USER MOD reduce.3.24.130724 H: found=0, std=0, add=1268, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1261 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 91 THR H : A 91 THR N : A 90 ASP OD1 :(H bumps) USER MOD NoAdj-H: A 98 HIS H : A 98 HIS N : A 97 GLU OE1 :(H bumps) USER MOD Set 1.1: A 122 SER OG : rot 61:sc= 1.3 USER MOD Set 1.2: A 154 GLN : amide:sc= -3.52! K(o=-2.2!,f=-4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 163:sc=-0.00902 (180deg=-0.134) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 142:sc= -1.02! USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -11.5! C(o=-12!,f=-12!) USER MOD Single : A 36 HIS : no HD1:sc= -0.819 X(o=-0.82,f=-1.2) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.2 F(o=-1.4!,f=-0.2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -104:sc= -3.82! USER MOD Single : A 49 GLN :FLIP amide:sc= -10.1! C(o=-11!,f=-10!) USER MOD Single : A 51 MET CE :methyl -154:sc= -3.17! (180deg=-5.15!) USER MOD Single : A 52 MET CE :methyl -159:sc= -3.2! (180deg=-4.54!) USER MOD Single : A 55 SER OG : rot 140:sc= -0.307 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.294 K(o=0.29,f=-5.3!) USER MOD Single : A 72 GLN : amide:sc= -0.454 K(o=-0.45,f=-4.6!) USER MOD Single : A 75 SER OG : rot -29:sc= 0.132 USER MOD Single : A 77 THR OG1 : rot 91:sc= 0.00104 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0884 USER MOD Single : A 81 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-4.9!) USER MOD Single : A 86 THR OG1 : rot -88:sc= -3.24 USER MOD Single : A 91 THR OG1 : rot 114:sc= -5.1! USER MOD Single : A 93 LYS NZ :NH3+ 156:sc= -0.111 (180deg=-0.525) USER MOD Single : A 98 HIS : no HD1:sc= -0.6 X(o=-0.6,f=-0.38) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0459 F(o=-0.77,f=-0.046) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 110 SER OG : rot 180:sc= -0.246 USER MOD Single : A 114 HIS : no HD1:sc= -5.34! C(o=-5.3!,f=-14!) USER MOD Single : A 121 HIS : no HD1:sc= -0.0244 K(o=-0.024,f=-0.66) USER MOD Single : A 123 SER OG : rot 180:sc= 0.0645 USER MOD Single : A 126 SER OG : rot -158:sc= -2.15! USER MOD Single : A 132 SER OG : rot -82:sc= -4.43! USER MOD Single : A 135 HIS : no HD1:sc=-0.00149 X(o=-0.0015,f=-0.012) USER MOD Single : A 136 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 GLN : amide:sc= -4.26! C(o=-4.3!,f=-6.8!) USER MOD Single : A 155 ASN : amide:sc= -0.633 K(o=-0.63,f=-3.9!) USER MOD Single : A 157 MET CE :methyl 180:sc= -0.0213 (180deg=-0.0213) USER MOD Single : A 161 GLN : amide:sc=-0.00583 X(o=-0.0058,f=0) USER MOD Single : A 163 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-0.92!) USER MOD Single : A 164 MET CE :methyl -105:sc= -6.69! (180deg=-11.7!) USER MOD Single : A 165 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.646 -7.623 18.640 1.00 0.00 N ATOM 2 CA GLY A 1 -24.814 -6.847 18.143 1.00 0.00 C ATOM 3 C GLY A 1 -24.801 -6.676 16.637 1.00 0.00 C ATOM 4 O GLY A 1 -25.602 -7.285 15.929 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.703 -7.711 19.675 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.651 -8.570 18.211 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.767 -7.131 18.382 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.734 -7.351 18.440 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.822 -5.865 18.617 1.00 0.00 H new ATOM 10 N SER A 2 -23.887 -5.846 16.145 1.00 0.00 N ATOM 11 CA SER A 2 -23.773 -5.598 14.713 1.00 0.00 C ATOM 12 C SER A 2 -22.455 -6.139 14.170 1.00 0.00 C ATOM 13 O SER A 2 -21.396 -5.931 14.761 1.00 0.00 O ATOM 14 CB SER A 2 -23.879 -4.100 14.421 1.00 0.00 C ATOM 15 OG SER A 2 -25.233 -3.680 14.388 1.00 0.00 O ATOM 0 H SER A 2 -23.215 -5.334 16.717 1.00 0.00 H new ATOM 0 HA SER A 2 -24.592 -6.117 14.216 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.340 -3.539 15.184 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.403 -3.878 13.466 1.00 0.00 H new ATOM 0 HG SER A 2 -25.273 -2.719 14.201 1.00 0.00 H new ATOM 21 N MET A 3 -22.527 -6.837 13.041 1.00 0.00 N ATOM 22 CA MET A 3 -21.339 -7.409 12.419 1.00 0.00 C ATOM 23 C MET A 3 -21.627 -7.831 10.982 1.00 0.00 C ATOM 24 O MET A 3 -20.993 -7.351 10.043 1.00 0.00 O ATOM 25 CB MET A 3 -20.844 -8.610 13.226 1.00 0.00 C ATOM 26 CG MET A 3 -19.518 -9.167 12.735 1.00 0.00 C ATOM 27 SD MET A 3 -18.189 -8.956 13.936 1.00 0.00 S ATOM 28 CE MET A 3 -18.724 -10.071 15.232 1.00 0.00 C ATOM 0 H MET A 3 -23.396 -7.020 12.539 1.00 0.00 H new ATOM 0 HA MET A 3 -20.562 -6.644 12.405 1.00 0.00 H new ATOM 0 HB2 MET A 3 -20.741 -8.318 14.271 1.00 0.00 H new ATOM 0 HB3 MET A 3 -21.596 -9.398 13.188 1.00 0.00 H new ATOM 0 HG2 MET A 3 -19.635 -10.227 12.510 1.00 0.00 H new ATOM 0 HG3 MET A 3 -19.243 -8.672 11.804 1.00 0.00 H new ATOM 0 HE1 MET A 3 -17.886 -10.287 15.895 1.00 0.00 H new ATOM 0 HE2 MET A 3 -19.528 -9.606 15.803 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.083 -10.999 14.788 1.00 0.00 H new ATOM 38 N LEU A 4 -22.588 -8.734 10.817 1.00 0.00 N ATOM 39 CA LEU A 4 -22.960 -9.221 9.494 1.00 0.00 C ATOM 40 C LEU A 4 -24.433 -8.945 9.207 1.00 0.00 C ATOM 41 O LEU A 4 -25.186 -9.851 8.851 1.00 0.00 O ATOM 42 CB LEU A 4 -22.678 -10.721 9.382 1.00 0.00 C ATOM 43 CG LEU A 4 -22.707 -11.282 7.959 1.00 0.00 C ATOM 44 CD1 LEU A 4 -22.054 -10.309 6.989 1.00 0.00 C ATOM 45 CD2 LEU A 4 -22.017 -12.637 7.906 1.00 0.00 C ATOM 0 H LEU A 4 -23.123 -9.143 11.583 1.00 0.00 H new ATOM 0 HA LEU A 4 -22.359 -8.690 8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -21.699 -10.924 9.816 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -23.411 -11.259 9.983 1.00 0.00 H new ATOM 0 HG LEU A 4 -23.747 -11.416 7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -22.084 -10.724 5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -22.592 -9.361 7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -21.018 -10.143 7.283 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -22.047 -13.021 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -20.980 -12.530 8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -22.529 -13.332 8.571 1.00 0.00 H new ATOM 57 N LEU A 5 -24.837 -7.689 9.368 1.00 0.00 N ATOM 58 CA LEU A 5 -26.221 -7.295 9.128 1.00 0.00 C ATOM 59 C LEU A 5 -26.306 -6.268 8.002 1.00 0.00 C ATOM 60 O LEU A 5 -27.089 -5.319 8.072 1.00 0.00 O ATOM 61 CB LEU A 5 -26.839 -6.723 10.404 1.00 0.00 C ATOM 62 CG LEU A 5 -27.865 -7.629 11.087 1.00 0.00 C ATOM 63 CD1 LEU A 5 -29.197 -7.569 10.356 1.00 0.00 C ATOM 64 CD2 LEU A 5 -27.353 -9.059 11.150 1.00 0.00 C ATOM 0 H LEU A 5 -24.226 -6.927 9.663 1.00 0.00 H new ATOM 0 HA LEU A 5 -26.779 -8.182 8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -26.039 -6.507 11.112 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -27.318 -5.774 10.164 1.00 0.00 H new ATOM 0 HG LEU A 5 -28.016 -7.274 12.106 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -29.915 -8.219 10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -29.569 -6.545 10.362 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -29.062 -7.900 9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -28.095 -9.690 11.639 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -27.174 -9.426 10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -26.422 -9.088 11.717 1.00 0.00 H new ATOM 76 N GLU A 6 -25.496 -6.463 6.967 1.00 0.00 N ATOM 77 CA GLU A 6 -25.480 -5.556 5.827 1.00 0.00 C ATOM 78 C GLU A 6 -25.929 -6.270 4.556 1.00 0.00 C ATOM 79 O GLU A 6 -26.500 -5.655 3.656 1.00 0.00 O ATOM 80 CB GLU A 6 -24.081 -4.975 5.632 1.00 0.00 C ATOM 81 CG GLU A 6 -23.080 -5.997 5.136 1.00 0.00 C ATOM 82 CD GLU A 6 -21.971 -6.263 6.135 1.00 0.00 C ATOM 83 OE1 GLU A 6 -21.916 -5.554 7.162 1.00 0.00 O ATOM 84 OE2 GLU A 6 -21.158 -7.179 5.892 1.00 0.00 O ATOM 0 H GLU A 6 -24.842 -7.242 6.895 1.00 0.00 H new ATOM 0 HA GLU A 6 -26.178 -4.744 6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -24.132 -4.150 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -23.731 -4.560 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -23.598 -6.931 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -22.644 -5.648 4.200 1.00 0.00 H new ATOM 91 N GLU A 7 -25.668 -7.571 4.492 1.00 0.00 N ATOM 92 CA GLU A 7 -26.046 -8.370 3.333 1.00 0.00 C ATOM 93 C GLU A 7 -25.402 -7.827 2.061 1.00 0.00 C ATOM 94 O GLU A 7 -25.978 -7.911 0.977 1.00 0.00 O ATOM 95 CB GLU A 7 -27.567 -8.392 3.175 1.00 0.00 C ATOM 96 CG GLU A 7 -28.078 -9.582 2.381 1.00 0.00 C ATOM 97 CD GLU A 7 -27.338 -10.864 2.707 1.00 0.00 C ATOM 98 OE1 GLU A 7 -26.288 -10.789 3.379 1.00 0.00 O ATOM 99 OE2 GLU A 7 -27.807 -11.944 2.288 1.00 0.00 O ATOM 0 H GLU A 7 -25.196 -8.094 5.229 1.00 0.00 H new ATOM 0 HA GLU A 7 -25.688 -9.387 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -28.027 -8.401 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -27.886 -7.473 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -29.140 -9.719 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -27.981 -9.372 1.316 1.00 0.00 H new ATOM 106 N VAL A 8 -24.204 -7.270 2.202 1.00 0.00 N ATOM 107 CA VAL A 8 -23.483 -6.714 1.063 1.00 0.00 C ATOM 108 C VAL A 8 -24.169 -5.455 0.537 1.00 0.00 C ATOM 109 O VAL A 8 -23.785 -4.916 -0.500 1.00 0.00 O ATOM 110 CB VAL A 8 -23.368 -7.736 -0.082 1.00 0.00 C ATOM 111 CG1 VAL A 8 -22.710 -7.104 -1.298 1.00 0.00 C ATOM 112 CG2 VAL A 8 -22.597 -8.966 0.373 1.00 0.00 C ATOM 0 H VAL A 8 -23.712 -7.192 3.092 1.00 0.00 H new ATOM 0 HA VAL A 8 -22.484 -6.460 1.416 1.00 0.00 H new ATOM 0 HB VAL A 8 -24.373 -8.051 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -22.637 -7.842 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -23.309 -6.259 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -21.711 -6.757 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -22.527 -9.677 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -21.595 -8.672 0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -23.116 -9.432 1.211 1.00 0.00 H new ATOM 122 N CYS A 9 -25.184 -4.994 1.261 1.00 0.00 N ATOM 123 CA CYS A 9 -25.927 -3.799 0.872 1.00 0.00 C ATOM 124 C CYS A 9 -25.019 -2.782 0.188 1.00 0.00 C ATOM 125 O CYS A 9 -25.425 -2.118 -0.767 1.00 0.00 O ATOM 126 CB CYS A 9 -26.584 -3.167 2.098 1.00 0.00 C ATOM 127 SG CYS A 9 -28.388 -3.294 2.118 1.00 0.00 S ATOM 0 H CYS A 9 -25.512 -5.431 2.122 1.00 0.00 H new ATOM 0 HA CYS A 9 -26.698 -4.099 0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -26.187 -3.642 2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -26.304 -2.115 2.145 1.00 0.00 H new ATOM 0 HG CYS A 9 -28.851 -2.733 3.195 1.00 0.00 H new ATOM 133 N VAL A 10 -23.791 -2.662 0.681 1.00 0.00 N ATOM 134 CA VAL A 10 -22.830 -1.723 0.114 1.00 0.00 C ATOM 135 C VAL A 10 -21.485 -2.394 -0.144 1.00 0.00 C ATOM 136 O VAL A 10 -20.525 -1.744 -0.555 1.00 0.00 O ATOM 137 CB VAL A 10 -22.614 -0.513 1.042 1.00 0.00 C ATOM 138 CG1 VAL A 10 -23.934 0.190 1.317 1.00 0.00 C ATOM 139 CG2 VAL A 10 -21.951 -0.947 2.341 1.00 0.00 C ATOM 0 H VAL A 10 -23.438 -3.202 1.471 1.00 0.00 H new ATOM 0 HA VAL A 10 -23.248 -1.380 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 10 -21.950 0.192 0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -23.762 1.042 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -24.364 0.537 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -24.623 -0.505 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -21.807 -0.079 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -22.586 -1.673 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -20.985 -1.401 2.122 1.00 0.00 H new ATOM 149 N GLY A 11 -21.421 -3.700 0.098 1.00 0.00 N ATOM 150 CA GLY A 11 -20.188 -4.434 -0.115 1.00 0.00 C ATOM 151 C GLY A 11 -19.446 -3.978 -1.357 1.00 0.00 C ATOM 152 O GLY A 11 -18.217 -4.002 -1.398 1.00 0.00 O ATOM 0 H GLY A 11 -22.201 -4.262 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -19.542 -4.313 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.412 -5.497 -0.200 1.00 0.00 H new ATOM 156 N ASP A 12 -20.196 -3.560 -2.372 1.00 0.00 N ATOM 157 CA ASP A 12 -19.601 -3.099 -3.622 1.00 0.00 C ATOM 158 C ASP A 12 -19.941 -1.634 -3.883 1.00 0.00 C ATOM 159 O ASP A 12 -20.002 -1.198 -5.032 1.00 0.00 O ATOM 160 CB ASP A 12 -20.080 -3.961 -4.790 1.00 0.00 C ATOM 161 CG ASP A 12 -19.522 -3.494 -6.121 1.00 0.00 C ATOM 162 OD1 ASP A 12 -18.356 -3.046 -6.151 1.00 0.00 O ATOM 163 OD2 ASP A 12 -20.251 -3.577 -7.132 1.00 0.00 O ATOM 0 H ASP A 12 -21.215 -3.531 -2.354 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.519 -3.191 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.785 -4.996 -4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -21.169 -3.942 -4.829 1.00 0.00 H new ATOM 168 N ARG A 13 -20.160 -0.880 -2.810 1.00 0.00 N ATOM 169 CA ARG A 13 -20.491 0.537 -2.928 1.00 0.00 C ATOM 170 C ARG A 13 -19.246 1.400 -2.756 1.00 0.00 C ATOM 171 O ARG A 13 -18.841 2.112 -3.675 1.00 0.00 O ATOM 172 CB ARG A 13 -21.543 0.926 -1.888 1.00 0.00 C ATOM 173 CG ARG A 13 -22.333 2.170 -2.262 1.00 0.00 C ATOM 174 CD ARG A 13 -23.230 1.922 -3.463 1.00 0.00 C ATOM 175 NE ARG A 13 -22.559 2.232 -4.722 1.00 0.00 N ATOM 176 CZ ARG A 13 -22.991 1.816 -5.909 1.00 0.00 C ATOM 177 NH1 ARG A 13 -24.087 1.076 -5.995 1.00 0.00 N ATOM 178 NH2 ARG A 13 -22.326 2.140 -7.010 1.00 0.00 N ATOM 0 H ARG A 13 -20.115 -1.225 -1.851 1.00 0.00 H new ATOM 0 HA ARG A 13 -20.897 0.708 -3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -22.234 0.094 -1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -21.051 1.092 -0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -22.939 2.486 -1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -21.645 2.986 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -23.547 0.879 -3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -24.131 2.529 -3.374 1.00 0.00 H new ATOM 0 HE ARG A 13 -21.712 2.799 -4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -24.600 0.825 -5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -24.417 0.758 -6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -21.482 2.709 -6.947 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -22.659 1.820 -7.920 1.00 0.00 H new ATOM 192 N LEU A 14 -18.644 1.332 -1.574 1.00 0.00 N ATOM 193 CA LEU A 14 -17.444 2.106 -1.281 1.00 0.00 C ATOM 194 C LEU A 14 -16.240 1.544 -2.032 1.00 0.00 C ATOM 195 O LEU A 14 -15.432 2.294 -2.579 1.00 0.00 O ATOM 196 CB LEU A 14 -17.168 2.107 0.224 1.00 0.00 C ATOM 197 CG LEU A 14 -15.825 2.712 0.635 1.00 0.00 C ATOM 198 CD1 LEU A 14 -14.695 1.729 0.372 1.00 0.00 C ATOM 199 CD2 LEU A 14 -15.580 4.019 -0.104 1.00 0.00 C ATOM 0 H LEU A 14 -18.968 0.748 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.611 3.131 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.965 2.657 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.213 1.080 0.587 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.855 2.923 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.747 2.176 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.864 0.818 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.663 1.487 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.620 4.435 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.570 3.833 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.374 4.726 0.135 1.00 0.00 H new ATOM 211 N SER A 15 -16.129 0.220 -2.053 1.00 0.00 N ATOM 212 CA SER A 15 -15.025 -0.443 -2.738 1.00 0.00 C ATOM 213 C SER A 15 -14.981 -0.038 -4.207 1.00 0.00 C ATOM 214 O SER A 15 -13.907 0.109 -4.790 1.00 0.00 O ATOM 215 CB SER A 15 -15.159 -1.961 -2.621 1.00 0.00 C ATOM 216 OG SER A 15 -14.789 -2.408 -1.328 1.00 0.00 O ATOM 0 H SER A 15 -16.789 -0.415 -1.604 1.00 0.00 H new ATOM 0 HA SER A 15 -14.095 -0.132 -2.262 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.187 -2.256 -2.830 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.530 -2.443 -3.370 1.00 0.00 H new ATOM 0 HG SER A 15 -15.388 -3.132 -1.048 1.00 0.00 H new ATOM 222 N GLY A 16 -16.157 0.142 -4.799 1.00 0.00 N ATOM 223 CA GLY A 16 -16.233 0.529 -6.194 1.00 0.00 C ATOM 224 C GLY A 16 -15.702 1.928 -6.434 1.00 0.00 C ATOM 225 O GLY A 16 -14.847 2.136 -7.295 1.00 0.00 O ATOM 0 H GLY A 16 -17.059 0.027 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -15.666 -0.180 -6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.269 0.474 -6.528 1.00 0.00 H new ATOM 229 N ALA A 17 -16.209 2.889 -5.669 1.00 0.00 N ATOM 230 CA ALA A 17 -15.780 4.276 -5.801 1.00 0.00 C ATOM 231 C ALA A 17 -14.286 4.414 -5.534 1.00 0.00 C ATOM 232 O ALA A 17 -13.553 5.000 -6.331 1.00 0.00 O ATOM 233 CB ALA A 17 -16.570 5.165 -4.855 1.00 0.00 C ATOM 0 H ALA A 17 -16.917 2.733 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 17 -15.972 4.594 -6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -16.239 6.198 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -17.632 5.097 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.407 4.839 -3.828 1.00 0.00 H new ATOM 239 N ALA A 18 -13.841 3.871 -4.406 1.00 0.00 N ATOM 240 CA ALA A 18 -12.432 3.932 -4.032 1.00 0.00 C ATOM 241 C ALA A 18 -11.550 3.347 -5.129 1.00 0.00 C ATOM 242 O ALA A 18 -10.581 3.973 -5.559 1.00 0.00 O ATOM 243 CB ALA A 18 -12.203 3.199 -2.721 1.00 0.00 C ATOM 0 H ALA A 18 -14.435 3.384 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.159 4.979 -3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.148 3.252 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.800 3.663 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.497 2.155 -2.832 1.00 0.00 H new ATOM 249 N ALA A 19 -11.893 2.145 -5.578 1.00 0.00 N ATOM 250 CA ALA A 19 -11.132 1.474 -6.624 1.00 0.00 C ATOM 251 C ALA A 19 -11.209 2.247 -7.938 1.00 0.00 C ATOM 252 O ALA A 19 -10.276 2.223 -8.740 1.00 0.00 O ATOM 253 CB ALA A 19 -11.636 0.052 -6.812 1.00 0.00 C ATOM 0 H ALA A 19 -12.694 1.615 -5.233 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.087 1.438 -6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.059 -0.438 -7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.523 -0.500 -5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.688 0.073 -7.095 1.00 0.00 H new ATOM 259 N ARG A 20 -12.328 2.934 -8.148 1.00 0.00 N ATOM 260 CA ARG A 20 -12.527 3.719 -9.363 1.00 0.00 C ATOM 261 C ARG A 20 -11.685 4.993 -9.342 1.00 0.00 C ATOM 262 O ARG A 20 -11.722 5.785 -10.283 1.00 0.00 O ATOM 263 CB ARG A 20 -14.007 4.076 -9.527 1.00 0.00 C ATOM 264 CG ARG A 20 -14.903 2.870 -9.758 1.00 0.00 C ATOM 265 CD ARG A 20 -15.472 2.861 -11.167 1.00 0.00 C ATOM 266 NE ARG A 20 -15.888 4.191 -11.599 1.00 0.00 N ATOM 267 CZ ARG A 20 -16.248 4.480 -12.845 1.00 0.00 C ATOM 268 NH1 ARG A 20 -16.241 3.535 -13.776 1.00 0.00 N ATOM 269 NH2 ARG A 20 -16.618 5.713 -13.161 1.00 0.00 N ATOM 0 H ARG A 20 -13.110 2.963 -7.494 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.207 3.112 -10.210 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.346 4.604 -8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.115 4.764 -10.365 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.335 1.955 -9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.719 2.878 -9.035 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.723 2.474 -11.858 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.325 2.183 -11.209 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.903 4.940 -10.907 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.959 2.585 -13.536 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.518 3.759 -14.732 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.627 6.442 -12.447 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.894 5.933 -14.118 1.00 0.00 H new ATOM 283 N GLY A 21 -10.928 5.184 -8.265 1.00 0.00 N ATOM 284 CA GLY A 21 -10.091 6.364 -8.147 1.00 0.00 C ATOM 285 C GLY A 21 -10.851 7.648 -8.418 1.00 0.00 C ATOM 286 O GLY A 21 -10.583 8.338 -9.402 1.00 0.00 O ATOM 0 H GLY A 21 -10.880 4.543 -7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.664 6.403 -7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.258 6.285 -8.845 1.00 0.00 H new ATOM 290 N ASP A 22 -11.799 7.969 -7.545 1.00 0.00 N ATOM 291 CA ASP A 22 -12.596 9.179 -7.694 1.00 0.00 C ATOM 292 C ASP A 22 -12.677 9.940 -6.376 1.00 0.00 C ATOM 293 O ASP A 22 -13.523 9.647 -5.530 1.00 0.00 O ATOM 294 CB ASP A 22 -14.003 8.830 -8.182 1.00 0.00 C ATOM 295 CG ASP A 22 -14.623 7.692 -7.396 1.00 0.00 C ATOM 296 OD1 ASP A 22 -13.867 6.940 -6.743 1.00 0.00 O ATOM 297 OD2 ASP A 22 -15.863 7.550 -7.433 1.00 0.00 O ATOM 0 H ASP A 22 -12.034 7.407 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.111 9.817 -8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.640 9.711 -8.104 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.962 8.559 -9.237 1.00 0.00 H new ATOM 302 N VAL A 23 -11.793 10.917 -6.206 1.00 0.00 N ATOM 303 CA VAL A 23 -11.767 11.717 -4.989 1.00 0.00 C ATOM 304 C VAL A 23 -13.145 12.294 -4.689 1.00 0.00 C ATOM 305 O VAL A 23 -13.452 12.639 -3.547 1.00 0.00 O ATOM 306 CB VAL A 23 -10.752 12.871 -5.097 1.00 0.00 C ATOM 307 CG1 VAL A 23 -11.087 13.768 -6.278 1.00 0.00 C ATOM 308 CG2 VAL A 23 -10.712 13.672 -3.804 1.00 0.00 C ATOM 0 H VAL A 23 -11.086 11.173 -6.895 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.465 11.055 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.763 12.445 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.359 14.577 -6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.058 13.184 -7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.085 14.186 -6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.989 14.482 -3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.699 14.088 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.419 13.020 -2.981 1.00 0.00 H new ATOM 318 N GLN A 24 -13.973 12.394 -5.722 1.00 0.00 N ATOM 319 CA GLN A 24 -15.322 12.926 -5.572 1.00 0.00 C ATOM 320 C GLN A 24 -16.223 11.926 -4.858 1.00 0.00 C ATOM 321 O GLN A 24 -16.780 12.222 -3.801 1.00 0.00 O ATOM 322 CB GLN A 24 -15.909 13.274 -6.940 1.00 0.00 C ATOM 323 CG GLN A 24 -15.272 14.495 -7.581 1.00 0.00 C ATOM 324 CD GLN A 24 -16.182 15.706 -7.564 1.00 0.00 C ATOM 325 OE1 GLN A 24 -16.423 16.301 -6.513 1.00 0.00 O ATOM 326 NE2 GLN A 24 -16.695 16.078 -8.731 1.00 0.00 N ATOM 0 H GLN A 24 -13.734 12.114 -6.673 1.00 0.00 H new ATOM 0 HA GLN A 24 -15.265 13.832 -4.968 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -15.789 12.420 -7.606 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -16.980 13.447 -6.834 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -14.346 14.734 -7.057 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -15.004 14.261 -8.611 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -16.468 15.556 -9.577 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -17.316 16.886 -8.781 1.00 0.00 H new ATOM 335 N GLU A 25 -16.362 10.738 -5.441 1.00 0.00 N ATOM 336 CA GLU A 25 -17.197 9.694 -4.858 1.00 0.00 C ATOM 337 C GLU A 25 -16.527 9.086 -3.630 1.00 0.00 C ATOM 338 O GLU A 25 -17.177 8.436 -2.813 1.00 0.00 O ATOM 339 CB GLU A 25 -17.481 8.603 -5.891 1.00 0.00 C ATOM 340 CG GLU A 25 -17.846 9.145 -7.264 1.00 0.00 C ATOM 341 CD GLU A 25 -17.179 10.473 -7.562 1.00 0.00 C ATOM 342 OE1 GLU A 25 -16.385 10.942 -6.720 1.00 0.00 O ATOM 343 OE2 GLU A 25 -17.451 11.045 -8.640 1.00 0.00 O ATOM 0 H GLU A 25 -15.907 10.476 -6.316 1.00 0.00 H new ATOM 0 HA GLU A 25 -18.140 10.146 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.603 7.964 -5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -18.295 7.975 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.559 8.419 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -18.928 9.263 -7.328 1.00 0.00 H new ATOM 350 N VAL A 26 -15.222 9.302 -3.510 1.00 0.00 N ATOM 351 CA VAL A 26 -14.459 8.776 -2.387 1.00 0.00 C ATOM 352 C VAL A 26 -14.904 9.412 -1.070 1.00 0.00 C ATOM 353 O VAL A 26 -15.460 8.741 -0.201 1.00 0.00 O ATOM 354 CB VAL A 26 -12.940 8.999 -2.595 1.00 0.00 C ATOM 355 CG1 VAL A 26 -12.192 9.023 -1.269 1.00 0.00 C ATOM 356 CG2 VAL A 26 -12.372 7.924 -3.508 1.00 0.00 C ATOM 0 H VAL A 26 -14.670 9.839 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.651 7.704 -2.336 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.805 9.972 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.129 9.181 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.577 9.832 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.333 8.073 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.304 8.091 -3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.530 6.944 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.874 7.965 -4.475 1.00 0.00 H new ATOM 366 N ARG A 27 -14.638 10.705 -0.926 1.00 0.00 N ATOM 367 CA ARG A 27 -14.994 11.433 0.289 1.00 0.00 C ATOM 368 C ARG A 27 -16.499 11.682 0.384 1.00 0.00 C ATOM 369 O ARG A 27 -17.078 11.623 1.469 1.00 0.00 O ATOM 370 CB ARG A 27 -14.241 12.764 0.337 1.00 0.00 C ATOM 371 CG ARG A 27 -14.592 13.706 -0.805 1.00 0.00 C ATOM 372 CD ARG A 27 -14.504 15.162 -0.378 1.00 0.00 C ATOM 373 NE ARG A 27 -15.399 16.014 -1.154 1.00 0.00 N ATOM 374 CZ ARG A 27 -15.182 16.349 -2.422 1.00 0.00 C ATOM 375 NH1 ARG A 27 -14.109 15.896 -3.055 1.00 0.00 N ATOM 376 NH2 ARG A 27 -16.040 17.135 -3.060 1.00 0.00 N ATOM 0 H ARG A 27 -14.176 11.273 -1.636 1.00 0.00 H new ATOM 0 HA ARG A 27 -14.707 10.817 1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -14.456 13.259 1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -13.169 12.566 0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.917 13.531 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -15.600 13.490 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -14.751 15.245 0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.478 15.513 -0.494 1.00 0.00 H new ATOM 0 HE ARG A 27 -16.238 16.373 -0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.448 15.289 -2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.944 16.154 -4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -16.868 17.484 -2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.871 17.391 -4.033 1.00 0.00 H new ATOM 390 N ARG A 28 -17.125 11.974 -0.751 1.00 0.00 N ATOM 391 CA ARG A 28 -18.560 12.250 -0.790 1.00 0.00 C ATOM 392 C ARG A 28 -19.381 11.048 -0.331 1.00 0.00 C ATOM 393 O ARG A 28 -20.495 11.202 0.165 1.00 0.00 O ATOM 394 CB ARG A 28 -18.980 12.651 -2.204 1.00 0.00 C ATOM 395 CG ARG A 28 -20.482 12.814 -2.370 1.00 0.00 C ATOM 396 CD ARG A 28 -20.868 12.955 -3.833 1.00 0.00 C ATOM 397 NE ARG A 28 -21.299 14.311 -4.158 1.00 0.00 N ATOM 398 CZ ARG A 28 -20.463 15.292 -4.481 1.00 0.00 C ATOM 399 NH1 ARG A 28 -19.156 15.068 -4.516 1.00 0.00 N ATOM 400 NH2 ARG A 28 -20.931 16.499 -4.766 1.00 0.00 N ATOM 0 H ARG A 28 -16.662 12.026 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 28 -18.755 13.072 -0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -18.490 13.588 -2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -18.625 11.897 -2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -20.992 11.953 -1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -20.817 13.692 -1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -20.018 12.685 -4.460 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -21.670 12.254 -4.065 1.00 0.00 H new ATOM 0 HE ARG A 28 -22.298 14.517 -4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.791 14.141 -4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -18.516 15.822 -4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -21.935 16.676 -4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -20.287 17.250 -5.014 1.00 0.00 H new ATOM 414 N LEU A 29 -18.835 9.854 -0.513 1.00 0.00 N ATOM 415 CA LEU A 29 -19.530 8.632 -0.129 1.00 0.00 C ATOM 416 C LEU A 29 -19.549 8.437 1.386 1.00 0.00 C ATOM 417 O LEU A 29 -20.613 8.384 2.003 1.00 0.00 O ATOM 418 CB LEU A 29 -18.872 7.425 -0.796 1.00 0.00 C ATOM 419 CG LEU A 29 -19.426 7.072 -2.179 1.00 0.00 C ATOM 420 CD1 LEU A 29 -18.503 6.096 -2.894 1.00 0.00 C ATOM 421 CD2 LEU A 29 -20.827 6.493 -2.059 1.00 0.00 C ATOM 0 H LEU A 29 -17.913 9.705 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 29 -20.563 8.723 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.803 7.616 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -18.987 6.560 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 29 -19.480 7.986 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -18.915 5.858 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -17.518 6.548 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -18.414 5.182 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -21.206 6.248 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -20.797 5.590 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -21.485 7.225 -1.591 1.00 0.00 H new ATOM 433 N LEU A 30 -18.366 8.305 1.973 1.00 0.00 N ATOM 434 CA LEU A 30 -18.239 8.082 3.410 1.00 0.00 C ATOM 435 C LEU A 30 -18.723 9.274 4.238 1.00 0.00 C ATOM 436 O LEU A 30 -19.544 9.112 5.140 1.00 0.00 O ATOM 437 CB LEU A 30 -16.788 7.755 3.762 1.00 0.00 C ATOM 438 CG LEU A 30 -16.159 6.644 2.917 1.00 0.00 C ATOM 439 CD1 LEU A 30 -14.697 6.952 2.638 1.00 0.00 C ATOM 440 CD2 LEU A 30 -16.302 5.300 3.613 1.00 0.00 C ATOM 0 H LEU A 30 -17.477 8.349 1.475 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.881 7.238 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.189 8.659 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.739 7.466 4.812 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.686 6.593 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.265 6.152 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.621 7.895 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.155 7.030 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.849 4.522 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.801 5.336 4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.359 5.077 3.760 1.00 0.00 H new ATOM 452 N HIS A 31 -18.202 10.464 3.951 1.00 0.00 N ATOM 453 CA HIS A 31 -18.587 11.656 4.706 1.00 0.00 C ATOM 454 C HIS A 31 -19.998 12.120 4.357 1.00 0.00 C ATOM 455 O HIS A 31 -20.505 13.075 4.945 1.00 0.00 O ATOM 456 CB HIS A 31 -17.578 12.793 4.487 1.00 0.00 C ATOM 457 CG HIS A 31 -17.763 13.566 3.213 1.00 0.00 C ATOM 458 ND1 HIS A 31 -19.007 13.937 2.762 1.00 0.00 N ATOM 459 CD2 HIS A 31 -16.826 14.022 2.346 1.00 0.00 C ATOM 460 CE1 HIS A 31 -18.802 14.606 1.642 1.00 0.00 C ATOM 461 NE2 HIS A 31 -17.495 14.682 1.349 1.00 0.00 N ATOM 0 H HIS A 31 -17.520 10.630 3.211 1.00 0.00 H new ATOM 0 HA HIS A 31 -18.582 11.383 5.761 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -17.644 13.484 5.327 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -16.572 12.373 4.497 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -15.757 13.890 2.426 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.587 15.037 1.038 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -17.079 15.143 0.539 1.00 0.00 H new ATOM 469 N ARG A 32 -20.629 11.447 3.403 1.00 0.00 N ATOM 470 CA ARG A 32 -21.983 11.806 2.992 1.00 0.00 C ATOM 471 C ARG A 32 -22.837 10.562 2.775 1.00 0.00 C ATOM 472 O ARG A 32 -23.645 10.196 3.628 1.00 0.00 O ATOM 473 CB ARG A 32 -21.943 12.645 1.715 1.00 0.00 C ATOM 474 CG ARG A 32 -22.673 13.967 1.834 1.00 0.00 C ATOM 475 CD ARG A 32 -22.684 14.720 0.514 1.00 0.00 C ATOM 476 NE ARG A 32 -23.799 14.316 -0.337 1.00 0.00 N ATOM 477 CZ ARG A 32 -25.064 14.641 -0.096 1.00 0.00 C ATOM 478 NH1 ARG A 32 -25.371 15.375 0.965 1.00 0.00 N ATOM 479 NH2 ARG A 32 -26.024 14.234 -0.916 1.00 0.00 N ATOM 0 H ARG A 32 -20.229 10.654 2.901 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.434 12.395 3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -20.904 12.836 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.381 12.070 0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -23.698 13.790 2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.196 14.579 2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -22.746 15.791 0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -21.745 14.545 -0.011 1.00 0.00 H new ATOM 0 HE ARG A 32 -23.595 13.753 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -24.635 15.691 1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -26.343 15.624 1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -25.791 13.670 -1.734 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -26.995 14.485 -0.729 1.00 0.00 H new ATOM 493 N GLU A 33 -22.653 9.915 1.628 1.00 0.00 N ATOM 494 CA GLU A 33 -23.409 8.711 1.304 1.00 0.00 C ATOM 495 C GLU A 33 -23.535 7.804 2.523 1.00 0.00 C ATOM 496 O GLU A 33 -24.493 7.041 2.645 1.00 0.00 O ATOM 497 CB GLU A 33 -22.738 7.957 0.155 1.00 0.00 C ATOM 498 CG GLU A 33 -23.594 6.841 -0.420 1.00 0.00 C ATOM 499 CD GLU A 33 -22.834 5.537 -0.563 1.00 0.00 C ATOM 500 OE1 GLU A 33 -22.163 5.353 -1.603 1.00 0.00 O ATOM 501 OE2 GLU A 33 -22.908 4.701 0.361 1.00 0.00 O ATOM 0 H GLU A 33 -21.989 10.204 0.910 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.410 9.011 0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -22.494 8.663 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.796 7.537 0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -24.460 6.684 0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -23.973 7.145 -1.396 1.00 0.00 H new ATOM 508 N LEU A 34 -22.561 7.893 3.425 1.00 0.00 N ATOM 509 CA LEU A 34 -22.565 7.081 4.636 1.00 0.00 C ATOM 510 C LEU A 34 -22.412 5.602 4.301 1.00 0.00 C ATOM 511 O LEU A 34 -23.368 4.832 4.386 1.00 0.00 O ATOM 512 CB LEU A 34 -23.857 7.307 5.424 1.00 0.00 C ATOM 513 CG LEU A 34 -23.924 6.597 6.777 1.00 0.00 C ATOM 514 CD1 LEU A 34 -22.898 7.178 7.738 1.00 0.00 C ATOM 515 CD2 LEU A 34 -25.324 6.698 7.363 1.00 0.00 C ATOM 0 H LEU A 34 -21.760 8.519 3.339 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.716 7.385 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -23.983 8.377 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -24.698 6.976 4.815 1.00 0.00 H new ATOM 0 HG LEU A 34 -23.691 5.543 6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.961 6.660 8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -21.898 7.052 7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -23.098 8.239 7.886 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -25.353 6.187 8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -25.586 7.747 7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -26.037 6.232 6.683 1.00 0.00 H new ATOM 527 N VAL A 35 -21.200 5.211 3.921 1.00 0.00 N ATOM 528 CA VAL A 35 -20.919 3.824 3.574 1.00 0.00 C ATOM 529 C VAL A 35 -19.801 3.258 4.442 1.00 0.00 C ATOM 530 O VAL A 35 -19.015 4.004 5.026 1.00 0.00 O ATOM 531 CB VAL A 35 -20.524 3.685 2.091 1.00 0.00 C ATOM 532 CG1 VAL A 35 -20.105 2.257 1.781 1.00 0.00 C ATOM 533 CG2 VAL A 35 -21.669 4.123 1.190 1.00 0.00 C ATOM 0 H VAL A 35 -20.397 5.836 3.846 1.00 0.00 H new ATOM 0 HA VAL A 35 -21.835 3.260 3.752 1.00 0.00 H new ATOM 0 HB VAL A 35 -19.672 4.337 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -19.830 2.179 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -19.250 1.986 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -20.934 1.581 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -21.372 4.018 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -22.542 3.500 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -21.914 5.165 1.394 1.00 0.00 H new ATOM 543 N HIS A 36 -19.735 1.933 4.522 1.00 0.00 N ATOM 544 CA HIS A 36 -18.713 1.266 5.320 1.00 0.00 C ATOM 545 C HIS A 36 -17.356 1.329 4.627 1.00 0.00 C ATOM 546 O HIS A 36 -17.270 1.268 3.400 1.00 0.00 O ATOM 547 CB HIS A 36 -19.102 -0.192 5.572 1.00 0.00 C ATOM 548 CG HIS A 36 -19.164 -0.553 7.025 1.00 0.00 C ATOM 549 ND1 HIS A 36 -18.287 -1.455 7.575 1.00 0.00 N ATOM 550 CD2 HIS A 36 -20.008 -0.111 7.988 1.00 0.00 C ATOM 551 CE1 HIS A 36 -18.613 -1.543 8.853 1.00 0.00 C ATOM 552 NE2 HIS A 36 -19.651 -0.746 9.149 1.00 0.00 N ATOM 0 H HIS A 36 -20.377 1.300 4.044 1.00 0.00 H new ATOM 0 HA HIS A 36 -18.638 1.785 6.276 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -20.073 -0.384 5.117 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -18.383 -0.843 5.075 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -20.808 0.604 7.865 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -18.108 -2.176 9.568 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -20.090 -0.634 10.063 1.00 0.00 H new ATOM 560 N PRO A 37 -16.275 1.449 5.411 1.00 0.00 N ATOM 561 CA PRO A 37 -14.912 1.520 4.876 1.00 0.00 C ATOM 562 C PRO A 37 -14.482 0.213 4.218 1.00 0.00 C ATOM 563 O PRO A 37 -13.673 0.211 3.289 1.00 0.00 O ATOM 564 CB PRO A 37 -14.054 1.803 6.114 1.00 0.00 C ATOM 565 CG PRO A 37 -14.862 1.305 7.261 1.00 0.00 C ATOM 566 CD PRO A 37 -16.300 1.526 6.881 1.00 0.00 C ATOM 0 HA PRO A 37 -14.820 2.277 4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.094 1.291 6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.842 2.868 6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -14.665 0.249 7.448 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.613 1.842 8.176 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.952 0.767 7.313 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.664 2.493 7.227 1.00 0.00 H new ATOM 574 N ASP A 38 -15.028 -0.896 4.705 1.00 0.00 N ATOM 575 CA ASP A 38 -14.701 -2.210 4.163 1.00 0.00 C ATOM 576 C ASP A 38 -15.527 -2.503 2.914 1.00 0.00 C ATOM 577 O ASP A 38 -14.992 -2.576 1.808 1.00 0.00 O ATOM 578 CB ASP A 38 -14.944 -3.295 5.215 1.00 0.00 C ATOM 579 CG ASP A 38 -13.659 -3.969 5.658 1.00 0.00 C ATOM 580 OD1 ASP A 38 -12.586 -3.344 5.526 1.00 0.00 O ATOM 581 OD2 ASP A 38 -13.726 -5.121 6.135 1.00 0.00 O ATOM 0 H ASP A 38 -15.699 -0.911 5.473 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.646 -2.210 3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.437 -2.854 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.623 -4.045 4.810 1.00 0.00 H new ATOM 586 N ALA A 39 -16.833 -2.669 3.098 1.00 0.00 N ATOM 587 CA ALA A 39 -17.732 -2.953 1.986 1.00 0.00 C ATOM 588 C ALA A 39 -17.058 -3.846 0.950 1.00 0.00 C ATOM 589 O ALA A 39 -16.452 -3.358 -0.003 1.00 0.00 O ATOM 590 CB ALA A 39 -18.201 -1.657 1.343 1.00 0.00 C ATOM 0 H ALA A 39 -17.292 -2.612 4.007 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.598 -3.486 2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.872 -1.884 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.729 -1.054 2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.339 -1.103 0.971 1.00 0.00 H new ATOM 596 N LEU A 40 -17.164 -5.156 1.145 1.00 0.00 N ATOM 597 CA LEU A 40 -16.560 -6.115 0.228 1.00 0.00 C ATOM 598 C LEU A 40 -17.550 -6.542 -0.852 1.00 0.00 C ATOM 599 O LEU A 40 -18.733 -6.744 -0.580 1.00 0.00 O ATOM 600 CB LEU A 40 -16.067 -7.343 0.994 1.00 0.00 C ATOM 601 CG LEU A 40 -15.003 -7.056 2.054 1.00 0.00 C ATOM 602 CD1 LEU A 40 -15.652 -6.610 3.355 1.00 0.00 C ATOM 603 CD2 LEU A 40 -14.133 -8.283 2.282 1.00 0.00 C ATOM 0 H LEU A 40 -17.662 -5.577 1.929 1.00 0.00 H new ATOM 0 HA LEU A 40 -15.713 -5.629 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -16.921 -7.819 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.663 -8.061 0.280 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.367 -6.247 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.879 -6.410 4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -16.231 -5.703 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.312 -7.397 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.381 -8.060 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -14.755 -9.112 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.639 -8.557 1.350 1.00 0.00 H new ATOM 615 N ASN A 41 -17.054 -6.678 -2.077 1.00 0.00 N ATOM 616 CA ASN A 41 -17.891 -7.084 -3.200 1.00 0.00 C ATOM 617 C ASN A 41 -18.354 -8.527 -3.036 1.00 0.00 C ATOM 618 O ASN A 41 -17.702 -9.456 -3.514 1.00 0.00 O ATOM 619 CB ASN A 41 -17.125 -6.926 -4.515 1.00 0.00 C ATOM 620 CG ASN A 41 -16.214 -5.713 -4.510 1.00 0.00 C ATOM 621 OD1 ASN A 41 -14.986 -5.897 -4.038 1.00 0.00 O flip ATOM 622 ND2 ASN A 41 -16.608 -4.624 -4.927 1.00 0.00 N flip ATOM 0 H ASN A 41 -16.077 -6.513 -2.318 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.770 -6.440 -3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.532 -7.822 -4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -17.835 -6.841 -5.338 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.560 -4.527 -5.281 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -15.983 -3.818 -4.919 1.00 0.00 H new ATOM 629 N ARG A 42 -19.482 -8.707 -2.354 1.00 0.00 N ATOM 630 CA ARG A 42 -20.035 -10.037 -2.121 1.00 0.00 C ATOM 631 C ARG A 42 -19.434 -10.663 -0.867 1.00 0.00 C ATOM 632 O ARG A 42 -19.488 -11.879 -0.679 1.00 0.00 O ATOM 633 CB ARG A 42 -19.782 -10.942 -3.328 1.00 0.00 C ATOM 634 CG ARG A 42 -20.945 -11.868 -3.649 1.00 0.00 C ATOM 635 CD ARG A 42 -20.589 -13.323 -3.387 1.00 0.00 C ATOM 636 NE ARG A 42 -19.315 -13.693 -3.996 1.00 0.00 N ATOM 637 CZ ARG A 42 -19.152 -13.893 -5.299 1.00 0.00 C ATOM 638 NH1 ARG A 42 -20.178 -13.754 -6.127 1.00 0.00 N ATOM 639 NH2 ARG A 42 -17.961 -14.231 -5.776 1.00 0.00 N ATOM 0 H ARG A 42 -20.031 -7.947 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 42 -21.110 -9.933 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -19.571 -10.321 -4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -18.891 -11.542 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -21.810 -11.590 -3.046 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -21.232 -11.745 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -20.541 -13.496 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -21.378 -13.965 -3.778 1.00 0.00 H new ATOM 0 HE ARG A 42 -18.504 -13.804 -3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -21.095 -13.493 -5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -20.051 -13.908 -7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.169 -14.338 -5.142 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.837 -14.384 -6.777 1.00 0.00 H new ATOM 653 N PHE A 43 -18.861 -9.823 -0.009 1.00 0.00 N ATOM 654 CA PHE A 43 -18.250 -10.293 1.229 1.00 0.00 C ATOM 655 C PHE A 43 -17.031 -11.162 0.938 1.00 0.00 C ATOM 656 O PHE A 43 -16.920 -12.282 1.436 1.00 0.00 O ATOM 657 CB PHE A 43 -19.267 -11.080 2.057 1.00 0.00 C ATOM 658 CG PHE A 43 -18.945 -11.123 3.524 1.00 0.00 C ATOM 659 CD1 PHE A 43 -18.677 -9.952 4.224 1.00 0.00 C ATOM 660 CD2 PHE A 43 -18.908 -12.334 4.205 1.00 0.00 C ATOM 661 CE1 PHE A 43 -18.380 -9.988 5.578 1.00 0.00 C ATOM 662 CE2 PHE A 43 -18.611 -12.377 5.559 1.00 0.00 C ATOM 663 CZ PHE A 43 -18.347 -11.203 6.245 1.00 0.00 C ATOM 0 H PHE A 43 -18.808 -8.814 -0.149 1.00 0.00 H new ATOM 0 HA PHE A 43 -17.925 -9.422 1.798 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -20.253 -10.636 1.923 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -19.322 -12.100 1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -18.700 -9.004 3.707 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -19.113 -13.252 3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -18.175 -9.072 6.112 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -18.586 -13.324 6.078 1.00 0.00 H new ATOM 0 HZ PHE A 43 -18.115 -11.234 7.299 1.00 0.00 H new ATOM 673 N GLY A 44 -16.116 -10.637 0.128 1.00 0.00 N ATOM 674 CA GLY A 44 -14.917 -11.376 -0.216 1.00 0.00 C ATOM 675 C GLY A 44 -13.670 -10.516 -0.158 1.00 0.00 C ATOM 676 O GLY A 44 -12.857 -10.649 0.757 1.00 0.00 O ATOM 0 H GLY A 44 -16.185 -9.712 -0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.805 -12.219 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.024 -11.789 -1.219 1.00 0.00 H new ATOM 680 N LYS A 45 -13.519 -9.630 -1.136 1.00 0.00 N ATOM 681 CA LYS A 45 -12.363 -8.743 -1.192 1.00 0.00 C ATOM 682 C LYS A 45 -12.604 -7.486 -0.365 1.00 0.00 C ATOM 683 O LYS A 45 -13.736 -7.020 -0.239 1.00 0.00 O ATOM 684 CB LYS A 45 -12.052 -8.364 -2.642 1.00 0.00 C ATOM 685 CG LYS A 45 -12.056 -9.548 -3.594 1.00 0.00 C ATOM 686 CD LYS A 45 -11.691 -9.126 -5.008 1.00 0.00 C ATOM 687 CE LYS A 45 -10.278 -9.552 -5.370 1.00 0.00 C ATOM 688 NZ LYS A 45 -10.149 -9.881 -6.815 1.00 0.00 N ATOM 0 H LYS A 45 -14.183 -9.507 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.508 -9.274 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.784 -7.632 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.076 -7.880 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.349 -10.300 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.042 -10.013 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.396 -9.565 -5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.781 -8.044 -5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.582 -8.752 -5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.997 -10.420 -4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.170 -10.167 -7.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.794 -10.661 -7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.392 -9.045 -7.384 1.00 0.00 H new ATOM 702 N THR A 46 -11.530 -6.939 0.195 1.00 0.00 N ATOM 703 CA THR A 46 -11.624 -5.735 1.009 1.00 0.00 C ATOM 704 C THR A 46 -11.533 -4.483 0.143 1.00 0.00 C ATOM 705 O THR A 46 -10.889 -4.490 -0.907 1.00 0.00 O ATOM 706 CB THR A 46 -10.519 -5.722 2.065 1.00 0.00 C ATOM 707 OG1 THR A 46 -9.335 -6.313 1.560 1.00 0.00 O ATOM 708 CG2 THR A 46 -10.895 -6.460 3.333 1.00 0.00 C ATOM 0 H THR A 46 -10.585 -7.311 0.099 1.00 0.00 H new ATOM 0 HA THR A 46 -12.593 -5.738 1.508 1.00 0.00 H new ATOM 0 HB THR A 46 -10.363 -4.671 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.232 -7.212 1.936 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.067 -6.413 4.041 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.777 -5.997 3.775 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.111 -7.502 3.097 1.00 0.00 H new ATOM 716 N ALA A 47 -12.182 -3.412 0.586 1.00 0.00 N ATOM 717 CA ALA A 47 -12.173 -2.155 -0.154 1.00 0.00 C ATOM 718 C ALA A 47 -10.747 -1.717 -0.466 1.00 0.00 C ATOM 719 O ALA A 47 -10.476 -1.168 -1.535 1.00 0.00 O ATOM 720 CB ALA A 47 -12.901 -1.075 0.632 1.00 0.00 C ATOM 0 H ALA A 47 -12.720 -3.389 1.452 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.693 -2.311 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.887 -0.142 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.933 -1.381 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.405 -0.927 1.591 1.00 0.00 H new ATOM 726 N LEU A 48 -9.838 -1.965 0.470 1.00 0.00 N ATOM 727 CA LEU A 48 -8.440 -1.600 0.291 1.00 0.00 C ATOM 728 C LEU A 48 -7.763 -2.531 -0.708 1.00 0.00 C ATOM 729 O LEU A 48 -6.795 -2.155 -1.367 1.00 0.00 O ATOM 730 CB LEU A 48 -7.708 -1.644 1.631 1.00 0.00 C ATOM 731 CG LEU A 48 -7.448 -0.280 2.272 1.00 0.00 C ATOM 732 CD1 LEU A 48 -7.169 -0.433 3.759 1.00 0.00 C ATOM 733 CD2 LEU A 48 -6.291 0.422 1.578 1.00 0.00 C ATOM 0 H LEU A 48 -10.045 -2.417 1.360 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.398 -0.584 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.290 -2.250 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.753 -2.150 1.489 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.342 0.333 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.986 0.548 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.029 -0.894 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.291 -1.063 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.120 1.391 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.391 -0.187 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.532 0.566 0.525 1.00 0.00 H new ATOM 745 N GLN A 49 -8.282 -3.751 -0.814 1.00 0.00 N ATOM 746 CA GLN A 49 -7.732 -4.740 -1.731 1.00 0.00 C ATOM 747 C GLN A 49 -8.002 -4.343 -3.179 1.00 0.00 C ATOM 748 O GLN A 49 -7.179 -4.581 -4.064 1.00 0.00 O ATOM 749 CB GLN A 49 -8.332 -6.120 -1.445 1.00 0.00 C ATOM 750 CG GLN A 49 -7.631 -7.269 -2.161 1.00 0.00 C ATOM 751 CD GLN A 49 -6.283 -6.879 -2.741 1.00 0.00 C ATOM 752 OE1 GLN A 49 -5.315 -6.618 -1.870 1.00 0.00 O flip ATOM 753 NE2 GLN A 49 -6.114 -6.815 -3.959 1.00 0.00 N flip ATOM 0 H GLN A 49 -9.084 -4.077 -0.275 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.653 -4.784 -1.580 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.299 -6.302 -0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.383 -6.114 -1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.494 -8.094 -1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.272 -7.634 -2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.886 -7.024 -4.593 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.202 -6.553 -4.334 1.00 0.00 H new ATOM 762 N VAL A 50 -9.158 -3.730 -3.411 1.00 0.00 N ATOM 763 CA VAL A 50 -9.537 -3.291 -4.749 1.00 0.00 C ATOM 764 C VAL A 50 -9.124 -1.842 -4.979 1.00 0.00 C ATOM 765 O VAL A 50 -9.034 -1.383 -6.118 1.00 0.00 O ATOM 766 CB VAL A 50 -11.055 -3.420 -4.979 1.00 0.00 C ATOM 767 CG1 VAL A 50 -11.461 -4.884 -5.062 1.00 0.00 C ATOM 768 CG2 VAL A 50 -11.826 -2.705 -3.881 1.00 0.00 C ATOM 0 H VAL A 50 -9.849 -3.526 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.017 -3.938 -5.455 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.301 -2.945 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.536 -4.955 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.937 -5.361 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.201 -5.387 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.896 -2.808 -4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.577 -3.145 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.559 -1.648 -3.877 1.00 0.00 H new ATOM 778 N MET A 51 -8.876 -1.126 -3.888 1.00 0.00 N ATOM 779 CA MET A 51 -8.473 0.274 -3.963 1.00 0.00 C ATOM 780 C MET A 51 -7.418 0.482 -5.046 1.00 0.00 C ATOM 781 O MET A 51 -6.575 -0.384 -5.281 1.00 0.00 O ATOM 782 CB MET A 51 -7.933 0.741 -2.611 1.00 0.00 C ATOM 783 CG MET A 51 -8.339 2.162 -2.250 1.00 0.00 C ATOM 784 SD MET A 51 -6.926 3.266 -2.071 1.00 0.00 S ATOM 785 CE MET A 51 -6.494 2.983 -0.356 1.00 0.00 C ATOM 0 H MET A 51 -8.947 -1.493 -2.939 1.00 0.00 H new ATOM 0 HA MET A 51 -9.351 0.866 -4.221 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.286 0.063 -1.834 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.845 0.675 -2.621 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.004 2.552 -3.020 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.904 2.148 -1.318 1.00 0.00 H new ATOM 0 HE1 MET A 51 -5.988 3.863 0.042 1.00 0.00 H new ATOM 0 HE2 MET A 51 -7.399 2.794 0.221 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.832 2.120 -0.285 1.00 0.00 H new ATOM 795 N MET A 52 -7.473 1.636 -5.702 1.00 0.00 N ATOM 796 CA MET A 52 -6.523 1.963 -6.760 1.00 0.00 C ATOM 797 C MET A 52 -5.550 3.047 -6.301 1.00 0.00 C ATOM 798 O MET A 52 -4.832 3.635 -7.110 1.00 0.00 O ATOM 799 CB MET A 52 -7.270 2.419 -8.019 1.00 0.00 C ATOM 800 CG MET A 52 -7.484 3.924 -8.101 1.00 0.00 C ATOM 801 SD MET A 52 -6.276 4.739 -9.163 1.00 0.00 S ATOM 802 CE MET A 52 -7.320 5.901 -10.038 1.00 0.00 C ATOM 0 H MET A 52 -8.166 2.362 -5.520 1.00 0.00 H new ATOM 0 HA MET A 52 -5.949 1.066 -6.994 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.713 2.093 -8.897 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.240 1.922 -8.054 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.487 4.125 -8.477 1.00 0.00 H new ATOM 0 HG3 MET A 52 -7.428 4.350 -7.099 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.830 6.206 -10.962 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.274 5.428 -10.272 1.00 0.00 H new ATOM 0 HE3 MET A 52 -7.493 6.777 -9.413 1.00 0.00 H new ATOM 812 N PHE A 53 -5.540 3.310 -4.998 1.00 0.00 N ATOM 813 CA PHE A 53 -4.664 4.327 -4.428 1.00 0.00 C ATOM 814 C PHE A 53 -4.900 5.678 -5.098 1.00 0.00 C ATOM 815 O PHE A 53 -5.614 6.525 -4.562 1.00 0.00 O ATOM 816 CB PHE A 53 -3.196 3.915 -4.568 1.00 0.00 C ATOM 817 CG PHE A 53 -2.882 2.587 -3.937 1.00 0.00 C ATOM 818 CD1 PHE A 53 -3.395 1.407 -4.468 1.00 0.00 C ATOM 819 CD2 PHE A 53 -2.071 2.519 -2.810 1.00 0.00 C ATOM 820 CE1 PHE A 53 -3.104 0.186 -3.883 1.00 0.00 C ATOM 821 CE2 PHE A 53 -1.776 1.299 -2.223 1.00 0.00 C ATOM 822 CZ PHE A 53 -2.305 0.121 -2.776 1.00 0.00 C ATOM 0 H PHE A 53 -6.130 2.832 -4.316 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.898 4.421 -3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.938 3.875 -5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.567 4.681 -4.115 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.026 1.444 -5.344 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.667 3.427 -2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.511 -0.721 -4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.145 1.254 -1.348 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.081 -0.835 -2.327 1.00 0.00 H new ATOM 832 N GLY A 54 -4.301 5.868 -6.273 1.00 0.00 N ATOM 833 CA GLY A 54 -4.460 7.115 -7.002 1.00 0.00 C ATOM 834 C GLY A 54 -4.633 8.309 -6.086 1.00 0.00 C ATOM 835 O GLY A 54 -3.652 8.902 -5.635 1.00 0.00 O ATOM 0 H GLY A 54 -3.707 5.178 -6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.589 7.273 -7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.325 7.039 -7.660 1.00 0.00 H new ATOM 839 N SER A 55 -5.883 8.661 -5.806 1.00 0.00 N ATOM 840 CA SER A 55 -6.178 9.790 -4.933 1.00 0.00 C ATOM 841 C SER A 55 -5.749 9.485 -3.504 1.00 0.00 C ATOM 842 O SER A 55 -6.078 8.432 -2.956 1.00 0.00 O ATOM 843 CB SER A 55 -7.672 10.123 -4.973 1.00 0.00 C ATOM 844 OG SER A 55 -7.958 11.066 -5.990 1.00 0.00 O ATOM 0 H SER A 55 -6.706 8.182 -6.170 1.00 0.00 H new ATOM 0 HA SER A 55 -5.617 10.654 -5.290 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.246 9.213 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.985 10.519 -4.007 1.00 0.00 H new ATOM 0 HG SER A 55 -8.797 10.823 -6.435 1.00 0.00 H new ATOM 850 N PRO A 56 -5.008 10.408 -2.880 1.00 0.00 N ATOM 851 CA PRO A 56 -4.531 10.243 -1.506 1.00 0.00 C ATOM 852 C PRO A 56 -5.665 10.353 -0.496 1.00 0.00 C ATOM 853 O PRO A 56 -5.610 9.769 0.586 1.00 0.00 O ATOM 854 CB PRO A 56 -3.538 11.392 -1.333 1.00 0.00 C ATOM 855 CG PRO A 56 -3.988 12.431 -2.302 1.00 0.00 C ATOM 856 CD PRO A 56 -4.582 11.689 -3.469 1.00 0.00 C ATOM 0 HA PRO A 56 -4.090 9.261 -1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.547 11.773 -0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.518 11.069 -1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.724 13.094 -1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.152 13.053 -2.621 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.422 12.230 -3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.852 11.542 -4.265 1.00 0.00 H new ATOM 864 N ALA A 57 -6.698 11.106 -0.863 1.00 0.00 N ATOM 865 CA ALA A 57 -7.853 11.294 0.004 1.00 0.00 C ATOM 866 C ALA A 57 -8.574 9.972 0.249 1.00 0.00 C ATOM 867 O ALA A 57 -9.080 9.725 1.344 1.00 0.00 O ATOM 868 CB ALA A 57 -8.805 12.314 -0.604 1.00 0.00 C ATOM 0 H ALA A 57 -6.757 11.596 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.502 11.669 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -9.665 12.446 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.289 13.267 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.144 11.960 -1.578 1.00 0.00 H new ATOM 874 N VAL A 58 -8.618 9.125 -0.776 1.00 0.00 N ATOM 875 CA VAL A 58 -9.278 7.834 -0.673 1.00 0.00 C ATOM 876 C VAL A 58 -8.605 6.955 0.375 1.00 0.00 C ATOM 877 O VAL A 58 -9.262 6.173 1.061 1.00 0.00 O ATOM 878 CB VAL A 58 -9.289 7.111 -2.037 1.00 0.00 C ATOM 879 CG1 VAL A 58 -9.421 8.115 -3.171 1.00 0.00 C ATOM 880 CG2 VAL A 58 -8.041 6.256 -2.227 1.00 0.00 C ATOM 0 H VAL A 58 -8.202 9.314 -1.688 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.307 8.016 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.153 6.447 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.427 7.588 -4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.352 8.671 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.579 8.807 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.083 5.762 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.155 6.890 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.992 5.504 -1.439 1.00 0.00 H new ATOM 890 N ALA A 59 -7.290 7.091 0.494 1.00 0.00 N ATOM 891 CA ALA A 59 -6.529 6.315 1.460 1.00 0.00 C ATOM 892 C ALA A 59 -6.969 6.643 2.880 1.00 0.00 C ATOM 893 O ALA A 59 -7.394 5.764 3.630 1.00 0.00 O ATOM 894 CB ALA A 59 -5.041 6.577 1.290 1.00 0.00 C ATOM 0 H ALA A 59 -6.730 7.732 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.720 5.257 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.483 5.990 2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.734 6.292 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.838 7.637 1.445 1.00 0.00 H new ATOM 900 N LEU A 60 -6.866 7.916 3.242 1.00 0.00 N ATOM 901 CA LEU A 60 -7.257 8.367 4.570 1.00 0.00 C ATOM 902 C LEU A 60 -8.750 8.150 4.798 1.00 0.00 C ATOM 903 O LEU A 60 -9.184 7.874 5.917 1.00 0.00 O ATOM 904 CB LEU A 60 -6.909 9.845 4.751 1.00 0.00 C ATOM 905 CG LEU A 60 -7.157 10.401 6.155 1.00 0.00 C ATOM 906 CD1 LEU A 60 -6.454 11.737 6.331 1.00 0.00 C ATOM 907 CD2 LEU A 60 -8.649 10.541 6.413 1.00 0.00 C ATOM 0 H LEU A 60 -6.514 8.655 2.633 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.707 7.780 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.858 9.989 4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.490 10.429 4.037 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.746 9.701 6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.641 12.117 7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.382 11.606 6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.834 12.448 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.809 10.938 7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.083 11.221 5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.126 9.565 6.329 1.00 0.00 H new ATOM 919 N GLU A 61 -9.532 8.274 3.729 1.00 0.00 N ATOM 920 CA GLU A 61 -10.977 8.091 3.809 1.00 0.00 C ATOM 921 C GLU A 61 -11.323 6.663 4.224 1.00 0.00 C ATOM 922 O GLU A 61 -11.961 6.442 5.254 1.00 0.00 O ATOM 923 CB GLU A 61 -11.632 8.407 2.459 1.00 0.00 C ATOM 924 CG GLU A 61 -11.895 9.889 2.217 1.00 0.00 C ATOM 925 CD GLU A 61 -11.926 10.257 0.747 1.00 0.00 C ATOM 926 OE1 GLU A 61 -10.962 9.919 0.029 1.00 0.00 O ATOM 927 OE2 GLU A 61 -12.915 10.886 0.314 1.00 0.00 O ATOM 0 H GLU A 61 -9.188 8.501 2.796 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.360 8.778 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.992 8.029 1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.577 7.867 2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.846 10.162 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.123 10.475 2.715 1.00 0.00 H new ATOM 934 N LEU A 62 -10.899 5.700 3.415 1.00 0.00 N ATOM 935 CA LEU A 62 -11.159 4.298 3.687 1.00 0.00 C ATOM 936 C LEU A 62 -10.495 3.857 4.986 1.00 0.00 C ATOM 937 O LEU A 62 -11.115 3.200 5.822 1.00 0.00 O ATOM 938 CB LEU A 62 -10.644 3.452 2.524 1.00 0.00 C ATOM 939 CG LEU A 62 -11.537 3.447 1.284 1.00 0.00 C ATOM 940 CD1 LEU A 62 -11.204 4.627 0.384 1.00 0.00 C ATOM 941 CD2 LEU A 62 -11.393 2.136 0.525 1.00 0.00 C ATOM 0 H LEU A 62 -10.370 5.870 2.560 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.235 4.159 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.656 3.815 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.520 2.425 2.868 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.574 3.542 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -11.849 4.608 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.362 5.557 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.162 4.563 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -12.037 2.152 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.356 2.008 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.683 1.308 1.171 1.00 0.00 H new ATOM 953 N LEU A 63 -9.230 4.222 5.146 1.00 0.00 N ATOM 954 CA LEU A 63 -8.472 3.864 6.338 1.00 0.00 C ATOM 955 C LEU A 63 -9.077 4.493 7.590 1.00 0.00 C ATOM 956 O LEU A 63 -9.455 3.790 8.528 1.00 0.00 O ATOM 957 CB LEU A 63 -7.015 4.297 6.183 1.00 0.00 C ATOM 958 CG LEU A 63 -6.118 3.283 5.470 1.00 0.00 C ATOM 959 CD1 LEU A 63 -5.833 3.732 4.045 1.00 0.00 C ATOM 960 CD2 LEU A 63 -4.822 3.084 6.239 1.00 0.00 C ATOM 0 H LEU A 63 -8.705 4.768 4.463 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.515 2.781 6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.986 5.237 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.602 4.494 7.172 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.642 2.328 5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.194 2.999 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.771 3.821 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.330 4.699 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.197 2.360 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.293 4.034 6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.046 2.715 7.240 1.00 0.00 H new ATOM 972 N LYS A 64 -9.162 5.819 7.601 1.00 0.00 N ATOM 973 CA LYS A 64 -9.717 6.539 8.743 1.00 0.00 C ATOM 974 C LYS A 64 -11.184 6.178 8.961 1.00 0.00 C ATOM 975 O LYS A 64 -11.707 6.310 10.067 1.00 0.00 O ATOM 976 CB LYS A 64 -9.578 8.048 8.537 1.00 0.00 C ATOM 977 CG LYS A 64 -9.894 8.862 9.781 1.00 0.00 C ATOM 978 CD LYS A 64 -11.289 9.463 9.713 1.00 0.00 C ATOM 979 CE LYS A 64 -11.346 10.820 10.396 1.00 0.00 C ATOM 980 NZ LYS A 64 -12.681 11.460 10.244 1.00 0.00 N ATOM 0 H LYS A 64 -8.854 6.417 6.834 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.156 6.245 9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.560 8.271 8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.242 8.359 7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.813 8.227 10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.158 9.659 9.893 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.591 9.566 8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.001 8.787 10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.117 10.704 11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.581 11.471 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.680 12.383 10.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.889 11.594 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.409 10.850 10.669 1.00 0.00 H new ATOM 994 N GLN A 65 -11.842 5.722 7.900 1.00 0.00 N ATOM 995 CA GLN A 65 -13.249 5.346 7.978 1.00 0.00 C ATOM 996 C GLN A 65 -13.420 4.016 8.706 1.00 0.00 C ATOM 997 O GLN A 65 -14.504 3.700 9.196 1.00 0.00 O ATOM 998 CB GLN A 65 -13.852 5.254 6.575 1.00 0.00 C ATOM 999 CG GLN A 65 -15.273 4.716 6.556 1.00 0.00 C ATOM 1000 CD GLN A 65 -16.305 5.780 6.875 1.00 0.00 C ATOM 1001 OE1 GLN A 65 -15.975 6.956 7.022 1.00 0.00 O ATOM 1002 NE2 GLN A 65 -17.564 5.371 6.981 1.00 0.00 N ATOM 0 H GLN A 65 -11.424 5.604 6.977 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.773 6.117 8.542 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.841 6.244 6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.222 4.612 5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -15.484 4.294 5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.359 3.904 7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -17.793 4.385 6.851 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -18.302 6.042 7.192 1.00 0.00 H new ATOM 1011 N GLY A 66 -12.344 3.239 8.773 1.00 0.00 N ATOM 1012 CA GLY A 66 -12.400 1.953 9.442 1.00 0.00 C ATOM 1013 C GLY A 66 -12.052 0.804 8.518 1.00 0.00 C ATOM 1014 O GLY A 66 -12.786 -0.181 8.437 1.00 0.00 O ATOM 0 H GLY A 66 -11.435 3.477 8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.712 1.956 10.288 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.401 1.800 9.846 1.00 0.00 H new ATOM 1018 N ALA A 67 -10.929 0.930 7.819 1.00 0.00 N ATOM 1019 CA ALA A 67 -10.482 -0.104 6.895 1.00 0.00 C ATOM 1020 C ALA A 67 -9.148 -0.695 7.338 1.00 0.00 C ATOM 1021 O ALA A 67 -8.412 -0.081 8.111 1.00 0.00 O ATOM 1022 CB ALA A 67 -10.369 0.462 5.486 1.00 0.00 C ATOM 0 H ALA A 67 -10.311 1.740 7.876 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.222 -0.904 6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.034 -0.321 4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.342 0.832 5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.650 1.281 5.479 1.00 0.00 H new ATOM 1028 N SER A 68 -8.842 -1.890 6.845 1.00 0.00 N ATOM 1029 CA SER A 68 -7.594 -2.562 7.193 1.00 0.00 C ATOM 1030 C SER A 68 -6.821 -2.962 5.940 1.00 0.00 C ATOM 1031 O SER A 68 -7.317 -3.723 5.109 1.00 0.00 O ATOM 1032 CB SER A 68 -7.879 -3.800 8.045 1.00 0.00 C ATOM 1033 OG SER A 68 -8.765 -3.495 9.109 1.00 0.00 O ATOM 0 H SER A 68 -9.439 -2.413 6.204 1.00 0.00 H new ATOM 0 HA SER A 68 -6.984 -1.865 7.767 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.311 -4.583 7.421 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.945 -4.192 8.447 1.00 0.00 H new ATOM 0 HG SER A 68 -8.932 -4.303 9.637 1.00 0.00 H new ATOM 1039 N PRO A 69 -5.588 -2.453 5.791 1.00 0.00 N ATOM 1040 CA PRO A 69 -4.740 -2.759 4.637 1.00 0.00 C ATOM 1041 C PRO A 69 -4.154 -4.164 4.709 1.00 0.00 C ATOM 1042 O PRO A 69 -3.696 -4.709 3.704 1.00 0.00 O ATOM 1043 CB PRO A 69 -3.633 -1.710 4.733 1.00 0.00 C ATOM 1044 CG PRO A 69 -3.533 -1.400 6.186 1.00 0.00 C ATOM 1045 CD PRO A 69 -4.926 -1.541 6.741 1.00 0.00 C ATOM 0 HA PRO A 69 -5.294 -2.731 3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -2.690 -2.093 4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.879 -0.820 4.154 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.844 -2.083 6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.151 -0.391 6.344 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.915 -1.952 7.750 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.435 -0.579 6.794 1.00 0.00 H new ATOM 1053 N ASN A 70 -4.173 -4.747 5.904 1.00 0.00 N ATOM 1054 CA ASN A 70 -3.643 -6.090 6.111 1.00 0.00 C ATOM 1055 C ASN A 70 -4.474 -7.124 5.358 1.00 0.00 C ATOM 1056 O ASN A 70 -5.057 -8.025 5.961 1.00 0.00 O ATOM 1057 CB ASN A 70 -3.618 -6.427 7.602 1.00 0.00 C ATOM 1058 CG ASN A 70 -3.203 -5.244 8.455 1.00 0.00 C ATOM 1059 OD1 ASN A 70 -3.806 -4.173 8.388 1.00 0.00 O ATOM 1060 ND2 ASN A 70 -2.166 -5.432 9.264 1.00 0.00 N ATOM 0 H ASN A 70 -4.550 -4.309 6.745 1.00 0.00 H new ATOM 0 HA ASN A 70 -2.625 -6.116 5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.607 -6.766 7.912 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.929 -7.254 7.773 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.841 -4.672 9.861 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.695 -6.336 9.288 1.00 0.00 H new ATOM 1067 N VAL A 71 -4.524 -6.987 4.037 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.283 -7.909 3.201 1.00 0.00 C ATOM 1069 C VAL A 71 -4.477 -8.330 1.978 1.00 0.00 C ATOM 1070 O VAL A 71 -3.977 -7.490 1.231 1.00 0.00 O ATOM 1071 CB VAL A 71 -6.610 -7.281 2.734 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -7.342 -6.647 3.906 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -6.361 -6.260 1.635 1.00 0.00 C ATOM 0 H VAL A 71 -4.048 -6.246 3.523 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.499 -8.786 3.812 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.241 -8.071 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.277 -6.209 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.556 -7.408 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.719 -5.869 4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.310 -5.828 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.710 -5.471 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.884 -6.749 0.786 1.00 0.00 H new ATOM 1083 N GLN A 72 -4.352 -9.639 1.781 1.00 0.00 N ATOM 1084 CA GLN A 72 -3.605 -10.173 0.648 1.00 0.00 C ATOM 1085 C GLN A 72 -4.448 -11.173 -0.138 1.00 0.00 C ATOM 1086 O GLN A 72 -5.082 -12.054 0.441 1.00 0.00 O ATOM 1087 CB GLN A 72 -2.316 -10.841 1.131 1.00 0.00 C ATOM 1088 CG GLN A 72 -1.853 -10.355 2.495 1.00 0.00 C ATOM 1089 CD GLN A 72 -0.576 -11.031 2.952 1.00 0.00 C ATOM 1090 OE1 GLN A 72 -0.233 -12.117 2.484 1.00 0.00 O ATOM 1091 NE2 GLN A 72 0.136 -10.390 3.872 1.00 0.00 N ATOM 0 H GLN A 72 -4.758 -10.349 2.391 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.351 -9.344 -0.012 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.469 -11.920 1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.527 -10.658 0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.696 -9.277 2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.639 -10.538 3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.186 -9.492 4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.005 -10.796 4.219 1.00 0.00 H new ATOM 1100 N ASP A 73 -4.448 -11.029 -1.459 1.00 0.00 N ATOM 1101 CA ASP A 73 -5.212 -11.921 -2.324 1.00 0.00 C ATOM 1102 C ASP A 73 -4.313 -12.554 -3.381 1.00 0.00 C ATOM 1103 O ASP A 73 -4.484 -13.719 -3.740 1.00 0.00 O ATOM 1104 CB ASP A 73 -6.354 -11.159 -2.999 1.00 0.00 C ATOM 1105 CG ASP A 73 -5.932 -9.777 -3.462 1.00 0.00 C ATOM 1106 OD1 ASP A 73 -4.831 -9.655 -4.037 1.00 0.00 O ATOM 1107 OD2 ASP A 73 -6.703 -8.819 -3.249 1.00 0.00 O ATOM 0 H ASP A 73 -3.928 -10.304 -1.954 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.631 -12.715 -1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.714 -11.732 -3.854 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.188 -11.067 -2.303 1.00 0.00 H new ATOM 1112 N ALA A 74 -3.355 -11.778 -3.876 1.00 0.00 N ATOM 1113 CA ALA A 74 -2.430 -12.263 -4.892 1.00 0.00 C ATOM 1114 C ALA A 74 -1.405 -13.217 -4.290 1.00 0.00 C ATOM 1115 O ALA A 74 -0.220 -12.895 -4.198 1.00 0.00 O ATOM 1116 CB ALA A 74 -1.731 -11.094 -5.570 1.00 0.00 C ATOM 0 H ALA A 74 -3.199 -10.811 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.004 -12.812 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.043 -11.471 -6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.473 -10.451 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.175 -10.522 -4.827 1.00 0.00 H new ATOM 1122 N SER A 75 -1.869 -14.393 -3.880 1.00 0.00 N ATOM 1123 CA SER A 75 -0.992 -15.396 -3.285 1.00 0.00 C ATOM 1124 C SER A 75 -0.231 -14.815 -2.097 1.00 0.00 C ATOM 1125 O SER A 75 0.798 -15.350 -1.685 1.00 0.00 O ATOM 1126 CB SER A 75 -0.007 -15.925 -4.328 1.00 0.00 C ATOM 1127 OG SER A 75 1.095 -15.049 -4.481 1.00 0.00 O ATOM 0 H SER A 75 -2.847 -14.675 -3.949 1.00 0.00 H new ATOM 0 HA SER A 75 -1.610 -16.220 -2.930 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.348 -16.912 -4.030 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.515 -16.045 -5.285 1.00 0.00 H new ATOM 0 HG SER A 75 0.815 -14.132 -4.277 1.00 0.00 H new ATOM 1133 N GLY A 76 -0.745 -13.718 -1.552 1.00 0.00 N ATOM 1134 CA GLY A 76 -0.102 -13.083 -0.418 1.00 0.00 C ATOM 1135 C GLY A 76 0.567 -11.775 -0.788 1.00 0.00 C ATOM 1136 O GLY A 76 1.761 -11.591 -0.548 1.00 0.00 O ATOM 0 H GLY A 76 -1.596 -13.257 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.843 -12.901 0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.641 -13.762 0.001 1.00 0.00 H new ATOM 1140 N THR A 77 -0.202 -10.864 -1.374 1.00 0.00 N ATOM 1141 CA THR A 77 0.325 -9.565 -1.779 1.00 0.00 C ATOM 1142 C THR A 77 -0.656 -8.449 -1.440 1.00 0.00 C ATOM 1143 O THR A 77 -1.632 -8.227 -2.158 1.00 0.00 O ATOM 1144 CB THR A 77 0.623 -9.559 -3.279 1.00 0.00 C ATOM 1145 OG1 THR A 77 1.757 -10.358 -3.569 1.00 0.00 O ATOM 1146 CG2 THR A 77 0.884 -8.174 -3.831 1.00 0.00 C ATOM 0 H THR A 77 -1.192 -11.000 -1.579 1.00 0.00 H new ATOM 0 HA THR A 77 1.250 -9.389 -1.230 1.00 0.00 H new ATOM 0 HB THR A 77 -0.273 -9.959 -3.753 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.470 -11.274 -3.766 1.00 0.00 H new ATOM 0 HG21 THR A 77 1.089 -8.241 -4.900 1.00 0.00 H new ATOM 0 HG22 THR A 77 0.008 -7.546 -3.668 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.744 -7.736 -3.324 1.00 0.00 H new ATOM 1154 N SER A 78 -0.391 -7.747 -0.344 1.00 0.00 N ATOM 1155 CA SER A 78 -1.251 -6.651 0.087 1.00 0.00 C ATOM 1156 C SER A 78 -1.150 -5.473 -0.877 1.00 0.00 C ATOM 1157 O SER A 78 -0.327 -5.476 -1.793 1.00 0.00 O ATOM 1158 CB SER A 78 -0.876 -6.203 1.500 1.00 0.00 C ATOM 1159 OG SER A 78 -0.122 -7.199 2.169 1.00 0.00 O ATOM 0 H SER A 78 0.412 -7.917 0.262 1.00 0.00 H new ATOM 0 HA SER A 78 -2.280 -7.009 0.091 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.300 -5.279 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.781 -5.985 2.068 1.00 0.00 H new ATOM 0 HG SER A 78 0.106 -6.887 3.069 1.00 0.00 H new ATOM 1165 N PRO A 79 -1.989 -4.447 -0.678 1.00 0.00 N ATOM 1166 CA PRO A 79 -2.000 -3.253 -1.528 1.00 0.00 C ATOM 1167 C PRO A 79 -0.680 -2.491 -1.465 1.00 0.00 C ATOM 1168 O PRO A 79 -0.241 -1.904 -2.452 1.00 0.00 O ATOM 1169 CB PRO A 79 -3.135 -2.399 -0.947 1.00 0.00 C ATOM 1170 CG PRO A 79 -3.952 -3.340 -0.127 1.00 0.00 C ATOM 1171 CD PRO A 79 -2.994 -4.371 0.390 1.00 0.00 C ATOM 0 HA PRO A 79 -2.140 -3.507 -2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.743 -1.585 -0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.732 -1.946 -1.739 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.444 -2.817 0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.736 -3.801 -0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.552 -4.072 1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -3.483 -5.331 0.554 1.00 0.00 H new ATOM 1179 N VAL A 80 -0.054 -2.508 -0.293 1.00 0.00 N ATOM 1180 CA VAL A 80 1.210 -1.824 -0.088 1.00 0.00 C ATOM 1181 C VAL A 80 2.255 -2.272 -1.104 1.00 0.00 C ATOM 1182 O VAL A 80 3.048 -1.465 -1.589 1.00 0.00 O ATOM 1183 CB VAL A 80 1.740 -2.083 1.330 1.00 0.00 C ATOM 1184 CG1 VAL A 80 1.105 -1.121 2.321 1.00 0.00 C ATOM 1185 CG2 VAL A 80 1.489 -3.527 1.738 1.00 0.00 C ATOM 0 H VAL A 80 -0.407 -2.992 0.532 1.00 0.00 H new ATOM 0 HA VAL A 80 1.028 -0.758 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 80 2.816 -1.912 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.493 -1.320 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.343 -0.096 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.023 -1.257 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.871 -3.692 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.418 -3.730 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.998 -4.195 1.043 1.00 0.00 H new ATOM 1195 N HIS A 81 2.252 -3.562 -1.420 1.00 0.00 N ATOM 1196 CA HIS A 81 3.204 -4.116 -2.377 1.00 0.00 C ATOM 1197 C HIS A 81 3.062 -3.445 -3.740 1.00 0.00 C ATOM 1198 O HIS A 81 3.973 -2.759 -4.203 1.00 0.00 O ATOM 1199 CB HIS A 81 2.999 -5.626 -2.512 1.00 0.00 C ATOM 1200 CG HIS A 81 3.546 -6.410 -1.360 1.00 0.00 C ATOM 1201 ND1 HIS A 81 2.754 -6.761 -0.293 1.00 0.00 N ATOM 1202 CD2 HIS A 81 4.801 -6.879 -1.154 1.00 0.00 C ATOM 1203 CE1 HIS A 81 3.537 -7.432 0.533 1.00 0.00 C ATOM 1204 NE2 HIS A 81 4.788 -7.529 0.054 1.00 0.00 N ATOM 0 H HIS A 81 1.602 -4.244 -1.028 1.00 0.00 H new ATOM 0 HA HIS A 81 4.210 -3.924 -2.004 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.933 -5.832 -2.608 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.474 -5.968 -3.432 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.648 -6.763 -1.814 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.212 -7.850 1.474 1.00 0.00 H new ATOM 0 HE2 HIS A 81 5.576 -7.996 0.502 1.00 0.00 H new ATOM 1212 N ASP A 82 1.916 -3.650 -4.380 1.00 0.00 N ATOM 1213 CA ASP A 82 1.655 -3.068 -5.693 1.00 0.00 C ATOM 1214 C ASP A 82 1.768 -1.547 -5.657 1.00 0.00 C ATOM 1215 O ASP A 82 2.249 -0.929 -6.606 1.00 0.00 O ATOM 1216 CB ASP A 82 0.265 -3.475 -6.184 1.00 0.00 C ATOM 1217 CG ASP A 82 -0.657 -2.285 -6.361 1.00 0.00 C ATOM 1218 OD1 ASP A 82 -0.178 -1.139 -6.231 1.00 0.00 O ATOM 1219 OD2 ASP A 82 -1.858 -2.498 -6.630 1.00 0.00 O ATOM 0 H ASP A 82 1.152 -4.215 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 82 2.407 -3.449 -6.384 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.358 -4.003 -7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.179 -4.172 -5.473 1.00 0.00 H new ATOM 1224 N ALA A 83 1.317 -0.949 -4.558 1.00 0.00 N ATOM 1225 CA ALA A 83 1.365 0.501 -4.405 1.00 0.00 C ATOM 1226 C ALA A 83 2.771 1.037 -4.655 1.00 0.00 C ATOM 1227 O ALA A 83 2.947 2.058 -5.320 1.00 0.00 O ATOM 1228 CB ALA A 83 0.887 0.899 -3.016 1.00 0.00 C ATOM 0 H ALA A 83 0.915 -1.445 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 83 0.701 0.941 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.928 1.983 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.139 0.559 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.529 0.440 -2.265 1.00 0.00 H new ATOM 1234 N ALA A 84 3.769 0.343 -4.116 1.00 0.00 N ATOM 1235 CA ALA A 84 5.159 0.750 -4.280 1.00 0.00 C ATOM 1236 C ALA A 84 5.635 0.533 -5.713 1.00 0.00 C ATOM 1237 O ALA A 84 6.109 1.462 -6.367 1.00 0.00 O ATOM 1238 CB ALA A 84 6.048 -0.010 -3.308 1.00 0.00 C ATOM 0 H ALA A 84 3.640 -0.504 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 84 5.225 1.816 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.084 0.303 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.733 0.201 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.965 -1.080 -3.500 1.00 0.00 H new ATOM 1244 N ARG A 85 5.509 -0.699 -6.194 1.00 0.00 N ATOM 1245 CA ARG A 85 5.931 -1.037 -7.549 1.00 0.00 C ATOM 1246 C ARG A 85 5.142 -0.240 -8.583 1.00 0.00 C ATOM 1247 O ARG A 85 5.631 0.024 -9.681 1.00 0.00 O ATOM 1248 CB ARG A 85 5.753 -2.536 -7.803 1.00 0.00 C ATOM 1249 CG ARG A 85 5.901 -2.925 -9.265 1.00 0.00 C ATOM 1250 CD ARG A 85 7.039 -3.912 -9.466 1.00 0.00 C ATOM 1251 NE ARG A 85 6.925 -4.627 -10.734 1.00 0.00 N ATOM 1252 CZ ARG A 85 7.959 -5.172 -11.365 1.00 0.00 C ATOM 1253 NH1 ARG A 85 9.177 -5.082 -10.849 1.00 0.00 N ATOM 1254 NH2 ARG A 85 7.777 -5.807 -12.516 1.00 0.00 N ATOM 0 H ARG A 85 5.118 -1.480 -5.667 1.00 0.00 H new ATOM 0 HA ARG A 85 6.986 -0.780 -7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.486 -3.086 -7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.767 -2.841 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.970 -3.364 -9.622 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.082 -2.032 -9.864 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.990 -3.380 -9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.047 -4.629 -8.645 1.00 0.00 H new ATOM 0 HE ARG A 85 6.001 -4.713 -11.158 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.322 -4.593 -9.965 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.969 -5.501 -11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.842 -5.877 -12.917 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.572 -6.225 -12.999 1.00 0.00 H new ATOM 1268 N THR A 86 3.920 0.140 -8.225 1.00 0.00 N ATOM 1269 CA THR A 86 3.065 0.907 -9.124 1.00 0.00 C ATOM 1270 C THR A 86 3.584 2.332 -9.287 1.00 0.00 C ATOM 1271 O THR A 86 4.092 2.701 -10.345 1.00 0.00 O ATOM 1272 CB THR A 86 1.628 0.933 -8.599 1.00 0.00 C ATOM 1273 OG1 THR A 86 1.602 1.288 -7.229 1.00 0.00 O ATOM 1274 CG2 THR A 86 0.913 -0.393 -8.745 1.00 0.00 C ATOM 0 H THR A 86 3.500 -0.070 -7.320 1.00 0.00 H new ATOM 0 HA THR A 86 3.080 0.420 -10.099 1.00 0.00 H new ATOM 0 HB THR A 86 1.111 1.674 -9.208 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.704 0.482 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.100 -0.305 -8.354 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.872 -0.670 -9.798 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.452 -1.160 -8.188 1.00 0.00 H new ATOM 1282 N GLY A 87 3.451 3.128 -8.232 1.00 0.00 N ATOM 1283 CA GLY A 87 3.911 4.503 -8.277 1.00 0.00 C ATOM 1284 C GLY A 87 2.887 5.474 -7.721 1.00 0.00 C ATOM 1285 O GLY A 87 2.374 6.329 -8.443 1.00 0.00 O ATOM 0 H GLY A 87 3.032 2.845 -7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.837 4.592 -7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.141 4.773 -9.308 1.00 0.00 H new ATOM 1289 N PHE A 88 2.595 5.341 -6.433 1.00 0.00 N ATOM 1290 CA PHE A 88 1.631 6.210 -5.767 1.00 0.00 C ATOM 1291 C PHE A 88 2.169 6.647 -4.410 1.00 0.00 C ATOM 1292 O PHE A 88 1.485 6.538 -3.393 1.00 0.00 O ATOM 1293 CB PHE A 88 0.292 5.490 -5.593 1.00 0.00 C ATOM 1294 CG PHE A 88 -0.433 5.243 -6.885 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -0.480 6.223 -7.871 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -1.070 4.028 -7.117 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -1.150 5.996 -9.063 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -1.741 3.796 -8.308 1.00 0.00 C ATOM 1299 CZ PHE A 88 -1.780 4.781 -9.282 1.00 0.00 C ATOM 0 H PHE A 88 3.014 4.636 -5.826 1.00 0.00 H new ATOM 0 HA PHE A 88 1.474 7.092 -6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.465 4.536 -5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.346 6.081 -4.936 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.011 7.171 -7.706 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.042 3.257 -6.361 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.181 6.765 -9.820 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.232 2.849 -8.476 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.301 4.602 -10.211 1.00 0.00 H new ATOM 1309 N LEU A 89 3.404 7.132 -4.408 1.00 0.00 N ATOM 1310 CA LEU A 89 4.053 7.578 -3.181 1.00 0.00 C ATOM 1311 C LEU A 89 3.185 8.574 -2.420 1.00 0.00 C ATOM 1312 O LEU A 89 3.029 8.466 -1.206 1.00 0.00 O ATOM 1313 CB LEU A 89 5.410 8.211 -3.499 1.00 0.00 C ATOM 1314 CG LEU A 89 6.158 8.779 -2.290 1.00 0.00 C ATOM 1315 CD1 LEU A 89 5.491 10.055 -1.799 1.00 0.00 C ATOM 1316 CD2 LEU A 89 6.228 7.748 -1.175 1.00 0.00 C ATOM 0 H LEU A 89 3.978 7.227 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 89 4.200 6.703 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.040 7.462 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.260 9.012 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 89 7.175 9.022 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.037 10.443 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.494 10.798 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.463 9.839 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.763 8.169 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.218 7.473 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.753 6.862 -1.531 1.00 0.00 H new ATOM 1328 N ASP A 90 2.626 9.546 -3.131 1.00 0.00 N ATOM 1329 CA ASP A 90 1.785 10.556 -2.502 1.00 0.00 C ATOM 1330 C ASP A 90 0.694 9.905 -1.663 1.00 0.00 C ATOM 1331 O ASP A 90 0.684 10.024 -0.437 1.00 0.00 O ATOM 1332 CB ASP A 90 1.155 11.463 -3.560 1.00 0.00 C ATOM 1333 CG ASP A 90 -0.311 11.154 -3.789 1.00 0.00 C ATOM 1334 OD1 ASP A 90 -0.830 10.223 -3.138 1.00 0.00 O ATOM 1335 OD2 ASP A 90 -0.941 11.845 -4.618 1.00 0.00 O ATOM 0 H ASP A 90 2.739 9.656 -4.139 1.00 0.00 H new ATOM 0 HA ASP A 90 2.415 11.159 -1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.260 12.503 -3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.698 11.352 -4.499 1.00 0.00 H new ATOM 1340 N THR A 91 -0.219 9.211 -2.327 1.00 0.00 N ATOM 1341 CA THR A 91 -1.309 8.536 -1.636 1.00 0.00 C ATOM 1342 C THR A 91 -0.766 7.422 -0.753 1.00 0.00 C ATOM 1343 O THR A 91 -1.171 7.278 0.400 1.00 0.00 O ATOM 1344 CB THR A 91 -2.314 7.973 -2.641 1.00 0.00 C ATOM 1345 OG1 THR A 91 -3.047 9.018 -3.256 1.00 0.00 O ATOM 1346 CG2 THR A 91 -3.309 7.016 -2.023 1.00 0.00 C ATOM 0 HA THR A 91 -1.821 9.264 -1.006 1.00 0.00 H new ATOM 0 HB THR A 91 -1.716 7.427 -3.371 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.826 9.055 -4.210 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.992 6.655 -2.792 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.777 6.172 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.876 7.531 -1.247 1.00 0.00 H new ATOM 1354 N LEU A 92 0.163 6.641 -1.291 1.00 0.00 N ATOM 1355 CA LEU A 92 0.763 5.555 -0.531 1.00 0.00 C ATOM 1356 C LEU A 92 1.293 6.085 0.793 1.00 0.00 C ATOM 1357 O LEU A 92 1.022 5.526 1.853 1.00 0.00 O ATOM 1358 CB LEU A 92 1.893 4.900 -1.326 1.00 0.00 C ATOM 1359 CG LEU A 92 2.436 3.602 -0.724 1.00 0.00 C ATOM 1360 CD1 LEU A 92 1.307 2.610 -0.490 1.00 0.00 C ATOM 1361 CD2 LEU A 92 3.501 2.999 -1.627 1.00 0.00 C ATOM 0 H LEU A 92 0.514 6.739 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.000 4.802 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.536 4.694 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.713 5.612 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 92 2.894 3.833 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.711 1.693 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.580 3.042 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.819 2.383 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.875 2.077 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.069 2.782 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.323 3.706 -1.743 1.00 0.00 H new ATOM 1373 N LYS A 93 2.043 7.180 0.723 1.00 0.00 N ATOM 1374 CA LYS A 93 2.603 7.795 1.916 1.00 0.00 C ATOM 1375 C LYS A 93 1.516 8.041 2.954 1.00 0.00 C ATOM 1376 O LYS A 93 1.769 7.985 4.153 1.00 0.00 O ATOM 1377 CB LYS A 93 3.293 9.116 1.562 1.00 0.00 C ATOM 1378 CG LYS A 93 4.307 9.573 2.594 1.00 0.00 C ATOM 1379 CD LYS A 93 5.720 9.535 2.034 1.00 0.00 C ATOM 1380 CE LYS A 93 6.050 10.801 1.261 1.00 0.00 C ATOM 1381 NZ LYS A 93 6.077 12.001 2.143 1.00 0.00 N ATOM 0 H LYS A 93 2.276 7.658 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 93 3.340 7.111 2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.792 9.008 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.535 9.890 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.069 10.586 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.245 8.934 3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.432 9.410 2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.830 8.670 1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.019 10.687 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.312 10.947 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.675 12.735 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.111 12.367 2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.465 11.740 3.072 1.00 0.00 H new ATOM 1395 N VAL A 94 0.304 8.319 2.485 1.00 0.00 N ATOM 1396 CA VAL A 94 -0.817 8.576 3.380 1.00 0.00 C ATOM 1397 C VAL A 94 -1.328 7.284 4.027 1.00 0.00 C ATOM 1398 O VAL A 94 -1.413 7.183 5.251 1.00 0.00 O ATOM 1399 CB VAL A 94 -1.970 9.313 2.645 1.00 0.00 C ATOM 1400 CG1 VAL A 94 -3.140 8.388 2.327 1.00 0.00 C ATOM 1401 CG2 VAL A 94 -2.441 10.504 3.466 1.00 0.00 C ATOM 0 H VAL A 94 0.074 8.372 1.493 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.451 9.227 4.174 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.574 9.666 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.920 8.951 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.798 7.575 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.540 7.976 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.249 11.012 2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.800 10.158 4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.612 11.196 3.612 1.00 0.00 H new ATOM 1411 N LEU A 95 -1.677 6.307 3.197 1.00 0.00 N ATOM 1412 CA LEU A 95 -2.190 5.030 3.688 1.00 0.00 C ATOM 1413 C LEU A 95 -1.080 4.168 4.284 1.00 0.00 C ATOM 1414 O LEU A 95 -1.231 3.613 5.374 1.00 0.00 O ATOM 1415 CB LEU A 95 -2.891 4.267 2.561 1.00 0.00 C ATOM 1416 CG LEU A 95 -1.967 3.712 1.475 1.00 0.00 C ATOM 1417 CD1 LEU A 95 -1.379 2.379 1.910 1.00 0.00 C ATOM 1418 CD2 LEU A 95 -2.717 3.561 0.160 1.00 0.00 C ATOM 0 H LEU A 95 -1.615 6.373 2.181 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.909 5.249 4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.450 3.439 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.618 4.930 2.092 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.150 4.417 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.724 1.997 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.806 2.516 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.185 1.667 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.043 3.165 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.554 2.876 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.092 4.534 -0.159 1.00 0.00 H new ATOM 1430 N VAL A 96 0.027 4.044 3.560 1.00 0.00 N ATOM 1431 CA VAL A 96 1.151 3.233 4.013 1.00 0.00 C ATOM 1432 C VAL A 96 1.698 3.729 5.355 1.00 0.00 C ATOM 1433 O VAL A 96 2.116 2.930 6.194 1.00 0.00 O ATOM 1434 CB VAL A 96 2.274 3.183 2.938 1.00 0.00 C ATOM 1435 CG1 VAL A 96 3.546 3.892 3.394 1.00 0.00 C ATOM 1436 CG2 VAL A 96 2.569 1.741 2.554 1.00 0.00 C ATOM 0 H VAL A 96 0.170 4.495 2.656 1.00 0.00 H new ATOM 0 HA VAL A 96 0.782 2.218 4.163 1.00 0.00 H new ATOM 0 HB VAL A 96 1.911 3.719 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.299 3.829 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.325 4.939 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.924 3.415 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.357 1.719 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.894 1.189 3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.668 1.280 2.150 1.00 0.00 H new ATOM 1446 N GLU A 97 1.695 5.044 5.555 1.00 0.00 N ATOM 1447 CA GLU A 97 2.192 5.623 6.800 1.00 0.00 C ATOM 1448 C GLU A 97 1.218 5.370 7.944 1.00 0.00 C ATOM 1449 O GLU A 97 1.615 5.291 9.106 1.00 0.00 O ATOM 1450 CB GLU A 97 2.426 7.127 6.641 1.00 0.00 C ATOM 1451 CG GLU A 97 1.146 7.946 6.639 1.00 0.00 C ATOM 1452 CD GLU A 97 -0.097 7.086 6.762 1.00 0.00 C ATOM 1453 OE1 GLU A 97 0.046 5.865 6.982 1.00 0.00 O ATOM 1454 OE2 GLU A 97 -1.213 7.634 6.640 1.00 0.00 O ATOM 0 H GLU A 97 1.356 5.725 4.876 1.00 0.00 H new ATOM 0 HA GLU A 97 3.141 5.141 7.036 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.068 7.474 7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.963 7.306 5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.174 8.658 7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.092 8.527 5.718 1.00 0.00 H new ATOM 1461 N HIS A 98 -0.061 5.247 7.607 1.00 0.00 N ATOM 1462 CA HIS A 98 -1.095 5.005 8.606 1.00 0.00 C ATOM 1463 C HIS A 98 -0.785 3.756 9.425 1.00 0.00 C ATOM 1464 O HIS A 98 -1.037 3.713 10.629 1.00 0.00 O ATOM 1465 CB HIS A 98 -2.460 4.860 7.933 1.00 0.00 C ATOM 1466 CG HIS A 98 -3.562 5.567 8.660 1.00 0.00 C ATOM 1467 ND1 HIS A 98 -3.427 6.872 9.067 1.00 0.00 N ATOM 1468 CD2 HIS A 98 -4.783 5.111 9.027 1.00 0.00 C ATOM 1469 CE1 HIS A 98 -4.562 7.180 9.668 1.00 0.00 C ATOM 1470 NE2 HIS A 98 -5.415 6.145 9.669 1.00 0.00 N ATOM 0 HA HIS A 98 -1.117 5.861 9.280 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -2.398 5.248 6.916 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -2.707 3.801 7.855 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -5.182 4.123 8.849 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -4.776 8.145 10.104 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -6.353 6.130 10.070 1.00 0.00 H new ATOM 1478 N GLY A 99 -0.238 2.740 8.765 1.00 0.00 N ATOM 1479 CA GLY A 99 0.094 1.508 9.448 1.00 0.00 C ATOM 1480 C GLY A 99 0.244 0.335 8.498 1.00 0.00 C ATOM 1481 O GLY A 99 0.860 -0.673 8.844 1.00 0.00 O ATOM 0 H GLY A 99 -0.020 2.750 7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.023 1.643 10.002 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.682 1.282 10.179 1.00 0.00 H new ATOM 1485 N ALA A 100 -0.323 0.466 7.301 1.00 0.00 N ATOM 1486 CA ALA A 100 -0.254 -0.591 6.299 1.00 0.00 C ATOM 1487 C ALA A 100 1.067 -1.350 6.386 1.00 0.00 C ATOM 1488 O ALA A 100 2.135 -0.787 6.146 1.00 0.00 O ATOM 1489 CB ALA A 100 -0.437 -0.008 4.906 1.00 0.00 C ATOM 0 H ALA A 100 -0.836 1.296 7.002 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.061 -1.297 6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.383 -0.807 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.409 0.481 4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.350 0.720 4.710 1.00 0.00 H new ATOM 1495 N ASP A 101 0.985 -2.630 6.734 1.00 0.00 N ATOM 1496 CA ASP A 101 2.173 -3.467 6.857 1.00 0.00 C ATOM 1497 C ASP A 101 3.068 -3.324 5.630 1.00 0.00 C ATOM 1498 O ASP A 101 2.694 -3.717 4.526 1.00 0.00 O ATOM 1499 CB ASP A 101 1.772 -4.931 7.043 1.00 0.00 C ATOM 1500 CG ASP A 101 0.538 -5.299 6.241 1.00 0.00 C ATOM 1501 OD1 ASP A 101 0.079 -4.458 5.439 1.00 0.00 O ATOM 1502 OD2 ASP A 101 0.033 -6.428 6.413 1.00 0.00 O ATOM 0 H ASP A 101 0.108 -3.110 6.936 1.00 0.00 H new ATOM 0 HA ASP A 101 2.732 -3.136 7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.601 -5.573 6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.586 -5.122 8.100 1.00 0.00 H new ATOM 1507 N VAL A 102 4.253 -2.758 5.834 1.00 0.00 N ATOM 1508 CA VAL A 102 5.204 -2.561 4.747 1.00 0.00 C ATOM 1509 C VAL A 102 6.362 -3.548 4.844 1.00 0.00 C ATOM 1510 O VAL A 102 7.466 -3.272 4.375 1.00 0.00 O ATOM 1511 CB VAL A 102 5.766 -1.126 4.747 1.00 0.00 C ATOM 1512 CG1 VAL A 102 4.636 -0.110 4.821 1.00 0.00 C ATOM 1513 CG2 VAL A 102 6.741 -0.935 5.898 1.00 0.00 C ATOM 0 H VAL A 102 4.577 -2.428 6.743 1.00 0.00 H new ATOM 0 HA VAL A 102 4.662 -2.732 3.817 1.00 0.00 H new ATOM 0 HB VAL A 102 6.306 -0.966 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.052 0.898 4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.980 -0.232 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.066 -0.266 5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.128 0.084 5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.228 -1.114 6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.567 -1.638 5.795 1.00 0.00 H new ATOM 1523 N ASN A 103 6.103 -4.699 5.455 1.00 0.00 N ATOM 1524 CA ASN A 103 7.125 -5.728 5.613 1.00 0.00 C ATOM 1525 C ASN A 103 6.667 -7.049 5.004 1.00 0.00 C ATOM 1526 O ASN A 103 7.468 -7.793 4.438 1.00 0.00 O ATOM 1527 CB ASN A 103 7.457 -5.923 7.094 1.00 0.00 C ATOM 1528 CG ASN A 103 7.173 -4.685 7.919 1.00 0.00 C ATOM 1529 OD1 ASN A 103 7.772 -3.564 7.532 1.00 0.00 O flip ATOM 1530 ND2 ASN A 103 6.422 -4.733 8.894 1.00 0.00 N flip ATOM 0 H ASN A 103 5.194 -4.943 5.849 1.00 0.00 H new ATOM 0 HA ASN A 103 8.021 -5.398 5.087 1.00 0.00 H new ATOM 0 HB2 ASN A 103 6.877 -6.758 7.486 1.00 0.00 H new ATOM 0 HB3 ASN A 103 8.509 -6.190 7.195 1.00 0.00 H new ATOM 0 HD21 ASN A 103 5.983 -5.615 9.156 1.00 0.00 H new ATOM 0 HD22 ASN A 103 6.239 -3.890 9.439 1.00 0.00 H new ATOM 1537 N ALA A 104 5.375 -7.336 5.122 1.00 0.00 N ATOM 1538 CA ALA A 104 4.813 -8.568 4.582 1.00 0.00 C ATOM 1539 C ALA A 104 5.371 -8.863 3.194 1.00 0.00 C ATOM 1540 O ALA A 104 5.642 -7.949 2.415 1.00 0.00 O ATOM 1541 CB ALA A 104 3.294 -8.480 4.536 1.00 0.00 C ATOM 0 H ALA A 104 4.697 -6.732 5.587 1.00 0.00 H new ATOM 0 HA ALA A 104 5.098 -9.388 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.888 -9.407 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.908 -8.325 5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.997 -7.645 3.901 1.00 0.00 H new ATOM 1547 N LEU A 105 5.540 -10.146 2.892 1.00 0.00 N ATOM 1548 CA LEU A 105 6.068 -10.564 1.599 1.00 0.00 C ATOM 1549 C LEU A 105 5.103 -11.519 0.901 1.00 0.00 C ATOM 1550 O LEU A 105 3.893 -11.458 1.114 1.00 0.00 O ATOM 1551 CB LEU A 105 7.432 -11.234 1.774 1.00 0.00 C ATOM 1552 CG LEU A 105 8.218 -10.794 3.010 1.00 0.00 C ATOM 1553 CD1 LEU A 105 9.022 -11.956 3.571 1.00 0.00 C ATOM 1554 CD2 LEU A 105 9.130 -9.624 2.672 1.00 0.00 C ATOM 0 H LEU A 105 5.319 -10.914 3.525 1.00 0.00 H new ATOM 0 HA LEU A 105 6.185 -9.676 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.286 -12.313 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 105 8.035 -11.032 0.889 1.00 0.00 H new ATOM 0 HG LEU A 105 7.510 -10.468 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.575 -11.625 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.346 -12.764 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 105 9.722 -12.313 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.682 -9.324 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.832 -9.923 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.530 -8.786 2.317 1.00 0.00 H new ATOM 1566 N ASP A 106 5.648 -12.401 0.068 1.00 0.00 N ATOM 1567 CA ASP A 106 4.841 -13.367 -0.658 1.00 0.00 C ATOM 1568 C ASP A 106 5.541 -14.720 -0.719 1.00 0.00 C ATOM 1569 O ASP A 106 5.195 -15.644 0.017 1.00 0.00 O ATOM 1570 CB ASP A 106 4.551 -12.860 -2.072 1.00 0.00 C ATOM 1571 CG ASP A 106 3.791 -13.872 -2.906 1.00 0.00 C ATOM 1572 OD1 ASP A 106 4.237 -15.037 -2.977 1.00 0.00 O ATOM 1573 OD2 ASP A 106 2.752 -13.500 -3.490 1.00 0.00 O ATOM 0 H ASP A 106 6.649 -12.464 -0.119 1.00 0.00 H new ATOM 0 HA ASP A 106 3.897 -13.491 -0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.975 -11.937 -2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 106 5.491 -12.618 -2.568 1.00 0.00 H new ATOM 1578 N SER A 107 6.532 -14.827 -1.598 1.00 0.00 N ATOM 1579 CA SER A 107 7.286 -16.065 -1.753 1.00 0.00 C ATOM 1580 C SER A 107 8.784 -15.803 -1.652 1.00 0.00 C ATOM 1581 O SER A 107 9.469 -16.372 -0.802 1.00 0.00 O ATOM 1582 CB SER A 107 6.958 -16.724 -3.094 1.00 0.00 C ATOM 1583 OG SER A 107 8.102 -17.352 -3.647 1.00 0.00 O ATOM 0 H SER A 107 6.831 -14.071 -2.214 1.00 0.00 H new ATOM 0 HA SER A 107 6.998 -16.741 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 107 6.166 -17.460 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 107 6.580 -15.974 -3.788 1.00 0.00 H new ATOM 0 HG SER A 107 7.866 -17.767 -4.503 1.00 0.00 H new ATOM 1589 N THR A 108 9.287 -14.934 -2.523 1.00 0.00 N ATOM 1590 CA THR A 108 10.704 -14.594 -2.530 1.00 0.00 C ATOM 1591 C THR A 108 11.102 -13.915 -1.223 1.00 0.00 C ATOM 1592 O THR A 108 12.286 -13.751 -0.931 1.00 0.00 O ATOM 1593 CB THR A 108 11.026 -13.680 -3.713 1.00 0.00 C ATOM 1594 OG1 THR A 108 9.837 -13.184 -4.302 1.00 0.00 O ATOM 1595 CG2 THR A 108 11.823 -14.369 -4.800 1.00 0.00 C ATOM 0 H THR A 108 8.734 -14.453 -3.232 1.00 0.00 H new ATOM 0 HA THR A 108 11.275 -15.517 -2.630 1.00 0.00 H new ATOM 0 HB THR A 108 11.628 -12.872 -3.298 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.064 -12.600 -5.056 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.018 -13.666 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 108 12.769 -14.721 -4.390 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.256 -15.217 -5.185 1.00 0.00 H new ATOM 1603 N GLY A 109 10.103 -13.520 -0.440 1.00 0.00 N ATOM 1604 CA GLY A 109 10.366 -12.863 0.827 1.00 0.00 C ATOM 1605 C GLY A 109 10.873 -11.446 0.647 1.00 0.00 C ATOM 1606 O GLY A 109 11.443 -10.861 1.569 1.00 0.00 O ATOM 0 H GLY A 109 9.115 -13.643 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.453 -12.847 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 109 11.101 -13.441 1.387 1.00 0.00 H new ATOM 1610 N SER A 110 10.667 -10.894 -0.543 1.00 0.00 N ATOM 1611 CA SER A 110 11.107 -9.538 -0.846 1.00 0.00 C ATOM 1612 C SER A 110 10.166 -8.506 -0.231 1.00 0.00 C ATOM 1613 O SER A 110 8.965 -8.510 -0.498 1.00 0.00 O ATOM 1614 CB SER A 110 11.185 -9.332 -2.359 1.00 0.00 C ATOM 1615 OG SER A 110 12.160 -8.359 -2.693 1.00 0.00 O ATOM 0 H SER A 110 10.197 -11.366 -1.315 1.00 0.00 H new ATOM 0 HA SER A 110 12.098 -9.402 -0.413 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.428 -10.277 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.211 -9.020 -2.737 1.00 0.00 H new ATOM 0 HG SER A 110 12.191 -8.248 -3.666 1.00 0.00 H new ATOM 1621 N LEU A 111 10.724 -7.623 0.591 1.00 0.00 N ATOM 1622 CA LEU A 111 9.936 -6.582 1.242 1.00 0.00 C ATOM 1623 C LEU A 111 9.489 -5.530 0.233 1.00 0.00 C ATOM 1624 O LEU A 111 10.097 -5.372 -0.825 1.00 0.00 O ATOM 1625 CB LEU A 111 10.752 -5.921 2.355 1.00 0.00 C ATOM 1626 CG LEU A 111 10.101 -5.949 3.739 1.00 0.00 C ATOM 1627 CD1 LEU A 111 10.520 -7.197 4.500 1.00 0.00 C ATOM 1628 CD2 LEU A 111 10.465 -4.697 4.523 1.00 0.00 C ATOM 0 H LEU A 111 11.717 -7.607 0.822 1.00 0.00 H new ATOM 0 HA LEU A 111 9.050 -7.046 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.722 -6.415 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.940 -4.883 2.080 1.00 0.00 H new ATOM 0 HG LEU A 111 9.019 -5.973 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 111 10.047 -7.200 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.210 -8.083 3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.603 -7.204 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 111 9.994 -4.733 5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.547 -4.644 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 111 10.115 -3.816 3.985 1.00 0.00 H new ATOM 1640 N PRO A 112 8.418 -4.791 0.556 1.00 0.00 N ATOM 1641 CA PRO A 112 7.887 -3.745 -0.321 1.00 0.00 C ATOM 1642 C PRO A 112 8.978 -2.806 -0.821 1.00 0.00 C ATOM 1643 O PRO A 112 8.963 -2.376 -1.974 1.00 0.00 O ATOM 1644 CB PRO A 112 6.906 -2.998 0.581 1.00 0.00 C ATOM 1645 CG PRO A 112 6.460 -4.016 1.573 1.00 0.00 C ATOM 1646 CD PRO A 112 7.642 -4.918 1.803 1.00 0.00 C ATOM 0 HA PRO A 112 7.430 -4.154 -1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.384 -2.150 1.071 1.00 0.00 H new ATOM 0 HB3 PRO A 112 6.064 -2.604 0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 112 6.144 -3.542 2.503 1.00 0.00 H new ATOM 0 HG3 PRO A 112 5.607 -4.580 1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.223 -4.606 2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.333 -5.948 1.980 1.00 0.00 H new ATOM 1654 N ILE A 113 9.927 -2.491 0.056 1.00 0.00 N ATOM 1655 CA ILE A 113 11.029 -1.605 -0.295 1.00 0.00 C ATOM 1656 C ILE A 113 11.980 -2.276 -1.278 1.00 0.00 C ATOM 1657 O ILE A 113 12.457 -1.647 -2.223 1.00 0.00 O ATOM 1658 CB ILE A 113 11.824 -1.176 0.953 1.00 0.00 C ATOM 1659 CG1 ILE A 113 12.857 -0.108 0.585 1.00 0.00 C ATOM 1660 CG2 ILE A 113 12.501 -2.382 1.587 1.00 0.00 C ATOM 1661 CD1 ILE A 113 14.001 -0.009 1.571 1.00 0.00 C ATOM 0 H ILE A 113 9.954 -2.837 1.015 1.00 0.00 H new ATOM 0 HA ILE A 113 10.589 -0.723 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 113 11.132 -0.748 1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 113 13.258 -0.328 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 113 12.360 0.860 0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.059 -2.065 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.746 -3.111 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 113 13.184 -2.835 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 113 14.694 0.767 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 113 13.611 0.241 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 113 14.523 -0.964 1.619 1.00 0.00 H new ATOM 1673 N HIS A 114 12.251 -3.557 -1.051 1.00 0.00 N ATOM 1674 CA HIS A 114 13.144 -4.314 -1.921 1.00 0.00 C ATOM 1675 C HIS A 114 12.708 -4.191 -3.376 1.00 0.00 C ATOM 1676 O HIS A 114 13.539 -4.102 -4.280 1.00 0.00 O ATOM 1677 CB HIS A 114 13.172 -5.786 -1.506 1.00 0.00 C ATOM 1678 CG HIS A 114 14.019 -6.055 -0.301 1.00 0.00 C ATOM 1679 ND1 HIS A 114 13.488 -6.604 0.840 1.00 0.00 N ATOM 1680 CD2 HIS A 114 15.343 -5.832 -0.111 1.00 0.00 C ATOM 1681 CE1 HIS A 114 14.490 -6.706 1.694 1.00 0.00 C ATOM 1682 NE2 HIS A 114 15.635 -6.251 1.163 1.00 0.00 N ATOM 0 H HIS A 114 11.866 -4.092 -0.273 1.00 0.00 H new ATOM 0 HA HIS A 114 14.148 -3.900 -1.822 1.00 0.00 H new ATOM 0 HB2 HIS A 114 12.153 -6.117 -1.304 1.00 0.00 H new ATOM 0 HB3 HIS A 114 13.542 -6.383 -2.340 1.00 0.00 H new ATOM 0 HD2 HIS A 114 16.034 -5.407 -0.824 1.00 0.00 H new ATOM 0 HE1 HIS A 114 14.399 -7.105 2.693 1.00 0.00 H new ATOM 0 HE2 HIS A 114 16.547 -6.222 1.619 1.00 0.00 H new ATOM 1690 N LEU A 115 11.397 -4.184 -3.594 1.00 0.00 N ATOM 1691 CA LEU A 115 10.847 -4.066 -4.938 1.00 0.00 C ATOM 1692 C LEU A 115 11.021 -2.648 -5.465 1.00 0.00 C ATOM 1693 O LEU A 115 11.516 -2.445 -6.574 1.00 0.00 O ATOM 1694 CB LEU A 115 9.365 -4.449 -4.943 1.00 0.00 C ATOM 1695 CG LEU A 115 9.000 -5.638 -4.050 1.00 0.00 C ATOM 1696 CD1 LEU A 115 7.492 -5.826 -4.001 1.00 0.00 C ATOM 1697 CD2 LEU A 115 9.683 -6.903 -4.545 1.00 0.00 C ATOM 0 H LEU A 115 10.696 -4.259 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 115 11.390 -4.750 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 115 8.781 -3.584 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.068 -4.678 -5.966 1.00 0.00 H new ATOM 0 HG LEU A 115 9.351 -5.431 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.252 -6.676 -3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.026 -4.926 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 115 7.116 -6.011 -5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.413 -7.739 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.362 -7.114 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.764 -6.764 -4.526 1.00 0.00 H new ATOM 1709 N ALA A 116 10.619 -1.671 -4.661 1.00 0.00 N ATOM 1710 CA ALA A 116 10.740 -0.272 -5.046 1.00 0.00 C ATOM 1711 C ALA A 116 12.168 0.048 -5.467 1.00 0.00 C ATOM 1712 O ALA A 116 12.393 0.822 -6.398 1.00 0.00 O ATOM 1713 CB ALA A 116 10.307 0.631 -3.901 1.00 0.00 C ATOM 0 H ALA A 116 10.207 -1.822 -3.740 1.00 0.00 H new ATOM 0 HA ALA A 116 10.084 -0.091 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 116 10.403 1.674 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.268 0.422 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 116 10.939 0.446 -3.032 1.00 0.00 H new ATOM 1719 N ILE A 117 13.131 -0.559 -4.778 1.00 0.00 N ATOM 1720 CA ILE A 117 14.539 -0.344 -5.083 1.00 0.00 C ATOM 1721 C ILE A 117 14.870 -0.827 -6.489 1.00 0.00 C ATOM 1722 O ILE A 117 15.563 -0.145 -7.244 1.00 0.00 O ATOM 1723 CB ILE A 117 15.453 -1.068 -4.077 1.00 0.00 C ATOM 1724 CG1 ILE A 117 15.307 -0.448 -2.685 1.00 0.00 C ATOM 1725 CG2 ILE A 117 16.900 -1.013 -4.541 1.00 0.00 C ATOM 1726 CD1 ILE A 117 15.922 -1.283 -1.584 1.00 0.00 C ATOM 0 H ILE A 117 12.960 -1.203 -4.006 1.00 0.00 H new ATOM 0 HA ILE A 117 14.718 0.729 -5.014 1.00 0.00 H new ATOM 0 HB ILE A 117 15.151 -2.114 -4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 117 15.772 0.538 -2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 117 14.248 -0.302 -2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 117 17.533 -1.529 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 117 16.989 -1.497 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 117 17.216 0.027 -4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 117 15.781 -0.783 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 117 15.441 -2.261 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 117 16.988 -1.408 -1.774 1.00 0.00 H new ATOM 1738 N ARG A 118 14.369 -2.008 -6.837 1.00 0.00 N ATOM 1739 CA ARG A 118 14.610 -2.575 -8.156 1.00 0.00 C ATOM 1740 C ARG A 118 13.803 -1.836 -9.218 1.00 0.00 C ATOM 1741 O ARG A 118 14.003 -2.037 -10.416 1.00 0.00 O ATOM 1742 CB ARG A 118 14.256 -4.063 -8.167 1.00 0.00 C ATOM 1743 CG ARG A 118 12.762 -4.333 -8.115 1.00 0.00 C ATOM 1744 CD ARG A 118 12.371 -5.475 -9.035 1.00 0.00 C ATOM 1745 NE ARG A 118 11.844 -6.617 -8.295 1.00 0.00 N ATOM 1746 CZ ARG A 118 12.586 -7.390 -7.509 1.00 0.00 C ATOM 1747 NH1 ARG A 118 13.882 -7.148 -7.370 1.00 0.00 N ATOM 1748 NH2 ARG A 118 12.032 -8.405 -6.859 1.00 0.00 N ATOM 0 H ARG A 118 13.795 -2.588 -6.225 1.00 0.00 H new ATOM 0 HA ARG A 118 15.669 -2.462 -8.387 1.00 0.00 H new ATOM 0 HB2 ARG A 118 14.668 -4.519 -9.067 1.00 0.00 H new ATOM 0 HB3 ARG A 118 14.734 -4.548 -7.316 1.00 0.00 H new ATOM 0 HG2 ARG A 118 12.470 -4.572 -7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.218 -3.432 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 118 11.622 -5.127 -9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 118 13.240 -5.788 -9.614 1.00 0.00 H new ATOM 0 HE ARG A 118 10.851 -6.834 -8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 118 14.311 -6.367 -7.867 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.450 -7.742 -6.766 1.00 0.00 H new ATOM 0 HH21 ARG A 118 11.035 -8.593 -6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 118 12.603 -8.997 -6.256 1.00 0.00 H new ATOM 1762 N GLU A 119 12.892 -0.975 -8.771 1.00 0.00 N ATOM 1763 CA GLU A 119 12.058 -0.200 -9.681 1.00 0.00 C ATOM 1764 C GLU A 119 12.705 1.146 -9.990 1.00 0.00 C ATOM 1765 O GLU A 119 12.967 1.468 -11.149 1.00 0.00 O ATOM 1766 CB GLU A 119 10.667 0.014 -9.079 1.00 0.00 C ATOM 1767 CG GLU A 119 9.534 -0.234 -10.062 1.00 0.00 C ATOM 1768 CD GLU A 119 8.908 -1.604 -9.899 1.00 0.00 C ATOM 1769 OE1 GLU A 119 9.404 -2.388 -9.062 1.00 0.00 O ATOM 1770 OE2 GLU A 119 7.922 -1.894 -10.607 1.00 0.00 O ATOM 0 H GLU A 119 12.714 -0.797 -7.783 1.00 0.00 H new ATOM 0 HA GLU A 119 11.958 -0.760 -10.611 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.545 -0.649 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.595 1.035 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.768 0.529 -9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.912 -0.130 -11.079 1.00 0.00 H new ATOM 1777 N GLY A 120 12.964 1.927 -8.946 1.00 0.00 N ATOM 1778 CA GLY A 120 13.583 3.227 -9.130 1.00 0.00 C ATOM 1779 C GLY A 120 12.579 4.363 -9.128 1.00 0.00 C ATOM 1780 O GLY A 120 12.682 5.290 -9.931 1.00 0.00 O ATOM 0 H GLY A 120 12.757 1.683 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 120 14.313 3.392 -8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 120 14.130 3.233 -10.073 1.00 0.00 H new ATOM 1784 N HIS A 121 11.607 4.295 -8.224 1.00 0.00 N ATOM 1785 CA HIS A 121 10.587 5.333 -8.125 1.00 0.00 C ATOM 1786 C HIS A 121 11.097 6.521 -7.313 1.00 0.00 C ATOM 1787 O HIS A 121 10.393 7.516 -7.143 1.00 0.00 O ATOM 1788 CB HIS A 121 9.314 4.771 -7.487 1.00 0.00 C ATOM 1789 CG HIS A 121 8.316 4.268 -8.483 1.00 0.00 C ATOM 1790 ND1 HIS A 121 7.845 5.070 -9.494 1.00 0.00 N ATOM 1791 CD2 HIS A 121 7.734 3.048 -8.578 1.00 0.00 C ATOM 1792 CE1 HIS A 121 6.994 4.328 -10.178 1.00 0.00 C ATOM 1793 NE2 HIS A 121 6.893 3.093 -9.660 1.00 0.00 N ATOM 0 H HIS A 121 11.504 3.535 -7.552 1.00 0.00 H new ATOM 0 HA HIS A 121 10.356 5.677 -9.133 1.00 0.00 H new ATOM 0 HB2 HIS A 121 9.584 3.958 -6.813 1.00 0.00 H new ATOM 0 HB3 HIS A 121 8.849 5.547 -6.879 1.00 0.00 H new ATOM 0 HD2 HIS A 121 7.901 2.203 -7.927 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.448 4.671 -11.045 1.00 0.00 H new ATOM 0 HE2 HIS A 121 6.304 2.335 -10.005 1.00 0.00 H new ATOM 1801 N SER A 122 12.325 6.410 -6.814 1.00 0.00 N ATOM 1802 CA SER A 122 12.927 7.475 -6.021 1.00 0.00 C ATOM 1803 C SER A 122 12.180 7.660 -4.706 1.00 0.00 C ATOM 1804 O SER A 122 12.597 7.153 -3.665 1.00 0.00 O ATOM 1805 CB SER A 122 12.930 8.786 -6.808 1.00 0.00 C ATOM 1806 OG SER A 122 14.152 8.960 -7.506 1.00 0.00 O ATOM 0 H SER A 122 12.922 5.593 -6.945 1.00 0.00 H new ATOM 0 HA SER A 122 13.956 7.192 -5.798 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.100 8.791 -7.515 1.00 0.00 H new ATOM 0 HB3 SER A 122 12.774 9.623 -6.127 1.00 0.00 H new ATOM 0 HG SER A 122 14.275 8.222 -8.139 1.00 0.00 H new ATOM 1812 N SER A 123 11.074 8.392 -4.760 1.00 0.00 N ATOM 1813 CA SER A 123 10.268 8.646 -3.574 1.00 0.00 C ATOM 1814 C SER A 123 9.865 7.339 -2.897 1.00 0.00 C ATOM 1815 O SER A 123 10.081 7.159 -1.701 1.00 0.00 O ATOM 1816 CB SER A 123 9.020 9.449 -3.943 1.00 0.00 C ATOM 1817 OG SER A 123 9.238 10.224 -5.110 1.00 0.00 O ATOM 0 H SER A 123 10.715 8.820 -5.613 1.00 0.00 H new ATOM 0 HA SER A 123 10.871 9.225 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.182 8.771 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 123 8.746 10.102 -3.115 1.00 0.00 H new ATOM 0 HG SER A 123 8.425 10.727 -5.326 1.00 0.00 H new ATOM 1823 N VAL A 124 9.277 6.432 -3.671 1.00 0.00 N ATOM 1824 CA VAL A 124 8.842 5.143 -3.142 1.00 0.00 C ATOM 1825 C VAL A 124 9.992 4.404 -2.465 1.00 0.00 C ATOM 1826 O VAL A 124 9.926 4.092 -1.275 1.00 0.00 O ATOM 1827 CB VAL A 124 8.251 4.252 -4.251 1.00 0.00 C ATOM 1828 CG1 VAL A 124 8.059 2.830 -3.748 1.00 0.00 C ATOM 1829 CG2 VAL A 124 6.937 4.829 -4.754 1.00 0.00 C ATOM 0 H VAL A 124 9.091 6.565 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 124 8.068 5.351 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 124 8.953 4.226 -5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 124 7.641 2.215 -4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 124 9.021 2.420 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.378 2.834 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 124 6.534 4.187 -5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 124 6.226 4.887 -3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.108 5.828 -5.156 1.00 0.00 H new ATOM 1839 N VAL A 125 11.041 4.119 -3.229 1.00 0.00 N ATOM 1840 CA VAL A 125 12.200 3.410 -2.701 1.00 0.00 C ATOM 1841 C VAL A 125 12.730 4.076 -1.437 1.00 0.00 C ATOM 1842 O VAL A 125 12.779 3.460 -0.372 1.00 0.00 O ATOM 1843 CB VAL A 125 13.337 3.345 -3.737 1.00 0.00 C ATOM 1844 CG1 VAL A 125 14.358 2.290 -3.344 1.00 0.00 C ATOM 1845 CG2 VAL A 125 12.782 3.073 -5.127 1.00 0.00 C ATOM 0 H VAL A 125 11.112 4.368 -4.216 1.00 0.00 H new ATOM 0 HA VAL A 125 11.866 2.400 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 125 13.839 4.312 -3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 125 15.154 2.259 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 125 14.781 2.538 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 125 13.872 1.316 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 125 13.602 3.031 -5.844 1.00 0.00 H new ATOM 0 HG22 VAL A 125 12.251 2.121 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 125 12.095 3.872 -5.407 1.00 0.00 H new ATOM 1855 N SER A 126 13.133 5.336 -1.561 1.00 0.00 N ATOM 1856 CA SER A 126 13.667 6.082 -0.432 1.00 0.00 C ATOM 1857 C SER A 126 12.631 6.219 0.679 1.00 0.00 C ATOM 1858 O SER A 126 12.977 6.342 1.854 1.00 0.00 O ATOM 1859 CB SER A 126 14.138 7.464 -0.886 1.00 0.00 C ATOM 1860 OG SER A 126 13.878 8.444 0.104 1.00 0.00 O ATOM 0 H SER A 126 13.099 5.861 -2.435 1.00 0.00 H new ATOM 0 HA SER A 126 14.518 5.528 -0.035 1.00 0.00 H new ATOM 0 HB2 SER A 126 15.206 7.435 -1.101 1.00 0.00 H new ATOM 0 HB3 SER A 126 13.634 7.737 -1.813 1.00 0.00 H new ATOM 0 HG SER A 126 13.853 9.331 -0.312 1.00 0.00 H new ATOM 1866 N PHE A 127 11.363 6.197 0.299 1.00 0.00 N ATOM 1867 CA PHE A 127 10.273 6.318 1.261 1.00 0.00 C ATOM 1868 C PHE A 127 10.109 5.035 2.068 1.00 0.00 C ATOM 1869 O PHE A 127 10.066 5.063 3.299 1.00 0.00 O ATOM 1870 CB PHE A 127 8.962 6.645 0.544 1.00 0.00 C ATOM 1871 CG PHE A 127 7.768 6.641 1.454 1.00 0.00 C ATOM 1872 CD1 PHE A 127 7.839 7.215 2.718 1.00 0.00 C ATOM 1873 CD2 PHE A 127 6.571 6.063 1.046 1.00 0.00 C ATOM 1874 CE1 PHE A 127 6.737 7.213 3.559 1.00 0.00 C ATOM 1875 CE2 PHE A 127 5.465 6.060 1.882 1.00 0.00 C ATOM 1876 CZ PHE A 127 5.552 6.634 3.144 1.00 0.00 C ATOM 0 H PHE A 127 11.061 6.096 -0.670 1.00 0.00 H new ATOM 0 HA PHE A 127 10.521 7.130 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 127 9.048 7.625 0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 127 8.803 5.921 -0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 127 8.762 7.667 3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 127 6.502 5.612 0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 127 6.804 7.664 4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 127 4.539 5.613 1.553 1.00 0.00 H new ATOM 0 HZ PHE A 127 4.695 6.628 3.801 1.00 0.00 H new ATOM 1886 N LEU A 128 10.013 3.912 1.365 1.00 0.00 N ATOM 1887 CA LEU A 128 9.847 2.615 2.012 1.00 0.00 C ATOM 1888 C LEU A 128 11.092 2.229 2.805 1.00 0.00 C ATOM 1889 O LEU A 128 11.092 1.235 3.531 1.00 0.00 O ATOM 1890 CB LEU A 128 9.540 1.540 0.967 1.00 0.00 C ATOM 1891 CG LEU A 128 8.356 0.632 1.299 1.00 0.00 C ATOM 1892 CD1 LEU A 128 8.781 -0.459 2.269 1.00 0.00 C ATOM 1893 CD2 LEU A 128 7.205 1.444 1.876 1.00 0.00 C ATOM 0 H LEU A 128 10.047 3.873 0.346 1.00 0.00 H new ATOM 0 HA LEU A 128 9.011 2.691 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 128 9.347 2.028 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 128 10.427 0.920 0.834 1.00 0.00 H new ATOM 0 HG LEU A 128 8.013 0.160 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 128 7.927 -1.097 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 128 9.572 -1.058 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 128 9.149 -0.005 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 128 6.371 0.781 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 128 7.533 1.944 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 128 6.885 2.190 1.148 1.00 0.00 H new ATOM 1905 N ALA A 129 12.152 3.019 2.664 1.00 0.00 N ATOM 1906 CA ALA A 129 13.398 2.753 3.371 1.00 0.00 C ATOM 1907 C ALA A 129 13.183 2.728 4.880 1.00 0.00 C ATOM 1908 O ALA A 129 13.265 1.676 5.513 1.00 0.00 O ATOM 1909 CB ALA A 129 14.447 3.792 3.004 1.00 0.00 C ATOM 0 H ALA A 129 12.172 3.846 2.068 1.00 0.00 H new ATOM 0 HA ALA A 129 13.753 1.769 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 129 15.372 3.580 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 129 14.633 3.757 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 129 14.088 4.784 3.278 1.00 0.00 H new ATOM 1915 N PRO A 130 12.902 3.897 5.477 1.00 0.00 N ATOM 1916 CA PRO A 130 12.674 4.015 6.920 1.00 0.00 C ATOM 1917 C PRO A 130 11.356 3.383 7.356 1.00 0.00 C ATOM 1918 O PRO A 130 11.224 2.921 8.490 1.00 0.00 O ATOM 1919 CB PRO A 130 12.645 5.526 7.153 1.00 0.00 C ATOM 1920 CG PRO A 130 12.218 6.102 5.847 1.00 0.00 C ATOM 1921 CD PRO A 130 12.788 5.196 4.788 1.00 0.00 C ATOM 0 HA PRO A 130 13.440 3.495 7.495 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.949 5.791 7.949 1.00 0.00 H new ATOM 0 HB3 PRO A 130 13.625 5.900 7.449 1.00 0.00 H new ATOM 0 HG2 PRO A 130 11.131 6.148 5.777 1.00 0.00 H new ATOM 0 HG3 PRO A 130 12.588 7.120 5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 130 12.134 5.134 3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 130 13.756 5.550 4.435 1.00 0.00 H new ATOM 1929 N GLU A 131 10.383 3.368 6.451 1.00 0.00 N ATOM 1930 CA GLU A 131 9.076 2.792 6.746 1.00 0.00 C ATOM 1931 C GLU A 131 9.173 1.280 6.916 1.00 0.00 C ATOM 1932 O GLU A 131 8.280 0.650 7.483 1.00 0.00 O ATOM 1933 CB GLU A 131 8.082 3.129 5.632 1.00 0.00 C ATOM 1934 CG GLU A 131 7.659 4.588 5.614 1.00 0.00 C ATOM 1935 CD GLU A 131 6.170 4.766 5.839 1.00 0.00 C ATOM 1936 OE1 GLU A 131 5.499 3.771 6.185 1.00 0.00 O ATOM 1937 OE2 GLU A 131 5.676 5.902 5.671 1.00 0.00 O ATOM 0 H GLU A 131 10.474 3.747 5.509 1.00 0.00 H new ATOM 0 HA GLU A 131 8.721 3.223 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.528 2.877 4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 131 7.196 2.504 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 131 8.207 5.131 6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 131 7.933 5.030 4.656 1.00 0.00 H new ATOM 1944 N SER A 132 10.263 0.703 6.421 1.00 0.00 N ATOM 1945 CA SER A 132 10.480 -0.736 6.516 1.00 0.00 C ATOM 1946 C SER A 132 11.714 -1.045 7.356 1.00 0.00 C ATOM 1947 O SER A 132 12.598 -0.204 7.510 1.00 0.00 O ATOM 1948 CB SER A 132 10.636 -1.340 5.120 1.00 0.00 C ATOM 1949 OG SER A 132 9.375 -1.599 4.530 1.00 0.00 O ATOM 0 H SER A 132 11.011 1.211 5.949 1.00 0.00 H new ATOM 0 HA SER A 132 9.611 -1.179 7.003 1.00 0.00 H new ATOM 0 HB2 SER A 132 11.203 -0.658 4.487 1.00 0.00 H new ATOM 0 HB3 SER A 132 11.208 -2.266 5.183 1.00 0.00 H new ATOM 0 HG SER A 132 9.029 -2.454 4.860 1.00 0.00 H new ATOM 1955 N ASP A 133 11.768 -2.259 7.895 1.00 0.00 N ATOM 1956 CA ASP A 133 12.898 -2.678 8.716 1.00 0.00 C ATOM 1957 C ASP A 133 14.215 -2.257 8.074 1.00 0.00 C ATOM 1958 O ASP A 133 14.578 -2.744 7.003 1.00 0.00 O ATOM 1959 CB ASP A 133 12.877 -4.195 8.916 1.00 0.00 C ATOM 1960 CG ASP A 133 12.021 -4.902 7.885 1.00 0.00 C ATOM 1961 OD1 ASP A 133 11.559 -4.233 6.937 1.00 0.00 O ATOM 1962 OD2 ASP A 133 11.811 -6.125 8.026 1.00 0.00 O ATOM 0 H ASP A 133 11.044 -2.968 7.778 1.00 0.00 H new ATOM 0 HA ASP A 133 12.812 -2.191 9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 133 13.896 -4.580 8.864 1.00 0.00 H new ATOM 0 HB3 ASP A 133 12.501 -4.422 9.914 1.00 0.00 H new ATOM 1967 N LEU A 134 14.926 -1.348 8.732 1.00 0.00 N ATOM 1968 CA LEU A 134 16.199 -0.861 8.225 1.00 0.00 C ATOM 1969 C LEU A 134 17.342 -1.781 8.646 1.00 0.00 C ATOM 1970 O LEU A 134 18.405 -1.318 9.059 1.00 0.00 O ATOM 1971 CB LEU A 134 16.454 0.559 8.735 1.00 0.00 C ATOM 1972 CG LEU A 134 15.942 1.682 7.827 1.00 0.00 C ATOM 1973 CD1 LEU A 134 16.599 3.003 8.195 1.00 0.00 C ATOM 1974 CD2 LEU A 134 16.195 1.347 6.364 1.00 0.00 C ATOM 0 H LEU A 134 14.640 -0.934 9.619 1.00 0.00 H new ATOM 0 HA LEU A 134 16.153 -0.850 7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 134 15.988 0.665 9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 134 17.527 0.689 8.877 1.00 0.00 H new ATOM 0 HG LEU A 134 14.866 1.779 7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 134 16.225 3.790 7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 134 16.365 3.250 9.231 1.00 0.00 H new ATOM 0 HD13 LEU A 134 17.679 2.917 8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 134 15.824 2.157 5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 134 17.265 1.221 6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 134 15.677 0.423 6.108 1.00 0.00 H new ATOM 1986 N HIS A 135 17.116 -3.087 8.537 1.00 0.00 N ATOM 1987 CA HIS A 135 18.126 -4.072 8.906 1.00 0.00 C ATOM 1988 C HIS A 135 17.683 -5.481 8.519 1.00 0.00 C ATOM 1989 O HIS A 135 18.051 -6.459 9.168 1.00 0.00 O ATOM 1990 CB HIS A 135 18.407 -4.009 10.409 1.00 0.00 C ATOM 1991 CG HIS A 135 19.842 -3.742 10.740 1.00 0.00 C ATOM 1992 ND1 HIS A 135 20.205 -2.714 11.574 1.00 0.00 N ATOM 1993 CD2 HIS A 135 20.958 -4.392 10.327 1.00 0.00 C ATOM 1994 CE1 HIS A 135 21.523 -2.759 11.652 1.00 0.00 C ATOM 1995 NE2 HIS A 135 22.025 -3.760 10.912 1.00 0.00 N ATOM 0 H HIS A 135 16.242 -3.487 8.196 1.00 0.00 H new ATOM 0 HA HIS A 135 19.040 -3.836 8.362 1.00 0.00 H new ATOM 0 HB2 HIS A 135 17.789 -3.229 10.853 1.00 0.00 H new ATOM 0 HB3 HIS A 135 18.107 -4.952 10.866 1.00 0.00 H new ATOM 0 HD2 HIS A 135 20.999 -5.244 9.664 1.00 0.00 H new ATOM 0 HE1 HIS A 135 22.121 -2.076 12.237 1.00 0.00 H new ATOM 0 HE2 HIS A 135 23.010 -4.003 10.805 1.00 0.00 H new ATOM 2003 N HIS A 136 16.892 -5.575 7.455 1.00 0.00 N ATOM 2004 CA HIS A 136 16.398 -6.864 6.979 1.00 0.00 C ATOM 2005 C HIS A 136 16.450 -6.932 5.455 1.00 0.00 C ATOM 2006 O HIS A 136 16.432 -5.904 4.779 1.00 0.00 O ATOM 2007 CB HIS A 136 14.966 -7.097 7.463 1.00 0.00 C ATOM 2008 CG HIS A 136 14.647 -8.537 7.721 1.00 0.00 C ATOM 2009 ND1 HIS A 136 15.264 -9.238 8.728 1.00 0.00 N ATOM 2010 CD2 HIS A 136 13.778 -9.356 7.080 1.00 0.00 C ATOM 2011 CE1 HIS A 136 14.761 -10.459 8.681 1.00 0.00 C ATOM 2012 NE2 HIS A 136 13.855 -10.578 7.698 1.00 0.00 N ATOM 0 H HIS A 136 16.579 -4.775 6.906 1.00 0.00 H new ATOM 0 HA HIS A 136 17.041 -7.645 7.385 1.00 0.00 H new ATOM 0 HB2 HIS A 136 14.804 -6.528 8.378 1.00 0.00 H new ATOM 0 HB3 HIS A 136 14.272 -6.708 6.718 1.00 0.00 H new ATOM 0 HD2 HIS A 136 13.146 -9.096 6.243 1.00 0.00 H new ATOM 0 HE1 HIS A 136 15.043 -11.260 9.349 1.00 0.00 H new ATOM 0 HE2 HIS A 136 13.326 -11.416 7.457 1.00 0.00 H new ATOM 2020 N ARG A 137 16.515 -8.148 4.922 1.00 0.00 N ATOM 2021 CA ARG A 137 16.569 -8.345 3.478 1.00 0.00 C ATOM 2022 C ARG A 137 15.534 -9.370 3.028 1.00 0.00 C ATOM 2023 O ARG A 137 14.700 -9.814 3.818 1.00 0.00 O ATOM 2024 CB ARG A 137 17.969 -8.796 3.047 1.00 0.00 C ATOM 2025 CG ARG A 137 18.954 -8.932 4.198 1.00 0.00 C ATOM 2026 CD ARG A 137 18.907 -10.322 4.811 1.00 0.00 C ATOM 2027 NE ARG A 137 19.799 -11.253 4.126 1.00 0.00 N ATOM 2028 CZ ARG A 137 20.003 -12.504 4.524 1.00 0.00 C ATOM 2029 NH1 ARG A 137 19.379 -12.972 5.596 1.00 0.00 N ATOM 2030 NH2 ARG A 137 20.832 -13.290 3.849 1.00 0.00 N ATOM 0 H ARG A 137 16.532 -9.010 5.467 1.00 0.00 H new ATOM 0 HA ARG A 137 16.342 -7.390 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 137 17.889 -9.755 2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 137 18.364 -8.081 2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 137 19.963 -8.725 3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 137 18.727 -8.189 4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 137 19.183 -10.263 5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 137 17.886 -10.702 4.770 1.00 0.00 H new ATOM 0 HE ARG A 137 20.293 -10.925 3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 137 18.740 -12.371 6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 137 19.537 -13.933 5.899 1.00 0.00 H new ATOM 0 HH21 ARG A 137 21.314 -12.934 3.023 1.00 0.00 H new ATOM 0 HH22 ARG A 137 20.988 -14.250 4.156 1.00 0.00 H new ATOM 2044 N ASP A 138 15.594 -9.741 1.754 1.00 0.00 N ATOM 2045 CA ASP A 138 14.663 -10.713 1.193 1.00 0.00 C ATOM 2046 C ASP A 138 15.123 -12.138 1.486 1.00 0.00 C ATOM 2047 O ASP A 138 16.103 -12.350 2.200 1.00 0.00 O ATOM 2048 CB ASP A 138 14.527 -10.510 -0.317 1.00 0.00 C ATOM 2049 CG ASP A 138 14.024 -11.752 -1.026 1.00 0.00 C ATOM 2050 OD1 ASP A 138 12.949 -12.260 -0.642 1.00 0.00 O ATOM 2051 OD2 ASP A 138 14.703 -12.217 -1.964 1.00 0.00 O ATOM 0 H ASP A 138 16.279 -9.382 1.089 1.00 0.00 H new ATOM 0 HA ASP A 138 13.691 -10.559 1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 138 13.843 -9.683 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 138 15.494 -10.226 -0.731 1.00 0.00 H new ATOM 2056 N ALA A 139 14.409 -13.110 0.928 1.00 0.00 N ATOM 2057 CA ALA A 139 14.746 -14.514 1.128 1.00 0.00 C ATOM 2058 C ALA A 139 15.927 -14.924 0.253 1.00 0.00 C ATOM 2059 O ALA A 139 16.420 -16.048 0.349 1.00 0.00 O ATOM 2060 CB ALA A 139 13.540 -15.393 0.836 1.00 0.00 C ATOM 0 H ALA A 139 13.595 -12.951 0.335 1.00 0.00 H new ATOM 0 HA ALA A 139 15.035 -14.648 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 139 13.806 -16.439 0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 139 12.723 -15.124 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 139 13.225 -15.247 -0.197 1.00 0.00 H new ATOM 2066 N SER A 140 16.377 -14.007 -0.597 1.00 0.00 N ATOM 2067 CA SER A 140 17.501 -14.274 -1.487 1.00 0.00 C ATOM 2068 C SER A 140 18.801 -13.747 -0.889 1.00 0.00 C ATOM 2069 O SER A 140 19.817 -14.442 -0.873 1.00 0.00 O ATOM 2070 CB SER A 140 17.258 -13.636 -2.855 1.00 0.00 C ATOM 2071 OG SER A 140 17.723 -14.472 -3.900 1.00 0.00 O ATOM 0 H SER A 140 15.980 -13.072 -0.688 1.00 0.00 H new ATOM 0 HA SER A 140 17.589 -15.353 -1.610 1.00 0.00 H new ATOM 0 HB2 SER A 140 16.193 -13.444 -2.986 1.00 0.00 H new ATOM 0 HB3 SER A 140 17.764 -12.672 -2.905 1.00 0.00 H new ATOM 0 HG SER A 140 17.554 -14.041 -4.764 1.00 0.00 H new ATOM 2077 N GLY A 141 18.763 -12.512 -0.396 1.00 0.00 N ATOM 2078 CA GLY A 141 19.943 -11.913 0.196 1.00 0.00 C ATOM 2079 C GLY A 141 20.308 -10.589 -0.444 1.00 0.00 C ATOM 2080 O GLY A 141 21.197 -10.526 -1.292 1.00 0.00 O ATOM 0 H GLY A 141 17.935 -11.916 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 141 19.773 -11.762 1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 141 20.782 -12.602 0.101 1.00 0.00 H new ATOM 2084 N LEU A 142 19.622 -9.527 -0.035 1.00 0.00 N ATOM 2085 CA LEU A 142 19.882 -8.197 -0.574 1.00 0.00 C ATOM 2086 C LEU A 142 19.309 -7.118 0.340 1.00 0.00 C ATOM 2087 O LEU A 142 18.094 -6.933 0.415 1.00 0.00 O ATOM 2088 CB LEU A 142 19.284 -8.065 -1.976 1.00 0.00 C ATOM 2089 CG LEU A 142 20.058 -8.788 -3.080 1.00 0.00 C ATOM 2090 CD1 LEU A 142 19.435 -8.509 -4.439 1.00 0.00 C ATOM 2091 CD2 LEU A 142 21.521 -8.372 -3.066 1.00 0.00 C ATOM 0 H LEU A 142 18.883 -9.561 0.667 1.00 0.00 H new ATOM 0 HA LEU A 142 20.962 -8.062 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 142 18.264 -8.449 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 142 19.222 -7.007 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 142 20.005 -9.860 -2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 142 19.999 -9.031 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 142 18.402 -8.858 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 142 19.457 -7.437 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 142 22.056 -8.896 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 142 21.595 -7.297 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 142 21.962 -8.625 -2.102 1.00 0.00 H new ATOM 2103 N THR A 143 20.194 -6.408 1.033 1.00 0.00 N ATOM 2104 CA THR A 143 19.777 -5.346 1.942 1.00 0.00 C ATOM 2105 C THR A 143 19.402 -4.087 1.168 1.00 0.00 C ATOM 2106 O THR A 143 19.939 -3.824 0.092 1.00 0.00 O ATOM 2107 CB THR A 143 20.894 -5.031 2.938 1.00 0.00 C ATOM 2108 OG1 THR A 143 22.092 -4.700 2.259 1.00 0.00 O ATOM 2109 CG2 THR A 143 21.201 -6.179 3.876 1.00 0.00 C ATOM 0 H THR A 143 21.203 -6.549 0.983 1.00 0.00 H new ATOM 0 HA THR A 143 18.899 -5.692 2.488 1.00 0.00 H new ATOM 0 HB THR A 143 20.528 -4.190 3.526 1.00 0.00 H new ATOM 0 HG1 THR A 143 22.794 -4.500 2.913 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.002 -5.889 4.556 1.00 0.00 H new ATOM 0 HG22 THR A 143 20.309 -6.427 4.451 1.00 0.00 H new ATOM 0 HG23 THR A 143 21.513 -7.048 3.297 1.00 0.00 H new ATOM 2117 N PRO A 144 18.474 -3.287 1.714 1.00 0.00 N ATOM 2118 CA PRO A 144 18.028 -2.048 1.077 1.00 0.00 C ATOM 2119 C PRO A 144 19.194 -1.217 0.554 1.00 0.00 C ATOM 2120 O PRO A 144 19.069 -0.513 -0.448 1.00 0.00 O ATOM 2121 CB PRO A 144 17.311 -1.317 2.210 1.00 0.00 C ATOM 2122 CG PRO A 144 16.788 -2.406 3.083 1.00 0.00 C ATOM 2123 CD PRO A 144 17.791 -3.529 2.998 1.00 0.00 C ATOM 0 HA PRO A 144 17.401 -2.233 0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 144 17.992 -0.664 2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 144 16.504 -0.690 1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 144 16.675 -2.061 4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 144 15.805 -2.736 2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 144 18.490 -3.507 3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 144 17.304 -4.504 3.016 1.00 0.00 H new ATOM 2131 N LEU A 145 20.328 -1.308 1.239 1.00 0.00 N ATOM 2132 CA LEU A 145 21.522 -0.569 0.846 1.00 0.00 C ATOM 2133 C LEU A 145 22.154 -1.178 -0.400 1.00 0.00 C ATOM 2134 O LEU A 145 22.492 -0.469 -1.349 1.00 0.00 O ATOM 2135 CB LEU A 145 22.538 -0.558 1.989 1.00 0.00 C ATOM 2136 CG LEU A 145 23.220 0.789 2.239 1.00 0.00 C ATOM 2137 CD1 LEU A 145 24.276 0.657 3.324 1.00 0.00 C ATOM 2138 CD2 LEU A 145 23.835 1.323 0.954 1.00 0.00 C ATOM 0 H LEU A 145 20.446 -1.887 2.070 1.00 0.00 H new ATOM 0 HA LEU A 145 21.226 0.455 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 145 22.035 -0.868 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 145 23.306 -1.303 1.779 1.00 0.00 H new ATOM 0 HG LEU A 145 22.466 1.500 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 145 24.751 1.624 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 145 23.807 0.320 4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 145 25.028 -0.068 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 145 24.315 2.281 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 145 24.576 0.615 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 145 23.054 1.456 0.205 1.00 0.00 H new ATOM 2150 N GLU A 146 22.315 -2.497 -0.388 1.00 0.00 N ATOM 2151 CA GLU A 146 22.911 -3.206 -1.514 1.00 0.00 C ATOM 2152 C GLU A 146 22.031 -3.108 -2.756 1.00 0.00 C ATOM 2153 O GLU A 146 22.503 -2.749 -3.834 1.00 0.00 O ATOM 2154 CB GLU A 146 23.142 -4.675 -1.154 1.00 0.00 C ATOM 2155 CG GLU A 146 24.297 -4.893 -0.190 1.00 0.00 C ATOM 2156 CD GLU A 146 24.678 -3.629 0.556 1.00 0.00 C ATOM 2157 OE1 GLU A 146 24.083 -2.569 0.272 1.00 0.00 O ATOM 2158 OE2 GLU A 146 25.573 -3.701 1.424 1.00 0.00 O ATOM 0 H GLU A 146 22.041 -3.097 0.390 1.00 0.00 H new ATOM 0 HA GLU A 146 23.869 -2.736 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 146 22.231 -5.080 -0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 146 23.331 -5.238 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 146 24.025 -5.667 0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 146 25.162 -5.260 -0.742 1.00 0.00 H new ATOM 2165 N LEU A 147 20.750 -3.432 -2.600 1.00 0.00 N ATOM 2166 CA LEU A 147 19.813 -3.380 -3.716 1.00 0.00 C ATOM 2167 C LEU A 147 19.863 -2.017 -4.398 1.00 0.00 C ATOM 2168 O LEU A 147 19.572 -1.894 -5.587 1.00 0.00 O ATOM 2169 CB LEU A 147 18.390 -3.675 -3.236 1.00 0.00 C ATOM 2170 CG LEU A 147 17.647 -4.747 -4.040 1.00 0.00 C ATOM 2171 CD1 LEU A 147 16.162 -4.732 -3.707 1.00 0.00 C ATOM 2172 CD2 LEU A 147 17.863 -4.539 -5.531 1.00 0.00 C ATOM 0 H LEU A 147 20.340 -3.732 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 147 20.104 -4.142 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 147 18.432 -3.988 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 147 17.812 -2.751 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 147 18.049 -5.723 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 147 15.651 -5.500 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 147 16.026 -4.930 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 147 15.744 -3.755 -3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 147 17.328 -5.309 -6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 147 17.488 -3.557 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 147 18.928 -4.602 -5.757 1.00 0.00 H new ATOM 2184 N ALA A 148 20.240 -0.995 -3.637 1.00 0.00 N ATOM 2185 CA ALA A 148 20.337 0.357 -4.170 1.00 0.00 C ATOM 2186 C ALA A 148 21.561 0.501 -5.069 1.00 0.00 C ATOM 2187 O ALA A 148 21.606 1.370 -5.939 1.00 0.00 O ATOM 2188 CB ALA A 148 20.389 1.368 -3.034 1.00 0.00 C ATOM 0 H ALA A 148 20.483 -1.078 -2.650 1.00 0.00 H new ATOM 0 HA ALA A 148 19.450 0.552 -4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 148 20.461 2.375 -3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 148 19.484 1.286 -2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 148 21.259 1.168 -2.409 1.00 0.00 H new ATOM 2194 N ARG A 149 22.551 -0.360 -4.852 1.00 0.00 N ATOM 2195 CA ARG A 149 23.779 -0.330 -5.640 1.00 0.00 C ATOM 2196 C ARG A 149 23.535 -0.853 -7.054 1.00 0.00 C ATOM 2197 O ARG A 149 23.921 -0.219 -8.035 1.00 0.00 O ATOM 2198 CB ARG A 149 24.869 -1.158 -4.957 1.00 0.00 C ATOM 2199 CG ARG A 149 26.242 -0.996 -5.589 1.00 0.00 C ATOM 2200 CD ARG A 149 27.339 -0.948 -4.538 1.00 0.00 C ATOM 2201 NE ARG A 149 28.265 0.158 -4.766 1.00 0.00 N ATOM 2202 CZ ARG A 149 29.223 0.506 -3.914 1.00 0.00 C ATOM 2203 NH1 ARG A 149 29.379 -0.167 -2.781 1.00 0.00 N ATOM 2204 NH2 ARG A 149 30.026 1.524 -4.192 1.00 0.00 N ATOM 0 H ARG A 149 22.527 -1.087 -4.137 1.00 0.00 H new ATOM 0 HA ARG A 149 24.110 0.706 -5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 149 24.926 -0.873 -3.907 1.00 0.00 H new ATOM 0 HB3 ARG A 149 24.586 -2.210 -4.987 1.00 0.00 H new ATOM 0 HG2 ARG A 149 26.428 -1.824 -6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 149 26.265 -0.082 -6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 149 26.890 -0.848 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 149 27.889 -1.889 -4.544 1.00 0.00 H new ATOM 0 HE ARG A 149 28.171 0.694 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 149 28.764 -0.951 -2.565 1.00 0.00 H new ATOM 0 HH12 ARG A 149 30.114 0.100 -2.126 1.00 0.00 H new ATOM 0 HH21 ARG A 149 29.909 2.043 -5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 149 30.760 1.788 -3.535 1.00 0.00 H new ATOM 2218 N GLN A 150 22.888 -2.012 -7.150 1.00 0.00 N ATOM 2219 CA GLN A 150 22.591 -2.611 -8.445 1.00 0.00 C ATOM 2220 C GLN A 150 21.705 -1.682 -9.261 1.00 0.00 C ATOM 2221 O GLN A 150 22.163 -1.047 -10.210 1.00 0.00 O ATOM 2222 CB GLN A 150 21.912 -3.972 -8.275 1.00 0.00 C ATOM 2223 CG GLN A 150 21.124 -4.109 -6.988 1.00 0.00 C ATOM 2224 CD GLN A 150 21.863 -4.913 -5.937 1.00 0.00 C ATOM 2225 OE1 GLN A 150 21.263 -5.705 -5.210 1.00 0.00 O ATOM 2226 NE2 GLN A 150 23.174 -4.714 -5.853 1.00 0.00 N ATOM 0 H GLN A 150 22.561 -2.552 -6.349 1.00 0.00 H new ATOM 0 HA GLN A 150 23.531 -2.762 -8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 150 21.243 -4.141 -9.119 1.00 0.00 H new ATOM 0 HB3 GLN A 150 22.672 -4.753 -8.309 1.00 0.00 H new ATOM 0 HG2 GLN A 150 20.904 -3.117 -6.593 1.00 0.00 H new ATOM 0 HG3 GLN A 150 20.168 -4.587 -7.201 1.00 0.00 H new ATOM 0 HE21 GLN A 150 23.630 -4.047 -6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 150 23.725 -5.228 -5.165 1.00 0.00 H new ATOM 2235 N ARG A 151 20.441 -1.587 -8.869 1.00 0.00 N ATOM 2236 CA ARG A 151 19.504 -0.713 -9.546 1.00 0.00 C ATOM 2237 C ARG A 151 19.823 0.728 -9.190 1.00 0.00 C ATOM 2238 O ARG A 151 19.004 1.431 -8.599 1.00 0.00 O ATOM 2239 CB ARG A 151 18.066 -1.055 -9.148 1.00 0.00 C ATOM 2240 CG ARG A 151 17.497 -2.253 -9.891 1.00 0.00 C ATOM 2241 CD ARG A 151 17.705 -3.542 -9.112 1.00 0.00 C ATOM 2242 NE ARG A 151 18.468 -4.526 -9.875 1.00 0.00 N ATOM 2243 CZ ARG A 151 17.973 -5.206 -10.905 1.00 0.00 C ATOM 2244 NH1 ARG A 151 16.720 -5.007 -11.292 1.00 0.00 N ATOM 2245 NH2 ARG A 151 18.730 -6.084 -11.549 1.00 0.00 N ATOM 0 H ARG A 151 20.045 -2.106 -8.085 1.00 0.00 H new ATOM 0 HA ARG A 151 19.597 -0.850 -10.623 1.00 0.00 H new ATOM 0 HB2 ARG A 151 18.032 -1.253 -8.077 1.00 0.00 H new ATOM 0 HB3 ARG A 151 17.431 -0.189 -9.333 1.00 0.00 H new ATOM 0 HG2 ARG A 151 16.432 -2.101 -10.067 1.00 0.00 H new ATOM 0 HG3 ARG A 151 17.973 -2.336 -10.868 1.00 0.00 H new ATOM 0 HD2 ARG A 151 18.226 -3.322 -8.180 1.00 0.00 H new ATOM 0 HD3 ARG A 151 16.736 -3.963 -8.843 1.00 0.00 H new ATOM 0 HE ARG A 151 19.435 -4.702 -9.603 1.00 0.00 H new ATOM 0 HH11 ARG A 151 16.135 -4.332 -10.799 1.00 0.00 H new ATOM 0 HH12 ARG A 151 16.341 -5.529 -12.082 1.00 0.00 H new ATOM 0 HH21 ARG A 151 19.694 -6.239 -11.255 1.00 0.00 H new ATOM 0 HH22 ARG A 151 18.348 -6.604 -12.339 1.00 0.00 H new ATOM 2259 N GLY A 152 21.031 1.156 -9.540 1.00 0.00 N ATOM 2260 CA GLY A 152 21.465 2.506 -9.241 1.00 0.00 C ATOM 2261 C GLY A 152 20.760 3.554 -10.074 1.00 0.00 C ATOM 2262 O GLY A 152 21.401 4.446 -10.629 1.00 0.00 O ATOM 0 H GLY A 152 21.721 0.586 -10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 152 21.290 2.712 -8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 152 22.540 2.581 -9.407 1.00 0.00 H new ATOM 2266 N ALA A 153 19.437 3.458 -10.150 1.00 0.00 N ATOM 2267 CA ALA A 153 18.647 4.422 -10.911 1.00 0.00 C ATOM 2268 C ALA A 153 19.245 5.815 -10.769 1.00 0.00 C ATOM 2269 O ALA A 153 19.623 6.455 -11.751 1.00 0.00 O ATOM 2270 CB ALA A 153 17.205 4.418 -10.425 1.00 0.00 C ATOM 0 H ALA A 153 18.890 2.726 -9.696 1.00 0.00 H new ATOM 0 HA ALA A 153 18.663 4.138 -11.963 1.00 0.00 H new ATOM 0 HB1 ALA A 153 16.625 5.141 -11.000 1.00 0.00 H new ATOM 0 HB2 ALA A 153 16.779 3.423 -10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 153 17.176 4.687 -9.369 1.00 0.00 H new ATOM 2276 N GLN A 154 19.341 6.258 -9.524 1.00 0.00 N ATOM 2277 CA GLN A 154 19.906 7.558 -9.191 1.00 0.00 C ATOM 2278 C GLN A 154 20.644 7.440 -7.863 1.00 0.00 C ATOM 2279 O GLN A 154 21.195 6.382 -7.555 1.00 0.00 O ATOM 2280 CB GLN A 154 18.798 8.613 -9.097 1.00 0.00 C ATOM 2281 CG GLN A 154 17.505 8.201 -9.781 1.00 0.00 C ATOM 2282 CD GLN A 154 16.580 7.419 -8.864 1.00 0.00 C ATOM 2283 OE1 GLN A 154 15.371 7.362 -9.090 1.00 0.00 O ATOM 2284 NE2 GLN A 154 17.143 6.809 -7.826 1.00 0.00 N ATOM 0 H GLN A 154 19.028 5.724 -8.713 1.00 0.00 H new ATOM 0 HA GLN A 154 20.600 7.870 -9.971 1.00 0.00 H new ATOM 0 HB2 GLN A 154 18.593 8.820 -8.047 1.00 0.00 H new ATOM 0 HB3 GLN A 154 19.154 9.542 -9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 154 16.988 9.092 -10.138 1.00 0.00 H new ATOM 0 HG3 GLN A 154 17.739 7.595 -10.657 1.00 0.00 H new ATOM 0 HE21 GLN A 154 18.149 6.882 -7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 154 16.569 6.268 -7.180 1.00 0.00 H new ATOM 2293 N ASN A 155 20.640 8.495 -7.061 1.00 0.00 N ATOM 2294 CA ASN A 155 21.299 8.446 -5.760 1.00 0.00 C ATOM 2295 C ASN A 155 20.475 7.596 -4.791 1.00 0.00 C ATOM 2296 O ASN A 155 20.122 8.048 -3.703 1.00 0.00 O ATOM 2297 CB ASN A 155 21.479 9.859 -5.198 1.00 0.00 C ATOM 2298 CG ASN A 155 20.206 10.678 -5.273 1.00 0.00 C ATOM 2299 OD1 ASN A 155 19.107 10.133 -5.360 1.00 0.00 O ATOM 2300 ND2 ASN A 155 20.349 11.999 -5.239 1.00 0.00 N ATOM 0 H ASN A 155 20.194 9.385 -7.282 1.00 0.00 H new ATOM 0 HA ASN A 155 22.283 7.994 -5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 155 21.806 9.795 -4.160 1.00 0.00 H new ATOM 0 HB3 ASN A 155 22.269 10.369 -5.750 1.00 0.00 H new ATOM 0 HD21 ASN A 155 19.528 12.602 -5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 155 21.280 12.409 -5.166 1.00 0.00 H new ATOM 2307 N LEU A 156 20.164 6.366 -5.203 1.00 0.00 N ATOM 2308 CA LEU A 156 19.368 5.453 -4.390 1.00 0.00 C ATOM 2309 C LEU A 156 20.095 5.064 -3.111 1.00 0.00 C ATOM 2310 O LEU A 156 19.664 5.415 -2.013 1.00 0.00 O ATOM 2311 CB LEU A 156 19.026 4.195 -5.194 1.00 0.00 C ATOM 2312 CG LEU A 156 17.632 4.188 -5.821 1.00 0.00 C ATOM 2313 CD1 LEU A 156 17.290 2.804 -6.348 1.00 0.00 C ATOM 2314 CD2 LEU A 156 16.592 4.648 -4.810 1.00 0.00 C ATOM 0 H LEU A 156 20.455 5.980 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 156 18.450 5.971 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 156 19.765 4.077 -5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 156 19.118 3.328 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 156 17.628 4.884 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 156 16.294 2.819 -6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 156 18.019 2.512 -7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 156 17.312 2.087 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 156 15.605 4.637 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 156 16.598 3.977 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 156 16.827 5.660 -4.481 1.00 0.00 H new ATOM 2326 N MET A 157 21.197 4.338 -3.255 1.00 0.00 N ATOM 2327 CA MET A 157 21.970 3.902 -2.109 1.00 0.00 C ATOM 2328 C MET A 157 22.286 5.085 -1.200 1.00 0.00 C ATOM 2329 O MET A 157 22.580 4.911 -0.018 1.00 0.00 O ATOM 2330 CB MET A 157 23.259 3.229 -2.583 1.00 0.00 C ATOM 2331 CG MET A 157 24.408 4.198 -2.802 1.00 0.00 C ATOM 2332 SD MET A 157 25.283 4.597 -1.278 1.00 0.00 S ATOM 2333 CE MET A 157 26.312 3.143 -1.087 1.00 0.00 C ATOM 0 H MET A 157 21.572 4.041 -4.156 1.00 0.00 H new ATOM 0 HA MET A 157 21.385 3.181 -1.538 1.00 0.00 H new ATOM 0 HB2 MET A 157 23.560 2.482 -1.848 1.00 0.00 H new ATOM 0 HB3 MET A 157 23.060 2.698 -3.514 1.00 0.00 H new ATOM 0 HG2 MET A 157 25.110 3.767 -3.517 1.00 0.00 H new ATOM 0 HG3 MET A 157 24.024 5.116 -3.246 1.00 0.00 H new ATOM 0 HE1 MET A 157 26.915 3.240 -0.184 1.00 0.00 H new ATOM 0 HE2 MET A 157 25.680 2.258 -1.008 1.00 0.00 H new ATOM 0 HE3 MET A 157 26.967 3.045 -1.952 1.00 0.00 H new ATOM 2343 N ASP A 158 22.215 6.288 -1.761 1.00 0.00 N ATOM 2344 CA ASP A 158 22.484 7.500 -1.002 1.00 0.00 C ATOM 2345 C ASP A 158 21.333 7.817 -0.050 1.00 0.00 C ATOM 2346 O ASP A 158 21.556 8.195 1.099 1.00 0.00 O ATOM 2347 CB ASP A 158 22.724 8.679 -1.945 1.00 0.00 C ATOM 2348 CG ASP A 158 21.478 9.062 -2.721 1.00 0.00 C ATOM 2349 OD1 ASP A 158 21.097 8.308 -3.642 1.00 0.00 O ATOM 2350 OD2 ASP A 158 20.883 10.114 -2.408 1.00 0.00 O ATOM 0 H ASP A 158 21.973 6.448 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 158 23.383 7.332 -0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 158 23.068 9.538 -1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 158 23.521 8.425 -2.644 1.00 0.00 H new ATOM 2355 N ILE A 159 20.103 7.663 -0.535 1.00 0.00 N ATOM 2356 CA ILE A 159 18.929 7.936 0.275 1.00 0.00 C ATOM 2357 C ILE A 159 18.732 6.858 1.335 1.00 0.00 C ATOM 2358 O ILE A 159 18.373 7.152 2.476 1.00 0.00 O ATOM 2359 CB ILE A 159 17.650 8.027 -0.582 1.00 0.00 C ATOM 2360 CG1 ILE A 159 17.938 8.637 -1.958 1.00 0.00 C ATOM 2361 CG2 ILE A 159 16.609 8.851 0.145 1.00 0.00 C ATOM 2362 CD1 ILE A 159 17.417 7.800 -3.110 1.00 0.00 C ATOM 0 H ILE A 159 19.899 7.351 -1.484 1.00 0.00 H new ATOM 0 HA ILE A 159 19.102 8.899 0.756 1.00 0.00 H new ATOM 0 HB ILE A 159 17.273 7.017 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 159 17.490 9.629 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 159 19.014 8.767 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 159 15.706 8.914 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 159 16.373 8.379 1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 159 16.998 9.854 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 159 17.656 8.291 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 159 17.884 6.816 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 159 16.336 7.691 -3.021 1.00 0.00 H new ATOM 2374 N LEU A 160 18.966 5.607 0.951 1.00 0.00 N ATOM 2375 CA LEU A 160 18.812 4.483 1.867 1.00 0.00 C ATOM 2376 C LEU A 160 19.945 4.452 2.886 1.00 0.00 C ATOM 2377 O LEU A 160 19.725 4.169 4.064 1.00 0.00 O ATOM 2378 CB LEU A 160 18.767 3.165 1.091 1.00 0.00 C ATOM 2379 CG LEU A 160 17.588 3.027 0.125 1.00 0.00 C ATOM 2380 CD1 LEU A 160 17.857 3.802 -1.156 1.00 0.00 C ATOM 2381 CD2 LEU A 160 17.317 1.562 -0.183 1.00 0.00 C ATOM 0 H LEU A 160 19.263 5.346 0.011 1.00 0.00 H new ATOM 0 HA LEU A 160 17.871 4.610 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 160 19.694 3.060 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 160 18.732 2.341 1.804 1.00 0.00 H new ATOM 0 HG LEU A 160 16.702 3.446 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 160 17.009 3.693 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 160 18.000 4.856 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 160 18.755 3.412 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 160 16.475 1.485 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 160 18.201 1.117 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 160 17.080 1.034 0.741 1.00 0.00 H new ATOM 2393 N GLN A 161 21.158 4.742 2.427 1.00 0.00 N ATOM 2394 CA GLN A 161 22.324 4.747 3.303 1.00 0.00 C ATOM 2395 C GLN A 161 22.194 5.820 4.378 1.00 0.00 C ATOM 2396 O GLN A 161 22.427 5.562 5.558 1.00 0.00 O ATOM 2397 CB GLN A 161 23.596 4.971 2.493 1.00 0.00 C ATOM 2398 CG GLN A 161 24.815 5.284 3.348 1.00 0.00 C ATOM 2399 CD GLN A 161 26.068 5.494 2.522 1.00 0.00 C ATOM 2400 OE1 GLN A 161 27.070 4.801 2.705 1.00 0.00 O ATOM 2401 NE2 GLN A 161 26.020 6.453 1.606 1.00 0.00 N ATOM 0 H GLN A 161 21.359 4.976 1.455 1.00 0.00 H new ATOM 0 HA GLN A 161 22.382 3.775 3.793 1.00 0.00 H new ATOM 0 HB2 GLN A 161 23.799 4.081 1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 161 23.432 5.791 1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 161 24.620 6.179 3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 161 24.980 4.468 4.051 1.00 0.00 H new ATOM 0 HE21 GLN A 161 25.169 7.003 1.488 1.00 0.00 H new ATOM 0 HE22 GLN A 161 26.834 6.640 1.020 1.00 0.00 H new ATOM 2410 N GLY A 162 21.820 7.026 3.961 1.00 0.00 N ATOM 2411 CA GLY A 162 21.665 8.120 4.901 1.00 0.00 C ATOM 2412 C GLY A 162 20.530 7.887 5.878 1.00 0.00 C ATOM 2413 O GLY A 162 20.675 8.124 7.078 1.00 0.00 O ATOM 0 H GLY A 162 21.622 7.264 2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 162 22.595 8.255 5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 162 21.484 9.044 4.352 1.00 0.00 H new ATOM 2417 N HIS A 163 19.396 7.422 5.365 1.00 0.00 N ATOM 2418 CA HIS A 163 18.230 7.157 6.199 1.00 0.00 C ATOM 2419 C HIS A 163 18.445 5.915 7.058 1.00 0.00 C ATOM 2420 O HIS A 163 17.680 5.649 7.985 1.00 0.00 O ATOM 2421 CB HIS A 163 16.984 6.982 5.331 1.00 0.00 C ATOM 2422 CG HIS A 163 16.188 8.238 5.164 1.00 0.00 C ATOM 2423 ND1 HIS A 163 16.305 9.284 6.047 1.00 0.00 N ATOM 2424 CD2 HIS A 163 15.283 8.565 4.209 1.00 0.00 C ATOM 2425 CE1 HIS A 163 15.477 10.218 5.614 1.00 0.00 C ATOM 2426 NE2 HIS A 163 14.835 9.826 4.502 1.00 0.00 N ATOM 0 H HIS A 163 19.260 7.221 4.374 1.00 0.00 H new ATOM 0 HA HIS A 163 18.086 8.012 6.859 1.00 0.00 H new ATOM 0 HB2 HIS A 163 17.284 6.619 4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 163 16.348 6.215 5.773 1.00 0.00 H new ATOM 0 HD2 HIS A 163 14.974 7.949 3.377 1.00 0.00 H new ATOM 0 HE1 HIS A 163 15.335 11.175 6.094 1.00 0.00 H new ATOM 0 HE2 HIS A 163 14.146 10.364 3.976 1.00 0.00 H new ATOM 2434 N MET A 164 19.490 5.156 6.742 1.00 0.00 N ATOM 2435 CA MET A 164 19.806 3.941 7.484 1.00 0.00 C ATOM 2436 C MET A 164 20.370 4.276 8.861 1.00 0.00 C ATOM 2437 O MET A 164 19.877 3.790 9.879 1.00 0.00 O ATOM 2438 CB MET A 164 20.808 3.089 6.704 1.00 0.00 C ATOM 2439 CG MET A 164 20.184 1.875 6.037 1.00 0.00 C ATOM 2440 SD MET A 164 21.304 1.069 4.876 1.00 0.00 S ATOM 2441 CE MET A 164 22.641 0.595 5.969 1.00 0.00 C ATOM 0 H MET A 164 20.132 5.361 5.977 1.00 0.00 H new ATOM 0 HA MET A 164 18.884 3.375 7.616 1.00 0.00 H new ATOM 0 HB2 MET A 164 21.283 3.708 5.943 1.00 0.00 H new ATOM 0 HB3 MET A 164 21.595 2.757 7.381 1.00 0.00 H new ATOM 0 HG2 MET A 164 19.883 1.159 6.802 1.00 0.00 H new ATOM 0 HG3 MET A 164 19.279 2.179 5.511 1.00 0.00 H new ATOM 0 HE1 MET A 164 23.491 1.260 5.814 1.00 0.00 H new ATOM 0 HE2 MET A 164 22.308 0.667 7.004 1.00 0.00 H new ATOM 0 HE3 MET A 164 22.940 -0.431 5.755 1.00 0.00 H new ATOM 2451 N MET A 165 21.404 5.109 8.884 1.00 0.00 N ATOM 2452 CA MET A 165 22.036 5.510 10.136 1.00 0.00 C ATOM 2453 C MET A 165 22.902 4.385 10.692 1.00 0.00 C ATOM 2454 O MET A 165 22.954 4.170 11.904 1.00 0.00 O ATOM 2455 CB MET A 165 20.976 5.907 11.163 1.00 0.00 C ATOM 2456 CG MET A 165 21.379 7.093 12.025 1.00 0.00 C ATOM 2457 SD MET A 165 20.432 7.196 13.556 1.00 0.00 S ATOM 2458 CE MET A 165 21.397 6.128 14.623 1.00 0.00 C ATOM 0 H MET A 165 21.823 5.520 8.050 1.00 0.00 H new ATOM 0 HA MET A 165 22.674 6.370 9.932 1.00 0.00 H new ATOM 0 HB2 MET A 165 20.049 6.145 10.642 1.00 0.00 H new ATOM 0 HB3 MET A 165 20.769 5.053 11.808 1.00 0.00 H new ATOM 0 HG2 MET A 165 22.440 7.019 12.263 1.00 0.00 H new ATOM 0 HG3 MET A 165 21.243 8.013 11.456 1.00 0.00 H new ATOM 0 HE1 MET A 165 20.937 6.089 15.610 1.00 0.00 H new ATOM 0 HE2 MET A 165 21.432 5.125 14.198 1.00 0.00 H new ATOM 0 HE3 MET A 165 22.410 6.520 14.710 1.00 0.00 H new ATOM 2468 N ILE A 166 23.577 3.669 9.799 1.00 0.00 N ATOM 2469 CA ILE A 166 24.442 2.565 10.197 1.00 0.00 C ATOM 2470 C ILE A 166 25.123 2.849 11.531 1.00 0.00 C ATOM 2471 O ILE A 166 26.186 3.468 11.579 1.00 0.00 O ATOM 2472 CB ILE A 166 25.523 2.287 9.136 1.00 0.00 C ATOM 2473 CG1 ILE A 166 26.103 3.603 8.612 1.00 0.00 C ATOM 2474 CG2 ILE A 166 24.945 1.464 7.993 1.00 0.00 C ATOM 2475 CD1 ILE A 166 27.613 3.605 8.520 1.00 0.00 C ATOM 0 H ILE A 166 23.541 3.834 8.793 1.00 0.00 H new ATOM 0 HA ILE A 166 23.803 1.687 10.297 1.00 0.00 H new ATOM 0 HB ILE A 166 26.327 1.715 9.599 1.00 0.00 H new ATOM 0 HG12 ILE A 166 25.687 3.806 7.625 1.00 0.00 H new ATOM 0 HG13 ILE A 166 25.786 4.416 9.265 1.00 0.00 H new ATOM 0 HG21 ILE A 166 25.721 1.276 7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 166 24.575 0.514 8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 166 24.125 2.012 7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 166 27.953 4.569 8.141 1.00 0.00 H new ATOM 0 HD12 ILE A 166 28.038 3.433 9.509 1.00 0.00 H new ATOM 0 HD13 ILE A 166 27.937 2.814 7.843 1.00 0.00 H new ATOM 2487 N PRO A 167 24.512 2.399 12.637 1.00 0.00 N ATOM 2488 CA PRO A 167 25.057 2.604 13.983 1.00 0.00 C ATOM 2489 C PRO A 167 26.458 2.022 14.133 1.00 0.00 C ATOM 2490 O PRO A 167 26.644 0.973 14.750 1.00 0.00 O ATOM 2491 CB PRO A 167 24.070 1.858 14.890 1.00 0.00 C ATOM 2492 CG PRO A 167 22.813 1.759 14.094 1.00 0.00 C ATOM 2493 CD PRO A 167 23.243 1.656 12.659 1.00 0.00 C ATOM 0 HA PRO A 167 25.158 3.663 14.223 1.00 0.00 H new ATOM 0 HB2 PRO A 167 24.447 0.871 15.156 1.00 0.00 H new ATOM 0 HB3 PRO A 167 23.905 2.398 15.822 1.00 0.00 H new ATOM 0 HG2 PRO A 167 22.230 0.887 14.391 1.00 0.00 H new ATOM 0 HG3 PRO A 167 22.181 2.633 14.251 1.00 0.00 H new ATOM 0 HD2 PRO A 167 23.378 0.619 12.352 1.00 0.00 H new ATOM 0 HD3 PRO A 167 22.507 2.095 11.985 1.00 0.00 H new ATOM 2501 N MET A 168 27.443 2.711 13.564 1.00 0.00 N ATOM 2502 CA MET A 168 28.829 2.262 13.634 1.00 0.00 C ATOM 2503 C MET A 168 29.528 2.843 14.860 1.00 0.00 C ATOM 2504 O MET A 168 29.630 4.085 14.949 1.00 0.00 O ATOM 2505 CB MET A 168 29.584 2.663 12.365 1.00 0.00 C ATOM 2506 CG MET A 168 29.998 1.480 11.505 1.00 0.00 C ATOM 2507 SD MET A 168 31.510 1.793 10.573 1.00 0.00 S ATOM 2508 CE MET A 168 31.185 0.861 9.079 1.00 0.00 C ATOM 2509 OXT MET A 168 29.966 2.051 15.720 1.00 0.00 O ATOM 0 H MET A 168 27.307 3.581 13.050 1.00 0.00 H new ATOM 0 HA MET A 168 28.828 1.175 13.719 1.00 0.00 H new ATOM 0 HB2 MET A 168 28.956 3.329 11.774 1.00 0.00 H new ATOM 0 HB3 MET A 168 30.474 3.228 12.644 1.00 0.00 H new ATOM 0 HG2 MET A 168 30.142 0.607 12.141 1.00 0.00 H new ATOM 0 HG3 MET A 168 29.192 1.240 10.812 1.00 0.00 H new ATOM 0 HE1 MET A 168 32.032 0.956 8.399 1.00 0.00 H new ATOM 0 HE2 MET A 168 31.037 -0.189 9.330 1.00 0.00 H new ATOM 0 HE3 MET A 168 30.288 1.248 8.597 1.00 0.00 H new TER 2519 MET A 168