZ PHE A 11 117.687 8.873 -0.895 1.00 0.00 C ATOM 0 H PHE A 11 113.080 6.266 3.404 1.00 0.00 H new ATOM 0 HA PHE A 11 114.009 8.502 1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 11 114.943 5.767 1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 11 113.915 6.092 0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 11 116.684 7.682 2.132 1.00 0.00 H new ATOM 0 HD2 PHE A 11 114.814 7.243 -1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 11 118.505 9.008 1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 11 116.636 8.566 -2.750 1.00 0.00 H new ATOM 0 HZ PHE A 11 118.480 9.451 -1.347 1.00 0.00 H new ATOM 194 N HIS A 12 111.964 8.018 0.106 1.00 0.00 N ATOM 195 CA HIS A 12 110.621 8.049 -0.466 1.00 0.00 C ATOM 196 C HIS A 12 110.105 6.636 -0.719 1.00 0.00 C ATOM 197 O HIS A 12 110.869 5.740 -1.080 1.00 0.00 O ATOM 198 CB HIS A 12 110.633 8.833 -1.781 1.00 0.00 C ATOM 199 CG HIS A 12 110.777 10.303 -1.493 1.00 0.00 C ATOM 200 ND1 HIS A 12 109.681 11.140 -1.350 1.00 0.00 N ATOM 201 CD2 HIS A 12 111.881 11.101 -1.322 1.00 0.00 C ATOM 202 CE1 HIS A 12 110.145 12.379 -1.105 1.00 0.00 C ATOM 203 NE2 HIS A 12 111.479 12.411 -1.078 1.00 0.00 N ATOM 0 H HIS A 12 112.681 8.462 -0.467 1.00 0.00 H new ATOM 0 HA HIS A 12 109.958 8.539 0.247 1.00 0.00 H new ATOM 0 HB2 HIS A 12 111.455 8.494 -2.411 1.00 0.00 H new ATOM 0 HB3 HIS A 12 109.712 8.649 -2.334 1.00 0.00 H new ATOM 0 HD1 HIS A 12 108.701 10.866 -1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 12 112.906 10.764 -1.370 1.00 0.00 H new ATOM 0 HE1 HIS A 12 109.515 13.242 -0.949 1.00 0.00 H new ATOM 211 N ARG A 13 108.801 6.446 -0.536 1.00 0.00 N ATOM 212 CA ARG A 13 108.183 5.138 -0.751 1.00 0.00 C ATOM 213 C ARG A 13 107.637 5.042 -2.172 1.00 0.00 C ATOM 214 O ARG A 13 107.207 6.041 -2.748 1.00 0.00 O ATOM 215 CB ARG A 13 107.030 4.918 0.247 1.00 0.00 C ATOM 216 CG ARG A 13 107.019 6.041 1.288 1.00 0.00 C ATOM 217 CD ARG A 13 105.914 5.781 2.319 1.00 0.00 C ATOM 218 NE ARG A 13 105.187 7.013 2.604 1.00 0.00 N ATOM 219 CZ ARG A 13 104.465 7.619 1.665 1.00 0.00 C ATOM 220 NH1 ARG A 13 104.416 7.124 0.458 1.00 0.00 N ATOM 221 NH2 ARG A 13 103.812 8.713 1.950 1.00 0.00 N ATOM 0 H ARG A 13 108.153 7.177 -0.241 1.00 0.00 H new ATOM 0 HA ARG A 13 108.943 4.372 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 13 106.078 4.893 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 13 107.145 3.953 0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 13 107.987 6.098 1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 13 106.855 7.001 0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 13 105.226 5.024 1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 13 106.349 5.387 3.237 1.00 0.00 H new ATOM 0 HE ARG A 13 105.233 7.417 3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 13 104.931 6.273 0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 13 103.862 7.589 -0.262 1.00 0.00 H new ATOM 0 HH21 ARG A 13 103.856 9.102 2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 13 103.258 9.178 1.231 1.00 0.00 H new ATOM 235 N ILE A 14 107.636 3.834 -2.727 1.00 0.00 N ATOM 236 CA ILE A 14 107.115 3.635 -4.073 1.00 0.00 C ATOM 237 C ILE A 14 105.658 4.060 -4.108 1.00 0.00 C ATOM 238 O ILE A 14 104.759 3.260 -3.848 1.00 0.00 O ATOM 239 CB ILE A 14 107.237 2.166 -4.478 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.699 1.848 -4.809 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.363 1.885 -5.710 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.574 2.089 -3.576 1.00 0.00 C ATOM 0 H ILE A 14 107.985 2.990 -2.273 1.00 0.00 H new ATOM 0 HA ILE A 14 107.692 4.236 -4.775 1.00 0.00 H new ATOM 0 HB ILE A 14 106.902 1.540 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.791 0.812 -5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 14 109.039 2.473 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.457 0.836 -5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.322 2.106 -5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 14 106.690 2.513 -6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.612 1.861 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.493 3.132 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.241 1.445 -2.762 1.00 0.00 H new ATOM 254 N ALA A 15 105.432 5.330 -4.410 1.00 0.00 N ATOM 255 CA ALA A 15 104.074 5.855 -4.451 1.00 0.00 C ATOM 256 C ALA A 15 103.499 5.815 -5.857 1.00 0.00 C ATOM 257 O ALA A 15 104.014 6.448 -6.779 1.00 0.00 O ATOM 258 CB ALA A 15 104.053 7.296 -3.943 1.00 0.00 C ATOM 0 H ALA A 15 106.161 6.009 -4.628 1.00 0.00 H new ATOM 0 HA ALA A 15 103.460 5.223 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 15 103.033 7.679 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.417 7.325 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.694 7.913 -4.573 1.00 0.00 H new ATOM 264 N PHE A 16 102.400 5.094 -5.985 1.00 0.00 N ATOM 265 CA PHE A 16 101.690 4.982 -7.246 1.00 0.00 C ATOM 266 C PHE A 16 100.214 4.784 -6.944 1.00 0.00 C ATOM 267 O PHE A 16 99.859 4.362 -5.843 1.00 0.00 O ATOM 268 CB PHE A 16 102.250 3.828 -8.087 1.00 0.00 C ATOM 269 CG PHE A 16 101.822 2.489 -7.527 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.131 2.145 -6.205 1.00 0.00 C ATOM 271 CD2 PHE A 16 101.134 1.583 -8.343 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.747 0.896 -5.700 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.756 0.333 -7.839 1.00 0.00 C ATOM 274 CZ PHE A 16 101.061 -0.010 -6.517 1.00 0.00 C ATOM 0 H PHE A 16 101.975 4.571 -5.219 1.00 0.00 H new ATOM 0 HA PHE A 16 101.822 5.891 -7.832 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.904 3.923 -9.116 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.338 3.885 -8.110 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.665 2.842 -5.576 1.00 0.00 H new ATOM 0 HD2 PHE A 16 100.895 1.849 -9.362 1.00 0.00 H new ATOM 0 HE1 PHE A 16 101.981 0.632 -4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 16 100.229 -0.367 -8.470 1.00 0.00 H new ATOM 0 HZ PHE A 16 100.767 -0.973 -6.127 1.00 0.00 H new ATOM 284 N ASP A 17 99.347 5.096 -7.894 1.00 0.00 N ATOM 285 CA ASP A 17 97.916 4.944 -7.658 1.00 0.00 C ATOM 286 C ASP A 17 97.430 3.603 -8.187 1.00 0.00 C ATOM 287 O ASP A 17 97.927 3.103 -9.196 1.00 0.00 O ATOM 288 CB ASP A 17 97.152 6.076 -8.348 1.00 0.00 C ATOM 289 CG ASP A 17 97.385 7.389 -7.608 1.00 0.00 C ATOM 290 OD1 ASP A 17 96.936 7.499 -6.479 1.00 0.00 O ATOM 291 OD2 ASP A 17 98.009 8.267 -8.181 1.00 0.00 O ATOM 0 H ASP A 17 99.599 5.449 -8.817 1.00 0.00 H new ATOM 0 HA ASP A 17 97.734 4.986 -6.584 1.00 0.00 H new ATOM 0 HB2 ASP A 17 97.480 6.169 -9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 17 96.087 5.846 -8.371 1.00 0.00 H new ATOM 296 N ALA A 18 96.448 3.030 -7.503 1.00 0.00 N ATOM 297 CA ALA A 18 95.888 1.749 -7.909 1.00 0.00 C ATOM 298 C ALA A 18 94.770 1.349 -6.952 1.00 0.00 C ATOM 299 O ALA A 18 94.495 2.047 -5.976 1.00 0.00 O ATOM 300 CB ALA A 18 96.976 0.669 -7.933 1.00 0.00 C ATOM 0 H ALA A 18 96.024 3.431 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 18 95.480 1.847 -8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.539 -0.281 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.756 0.954 -8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.408 0.566 -6.938 1.00 0.00 H new ATOM 306 N ASP A 19 94.125 0.228 -7.243 1.00 0.00 N ATOM 307 CA ASP A 19 93.031 -0.248 -6.400 1.00 0.00 C ATOM 308 C ASP A 19 93.518 -1.288 -5.402 1.00 0.00 C ATOM 309 O ASP A 19 94.239 -2.217 -5.762 1.00 0.00 O ATOM 310 CB ASP A 19 91.931 -0.857 -7.269 1.00 0.00 C ATOM 311 CG ASP A 19 90.777 -1.328 -6.392 1.00 0.00 C ATOM 312 OD1 ASP A 19 90.366 -0.570 -5.530 1.00 0.00 O ATOM 313 OD2 ASP A 19 90.321 -2.442 -6.595 1.00 0.00 O ATOM 0 H ASP A 19 94.335 -0.365 -8.046 1.00 0.00 H new ATOM 0 HA ASP A 19 92.637 0.605 -5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.575 -0.120 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 19 92.330 -1.695 -7.841 1.00 0.00 H new ATOM 318 N SER A 20 93.097 -1.143 -4.149 1.00 0.00 N ATOM 319 CA SER A 20 93.471 -2.097 -3.114 1.00 0.00 C ATOM 320 C SER A 20 92.242 -2.489 -2.302 1.00 0.00 C ATOM 321 O SER A 20 91.281 -1.731 -2.203 1.00 0.00 O ATOM 322 CB SER A 20 94.532 -1.496 -2.195 1.00 0.00 C ATOM 323 OG SER A 20 94.110 -0.205 -1.775 1.00 0.00 O ATOM 0 H SER A 20 92.501 -0.380 -3.829 1.00 0.00 H new ATOM 0 HA SER A 20 93.885 -2.986 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.688 -2.140 -1.330 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.486 -1.428 -2.717 1.00 0.00 H new ATOM 0 HG SER A 20 93.168 -0.075 -2.013 1.00 0.00 H new ATOM 329 N GLU A 21 92.283 -3.676 -1.720 1.00 0.00 N ATOM 330 CA GLU A 21 91.172 -4.166 -0.908 1.00 0.00 C ATOM 331 C GLU A 21 91.709 -4.764 0.372 1.00 0.00 C ATOM 332 O GLU A 21 92.744 -5.432 0.368 1.00 0.00 O ATOM 333 CB GLU A 21 90.374 -5.229 -1.670 1.00 0.00 C ATOM 334 CG GLU A 21 89.729 -4.609 -2.916 1.00 0.00 C ATOM 335 CD GLU A 21 88.356 -5.226 -3.163 1.00 0.00 C ATOM 336 OE1 GLU A 21 87.453 -4.945 -2.391 1.00 0.00 O ATOM 337 OE2 GLU A 21 88.227 -5.969 -4.122 1.00 0.00 O ATOM 0 H GLU A 21 93.070 -4.320 -1.792 1.00 0.00 H new ATOM 0 HA GLU A 21 90.512 -3.329 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 21 91.030 -6.049 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.604 -5.650 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 21 89.633 -3.531 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 21 90.369 -4.770 -3.784 1.00 0.00 H new ATOM 344 N ILE A 22 91.012 -4.518 1.471 1.00 0.00 N ATOM 345 CA ILE A 22 91.451 -5.042 2.750 1.00 0.00 C ATOM 346 C ILE A 22 90.400 -5.972 3.330 1.00 0.00 C ATOM 347 O ILE A 22 89.214 -5.685 3.310 1.00 0.00 O ATOM 348 CB ILE A 22 91.722 -3.889 3.707 1.00 0.00 C ATOM 349 CG1 ILE A 22 92.869 -3.018 3.165 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.079 -4.449 5.085 1.00 0.00 C ATOM 351 CD1 ILE A 22 94.207 -3.495 3.731 1.00 0.00 C ATOM 0 H ILE A 22 90.154 -3.968 1.502 1.00 0.00 H new ATOM 0 HA ILE A 22 92.369 -5.611 2.606 1.00 0.00 H new ATOM 0 HB ILE A 22 90.830 -3.268 3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 22 92.889 -3.066 2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.703 -1.975 3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.274 -3.626 5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.249 -5.047 5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 22 92.969 -5.073 5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 22 95.011 -2.871 3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 22 94.188 -3.424 4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 22 94.377 -4.531 3.438 1.00 0.00 H new ATOM 363 N LEU A 23 90.869 -7.098 3.839 1.00 0.00 N ATOM 364 CA LEU A 23 90.002 -8.107 4.420 1.00 0.00 C ATOM 365 C LEU A 23 90.469 -8.467 5.819 1.00 0.00 C ATOM 366 O LEU A 23 91.606 -8.894 6.020 1.00 0.00 O ATOM 367 CB LEU A 23 90.023 -9.369 3.546 1.00 0.00 C ATOM 368 CG LEU A 23 90.200 -8.971 2.075 1.00 0.00 C ATOM 369 CD1 LEU A 23 91.688 -8.970 1.712 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.461 -9.968 1.175 1.00 0.00 C ATOM 0 H LEU A 23 91.860 -7.338 3.861 1.00 0.00 H new ATOM 0 HA LEU A 23 88.990 -7.706 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 23 90.836 -10.025 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.096 -9.928 3.673 1.00 0.00 H new ATOM 0 HG LEU A 23 89.789 -7.972 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 23 91.807 -8.687 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.216 -8.256 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.101 -9.967 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 23 89.590 -9.681 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 23 89.867 -10.968 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.400 -9.965 1.424 1.00 0.00 H new ATOM 382 N GLN A 24 89.571 -8.308 6.776 1.00 0.00 N ATOM 383 CA GLN A 24 89.880 -8.639 8.167 1.00 0.00 C ATOM 384 C GLN A 24 88.801 -9.556 8.722 1.00 0.00 C ATOM 385 O GLN A 24 87.702 -9.107 9.044 1.00 0.00 O ATOM 386 CB GLN A 24 89.949 -7.361 9.014 1.00 0.00 C ATOM 387 CG GLN A 24 90.353 -7.706 10.460 1.00 0.00 C ATOM 388 CD GLN A 24 89.130 -7.701 11.379 1.00 0.00 C ATOM 389 OE1 GLN A 24 89.186 -7.085 12.531 1.00 0.00 O flip ATOM 390 NE2 GLN A 24 88.095 -8.273 11.042 1.00 0.00 N flip ATOM 0 H GLN A 24 88.627 -7.955 6.623 1.00 0.00 H new ATOM 0 HA GLN A 24 90.846 -9.142 8.205 1.00 0.00 H new ATOM 0 HB2 GLN A 24 90.671 -6.668 8.582 1.00 0.00 H new ATOM 0 HB3 GLN A 24 88.982 -6.859 9.008 1.00 0.00 H new ATOM 0 HG2 GLN A 24 90.829 -8.686 10.486 1.00 0.00 H new ATOM 0 HG3 GLN A 24 91.087 -6.985 10.820 1.00 0.00 H new ATOM 0 HE21 GLN A 24 88.048 -8.755 10.144 1.00 0.00 H new ATOM 0 HE22 GLN A 24 87.284 -8.266 11.660 1.00 0.00 H new ATOM 399 N GLY A 25 89.100 -10.848 8.807 1.00 0.00 N ATOM 400 CA GLY A 25 88.123 -11.807 9.301 1.00 0.00 C ATOM 401 C GLY A 25 87.137 -12.170 8.197 1.00 0.00 C ATOM 402 O GLY A 25 87.533 -12.612 7.119 1.00 0.00 O ATOM 0 H GLY A 25 90.000 -11.250 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.630 -12.704 9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.588 -11.386 10.152 1.00 0.00 H new ATOM 406 N GLU A 26 85.853 -11.980 8.474 1.00 0.00 N ATOM 407 CA GLU A 26 84.805 -12.286 7.502 1.00 0.00 C ATOM 408 C GLU A 26 84.297 -11.003 6.850 1.00 0.00 C ATOM 409 O GLU A 26 83.257 -11.000 6.192 1.00 0.00 O ATOM 410 CB GLU A 26 83.645 -12.986 8.216 1.00 0.00 C ATOM 411 CG GLU A 26 82.867 -11.968 9.055 1.00 0.00 C ATOM 412 CD GLU A 26 81.987 -12.691 10.069 1.00 0.00 C ATOM 413 OE1 GLU A 26 81.585 -13.807 9.786 1.00 0.00 O ATOM 414 OE2 GLU A 26 81.727 -12.117 11.114 1.00 0.00 O ATOM 0 H GLU A 26 85.510 -11.616 9.363 1.00 0.00 H new ATOM 0 HA GLU A 26 85.215 -12.937 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 26 82.983 -13.452 7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.026 -13.783 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 26 83.560 -11.304 9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 26 82.252 -11.344 8.406 1.00 0.00 H new ATOM 421 N ARG A 27 85.018 -9.910 7.072 1.00 0.00 N ATOM 422 CA ARG A 27 84.616 -8.611 6.542 1.00 0.00 C ATOM 423 C ARG A 27 85.591 -8.068 5.504 1.00 0.00 C ATOM 424 O ARG A 27 86.807 -8.126 5.689 1.00 0.00 O ATOM 425 CB ARG A 27 84.539 -7.626 7.696 1.00 0.00 C ATOM 426 CG ARG A 27 83.447 -8.082 8.668 1.00 0.00 C ATOM 427 CD ARG A 27 83.772 -7.567 10.064 1.00 0.00 C ATOM 428 NE ARG A 27 82.735 -7.971 11.006 1.00 0.00 N ATOM 429 CZ ARG A 27 82.534 -7.305 12.139 1.00 0.00 C ATOM 430 NH1 ARG A 27 83.277 -6.272 12.431 1.00 0.00 N ATOM 431 NH2 ARG A 27 81.594 -7.685 12.959 1.00 0.00 N ATOM 0 H ARG A 27 85.882 -9.896 7.614 1.00 0.00 H new ATOM 0 HA ARG A 27 83.652 -8.739 6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.500 -7.570 8.208 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.318 -6.626 7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 27 82.476 -7.706 8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.381 -9.170 8.675 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.738 -7.956 10.387 1.00 0.00 H new ATOM 0 HD3 ARG A 27 83.855 -6.480 10.048 1.00 0.00 H new ATOM 0 HE ARG A 27 82.152 -8.780 10.792 1.00 0.00 H new ATOM 0 HH11 ARG A 27 84.012 -5.975 11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 27 83.122 -5.762 13.300 1.00 0.00 H new ATOM 0 HH21 ARG A 27 81.014 -8.492 12.731 1.00 0.00 H new ATOM 0 HH22 ARG A 27 81.439 -7.175 13.829 1.00 0.00 H new ATOM 445 N ARG A 28 85.050 -7.527 4.418 1.00 0.00 N ATOM 446 CA ARG A 28 85.871 -6.955 3.349 1.00 0.00 C ATOM 447 C ARG A 28 85.395 -5.554 3.013 1.00 0.00 C ATOM 448 O ARG A 28 84.216 -5.230 3.161 1.00 0.00 O ATOM 449 CB ARG A 28 85.794 -7.835 2.096 1.00 0.00 C ATOM 450 CG ARG A 28 86.716 -7.272 1.004 1.00 0.00 C ATOM 451 CD ARG A 28 86.501 -8.038 -0.306 1.00 0.00 C ATOM 452 NE ARG A 28 87.702 -7.983 -1.134 1.00 0.00 N ATOM 453 CZ ARG A 28 87.874 -8.832 -2.142 1.00 0.00 C ATOM 454 NH1 ARG A 28 86.964 -9.735 -2.393 1.00 0.00 N ATOM 455 NH2 ARG A 28 88.948 -8.762 -2.879 1.00 0.00 N ATOM 0 H ARG A 28 84.045 -7.471 4.252 1.00 0.00 H new ATOM 0 HA ARG A 28 86.904 -6.909 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.086 -8.856 2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 28 84.767 -7.876 1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 28 86.511 -6.212 0.854 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.757 -7.354 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 28 86.249 -9.076 -0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 28 85.658 -7.611 -0.849 1.00 0.00 H new ATOM 0 HE ARG A 28 88.418 -7.284 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 28 86.124 -9.787 -1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 28 87.093 -10.388 -3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 28 89.657 -8.055 -2.682 1.00 0.00 H new ATOM 0 HH22 ARG A 28 89.079 -9.414 -3.652 1.00 0.00 H new ATOM 469 N TRP A 29 86.330 -4.723 2.583 1.00 0.00 N ATOM 470 CA TRP A 29 86.037 -3.344 2.245 1.00 0.00 C ATOM 471 C TRP A 29 86.981 -2.844 1.159 1.00 0.00 C ATOM 472 O TRP A 29 88.199 -2.946 1.311 1.00 0.00 O ATOM 473 CB TRP A 29 86.270 -2.488 3.480 1.00 0.00 C ATOM 474 CG TRP A 29 85.457 -2.986 4.626 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.112 -2.935 4.709 1.00 0.00 C ATOM 476 CD2 TRP A 29 85.926 -3.598 5.854 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.721 -3.461 5.930 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.811 -3.887 6.672 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.206 -3.922 6.331 1.00 0.00 C ATOM 480 CZ2 TRP A 29 84.964 -4.474 7.929 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.366 -4.516 7.591 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.247 -4.789 8.390 1.00 0.00 C ATOM 0 H TRP A 29 87.308 -4.985 2.460 1.00 0.00 H new ATOM 0 HA TRP A 29 85.007 -3.281 1.894 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.327 -2.502 3.744 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.009 -1.452 3.265 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.449 -2.548 3.949 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.752 -3.526 6.243 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.074 -3.712 5.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.099 -4.683 8.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.355 -4.764 7.947 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.375 -5.243 9.362 1.00 0.00 H new ATOM 493 N GLU A 30 86.452 -2.321 0.056 1.00 0.00 N ATOM 494 CA GLU A 30 87.321 -1.853 -1.012 1.00 0.00 C ATOM 495 C GLU A 30 87.960 -0.527 -0.611 1.00 0.00 C ATOM 496 O GLU A 30 87.330 0.298 0.051 1.00 0.00 O ATOM 497 CB GLU A 30 86.501 -1.650 -2.290 1.00 0.00 C ATOM 498 CG GLU A 30 85.164 -0.989 -1.944 1.00 0.00 C ATOM 499 CD GLU A 30 84.534 -0.400 -3.201 1.00 0.00 C ATOM 500 OE1 GLU A 30 84.731 -0.969 -4.262 1.00 0.00 O ATOM 501 OE2 GLU A 30 83.864 0.613 -3.085 1.00 0.00 O ATOM 0 H GLU A 30 85.453 -2.213 -0.117 1.00 0.00 H new ATOM 0 HA GLU A 30 88.100 -2.595 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 30 87.054 -1.028 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 30 86.328 -2.609 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 30 84.491 -1.722 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 30 85.317 -0.205 -1.202 1.00 0.00 H new ATOM 508 N VAL A 31 89.211 -0.331 -0.995 1.00 0.00 N ATOM 509 CA VAL A 31 89.923 0.894 -0.646 1.00 0.00 C ATOM 510 C VAL A 31 90.927 1.272 -1.724 1.00 0.00 C ATOM 511 O VAL A 31 91.366 0.434 -2.509 1.00 0.00 O ATOM 512 CB VAL A 31 90.664 0.701 0.682 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.664 0.722 1.839 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.391 -0.645 0.665 1.00 0.00 C ATOM 0 H VAL A 31 89.754 -0.997 -1.545 1.00 0.00 H new ATOM 0 HA VAL A 31 89.190 1.696 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 31 91.385 1.507 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.195 0.584 2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.143 1.679 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 31 88.941 -0.083 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 31 91.919 -0.785 1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.666 -1.448 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.106 -0.662 -0.157 1.00 0.00 H new ATOM 524 N LEU A 32 91.302 2.543 -1.737 1.00 0.00 N ATOM 525 CA LEU A 32 92.277 3.037 -2.696 1.00 0.00 C ATOM 526 C LEU A 32 93.637 3.111 -2.019 1.00 0.00 C ATOM 527 O LEU A 32 93.766 3.657 -0.921 1.00 0.00 O ATOM 528 CB LEU A 32 91.870 4.420 -3.232 1.00 0.00 C ATOM 529 CG LEU A 32 91.764 5.444 -2.091 1.00 0.00 C ATOM 530 CD1 LEU A 32 91.580 6.842 -2.689 1.00 0.00 C ATOM 531 CD2 LEU A 32 90.565 5.115 -1.188 1.00 0.00 C ATOM 0 H LEU A 32 90.945 3.250 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 32 92.323 2.355 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 32 92.603 4.760 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 32 90.913 4.346 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 32 92.675 5.409 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 32 91.504 7.574 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 32 92.435 7.083 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 32 90.670 6.865 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 32 90.503 5.849 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 32 89.648 5.143 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 32 90.693 4.120 -0.762 1.00 0.00 H new ATOM 543 N LEU A 33 94.652 2.556 -2.663 1.00 0.00 N ATOM 544 CA LEU A 33 95.989 2.577 -2.092 1.00 0.00 C ATOM 545 C LEU A 33 96.753 3.770 -2.633 1.00 0.00 C ATOM 546 O LEU A 33 96.855 3.969 -3.844 1.00 0.00 O ATOM 547 CB LEU A 33 96.726 1.273 -2.417 1.00 0.00 C ATOM 548 CG LEU A 33 98.237 1.417 -2.139 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.743 0.176 -1.402 1.00 0.00 C ATOM 550 CD2 LEU A 33 98.990 1.557 -3.466 1.00 0.00 C ATOM 0 H LEU A 33 94.578 2.092 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 33 95.916 2.666 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.317 0.459 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.567 1.010 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 33 98.408 2.301 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.810 0.279 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.209 0.071 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.570 -0.708 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.057 1.659 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.816 0.672 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.633 2.440 -3.996 1.00 0.00 H new ATOM 562 N HIS A 34 97.257 4.581 -1.720 1.00 0.00 N ATOM 563 CA HIS A 34 97.979 5.782 -2.096 1.00 0.00 C ATOM 564 C HIS A 34 99.475 5.516 -2.273 1.00 0.00 C ATOM 565 O HIS A 34 100.129 6.208 -3.053 1.00 0.00 O ATOM 566 CB HIS A 34 97.727 6.859 -1.050 1.00 0.00 C ATOM 567 CG HIS A 34 96.326 7.386 -1.204 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.039 8.533 -1.927 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.119 6.929 -0.732 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.707 8.725 -1.870 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.099 7.777 -1.154 1.00 0.00 N ATOM 0 H HIS A 34 97.180 4.430 -0.714 1.00 0.00 H new ATOM 0 HA HIS A 34 97.612 6.125 -3.064 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.865 6.449 -0.049 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.447 7.669 -1.165 1.00 0.00 H new ATOM 0 HD1 HIS A 34 96.713 9.124 -2.413 1.00 0.00 H new ATOM 0 HD2 HIS A 34 94.983 6.046 -0.126 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.193 9.547 -2.346 1.00 0.00 H new ATOM 579 N ASP A 35 100.016 4.504 -1.601 1.00 0.00 N ATOM 580 CA ASP A 35 101.437 4.188 -1.781 1.00 0.00 C ATOM 581 C ASP A 35 101.820 2.912 -1.038 1.00 0.00 C ATOM 582 O ASP A 35 101.089 2.444 -0.164 1.00 0.00 O ATOM 583 CB ASP A 35 102.314 5.355 -1.319 1.00 0.00 C ATOM 584 CG ASP A 35 102.185 5.530 0.189 1.00 0.00 C ATOM 585 OD1 ASP A 35 101.243 6.179 0.611 1.00 0.00 O ATOM 586 OD2 ASP A 35 103.031 5.014 0.899 1.00 0.00 O ATOM 0 H ASP A 35 99.515 3.903 -0.946 1.00 0.00 H new ATOM 0 HA ASP A 35 101.606 4.023 -2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.354 5.168 -1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 35 102.014 6.271 -1.828 1.00 0.00 H new ATOM 591 N VAL A 36 102.969 2.346 -1.410 1.00 0.00 N ATOM 592 CA VAL A 36 103.446 1.110 -0.795 1.00 0.00 C ATOM 593 C VAL A 36 104.970 1.088 -0.720 1.00 0.00 C ATOM 594 O VAL A 36 105.649 1.898 -1.351 1.00 0.00 O ATOM 595 CB VAL A 36 102.954 -0.095 -1.612 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.794 -0.237 -2.884 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.077 -1.380 -0.786 1.00 0.00 C ATOM 0 H VAL A 36 103.583 2.723 -2.132 1.00 0.00 H new ATOM 0 HA VAL A 36 103.051 1.056 0.219 1.00 0.00 H new ATOM 0 HB VAL A 36 101.909 0.067 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.441 -1.093 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.700 0.668 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.839 -0.387 -2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.725 -2.227 -1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.120 -1.537 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.473 -1.291 0.117 1.00 0.00 H new ATOM 607 N SER A 37 105.491 0.122 0.025 1.00 0.00 N ATOM 608 CA SER A 37 106.924 -0.073 0.169 1.00 0.00 C ATOM 609 C SER A 37 107.176 -1.575 0.205 1.00 0.00 C ATOM 610 O SER A 37 106.229 -2.351 0.329 1.00 0.00 O ATOM 611 CB SER A 37 107.436 0.577 1.455 1.00 0.00 C ATOM 612 OG SER A 37 106.733 0.037 2.566 1.00 0.00 O ATOM 0 H SER A 37 104.928 -0.549 0.547 1.00 0.00 H new ATOM 0 HA SER A 37 107.452 0.391 -0.664 1.00 0.00 H new ATOM 0 HB2 SER A 37 108.506 0.399 1.565 1.00 0.00 H new ATOM 0 HB3 SER A 37 107.296 1.657 1.411 1.00 0.00 H new ATOM 0 HG SER A 37 107.358 -0.448 3.145 1.00 0.00 H new ATOM 618 N LEU A 38 108.423 -1.999 0.090 1.00 0.00 N ATOM 619 CA LEU A 38 108.694 -3.429 0.104 1.00 0.00 C ATOM 620 C LEU A 38 108.276 -4.045 1.439 1.00 0.00 C ATOM 621 O LEU A 38 108.411 -5.252 1.640 1.00 0.00 O ATOM 622 CB LEU A 38 110.176 -3.710 -0.168 1.00 0.00 C ATOM 623 CG LEU A 38 111.053 -2.808 0.721 1.00 0.00 C ATOM 624 CD1 LEU A 38 112.113 -3.652 1.431 1.00 0.00 C ATOM 625 CD2 LEU A 38 111.749 -1.752 -0.144 1.00 0.00 C ATOM 0 H LEU A 38 109.241 -1.398 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 38 108.106 -3.888 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.399 -4.758 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.402 -3.530 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 38 110.421 -2.318 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 38 112.730 -3.009 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 38 111.624 -4.403 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 38 112.741 -4.146 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 38 112.369 -1.115 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 38 112.375 -2.246 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 38 110.999 -1.143 -0.648 1.00 0.00 H new ATOM 637 N HIS A 39 107.767 -3.216 2.351 1.00 0.00 N ATOM 638 CA HIS A 39 107.340 -3.716 3.655 1.00 0.00 C ATOM 639 C HIS A 39 106.464 -2.695 4.386 1.00 0.00 C ATOM 640 O HIS A 39 106.653 -2.446 5.577 1.00 0.00 O ATOM 641 CB HIS A 39 108.566 -4.037 4.512 1.00 0.00 C ATOM 642 CG HIS A 39 109.513 -2.870 4.479 1.00 0.00 C ATOM 643 ND1 HIS A 39 109.346 -1.566 4.081 1.00 0.00 N flip ATOM 644 CD2 HIS A 39 110.833 -2.974 4.890 1.00 0.00 C flip ATOM 645 CE1 HIS A 39 110.540 -0.871 4.243 1.00 0.00 C flip ATOM 646 NE2 HIS A 39 111.403 -1.765 4.733 1.00 0.00 N flip ATOM 0 H HIS A 39 107.642 -2.213 2.214 1.00 0.00 H new ATOM 0 HA HIS A 39 106.751 -4.619 3.492 1.00 0.00 H new ATOM 0 HB2 HIS A 39 108.263 -4.245 5.538 1.00 0.00 H new ATOM 0 HB3 HIS A 39 109.061 -4.933 4.138 1.00 0.00 H new ATOM 0 HD2 HIS A 39 111.316 -3.863 5.267 1.00 0.00 H new ATOM 0 HE1 HIS A 39 110.729 0.169 4.020 1.00 0.00 H new ATOM 0 HE2 HIS A 39 112.375 -1.557 4.960 1.00 0.00 H new ATOM 654 N GLY A 40 105.504 -2.112 3.673 1.00 0.00 N ATOM 655 CA GLY A 40 104.606 -1.125 4.275 1.00 0.00 C ATOM 656 C GLY A 40 103.585 -0.625 3.253 1.00 0.00 C ATOM 657 O GLY A 40 103.858 -0.613 2.057 1.00 0.00 O ATOM 0 H GLY A 40 105.327 -2.302 2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.088 -1.569 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.186 -0.285 4.657 1.00 0.00 H new ATOM 661 N ILE A 41 102.402 -0.229 3.723 1.00 0.00 N ATOM 662 CA ILE A 41 101.353 0.249 2.820 1.00 0.00 C ATOM 663 C ILE A 41 100.503 1.347 3.463 1.00 0.00 C ATOM 664 O ILE A 41 100.275 1.357 4.672 1.00 0.00 O ATOM 665 CB ILE A 41 100.457 -0.933 2.391 1.00 0.00 C ATOM 666 CG1 ILE A 41 98.977 -0.511 2.390 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.651 -2.108 3.351 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.102 -1.654 1.867 1.00 0.00 C ATOM 0 H ILE A 41 102.147 -0.229 4.711 1.00 0.00 H new ATOM 0 HA ILE A 41 101.837 0.681 1.944 1.00 0.00 H new ATOM 0 HB ILE A 41 100.741 -1.236 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.668 -0.239 3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.844 0.373 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.016 -2.938 3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.694 -2.423 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.381 -1.801 4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.057 -1.344 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.402 -1.906 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.223 -2.528 2.508 1.00 0.00 H new ATOM 680 N LEU A 42 100.026 2.258 2.614 1.00 0.00 N ATOM 681 CA LEU A 42 99.177 3.370 3.044 1.00 0.00 C ATOM 682 C LEU A 42 97.859 3.313 2.277 1.00 0.00 C ATOM 683 O LEU A 42 97.858 3.253 1.047 1.00 0.00 O ATOM 684 CB LEU A 42 99.881 4.703 2.743 1.00 0.00 C ATOM 685 CG LEU A 42 99.664 5.701 3.888 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.549 6.941 3.674 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.194 6.124 3.926 1.00 0.00 C ATOM 0 H LEU A 42 100.216 2.246 1.612 1.00 0.00 H new ATOM 0 HA LEU A 42 98.989 3.294 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.948 4.532 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.497 5.121 1.812 1.00 0.00 H new ATOM 0 HG LEU A 42 99.932 5.227 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.391 7.646 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.597 6.641 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.288 7.416 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 42 98.040 6.833 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 42 97.926 6.594 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.567 5.247 4.086 1.00 0.00 H new ATOM 699 N VAL A 43 96.741 3.319 2.995 1.00 0.00 N ATOM 700 CA VAL A 43 95.434 3.253 2.340 1.00 0.00 C ATOM 701 C VAL A 43 94.482 4.320 2.870 1.00 0.00 C ATOM 702 O VAL A 43 94.787 5.034 3.824 1.00 0.00 O ATOM 703 CB VAL A 43 94.808 1.873 2.548 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.651 0.813 1.840 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.743 1.559 4.046 1.00 0.00 C ATOM 0 H VAL A 43 96.709 3.368 4.013 1.00 0.00 H new ATOM 0 HA VAL A 43 95.594 3.433 1.277 1.00 0.00 H new ATOM 0 HB VAL A 43 93.800 1.869 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.202 -0.169 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.692 1.034 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.661 0.817 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.297 0.575 4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.750 1.566 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 43 94.136 2.311 4.549 1.00 0.00 H new ATOM 715 N GLY A 44 93.308 4.390 2.248 1.00 0.00 N ATOM 716 CA GLY A 44 92.269 5.341 2.662 1.00 0.00 C ATOM 717 C GLY A 44 91.249 4.632 3.552 1.00 0.00 C ATOM 718 O GLY A 44 90.988 3.445 3.360 1.00 0.00 O ATOM 0 H GLY A 44 93.048 3.802 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.719 6.175 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.774 5.758 1.785 1.00 0.00 H new ATOM 722 N GLN A 45 90.691 5.333 4.545 1.00 0.00 N ATOM 723 CA GLN A 45 89.729 4.713 5.461 1.00 0.00 C ATOM 724 C GLN A 45 88.296 4.790 4.926 1.00 0.00 C ATOM 725 O GLN A 45 87.735 5.882 4.836 1.00 0.00 O ATOM 726 CB GLN A 45 89.776 5.467 6.796 1.00 0.00 C ATOM 727 CG GLN A 45 88.843 4.797 7.820 1.00 0.00 C ATOM 728 CD GLN A 45 88.275 5.844 8.773 1.00 0.00 C ATOM 729 OE1 GLN A 45 89.022 6.640 9.341 1.00 0.00 O ATOM 730 NE2 GLN A 45 86.987 5.891 8.982 1.00 0.00 N ATOM 0 H GLN A 45 90.886 6.316 4.733 1.00 0.00 H new ATOM 0 HA GLN A 45 90.000 3.663 5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 45 90.797 5.481 7.178 1.00 0.00 H new ATOM 0 HB3 GLN A 45 89.478 6.505 6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 45 88.031 4.285 7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.390 4.041 8.382 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.369 5.230 8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 45 86.598 6.588 9.617 1.00 0.00 H new ATOM 739 N PRO A 46 87.674 3.687 4.598 1.00 0.00 N ATOM 740 CA PRO A 46 86.271 3.699 4.105 1.00 0.00 C ATOM 741 C PRO A 46 85.270 3.706 5.268 1.00 0.00 C ATOM 742 O PRO A 46 85.622 3.384 6.402 1.00 0.00 O ATOM 743 CB PRO A 46 86.187 2.418 3.288 1.00 0.00 C ATOM 744 CG PRO A 46 87.104 1.470 4.000 1.00 0.00 C ATOM 745 CD PRO A 46 88.216 2.325 4.637 1.00 0.00 C ATOM 0 HA PRO A 46 86.023 4.587 3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.167 2.035 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.503 2.581 2.258 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.564 0.908 4.762 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.525 0.743 3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.429 2.008 5.658 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.149 2.249 4.078 1.00 0.00 H new ATOM 753 N GLN A 47 84.035 4.096 4.981 1.00 0.00 N ATOM 754 CA GLN A 47 82.999 4.167 6.012 1.00 0.00 C ATOM 755 C GLN A 47 82.648 2.790 6.577 1.00 0.00 C ATOM 756 O GLN A 47 82.420 2.644 7.779 1.00 0.00 O ATOM 757 CB GLN A 47 81.738 4.804 5.424 1.00 0.00 C ATOM 758 CG GLN A 47 80.834 5.290 6.559 1.00 0.00 C ATOM 759 CD GLN A 47 79.434 5.574 6.024 1.00 0.00 C ATOM 760 OE1 GLN A 47 79.239 5.629 4.735 1.00 0.00 O flip ATOM 761 NE2 GLN A 47 78.495 5.751 6.800 1.00 0.00 N flip ATOM 0 H GLN A 47 83.724 4.368 4.048 1.00 0.00 H new ATOM 0 HA GLN A 47 83.392 4.772 6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 47 82.007 5.639 4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 47 81.206 4.080 4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 47 80.786 4.537 7.345 1.00 0.00 H new ATOM 0 HG3 GLN A 47 81.251 6.192 7.007 1.00 0.00 H new ATOM 0 HE21 GLN A 47 78.651 5.707 7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 47 77.561 5.941 6.436 1.00 0.00 H new ATOM 770 N ASP A 48 82.583 1.791 5.706 1.00 0.00 N ATOM 771 CA ASP A 48 82.230 0.436 6.125 1.00 0.00 C ATOM 772 C ASP A 48 83.372 -0.232 6.893 1.00 0.00 C ATOM 773 O ASP A 48 83.317 -1.426 7.187 1.00 0.00 O ATOM 774 CB ASP A 48 81.878 -0.400 4.895 1.00 0.00 C ATOM 775 CG ASP A 48 81.368 -1.774 5.321 1.00 0.00 C ATOM 776 OD1 ASP A 48 81.163 -1.967 6.508 1.00 0.00 O ATOM 777 OD2 ASP A 48 81.188 -2.612 4.453 1.00 0.00 O ATOM 0 H ASP A 48 82.769 1.890 4.708 1.00 0.00 H new ATOM 0 HA ASP A 48 81.371 0.500 6.793 1.00 0.00 H new ATOM 0 HB2 ASP A 48 81.118 0.111 4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.756 -0.511 4.258 1.00 0.00 H new ATOM 782 N TRP A 49 84.404 0.539 7.211 1.00 0.00 N ATOM 783 CA TRP A 49 85.556 0.009 7.938 1.00 0.00 C ATOM 784 C TRP A 49 85.156 -0.528 9.306 1.00 0.00 C ATOM 785 O TRP A 49 85.547 0.024 10.332 1.00 0.00 O ATOM 786 CB TRP A 49 86.589 1.111 8.135 1.00 0.00 C ATOM 787 CG TRP A 49 87.851 0.541 8.702 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.168 0.504 10.013 1.00 0.00 C ATOM 789 CD2 TRP A 49 88.953 -0.061 7.992 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.424 -0.074 10.158 1.00 0.00 N ATOM 791 CE2 TRP A 49 89.957 -0.430 8.924 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.173 -0.308 6.630 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.148 -1.028 8.490 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.358 -0.905 6.199 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.341 -1.258 7.124 1.00 0.00 C ATOM 0 H TRP A 49 84.469 1.530 6.979 1.00 0.00 H new ATOM 0 HA TRP A 49 85.971 -0.808 7.348 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.797 1.599 7.183 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.193 1.875 8.804 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.547 0.865 10.819 1.00 0.00 H new ATOM 0 HE1 TRP A 49 89.893 -0.218 11.052 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.418 -0.034 5.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 91.909 -1.308 9.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.515 -1.094 5.147 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.259 -1.713 6.782 1.00 0.00 H new ATOM 806 N ASN A 50 84.404 -1.618 9.330 1.00 0.00 N ATOM 807 CA ASN A 50 84.007 -2.213 10.603 1.00 0.00 C ATOM 808 C ASN A 50 85.003 -3.302 10.990 1.00 0.00 C ATOM 809 O ASN A 50 84.736 -4.489 10.808 1.00 0.00 O ATOM 810 CB ASN A 50 82.592 -2.793 10.511 1.00 0.00 C ATOM 811 CG ASN A 50 82.302 -3.673 11.726 1.00 0.00 C ATOM 812 OD1 ASN A 50 83.128 -3.673 12.737 1.00 0.00 O flip ATOM 813 ND2 ASN A 50 81.295 -4.379 11.752 1.00 0.00 N flip ATOM 0 H ASN A 50 84.060 -2.103 8.501 1.00 0.00 H new ATOM 0 HA ASN A 50 84.006 -1.438 11.370 1.00 0.00 H new ATOM 0 HB2 ASN A 50 81.863 -1.985 10.456 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.490 -3.378 9.597 1.00 0.00 H new ATOM 0 HD21 ASN A 50 80.651 -4.378 10.961 1.00 0.00 H new ATOM 0 HD22 ASN A 50 81.104 -4.966 12.564 1.00 0.00 H new ATOM 820 N GLY A 51 86.156 -2.896 11.516 1.00 0.00 N ATOM 821 CA GLY A 51 87.181 -3.859 11.908 1.00 0.00 C ATOM 822 C GLY A 51 87.829 -3.484 13.235 1.00 0.00 C ATOM 823 O GLY A 51 87.748 -2.339 13.681 1.00 0.00 O ATOM 0 H GLY A 51 86.402 -1.920 11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.737 -4.851 11.988 1.00 0.00 H new ATOM 0 HA3 GLY A 51 87.945 -3.913 11.132 1.00 0.00 H new ATOM 827 N ASP A 52 88.476 -4.466 13.855 1.00 0.00 N ATOM 828 CA ASP A 52 89.150 -4.257 15.131 1.00 0.00 C ATOM 829 C ASP A 52 90.640 -3.975 14.893 1.00 0.00 C ATOM 830 O ASP A 52 91.338 -4.805 14.309 1.00 0.00 O ATOM 831 CB ASP A 52 88.990 -5.513 16.004 1.00 0.00 C ATOM 832 CG ASP A 52 88.414 -5.146 17.369 1.00 0.00 C ATOM 833 OD1 ASP A 52 88.844 -4.147 17.923 1.00 0.00 O ATOM 834 OD2 ASP A 52 87.551 -5.869 17.840 1.00 0.00 O ATOM 0 H ASP A 52 88.548 -5.417 13.493 1.00 0.00 H new ATOM 0 HA ASP A 52 88.705 -3.402 15.640 1.00 0.00 H new ATOM 0 HB2 ASP A 52 88.334 -6.228 15.506 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.956 -6.001 16.130 1.00 0.00 H new ATOM 839 N PRO A 53 91.140 -2.836 15.313 1.00 0.00 N ATOM 840 CA PRO A 53 92.574 -2.475 15.111 1.00 0.00 C ATOM 841 C PRO A 53 93.518 -3.409 15.850 1.00 0.00 C ATOM 842 O PRO A 53 94.693 -3.522 15.500 1.00 0.00 O ATOM 843 CB PRO A 53 92.681 -1.036 15.629 1.00 0.00 C ATOM 844 CG PRO A 53 91.522 -0.865 16.553 1.00 0.00 C ATOM 845 CD PRO A 53 90.412 -1.770 16.023 1.00 0.00 C ATOM 0 HA PRO A 53 92.868 -2.565 14.065 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.626 -0.874 16.148 1.00 0.00 H new ATOM 0 HB3 PRO A 53 92.640 -0.319 14.809 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.794 -1.140 17.572 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.196 0.175 16.579 1.00 0.00 H new ATOM 0 HD2 PRO A 53 89.802 -2.172 16.832 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.740 -1.231 15.355 1.00 0.00 H new ATOM 853 N GLN A 54 93.007 -4.069 16.879 1.00 0.00 N ATOM 854 CA GLN A 54 93.835 -4.976 17.653 1.00 0.00 C ATOM 855 C GLN A 54 94.067 -6.284 16.903 1.00 0.00 C ATOM 856 O GLN A 54 95.049 -6.983 17.154 1.00 0.00 O ATOM 857 CB GLN A 54 93.183 -5.267 19.006 1.00 0.00 C ATOM 858 CG GLN A 54 92.882 -3.952 19.726 1.00 0.00 C ATOM 859 CD GLN A 54 94.182 -3.276 20.151 1.00 0.00 C ATOM 860 OE1 GLN A 54 94.768 -3.641 21.171 1.00 0.00 O ATOM 861 NE2 GLN A 54 94.671 -2.307 19.426 1.00 0.00 N ATOM 0 H GLN A 54 92.039 -3.995 17.192 1.00 0.00 H new ATOM 0 HA GLN A 54 94.799 -4.493 17.813 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.263 -5.833 18.863 1.00 0.00 H new ATOM 0 HB3 GLN A 54 93.845 -5.883 19.615 1.00 0.00 H new ATOM 0 HG2 GLN A 54 92.317 -3.290 19.070 1.00 0.00 H new ATOM 0 HG3 GLN A 54 92.259 -4.142 20.600 1.00 0.00 H new ATOM 0 HE21 GLN A 54 94.184 -2.006 18.582 1.00 0.00 H new ATOM 0 HE22 GLN A 54 95.540 -1.851 19.704 1.00 0.00 H new ATOM 870 N ARG A 55 93.163 -6.616 15.983 1.00 0.00 N ATOM 871 CA ARG A 55 93.300 -7.850 15.212 1.00 0.00 C ATOM 872 C ARG A 55 93.954 -7.563 13.857 1.00 0.00 C ATOM 873 O ARG A 55 93.756 -6.492 13.285 1.00 0.00 O ATOM 874 CB ARG A 55 91.930 -8.498 15.002 1.00 0.00 C ATOM 875 CG ARG A 55 91.420 -9.056 16.332 1.00 0.00 C ATOM 876 CD ARG A 55 90.017 -9.636 16.145 1.00 0.00 C ATOM 877 NE ARG A 55 89.389 -9.865 17.442 1.00 0.00 N ATOM 878 CZ ARG A 55 88.369 -10.706 17.576 1.00 0.00 C ATOM 879 NH1 ARG A 55 87.908 -11.346 16.536 1.00 0.00 N ATOM 880 NH2 ARG A 55 87.828 -10.893 18.748 1.00 0.00 N ATOM 0 H ARG A 55 92.340 -6.058 15.756 1.00 0.00 H new ATOM 0 HA ARG A 55 93.935 -8.537 15.771 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.226 -7.765 14.609 1.00 0.00 H new ATOM 0 HB3 ARG A 55 92.003 -9.297 14.264 1.00 0.00 H new ATOM 0 HG2 ARG A 55 92.097 -9.828 16.697 1.00 0.00 H new ATOM 0 HG3 ARG A 55 91.401 -8.268 17.084 1.00 0.00 H new ATOM 0 HD2 ARG A 55 89.408 -8.951 15.554 1.00 0.00 H new ATOM 0 HD3 ARG A 55 90.074 -10.572 15.590 1.00 0.00 H new ATOM 0 HE ARG A 55 89.740 -9.370 18.262 1.00 0.00 H new ATOM 0 HH11 ARG A 55 88.331 -11.201 15.619 1.00 0.00 H new ATOM 0 HH12 ARG A 55 87.125 -11.991 16.640 1.00 0.00 H new ATOM 0 HH21 ARG A 55 88.188 -10.394 19.561 1.00 0.00 H new ATOM 0 HH22 ARG A 55 87.045 -11.538 18.851 1.00 0.00 H new ATOM 894 N PRO A 56 94.733 -8.486 13.342 1.00 0.00 N ATOM 895 CA PRO A 56 95.436 -8.311 12.033 1.00 0.00 C ATOM 896 C PRO A 56 94.484 -8.034 10.872 1.00 0.00 C ATOM 897 O PRO A 56 93.289 -8.318 10.941 1.00 0.00 O ATOM 898 CB PRO A 56 96.187 -9.632 11.819 1.00 0.00 C ATOM 899 CG PRO A 56 96.257 -10.282 13.160 1.00 0.00 C ATOM 900 CD PRO A 56 95.038 -9.797 13.943 1.00 0.00 C ATOM 0 HA PRO A 56 96.095 -7.443 12.060 1.00 0.00 H new ATOM 0 HB2 PRO A 56 95.665 -10.267 11.103 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.185 -9.454 11.418 1.00 0.00 H new ATOM 0 HG2 PRO A 56 96.250 -11.368 13.065 1.00 0.00 H new ATOM 0 HG3 PRO A 56 97.180 -10.013 13.674 1.00 0.00 H new ATOM 0 HD2 PRO A 56 94.200 -10.487 13.845 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.256 -9.708 15.007 1.00 0.00 H new ATOM 908 N PHE A 57 95.050 -7.490 9.800 1.00 0.00 N ATOM 909 CA PHE A 57 94.296 -7.177 8.592 1.00 0.00 C ATOM 910 C PHE A 57 95.029 -7.766 7.389 1.00 0.00 C ATOM 911 O PHE A 57 96.246 -7.940 7.438 1.00 0.00 O ATOM 912 CB PHE A 57 94.207 -5.657 8.408 1.00 0.00 C ATOM 913 CG PHE A 57 93.443 -5.027 9.552 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.032 -4.921 10.817 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.149 -4.536 9.341 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.324 -4.327 11.871 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.443 -3.943 10.392 1.00 0.00 C ATOM 918 CZ PHE A 57 92.029 -3.839 11.656 1.00 0.00 C ATOM 0 H PHE A 57 96.041 -7.254 9.744 1.00 0.00 H new ATOM 0 HA PHE A 57 93.293 -7.594 8.677 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.209 -5.232 8.355 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.713 -5.428 7.464 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.031 -5.297 10.981 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.695 -4.615 8.364 1.00 0.00 H new ATOM 0 HE1 PHE A 57 93.777 -4.246 12.848 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.445 -3.565 10.227 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.483 -3.382 12.468 1.00 0.00 H new ATOM 928 N GLU A 58 94.312 -8.049 6.303 1.00 0.00 N ATOM 929 CA GLU A 58 94.963 -8.586 5.106 1.00 0.00 C ATOM 930 C GLU A 58 94.686 -7.666 3.927 1.00 0.00 C ATOM 931 O GLU A 58 93.580 -7.159 3.787 1.00 0.00 O ATOM 932 CB GLU A 58 94.464 -10.000 4.804 1.00 0.00 C ATOM 933 CG GLU A 58 94.535 -10.850 6.073 1.00 0.00 C ATOM 934 CD GLU A 58 94.006 -12.252 5.789 1.00 0.00 C ATOM 935 OE1 GLU A 58 92.802 -12.435 5.862 1.00 0.00 O ATOM 936 OE2 GLU A 58 94.812 -13.121 5.502 1.00 0.00 O ATOM 0 H GLU A 58 93.303 -7.920 6.225 1.00 0.00 H new ATOM 0 HA GLU A 58 96.038 -8.639 5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.439 -9.964 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 58 95.070 -10.450 4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 58 95.564 -10.905 6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 58 93.950 -10.385 6.866 1.00 0.00 H new ATOM 943 N ALA A 59 95.693 -7.411 3.106 1.00 0.00 N ATOM 944 CA ALA A 59 95.534 -6.507 1.973 1.00 0.00 C ATOM 945 C ALA A 59 95.842 -7.186 0.651 1.00 0.00 C ATOM 946 O ALA A 59 96.818 -7.926 0.530 1.00 0.00 O ATOM 947 CB ALA A 59 96.503 -5.343 2.139 1.00 0.00 C ATOM 0 H ALA A 59 96.625 -7.814 3.200 1.00 0.00 H new ATOM 0 HA ALA A 59 94.496 -6.175 1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.396 -4.658 1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.283 -4.816 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.525 -5.722 2.170 1.00 0.00 H new ATOM 953 N ARG A 60 95.030 -6.880 -0.355 1.00 0.00 N ATOM 954 CA ARG A 60 95.252 -7.411 -1.690 1.00 0.00 C ATOM 955 C ARG A 60 95.379 -6.244 -2.658 1.00 0.00 C ATOM 956 O ARG A 60 94.516 -5.367 -2.690 1.00 0.00 O ATOM 957 CB ARG A 60 94.072 -8.293 -2.119 1.00 0.00 C ATOM 958 CG ARG A 60 94.122 -9.652 -1.392 1.00 0.00 C ATOM 959 CD ARG A 60 93.570 -10.765 -2.300 1.00 0.00 C ATOM 960 NE ARG A 60 92.707 -11.664 -1.542 1.00 0.00 N ATOM 961 CZ ARG A 60 93.138 -12.281 -0.446 1.00 0.00 C ATOM 962 NH1 ARG A 60 94.353 -12.081 -0.015 1.00 0.00 N ATOM 963 NH2 ARG A 60 92.341 -13.090 0.199 1.00 0.00 N ATOM 0 H ARG A 60 94.217 -6.270 -0.270 1.00 0.00 H new ATOM 0 HA ARG A 60 96.160 -8.015 -1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.132 -7.788 -1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.100 -8.449 -3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 60 95.149 -9.882 -1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 60 93.539 -9.602 -0.472 1.00 0.00 H new ATOM 0 HD2 ARG A 60 93.010 -10.325 -3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 60 94.395 -11.327 -2.738 1.00 0.00 H new ATOM 0 HE ARG A 60 91.751 -11.823 -1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 60 94.976 -11.450 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 60 94.680 -12.556 0.826 1.00 0.00 H new ATOM 0 HH21 ARG A 60 91.391 -13.247 -0.138 1.00 0.00 H new ATOM 0 HH22 ARG A 60 92.668 -13.565 1.040 1.00 0.00 H new ATOM 977 N LEU A 61 96.453 -6.220 -3.437 1.00 0.00 N ATOM 978 CA LEU A 61 96.663 -5.130 -4.388 1.00 0.00 C ATOM 979 C LEU A 61 96.408 -5.613 -5.807 1.00 0.00 C ATOM 980 O LEU A 61 96.594 -6.791 -6.114 1.00 0.00 O ATOM 981 CB LEU A 61 98.098 -4.599 -4.276 1.00 0.00 C ATOM 982 CG LEU A 61 98.224 -3.663 -3.066 1.00 0.00 C ATOM 983 CD1 LEU A 61 98.113 -4.468 -1.767 1.00 0.00 C ATOM 984 CD2 LEU A 61 99.585 -2.958 -3.115 1.00 0.00 C ATOM 0 H LEU A 61 97.184 -6.931 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 61 95.964 -4.327 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.795 -5.431 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.368 -4.066 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 61 97.423 -2.925 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 61 98.204 -3.796 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 61 97.147 -4.971 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 61 98.910 -5.211 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 61 99.681 -2.291 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 61 100.381 -3.702 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 61 99.662 -2.379 -4.035 1.00 0.00 H new ATOM 996 N TYR A 62 95.979 -4.698 -6.670 1.00 0.00 N ATOM 997 CA TYR A 62 95.702 -5.045 -8.058 1.00 0.00 C ATOM 998 C TYR A 62 96.308 -4.013 -9.004 1.00 0.00 C ATOM 999 O TYR A 62 95.842 -2.872 -9.081 1.00 0.00 O ATOM 1000 CB TYR A 62 94.190 -5.125 -8.281 1.00 0.00 C ATOM 1001 CG TYR A 62 93.570 -5.988 -7.206 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.226 -5.428 -5.969 1.00 0.00 C ATOM 1003 CD2 TYR A 62 93.341 -7.348 -7.447 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.654 -6.231 -4.973 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.770 -8.149 -6.452 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.426 -7.591 -5.215 1.00 0.00 C ATOM 1007 OH TYR A 62 91.865 -8.381 -4.233 1.00 0.00 O ATOM 0 H TYR A 62 95.817 -3.719 -6.435 1.00 0.00 H new ATOM 0 HA TYR A 62 96.153 -6.015 -8.268 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.754 -4.126 -8.257 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.978 -5.542 -9.265 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.401 -4.379 -5.783 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.605 -7.779 -8.401 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.389 -5.801 -4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 62 92.595 -9.198 -6.638 1.00 0.00 H new ATOM 0 HH TYR A 62 91.556 -9.223 -4.627 1.00 0.00 H new ATOM 1017 N LEU A 63 97.349 -4.431 -9.726 1.00 0.00 N ATOM 1018 CA LEU A 63 98.024 -3.554 -10.682 1.00 0.00 C ATOM 1019 C LEU A 63 97.615 -3.942 -12.100 1.00 0.00 C ATOM 1020 O LEU A 63 96.709 -3.343 -12.679 1.00 0.00 O ATOM 1021 CB LEU A 63 99.547 -3.669 -10.514 1.00 0.00 C ATOM 1022 CG LEU A 63 100.228 -2.400 -11.038 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.745 -2.538 -10.882 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.884 -2.203 -12.517 1.00 0.00 C ATOM 0 H LEU A 63 97.742 -5.370 -9.667 1.00 0.00 H new ATOM 0 HA LEU A 63 97.733 -2.520 -10.497 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.795 -3.818 -9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.916 -4.540 -11.055 1.00 0.00 H new ATOM 0 HG LEU A 63 99.877 -1.539 -10.469 1.00 0.00 H new ATOM 0 HD11 LEU A 63 102.232 -1.637 -11.254 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.991 -2.676 -9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 63 102.092 -3.400 -11.452 1.00 0.00 H new ATOM 0 HD21 LEU A 63 100.370 -1.300 -12.886 1.00 0.00 H new ATOM 0 HD22 LEU A 63 100.233 -3.063 -13.089 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.804 -2.106 -12.630 1.00 0.00 H new ATOM 1036 N GLY A 64 98.270 -4.963 -12.646 1.00 0.00 N ATOM 1037 CA GLY A 64 97.940 -5.438 -13.983 1.00 0.00 C ATOM 1038 C GLY A 64 96.698 -6.316 -13.914 1.00 0.00 C ATOM 1039 O GLY A 64 96.148 -6.523 -12.832 1.00 0.00 O ATOM 0 H GLY A 64 99.025 -5.472 -12.187 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.765 -4.593 -14.649 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.776 -6.002 -14.397 1.00 0.00 H new ATOM 1043 N LEU A 65 96.242 -6.825 -15.053 1.00 0.00 N ATOM 1044 CA LEU A 65 95.049 -7.663 -15.045 1.00 0.00 C ATOM 1045 C LEU A 65 95.366 -9.035 -14.458 1.00 0.00 C ATOM 1046 O LEU A 65 94.532 -9.642 -13.787 1.00 0.00 O ATOM 1047 CB LEU A 65 94.490 -7.817 -16.462 1.00 0.00 C ATOM 1048 CG LEU A 65 93.880 -6.484 -16.934 1.00 0.00 C ATOM 1049 CD1 LEU A 65 94.366 -6.160 -18.350 1.00 0.00 C ATOM 1050 CD2 LEU A 65 92.351 -6.593 -16.942 1.00 0.00 C ATOM 0 H LEU A 65 96.666 -6.678 -15.969 1.00 0.00 H new ATOM 0 HA LEU A 65 94.296 -7.179 -14.423 1.00 0.00 H new ATOM 0 HB2 LEU A 65 95.283 -8.125 -17.143 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.732 -8.600 -16.480 1.00 0.00 H new ATOM 0 HG LEU A 65 94.190 -5.692 -16.253 1.00 0.00 H new ATOM 0 HD11 LEU A 65 93.930 -5.216 -18.677 1.00 0.00 H new ATOM 0 HD12 LEU A 65 95.453 -6.078 -18.352 1.00 0.00 H new ATOM 0 HD13 LEU A 65 94.061 -6.955 -19.030 1.00 0.00 H new ATOM 0 HD21 LEU A 65 91.921 -5.649 -17.276 1.00 0.00 H new ATOM 0 HD22 LEU A 65 92.047 -7.391 -17.620 1.00 0.00 H new ATOM 0 HD23 LEU A 65 91.997 -6.817 -15.936 1.00 0.00 H new ATOM 1062 N ASP A 66 96.579 -9.517 -14.714 1.00 0.00 N ATOM 1063 CA ASP A 66 97.033 -10.813 -14.222 1.00 0.00 C ATOM 1064 C ASP A 66 97.910 -10.650 -12.984 1.00 0.00 C ATOM 1065 O ASP A 66 98.546 -11.606 -12.537 1.00 0.00 O ATOM 1066 CB ASP A 66 97.878 -11.475 -15.314 1.00 0.00 C ATOM 1067 CG ASP A 66 98.229 -12.904 -14.910 1.00 0.00 C ATOM 1068 OD1 ASP A 66 97.448 -13.791 -15.210 1.00 0.00 O ATOM 1069 OD2 ASP A 66 99.273 -13.087 -14.306 1.00 0.00 O ATOM 0 H ASP A 66 97.275 -9.019 -15.269 1.00 0.00 H new ATOM 0 HA ASP A 66 96.161 -11.415 -13.966 1.00 0.00 H new ATOM 0 HB2 ASP A 66 97.330 -11.479 -16.256 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.790 -10.901 -15.478 1.00 0.00 H new ATOM 1074 N VAL A 67 97.967 -9.433 -12.446 1.00 0.00 N ATOM 1075 CA VAL A 67 98.804 -9.168 -11.275 1.00 0.00 C ATOM 1076 C VAL A 67 97.973 -8.995 -10.007 1.00 0.00 C ATOM 1077 O VAL A 67 97.488 -7.902 -9.706 1.00 0.00 O ATOM 1078 CB VAL A 67 99.657 -7.912 -11.517 1.00 0.00 C ATOM 1079 CG1 VAL A 67 100.150 -7.338 -10.181 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.869 -8.281 -12.378 1.00 0.00 C ATOM 0 H VAL A 67 97.452 -8.625 -12.795 1.00 0.00 H new ATOM 0 HA VAL A 67 99.452 -10.032 -11.129 1.00 0.00 H new ATOM 0 HB VAL A 67 99.048 -7.165 -12.026 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.753 -6.449 -10.367 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.294 -7.073 -9.561 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.754 -8.084 -9.665 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.476 -7.392 -12.552 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.466 -9.033 -11.863 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.529 -8.680 -13.333 1.00 0.00 H new ATOM 1090 N LEU A 68 97.845 -10.084 -9.256 1.00 0.00 N ATOM 1091 CA LEU A 68 97.113 -10.070 -7.994 1.00 0.00 C ATOM 1092 C LEU A 68 98.102 -10.350 -6.865 1.00 0.00 C ATOM 1093 O LEU A 68 98.740 -11.402 -6.836 1.00 0.00 O ATOM 1094 CB LEU A 68 95.989 -11.126 -8.028 1.00 0.00 C ATOM 1095 CG LEU A 68 95.752 -11.744 -6.640 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.355 -10.660 -5.623 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.624 -12.774 -6.742 1.00 0.00 C ATOM 0 H LEU A 68 98.241 -10.992 -9.501 1.00 0.00 H new ATOM 0 HA LEU A 68 96.647 -9.098 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.067 -10.666 -8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.248 -11.912 -8.738 1.00 0.00 H new ATOM 0 HG LEU A 68 96.673 -12.219 -6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 68 95.192 -11.118 -4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 68 96.153 -9.922 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.438 -10.171 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.448 -13.219 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.714 -12.284 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 68 94.906 -13.554 -7.449 1.00 0.00 H new ATOM 1109 N ILE A 69 98.254 -9.389 -5.958 1.00 0.00 N ATOM 1110 CA ILE A 69 99.204 -9.535 -4.856 1.00 0.00 C ATOM 1111 C ILE A 69 98.496 -9.648 -3.509 1.00 0.00 C ATOM 1112 O ILE A 69 97.454 -9.033 -3.291 1.00 0.00 O ATOM 1113 CB ILE A 69 100.145 -8.327 -4.849 1.00 0.00 C ATOM 1114 CG1 ILE A 69 101.104 -8.416 -6.052 1.00 0.00 C ATOM 1115 CG2 ILE A 69 100.947 -8.302 -3.542 1.00 0.00 C ATOM 1116 CD1 ILE A 69 101.017 -7.132 -6.880 1.00 0.00 C ATOM 0 H ILE A 69 97.738 -8.509 -5.962 1.00 0.00 H new ATOM 0 HA ILE A 69 99.768 -10.455 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 69 99.559 -7.411 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 69 102.126 -8.567 -5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.848 -9.276 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.615 -7.441 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.263 -8.231 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.534 -9.217 -3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.697 -7.200 -7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 69 99.997 -7.000 -7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.295 -6.280 -6.260 1.00 0.00 H new ATOM 1128 N ARG A 70 99.086 -10.434 -2.606 1.00 0.00 N ATOM 1129 CA ARG A 70 98.525 -10.620 -1.269 1.00 0.00 C ATOM 1130 C ARG A 70 99.575 -10.353 -0.191 1.00 0.00 C ATOM 1131 O ARG A 70 100.705 -10.853 -0.257 1.00 0.00 O ATOM 1132 CB ARG A 70 97.969 -12.036 -1.121 1.00 0.00 C ATOM 1133 CG ARG A 70 99.077 -13.046 -1.427 1.00 0.00 C ATOM 1134 CD ARG A 70 98.477 -14.448 -1.543 1.00 0.00 C ATOM 1135 NE ARG A 70 99.483 -15.390 -2.023 1.00 0.00 N ATOM 1136 CZ ARG A 70 99.175 -16.658 -2.267 1.00 0.00 C ATOM 1137 NH1 ARG A 70 97.954 -17.081 -2.079 1.00 0.00 N ATOM 1138 NH2 ARG A 70 100.091 -17.483 -2.696 1.00 0.00 N ATOM 0 H ARG A 70 99.949 -10.950 -2.777 1.00 0.00 H new ATOM 0 HA ARG A 70 97.714 -9.903 -1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 70 97.592 -12.187 -0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 70 97.129 -12.183 -1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 70 99.581 -12.778 -2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 70 99.829 -13.026 -0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 70 98.100 -14.771 -0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 70 97.628 -14.432 -2.226 1.00 0.00 H new ATOM 0 HE ARG A 70 100.439 -15.069 -2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 70 97.237 -16.437 -1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 70 97.717 -18.055 -2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 70 101.045 -17.154 -2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 70 99.853 -18.457 -2.883 1.00 0.00 H new ATOM 1152 N MET A 71 99.182 -9.560 0.803 1.00 0.00 N ATOM 1153 CA MET A 71 100.070 -9.211 1.906 1.00 0.00 C ATOM 1154 C MET A 71 99.281 -9.117 3.211 1.00 0.00 C ATOM 1155 O MET A 71 98.107 -8.754 3.211 1.00 0.00 O ATOM 1156 CB MET A 71 100.763 -7.859 1.630 1.00 0.00 C ATOM 1157 CG MET A 71 100.177 -7.190 0.379 1.00 0.00 C ATOM 1158 SD MET A 71 100.366 -5.391 0.507 1.00 0.00 S ATOM 1159 CE MET A 71 102.116 -5.350 0.977 1.00 0.00 C ATOM 0 H MET A 71 98.252 -9.147 0.866 1.00 0.00 H new ATOM 0 HA MET A 71 100.826 -9.991 1.996 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.641 -7.201 2.490 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.834 -8.015 1.497 1.00 0.00 H new ATOM 0 HG2 MET A 71 100.684 -7.557 -0.513 1.00 0.00 H new ATOM 0 HG3 MET A 71 99.123 -7.449 0.276 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.549 -4.394 0.684 1.00 0.00 H new ATOM 0 HE2 MET A 71 102.206 -5.474 2.056 1.00 0.00 H new ATOM 0 HE3 MET A 71 102.647 -6.158 0.474 1.00 0.00 H new ATOM 1169 N GLU A 72 99.946 -9.416 4.323 1.00 0.00 N ATOM 1170 CA GLU A 72 99.313 -9.329 5.634 1.00 0.00 C ATOM 1171 C GLU A 72 99.865 -8.102 6.341 1.00 0.00 C ATOM 1172 O GLU A 72 101.083 -7.933 6.414 1.00 0.00 O ATOM 1173 CB GLU A 72 99.612 -10.585 6.456 1.00 0.00 C ATOM 1174 CG GLU A 72 98.956 -10.466 7.833 1.00 0.00 C ATOM 1175 CD GLU A 72 98.906 -11.834 8.506 1.00 0.00 C ATOM 1176 OE1 GLU A 72 98.564 -12.792 7.832 1.00 0.00 O ATOM 1177 OE2 GLU A 72 99.207 -11.903 9.686 1.00 0.00 O ATOM 0 H GLU A 72 100.920 -9.720 4.342 1.00 0.00 H new ATOM 0 HA GLU A 72 98.232 -9.250 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.237 -11.468 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.689 -10.713 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 72 99.517 -9.767 8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 72 97.948 -10.064 7.731 1.00 0.00 H new ATOM 1184 N ILE A 73 98.993 -7.220 6.820 1.00 0.00 N ATOM 1185 CA ILE A 73 99.474 -5.999 7.459 1.00 0.00 C ATOM 1186 C ILE A 73 98.750 -5.684 8.764 1.00 0.00 C ATOM 1187 O ILE A 73 97.635 -6.146 9.005 1.00 0.00 O ATOM 1188 CB ILE A 73 99.274 -4.833 6.497 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.775 -4.685 6.209 1.00 0.00 C ATOM 1190 CG2 ILE A 73 100.045 -5.098 5.191 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.553 -3.677 5.079 1.00 0.00 C ATOM 0 H ILE A 73 97.979 -7.321 6.781 1.00 0.00 H new ATOM 0 HA ILE A 73 100.526 -6.151 7.699 1.00 0.00 H new ATOM 0 HB ILE A 73 99.653 -3.912 6.941 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.353 -5.651 5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.255 -4.355 7.108 1.00 0.00 H new ATOM 0 HG21 ILE A 73 99.899 -4.262 4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.107 -5.206 5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.675 -6.014 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.485 -3.580 4.883 1.00 0.00 H new ATOM 0 HD12 ILE A 73 97.958 -2.708 5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 73 98.057 -4.024 4.177 1.00 0.00 H new ATOM 1203 N SER A 74 99.407 -4.873 9.592 1.00 0.00 N ATOM 1204 CA SER A 74 98.845 -4.458 10.878 1.00 0.00 C ATOM 1205 C SER A 74 98.770 -2.933 10.953 1.00 0.00 C ATOM 1206 O SER A 74 99.515 -2.233 10.267 1.00 0.00 O ATOM 1207 CB SER A 74 99.715 -4.984 12.023 1.00 0.00 C ATOM 1208 OG SER A 74 99.069 -6.095 12.629 1.00 0.00 O ATOM 0 H SER A 74 100.331 -4.489 9.395 1.00 0.00 H new ATOM 0 HA SER A 74 97.840 -4.870 10.969 1.00 0.00 H new ATOM 0 HB2 SER A 74 100.694 -5.279 11.646 1.00 0.00 H new ATOM 0 HB3 SER A 74 99.881 -4.198 12.760 1.00 0.00 H new ATOM 0 HG SER A 74 99.118 -6.869 12.030 1.00 0.00 H new ATOM 1214 N LEU A 75 97.869 -2.424 11.788 1.00 0.00 N ATOM 1215 CA LEU A 75 97.704 -0.982 11.943 1.00 0.00 C ATOM 1216 C LEU A 75 98.955 -0.370 12.559 1.00 0.00 C ATOM 1217 O LEU A 75 99.316 -0.684 13.693 1.00 0.00 O ATOM 1218 CB LEU A 75 96.504 -0.702 12.863 1.00 0.00 C ATOM 1219 CG LEU A 75 95.764 0.568 12.409 1.00 0.00 C ATOM 1220 CD1 LEU A 75 96.759 1.725 12.249 1.00 0.00 C ATOM 1221 CD2 LEU A 75 95.044 0.306 11.073 1.00 0.00 C ATOM 0 H LEU A 75 97.244 -2.986 12.366 1.00 0.00 H new ATOM 0 HA LEU A 75 97.535 -0.540 10.961 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.822 -1.552 12.850 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.846 -0.583 13.891 1.00 0.00 H new ATOM 0 HG LEU A 75 95.025 0.838 13.164 1.00 0.00 H new ATOM 0 HD11 LEU A 75 96.227 2.620 11.927 1.00 0.00 H new ATOM 0 HD12 LEU A 75 97.250 1.917 13.203 1.00 0.00 H new ATOM 0 HD13 LEU A 75 97.508 1.460 11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.522 1.210 10.758 1.00 0.00 H new ATOM 0 HD22 LEU A 75 95.775 0.026 10.315 1.00 0.00 H new ATOM 0 HD23 LEU A 75 94.325 -0.503 11.200 1.00 0.00 H new ATOM 1233 N ALA A 76 99.589 0.542 11.825 1.00 0.00 N ATOM 1234 CA ALA A 76 100.767 1.227 12.340 1.00 0.00 C ATOM 1235 C ALA A 76 100.360 2.582 12.922 1.00 0.00 C ATOM 1236 O ALA A 76 100.850 2.997 13.973 1.00 0.00 O ATOM 1237 CB ALA A 76 101.822 1.379 11.247 1.00 0.00 C ATOM 0 H ALA A 76 99.310 0.820 10.884 1.00 0.00 H new ATOM 0 HA ALA A 76 101.211 0.631 13.137 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.694 1.893 11.652 1.00 0.00 H new ATOM 0 HB2 ALA A 76 102.117 0.394 10.886 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.410 1.959 10.421 1.00 0.00 H new ATOM 1243 N TRP A 77 99.452 3.257 12.222 1.00 0.00 N ATOM 1244 CA TRP A 77 98.960 4.565 12.653 1.00 0.00 C ATOM 1245 C TRP A 77 97.780 4.990 11.776 1.00 0.00 C ATOM 1246 O TRP A 77 97.517 4.380 10.740 1.00 0.00 O ATOM 1247 CB TRP A 77 100.083 5.606 12.533 1.00 0.00 C ATOM 1248 CG TRP A 77 100.464 5.688 11.095 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.465 4.988 10.514 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.861 6.492 10.041 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.457 5.246 9.161 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.507 6.189 8.825 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.809 7.426 10.017 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 100.136 6.792 7.626 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.430 8.039 8.810 1.00 0.00 C ATOM 1256 CH2 TRP A 77 99.097 7.726 7.617 1.00 0.00 C ATOM 0 H TRP A 77 99.040 2.920 11.352 1.00 0.00 H new ATOM 0 HA TRP A 77 98.635 4.498 13.691 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.747 6.577 12.897 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.940 5.317 13.141 1.00 0.00 H new ATOM 0 HD1 TRP A 77 102.156 4.335 11.026 1.00 0.00 H new ATOM 0 HE1 TRP A 77 102.078 4.795 8.489 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.290 7.673 10.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.648 6.539 6.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.621 8.755 8.802 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.808 8.206 6.693 1.00 0.00 H new ATOM 1267 N ALA A 78 97.087 6.051 12.181 1.00 0.00 N ATOM 1268 CA ALA A 78 95.956 6.561 11.404 1.00 0.00 C ATOM 1269 C ALA A 78 95.835 8.067 11.596 1.00 0.00 C ATOM 1270 O ALA A 78 95.716 8.538 12.727 1.00 0.00 O ATOM 1271 CB ALA A 78 94.670 5.897 11.901 1.00 0.00 C ATOM 0 H ALA A 78 97.285 6.572 13.035 1.00 0.00 H new ATOM 0 HA ALA A 78 96.114 6.339 10.349 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.822 6.271 11.327 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.746 4.817 11.774 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.525 6.129 12.956 1.00 0.00 H new ATOM 1277 N ARG A 79 95.859 8.830 10.503 1.00 0.00 N ATOM 1278 CA ARG A 79 95.742 10.280 10.630 1.00 0.00 C ATOM 1279 C ARG A 79 95.126 10.942 9.393 1.00 0.00 C ATOM 1280 O ARG A 79 95.540 10.676 8.265 1.00 0.00 O ATOM 1281 CB ARG A 79 97.127 10.879 10.912 1.00 0.00 C ATOM 1282 CG ARG A 79 96.991 12.205 11.670 1.00 0.00 C ATOM 1283 CD ARG A 79 98.364 12.642 12.187 1.00 0.00 C ATOM 1284 NE ARG A 79 98.219 13.763 13.109 1.00 0.00 N ATOM 1285 CZ ARG A 79 99.134 14.012 14.041 1.00 0.00 C ATOM 1286 NH1 ARG A 79 100.187 13.247 14.144 1.00 0.00 N ATOM 1287 NH2 ARG A 79 98.979 15.022 14.853 1.00 0.00 N ATOM 0 H ARG A 79 95.955 8.482 9.549 1.00 0.00 H new ATOM 0 HA ARG A 79 95.064 10.479 11.460 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.721 10.177 11.497 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.658 11.042 9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.578 12.971 11.013 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.297 12.090 12.503 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.854 11.808 12.690 1.00 0.00 H new ATOM 0 HD3 ARG A 79 99.002 12.929 11.351 1.00 0.00 H new ATOM 0 HE ARG A 79 97.400 14.367 13.037 1.00 0.00 H new ATOM 0 HH11 ARG A 79 100.308 12.458 13.509 1.00 0.00 H new ATOM 0 HH12 ARG A 79 100.889 13.439 14.859 1.00 0.00 H new ATOM 0 HH21 ARG A 79 98.156 15.620 14.772 1.00 0.00 H new ATOM 0 HH22 ARG A 79 99.680 15.214 15.568 1.00 0.00 H new ATOM 1301 N ASP A 80 94.179 11.853 9.622 1.00 0.00 N ATOM 1302 CA ASP A 80 93.564 12.607 8.530 1.00 0.00 C ATOM 1303 C ASP A 80 92.918 11.729 7.460 1.00 0.00 C ATOM 1304 O ASP A 80 93.101 11.975 6.268 1.00 0.00 O ATOM 1305 CB ASP A 80 94.617 13.505 7.877 1.00 0.00 C ATOM 1306 CG ASP A 80 93.944 14.585 7.035 1.00 0.00 C ATOM 1307 OD1 ASP A 80 93.072 14.245 6.252 1.00 0.00 O ATOM 1308 OD2 ASP A 80 94.311 15.739 7.185 1.00 0.00 O ATOM 0 H ASP A 80 93.823 12.085 10.549 1.00 0.00 H new ATOM 0 HA ASP A 80 92.762 13.196 8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.237 13.967 8.645 1.00 0.00 H new ATOM 0 HB3 ASP A 80 95.278 12.906 7.251 1.00 0.00 H new ATOM 1313 N GLY A 81 92.124 10.744 7.863 1.00 0.00 N ATOM 1314 CA GLY A 81 91.428 9.910 6.886 1.00 0.00 C ATOM 1315 C GLY A 81 92.288 8.785 6.326 1.00 0.00 C ATOM 1316 O GLY A 81 91.760 7.754 5.910 1.00 0.00 O ATOM 0 H GLY A 81 91.947 10.505 8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.541 9.481 7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 81 91.084 10.537 6.064 1.00 0.00 H new ATOM 1320 N LEU A 82 93.601 8.970 6.291 1.00 0.00 N ATOM 1321 CA LEU A 82 94.472 7.936 5.749 1.00 0.00 C ATOM 1322 C LEU A 82 94.897 6.973 6.850 1.00 0.00 C ATOM 1323 O LEU A 82 94.863 7.314 8.033 1.00 0.00 O ATOM 1324 CB LEU A 82 95.705 8.576 5.103 1.00 0.00 C ATOM 1325 CG LEU A 82 95.305 9.894 4.435 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.510 10.482 3.694 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.172 9.636 3.437 1.00 0.00 C ATOM 0 H LEU A 82 94.079 9.808 6.624 1.00 0.00 H new ATOM 0 HA LEU A 82 93.924 7.377 4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.472 8.756 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.136 7.898 4.366 1.00 0.00 H new ATOM 0 HG LEU A 82 94.969 10.598 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.223 11.420 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.318 10.666 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 82 96.848 9.779 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 82 93.886 10.574 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.510 8.931 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.313 9.219 3.962 1.00 0.00 H new ATOM 1339 N LEU A 83 95.279 5.764 6.456 1.00 0.00 N ATOM 1340 CA LEU A 83 95.689 4.748 7.417 1.00 0.00 C ATOM 1341 C LEU A 83 97.038 4.163 7.047 1.00 0.00 C ATOM 1342 O LEU A 83 97.271 3.832 5.885 1.00 0.00 O ATOM 1343 CB LEU A 83 94.677 3.600 7.368 1.00 0.00 C ATOM 1344 CG LEU A 83 93.250 4.143 7.470 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.261 3.009 7.176 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.005 4.687 8.884 1.00 0.00 C ATOM 0 H LEU A 83 95.313 5.464 5.482 1.00 0.00 H new ATOM 0 HA LEU A 83 95.744 5.210 8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.795 3.042 6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.867 2.904 8.185 1.00 0.00 H new ATOM 0 HG LEU A 83 93.111 4.948 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.241 3.388 7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.436 2.625 6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.401 2.207 7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 83 91.988 5.073 8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.140 3.886 9.611 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.713 5.489 9.093 1.00 0.00 H new ATOM 1358 N GLY A 84 97.923 4.005 8.020 1.00 0.00 N ATOM 1359 CA GLY A 84 99.224 3.426 7.745 1.00 0.00 C ATOM 1360 C GLY A 84 99.215 1.959 8.110 1.00 0.00 C ATOM 1361 O GLY A 84 98.452 1.529 8.975 1.00 0.00 O ATOM 0 H GLY A 84 97.765 4.266 8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.471 3.547 6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.993 3.948 8.315 1.00 0.00 H new ATOM 1365 N PHE A 85 100.051 1.191 7.442 1.00 0.00 N ATOM 1366 CA PHE A 85 100.112 -0.234 7.700 1.00 0.00 C ATOM 1367 C PHE A 85 101.531 -0.754 7.540 1.00 0.00 C ATOM 1368 O PHE A 85 102.213 -0.426 6.569 1.00 0.00 O ATOM 1369 CB PHE A 85 99.198 -0.953 6.712 1.00 0.00 C ATOM 1370 CG PHE A 85 97.784 -0.973 7.238 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.395 -1.947 8.161 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.862 -0.016 6.798 1.00 0.00 C ATOM 1373 CE1 PHE A 85 96.083 -1.967 8.648 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.550 -0.035 7.285 1.00 0.00 C ATOM 1375 CZ PHE A 85 95.162 -1.010 8.211 1.00 0.00 C ATOM 0 H PHE A 85 100.692 1.525 6.723 1.00 0.00 H new ATOM 0 HA PHE A 85 99.790 -0.421 8.724 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.228 -0.451 5.745 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.550 -1.972 6.553 1.00 0.00 H new ATOM 0 HD1 PHE A 85 98.107 -2.685 8.499 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.163 0.736 6.084 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.782 -2.721 9.361 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.837 0.702 6.946 1.00 0.00 H new ATOM 0 HZ PHE A 85 94.150 -1.023 8.588 1.00 0.00 H new ATOM 1385 N GLU A 86 101.971 -1.584 8.481 1.00 0.00 N ATOM 1386 CA GLU A 86 103.304 -2.157 8.408 1.00 0.00 C ATOM 1387 C GLU A 86 103.186 -3.611 7.966 1.00 0.00 C ATOM 1388 O GLU A 86 102.433 -4.385 8.557 1.00 0.00 O ATOM 1389 CB GLU A 86 103.986 -2.083 9.775 1.00 0.00 C ATOM 1390 CG GLU A 86 105.423 -2.594 9.658 1.00 0.00 C ATOM 1391 CD GLU A 86 106.161 -2.381 10.975 1.00 0.00 C ATOM 1392 OE1 GLU A 86 105.783 -3.011 11.950 1.00 0.00 O ATOM 1393 OE2 GLU A 86 107.090 -1.592 10.990 1.00 0.00 O ATOM 0 H GLU A 86 101.427 -1.871 9.295 1.00 0.00 H new ATOM 0 HA GLU A 86 103.905 -1.597 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 86 103.983 -1.056 10.139 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.435 -2.680 10.501 1.00 0.00 H new ATOM 0 HG2 GLU A 86 105.421 -3.653 9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 86 105.939 -2.071 8.853 1.00 0.00 H new ATOM 1400 N CYS A 87 103.902 -3.974 6.912 1.00 0.00 N ATOM 1401 CA CYS A 87 103.831 -5.335 6.392 1.00 0.00 C ATOM 1402 C CYS A 87 104.466 -6.339 7.351 1.00 0.00 C ATOM 1403 O CYS A 87 105.643 -6.229 7.695 1.00 0.00 O ATOM 1404 CB CYS A 87 104.535 -5.407 5.035 1.00 0.00 C ATOM 1405 SG CYS A 87 103.795 -6.724 4.037 1.00 0.00 S ATOM 0 H CYS A 87 104.533 -3.354 6.403 1.00 0.00 H new ATOM 0 HA CYS A 87 102.778 -5.595 6.280 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.448 -4.452 4.517 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.599 -5.597 5.175 1.00 0.00 H new ATOM 0 HG CYS A 87 104.392 -6.782 2.884 1.00 0.00 H new ATOM 1411 N GLN A 88 103.675 -7.326 7.767 1.00 0.00 N ATOM 1412 CA GLN A 88 104.160 -8.361 8.676 1.00 0.00 C ATOM 1413 C GLN A 88 104.597 -9.592 7.887 1.00 0.00 C ATOM 1414 O GLN A 88 105.536 -10.286 8.273 1.00 0.00 O ATOM 1415 CB GLN A 88 103.057 -8.762 9.662 1.00 0.00 C ATOM 1416 CG GLN A 88 102.250 -7.528 10.061 1.00 0.00 C ATOM 1417 CD GLN A 88 101.133 -7.927 11.018 1.00 0.00 C ATOM 1418 OE1 GLN A 88 99.946 -7.408 10.870 1.00 0.00 O flip ATOM 1419 NE2 GLN A 88 101.348 -8.730 11.926 1.00 0.00 N flip ATOM 0 H GLN A 88 102.699 -7.430 7.490 1.00 0.00 H new ATOM 0 HA GLN A 88 105.011 -7.961 9.228 1.00 0.00 H new ATOM 0 HB2 GLN A 88 102.402 -9.505 9.207 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.497 -9.223 10.547 1.00 0.00 H new ATOM 0 HG2 GLN A 88 102.902 -6.794 10.535 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.829 -7.055 9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 88 102.277 -9.135 12.040 1.00 0.00 H new ATOM 0 HE22 GLN A 88 100.597 -8.991 12.565 1.00 0.00 H new ATOM 1428 N HIS A 89 103.906 -9.853 6.780 1.00 0.00 N ATOM 1429 CA HIS A 89 104.231 -11.003 5.947 1.00 0.00 C ATOM 1430 C HIS A 89 103.604 -10.852 4.564 1.00 0.00 C ATOM 1431 O HIS A 89 102.493 -10.352 4.425 1.00 0.00 O ATOM 1432 CB HIS A 89 103.741 -12.294 6.625 1.00 0.00 C ATOM 1433 CG HIS A 89 102.628 -12.916 5.821 1.00 0.00 C ATOM 1434 ND1 HIS A 89 102.814 -13.368 4.523 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.310 -13.162 6.117 1.00 0.00 C ATOM 1436 CE1 HIS A 89 101.639 -13.855 4.088 1.00 0.00 C ATOM 1437 NE2 HIS A 89 100.687 -13.756 5.021 1.00 0.00 N ATOM 0 H HIS A 89 103.126 -9.289 6.443 1.00 0.00 H new ATOM 0 HA HIS A 89 105.313 -11.059 5.826 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.567 -12.999 6.721 1.00 0.00 H new ATOM 0 HB3 HIS A 89 103.391 -12.073 7.633 1.00 0.00 H new ATOM 0 HD2 HIS A 89 100.829 -12.930 7.056 1.00 0.00 H new ATOM 0 HE1 HIS A 89 101.483 -14.275 3.105 1.00 0.00 H new ATOM 0 HE2 HIS A 89 99.714 -14.052 4.947 1.00 0.00 H new ATOM 1445 N ILE A 90 104.333 -11.288 3.549 1.00 0.00 N ATOM 1446 CA ILE A 90 103.865 -11.206 2.170 1.00 0.00 C ATOM 1447 C ILE A 90 104.360 -12.418 1.386 1.00 0.00 C ATOM 1448 O ILE A 90 105.477 -12.894 1.588 1.00 0.00 O ATOM 1449 CB ILE A 90 104.346 -9.904 1.527 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.060 -9.941 0.024 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.846 -9.737 1.766 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.169 -8.530 -0.564 1.00 0.00 C ATOM 0 H ILE A 90 105.258 -11.705 3.653 1.00 0.00 H new ATOM 0 HA ILE A 90 102.775 -11.207 2.157 1.00 0.00 H new ATOM 0 HB ILE A 90 103.818 -9.061 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.766 -10.607 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 90 103.063 -10.343 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.186 -8.809 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.042 -9.705 2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.381 -10.578 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 90 103.964 -8.565 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 90 103.446 -7.876 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.175 -8.144 -0.400 1.00 0.00 H new ATOM 1464 N ASP A 91 103.493 -12.931 0.513 1.00 0.00 N ATOM 1465 CA ASP A 91 103.820 -14.119 -0.277 1.00 0.00 C ATOM 1466 C ASP A 91 105.099 -13.924 -1.094 1.00 0.00 C ATOM 1467 O ASP A 91 105.403 -12.825 -1.555 1.00 0.00 O ATOM 1468 CB ASP A 91 102.653 -14.470 -1.203 1.00 0.00 C ATOM 1469 CG ASP A 91 102.991 -15.714 -2.019 1.00 0.00 C ATOM 1470 OD1 ASP A 91 103.960 -15.668 -2.757 1.00 0.00 O ATOM 1471 OD2 ASP A 91 102.275 -16.693 -1.891 1.00 0.00 O ATOM 0 H ASP A 91 102.565 -12.546 0.335 1.00 0.00 H new ATOM 0 HA ASP A 91 103.994 -14.941 0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 91 101.751 -14.644 -0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.443 -13.634 -1.870 1.00 0.00 H new ATOM 1476 N LEU A 92 105.848 -15.015 -1.247 1.00 0.00 N ATOM 1477 CA LEU A 92 107.108 -14.973 -1.989 1.00 0.00 C ATOM 1478 C LEU A 92 106.886 -14.395 -3.385 1.00 0.00 C ATOM 1479 O LEU A 92 107.679 -13.585 -3.862 1.00 0.00 O ATOM 1480 CB LEU A 92 107.698 -16.382 -2.102 1.00 0.00 C ATOM 1481 CG LEU A 92 109.069 -16.321 -2.788 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.057 -15.533 -1.920 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.591 -17.745 -2.995 1.00 0.00 C ATOM 0 H LEU A 92 105.607 -15.932 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 92 107.806 -14.333 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.797 -16.825 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.025 -17.023 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 92 108.968 -15.821 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 92 111.027 -15.495 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 92 109.685 -14.519 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 92 110.163 -16.024 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.565 -17.708 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.687 -18.241 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 92 108.893 -18.301 -3.621 1.00 0.00 H new ATOM 1495 N ASP A 93 105.801 -14.808 -4.031 1.00 0.00 N ATOM 1496 CA ASP A 93 105.487 -14.313 -5.364 1.00 0.00 C ATOM 1497 C ASP A 93 105.069 -12.851 -5.283 1.00 0.00 C ATOM 1498 O ASP A 93 105.340 -12.063 -6.189 1.00 0.00 O ATOM 1499 CB ASP A 93 104.356 -15.139 -5.981 1.00 0.00 C ATOM 1500 CG ASP A 93 104.825 -16.571 -6.213 1.00 0.00 C ATOM 1501 OD1 ASP A 93 105.222 -17.207 -5.251 1.00 0.00 O ATOM 1502 OD2 ASP A 93 104.782 -17.010 -7.351 1.00 0.00 O ATOM 0 H ASP A 93 105.130 -15.479 -3.656 1.00 0.00 H new ATOM 0 HA ASP A 93 106.373 -14.402 -5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 93 103.489 -15.134 -5.321 1.00 0.00 H new ATOM 0 HB3 ASP A 93 104.041 -14.693 -6.924 1.00 0.00 H new ATOM 1507 N SER A 94 104.420 -12.495 -4.181 1.00 0.00 N ATOM 1508 CA SER A 94 103.978 -11.124 -3.972 1.00 0.00 C ATOM 1509 C SER A 94 105.183 -10.220 -3.757 1.00 0.00 C ATOM 1510 O SER A 94 105.215 -9.081 -4.224 1.00 0.00 O ATOM 1511 CB SER A 94 103.064 -11.053 -2.751 1.00 0.00 C ATOM 1512 OG SER A 94 101.772 -11.534 -3.101 1.00 0.00 O ATOM 0 H SER A 94 104.189 -13.135 -3.421 1.00 0.00 H new ATOM 0 HA SER A 94 103.429 -10.791 -4.853 1.00 0.00 H new ATOM 0 HB2 SER A 94 103.478 -11.649 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 94 102.997 -10.026 -2.392 1.00 0.00 H new ATOM 0 HG SER A 94 101.857 -12.399 -3.554 1.00 0.00 H new ATOM 1518 N ILE A 95 106.177 -10.745 -3.049 1.00 0.00 N ATOM 1519 CA ILE A 95 107.390 -9.989 -2.778 1.00 0.00 C ATOM 1520 C ILE A 95 108.055 -9.579 -4.082 1.00 0.00 C ATOM 1521 O ILE A 95 108.612 -8.486 -4.190 1.00 0.00 O ATOM 1522 CB ILE A 95 108.372 -10.838 -1.960 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.869 -10.954 -0.521 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.754 -10.178 -1.964 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.758 -11.918 0.270 1.00 0.00 C ATOM 0 H ILE A 95 106.166 -11.686 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 95 107.120 -9.098 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 95 108.445 -11.831 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.871 -9.973 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.838 -11.309 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.448 -10.784 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.115 -10.096 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.683 -9.183 -1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.392 -11.994 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.734 -12.902 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.782 -11.545 0.278 1.00 0.00 H new ATOM 1537 N SER A 96 108.018 -10.472 -5.065 1.00 0.00 N ATOM 1538 CA SER A 96 108.654 -10.188 -6.343 1.00 0.00 C ATOM 1539 C SER A 96 107.893 -9.119 -7.116 1.00 0.00 C ATOM 1540 O SER A 96 108.505 -8.226 -7.700 1.00 0.00 O ATOM 1541 CB SER A 96 108.779 -11.459 -7.177 1.00 0.00 C ATOM 1542 OG SER A 96 110.084 -11.528 -7.739 1.00 0.00 O ATOM 0 H SER A 96 107.563 -11.383 -5.003 1.00 0.00 H new ATOM 0 HA SER A 96 109.654 -9.806 -6.137 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.592 -12.335 -6.556 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.029 -11.463 -7.968 1.00 0.00 H new ATOM 0 HG SER A 96 110.167 -12.345 -8.274 1.00 0.00 H new ATOM 1548 N HIS A 97 106.571 -9.188 -7.121 1.00 0.00 N ATOM 1549 CA HIS A 97 105.813 -8.179 -7.839 1.00 0.00 C ATOM 1550 C HIS A 97 106.093 -6.809 -7.222 1.00 0.00 C ATOM 1551 O HIS A 97 106.196 -5.808 -7.929 1.00 0.00 O ATOM 1552 CB HIS A 97 104.322 -8.495 -7.805 1.00 0.00 C ATOM 1553 CG HIS A 97 103.988 -9.534 -8.839 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.837 -9.218 -10.179 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.754 -10.883 -8.744 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.523 -10.351 -10.831 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.460 -11.397 -10.003 1.00 0.00 N ATOM 0 H HIS A 97 106.017 -9.906 -6.653 1.00 0.00 H new ATOM 0 HA HIS A 97 106.123 -8.172 -8.884 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.041 -8.854 -6.815 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.746 -7.588 -7.991 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.792 -11.458 -7.831 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.344 -10.408 -11.894 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.243 -12.365 -10.242 1.00 0.00 H new ATOM 1565 N LEU A 98 106.263 -6.778 -5.904 1.00 0.00 N ATOM 1566 CA LEU A 98 106.591 -5.531 -5.219 1.00 0.00 C ATOM 1567 C LEU A 98 107.995 -5.091 -5.631 1.00 0.00 C ATOM 1568 O LEU A 98 108.252 -3.898 -5.785 1.00 0.00 O ATOM 1569 CB LEU A 98 106.506 -5.709 -3.696 1.00 0.00 C ATOM 1570 CG LEU A 98 105.161 -5.185 -3.183 1.00 0.00 C ATOM 1571 CD1 LEU A 98 104.033 -6.072 -3.714 1.00 0.00 C ATOM 1572 CD2 LEU A 98 105.153 -5.215 -1.653 1.00 0.00 C ATOM 0 H LEU A 98 106.180 -7.591 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 98 105.872 -4.763 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 98 106.618 -6.762 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 98 107.323 -5.173 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 98 105.014 -4.162 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 98 103.075 -5.700 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 98 104.038 -6.054 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 98 104.181 -7.095 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 98 104.196 -4.842 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 98 105.300 -6.239 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 98 105.957 -4.585 -1.273 1.00 0.00 H new ATOM 1584 N ARG A 99 108.889 -6.048 -5.851 1.00 0.00 N ATOM 1585 CA ARG A 99 110.236 -5.707 -6.292 1.00 0.00 C ATOM 1586 C ARG A 99 110.154 -5.105 -7.692 1.00 0.00 C ATOM 1587 O ARG A 99 110.844 -4.139 -8.016 1.00 0.00 O ATOM 1588 CB ARG A 99 111.123 -6.954 -6.305 1.00 0.00 C ATOM 1589 CG ARG A 99 111.499 -7.319 -4.865 1.00 0.00 C ATOM 1590 CD ARG A 99 112.210 -8.676 -4.837 1.00 0.00 C ATOM 1591 NE ARG A 99 113.636 -8.501 -5.078 1.00 0.00 N ATOM 1592 CZ ARG A 99 114.423 -9.543 -5.322 1.00 0.00 C ATOM 1593 NH1 ARG A 99 113.922 -10.747 -5.342 1.00 0.00 N ATOM 1594 NH2 ARG A 99 115.697 -9.361 -5.541 1.00 0.00 N ATOM 0 H ARG A 99 108.712 -7.046 -5.734 1.00 0.00 H new ATOM 0 HA ARG A 99 110.675 -4.985 -5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.598 -7.784 -6.778 1.00 0.00 H new ATOM 0 HB3 ARG A 99 112.022 -6.769 -6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 99 112.147 -6.551 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 99 110.603 -7.355 -4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 99 112.053 -9.157 -3.872 1.00 0.00 H new ATOM 0 HD3 ARG A 99 111.784 -9.334 -5.594 1.00 0.00 H new ATOM 0 HE ARG A 99 114.037 -7.563 -5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 99 112.926 -10.888 -5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 99 114.526 -11.548 -5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 99 116.088 -8.419 -5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 99 116.302 -10.161 -5.728 1.00 0.00 H new ATOM 1608 N ARG A 100 109.277 -5.685 -8.505 1.00 0.00 N ATOM 1609 CA ARG A 100 109.052 -5.222 -9.870 1.00 0.00 C ATOM 1610 C ARG A 100 108.571 -3.773 -9.875 1.00 0.00 C ATOM 1611 O ARG A 100 109.014 -2.962 -10.686 1.00 0.00 O ATOM 1612 CB ARG A 100 107.983 -6.102 -10.528 1.00 0.00 C ATOM 1613 CG ARG A 100 108.601 -7.436 -10.967 1.00 0.00 C ATOM 1614 CD ARG A 100 109.145 -7.311 -12.392 1.00 0.00 C ATOM 1615 NE ARG A 100 109.660 -8.597 -12.851 1.00 0.00 N ATOM 1616 CZ ARG A 100 110.764 -9.121 -12.328 1.00 0.00 C ATOM 1617 NH1 ARG A 100 111.403 -8.486 -11.384 1.00 0.00 N ATOM 1618 NH2 ARG A 100 111.208 -10.270 -12.758 1.00 0.00 N ATOM 0 H ARG A 100 108.704 -6.486 -8.238 1.00 0.00 H new ATOM 0 HA ARG A 100 109.991 -5.285 -10.420 1.00 0.00 H new ATOM 0 HB2 ARG A 100 107.167 -6.282 -9.828 1.00 0.00 H new ATOM 0 HB3 ARG A 100 107.556 -5.588 -11.389 1.00 0.00 H new ATOM 0 HG2 ARG A 100 109.403 -7.718 -10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 100 107.852 -8.227 -10.922 1.00 0.00 H new ATOM 0 HD2 ARG A 100 108.356 -6.968 -13.061 1.00 0.00 H new ATOM 0 HD3 ARG A 100 109.937 -6.563 -12.422 1.00 0.00 H new ATOM 0 HE ARG A 100 109.164 -9.102 -13.586 1.00 0.00 H new ATOM 0 HH11 ARG A 100 111.055 -7.588 -11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 100 112.250 -8.888 -10.982 1.00 0.00 H new ATOM 0 HH21 ARG A 100 110.708 -10.766 -13.496 1.00 0.00 H new ATOM 0 HH22 ARG A 100 112.055 -10.672 -12.357 1.00 0.00 H new ATOM 1632 N LEU A 101 107.657 -3.458 -8.965 1.00 0.00 N ATOM 1633 CA LEU A 101 107.124 -2.103 -8.884 1.00 0.00 C ATOM 1634 C LEU A 101 108.256 -1.126 -8.576 1.00 0.00 C ATOM 1635 O LEU A 101 108.277 -0.002 -9.074 1.00 0.00 O ATOM 1636 CB LEU A 101 106.035 -2.018 -7.797 1.00 0.00 C ATOM 1637 CG LEU A 101 104.635 -2.044 -8.431 1.00 0.00 C ATOM 1638 CD1 LEU A 101 103.579 -2.089 -7.324 1.00 0.00 C ATOM 1639 CD2 LEU A 101 104.423 -0.788 -9.292 1.00 0.00 C ATOM 0 H LEU A 101 107.274 -4.111 -8.282 1.00 0.00 H new ATOM 0 HA LEU A 101 106.674 -1.840 -9.841 1.00 0.00 H new ATOM 0 HB2 LEU A 101 106.141 -2.851 -7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 101 106.161 -1.103 -7.219 1.00 0.00 H new ATOM 0 HG LEU A 101 104.544 -2.927 -9.063 1.00 0.00 H new ATOM 0 HD11 LEU A 101 102.585 -2.108 -7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 101 103.723 -2.985 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 101 103.677 -1.206 -6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 101 103.428 -0.816 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 101 104.517 0.101 -8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 101 105.173 -0.758 -10.082 1.00 0.00 H new ATOM 1651 N VAL A 102 109.196 -1.574 -7.754 1.00 0.00 N ATOM 1652 CA VAL A 102 110.337 -0.750 -7.377 1.00 0.00 C ATOM 1653 C VAL A 102 111.274 -0.522 -8.566 1.00 0.00 C ATOM 1654 O VAL A 102 111.748 0.592 -8.789 1.00 0.00 O ATOM 1655 CB VAL A 102 111.110 -1.431 -6.244 1.00 0.00 C ATOM 1656 CG1 VAL A 102 112.371 -0.624 -5.928 1.00 0.00 C ATOM 1657 CG2 VAL A 102 110.224 -1.517 -4.992 1.00 0.00 C ATOM 0 H VAL A 102 109.191 -2.504 -7.335 1.00 0.00 H new ATOM 0 HA VAL A 102 109.962 0.218 -7.045 1.00 0.00 H new ATOM 0 HB VAL A 102 111.393 -2.437 -6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 102 112.921 -1.109 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 102 113.001 -0.571 -6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 102 112.091 0.384 -5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 102 110.777 -2.002 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 102 109.936 -0.513 -4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 102 109.329 -2.097 -5.218 1.00 0.00 H new ATOM 1667 N GLU A 103 111.558 -1.590 -9.308 1.00 0.00 N ATOM 1668 CA GLU A 103 112.466 -1.504 -10.453 1.00 0.00 C ATOM 1669 C GLU A 103 111.907 -0.625 -11.570 1.00 0.00 C ATOM 1670 O GLU A 103 112.626 0.202 -12.131 1.00 0.00 O ATOM 1671 CB GLU A 103 112.736 -2.904 -11.007 1.00 0.00 C ATOM 1672 CG GLU A 103 113.535 -3.709 -9.984 1.00 0.00 C ATOM 1673 CD GLU A 103 113.740 -5.133 -10.488 1.00 0.00 C ATOM 1674 OE1 GLU A 103 112.769 -5.734 -10.919 1.00 0.00 O ATOM 1675 OE2 GLU A 103 114.865 -5.603 -10.437 1.00 0.00 O ATOM 0 H GLU A 103 111.176 -2.521 -9.140 1.00 0.00 H new ATOM 0 HA GLU A 103 113.391 -1.049 -10.098 1.00 0.00 H new ATOM 0 HB2 GLU A 103 111.795 -3.408 -11.228 1.00 0.00 H new ATOM 0 HB3 GLU A 103 113.288 -2.836 -11.944 1.00 0.00 H new ATOM 0 HG2 GLU A 103 114.500 -3.234 -9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 103 113.009 -3.724 -9.030 1.00 0.00 H new ATOM 1682 N LEU A 104 110.635 -0.813 -11.902 1.00 0.00 N ATOM 1683 CA LEU A 104 110.015 -0.031 -12.971 1.00 0.00 C ATOM 1684 C LEU A 104 109.772 1.412 -12.538 1.00 0.00 C ATOM 1685 O LEU A 104 109.995 2.343 -13.314 1.00 0.00 O ATOM 1686 CB LEU A 104 108.693 -0.680 -13.401 1.00 0.00 C ATOM 1687 CG LEU A 104 108.967 -1.845 -14.360 1.00 0.00 C ATOM 1688 CD1 LEU A 104 110.071 -2.746 -13.802 1.00 0.00 C ATOM 1689 CD2 LEU A 104 107.686 -2.662 -14.537 1.00 0.00 C ATOM 0 H LEU A 104 110.017 -1.490 -11.455 1.00 0.00 H new ATOM 0 HA LEU A 104 110.702 -0.017 -13.817 1.00 0.00 H new ATOM 0 HB2 LEU A 104 108.153 -1.039 -12.525 1.00 0.00 H new ATOM 0 HB3 LEU A 104 108.057 0.060 -13.887 1.00 0.00 H new ATOM 0 HG LEU A 104 109.291 -1.446 -15.321 1.00 0.00 H new ATOM 0 HD11 LEU A 104 110.254 -3.568 -14.494 1.00 0.00 H new ATOM 0 HD12 LEU A 104 110.986 -2.166 -13.677 1.00 0.00 H new ATOM 0 HD13 LEU A 104 109.761 -3.146 -12.837 1.00 0.00 H new ATOM 0 HD21 LEU A 104 107.875 -3.492 -15.218 1.00 0.00 H new ATOM 0 HD22 LEU A 104 107.366 -3.051 -13.570 1.00 0.00 H new ATOM 0 HD23 LEU A 104 106.903 -2.026 -14.949 1.00 0.00 H new ATOM 1701 N ASN A 105 109.320 1.601 -11.305 1.00 0.00 N ATOM 1702 CA ASN A 105 109.061 2.949 -10.805 1.00 0.00 C ATOM 1703 C ASN A 105 110.328 3.794 -10.888 1.00 0.00 C ATOM 1704 O ASN A 105 110.263 5.020 -10.978 1.00 0.00 O ATOM 1705 CB ASN A 105 108.577 2.894 -9.352 1.00 0.00 C ATOM 1706 CG ASN A 105 107.093 2.540 -9.300 1.00 0.00 C ATOM 1707 OD1 ASN A 105 106.692 1.653 -8.547 1.00 0.00 O ATOM 1708 ND2 ASN A 105 106.248 3.186 -10.057 1.00 0.00 N ATOM 0 H ASN A 105 109.127 0.852 -10.640 1.00 0.00 H new ATOM 0 HA ASN A 105 108.286 3.402 -11.423 1.00 0.00 H new ATOM 0 HB2 ASN A 105 109.154 2.154 -8.797 1.00 0.00 H new ATOM 0 HB3 ASN A 105 108.745 3.857 -8.869 1.00 0.00 H new ATOM 0 HD21 ASN A 105 105.255 2.956 -10.025 1.00 0.00 H new ATOM 0 HD22 ASN A 105 106.581 3.921 -10.681 1.00 0.00 H new ATOM 1715 N LEU A 106 111.478 3.132 -10.855 1.00 0.00 N ATOM 1716 CA LEU A 106 112.752 3.836 -10.925 1.00 0.00 C ATOM 1717 C LEU A 106 112.822 4.694 -12.185 1.00 0.00 C ATOM 1718 O LEU A 106 113.638 5.612 -12.274 1.00 0.00 O ATOM 1719 CB LEU A 106 113.911 2.828 -10.922 1.00 0.00 C ATOM 1720 CG LEU A 106 115.126 3.431 -10.201 1.00 0.00 C ATOM 1721 CD1 LEU A 106 115.014 3.169 -8.697 1.00 0.00 C ATOM 1722 CD2 LEU A 106 116.411 2.789 -10.733 1.00 0.00 C ATOM 0 H LEU A 106 111.555 2.118 -10.781 1.00 0.00 H new ATOM 0 HA LEU A 106 112.835 4.485 -10.053 1.00 0.00 H new ATOM 0 HB2 LEU A 106 113.603 1.908 -10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 106 114.178 2.565 -11.945 1.00 0.00 H new ATOM 0 HG LEU A 106 115.154 4.505 -10.382 1.00 0.00 H new ATOM 0 HD11 LEU A 106 115.877 3.598 -8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 106 114.102 3.628 -8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 106 114.983 2.095 -8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 106 117.272 3.218 -10.220 1.00 0.00 H new ATOM 0 HD22 LEU A 106 116.381 1.714 -10.555 1.00 0.00 H new ATOM 0 HD23 LEU A 106 116.496 2.977 -11.803 1.00 0.00 H new ATOM 1734 N GLY A 107 111.970 4.389 -13.160 1.00 0.00 N ATOM 1735 CA GLY A 107 111.960 5.144 -14.409 1.00 0.00 C ATOM 1736 C GLY A 107 110.563 5.206 -15.015 1.00 0.00 C ATOM 1737 O GLY A 107 110.119 6.264 -15.458 1.00 0.00 O ATOM 0 H GLY A 107 111.286 3.634 -13.111 1.00 0.00 H new ATOM 0 HA2 GLY A 107 112.323 6.155 -14.227 1.00 0.00 H new ATOM 0 HA3 GLY A 107 112.645 4.682 -15.120 1.00 0.00 H new ATOM 1741 N ASP A 108 109.876 4.069 -15.039 1.00 0.00 N ATOM 1742 CA ASP A 108 108.531 4.018 -15.602 1.00 0.00 C ATOM 1743 C ASP A 108 107.598 4.953 -14.841 1.00 0.00 C ATOM 1744 O ASP A 108 106.730 4.505 -14.091 1.00 0.00 O ATOM 1745 CB ASP A 108 107.990 2.590 -15.542 1.00 0.00 C ATOM 1746 CG ASP A 108 108.909 1.656 -16.321 1.00 0.00 C ATOM 1747 OD1 ASP A 108 109.857 1.164 -15.733 1.00 0.00 O ATOM 1748 OD2 ASP A 108 108.654 1.449 -17.496 1.00 0.00 O ATOM 0 H ASP A 108 110.223 3.180 -14.680 1.00 0.00 H new ATOM 0 HA ASP A 108 108.581 4.340 -16.642 1.00 0.00 H new ATOM 0 HB2 ASP A 108 107.918 2.262 -14.505 1.00 0.00 H new ATOM 0 HB3 ASP A 108 106.983 2.555 -15.958 1.00 0.00 H new ATOM 1753 N GLU A 109 107.787 6.252 -15.037 1.00 0.00 N ATOM 1754 CA GLU A 109 106.964 7.247 -14.363 1.00 0.00 C ATOM 1755 C GLU A 109 107.257 8.640 -14.914 1.00 0.00 C ATOM 1756 O GLU A 109 108.371 8.920 -15.358 1.00 0.00 O ATOM 1757 CB GLU A 109 107.245 7.212 -12.854 1.00 0.00 C ATOM 1758 CG GLU A 109 105.943 7.418 -12.079 1.00 0.00 C ATOM 1759 CD GLU A 109 105.068 6.174 -12.197 1.00 0.00 C ATOM 1760 OE1 GLU A 109 105.377 5.194 -11.541 1.00 0.00 O ATOM 1761 OE2 GLU A 109 104.104 6.220 -12.942 1.00 0.00 O ATOM 0 H GLU A 109 108.500 6.640 -15.655 1.00 0.00 H new ATOM 0 HA GLU A 109 105.914 7.016 -14.541 1.00 0.00 H new ATOM 0 HB2 GLU A 109 107.694 6.257 -12.581 1.00 0.00 H new ATOM 0 HB3 GLU A 109 107.963 7.989 -12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 109 106.162 7.622 -11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 109 105.411 8.286 -12.468 1.00 0.00 H new ATOM 1768 N GLU A 110 106.254 9.511 -14.880 1.00 0.00 N ATOM 1769 CA GLU A 110 106.421 10.872 -15.377 1.00 0.00 C ATOM 1770 C GLU A 110 107.483 11.607 -14.562 1.00 0.00 C ATOM 1771 O GLU A 110 108.647 11.207 -14.544 1.00 0.00 O ATOM 1772 CB GLU A 110 105.090 11.625 -15.296 1.00 0.00 C ATOM 1773 CG GLU A 110 104.041 10.904 -16.148 1.00 0.00 C ATOM 1774 CD GLU A 110 102.638 11.301 -15.697 1.00 0.00 C ATOM 1775 OE1 GLU A 110 102.308 11.037 -14.552 1.00 0.00 O ATOM 1776 OE2 GLU A 110 101.915 11.862 -16.504 1.00 0.00 O ATOM 0 H GLU A 110 105.324 9.301 -14.517 1.00 0.00 H new ATOM 0 HA GLU A 110 106.744 10.827 -16.417 1.00 0.00 H new ATOM 0 HB2 GLU A 110 104.755 11.683 -14.260 1.00 0.00 H new ATOM 0 HB3 GLU A 110 105.218 12.649 -15.647 1.00 0.00 H new ATOM 0 HG2 GLU A 110 104.179 11.156 -17.199 1.00 0.00 H new ATOM 0 HG3 GLU A 110 104.168 9.825 -16.060 1.00 0.00 H new ATOM 1783 N LEU A 111 107.076 12.676 -13.884 1.00 0.00 N ATOM 1784 CA LEU A 111 108.009 13.446 -13.067 1.00 0.00 C ATOM 1785 C LEU A 111 108.465 12.608 -11.872 1.00 0.00 C ATOM 1786 O LEU A 111 108.703 11.407 -12.006 1.00 0.00 O ATOM 1787 CB LEU A 111 107.338 14.740 -12.587 1.00 0.00 C ATOM 1788 CG LEU A 111 107.254 15.737 -13.746 1.00 0.00 C ATOM 1789 CD1 LEU A 111 106.443 15.131 -14.894 1.00 0.00 C ATOM 1790 CD2 LEU A 111 106.572 17.019 -13.261 1.00 0.00 C ATOM 0 H LEU A 111 106.118 13.026 -13.883 1.00 0.00 H new ATOM 0 HA LEU A 111 108.881 13.706 -13.666 1.00 0.00 H new ATOM 0 HB2 LEU A 111 106.339 14.524 -12.207 1.00 0.00 H new ATOM 0 HB3 LEU A 111 107.906 15.172 -11.763 1.00 0.00 H new ATOM 0 HG LEU A 111 108.259 15.966 -14.100 1.00 0.00 H new ATOM 0 HD11 LEU A 111 106.386 15.845 -15.716 1.00 0.00 H new ATOM 0 HD12 LEU A 111 106.927 14.218 -15.239 1.00 0.00 H new ATOM 0 HD13 LEU A 111 105.437 14.899 -14.546 1.00 0.00 H new ATOM 0 HD21 LEU A 111 106.510 17.732 -14.083 1.00 0.00 H new ATOM 0 HD22 LEU A 111 105.568 16.785 -12.907 1.00 0.00 H new ATOM 0 HD23 LEU A 111 107.152 17.454 -12.447 1.00 0.00 H new ATOM 1802 N LEU A 112 108.577 13.236 -10.707 1.00 0.00 N ATOM 1803 CA LEU A 112 108.998 12.526 -9.504 1.00 0.00 C ATOM 1804 C LEU A 112 110.349 11.846 -9.713 1.00 0.00 C ATOM 1805 O LEU A 112 110.563 10.722 -9.259 1.00 0.00 O ATOM 1806 CB LEU A 112 107.951 11.474 -9.123 1.00 0.00 C ATOM 1807 CG LEU A 112 106.552 12.118 -9.082 1.00 0.00 C ATOM 1808 CD1 LEU A 112 105.679 11.537 -10.200 1.00 0.00 C ATOM 1809 CD2 LEU A 112 105.892 11.830 -7.729 1.00 0.00 C ATOM 0 H LEU A 112 108.384 14.228 -10.570 1.00 0.00 H new ATOM 0 HA LEU A 112 109.096 13.255 -8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 112 107.964 10.657 -9.845 1.00 0.00 H new ATOM 0 HB3 LEU A 112 108.192 11.044 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 112 106.653 13.194 -9.221 1.00 0.00 H new ATOM 0 HD11 LEU A 112 104.691 11.996 -10.166 1.00 0.00 H new ATOM 0 HD12 LEU A 112 106.141 11.741 -11.166 1.00 0.00 H new ATOM 0 HD13 LEU A 112 105.583 10.460 -10.064 1.00 0.00 H new ATOM 0 HD21 LEU A 112 104.903 12.287 -7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 112 105.798 10.753 -7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 112 106.505 12.246 -6.929 1.00 0.00 H new ATOM 1821 N GLU A 113 111.258 12.535 -10.398 1.00 0.00 N ATOM 1822 CA GLU A 113 112.590 11.987 -10.657 1.00 0.00 C ATOM 1823 C GLU A 113 113.637 13.097 -10.628 1.00 0.00 C ATOM 1824 O GLU A 113 113.899 13.745 -11.641 1.00 0.00 O ATOM 1825 CB GLU A 113 112.615 11.293 -12.026 1.00 0.00 C ATOM 1826 CG GLU A 113 112.242 9.816 -11.866 1.00 0.00 C ATOM 1827 CD GLU A 113 113.423 9.039 -11.293 1.00 0.00 C ATOM 1828 OE1 GLU A 113 114.458 9.647 -11.078 1.00 0.00 O ATOM 1829 OE2 GLU A 113 113.274 7.847 -11.080 1.00 0.00 O ATOM 0 H GLU A 113 111.100 13.467 -10.782 1.00 0.00 H new ATOM 0 HA GLU A 113 112.823 11.260 -9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 113 111.917 11.782 -12.705 1.00 0.00 H new ATOM 0 HB3 GLU A 113 113.606 11.381 -12.471 1.00 0.00 H new ATOM 0 HG2 GLU A 113 111.379 9.720 -11.207 1.00 0.00 H new ATOM 0 HG3 GLU A 113 111.955 9.398 -12.831 1.00 0.00 H new ATOM 1836 N ARG A 114 114.234 13.311 -9.459 1.00 0.00 N ATOM 1837 CA ARG A 114 115.252 14.347 -9.314 1.00 0.00 C ATOM 1838 C ARG A 114 115.898 14.276 -7.931 1.00 0.00 C ATOM 1839 O ARG A 114 115.217 14.376 -6.911 1.00 0.00 O ATOM 1840 CB ARG A 114 114.626 15.732 -9.524 1.00 0.00 C ATOM 1841 CG ARG A 114 113.164 15.711 -9.068 1.00 0.00 C ATOM 1842 CD ARG A 114 112.699 17.134 -8.746 1.00 0.00 C ATOM 1843 NE ARG A 114 112.733 17.965 -9.948 1.00 0.00 N ATOM 1844 CZ ARG A 114 113.776 18.742 -10.229 1.00 0.00 C ATOM 1845 NH1 ARG A 114 114.809 18.772 -9.430 1.00 0.00 N ATOM 1846 NH2 ARG A 114 113.769 19.475 -11.309 1.00 0.00 N ATOM 0 H ARG A 114 114.034 12.787 -8.607 1.00 0.00 H new ATOM 0 HA ARG A 114 116.022 14.182 -10.068 1.00 0.00 H new ATOM 0 HB2 ARG A 114 115.182 16.482 -8.962 1.00 0.00 H new ATOM 0 HB3 ARG A 114 114.685 16.013 -10.575 1.00 0.00 H new ATOM 0 HG2 ARG A 114 112.536 15.282 -9.849 1.00 0.00 H new ATOM 0 HG3 ARG A 114 113.057 15.076 -8.188 1.00 0.00 H new ATOM 0 HD2 ARG A 114 111.687 17.110 -8.341 1.00 0.00 H new ATOM 0 HD3 ARG A 114 113.339 17.568 -7.978 1.00 0.00 H new ATOM 0 HE ARG A 114 111.938 17.949 -10.587 1.00 0.00 H new ATOM 0 HH11 ARG A 114 114.818 18.198 -8.587 1.00 0.00 H new ATOM 0 HH12 ARG A 114 115.606 19.369 -9.649 1.00 0.00 H new ATOM 0 HH21 ARG A 114 112.965 19.452 -11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 114 114.568 20.071 -11.526 1.00 0.00 H new ATOM 1860 N GLU A 115 117.216 14.109 -7.910 1.00 0.00 N ATOM 1861 CA GLU A 115 117.948 14.032 -6.650 1.00 0.00 C ATOM 1862 C GLU A 115 117.541 15.182 -5.732 1.00 0.00 C ATOM 1863 O GLU A 115 117.447 15.018 -4.516 1.00 0.00 O ATOM 1864 CB GLU A 115 119.454 14.089 -6.920 1.00 0.00 C ATOM 1865 CG GLU A 115 119.913 12.776 -7.564 1.00 0.00 C ATOM 1866 CD GLU A 115 119.790 11.629 -6.566 1.00 0.00 C ATOM 1867 OE1 GLU A 115 119.864 11.892 -5.376 1.00 0.00 O ATOM 1868 OE2 GLU A 115 119.622 10.503 -7.007 1.00 0.00 O ATOM 0 H GLU A 115 117.796 14.025 -8.745 1.00 0.00 H new ATOM 0 HA GLU A 115 117.707 13.089 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 115 119.684 14.928 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 115 119.994 14.257 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 115 119.310 12.565 -8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 115 120.946 12.868 -7.898 1.00 0.00 H new ATOM 1875 N LEU A 116 117.288 16.344 -6.328 1.00 0.00 N ATOM 1876 CA LEU A 116 116.880 17.517 -5.561 1.00 0.00 C ATOM 1877 C LEU A 116 115.669 17.189 -4.694 1.00 0.00 C ATOM 1878 O LEU A 116 115.624 17.547 -3.518 1.00 0.00 O ATOM 1879 CB LEU A 116 116.533 18.669 -6.516 1.00 0.00 C ATOM 1880 CG LEU A 116 117.778 19.517 -6.791 1.00 0.00 C ATOM 1881 CD1 LEU A 116 118.835 18.666 -7.497 1.00 0.00 C ATOM 1882 CD2 LEU A 116 117.398 20.698 -7.686 1.00 0.00 C ATOM 0 H LEU A 116 117.358 16.498 -7.334 1.00 0.00 H new ATOM 0 HA LEU A 116 117.706 17.817 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 116 116.141 18.271 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 116 115.750 19.289 -6.081 1.00 0.00 H new ATOM 0 HG LEU A 116 118.181 19.885 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 116 119.720 19.272 -7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 116 119.106 17.822 -6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 116 118.434 18.297 -8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 116 118.282 21.304 -7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 116 116.995 20.326 -8.628 1.00 0.00 H new ATOM 0 HD23 LEU A 116 116.646 21.307 -7.185 1.00 0.00 H new ATOM 1894 N ALA A 117 114.690 16.503 -5.274 1.00 0.00 N ATOM 1895 CA ALA A 117 113.488 16.134 -4.537 1.00 0.00 C ATOM 1896 C ALA A 117 113.804 15.139 -3.425 1.00 0.00 C ATOM 1897 O ALA A 117 113.402 15.326 -2.276 1.00 0.00 O ATOM 1898 CB ALA A 117 112.496 15.481 -5.501 1.00 0.00 C ATOM 0 H ALA A 117 114.705 16.193 -6.246 1.00 0.00 H new ATOM 0 HA ALA A 117 113.069 17.037 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 117 111.593 15.201 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 117 112.241 16.185 -6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 117 112.947 14.591 -5.939 1.00 0.00 H new ATOM 1904 N LEU A 118 114.494 14.062 -3.786 1.00 0.00 N ATOM 1905 CA LEU A 118 114.822 13.014 -2.825 1.00 0.00 C ATOM 1906 C LEU A 118 115.632 13.540 -1.642 1.00 0.00 C ATOM 1907 O LEU A 118 115.308 13.246 -0.492 1.00 0.00 O ATOM 1908 CB LEU A 118 115.608 11.900 -3.520 1.00 0.00 C ATOM 1909 CG LEU A 118 114.933 11.540 -4.848 1.00 0.00 C ATOM 1910 CD1 LEU A 118 115.602 10.298 -5.438 1.00 0.00 C ATOM 1911 CD2 LEU A 118 113.448 11.251 -4.608 1.00 0.00 C ATOM 0 H LEU A 118 114.836 13.892 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 118 113.879 12.629 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 118 116.634 12.223 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 118 115.658 11.021 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 118 115.033 12.374 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 118 115.123 10.041 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 118 116.659 10.501 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 118 115.502 9.465 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 118 112.970 10.995 -5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 118 113.347 10.417 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 118 112.969 12.135 -4.186 1.00 0.00 H new ATOM 1923 N LEU A 119 116.694 14.294 -1.909 1.00 0.00 N ATOM 1924 CA LEU A 119 117.522 14.801 -0.819 1.00 0.00 C ATOM 1925 C LEU A 119 116.818 15.917 -0.052 1.00 0.00 C ATOM 1926 O LEU A 119 116.815 15.917 1.176 1.00 0.00 O ATOM 1927 CB LEU A 119 118.856 15.317 -1.373 1.00 0.00 C ATOM 1928 CG LEU A 119 119.781 14.129 -1.708 1.00 0.00 C ATOM 1929 CD1 LEU A 119 120.201 14.188 -3.179 1.00 0.00 C ATOM 1930 CD2 LEU A 119 121.035 14.185 -0.828 1.00 0.00 C ATOM 0 H LEU A 119 116.997 14.562 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 119 117.703 13.978 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 119 118.681 15.916 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 119 119.336 15.968 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 119 119.240 13.201 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 119 120.854 13.345 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 119 119.315 14.141 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 119 120.733 15.120 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 119 121.686 13.344 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 119 121.567 15.119 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 119 120.746 14.132 0.222 1.00 0.00 H new ATOM 1942 N VAL A 120 116.287 16.902 -0.768 1.00 0.00 N ATOM 1943 CA VAL A 120 115.671 18.045 -0.100 1.00 0.00 C ATOM 1944 C VAL A 120 114.561 17.597 0.845 1.00 0.00 C ATOM 1945 O VAL A 120 114.105 18.371 1.686 1.00 0.00 O ATOM 1946 CB VAL A 120 115.109 19.020 -1.138 1.00 0.00 C ATOM 1947 CG1 VAL A 120 114.406 20.179 -0.425 1.00 0.00 C ATOM 1948 CG2 VAL A 120 116.251 19.567 -2.003 1.00 0.00 C ATOM 0 H VAL A 120 116.269 16.935 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 120 116.439 18.547 0.489 1.00 0.00 H new ATOM 0 HB VAL A 120 114.394 18.498 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 120 114.006 20.873 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 120 113.591 19.790 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 120 115.120 20.700 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 120 115.848 20.261 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 120 116.970 20.087 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 120 116.748 18.742 -2.514 1.00 0.00 H new ATOM 1958 N SER A 121 114.154 16.337 0.731 1.00 0.00 N ATOM 1959 CA SER A 121 113.126 15.798 1.613 1.00 0.00 C ATOM 1960 C SER A 121 113.789 15.233 2.867 1.00 0.00 C ATOM 1961 O SER A 121 113.197 14.446 3.599 1.00 0.00 O ATOM 1962 CB SER A 121 112.350 14.692 0.897 1.00 0.00 C ATOM 1963 OG SER A 121 111.828 13.785 1.859 1.00 0.00 O ATOM 0 H SER A 121 114.516 15.676 0.044 1.00 0.00 H new ATOM 0 HA SER A 121 112.433 16.592 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 121 111.539 15.123 0.309 1.00 0.00 H new ATOM 0 HB3 SER A 121 113.003 14.166 0.201 1.00 0.00 H new ATOM 0 HG SER A 121 111.846 14.202 2.746 1.00 0.00 H new ATOM 1969 N ALA A 122 115.028 15.661 3.101 1.00 0.00 N ATOM 1970 CA ALA A 122 115.801 15.218 4.262 1.00 0.00 C ATOM 1971 C ALA A 122 117.245 15.697 4.132 1.00 0.00 C ATOM 1972 O ALA A 122 117.565 16.480 3.239 1.00 0.00 O ATOM 1973 CB ALA A 122 115.779 13.684 4.379 1.00 0.00 C ATOM 0 H ALA A 122 115.522 16.319 2.498 1.00 0.00 H new ATOM 0 HA ALA A 122 115.350 15.643 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 122 116.360 13.377 5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 122 114.750 13.342 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 122 116.212 13.244 3.480 1.00 0.00 H new ATOM 1979 N HIS A 123 118.117 15.214 5.011 1.00 0.00 N ATOM 1980 CA HIS A 123 119.523 15.601 4.956 1.00 0.00 C ATOM 1981 C HIS A 123 120.341 14.842 5.998 1.00 0.00 C ATOM 1982 O HIS A 123 119.840 13.928 6.651 1.00 0.00 O ATOM 1983 CB HIS A 123 119.670 17.113 5.186 1.00 0.00 C ATOM 1984 CG HIS A 123 119.657 17.404 6.663 1.00 0.00 C ATOM 1985 ND1 HIS A 123 120.710 17.053 7.492 1.00 0.00 N ATOM 1986 CD2 HIS A 123 118.726 18.004 7.474 1.00 0.00 C ATOM 1987 CE1 HIS A 123 120.392 17.438 8.741 1.00 0.00 C ATOM 1988 NE2 HIS A 123 119.192 18.024 8.785 1.00 0.00 N ATOM 0 H HIS A 123 117.880 14.563 5.760 1.00 0.00 H new ATOM 0 HA HIS A 123 119.901 15.348 3.965 1.00 0.00 H new ATOM 0 HB2 HIS A 123 120.600 17.469 4.743 1.00 0.00 H new ATOM 0 HB3 HIS A 123 118.857 17.647 4.693 1.00 0.00 H new ATOM 0 HD2 HIS A 123 117.777 18.400 7.145 1.00 0.00 H new ATOM 0 HE1 HIS A 123 121.028 17.292 9.602 1.00 0.00 H new ATOM 0 HE2 HIS A 123 118.719 18.405 9.604 1.00 0.00 H new ATOM 1996 N ASP A 124 121.609 15.228 6.125 1.00 0.00 N ATOM 1997 CA ASP A 124 122.538 14.602 7.066 1.00 0.00 C ATOM 1998 C ASP A 124 121.852 14.057 8.321 1.00 0.00 C ATOM 1999 O ASP A 124 122.441 13.238 9.022 1.00 0.00 O ATOM 2000 CB ASP A 124 123.594 15.625 7.489 1.00 0.00 C ATOM 2001 CG ASP A 124 124.188 16.304 6.260 1.00 0.00 C ATOM 2002 OD1 ASP A 124 123.420 16.692 5.394 1.00 0.00 O ATOM 2003 OD2 ASP A 124 125.400 16.426 6.201 1.00 0.00 O ATOM 0 H ASP A 124 122.022 15.984 5.579 1.00 0.00 H new ATOM 0 HA ASP A 124 122.987 13.755 6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 124 123.146 16.371 8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 124 124.382 15.132 8.058 1.00 0.00 H new ATOM 2008 N ASP A 125 120.620 14.505 8.597 1.00 0.00 N ATOM 2009 CA ASP A 125 119.858 14.054 9.773 1.00 0.00 C ATOM 2010 C ASP A 125 119.335 15.256 10.550 1.00 0.00 C ATOM 2011 O ASP A 125 118.153 15.535 10.449 1.00 0.00 O ATOM 2012 CB ASP A 125 120.700 13.183 10.712 1.00 0.00 C ATOM 2013 CG ASP A 125 119.902 12.858 11.973 1.00 0.00 C ATOM 2014 OD1 ASP A 125 118.880 12.204 11.852 1.00 0.00 O ATOM 2015 OD2 ASP A 125 120.327 13.268 13.041 1.00 0.00 O ATOM 2016 OXT ASP A 125 120.128 15.879 11.239 1.00 0.00 O ATOM 0 H ASP A 125 120.126 15.184 8.018 1.00 0.00 H new ATOM 0 HA ASP A 125 119.029 13.451 9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 125 120.989 12.262 10.206 1.00 0.00 H new ATOM 0 HB3 ASP A 125 121.620 13.703 10.977 1.00 0.00 H new TER 2021 ASP A 125 HETATM 2022 P1 C2E A 501 105.857 3.656 13.211 1.00 0.00 P HETATM 2023 O2P C2E A 501 105.964 2.843 14.443 1.00 0.00 O HETATM 2024 O1P C2E A 501 104.536 4.178 12.782 1.00 0.00 O HETATM 2025 O5' C2E A 501 106.494 2.811 11.991 1.00 0.00 O HETATM 2026 C5' C2E A 501 105.707 2.514 10.835 1.00 0.00 C HETATM 2027 C4' C2E A 501 106.418 1.564 9.865 1.00 0.00 C HETATM 2028 O4' C2E A 501 105.433 0.794 9.157 1.00 0.00 O HETATM 2029 C3' C2E A 501 107.280 2.272 8.803 1.00 0.00 C HETATM 2030 O3' C2E A 501 108.684 2.229 9.127 1.00 0.00 O HETATM 2031 C2' C2E A 501 107.032 1.447 7.553 1.00 0.00 C HETATM 2032 O2' C2E A 501 107.919 0.325 7.480 1.00 0.00 O HETATM 2033 C1' C2E A 501 105.592 1.008 7.751 1.00 0.00 C HETATM 2034 N9 C2E A 501 104.597 2.019 7.343 1.00 0.00 N HETATM 2035 C8 C2E A 501 103.723 2.730 8.119 1.00 0.00 C HETATM 2036 N7 C2E A 501 102.986 3.585 7.477 1.00 0.00 N HETATM 2037 C5 C2E A 501 103.402 3.437 6.156 1.00 0.00 C HETATM 2038 C6 C2E A 501 102.962 4.109 4.987 1.00 0.00 C HETATM 2039 O6 C2E A 501 102.119 4.995 4.890 1.00 0.00 O HETATM 2040 N1 C2E A 501 103.635 3.664 3.859 1.00 0.00 N HETATM 2041 C2 C2E A 501 104.615 2.695 3.852 1.00 0.00 C HETATM 2042 N2 C2E A 501 105.148 2.403 2.667 1.00 0.00 N HETATM 2043 N3 C2E A 501 105.035 2.061 4.952 1.00 0.00 N HETATM 2044 C4 C2E A 501 104.387 2.480 6.063 1.00 0.00 C HETATM 2045 P11 C2E A 501 109.224 1.930 10.619 1.00 0.00 P HETATM 2046 O21 C2E A 501 108.481 0.774 11.165 1.00 0.00 O HETATM 2047 O11 C2E A 501 110.702 1.897 10.577 1.00 0.00 O HETATM 2048 O5A C2E A 501 108.777 3.246 11.423 1.00 0.00 O HETATM 2049 C5A C2E A 501 108.948 4.540 10.847 1.00 0.00 C HETATM 2050 C4A C2E A 501 108.611 5.634 11.848 1.00 0.00 C HETATM 2051 O4A C2E A 501 108.993 6.914 11.335 1.00 0.00 O HETATM 2052 C3A C2E A 501 107.136 5.727 12.204 1.00 0.00 C HETATM 2053 O3A C2E A 501 106.863 4.905 13.341 1.00 0.00 O HETATM 2054 C2A C2E A 501 106.976 7.186 12.572 1.00 0.00 C HETATM 2055 O2A C2E A 501 107.325 7.425 13.939 1.00 0.00 O HETATM 2056 C1A C2E A 501 107.954 7.863 11.617 1.00 0.00 C HETATM 2057 N91 C2E A 501 107.371 8.257 10.320 1.00 0.00 N HETATM 2058 C81 C2E A 501 107.581 7.709 9.084 1.00 0.00 C HETATM 2059 N71 C2E A 501 106.935 8.276 8.114 1.00 0.00 N HETATM 2060 C51 C2E A 501 106.231 9.293 8.747 1.00 0.00 C HETATM 2061 C61 C2E A 501 105.345 10.257 8.196 1.00 0.00 C HETATM 2062 O61 C2E A 501 105.008 10.400 7.024 1.00 0.00 O HETATM 2063 N11 C2E A 501 104.846 11.104 9.173 1.00 0.00 N HETATM 2064 C21 C2E A 501 105.155 11.034 10.517 1.00 0.00 C HETATM 2065 N21 C2E A 501 104.570 11.935 11.306 1.00 0.00 N HETATM 2066 N31 C2E A 501 105.989 10.127 11.040 1.00 0.00 N HETATM 2067 C41 C2E A 501 106.488 9.292 10.100 1.00 0.00 C HETATM 0 HO2A C2E A 501 107.267 6.586 14.443 1.00 0.00 H new HETATM 0 HO2' C2E A 501 108.698 0.486 8.053 1.00 0.00 H new HETATM 0 HN24 C2E A 501 103.934 12.625 10.907 1.00 0.00 H new HETATM 0 HN23 C2E A 501 104.759 11.934 12.308 1.00 0.00 H new HETATM 0 HN22 C2E A 501 105.878 1.694 2.597 1.00 0.00 H new HETATM 0 HN21 C2E A 501 104.826 2.888 1.830 1.00 0.00 H new HETATM 0 HN11 C2E A 501 104.200 11.836 8.876 1.00 0.00 H new HETATM 0 H512 C2E A 501 109.977 4.657 10.508 1.00 0.00 H new HETATM 0 H511 C2E A 501 108.310 4.638 9.969 1.00 0.00 H new HETATM 0 H5'2 C2E A 501 104.763 2.068 11.148 1.00 0.00 H new HETATM 0 H5'1 C2E A 501 105.465 3.442 10.317 1.00 0.00 H new HETATM 0 HN1 C2E A 501 103.385 4.087 2.965 1.00 0.00 H new HETATM 0 H81 C2E A 501 108.243 6.858 8.927 1.00 0.00 H new HETATM 0 H8 C2E A 501 103.651 2.589 9.197 1.00 0.00 H new HETATM 0 H4A C2E A 501 109.164 5.363 12.747 1.00 0.00 H new HETATM 0 H4' C2E A 501 107.079 0.955 10.481 1.00 0.00 H new HETATM 0 H3A C2E A 501 106.468 5.402 11.406 1.00 0.00 H new HETATM 0 H3' C2E A 501 107.024 3.327 8.710 1.00 0.00 H new HETATM 0 H2A C2E A 501 105.953 7.551 12.483 1.00 0.00 H new HETATM 0 H2' C2E A 501 107.202 1.991 6.624 1.00 0.00 H new HETATM 0 H1A C2E A 501 108.294 8.776 12.106 1.00 0.00 H new HETATM 0 H1' C2E A 501 105.417 0.126 7.135 1.00 0.00 H new HETATM 2090 P1 C2E A 502 101.856 12.896 2.568 1.00 0.00 P HETATM 2091 O2P C2E A 502 100.668 13.360 1.818 1.00 0.00 O HETATM 2092 O1P C2E A 502 102.569 11.672 2.140 1.00 0.00 O HETATM 2093 O5' C2E A 502 101.441 12.725 4.115 1.00 0.00 O HETATM 2094 C5' C2E A 502 100.777 11.542 4.573 1.00 0.00 C HETATM 2095 C4' C2E A 502 100.552 11.584 6.083 1.00 0.00 C HETATM 2096 O4' C2E A 502 100.298 10.264 6.590 1.00 0.00 O HETATM 2097 C3' C2E A 502 101.735 12.114 6.867 1.00 0.00 C HETATM 2098 O3' C2E A 502 101.680 13.544 6.927 1.00 0.00 O HETATM 2099 C2' C2E A 502 101.481 11.513 8.230 1.00 0.00 C HETATM 2100 O2' C2E A 502 100.504 12.269 8.955 1.00 0.00 O HETATM 2101 C1' C2E A 502 100.951 10.135 7.863 1.00 0.00 C HETATM 2102 N9 C2E A 502 102.001 9.103 7.735 1.00 0.00 N HETATM 2103 C8 C2E A 502 102.625 8.620 6.616 1.00 0.00 C HETATM 2104 N7 C2E A 502 103.503 7.689 6.837 1.00 0.00 N HETATM 2105 C5 C2E A 502 103.465 7.525 8.215 1.00 0.00 C HETATM 2106 C6 C2E A 502 104.204 6.638 9.041 1.00 0.00 C HETATM 2107 O6 C2E A 502 105.051 5.812 8.708 1.00 0.00 O HETATM 2108 N1 C2E A 502 103.865 6.785 10.377 1.00 0.00 N HETATM 2109 C2 C2E A 502 102.932 7.673 10.864 1.00 0.00 C HETATM 2110 N2 C2E A 502 102.746 7.656 12.184 1.00 0.00 N HETATM 2111 N3 C2E A 502 102.233 8.514 10.089 1.00 0.00 N HETATM 2112 C4 C2E A 502 102.550 8.385 8.778 1.00 0.00 C HETATM 2113 P11 C2E A 502 102.767 14.383 7.765 1.00 0.00 P HETATM 2114 O21 C2E A 502 102.088 15.554 8.362 1.00 0.00 O HETATM 2115 O11 C2E A 502 103.515 13.447 8.631 1.00 0.00 O HETATM 2116 O5A C2E A 502 103.757 14.910 6.615 1.00 0.00 O HETATM 2117 C5A C2E A 502 103.236 15.631 5.497 1.00 0.00 C HETATM 2118 C4A C2E A 502 104.102 15.451 4.257 1.00 0.00 C HETATM 2119 O4A C2E A 502 105.482 15.600 4.602 1.00 0.00 O HETATM 2120 C3A C2E A 502 103.978 14.089 3.589 1.00 0.00 C HETATM 2121 O3A C2E A 502 102.918 14.105 2.626 1.00 0.00 O HETATM 2122 C2A C2E A 502 105.312 13.954 2.888 1.00 0.00 C HETATM 2123 O2A C2E A 502 105.307 14.616 1.618 1.00 0.00 O HETATM 2124 C1A C2E A 502 106.255 14.635 3.873 1.00 0.00 C HETATM 2125 N91 C2E A 502 106.837 13.711 4.851 1.00 0.00 N HETATM 2126 C81 C2E A 502 106.654 13.661 6.202 1.00 0.00 C HETATM 2127 N71 C2E A 502 107.238 12.669 6.799 1.00 0.00 N HETATM 2128 C51 C2E A 502 107.864 11.997 5.751 1.00 0.00 C HETATM 2129 C61 C2E A 502 108.655 10.825 5.773 1.00 0.00 C HETATM 2130 O61 C2E A 502 108.942 10.125 6.735 1.00 0.00 O HETATM 2131 N11 C2E A 502 109.099 10.486 4.503 1.00 0.00 N HETATM 2132 C21 C2E A 502 108.811 11.185 3.350 1.00 0.00 C HETATM 2133 N21 C2E A 502 109.327 10.702 2.221 1.00 0.00 N HETATM 2134 N31 C2E A 502 108.063 12.288 3.326 1.00 0.00 N HETATM 2135 C41 C2E A 502 107.626 12.634 4.557 1.00 0.00 C HETATM 0 HO2A C2E A 502 104.385 14.826 1.362 1.00 0.00 H new HETATM 0 HO2' C2E A 502 100.373 13.137 8.519 1.00 0.00 H new HETATM 0 HN24 C2E A 502 109.900 9.858 2.242 1.00 0.00 H new HETATM 0 HN23 C2E A 502 109.149 11.176 1.335 1.00 0.00 H new HETATM 0 HN22 C2E A 502 102.069 8.288 12.612 1.00 0.00 H new HETATM 0 HN21 C2E A 502 103.280 7.011 12.766 1.00 0.00 H new HETATM 0 HN11 C2E A 502 109.684 9.655 4.416 1.00 0.00 H new HETATM 0 H512 C2E A 502 102.222 15.291 5.285 1.00 0.00 H new HETATM 0 H511 C2E A 502 103.172 16.690 5.745 1.00 0.00 H new HETATM 0 H5'2 C2E A 502 99.819 11.439 4.063 1.00 0.00 H new HETATM 0 H5'1 C2E A 502 101.371 10.665 4.316 1.00 0.00 H new HETATM 0 HN1 C2E A 502 104.344 6.189 11.052 1.00 0.00 H new HETATM 0 H81 C2E A 502 106.061 14.400 6.740 1.00 0.00 H new HETATM 0 H8 C2E A 502 102.402 8.989 5.615 1.00 0.00 H new HETATM 0 H4A C2E A 502 103.746 16.211 3.561 1.00 0.00 H new HETATM 0 H4' C2E A 502 99.705 12.257 6.216 1.00 0.00 H new HETATM 0 H3A C2E A 502 103.756 13.277 4.282 1.00 0.00 H new HETATM 0 H3' C2E A 502 102.710 11.866 6.446 1.00 0.00 H new HETATM 0 H2A C2E A 502 105.587 12.925 2.658 1.00 0.00 H new HETATM 0 H2' C2E A 502 102.358 11.493 8.878 1.00 0.00 H new HETATM 0 H1A C2E A 502 107.075 15.072 3.303 1.00 0.00 H new HETATM 0 H1' C2E A 502 100.289 9.809 8.665 1.00 0.00 H new