USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 801 hydrogens (14 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 NoAdj-H: A 98 ASNHD21 : A 98 ASN ND2 : A 135 NAG C1 :(H bumps) USER MOD Set 1.1: A 66 THR OG1 : rot -63:sc= 1.16 USER MOD Set 1.2: A 121 TYR OH : rot 30:sc= 1.05 USER MOD Set 2.1: A 44 TYR OH : rot 127:sc= 0.00992 USER MOD Set 2.2: A 119 TYR OH : rot -62:sc= 0.47 USER MOD Single : A 35 MET CE :methyl -154:sc= 0 (180deg=-0.757) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 156:sc= -2.18 (180deg=-4.81!) USER MOD Single : A 60 ASN : amide:sc= -2.95! C(o=-2.9!,f=-4.3!) USER MOD Single : A 62 ASN : amide:sc= -1.78! C(o=-1.8!,f=-2.9!) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.8 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -2.4! C(o=-4.9!,f=-2.4!) USER MOD Single : A 78 MET CE :methyl -162:sc= -4.79! (180deg=-6.49!) USER MOD Single : A 80 ASN : amide:sc= 0.367 X(o=0.37,f=-0.017) USER MOD Single : A 82 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.6) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -111:sc= -0.887 (180deg=-3.11!) USER MOD Single : A 92 MET CE :methyl -144:sc= -0.562 (180deg=-1.44!) USER MOD Single : A 93 SER OG : rot 87:sc= 0.328! USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 97 ASN :FLIP amide:sc= -7.44! C(o=-11!,f=-7.4!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0667 X(o=-0.067,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0.00732 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 172:sc= 0.789 (180deg=0.706) USER MOD Single : A 125 GLN : amide:sc= -4.16! C(o=-4.2!,f=-3.9!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 NAG O3 : rot 180:sc= 0 USER MOD Single : A 135 NAG O4 : rot -150:sc= 0.833 USER MOD Single : A 135 NAG O6 : rot 180:sc= 0.781 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -7.258 -1.242 1.217 1.00 0.00 N ATOM 2 CA GLY A 29 -5.972 -1.980 1.030 1.00 0.00 C ATOM 3 C GLY A 29 -6.256 -3.383 0.506 1.00 0.00 C ATOM 4 O GLY A 29 -5.785 -3.763 -0.569 1.00 0.00 O ATOM 0 HA2 GLY A 29 -5.332 -1.443 0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.433 -2.037 1.976 1.00 0.00 H new ATOM 10 N LEU A 30 -7.024 -4.156 1.268 1.00 0.00 N ATOM 11 CA LEU A 30 -7.352 -5.518 0.858 1.00 0.00 C ATOM 12 C LEU A 30 -6.068 -6.304 0.621 1.00 0.00 C ATOM 13 O LEU A 30 -5.907 -6.946 -0.414 1.00 0.00 O ATOM 14 CB LEU A 30 -8.173 -5.492 -0.432 1.00 0.00 C ATOM 15 CG LEU A 30 -9.574 -4.941 -0.144 1.00 0.00 C ATOM 16 CD1 LEU A 30 -9.763 -3.616 -0.881 1.00 0.00 C ATOM 17 CD2 LEU A 30 -10.631 -5.937 -0.634 1.00 0.00 C ATOM 0 H LEU A 30 -7.426 -3.869 2.160 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.934 -5.995 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.675 -4.873 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.246 -6.497 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.683 -4.787 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.759 -3.225 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.015 -2.900 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.650 -3.777 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.626 -5.542 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.517 -6.090 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.503 -6.887 -0.116 1.00 0.00 H new ATOM 29 N PRO A 31 -5.157 -6.256 1.557 1.00 0.00 N ATOM 30 CA PRO A 31 -3.855 -6.968 1.442 1.00 0.00 C ATOM 31 C PRO A 31 -4.043 -8.478 1.315 1.00 0.00 C ATOM 32 O PRO A 31 -4.979 -9.050 1.877 1.00 0.00 O ATOM 33 CB PRO A 31 -3.093 -6.601 2.723 1.00 0.00 C ATOM 34 CG PRO A 31 -4.091 -5.993 3.659 1.00 0.00 C ATOM 35 CD PRO A 31 -5.281 -5.522 2.824 1.00 0.00 C ATOM 0 HA PRO A 31 -3.312 -6.674 0.544 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.635 -7.485 3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.288 -5.899 2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.411 -6.722 4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.648 -5.157 4.200 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.226 -5.744 3.320 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.251 -4.444 2.663 1.00 0.00 H new ATOM 43 N PHE A 32 -3.149 -9.114 0.567 1.00 0.00 N ATOM 44 CA PHE A 32 -3.221 -10.553 0.364 1.00 0.00 C ATOM 45 C PHE A 32 -2.657 -11.294 1.574 1.00 0.00 C ATOM 46 O PHE A 32 -2.790 -12.513 1.681 1.00 0.00 O ATOM 47 CB PHE A 32 -2.442 -10.937 -0.897 1.00 0.00 C ATOM 48 CG PHE A 32 -3.100 -10.301 -2.106 1.00 0.00 C ATOM 49 CD1 PHE A 32 -2.832 -8.964 -2.423 1.00 0.00 C ATOM 50 CD2 PHE A 32 -3.978 -11.044 -2.906 1.00 0.00 C ATOM 51 CE1 PHE A 32 -3.438 -8.371 -3.540 1.00 0.00 C ATOM 52 CE2 PHE A 32 -4.583 -10.450 -4.022 1.00 0.00 C ATOM 53 CZ PHE A 32 -4.312 -9.114 -4.338 1.00 0.00 C ATOM 0 H PHE A 32 -2.370 -8.657 0.094 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.266 -10.838 0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.407 -10.604 -0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.420 -12.021 -1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.158 -8.388 -1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.189 -12.075 -2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.229 -7.340 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.259 -11.024 -4.639 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.778 -8.657 -5.198 1.00 0.00 H new ATOM 63 N GLY A 33 -2.039 -10.545 2.485 1.00 0.00 N ATOM 64 CA GLY A 33 -1.471 -11.134 3.692 1.00 0.00 C ATOM 65 C GLY A 33 -0.245 -11.977 3.362 1.00 0.00 C ATOM 66 O GLY A 33 0.381 -12.557 4.250 1.00 0.00 O ATOM 0 H GLY A 33 -1.920 -9.535 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.197 -10.345 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.220 -11.753 4.187 1.00 0.00 H new ATOM 70 N LEU A 34 0.095 -12.037 2.082 1.00 0.00 N ATOM 71 CA LEU A 34 1.259 -12.804 1.653 1.00 0.00 C ATOM 72 C LEU A 34 1.647 -12.423 0.236 1.00 0.00 C ATOM 73 O LEU A 34 1.190 -13.032 -0.734 1.00 0.00 O ATOM 74 CB LEU A 34 0.960 -14.299 1.725 1.00 0.00 C ATOM 75 CG LEU A 34 2.223 -15.082 1.368 1.00 0.00 C ATOM 76 CD1 LEU A 34 3.228 -14.996 2.522 1.00 0.00 C ATOM 77 CD2 LEU A 34 1.854 -16.543 1.117 1.00 0.00 C ATOM 0 H LEU A 34 -0.411 -11.570 1.329 1.00 0.00 H new ATOM 0 HA LEU A 34 2.090 -12.576 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.623 -14.567 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.153 -14.554 1.038 1.00 0.00 H new ATOM 0 HG LEU A 34 2.673 -14.658 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.127 -15.555 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.488 -13.953 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.784 -15.419 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.752 -17.106 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.405 -16.964 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.142 -16.602 0.294 1.00 0.00 H new ATOM 89 N MET A 35 2.492 -11.411 0.124 1.00 0.00 N ATOM 90 CA MET A 35 2.936 -10.954 -1.180 1.00 0.00 C ATOM 91 C MET A 35 1.754 -10.491 -2.013 1.00 0.00 C ATOM 92 O MET A 35 0.671 -11.072 -1.962 1.00 0.00 O ATOM 93 CB MET A 35 3.662 -12.084 -1.907 1.00 0.00 C ATOM 94 CG MET A 35 5.148 -11.755 -1.994 1.00 0.00 C ATOM 95 SD MET A 35 5.966 -12.944 -3.081 1.00 0.00 S ATOM 96 CE MET A 35 7.651 -12.370 -2.779 1.00 0.00 C ATOM 0 H MET A 35 2.881 -10.895 0.913 1.00 0.00 H new ATOM 0 HA MET A 35 3.617 -10.115 -1.039 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.517 -13.025 -1.377 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.248 -12.214 -2.907 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.286 -10.743 -2.375 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.597 -11.785 -1.001 1.00 0.00 H new ATOM 0 HE1 MET A 35 8.277 -12.610 -3.639 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.646 -11.291 -2.624 1.00 0.00 H new ATOM 0 HE3 MET A 35 8.049 -12.862 -1.891 1.00 0.00 H new ATOM 106 N ARG A 36 1.977 -9.433 -2.771 1.00 0.00 N ATOM 107 CA ARG A 36 0.940 -8.873 -3.618 1.00 0.00 C ATOM 108 C ARG A 36 0.985 -9.499 -5.011 1.00 0.00 C ATOM 109 O ARG A 36 2.057 -9.856 -5.501 1.00 0.00 O ATOM 110 CB ARG A 36 1.146 -7.360 -3.708 1.00 0.00 C ATOM 111 CG ARG A 36 0.972 -6.741 -2.316 1.00 0.00 C ATOM 112 CD ARG A 36 1.393 -5.270 -2.350 1.00 0.00 C ATOM 113 NE ARG A 36 1.162 -4.639 -1.055 1.00 0.00 N ATOM 114 CZ ARG A 36 1.944 -4.901 -0.012 1.00 0.00 C ATOM 115 NH1 ARG A 36 2.963 -5.701 -0.149 1.00 0.00 N ATOM 116 NH2 ARG A 36 1.703 -4.343 1.147 1.00 0.00 N ATOM 0 H ARG A 36 2.870 -8.943 -2.817 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.038 -9.088 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.141 -7.139 -4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.429 -6.925 -4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.067 -6.825 -1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.574 -7.285 -1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.448 -5.194 -2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.832 -4.743 -3.122 1.00 0.00 H new ATOM 0 HE ARG A 36 0.387 -3.985 -0.948 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.160 -6.125 -1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.564 -5.903 0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.914 -3.705 1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.304 -4.546 1.946 1.00 0.00 H new ATOM 130 N ARG A 37 -0.176 -9.616 -5.654 1.00 0.00 N ATOM 131 CA ARG A 37 -0.230 -10.185 -6.995 1.00 0.00 C ATOM 132 C ARG A 37 -1.322 -9.535 -7.829 1.00 0.00 C ATOM 133 O ARG A 37 -2.443 -9.307 -7.369 1.00 0.00 O ATOM 134 CB ARG A 37 -0.460 -11.697 -6.951 1.00 0.00 C ATOM 135 CG ARG A 37 -0.605 -12.223 -8.383 1.00 0.00 C ATOM 136 CD ARG A 37 -0.754 -13.743 -8.348 1.00 0.00 C ATOM 137 NE ARG A 37 0.498 -14.364 -7.935 1.00 0.00 N ATOM 138 CZ ARG A 37 0.716 -14.670 -6.665 1.00 0.00 C ATOM 139 NH1 ARG A 37 -0.155 -14.324 -5.760 1.00 0.00 N ATOM 140 NH2 ARG A 37 1.810 -15.293 -6.317 1.00 0.00 N ATOM 0 H ARG A 37 -1.078 -9.329 -5.273 1.00 0.00 H new ATOM 0 HA ARG A 37 0.736 -9.987 -7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.374 -12.190 -6.452 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.356 -11.925 -6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.474 -11.772 -8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.267 -11.945 -8.975 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.551 -14.021 -7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.042 -14.110 -9.333 1.00 0.00 H new ATOM 0 HE ARG A 37 1.215 -14.565 -8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.999 -13.820 -6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.008 -14.557 -4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.500 -15.546 -7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.974 -15.527 -5.338 1.00 0.00 H new ATOM 154 N GLU A 38 -0.962 -9.237 -9.059 1.00 0.00 N ATOM 155 CA GLU A 38 -1.877 -8.601 -9.993 1.00 0.00 C ATOM 156 C GLU A 38 -1.808 -9.287 -11.345 1.00 0.00 C ATOM 157 O GLU A 38 -0.748 -9.749 -11.766 1.00 0.00 O ATOM 158 CB GLU A 38 -1.510 -7.128 -10.150 1.00 0.00 C ATOM 159 CG GLU A 38 -1.822 -6.375 -8.856 1.00 0.00 C ATOM 160 CD GLU A 38 -0.873 -6.819 -7.746 1.00 0.00 C ATOM 161 OE1 GLU A 38 0.093 -7.497 -8.053 1.00 0.00 O ATOM 162 OE2 GLU A 38 -1.127 -6.473 -6.603 1.00 0.00 O ATOM 0 H GLU A 38 -0.035 -9.425 -9.441 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.892 -8.685 -9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.451 -7.031 -10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.067 -6.691 -10.979 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.726 -5.302 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.854 -6.561 -8.558 1.00 0.00 H new ATOM 169 N LEU A 39 -2.946 -9.349 -12.017 1.00 0.00 N ATOM 170 CA LEU A 39 -3.005 -9.983 -13.320 1.00 0.00 C ATOM 171 C LEU A 39 -3.910 -9.190 -14.256 1.00 0.00 C ATOM 172 O LEU A 39 -4.966 -8.714 -13.843 1.00 0.00 O ATOM 173 CB LEU A 39 -3.538 -11.404 -13.163 1.00 0.00 C ATOM 174 CG LEU A 39 -3.151 -12.250 -14.380 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.240 -13.729 -14.015 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.095 -11.961 -15.548 1.00 0.00 C ATOM 0 H LEU A 39 -3.833 -8.971 -11.684 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.004 -10.012 -13.750 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.135 -11.853 -12.255 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.622 -11.384 -13.055 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.132 -12.000 -14.676 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.965 -14.334 -14.879 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.559 -13.942 -13.191 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.260 -13.969 -13.714 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.809 -12.569 -16.406 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.118 -12.202 -15.258 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.033 -10.906 -15.814 1.00 0.00 H new ATOM 188 N ALA A 40 -3.509 -9.057 -15.516 1.00 0.00 N ATOM 189 CA ALA A 40 -4.320 -8.325 -16.485 1.00 0.00 C ATOM 190 C ALA A 40 -4.369 -9.081 -17.804 1.00 0.00 C ATOM 191 O ALA A 40 -3.359 -9.605 -18.269 1.00 0.00 O ATOM 192 CB ALA A 40 -3.727 -6.934 -16.731 1.00 0.00 C ATOM 0 H ALA A 40 -2.640 -9.440 -15.888 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.328 -8.225 -16.082 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.342 -6.399 -17.455 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.704 -6.378 -15.794 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.713 -7.034 -17.119 1.00 0.00 H new ATOM 198 N CYS A 41 -5.551 -9.140 -18.403 1.00 0.00 N ATOM 199 CA CYS A 41 -5.714 -9.838 -19.666 1.00 0.00 C ATOM 200 C CYS A 41 -5.030 -9.073 -20.790 1.00 0.00 C ATOM 201 O CYS A 41 -5.071 -7.844 -20.844 1.00 0.00 O ATOM 202 CB CYS A 41 -7.195 -10.009 -19.981 1.00 0.00 C ATOM 203 SG CYS A 41 -8.039 -10.637 -18.516 1.00 0.00 S ATOM 0 H CYS A 41 -6.403 -8.716 -18.036 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.251 -10.821 -19.581 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.628 -9.056 -20.285 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.325 -10.699 -20.815 1.00 0.00 H new ATOM 208 N GLU A 42 -4.386 -9.821 -21.667 1.00 0.00 N ATOM 209 CA GLU A 42 -3.663 -9.244 -22.788 1.00 0.00 C ATOM 210 C GLU A 42 -4.466 -8.199 -23.541 1.00 0.00 C ATOM 211 O GLU A 42 -5.639 -8.398 -23.861 1.00 0.00 O ATOM 212 CB GLU A 42 -3.271 -10.352 -23.750 1.00 0.00 C ATOM 213 CG GLU A 42 -2.556 -9.757 -24.968 1.00 0.00 C ATOM 214 CD GLU A 42 -2.290 -10.850 -25.991 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.564 -11.997 -25.684 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.824 -10.526 -27.070 1.00 0.00 O ATOM 0 H GLU A 42 -4.349 -10.839 -21.624 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.785 -8.744 -22.379 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.619 -11.067 -23.248 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.158 -10.899 -24.069 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.167 -8.971 -25.412 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.617 -9.296 -24.661 1.00 0.00 H new ATOM 223 N GLY A 43 -3.800 -7.090 -23.845 1.00 0.00 N ATOM 224 CA GLY A 43 -4.410 -6.009 -24.596 1.00 0.00 C ATOM 225 C GLY A 43 -4.920 -4.888 -23.710 1.00 0.00 C ATOM 226 O GLY A 43 -5.115 -3.776 -24.191 1.00 0.00 O ATOM 0 H GLY A 43 -2.830 -6.920 -23.578 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.682 -5.606 -25.300 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.237 -6.405 -25.185 1.00 0.00 H new ATOM 230 N TYR A 44 -5.123 -5.144 -22.420 1.00 0.00 N ATOM 231 CA TYR A 44 -5.589 -4.096 -21.531 1.00 0.00 C ATOM 232 C TYR A 44 -4.470 -3.692 -20.579 1.00 0.00 C ATOM 233 O TYR A 44 -3.627 -4.511 -20.208 1.00 0.00 O ATOM 234 CB TYR A 44 -6.785 -4.585 -20.711 1.00 0.00 C ATOM 235 CG TYR A 44 -7.745 -5.319 -21.605 1.00 0.00 C ATOM 236 CD1 TYR A 44 -8.114 -4.777 -22.840 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.261 -6.547 -21.201 1.00 0.00 C ATOM 238 CE1 TYR A 44 -9.001 -5.474 -23.671 1.00 0.00 C ATOM 239 CE2 TYR A 44 -9.150 -7.245 -22.028 1.00 0.00 C ATOM 240 CZ TYR A 44 -9.518 -6.710 -23.264 1.00 0.00 C ATOM 241 OH TYR A 44 -10.388 -7.399 -24.081 1.00 0.00 O ATOM 0 H TYR A 44 -4.974 -6.051 -21.978 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.891 -3.240 -22.135 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.445 -5.241 -19.910 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.286 -3.739 -20.240 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.716 -3.823 -23.153 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.975 -6.963 -20.246 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.286 -5.058 -24.626 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.551 -8.196 -21.710 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.061 -8.314 -24.210 1.00 0.00 H new ATOM 251 N PRO A 45 -4.448 -2.456 -20.180 1.00 0.00 N ATOM 252 CA PRO A 45 -3.422 -1.941 -19.240 1.00 0.00 C ATOM 253 C PRO A 45 -3.556 -2.536 -17.840 1.00 0.00 C ATOM 254 O PRO A 45 -4.639 -2.952 -17.427 1.00 0.00 O ATOM 255 CB PRO A 45 -3.657 -0.431 -19.227 1.00 0.00 C ATOM 256 CG PRO A 45 -5.060 -0.232 -19.698 1.00 0.00 C ATOM 257 CD PRO A 45 -5.398 -1.417 -20.592 1.00 0.00 C ATOM 0 HA PRO A 45 -2.414 -2.212 -19.555 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.519 -0.023 -18.226 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -2.949 0.080 -19.880 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.747 -0.177 -18.853 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.154 0.705 -20.247 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.429 -1.741 -20.452 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.283 -1.167 -21.647 1.00 0.00 H new ATOM 265 N ILE A 46 -2.442 -2.561 -17.119 1.00 0.00 N ATOM 266 CA ILE A 46 -2.415 -3.091 -15.755 1.00 0.00 C ATOM 267 C ILE A 46 -2.052 -1.964 -14.793 1.00 0.00 C ATOM 268 O ILE A 46 -1.258 -1.088 -15.135 1.00 0.00 O ATOM 269 CB ILE A 46 -1.377 -4.208 -15.649 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.476 -4.881 -14.276 1.00 0.00 C ATOM 271 CG2 ILE A 46 0.013 -3.606 -15.818 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.602 -6.141 -14.262 1.00 0.00 C ATOM 0 H ILE A 46 -1.541 -2.220 -17.454 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.395 -3.495 -15.502 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.559 -4.952 -16.425 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.152 -4.191 -13.497 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.512 -5.141 -14.060 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.762 -4.394 -15.744 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.086 -3.127 -16.794 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.187 -2.866 -15.037 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.671 -6.621 -13.286 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.947 -6.832 -15.031 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.434 -5.867 -14.459 1.00 0.00 H new ATOM 284 N GLU A 47 -2.640 -1.973 -13.599 1.00 0.00 N ATOM 285 CA GLU A 47 -2.356 -0.916 -12.629 1.00 0.00 C ATOM 286 C GLU A 47 -1.872 -1.489 -11.300 1.00 0.00 C ATOM 287 O GLU A 47 -2.530 -2.335 -10.696 1.00 0.00 O ATOM 288 CB GLU A 47 -3.611 -0.072 -12.381 1.00 0.00 C ATOM 289 CG GLU A 47 -3.243 1.133 -11.508 1.00 0.00 C ATOM 290 CD GLU A 47 -4.503 1.826 -11.002 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.444 1.127 -10.662 1.00 0.00 O ATOM 292 OE2 GLU A 47 -4.507 3.046 -10.960 1.00 0.00 O ATOM 0 H GLU A 47 -3.301 -2.683 -13.284 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.565 -0.294 -13.049 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.030 0.265 -13.329 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.376 -0.672 -11.889 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.636 0.807 -10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.639 1.836 -12.082 1.00 0.00 H new ATOM 299 N LEU A 48 -0.726 -0.995 -10.843 1.00 0.00 N ATOM 300 CA LEU A 48 -0.159 -1.429 -9.570 1.00 0.00 C ATOM 301 C LEU A 48 -0.067 -0.249 -8.610 1.00 0.00 C ATOM 302 O LEU A 48 0.272 0.861 -9.021 1.00 0.00 O ATOM 303 CB LEU A 48 1.233 -2.008 -9.796 1.00 0.00 C ATOM 304 CG LEU A 48 1.144 -3.125 -10.823 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.536 -3.706 -11.075 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.221 -4.217 -10.295 1.00 0.00 C ATOM 0 H LEU A 48 -0.171 -0.294 -11.335 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.805 -2.193 -9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.912 -1.230 -10.144 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.639 -2.390 -8.859 1.00 0.00 H new ATOM 0 HG LEU A 48 0.748 -2.731 -11.759 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.468 -4.506 -11.812 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.195 -2.923 -11.450 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.938 -4.104 -10.143 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.153 -5.021 -11.027 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.620 -4.610 -9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.771 -3.801 -10.119 1.00 0.00 H new ATOM 318 N ARG A 49 -0.351 -0.476 -7.335 1.00 0.00 N ATOM 319 CA ARG A 49 -0.269 0.614 -6.370 1.00 0.00 C ATOM 320 C ARG A 49 0.134 0.118 -4.983 1.00 0.00 C ATOM 321 O ARG A 49 -0.387 -0.880 -4.492 1.00 0.00 O ATOM 322 CB ARG A 49 -1.615 1.337 -6.258 1.00 0.00 C ATOM 323 CG ARG A 49 -1.962 2.046 -7.568 1.00 0.00 C ATOM 324 CD ARG A 49 -3.164 2.965 -7.327 1.00 0.00 C ATOM 325 NE ARG A 49 -3.574 3.630 -8.564 1.00 0.00 N ATOM 326 CZ ARG A 49 -3.356 4.933 -8.757 1.00 0.00 C ATOM 327 NH1 ARG A 49 -2.714 5.634 -7.863 1.00 0.00 N ATOM 328 NH2 ARG A 49 -3.783 5.509 -9.849 1.00 0.00 N ATOM 0 H ARG A 49 -0.633 -1.378 -6.951 1.00 0.00 H new ATOM 0 HA ARG A 49 0.496 1.299 -6.735 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.398 0.621 -6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.576 2.063 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.109 2.625 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.195 1.315 -8.343 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.996 2.384 -6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.910 3.712 -6.576 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.036 3.087 -9.294 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.376 5.187 -7.011 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.551 6.629 -8.016 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.282 4.963 -10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.618 6.504 -9.999 1.00 0.00 H new ATOM 342 N CYS A 50 1.046 0.854 -4.349 1.00 0.00 N ATOM 343 CA CYS A 50 1.491 0.511 -3.004 1.00 0.00 C ATOM 344 C CYS A 50 0.851 1.452 -1.979 1.00 0.00 C ATOM 345 O CYS A 50 0.581 2.616 -2.274 1.00 0.00 O ATOM 346 CB CYS A 50 3.017 0.582 -2.901 1.00 0.00 C ATOM 347 SG CYS A 50 3.737 -1.008 -3.379 1.00 0.00 S ATOM 0 H CYS A 50 1.487 1.685 -4.743 1.00 0.00 H new ATOM 0 HA CYS A 50 1.179 -0.512 -2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.398 1.373 -3.547 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.311 0.833 -1.882 1.00 0.00 H new ATOM 352 N PRO A 51 0.598 0.962 -0.796 1.00 0.00 N ATOM 353 CA PRO A 51 -0.038 1.759 0.296 1.00 0.00 C ATOM 354 C PRO A 51 0.938 2.750 0.929 1.00 0.00 C ATOM 355 O PRO A 51 2.152 2.558 0.869 1.00 0.00 O ATOM 356 CB PRO A 51 -0.480 0.684 1.296 1.00 0.00 C ATOM 357 CG PRO A 51 0.470 -0.454 1.097 1.00 0.00 C ATOM 358 CD PRO A 51 0.896 -0.415 -0.370 1.00 0.00 C ATOM 0 HA PRO A 51 -0.860 2.380 -0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.438 1.057 2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.509 0.374 1.112 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.334 -0.357 1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.008 -1.404 1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.955 -0.647 -0.483 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.345 -1.144 -0.964 1.00 0.00 H new ATOM 366 N GLY A 52 0.402 3.806 1.547 1.00 0.00 N ATOM 367 CA GLY A 52 1.239 4.809 2.202 1.00 0.00 C ATOM 368 C GLY A 52 2.317 5.347 1.260 1.00 0.00 C ATOM 369 O GLY A 52 2.039 5.692 0.114 1.00 0.00 O ATOM 0 H GLY A 52 -0.600 3.986 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.616 5.633 2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.710 4.372 3.082 1.00 0.00 H new ATOM 373 N SER A 53 3.549 5.393 1.762 1.00 0.00 N ATOM 374 CA SER A 53 4.679 5.871 0.961 1.00 0.00 C ATOM 375 C SER A 53 5.620 4.721 0.592 1.00 0.00 C ATOM 376 O SER A 53 6.818 4.924 0.355 1.00 0.00 O ATOM 377 CB SER A 53 5.445 6.978 1.692 1.00 0.00 C ATOM 378 OG SER A 53 5.888 6.495 2.952 1.00 0.00 O ATOM 0 H SER A 53 3.792 5.108 2.711 1.00 0.00 H new ATOM 0 HA SER A 53 4.275 6.289 0.039 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.297 7.301 1.094 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.804 7.849 1.829 1.00 0.00 H new ATOM 0 HG SER A 53 6.380 7.203 3.419 1.00 0.00 H new ATOM 384 N ASP A 54 5.063 3.515 0.514 1.00 0.00 N ATOM 385 CA ASP A 54 5.836 2.349 0.131 1.00 0.00 C ATOM 386 C ASP A 54 6.039 2.363 -1.381 1.00 0.00 C ATOM 387 O ASP A 54 5.323 3.060 -2.099 1.00 0.00 O ATOM 388 CB ASP A 54 5.108 1.066 0.528 1.00 0.00 C ATOM 389 CG ASP A 54 5.052 0.935 2.048 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.791 1.650 2.710 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.276 0.121 2.528 1.00 0.00 O ATOM 0 H ASP A 54 4.080 3.325 0.712 1.00 0.00 H new ATOM 0 HA ASP A 54 6.798 2.378 0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.097 1.072 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.619 0.203 0.101 1.00 0.00 H new ATOM 396 N VAL A 55 6.983 1.571 -1.866 1.00 0.00 N ATOM 397 CA VAL A 55 7.223 1.500 -3.297 1.00 0.00 C ATOM 398 C VAL A 55 7.162 0.052 -3.762 1.00 0.00 C ATOM 399 O VAL A 55 7.534 -0.865 -3.030 1.00 0.00 O ATOM 400 CB VAL A 55 8.579 2.118 -3.646 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.500 3.634 -3.449 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.663 1.544 -2.728 1.00 0.00 C ATOM 0 H VAL A 55 7.587 0.977 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 55 6.448 2.068 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 55 8.828 1.888 -4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.462 4.084 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.729 4.046 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.252 3.854 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.626 1.987 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.420 1.773 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.716 0.463 -2.859 1.00 0.00 H new ATOM 412 N ILE A 56 6.659 -0.145 -4.972 1.00 0.00 N ATOM 413 CA ILE A 56 6.522 -1.481 -5.525 1.00 0.00 C ATOM 414 C ILE A 56 7.880 -2.101 -5.823 1.00 0.00 C ATOM 415 O ILE A 56 8.765 -1.450 -6.381 1.00 0.00 O ATOM 416 CB ILE A 56 5.684 -1.414 -6.805 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.278 -0.906 -6.466 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.596 -2.804 -7.438 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.565 -0.494 -7.756 1.00 0.00 C ATOM 0 H ILE A 56 6.340 0.603 -5.587 1.00 0.00 H new ATOM 0 HA ILE A 56 6.025 -2.111 -4.788 1.00 0.00 H new ATOM 0 HB ILE A 56 6.154 -0.731 -7.513 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.711 -1.684 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.340 -0.058 -5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.999 -2.752 -8.348 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.598 -3.157 -7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.128 -3.494 -6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.565 -0.132 -7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.130 0.298 -8.247 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.492 -1.354 -8.422 1.00 0.00 H new ATOM 431 N MET A 57 8.017 -3.382 -5.495 1.00 0.00 N ATOM 432 CA MET A 57 9.245 -4.105 -5.774 1.00 0.00 C ATOM 433 C MET A 57 8.896 -5.420 -6.450 1.00 0.00 C ATOM 434 O MET A 57 8.524 -6.398 -5.794 1.00 0.00 O ATOM 435 CB MET A 57 10.042 -4.375 -4.503 1.00 0.00 C ATOM 436 CG MET A 57 9.100 -4.631 -3.328 1.00 0.00 C ATOM 437 SD MET A 57 10.036 -5.379 -1.973 1.00 0.00 S ATOM 438 CE MET A 57 11.434 -4.230 -2.015 1.00 0.00 C ATOM 0 H MET A 57 7.293 -3.936 -5.037 1.00 0.00 H new ATOM 0 HA MET A 57 9.866 -3.492 -6.427 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.693 -5.237 -4.650 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.686 -3.524 -4.282 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.645 -3.696 -3.000 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.288 -5.291 -3.634 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.921 -4.213 -1.040 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.149 -4.554 -2.772 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.076 -3.230 -2.259 1.00 0.00 H new ATOM 448 N VAL A 58 9.011 -5.418 -7.766 1.00 0.00 N ATOM 449 CA VAL A 58 8.703 -6.603 -8.546 1.00 0.00 C ATOM 450 C VAL A 58 9.676 -7.719 -8.209 1.00 0.00 C ATOM 451 O VAL A 58 10.890 -7.550 -8.309 1.00 0.00 O ATOM 452 CB VAL A 58 8.774 -6.292 -10.038 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.259 -7.498 -10.833 1.00 0.00 C ATOM 454 CG2 VAL A 58 7.912 -5.066 -10.344 1.00 0.00 C ATOM 0 H VAL A 58 9.314 -4.613 -8.315 1.00 0.00 H new ATOM 0 HA VAL A 58 7.691 -6.924 -8.300 1.00 0.00 H new ATOM 0 HB VAL A 58 9.806 -6.086 -10.321 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.309 -7.279 -11.900 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.876 -8.369 -10.613 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.226 -7.704 -10.553 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.962 -4.843 -11.410 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.878 -5.269 -10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.281 -4.211 -9.777 1.00 0.00 H new ATOM 464 N GLU A 59 9.133 -8.861 -7.817 1.00 0.00 N ATOM 465 CA GLU A 59 9.957 -10.007 -7.481 1.00 0.00 C ATOM 466 C GLU A 59 9.946 -10.965 -8.659 1.00 0.00 C ATOM 467 O GLU A 59 10.987 -11.450 -9.102 1.00 0.00 O ATOM 468 CB GLU A 59 9.402 -10.704 -6.241 1.00 0.00 C ATOM 469 CG GLU A 59 9.462 -9.747 -5.048 1.00 0.00 C ATOM 470 CD GLU A 59 10.898 -9.289 -4.818 1.00 0.00 C ATOM 471 OE1 GLU A 59 11.751 -10.144 -4.640 1.00 0.00 O ATOM 472 OE2 GLU A 59 11.125 -8.089 -4.814 1.00 0.00 O ATOM 0 H GLU A 59 8.129 -9.017 -7.725 1.00 0.00 H new ATOM 0 HA GLU A 59 10.976 -9.684 -7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.373 -11.018 -6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.978 -11.604 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.821 -8.884 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.082 -10.242 -4.154 1.00 0.00 H new ATOM 479 N ASN A 60 8.748 -11.219 -9.162 1.00 0.00 N ATOM 480 CA ASN A 60 8.577 -12.115 -10.293 1.00 0.00 C ATOM 481 C ASN A 60 7.371 -11.680 -11.120 1.00 0.00 C ATOM 482 O ASN A 60 6.394 -11.151 -10.591 1.00 0.00 O ATOM 483 CB ASN A 60 8.373 -13.550 -9.796 1.00 0.00 C ATOM 484 CG ASN A 60 9.323 -13.831 -8.639 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.540 -13.738 -8.796 1.00 0.00 O ATOM 486 ND2 ASN A 60 8.836 -14.170 -7.477 1.00 0.00 N ATOM 0 H ASN A 60 7.881 -10.817 -8.805 1.00 0.00 H new ATOM 0 HA ASN A 60 9.471 -12.076 -10.915 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.341 -13.691 -9.475 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.553 -14.255 -10.607 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.464 -14.359 -6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.827 -14.246 -7.350 1.00 0.00 H new ATOM 493 N ALA A 61 7.457 -11.903 -12.423 1.00 0.00 N ATOM 494 CA ALA A 61 6.384 -11.533 -13.335 1.00 0.00 C ATOM 495 C ALA A 61 6.582 -12.239 -14.669 1.00 0.00 C ATOM 496 O ALA A 61 7.711 -12.540 -15.050 1.00 0.00 O ATOM 497 CB ALA A 61 6.379 -10.015 -13.543 1.00 0.00 C ATOM 0 H ALA A 61 8.261 -12.340 -12.874 1.00 0.00 H new ATOM 0 HA ALA A 61 5.428 -11.835 -12.908 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.574 -9.744 -14.226 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.225 -9.517 -12.586 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.334 -9.702 -13.965 1.00 0.00 H new ATOM 503 N ASN A 62 5.489 -12.509 -15.377 1.00 0.00 N ATOM 504 CA ASN A 62 5.586 -13.192 -16.660 1.00 0.00 C ATOM 505 C ASN A 62 4.455 -12.778 -17.592 1.00 0.00 C ATOM 506 O ASN A 62 3.330 -12.530 -17.154 1.00 0.00 O ATOM 507 CB ASN A 62 5.529 -14.702 -16.442 1.00 0.00 C ATOM 508 CG ASN A 62 5.985 -15.432 -17.701 1.00 0.00 C ATOM 509 OD1 ASN A 62 7.137 -15.305 -18.113 1.00 0.00 O ATOM 510 ND2 ASN A 62 5.142 -16.191 -18.345 1.00 0.00 N ATOM 0 H ASN A 62 4.540 -12.269 -15.089 1.00 0.00 H new ATOM 0 HA ASN A 62 6.534 -12.914 -17.121 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.164 -14.980 -15.601 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.513 -15.002 -16.186 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.438 -16.679 -19.190 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.187 -16.296 -18.003 1.00 0.00 H new ATOM 517 N TYR A 63 4.759 -12.736 -18.884 1.00 0.00 N ATOM 518 CA TYR A 63 3.774 -12.386 -19.888 1.00 0.00 C ATOM 519 C TYR A 63 3.569 -13.580 -20.821 1.00 0.00 C ATOM 520 O TYR A 63 4.516 -14.057 -21.443 1.00 0.00 O ATOM 521 CB TYR A 63 4.277 -11.179 -20.682 1.00 0.00 C ATOM 522 CG TYR A 63 3.295 -10.834 -21.773 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.119 -10.144 -21.463 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.562 -11.200 -23.096 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.211 -9.821 -22.469 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.651 -10.874 -24.106 1.00 0.00 C ATOM 527 CZ TYR A 63 1.476 -10.186 -23.790 1.00 0.00 C ATOM 528 OH TYR A 63 0.575 -9.864 -24.780 1.00 0.00 O ATOM 0 H TYR A 63 5.686 -12.942 -19.257 1.00 0.00 H new ATOM 0 HA TYR A 63 2.825 -12.133 -19.414 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.409 -10.325 -20.017 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.252 -11.399 -21.116 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.914 -9.861 -20.441 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.470 -11.733 -23.337 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.303 -9.289 -22.227 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.855 -11.154 -25.129 1.00 0.00 H new ATOM 0 HH TYR A 63 0.908 -10.188 -25.643 1.00 0.00 H new ATOM 538 N GLY A 64 2.340 -14.080 -20.899 1.00 0.00 N ATOM 539 CA GLY A 64 2.074 -15.239 -21.749 1.00 0.00 C ATOM 540 C GLY A 64 0.782 -15.933 -21.342 1.00 0.00 C ATOM 541 O GLY A 64 -0.224 -15.287 -21.053 1.00 0.00 O ATOM 0 H GLY A 64 1.530 -13.714 -20.399 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.008 -14.923 -22.790 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.905 -15.942 -21.681 1.00 0.00 H new ATOM 545 N ARG A 65 0.832 -17.258 -21.325 1.00 0.00 N ATOM 546 CA ARG A 65 -0.323 -18.059 -20.957 1.00 0.00 C ATOM 547 C ARG A 65 0.128 -19.418 -20.448 1.00 0.00 C ATOM 548 O ARG A 65 0.668 -20.232 -21.196 1.00 0.00 O ATOM 549 CB ARG A 65 -1.262 -18.225 -22.153 1.00 0.00 C ATOM 550 CG ARG A 65 -2.376 -19.204 -21.786 1.00 0.00 C ATOM 551 CD ARG A 65 -3.689 -18.752 -22.435 1.00 0.00 C ATOM 552 NE ARG A 65 -4.129 -17.498 -21.827 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.216 -17.438 -21.058 1.00 0.00 C ATOM 554 NH1 ARG A 65 -5.935 -18.509 -20.836 1.00 0.00 N ATOM 555 NH2 ARG A 65 -5.563 -16.300 -20.524 1.00 0.00 N ATOM 0 H ARG A 65 1.663 -17.800 -21.563 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.865 -17.547 -20.162 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.687 -17.261 -22.434 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.708 -18.593 -23.017 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.118 -20.208 -22.123 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.491 -19.251 -20.703 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.549 -18.619 -23.508 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.453 -19.518 -22.306 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.591 -16.648 -21.995 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.665 -19.400 -21.253 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.765 -18.453 -20.246 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.004 -15.464 -20.696 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.393 -16.246 -19.934 1.00 0.00 H new ATOM 569 N THR A 66 -0.108 -19.654 -19.165 1.00 0.00 N ATOM 570 CA THR A 66 0.262 -20.920 -18.548 1.00 0.00 C ATOM 571 C THR A 66 -0.981 -21.571 -17.976 1.00 0.00 C ATOM 572 O THR A 66 -0.907 -22.540 -17.221 1.00 0.00 O ATOM 573 CB THR A 66 1.304 -20.697 -17.446 1.00 0.00 C ATOM 574 OG1 THR A 66 0.679 -20.143 -16.297 1.00 0.00 O ATOM 575 CG2 THR A 66 2.377 -19.733 -17.955 1.00 0.00 C ATOM 0 H THR A 66 -0.552 -18.988 -18.533 1.00 0.00 H new ATOM 0 HA THR A 66 0.703 -21.574 -19.300 1.00 0.00 H new ATOM 0 HB THR A 66 1.760 -21.651 -17.181 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.310 -19.262 -16.518 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.121 -19.571 -17.175 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.861 -20.158 -18.834 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.916 -18.782 -18.219 1.00 0.00 H new ATOM 583 N ASP A 67 -2.127 -21.006 -18.343 1.00 0.00 N ATOM 584 CA ASP A 67 -3.405 -21.501 -17.873 1.00 0.00 C ATOM 585 C ASP A 67 -4.472 -21.316 -18.942 1.00 0.00 C ATOM 586 O ASP A 67 -4.181 -20.894 -20.061 1.00 0.00 O ATOM 587 CB ASP A 67 -3.824 -20.741 -16.617 1.00 0.00 C ATOM 588 CG ASP A 67 -5.025 -21.419 -15.983 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.268 -22.568 -16.304 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.687 -20.777 -15.181 1.00 0.00 O ATOM 0 H ASP A 67 -2.191 -20.202 -18.967 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.302 -22.562 -17.647 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.997 -20.708 -15.908 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.069 -19.709 -16.870 1.00 0.00 H new ATOM 595 N ASP A 68 -5.710 -21.613 -18.577 1.00 0.00 N ATOM 596 CA ASP A 68 -6.826 -21.458 -19.495 1.00 0.00 C ATOM 597 C ASP A 68 -8.065 -21.029 -18.721 1.00 0.00 C ATOM 598 O ASP A 68 -9.136 -20.838 -19.290 1.00 0.00 O ATOM 599 CB ASP A 68 -7.096 -22.765 -20.242 1.00 0.00 C ATOM 600 CG ASP A 68 -7.648 -23.819 -19.289 1.00 0.00 C ATOM 601 OD1 ASP A 68 -8.091 -23.448 -18.215 1.00 0.00 O ATOM 602 OD2 ASP A 68 -7.621 -24.984 -19.651 1.00 0.00 O ATOM 0 H ASP A 68 -5.966 -21.962 -17.653 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.575 -20.692 -20.229 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.806 -22.589 -21.050 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.175 -23.126 -20.700 1.00 0.00 H new ATOM 607 N LYS A 69 -7.900 -20.861 -17.413 1.00 0.00 N ATOM 608 CA LYS A 69 -9.005 -20.430 -16.569 1.00 0.00 C ATOM 609 C LYS A 69 -8.893 -18.952 -16.252 1.00 0.00 C ATOM 610 O LYS A 69 -9.675 -18.420 -15.462 1.00 0.00 O ATOM 611 CB LYS A 69 -9.029 -21.217 -15.259 1.00 0.00 C ATOM 612 CG LYS A 69 -9.431 -22.656 -15.546 1.00 0.00 C ATOM 613 CD LYS A 69 -9.752 -23.369 -14.227 1.00 0.00 C ATOM 614 CE LYS A 69 -10.129 -24.823 -14.518 1.00 0.00 C ATOM 615 NZ LYS A 69 -11.610 -24.945 -14.588 1.00 0.00 N ATOM 0 H LYS A 69 -7.021 -21.015 -16.920 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.928 -20.615 -17.118 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.047 -21.189 -14.786 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.732 -20.763 -14.561 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.299 -22.678 -16.204 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.624 -23.174 -16.065 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.890 -23.331 -13.560 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.572 -22.864 -13.717 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.682 -25.145 -15.458 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.736 -25.475 -13.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.868 -25.933 -14.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.026 -24.654 -13.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.973 -24.334 -15.347 1.00 0.00 H new ATOM 629 N ILE A 70 -7.914 -18.284 -16.845 1.00 0.00 N ATOM 630 CA ILE A 70 -7.728 -16.868 -16.583 1.00 0.00 C ATOM 631 C ILE A 70 -8.025 -16.053 -17.831 1.00 0.00 C ATOM 632 O ILE A 70 -7.598 -16.405 -18.935 1.00 0.00 O ATOM 633 CB ILE A 70 -6.291 -16.616 -16.144 1.00 0.00 C ATOM 634 CG1 ILE A 70 -5.909 -17.616 -15.052 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.172 -15.190 -15.602 1.00 0.00 C ATOM 636 CD1 ILE A 70 -6.815 -17.440 -13.829 1.00 0.00 C ATOM 0 H ILE A 70 -7.247 -18.693 -17.500 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.415 -16.565 -15.793 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.620 -16.739 -16.994 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.996 -18.633 -15.434 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.867 -17.471 -14.765 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.145 -15.005 -15.287 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.445 -14.480 -16.383 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.841 -15.068 -14.750 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.532 -18.158 -13.060 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.706 -16.428 -13.438 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.853 -17.608 -14.118 1.00 0.00 H new ATOM 648 N CYS A 71 -8.760 -14.965 -17.654 1.00 0.00 N ATOM 649 CA CYS A 71 -9.115 -14.113 -18.777 1.00 0.00 C ATOM 650 C CYS A 71 -9.870 -14.922 -19.819 1.00 0.00 C ATOM 651 O CYS A 71 -9.378 -15.164 -20.920 1.00 0.00 O ATOM 652 CB CYS A 71 -7.848 -13.510 -19.381 1.00 0.00 C ATOM 653 SG CYS A 71 -7.108 -12.389 -18.172 1.00 0.00 S ATOM 0 H CYS A 71 -9.119 -14.654 -16.751 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.760 -13.304 -18.432 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.144 -14.298 -19.646 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.086 -12.973 -20.299 1.00 0.00 H new ATOM 658 N ASP A 72 -11.069 -15.355 -19.441 1.00 0.00 N ATOM 659 CA ASP A 72 -11.904 -16.165 -20.319 1.00 0.00 C ATOM 660 C ASP A 72 -12.107 -15.510 -21.685 1.00 0.00 C ATOM 661 O ASP A 72 -12.619 -14.396 -21.793 1.00 0.00 O ATOM 662 CB ASP A 72 -13.263 -16.397 -19.656 1.00 0.00 C ATOM 663 CG ASP A 72 -14.105 -17.348 -20.498 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.840 -18.536 -20.455 1.00 0.00 O ATOM 665 OD2 ASP A 72 -15.005 -16.871 -21.175 1.00 0.00 O ATOM 0 H ASP A 72 -11.484 -15.157 -18.530 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.393 -17.114 -20.481 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.123 -16.811 -18.658 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.784 -15.447 -19.537 1.00 0.00 H new ATOM 670 N ALA A 73 -11.713 -16.240 -22.721 1.00 0.00 N ATOM 671 CA ALA A 73 -11.850 -15.785 -24.095 1.00 0.00 C ATOM 672 C ALA A 73 -12.214 -16.980 -24.978 1.00 0.00 C ATOM 673 O ALA A 73 -12.602 -18.033 -24.466 1.00 0.00 O ATOM 674 CB ALA A 73 -10.538 -15.149 -24.565 1.00 0.00 C ATOM 0 H ALA A 73 -11.290 -17.164 -22.630 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.638 -15.035 -24.162 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.647 -14.810 -25.595 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.297 -14.299 -23.927 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.736 -15.885 -24.508 1.00 0.00 H new ATOM 680 N ASP A 74 -12.073 -16.840 -26.292 1.00 0.00 N ATOM 681 CA ASP A 74 -12.393 -17.956 -27.175 1.00 0.00 C ATOM 682 C ASP A 74 -11.502 -19.138 -26.816 1.00 0.00 C ATOM 683 O ASP A 74 -10.308 -18.961 -26.580 1.00 0.00 O ATOM 684 CB ASP A 74 -12.184 -17.573 -28.636 1.00 0.00 C ATOM 685 CG ASP A 74 -10.941 -16.710 -28.769 1.00 0.00 C ATOM 686 OD1 ASP A 74 -10.197 -16.633 -27.807 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.748 -16.136 -29.831 1.00 0.00 O ATOM 0 H ASP A 74 -11.750 -15.993 -26.758 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.442 -18.224 -27.045 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.082 -18.471 -29.246 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.055 -17.033 -29.008 1.00 0.00 H new ATOM 692 N PRO A 75 -12.056 -20.324 -26.734 1.00 0.00 N ATOM 693 CA PRO A 75 -11.282 -21.540 -26.352 1.00 0.00 C ATOM 694 C PRO A 75 -10.034 -21.753 -27.204 1.00 0.00 C ATOM 695 O PRO A 75 -9.030 -22.270 -26.716 1.00 0.00 O ATOM 696 CB PRO A 75 -12.259 -22.710 -26.552 1.00 0.00 C ATOM 697 CG PRO A 75 -13.483 -22.152 -27.203 1.00 0.00 C ATOM 698 CD PRO A 75 -13.468 -20.638 -26.996 1.00 0.00 C ATOM 0 HA PRO A 75 -10.917 -21.448 -25.329 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.811 -23.485 -27.174 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.507 -23.172 -25.597 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.495 -22.393 -28.266 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.381 -22.589 -26.767 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.836 -20.112 -27.877 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -14.103 -20.344 -26.160 1.00 0.00 H new ATOM 706 N PHE A 76 -10.091 -21.352 -28.468 1.00 0.00 N ATOM 707 CA PHE A 76 -8.952 -21.533 -29.365 1.00 0.00 C ATOM 708 C PHE A 76 -7.742 -20.733 -28.900 1.00 0.00 C ATOM 709 O PHE A 76 -6.610 -21.200 -29.008 1.00 0.00 O ATOM 710 CB PHE A 76 -9.346 -21.115 -30.782 1.00 0.00 C ATOM 711 CG PHE A 76 -10.366 -22.093 -31.322 1.00 0.00 C ATOM 712 CD1 PHE A 76 -11.722 -21.933 -31.020 1.00 0.00 C ATOM 713 CD2 PHE A 76 -9.951 -23.159 -32.125 1.00 0.00 C ATOM 714 CE1 PHE A 76 -12.663 -22.845 -31.520 1.00 0.00 C ATOM 715 CE2 PHE A 76 -10.889 -24.067 -32.623 1.00 0.00 C ATOM 716 CZ PHE A 76 -12.244 -23.911 -32.321 1.00 0.00 C ATOM 0 H PHE A 76 -10.903 -20.904 -28.893 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.674 -22.587 -29.356 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.759 -20.106 -30.775 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.467 -21.095 -31.426 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -12.044 -21.108 -30.402 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.904 -23.281 -32.361 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.710 -22.724 -31.286 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.566 -24.891 -33.242 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.968 -24.614 -32.706 1.00 0.00 H new ATOM 726 N GLN A 77 -7.976 -19.538 -28.390 1.00 0.00 N ATOM 727 CA GLN A 77 -6.873 -18.701 -27.924 1.00 0.00 C ATOM 728 C GLN A 77 -6.511 -19.051 -26.490 1.00 0.00 C ATOM 729 O GLN A 77 -5.595 -18.472 -25.908 1.00 0.00 O ATOM 730 CB GLN A 77 -7.265 -17.232 -28.017 1.00 0.00 C ATOM 731 CG GLN A 77 -7.697 -16.922 -29.445 1.00 0.00 C ATOM 732 CD GLN A 77 -7.798 -15.417 -29.640 1.00 0.00 C ATOM 733 OE1 GLN A 77 -8.894 -14.803 -29.307 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -6.845 -14.783 -30.098 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.903 -19.125 -28.286 1.00 0.00 H new ATOM 0 HA GLN A 77 -6.004 -18.882 -28.557 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.077 -17.015 -27.323 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.424 -16.599 -27.733 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.980 -17.342 -30.150 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.659 -17.390 -29.653 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.987 -15.269 -30.358 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.915 -13.772 -30.217 1.00 0.00 H new ATOM 743 N MET A 78 -7.246 -20.005 -25.930 1.00 0.00 N ATOM 744 CA MET A 78 -7.014 -20.438 -24.559 1.00 0.00 C ATOM 745 C MET A 78 -6.548 -21.892 -24.511 1.00 0.00 C ATOM 746 O MET A 78 -6.288 -22.431 -23.436 1.00 0.00 O ATOM 747 CB MET A 78 -8.292 -20.257 -23.746 1.00 0.00 C ATOM 748 CG MET A 78 -8.536 -18.764 -23.536 1.00 0.00 C ATOM 749 SD MET A 78 -9.950 -18.513 -22.428 1.00 0.00 S ATOM 750 CE MET A 78 -9.077 -18.730 -20.856 1.00 0.00 C ATOM 0 H MET A 78 -8.006 -20.492 -26.404 1.00 0.00 H new ATOM 0 HA MET A 78 -6.222 -19.825 -24.128 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.137 -20.708 -24.266 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.203 -20.763 -22.785 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.646 -18.298 -23.113 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.725 -18.280 -24.494 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.798 -18.932 -20.064 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.383 -19.567 -20.937 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.523 -17.822 -20.619 1.00 0.00 H new ATOM 760 N GLU A 79 -6.454 -22.525 -25.678 1.00 0.00 N ATOM 761 CA GLU A 79 -6.024 -23.930 -25.746 1.00 0.00 C ATOM 762 C GLU A 79 -4.600 -24.128 -25.226 1.00 0.00 C ATOM 763 O GLU A 79 -4.344 -25.062 -24.465 1.00 0.00 O ATOM 764 CB GLU A 79 -6.085 -24.444 -27.188 1.00 0.00 C ATOM 765 CG GLU A 79 -7.513 -24.841 -27.549 1.00 0.00 C ATOM 766 CD GLU A 79 -7.564 -25.334 -28.989 1.00 0.00 C ATOM 767 OE1 GLU A 79 -6.528 -25.324 -29.633 1.00 0.00 O ATOM 768 OE2 GLU A 79 -8.637 -25.713 -29.430 1.00 0.00 O ATOM 0 H GLU A 79 -6.665 -22.100 -26.581 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.710 -24.491 -25.111 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.731 -23.672 -27.872 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.422 -25.301 -27.304 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.864 -25.622 -26.875 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.180 -23.988 -27.423 1.00 0.00 H new ATOM 775 N ASN A 80 -3.664 -23.296 -25.666 1.00 0.00 N ATOM 776 CA ASN A 80 -2.265 -23.441 -25.259 1.00 0.00 C ATOM 777 C ASN A 80 -1.998 -22.838 -23.885 1.00 0.00 C ATOM 778 O ASN A 80 -2.146 -21.635 -23.685 1.00 0.00 O ATOM 779 CB ASN A 80 -1.381 -22.738 -26.290 1.00 0.00 C ATOM 780 CG ASN A 80 0.093 -22.932 -25.948 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.573 -24.062 -25.867 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.844 -21.886 -25.738 1.00 0.00 N ATOM 0 H ASN A 80 -3.843 -22.518 -26.301 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.039 -24.506 -25.203 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.585 -23.135 -27.284 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.618 -21.674 -26.316 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.830 -22.004 -25.506 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.445 -20.950 -25.805 1.00 0.00 H new ATOM 789 N VAL A 81 -1.593 -23.686 -22.950 1.00 0.00 N ATOM 790 CA VAL A 81 -1.288 -23.236 -21.599 1.00 0.00 C ATOM 791 C VAL A 81 0.219 -23.307 -21.347 1.00 0.00 C ATOM 792 O VAL A 81 0.661 -23.577 -20.231 1.00 0.00 O ATOM 793 CB VAL A 81 -2.019 -24.111 -20.582 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.512 -24.143 -20.925 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.450 -25.527 -20.646 1.00 0.00 C ATOM 0 H VAL A 81 -1.468 -24.687 -23.101 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.619 -22.203 -21.491 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.886 -23.707 -19.579 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.038 -24.766 -20.202 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.915 -23.131 -20.892 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.647 -24.555 -21.925 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.966 -26.159 -19.923 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.592 -25.931 -21.648 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.386 -25.502 -20.412 1.00 0.00 H new ATOM 805 N GLN A 82 1.000 -23.068 -22.398 1.00 0.00 N ATOM 806 CA GLN A 82 2.458 -23.112 -22.299 1.00 0.00 C ATOM 807 C GLN A 82 3.087 -21.990 -23.109 1.00 0.00 C ATOM 808 O GLN A 82 3.470 -22.185 -24.263 1.00 0.00 O ATOM 809 CB GLN A 82 2.977 -24.442 -22.829 1.00 0.00 C ATOM 810 CG GLN A 82 2.461 -25.565 -21.944 1.00 0.00 C ATOM 811 CD GLN A 82 2.994 -25.386 -20.531 1.00 0.00 C ATOM 812 OE1 GLN A 82 4.119 -24.924 -20.348 1.00 0.00 O ATOM 813 NE2 GLN A 82 2.252 -25.732 -19.515 1.00 0.00 N ATOM 0 H GLN A 82 0.648 -22.842 -23.328 1.00 0.00 H new ATOM 0 HA GLN A 82 2.727 -22.996 -21.249 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.647 -24.592 -23.857 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.067 -24.443 -22.841 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.371 -25.563 -21.935 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.775 -26.530 -22.343 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.320 -26.115 -19.671 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.604 -25.620 -18.564 1.00 0.00 H new ATOM 822 N CYS A 83 3.185 -20.816 -22.509 1.00 0.00 N ATOM 823 CA CYS A 83 3.762 -19.666 -23.179 1.00 0.00 C ATOM 824 C CYS A 83 4.474 -18.798 -22.146 1.00 0.00 C ATOM 825 O CYS A 83 3.834 -18.293 -21.226 1.00 0.00 O ATOM 826 CB CYS A 83 2.633 -18.886 -23.846 1.00 0.00 C ATOM 827 SG CYS A 83 3.296 -17.453 -24.708 1.00 0.00 S ATOM 0 H CYS A 83 2.871 -20.635 -21.556 1.00 0.00 H new ATOM 0 HA CYS A 83 4.484 -19.975 -23.934 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.102 -19.529 -24.548 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.909 -18.566 -23.096 1.00 0.00 H new ATOM 832 N TYR A 84 5.791 -18.633 -22.274 1.00 0.00 N ATOM 833 CA TYR A 84 6.534 -17.831 -21.299 1.00 0.00 C ATOM 834 C TYR A 84 7.391 -16.758 -21.964 1.00 0.00 C ATOM 835 O TYR A 84 7.796 -16.895 -23.118 1.00 0.00 O ATOM 836 CB TYR A 84 7.454 -18.735 -20.482 1.00 0.00 C ATOM 837 CG TYR A 84 6.638 -19.731 -19.698 1.00 0.00 C ATOM 838 CD1 TYR A 84 6.271 -20.953 -20.280 1.00 0.00 C ATOM 839 CD2 TYR A 84 6.255 -19.436 -18.384 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.522 -21.878 -19.547 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.507 -20.361 -17.652 1.00 0.00 C ATOM 842 CZ TYR A 84 5.141 -21.583 -18.231 1.00 0.00 C ATOM 843 OH TYR A 84 4.405 -22.496 -17.504 1.00 0.00 O ATOM 0 H TYR A 84 6.355 -19.033 -23.024 1.00 0.00 H new ATOM 0 HA TYR A 84 5.796 -17.341 -20.663 1.00 0.00 H new ATOM 0 HB2 TYR A 84 8.144 -19.259 -21.144 1.00 0.00 H new ATOM 0 HB3 TYR A 84 8.059 -18.134 -19.803 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.567 -21.179 -21.294 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.538 -18.494 -17.937 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.237 -22.819 -19.994 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.211 -20.134 -16.639 1.00 0.00 H new ATOM 0 HH TYR A 84 4.226 -22.135 -16.611 1.00 0.00 H new ATOM 853 N LEU A 85 7.688 -15.701 -21.209 1.00 0.00 N ATOM 854 CA LEU A 85 8.530 -14.612 -21.696 1.00 0.00 C ATOM 855 C LEU A 85 9.308 -14.020 -20.517 1.00 0.00 C ATOM 856 O LEU A 85 8.883 -13.038 -19.914 1.00 0.00 O ATOM 857 CB LEU A 85 7.672 -13.527 -22.359 1.00 0.00 C ATOM 858 CG LEU A 85 8.577 -12.390 -22.840 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.319 -12.823 -24.108 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.724 -11.159 -23.142 1.00 0.00 C ATOM 0 H LEU A 85 7.355 -15.577 -20.253 1.00 0.00 H new ATOM 0 HA LEU A 85 9.227 -14.998 -22.440 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.119 -13.947 -23.199 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.936 -13.146 -21.651 1.00 0.00 H new ATOM 0 HG LEU A 85 9.303 -12.150 -22.063 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.962 -12.012 -24.448 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.927 -13.702 -23.892 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.597 -13.064 -24.888 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.365 -10.347 -23.485 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.998 -11.401 -23.919 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.199 -10.850 -22.238 1.00 0.00 H new ATOM 872 N PRO A 86 10.411 -14.617 -20.160 1.00 0.00 N ATOM 873 CA PRO A 86 11.245 -14.158 -18.999 1.00 0.00 C ATOM 874 C PRO A 86 11.510 -12.649 -18.966 1.00 0.00 C ATOM 875 O PRO A 86 11.407 -12.029 -17.905 1.00 0.00 O ATOM 876 CB PRO A 86 12.538 -14.951 -19.176 1.00 0.00 C ATOM 877 CG PRO A 86 12.112 -16.211 -19.849 1.00 0.00 C ATOM 878 CD PRO A 86 10.995 -15.802 -20.812 1.00 0.00 C ATOM 0 HA PRO A 86 10.737 -14.333 -18.050 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.261 -14.403 -19.780 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.014 -15.154 -18.217 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.943 -16.670 -20.384 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.757 -16.943 -19.124 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.383 -15.567 -21.803 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.260 -16.597 -20.938 1.00 0.00 H new ATOM 886 N ASP A 87 11.872 -12.059 -20.102 1.00 0.00 N ATOM 887 CA ASP A 87 12.171 -10.629 -20.137 1.00 0.00 C ATOM 888 C ASP A 87 10.991 -9.785 -19.641 1.00 0.00 C ATOM 889 O ASP A 87 11.173 -8.639 -19.242 1.00 0.00 O ATOM 890 CB ASP A 87 12.562 -10.193 -21.560 1.00 0.00 C ATOM 891 CG ASP A 87 13.956 -10.711 -21.898 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.502 -11.447 -21.092 1.00 0.00 O ATOM 893 OD2 ASP A 87 14.454 -10.371 -22.958 1.00 0.00 O ATOM 0 H ASP A 87 11.965 -12.539 -20.997 1.00 0.00 H new ATOM 0 HA ASP A 87 13.011 -10.460 -19.463 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.838 -10.577 -22.279 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.541 -9.106 -21.635 1.00 0.00 H new ATOM 898 N ALA A 88 9.786 -10.345 -19.661 1.00 0.00 N ATOM 899 CA ALA A 88 8.610 -9.606 -19.198 1.00 0.00 C ATOM 900 C ALA A 88 8.810 -9.105 -17.766 1.00 0.00 C ATOM 901 O ALA A 88 8.349 -8.023 -17.403 1.00 0.00 O ATOM 902 CB ALA A 88 7.379 -10.512 -19.240 1.00 0.00 C ATOM 0 H ALA A 88 9.596 -11.293 -19.987 1.00 0.00 H new ATOM 0 HA ALA A 88 8.467 -8.749 -19.857 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.507 -9.957 -18.894 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.212 -10.851 -20.262 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.540 -11.375 -18.593 1.00 0.00 H new ATOM 908 N PHE A 89 9.518 -9.895 -16.962 1.00 0.00 N ATOM 909 CA PHE A 89 9.793 -9.534 -15.577 1.00 0.00 C ATOM 910 C PHE A 89 10.680 -8.295 -15.480 1.00 0.00 C ATOM 911 O PHE A 89 10.436 -7.411 -14.657 1.00 0.00 O ATOM 912 CB PHE A 89 10.479 -10.710 -14.876 1.00 0.00 C ATOM 913 CG PHE A 89 11.183 -10.233 -13.629 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.445 -9.906 -12.484 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.581 -10.132 -13.613 1.00 0.00 C ATOM 916 CE1 PHE A 89 11.106 -9.473 -11.326 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.239 -9.703 -12.452 1.00 0.00 C ATOM 918 CZ PHE A 89 12.502 -9.373 -11.310 1.00 0.00 C ATOM 0 H PHE A 89 9.912 -10.791 -17.249 1.00 0.00 H new ATOM 0 HA PHE A 89 8.844 -9.303 -15.093 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.741 -11.470 -14.618 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.196 -11.178 -15.551 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.368 -9.987 -12.493 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.151 -10.385 -14.495 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.537 -9.216 -10.445 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.316 -9.627 -12.439 1.00 0.00 H new ATOM 0 HZ PHE A 89 13.010 -9.041 -10.416 1.00 0.00 H new ATOM 928 N LYS A 90 11.713 -8.244 -16.310 1.00 0.00 N ATOM 929 CA LYS A 90 12.632 -7.113 -16.282 1.00 0.00 C ATOM 930 C LYS A 90 11.911 -5.839 -16.707 1.00 0.00 C ATOM 931 O LYS A 90 12.130 -4.772 -16.133 1.00 0.00 O ATOM 932 CB LYS A 90 13.835 -7.369 -17.199 1.00 0.00 C ATOM 933 CG LYS A 90 13.583 -6.783 -18.592 1.00 0.00 C ATOM 934 CD LYS A 90 14.584 -7.375 -19.583 1.00 0.00 C ATOM 935 CE LYS A 90 15.991 -6.870 -19.266 1.00 0.00 C ATOM 936 NZ LYS A 90 16.614 -7.736 -18.219 1.00 0.00 N ATOM 0 H LYS A 90 11.934 -8.960 -17.001 1.00 0.00 H new ATOM 0 HA LYS A 90 12.996 -6.991 -15.262 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.731 -6.922 -16.767 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.019 -8.441 -17.277 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.565 -7.003 -18.912 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.681 -5.698 -18.565 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.559 -8.464 -19.532 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.309 -7.097 -20.601 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.602 -6.877 -20.168 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.948 -5.838 -18.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.708 -7.198 -17.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.014 -8.569 -18.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.555 -8.044 -18.538 1.00 0.00 H new ATOM 950 N ILE A 91 11.046 -5.957 -17.713 1.00 0.00 N ATOM 951 CA ILE A 91 10.294 -4.808 -18.204 1.00 0.00 C ATOM 952 C ILE A 91 9.461 -4.187 -17.092 1.00 0.00 C ATOM 953 O ILE A 91 9.506 -2.978 -16.866 1.00 0.00 O ATOM 954 CB ILE A 91 9.352 -5.231 -19.333 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.153 -5.717 -20.543 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.488 -4.039 -19.736 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.188 -6.197 -21.635 1.00 0.00 C ATOM 0 H ILE A 91 10.851 -6.832 -18.200 1.00 0.00 H new ATOM 0 HA ILE A 91 11.015 -4.077 -18.571 1.00 0.00 H new ATOM 0 HB ILE A 91 8.720 -6.047 -18.983 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.780 -4.911 -20.925 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.820 -6.528 -20.250 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.814 -4.334 -20.540 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.905 -3.706 -18.878 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.127 -3.225 -20.078 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.758 -6.543 -22.497 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.580 -7.015 -21.249 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.540 -5.374 -21.935 1.00 0.00 H new ATOM 969 N MET A 92 8.685 -5.024 -16.409 1.00 0.00 N ATOM 970 CA MET A 92 7.820 -4.560 -15.341 1.00 0.00 C ATOM 971 C MET A 92 8.633 -4.044 -14.166 1.00 0.00 C ATOM 972 O MET A 92 8.268 -3.055 -13.533 1.00 0.00 O ATOM 973 CB MET A 92 6.947 -5.719 -14.867 1.00 0.00 C ATOM 974 CG MET A 92 6.030 -6.171 -15.998 1.00 0.00 C ATOM 975 SD MET A 92 5.023 -4.774 -16.557 1.00 0.00 S ATOM 976 CE MET A 92 4.149 -4.470 -15.003 1.00 0.00 C ATOM 0 H MET A 92 8.641 -6.029 -16.581 1.00 0.00 H new ATOM 0 HA MET A 92 7.204 -3.746 -15.724 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.574 -6.549 -14.541 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.353 -5.411 -14.006 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.622 -6.560 -16.826 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.387 -6.982 -15.657 1.00 0.00 H new ATOM 0 HE1 MET A 92 3.125 -4.163 -15.216 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.138 -5.383 -14.407 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.657 -3.681 -14.448 1.00 0.00 H new ATOM 986 N SER A 93 9.731 -4.722 -13.872 1.00 0.00 N ATOM 987 CA SER A 93 10.575 -4.325 -12.762 1.00 0.00 C ATOM 988 C SER A 93 11.087 -2.901 -12.952 1.00 0.00 C ATOM 989 O SER A 93 11.021 -2.082 -12.042 1.00 0.00 O ATOM 990 CB SER A 93 11.759 -5.279 -12.666 1.00 0.00 C ATOM 991 OG SER A 93 11.296 -6.625 -12.740 1.00 0.00 O ATOM 0 H SER A 93 10.055 -5.543 -14.383 1.00 0.00 H new ATOM 0 HA SER A 93 9.987 -4.362 -11.845 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.464 -5.082 -13.473 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.293 -5.119 -11.730 1.00 0.00 H new ATOM 0 HG SER A 93 11.240 -6.900 -13.679 1.00 0.00 H new ATOM 997 N GLN A 94 11.553 -2.601 -14.152 1.00 0.00 N ATOM 998 CA GLN A 94 12.036 -1.261 -14.447 1.00 0.00 C ATOM 999 C GLN A 94 10.899 -0.253 -14.365 1.00 0.00 C ATOM 1000 O GLN A 94 11.087 0.879 -13.921 1.00 0.00 O ATOM 1001 CB GLN A 94 12.643 -1.217 -15.849 1.00 0.00 C ATOM 1002 CG GLN A 94 13.954 -2.006 -15.882 1.00 0.00 C ATOM 1003 CD GLN A 94 14.549 -1.947 -17.285 1.00 0.00 C ATOM 1004 OE1 GLN A 94 14.005 -1.277 -18.161 1.00 0.00 O ATOM 1005 NE2 GLN A 94 15.635 -2.615 -17.555 1.00 0.00 N ATOM 0 H GLN A 94 11.608 -3.258 -14.931 1.00 0.00 H new ATOM 0 HA GLN A 94 12.797 -1.004 -13.710 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.941 -1.634 -16.571 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.825 -0.183 -16.142 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.658 -1.593 -15.160 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.774 -3.042 -15.595 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.086 -3.171 -16.828 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.034 -2.582 -18.493 1.00 0.00 H new ATOM 1014 N ARG A 95 9.732 -0.677 -14.825 1.00 0.00 N ATOM 1015 CA ARG A 95 8.550 0.176 -14.850 1.00 0.00 C ATOM 1016 C ARG A 95 7.926 0.411 -13.471 1.00 0.00 C ATOM 1017 O ARG A 95 7.361 1.478 -13.226 1.00 0.00 O ATOM 1018 CB ARG A 95 7.520 -0.447 -15.797 1.00 0.00 C ATOM 1019 CG ARG A 95 8.049 -0.343 -17.230 1.00 0.00 C ATOM 1020 CD ARG A 95 7.030 -0.910 -18.216 1.00 0.00 C ATOM 1021 NE ARG A 95 7.644 -1.069 -19.531 1.00 0.00 N ATOM 1022 CZ ARG A 95 7.766 -0.047 -20.373 1.00 0.00 C ATOM 1023 NH1 ARG A 95 7.275 1.124 -20.065 1.00 0.00 N ATOM 1024 NH2 ARG A 95 8.368 -0.220 -21.519 1.00 0.00 N ATOM 0 H ARG A 95 9.576 -1.617 -15.190 1.00 0.00 H new ATOM 0 HA ARG A 95 8.865 1.159 -15.201 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.345 -1.490 -15.533 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.564 0.069 -15.708 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.258 0.699 -17.472 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.990 -0.886 -17.317 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.662 -1.872 -17.859 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.169 -0.245 -18.285 1.00 0.00 H new ATOM 0 HE ARG A 95 7.988 -1.987 -19.811 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.795 1.258 -19.175 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.372 1.904 -20.715 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.742 -1.136 -21.765 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.464 0.561 -22.168 1.00 0.00 H new ATOM 1038 N CYS A 96 7.972 -0.581 -12.592 1.00 0.00 N ATOM 1039 CA CYS A 96 7.339 -0.426 -11.279 1.00 0.00 C ATOM 1040 C CYS A 96 8.331 -0.382 -10.111 1.00 0.00 C ATOM 1041 O CYS A 96 7.961 0.024 -9.010 1.00 0.00 O ATOM 1042 CB CYS A 96 6.344 -1.567 -11.061 1.00 0.00 C ATOM 1043 SG CYS A 96 5.152 -1.593 -12.422 1.00 0.00 S ATOM 0 H CYS A 96 8.426 -1.480 -12.752 1.00 0.00 H new ATOM 0 HA CYS A 96 6.836 0.541 -11.289 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.872 -2.519 -11.007 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.825 -1.436 -10.111 1.00 0.00 H new ATOM 1048 N ASN A 97 9.568 -0.810 -10.320 1.00 0.00 N ATOM 1049 CA ASN A 97 10.541 -0.810 -9.225 1.00 0.00 C ATOM 1050 C ASN A 97 10.747 0.592 -8.648 1.00 0.00 C ATOM 1051 O ASN A 97 10.945 1.560 -9.381 1.00 0.00 O ATOM 1052 CB ASN A 97 11.893 -1.353 -9.698 1.00 0.00 C ATOM 1053 CG ASN A 97 11.810 -2.861 -9.908 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.641 -3.443 -9.914 1.00 0.00 O flip ATOM 1055 ND2 ASN A 97 12.837 -3.524 -10.084 1.00 0.00 N flip ATOM 0 H ASN A 97 9.921 -1.155 -11.213 1.00 0.00 H new ATOM 0 HA ASN A 97 10.136 -1.455 -8.445 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.184 -0.864 -10.628 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.663 -1.123 -8.962 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.748 -3.065 -10.078 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.774 -4.531 -10.235 1.00 0.00 H new ATOM 1062 N ASN A 98 10.729 0.672 -7.319 1.00 0.00 N ATOM 1063 CA ASN A 98 10.943 1.933 -6.606 1.00 0.00 C ATOM 1064 C ASN A 98 9.831 2.955 -6.846 1.00 0.00 C ATOM 1065 O ASN A 98 9.985 4.128 -6.511 1.00 0.00 O ATOM 1066 CB ASN A 98 12.293 2.533 -6.990 1.00 0.00 C ATOM 1067 CG ASN A 98 13.406 1.672 -6.414 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.154 0.600 -5.864 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.635 2.155 -6.523 1.00 0.00 N ATOM 0 H ASN A 98 10.567 -0.129 -6.708 1.00 0.00 H new ATOM 0 HA ASN A 98 10.930 1.695 -5.542 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.384 2.588 -8.075 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.372 3.552 -6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.792 3.049 -6.988 1.00 0.00 H new ATOM 1075 N ARG A 99 8.711 2.518 -7.410 1.00 0.00 N ATOM 1076 CA ARG A 99 7.599 3.430 -7.651 1.00 0.00 C ATOM 1077 C ARG A 99 6.399 3.023 -6.818 1.00 0.00 C ATOM 1078 O ARG A 99 6.187 1.843 -6.556 1.00 0.00 O ATOM 1079 CB ARG A 99 7.218 3.445 -9.129 1.00 0.00 C ATOM 1080 CG ARG A 99 8.300 4.190 -9.905 1.00 0.00 C ATOM 1081 CD ARG A 99 7.983 4.162 -11.400 1.00 0.00 C ATOM 1082 NE ARG A 99 6.835 5.010 -11.699 1.00 0.00 N ATOM 1083 CZ ARG A 99 6.581 5.398 -12.946 1.00 0.00 C ATOM 1084 NH1 ARG A 99 7.369 5.023 -13.916 1.00 0.00 N ATOM 1085 NH2 ARG A 99 5.550 6.155 -13.198 1.00 0.00 N ATOM 0 H ARG A 99 8.549 1.555 -7.705 1.00 0.00 H new ATOM 0 HA ARG A 99 7.915 4.433 -7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.118 2.426 -9.504 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.252 3.931 -9.265 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.364 5.221 -9.557 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.272 3.731 -9.722 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.850 4.501 -11.967 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.777 3.139 -11.714 1.00 0.00 H new ATOM 0 HE ARG A 99 6.219 5.309 -10.943 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.178 4.434 -13.717 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.176 5.319 -14.873 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.937 6.451 -12.439 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.357 6.452 -14.155 1.00 0.00 H new ATOM 1099 N THR A 100 5.621 4.011 -6.398 1.00 0.00 N ATOM 1100 CA THR A 100 4.441 3.743 -5.592 1.00 0.00 C ATOM 1101 C THR A 100 3.335 3.153 -6.460 1.00 0.00 C ATOM 1102 O THR A 100 2.508 2.372 -5.989 1.00 0.00 O ATOM 1103 CB THR A 100 3.960 5.039 -4.940 1.00 0.00 C ATOM 1104 OG1 THR A 100 5.030 5.618 -4.204 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.793 4.733 -3.998 1.00 0.00 C ATOM 0 H THR A 100 5.785 4.997 -6.601 1.00 0.00 H new ATOM 0 HA THR A 100 4.696 3.023 -4.814 1.00 0.00 H new ATOM 0 HB THR A 100 3.628 5.736 -5.709 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.726 6.450 -3.785 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.449 5.657 -3.533 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.976 4.286 -4.564 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.122 4.038 -3.225 1.00 0.00 H new ATOM 1113 N GLN A 101 3.328 3.540 -7.732 1.00 0.00 N ATOM 1114 CA GLN A 101 2.323 3.048 -8.667 1.00 0.00 C ATOM 1115 C GLN A 101 2.856 3.061 -10.093 1.00 0.00 C ATOM 1116 O GLN A 101 3.744 3.845 -10.422 1.00 0.00 O ATOM 1117 CB GLN A 101 1.067 3.911 -8.582 1.00 0.00 C ATOM 1118 CG GLN A 101 1.381 5.337 -9.028 1.00 0.00 C ATOM 1119 CD GLN A 101 0.291 5.819 -9.980 1.00 0.00 C ATOM 1120 OE1 GLN A 101 -0.421 6.777 -9.679 1.00 0.00 O ATOM 1121 NE2 GLN A 101 0.118 5.198 -11.115 1.00 0.00 N ATOM 0 H GLN A 101 4.003 4.189 -8.137 1.00 0.00 H new ATOM 0 HA GLN A 101 2.079 2.021 -8.397 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.283 3.489 -9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.688 3.916 -7.560 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.441 5.996 -8.162 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.352 5.370 -9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.712 4.405 -11.358 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.611 5.506 -11.759 1.00 0.00 H new ATOM 1130 N CYS A 102 2.319 2.177 -10.935 1.00 0.00 N ATOM 1131 CA CYS A 102 2.769 2.099 -12.321 1.00 0.00 C ATOM 1132 C CYS A 102 1.683 1.520 -13.236 1.00 0.00 C ATOM 1133 O CYS A 102 0.966 0.593 -12.856 1.00 0.00 O ATOM 1134 CB CYS A 102 4.021 1.222 -12.391 1.00 0.00 C ATOM 1135 SG CYS A 102 3.626 -0.433 -11.779 1.00 0.00 S ATOM 0 H CYS A 102 1.584 1.516 -10.685 1.00 0.00 H new ATOM 0 HA CYS A 102 2.992 3.108 -12.667 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.383 1.166 -13.418 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.821 1.661 -11.795 1.00 0.00 H new ATOM 1140 N VAL A 103 1.578 2.067 -14.447 1.00 0.00 N ATOM 1141 CA VAL A 103 0.590 1.588 -15.420 1.00 0.00 C ATOM 1142 C VAL A 103 1.309 1.132 -16.688 1.00 0.00 C ATOM 1143 O VAL A 103 2.130 1.866 -17.240 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.411 2.708 -15.737 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.542 2.182 -16.635 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -1.011 3.220 -14.425 1.00 0.00 C ATOM 0 H VAL A 103 2.159 2.837 -14.778 1.00 0.00 H new ATOM 0 HA VAL A 103 0.041 0.743 -15.004 1.00 0.00 H new ATOM 0 HB VAL A 103 0.108 3.512 -16.259 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.242 2.990 -16.849 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.121 1.809 -17.569 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.066 1.374 -16.125 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.724 4.017 -14.637 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.521 2.403 -13.915 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.216 3.606 -13.787 1.00 0.00 H new ATOM 1156 N VAL A 104 1.024 -0.091 -17.131 1.00 0.00 N ATOM 1157 CA VAL A 104 1.680 -0.637 -18.317 1.00 0.00 C ATOM 1158 C VAL A 104 0.692 -1.392 -19.186 1.00 0.00 C ATOM 1159 O VAL A 104 -0.242 -2.015 -18.681 1.00 0.00 O ATOM 1160 CB VAL A 104 2.810 -1.578 -17.896 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.508 -2.135 -19.141 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.818 -0.799 -17.052 1.00 0.00 C ATOM 0 H VAL A 104 0.350 -0.717 -16.691 1.00 0.00 H new ATOM 0 HA VAL A 104 2.086 0.193 -18.895 1.00 0.00 H new ATOM 0 HB VAL A 104 2.401 -2.405 -17.315 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.313 -2.805 -18.838 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.787 -2.684 -19.747 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.921 -1.313 -19.725 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.627 -1.463 -16.747 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.225 0.024 -17.639 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.321 -0.402 -16.167 1.00 0.00 H new ATOM 1172 N VAL A 105 0.906 -1.345 -20.494 1.00 0.00 N ATOM 1173 CA VAL A 105 0.017 -2.048 -21.405 1.00 0.00 C ATOM 1174 C VAL A 105 0.356 -3.529 -21.431 1.00 0.00 C ATOM 1175 O VAL A 105 1.440 -3.913 -21.867 1.00 0.00 O ATOM 1176 CB VAL A 105 0.125 -1.472 -22.815 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -0.770 -2.283 -23.756 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.346 -0.015 -22.804 1.00 0.00 C ATOM 0 H VAL A 105 1.671 -0.839 -20.940 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.006 -1.919 -21.050 1.00 0.00 H new ATOM 0 HB VAL A 105 1.160 -1.520 -23.155 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.698 -1.878 -24.765 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.446 -3.324 -23.759 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.804 -2.226 -23.414 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.270 0.399 -23.809 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.383 0.030 -22.470 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.279 0.564 -22.125 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.570 -4.357 -20.953 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.338 -5.791 -20.923 1.00 0.00 C ATOM 1190 C ALA A 106 -0.337 -6.370 -22.333 1.00 0.00 C ATOM 1191 O ALA A 106 -0.867 -7.456 -22.558 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.423 -6.484 -20.091 1.00 0.00 C ATOM 0 H ALA A 106 -1.475 -4.061 -20.587 1.00 0.00 H new ATOM 0 HA ALA A 106 0.638 -5.965 -20.469 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.239 -7.558 -20.076 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.402 -6.098 -19.072 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.400 -6.290 -20.533 1.00 0.00 H new ATOM 1198 N GLY A 107 0.247 -5.644 -23.288 1.00 0.00 N ATOM 1199 CA GLY A 107 0.284 -6.123 -24.665 1.00 0.00 C ATOM 1200 C GLY A 107 1.036 -5.146 -25.578 1.00 0.00 C ATOM 1201 O GLY A 107 2.191 -4.806 -25.322 1.00 0.00 O ATOM 0 H GLY A 107 0.692 -4.739 -23.135 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.767 -7.100 -24.699 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.733 -6.257 -25.033 1.00 0.00 H new ATOM 1205 N SER A 108 0.369 -4.717 -26.651 1.00 0.00 N ATOM 1206 CA SER A 108 0.961 -3.794 -27.622 1.00 0.00 C ATOM 1207 C SER A 108 2.470 -3.939 -27.695 1.00 0.00 C ATOM 1208 O SER A 108 3.032 -4.978 -27.348 1.00 0.00 O ATOM 1209 CB SER A 108 0.629 -2.350 -27.259 1.00 0.00 C ATOM 1210 OG SER A 108 0.349 -1.621 -28.447 1.00 0.00 O ATOM 0 H SER A 108 -0.587 -4.996 -26.871 1.00 0.00 H new ATOM 0 HA SER A 108 0.537 -4.046 -28.594 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.230 -2.319 -26.589 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.465 -1.895 -26.727 1.00 0.00 H new ATOM 0 HG SER A 108 0.133 -0.693 -28.218 1.00 0.00 H new ATOM 1216 N ASP A 109 3.112 -2.872 -28.162 1.00 0.00 N ATOM 1217 CA ASP A 109 4.559 -2.850 -28.299 1.00 0.00 C ATOM 1218 C ASP A 109 5.220 -2.908 -26.937 1.00 0.00 C ATOM 1219 O ASP A 109 6.445 -2.912 -26.835 1.00 0.00 O ATOM 1220 CB ASP A 109 4.995 -1.569 -29.008 1.00 0.00 C ATOM 1221 CG ASP A 109 4.584 -1.614 -30.471 1.00 0.00 C ATOM 1222 OD1 ASP A 109 4.327 -2.701 -30.962 1.00 0.00 O ATOM 1223 OD2 ASP A 109 4.538 -0.560 -31.082 1.00 0.00 O ATOM 0 H ASP A 109 2.649 -2.011 -28.452 1.00 0.00 H new ATOM 0 HA ASP A 109 4.862 -3.718 -28.884 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.544 -0.704 -28.522 1.00 0.00 H new ATOM 0 HB3 ASP A 109 6.076 -1.451 -28.930 1.00 0.00 H new ATOM 1228 N ALA A 110 4.411 -2.936 -25.883 1.00 0.00 N ATOM 1229 CA ALA A 110 4.966 -2.974 -24.543 1.00 0.00 C ATOM 1230 C ALA A 110 5.371 -4.401 -24.179 1.00 0.00 C ATOM 1231 O ALA A 110 6.116 -4.617 -23.224 1.00 0.00 O ATOM 1232 CB ALA A 110 3.945 -2.444 -23.535 1.00 0.00 C ATOM 0 H ALA A 110 3.392 -2.933 -25.931 1.00 0.00 H new ATOM 0 HA ALA A 110 5.852 -2.340 -24.513 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.372 -2.477 -22.533 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.687 -1.415 -23.786 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.047 -3.062 -23.567 1.00 0.00 H new ATOM 1238 N PHE A 111 4.894 -5.374 -24.953 1.00 0.00 N ATOM 1239 CA PHE A 111 5.234 -6.772 -24.706 1.00 0.00 C ATOM 1240 C PHE A 111 5.354 -7.529 -26.030 1.00 0.00 C ATOM 1241 O PHE A 111 4.423 -7.511 -26.836 1.00 0.00 O ATOM 1242 CB PHE A 111 4.147 -7.450 -23.878 1.00 0.00 C ATOM 1243 CG PHE A 111 4.254 -7.038 -22.433 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.135 -7.709 -21.586 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.461 -5.999 -21.936 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.225 -7.345 -20.237 1.00 0.00 C ATOM 1247 CE2 PHE A 111 3.554 -5.631 -20.589 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.436 -6.307 -19.739 1.00 0.00 C ATOM 0 H PHE A 111 4.276 -5.221 -25.750 1.00 0.00 H new ATOM 0 HA PHE A 111 6.182 -6.792 -24.168 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.165 -7.183 -24.267 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.239 -8.533 -23.962 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.749 -8.510 -21.971 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.777 -5.481 -22.592 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.905 -7.868 -19.581 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.945 -4.825 -20.206 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.506 -6.026 -18.699 1.00 0.00 H new ATOM 1258 N PRO A 112 6.446 -8.209 -26.265 1.00 0.00 N ATOM 1259 CA PRO A 112 6.627 -9.000 -27.513 1.00 0.00 C ATOM 1260 C PRO A 112 5.458 -9.950 -27.774 1.00 0.00 C ATOM 1261 O PRO A 112 4.307 -9.631 -27.476 1.00 0.00 O ATOM 1262 CB PRO A 112 7.914 -9.792 -27.286 1.00 0.00 C ATOM 1263 CG PRO A 112 8.628 -9.135 -26.146 1.00 0.00 C ATOM 1264 CD PRO A 112 7.621 -8.281 -25.384 1.00 0.00 C ATOM 0 HA PRO A 112 6.674 -8.349 -28.386 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.692 -10.834 -27.055 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.533 -9.790 -28.183 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.065 -9.886 -25.488 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.448 -8.518 -26.515 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.368 -8.730 -24.424 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.021 -7.289 -25.176 1.00 0.00 H new ATOM 1272 N ASP A 113 5.767 -11.112 -28.345 1.00 0.00 N ATOM 1273 CA ASP A 113 4.740 -12.110 -28.661 1.00 0.00 C ATOM 1274 C ASP A 113 5.295 -13.524 -28.488 1.00 0.00 C ATOM 1275 O ASP A 113 5.769 -14.128 -29.451 1.00 0.00 O ATOM 1276 CB ASP A 113 4.281 -11.928 -30.110 1.00 0.00 C ATOM 1277 CG ASP A 113 2.921 -12.579 -30.319 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.732 -13.679 -29.826 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.095 -11.972 -30.976 1.00 0.00 O ATOM 0 H ASP A 113 6.716 -11.388 -28.599 1.00 0.00 H new ATOM 0 HA ASP A 113 3.900 -11.972 -27.981 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.224 -10.866 -30.350 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.011 -12.370 -30.788 1.00 0.00 H new ATOM 1284 N PRO A 114 5.262 -14.052 -27.288 1.00 0.00 N ATOM 1285 CA PRO A 114 5.793 -15.421 -26.993 1.00 0.00 C ATOM 1286 C PRO A 114 4.891 -16.552 -27.506 1.00 0.00 C ATOM 1287 O PRO A 114 5.260 -17.727 -27.449 1.00 0.00 O ATOM 1288 CB PRO A 114 5.881 -15.438 -25.466 1.00 0.00 C ATOM 1289 CG PRO A 114 4.814 -14.501 -25.012 1.00 0.00 C ATOM 1290 CD PRO A 114 4.720 -13.409 -26.078 1.00 0.00 C ATOM 0 HA PRO A 114 6.744 -15.600 -27.495 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.720 -16.441 -25.072 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.864 -15.114 -25.123 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.862 -15.020 -24.902 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.059 -14.075 -24.039 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.691 -13.082 -26.226 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.298 -12.528 -25.800 1.00 0.00 H new ATOM 1298 N CYS A 115 3.723 -16.193 -28.016 1.00 0.00 N ATOM 1299 CA CYS A 115 2.792 -17.190 -28.554 1.00 0.00 C ATOM 1300 C CYS A 115 1.650 -16.512 -29.295 1.00 0.00 C ATOM 1301 O CYS A 115 0.506 -16.514 -28.841 1.00 0.00 O ATOM 1302 CB CYS A 115 2.220 -18.060 -27.442 1.00 0.00 C ATOM 1303 SG CYS A 115 1.834 -17.019 -26.023 1.00 0.00 S ATOM 0 H CYS A 115 3.393 -15.229 -28.072 1.00 0.00 H new ATOM 0 HA CYS A 115 3.350 -17.820 -29.246 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.322 -18.572 -27.789 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.938 -18.830 -27.160 1.00 0.00 H new ATOM 1308 N PRO A 116 1.949 -15.954 -30.424 1.00 0.00 N ATOM 1309 CA PRO A 116 0.944 -15.261 -31.278 1.00 0.00 C ATOM 1310 C PRO A 116 -0.308 -16.109 -31.487 1.00 0.00 C ATOM 1311 O PRO A 116 -0.247 -17.338 -31.453 1.00 0.00 O ATOM 1312 CB PRO A 116 1.674 -15.077 -32.608 1.00 0.00 C ATOM 1313 CG PRO A 116 3.132 -15.100 -32.287 1.00 0.00 C ATOM 1314 CD PRO A 116 3.298 -15.919 -31.008 1.00 0.00 C ATOM 0 HA PRO A 116 0.600 -14.329 -30.829 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.416 -15.872 -33.307 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.394 -14.135 -33.079 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.699 -15.544 -33.105 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.512 -14.088 -32.148 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.665 -16.923 -31.223 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.014 -15.456 -30.329 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.435 -15.451 -31.735 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.682 -16.163 -31.990 1.00 0.00 C ATOM 1324 C GLY A 117 -3.294 -16.757 -30.723 1.00 0.00 C ATOM 1325 O GLY A 117 -4.243 -17.533 -30.797 1.00 0.00 O ATOM 0 H GLY A 117 -1.511 -14.434 -31.765 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.398 -15.480 -32.448 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.499 -16.962 -32.708 1.00 0.00 H new ATOM 1329 N THR A 118 -2.763 -16.384 -29.569 1.00 0.00 N ATOM 1330 CA THR A 118 -3.290 -16.881 -28.304 1.00 0.00 C ATOM 1331 C THR A 118 -3.658 -15.697 -27.416 1.00 0.00 C ATOM 1332 O THR A 118 -3.002 -14.660 -27.459 1.00 0.00 O ATOM 1333 CB THR A 118 -2.257 -17.779 -27.605 1.00 0.00 C ATOM 1334 OG1 THR A 118 -1.943 -18.875 -28.450 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.826 -18.304 -26.283 1.00 0.00 C ATOM 0 H THR A 118 -1.974 -15.744 -29.480 1.00 0.00 H new ATOM 0 HA THR A 118 -4.181 -17.480 -28.494 1.00 0.00 H new ATOM 0 HB THR A 118 -1.358 -17.198 -27.400 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.283 -19.450 -28.009 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.087 -18.939 -25.795 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.068 -17.464 -25.632 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.728 -18.883 -26.480 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.686 -15.853 -26.588 1.00 0.00 N ATOM 1344 CA TYR A 119 -5.070 -14.776 -25.693 1.00 0.00 C ATOM 1345 C TYR A 119 -4.227 -14.903 -24.438 1.00 0.00 C ATOM 1346 O TYR A 119 -4.351 -15.868 -23.680 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.565 -14.847 -25.369 1.00 0.00 C ATOM 1348 CG TYR A 119 -7.026 -13.490 -24.906 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.940 -12.397 -25.776 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -7.530 -13.318 -23.615 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -7.355 -11.129 -25.353 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.950 -12.054 -23.192 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.863 -10.959 -24.059 1.00 0.00 C ATOM 1354 OH TYR A 119 -8.265 -9.709 -23.632 1.00 0.00 O ATOM 0 H TYR A 119 -5.255 -16.697 -26.520 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.897 -13.808 -26.162 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -7.128 -15.157 -26.250 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.749 -15.592 -24.595 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.553 -12.532 -26.775 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.595 -14.162 -22.944 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -7.284 -10.284 -26.022 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -8.342 -11.922 -22.194 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.498 -9.099 -23.637 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.309 -13.967 -24.279 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.364 -14.010 -23.176 1.00 0.00 C ATOM 1366 C LYS A 120 -2.835 -13.263 -21.920 1.00 0.00 C ATOM 1367 O LYS A 120 -4.009 -12.932 -21.749 1.00 0.00 O ATOM 1368 CB LYS A 120 -1.034 -13.416 -23.665 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.524 -14.200 -24.877 1.00 0.00 C ATOM 1370 CD LYS A 120 0.792 -13.581 -25.351 1.00 0.00 C ATOM 1371 CE LYS A 120 1.226 -14.225 -26.674 1.00 0.00 C ATOM 1372 NZ LYS A 120 1.248 -13.189 -27.751 1.00 0.00 N ATOM 0 H LYS A 120 -3.197 -13.166 -24.901 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.258 -15.053 -22.877 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.170 -12.368 -23.931 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.296 -13.448 -22.864 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.374 -15.247 -24.613 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.262 -14.176 -25.679 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.672 -12.506 -25.482 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.565 -13.725 -24.596 1.00 0.00 H new ATOM 0 HE2 LYS A 120 2.214 -14.673 -26.566 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.540 -15.028 -26.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 1.670 -13.592 -28.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 0.276 -12.879 -27.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 1.813 -12.374 -27.437 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.850 -12.978 -21.082 1.00 0.00 N ATOM 1387 CA TYR A 121 -2.053 -12.228 -19.846 1.00 0.00 C ATOM 1388 C TYR A 121 -0.718 -11.884 -19.200 1.00 0.00 C ATOM 1389 O TYR A 121 0.332 -12.375 -19.619 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.953 -12.988 -18.856 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.254 -14.211 -18.303 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.203 -14.075 -17.383 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.675 -15.487 -18.702 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.575 -15.214 -16.872 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.050 -16.623 -18.185 1.00 0.00 C ATOM 1396 CZ TYR A 121 -0.999 -16.489 -17.271 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.388 -17.613 -16.757 1.00 0.00 O ATOM 0 H TYR A 121 -0.882 -13.260 -21.238 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.564 -11.301 -20.108 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.235 -12.327 -18.037 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.874 -13.288 -19.356 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.880 -13.093 -17.071 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.484 -15.591 -19.410 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.238 -15.112 -16.169 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.378 -17.606 -18.491 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.062 -17.423 -15.853 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.770 -11.056 -18.170 1.00 0.00 N ATOM 1408 CA LEU A 122 0.432 -10.660 -17.451 1.00 0.00 C ATOM 1409 C LEU A 122 0.203 -10.847 -15.965 1.00 0.00 C ATOM 1410 O LEU A 122 -0.782 -10.358 -15.425 1.00 0.00 O ATOM 1411 CB LEU A 122 0.746 -9.188 -17.727 1.00 0.00 C ATOM 1412 CG LEU A 122 2.007 -8.764 -16.962 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.254 -9.261 -17.691 1.00 0.00 C ATOM 1414 CD2 LEU A 122 2.049 -7.240 -16.882 1.00 0.00 C ATOM 0 H LEU A 122 -1.632 -10.644 -17.812 1.00 0.00 H new ATOM 0 HA LEU A 122 1.269 -11.274 -17.783 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.891 -9.034 -18.796 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.097 -8.566 -17.427 1.00 0.00 H new ATOM 0 HG LEU A 122 1.983 -9.194 -15.961 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.144 -8.955 -17.140 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.226 -10.348 -17.760 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.283 -8.835 -18.694 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.942 -6.929 -16.340 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.072 -6.823 -17.889 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.163 -6.879 -16.360 1.00 0.00 H new ATOM 1426 N GLU A 123 1.105 -11.549 -15.309 1.00 0.00 N ATOM 1427 CA GLU A 123 0.969 -11.775 -13.884 1.00 0.00 C ATOM 1428 C GLU A 123 2.221 -11.285 -13.190 1.00 0.00 C ATOM 1429 O GLU A 123 3.337 -11.624 -13.590 1.00 0.00 O ATOM 1430 CB GLU A 123 0.759 -13.265 -13.607 1.00 0.00 C ATOM 1431 CG GLU A 123 0.605 -13.497 -12.102 1.00 0.00 C ATOM 1432 CD GLU A 123 -0.777 -13.064 -11.630 1.00 0.00 C ATOM 1433 OE1 GLU A 123 -1.718 -13.803 -11.862 1.00 0.00 O ATOM 1434 OE2 GLU A 123 -0.867 -12.014 -11.021 1.00 0.00 O ATOM 0 H GLU A 123 1.932 -11.969 -15.734 1.00 0.00 H new ATOM 0 HA GLU A 123 0.104 -11.230 -13.505 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.128 -13.620 -14.131 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.605 -13.838 -13.988 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.759 -14.552 -11.874 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.370 -12.939 -11.563 1.00 0.00 H new ATOM 1441 N VAL A 124 2.047 -10.457 -12.176 1.00 0.00 N ATOM 1442 CA VAL A 124 3.201 -9.911 -11.487 1.00 0.00 C ATOM 1443 C VAL A 124 3.045 -9.947 -9.975 1.00 0.00 C ATOM 1444 O VAL A 124 2.048 -9.477 -9.423 1.00 0.00 O ATOM 1445 CB VAL A 124 3.420 -8.468 -11.944 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.661 -7.887 -11.257 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.614 -8.441 -13.463 1.00 0.00 C ATOM 0 H VAL A 124 1.141 -10.154 -11.818 1.00 0.00 H new ATOM 0 HA VAL A 124 4.062 -10.531 -11.739 1.00 0.00 H new ATOM 0 HB VAL A 124 2.550 -7.868 -11.676 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.812 -6.859 -11.587 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.520 -7.905 -10.176 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.535 -8.484 -11.519 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.770 -7.414 -13.792 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.482 -9.043 -13.730 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.727 -8.847 -13.950 1.00 0.00 H new ATOM 1457 N GLN A 125 4.058 -10.491 -9.311 1.00 0.00 N ATOM 1458 CA GLN A 125 4.058 -10.566 -7.864 1.00 0.00 C ATOM 1459 C GLN A 125 5.107 -9.602 -7.328 1.00 0.00 C ATOM 1460 O GLN A 125 6.250 -9.585 -7.802 1.00 0.00 O ATOM 1461 CB GLN A 125 4.380 -11.987 -7.406 1.00 0.00 C ATOM 1462 CG GLN A 125 3.383 -12.966 -8.030 1.00 0.00 C ATOM 1463 CD GLN A 125 3.981 -13.577 -9.292 1.00 0.00 C ATOM 1464 OE1 GLN A 125 5.157 -13.936 -9.315 1.00 0.00 O ATOM 1465 NE2 GLN A 125 3.233 -13.718 -10.350 1.00 0.00 N ATOM 0 H GLN A 125 4.887 -10.885 -9.756 1.00 0.00 H new ATOM 0 HA GLN A 125 3.072 -10.297 -7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.396 -12.252 -7.697 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.334 -12.049 -6.319 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.136 -13.752 -7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.454 -12.449 -8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 125 2.258 -13.420 -10.329 1.00 0.00 H new ATOM 0 HE22 GLN A 125 3.623 -14.127 -11.199 1.00 0.00 H new ATOM 1474 N TYR A 126 4.707 -8.782 -6.362 1.00 0.00 N ATOM 1475 CA TYR A 126 5.614 -7.792 -5.797 1.00 0.00 C ATOM 1476 C TYR A 126 5.234 -7.436 -4.361 1.00 0.00 C ATOM 1477 O TYR A 126 4.193 -7.853 -3.858 1.00 0.00 O ATOM 1478 CB TYR A 126 5.580 -6.523 -6.661 1.00 0.00 C ATOM 1479 CG TYR A 126 4.315 -5.741 -6.388 1.00 0.00 C ATOM 1480 CD1 TYR A 126 4.295 -4.779 -5.369 1.00 0.00 C ATOM 1481 CD2 TYR A 126 3.165 -5.965 -7.155 1.00 0.00 C ATOM 1482 CE1 TYR A 126 3.132 -4.045 -5.121 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.002 -5.224 -6.904 1.00 0.00 C ATOM 1484 CZ TYR A 126 1.988 -4.264 -5.887 1.00 0.00 C ATOM 1485 OH TYR A 126 0.846 -3.532 -5.643 1.00 0.00 O ATOM 0 H TYR A 126 3.770 -8.783 -5.958 1.00 0.00 H new ATOM 0 HA TYR A 126 6.617 -8.218 -5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.452 -5.905 -6.447 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.630 -6.791 -7.716 1.00 0.00 H new ATOM 0 HD1 TYR A 126 5.180 -4.605 -4.775 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.174 -6.708 -7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 126 3.119 -3.306 -4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.115 -5.395 -7.497 1.00 0.00 H new ATOM 0 HH TYR A 126 0.141 -3.808 -6.266 1.00 0.00 H new ATOM 1495 N ASP A 127 6.085 -6.647 -3.708 1.00 0.00 N ATOM 1496 CA ASP A 127 5.810 -6.222 -2.334 1.00 0.00 C ATOM 1497 C ASP A 127 5.935 -4.709 -2.213 1.00 0.00 C ATOM 1498 O ASP A 127 6.523 -4.055 -3.073 1.00 0.00 O ATOM 1499 CB ASP A 127 6.784 -6.864 -1.341 1.00 0.00 C ATOM 1500 CG ASP A 127 6.481 -8.343 -1.157 1.00 0.00 C ATOM 1501 OD1 ASP A 127 5.325 -8.711 -1.250 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.418 -9.084 -0.904 1.00 0.00 O ATOM 0 H ASP A 127 6.958 -6.293 -4.099 1.00 0.00 H new ATOM 0 HA ASP A 127 4.795 -6.541 -2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 127 7.806 -6.741 -1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.718 -6.354 -0.380 1.00 0.00 H new ATOM 1507 N CYS A 128 5.382 -4.164 -1.136 1.00 0.00 N ATOM 1508 CA CYS A 128 5.438 -2.730 -0.895 1.00 0.00 C ATOM 1509 C CYS A 128 6.372 -2.444 0.285 1.00 0.00 C ATOM 1510 O CYS A 128 6.142 -2.923 1.397 1.00 0.00 O ATOM 1511 CB CYS A 128 4.028 -2.202 -0.588 1.00 0.00 C ATOM 1512 SG CYS A 128 2.969 -2.335 -2.055 1.00 0.00 S ATOM 0 H CYS A 128 4.890 -4.694 -0.417 1.00 0.00 H new ATOM 0 HA CYS A 128 5.820 -2.227 -1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.592 -2.768 0.235 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.084 -1.162 -0.265 1.00 0.00 H new ATOM 1517 N VAL A 129 7.425 -1.664 0.042 1.00 0.00 N ATOM 1518 CA VAL A 129 8.373 -1.328 1.104 1.00 0.00 C ATOM 1519 C VAL A 129 8.541 0.183 1.193 1.00 0.00 C ATOM 1520 O VAL A 129 8.376 0.883 0.194 1.00 0.00 O ATOM 1521 CB VAL A 129 9.733 -1.986 0.834 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.528 -3.456 0.481 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.435 -1.277 -0.330 1.00 0.00 C ATOM 0 H VAL A 129 7.642 -1.258 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 129 7.982 -1.702 2.050 1.00 0.00 H new ATOM 0 HB VAL A 129 10.351 -1.907 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.494 -3.922 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.038 -3.965 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 129 8.905 -3.533 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.399 -1.750 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.818 -1.349 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.588 -0.228 -0.078 1.00 0.00 H new ATOM 1533 N PRO A 130 8.867 0.703 2.352 1.00 0.00 N ATOM 1534 CA PRO A 130 9.049 2.164 2.523 1.00 0.00 C ATOM 1535 C PRO A 130 10.052 2.736 1.527 1.00 0.00 C ATOM 1536 O PRO A 130 11.056 2.102 1.199 1.00 0.00 O ATOM 1537 CB PRO A 130 9.560 2.342 3.956 1.00 0.00 C ATOM 1538 CG PRO A 130 9.413 1.025 4.651 1.00 0.00 C ATOM 1539 CD PRO A 130 9.078 -0.039 3.604 1.00 0.00 C ATOM 0 HA PRO A 130 8.115 2.696 2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.602 2.661 3.955 1.00 0.00 H new ATOM 0 HB3 PRO A 130 8.991 3.114 4.473 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.334 0.767 5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.625 1.079 5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 130 9.889 -0.760 3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.186 -0.600 3.884 1.00 0.00 H new ATOM 1547 N TYR A 131 9.763 3.940 1.054 1.00 0.00 N ATOM 1548 CA TYR A 131 10.639 4.607 0.097 1.00 0.00 C ATOM 1549 C TYR A 131 11.896 5.147 0.779 1.00 0.00 C ATOM 1550 O TYR A 131 12.651 5.922 0.190 1.00 0.00 O ATOM 1551 CB TYR A 131 9.887 5.739 -0.600 1.00 0.00 C ATOM 1552 CG TYR A 131 10.841 6.499 -1.481 1.00 0.00 C ATOM 1553 CD1 TYR A 131 11.585 5.823 -2.453 1.00 0.00 C ATOM 1554 CD2 TYR A 131 10.981 7.881 -1.325 1.00 0.00 C ATOM 1555 CE1 TYR A 131 12.471 6.528 -3.275 1.00 0.00 C ATOM 1556 CE2 TYR A 131 11.866 8.590 -2.148 1.00 0.00 C ATOM 1557 CZ TYR A 131 12.611 7.913 -3.125 1.00 0.00 C ATOM 1558 OH TYR A 131 13.480 8.609 -3.936 1.00 0.00 O ATOM 0 H TYR A 131 8.934 4.474 1.314 1.00 0.00 H new ATOM 0 HA TYR A 131 10.951 3.873 -0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 131 9.068 5.335 -1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 131 9.445 6.407 0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.476 4.755 -2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 131 10.408 8.401 -0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 131 13.046 6.004 -4.024 1.00 0.00 H new ATOM 0 HE2 TYR A 131 11.975 9.658 -2.030 1.00 0.00 H new ATOM 0 HH TYR A 131 13.456 9.560 -3.701 1.00 0.00 H new ATOM 1568 N LYS A 132 12.118 4.718 2.017 1.00 0.00 N ATOM 1569 CA LYS A 132 13.289 5.142 2.781 1.00 0.00 C ATOM 1570 C LYS A 132 14.420 4.132 2.580 1.00 0.00 C ATOM 1571 O LYS A 132 14.168 2.960 2.309 1.00 0.00 O ATOM 1572 CB LYS A 132 12.937 5.209 4.271 1.00 0.00 C ATOM 1573 CG LYS A 132 11.619 5.967 4.460 1.00 0.00 C ATOM 1574 CD LYS A 132 11.785 7.439 4.068 1.00 0.00 C ATOM 1575 CE LYS A 132 10.450 8.153 4.268 1.00 0.00 C ATOM 1576 NZ LYS A 132 10.532 9.532 3.701 1.00 0.00 N ATOM 0 H LYS A 132 11.502 4.076 2.515 1.00 0.00 H new ATOM 0 HA LYS A 132 13.606 6.126 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.850 4.202 4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 132 13.736 5.707 4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 132 10.839 5.509 3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 132 11.297 5.895 5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 132 12.559 7.907 4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 132 12.105 7.520 3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 132 9.651 7.595 3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 132 10.206 8.199 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 9.623 10.018 3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 11.284 10.062 4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 10.746 9.477 2.685 1.00 0.00 H new ATOM 1590 N VAL A 133 15.662 4.582 2.705 1.00 0.00 N ATOM 1591 CA VAL A 133 16.794 3.679 2.523 1.00 0.00 C ATOM 1592 C VAL A 133 17.250 3.078 3.851 1.00 0.00 C ATOM 1593 O VAL A 133 17.255 3.749 4.883 1.00 0.00 O ATOM 1594 CB VAL A 133 17.953 4.410 1.850 1.00 0.00 C ATOM 1595 CG1 VAL A 133 19.073 3.413 1.549 1.00 0.00 C ATOM 1596 CG2 VAL A 133 17.458 5.033 0.537 1.00 0.00 C ATOM 0 H VAL A 133 15.910 5.546 2.927 1.00 0.00 H new ATOM 0 HA VAL A 133 16.466 2.862 1.881 1.00 0.00 H new ATOM 0 HB VAL A 133 18.330 5.192 2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 133 19.902 3.932 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 133 19.418 2.961 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 133 18.698 2.634 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 133 18.280 5.557 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 133 17.088 4.247 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 133 16.654 5.737 0.749 1.00 0.00 H new ATOM 1606 N GLU A 134 17.621 1.797 3.812 1.00 0.00 N ATOM 1607 CA GLU A 134 18.067 1.091 5.012 1.00 0.00 C ATOM 1608 C GLU A 134 17.006 1.170 6.103 1.00 0.00 C ATOM 1609 O GLU A 134 17.072 2.089 6.902 1.00 0.00 O ATOM 1610 CB GLU A 134 19.383 1.683 5.528 1.00 0.00 C ATOM 1611 CG GLU A 134 19.798 0.957 6.814 1.00 0.00 C ATOM 1612 CD GLU A 134 21.040 1.617 7.414 1.00 0.00 C ATOM 1613 OE1 GLU A 134 21.322 2.750 7.051 1.00 0.00 O ATOM 1614 OE2 GLU A 134 21.693 0.976 8.221 1.00 0.00 O ATOM 1615 OXT GLU A 134 16.143 0.311 6.125 1.00 0.00 O ATOM 0 H GLU A 134 17.621 1.230 2.964 1.00 0.00 H new ATOM 0 HA GLU A 134 18.229 0.046 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 134 20.162 1.581 4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 134 19.264 2.749 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 134 18.980 0.981 7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 134 20.002 -0.092 6.599 1.00 0.00 H new TER 1622 GLU A 134 HETATM 1623 C1 NAG A 135 15.748 1.404 -5.995 1.00 0.00 C HETATM 1624 C2 NAG A 135 16.741 1.133 -7.092 1.00 0.00 C HETATM 1625 C3 NAG A 135 17.901 0.349 -6.542 1.00 0.00 C HETATM 1626 C4 NAG A 135 18.539 1.122 -5.421 1.00 0.00 C HETATM 1627 C5 NAG A 135 17.494 1.441 -4.370 1.00 0.00 C HETATM 1628 C6 NAG A 135 18.054 2.339 -3.276 1.00 0.00 C HETATM 1629 C7 NAG A 135 16.064 0.944 -9.395 1.00 0.00 C HETATM 1630 C8 NAG A 135 15.410 0.160 -10.501 1.00 0.00 C HETATM 1631 N2 NAG A 135 16.108 0.390 -8.189 1.00 0.00 N HETATM 1632 O3 NAG A 135 18.855 0.110 -7.586 1.00 0.00 O HETATM 1633 O4 NAG A 135 19.590 0.352 -4.836 1.00 0.00 O HETATM 1634 O5 NAG A 135 16.367 2.129 -4.963 1.00 0.00 O HETATM 1635 O6 NAG A 135 19.035 1.643 -2.490 1.00 0.00 O HETATM 1636 O7 NAG A 135 16.535 2.056 -9.628 1.00 0.00 O HETATM 0 HO6 NAG A 135 19.381 2.241 -1.795 1.00 0.00 H new HETATM 0 HO4 NAG A 135 19.680 0.587 -3.889 1.00 0.00 H new HETATM 0 HO3 NAG A 135 19.612 -0.399 -7.227 1.00 0.00 H new HETATM 0 HN2 NAG A 135 15.709 -0.535 -8.028 1.00 0.00 H new HETATM 0 H83 NAG A 135 15.937 -0.784 -10.639 1.00 0.00 H new HETATM 0 H82 NAG A 135 14.371 -0.040 -10.240 1.00 0.00 H new HETATM 0 H81 NAG A 135 15.448 0.735 -11.426 1.00 0.00 H new HETATM 0 H62 NAG A 135 18.504 3.226 -3.723 1.00 0.00 H new HETATM 0 H61 NAG A 135 17.244 2.682 -2.632 1.00 0.00 H new HETATM 0 H5 NAG A 135 17.183 0.488 -3.942 1.00 0.00 H new HETATM 0 H4 NAG A 135 18.955 2.050 -5.814 1.00 0.00 H new HETATM 0 H3 NAG A 135 17.550 -0.609 -6.158 1.00 0.00 H new HETATM 0 H2 NAG A 135 17.101 2.085 -7.483 1.00 0.00 H new