USER MOD reduce.3.24.130724 H: found=0, std=0, add=1270, rem=0, adj=33 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 Set 1.1: A 110 SER OG : rot 3:sc= 0.241 USER MOD Set 1.2: A 114 HIS : no HD1:sc= -16.9! C(o=-17!,f=-28!) USER MOD Set 2.1: A 78 SER OG : rot -110:sc= -2.42! USER MOD Set 2.2: A 81 HIS : no HD1:sc= -3.86! C(o=-6.3!,f=-8.9!) 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 -159:sc= -0.321 (180deg=-1.44!) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 150:sc= -0.17 USER MOD Single : A 24 GLN : amide:sc= -0.353 K(o=-0.35,f=-3.1!) USER MOD Single : A 31 HIS : no HD1:sc=-0.00975 X(o=-0.0097,f=-0.057) USER MOD Single : A 36 HIS : no HE2:sc= -0.0808 K(o=-0.081,f=-2.7!) USER MOD Single : A 41 ASN : amide:sc= -3.84 X(o=-3.8,f=-3.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.33 K(o=-1.3,f=-5.8!) USER MOD Single : A 51 MET CE :methyl 169:sc= -8.12! (180deg=-8.75!) USER MOD Single : A 52 MET CE :methyl -124:sc= -5.16! (180deg=-11.2!) USER MOD Single : A 55 SER OG : rot 124:sc= -1.84! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -8.79! C(o=-9.7!,f=-8.8!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00448 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.683 F(o=-2.2!,f=-0.68) USER MOD Single : A 72 GLN : amide:sc= -0.0999 K(o=-0.1,f=-2.2!) USER MOD Single : A 75 SER OG : rot -81:sc= 0.852 USER MOD Single : A 77 THR OG1 : rot 50:sc= 0.76 USER MOD Single : A 86 THR OG1 : rot -30:sc= -0.602 USER MOD Single : A 91 THR OG1 : rot 87:sc= 0.176! USER MOD Single : A 93 LYS NZ :NH3+ 143:sc= -0.0882 (180deg=-0.301) USER MOD Single : A 98 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.042) USER MOD Single : A 103 ASN : amide:sc= -2.2 K(o=-2.2,f=-9.6!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -64:sc= -0.0192 USER MOD Single : A 121 HIS : no HE2:sc= -2.64 K(o=-2.6,f=-3.2!) USER MOD Single : A 122 SER OG : rot 180:sc=-0.00214 USER MOD Single : A 123 SER OG : rot 168:sc= -2.05! USER MOD Single : A 126 SER OG : rot 180:sc= -1.92! USER MOD Single : A 132 SER OG : rot -67:sc= -1.19 USER MOD Single : A 135 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-4!) USER MOD Single : A 136 HIS : no HE2:sc= -0.414 X(o=-0.41,f=-0.71) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 160:sc= -1.53! USER MOD Single : A 150 GLN : amide:sc= -0.215 X(o=-0.21,f=0) USER MOD Single : A 154 GLN :FLIP amide:sc= -3.96! C(o=-10!,f=-4!) USER MOD Single : A 155 ASN : amide:sc= -0.087 K(o=-0.087,f=-1.5!) USER MOD Single : A 157 MET CE :methyl 159:sc= -0.993 (180deg=-2.42!) USER MOD Single : A 161 GLN : amide:sc= -0.188 K(o=-0.19,f=-3!) USER MOD Single : A 163 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.72) USER MOD Single : A 164 MET CE :methyl 156:sc= -0.12 (180deg=-0.42) 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 -31.747 -2.431 -9.450 1.00 0.00 N ATOM 2 CA GLY A 1 -32.138 -3.261 -8.276 1.00 0.00 C ATOM 3 C GLY A 1 -32.284 -4.727 -8.628 1.00 0.00 C ATOM 4 O GLY A 1 -33.384 -5.279 -8.578 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.660 -1.437 -9.158 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.835 -2.764 -9.822 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.473 -2.512 -10.190 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.389 -3.151 -7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.080 -2.892 -7.871 1.00 0.00 H new ATOM 10 N SER A 2 -31.172 -5.363 -8.984 1.00 0.00 N ATOM 11 CA SER A 2 -31.181 -6.776 -9.346 1.00 0.00 C ATOM 12 C SER A 2 -30.692 -7.637 -8.187 1.00 0.00 C ATOM 13 O SER A 2 -29.562 -7.487 -7.722 1.00 0.00 O ATOM 14 CB SER A 2 -30.305 -7.012 -10.577 1.00 0.00 C ATOM 15 OG SER A 2 -30.974 -6.619 -11.762 1.00 0.00 O ATOM 0 H SER A 2 -30.253 -4.922 -9.029 1.00 0.00 H new ATOM 0 HA SER A 2 -32.207 -7.061 -9.578 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.375 -6.452 -10.478 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.037 -8.067 -10.640 1.00 0.00 H new ATOM 0 HG SER A 2 -30.392 -6.778 -12.534 1.00 0.00 H new ATOM 21 N MET A 3 -31.549 -8.542 -7.725 1.00 0.00 N ATOM 22 CA MET A 3 -31.202 -9.431 -6.621 1.00 0.00 C ATOM 23 C MET A 3 -30.406 -10.631 -7.121 1.00 0.00 C ATOM 24 O MET A 3 -30.820 -11.778 -6.952 1.00 0.00 O ATOM 25 CB MET A 3 -32.465 -9.905 -5.902 1.00 0.00 C ATOM 26 CG MET A 3 -32.185 -10.616 -4.588 1.00 0.00 C ATOM 27 SD MET A 3 -33.427 -11.860 -4.188 1.00 0.00 S ATOM 28 CE MET A 3 -34.906 -11.081 -4.833 1.00 0.00 C ATOM 0 H MET A 3 -32.489 -8.679 -8.098 1.00 0.00 H new ATOM 0 HA MET A 3 -30.583 -8.873 -5.919 1.00 0.00 H new ATOM 0 HB2 MET A 3 -33.109 -9.046 -5.711 1.00 0.00 H new ATOM 0 HB3 MET A 3 -33.017 -10.577 -6.559 1.00 0.00 H new ATOM 0 HG2 MET A 3 -31.205 -11.091 -4.639 1.00 0.00 H new ATOM 0 HG3 MET A 3 -32.142 -9.881 -3.784 1.00 0.00 H new ATOM 0 HE1 MET A 3 -35.784 -11.515 -4.355 1.00 0.00 H new ATOM 0 HE2 MET A 3 -34.873 -10.011 -4.628 1.00 0.00 H new ATOM 0 HE3 MET A 3 -34.962 -11.242 -5.910 1.00 0.00 H new ATOM 38 N LEU A 4 -29.260 -10.359 -7.738 1.00 0.00 N ATOM 39 CA LEU A 4 -28.405 -11.416 -8.264 1.00 0.00 C ATOM 40 C LEU A 4 -26.945 -10.976 -8.282 1.00 0.00 C ATOM 41 O LEU A 4 -26.643 -9.801 -8.494 1.00 0.00 O ATOM 42 CB LEU A 4 -28.849 -11.804 -9.676 1.00 0.00 C ATOM 43 CG LEU A 4 -29.916 -12.897 -9.742 1.00 0.00 C ATOM 44 CD1 LEU A 4 -31.283 -12.290 -10.022 1.00 0.00 C ATOM 45 CD2 LEU A 4 -29.559 -13.928 -10.802 1.00 0.00 C ATOM 0 H LEU A 4 -28.903 -9.415 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 4 -28.497 -12.283 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -29.230 -10.915 -10.178 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -27.975 -12.136 -10.237 1.00 0.00 H new ATOM 0 HG LEU A 4 -29.955 -13.400 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -32.031 -13.082 -10.066 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -31.541 -11.591 -9.226 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -31.258 -11.761 -10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -30.330 -14.698 -10.835 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -29.491 -13.441 -11.775 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -28.600 -14.385 -10.557 1.00 0.00 H new ATOM 57 N LEU A 5 -26.042 -11.925 -8.058 1.00 0.00 N ATOM 58 CA LEU A 5 -24.613 -11.634 -8.051 1.00 0.00 C ATOM 59 C LEU A 5 -24.307 -10.434 -7.160 1.00 0.00 C ATOM 60 O LEU A 5 -23.729 -9.445 -7.612 1.00 0.00 O ATOM 61 CB LEU A 5 -24.120 -11.368 -9.474 1.00 0.00 C ATOM 62 CG LEU A 5 -22.734 -11.931 -9.794 1.00 0.00 C ATOM 63 CD1 LEU A 5 -21.801 -11.760 -8.605 1.00 0.00 C ATOM 64 CD2 LEU A 5 -22.835 -13.397 -10.191 1.00 0.00 C ATOM 0 H LEU A 5 -26.274 -12.902 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 5 -24.091 -12.503 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -24.838 -11.791 -10.176 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -24.106 -10.291 -9.642 1.00 0.00 H new ATOM 0 HG LEU A 5 -22.320 -11.375 -10.635 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -20.820 -12.166 -8.851 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -21.706 -10.701 -8.367 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -22.208 -12.290 -7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -21.840 -13.783 -10.415 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -23.268 -13.967 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -23.469 -13.492 -11.073 1.00 0.00 H new ATOM 76 N GLU A 6 -24.697 -10.529 -5.893 1.00 0.00 N ATOM 77 CA GLU A 6 -24.463 -9.450 -4.940 1.00 0.00 C ATOM 78 C GLU A 6 -23.400 -9.846 -3.921 1.00 0.00 C ATOM 79 O GLU A 6 -22.212 -9.587 -4.115 1.00 0.00 O ATOM 80 CB GLU A 6 -25.763 -9.086 -4.220 1.00 0.00 C ATOM 81 CG GLU A 6 -26.705 -8.235 -5.055 1.00 0.00 C ATOM 82 CD GLU A 6 -27.315 -7.094 -4.264 1.00 0.00 C ATOM 83 OE1 GLU A 6 -28.027 -7.371 -3.275 1.00 0.00 O ATOM 84 OE2 GLU A 6 -27.081 -5.924 -4.633 1.00 0.00 O ATOM 0 H GLU A 6 -25.176 -11.341 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 6 -24.106 -8.582 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -26.276 -10.003 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -25.522 -8.551 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -26.163 -7.831 -5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -27.502 -8.864 -5.452 1.00 0.00 H new ATOM 91 N GLU A 7 -23.834 -10.475 -2.834 1.00 0.00 N ATOM 92 CA GLU A 7 -22.922 -10.909 -1.783 1.00 0.00 C ATOM 93 C GLU A 7 -21.992 -9.772 -1.365 1.00 0.00 C ATOM 94 O GLU A 7 -20.863 -10.008 -0.935 1.00 0.00 O ATOM 95 CB GLU A 7 -22.099 -12.109 -2.254 1.00 0.00 C ATOM 96 CG GLU A 7 -22.764 -13.447 -1.976 1.00 0.00 C ATOM 97 CD GLU A 7 -22.102 -14.201 -0.840 1.00 0.00 C ATOM 98 OE1 GLU A 7 -21.487 -13.546 0.028 1.00 0.00 O ATOM 99 OE2 GLU A 7 -22.199 -15.445 -0.817 1.00 0.00 O ATOM 0 H GLU A 7 -24.814 -10.696 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 7 -23.518 -11.204 -0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.918 -12.018 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -21.126 -12.087 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -23.814 -13.284 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -22.735 -14.058 -2.878 1.00 0.00 H new ATOM 106 N VAL A 8 -22.477 -8.542 -1.493 1.00 0.00 N ATOM 107 CA VAL A 8 -21.690 -7.370 -1.126 1.00 0.00 C ATOM 108 C VAL A 8 -22.593 -6.215 -0.705 1.00 0.00 C ATOM 109 O VAL A 8 -22.295 -5.500 0.253 1.00 0.00 O ATOM 110 CB VAL A 8 -20.792 -6.908 -2.289 1.00 0.00 C ATOM 111 CG1 VAL A 8 -19.839 -8.019 -2.703 1.00 0.00 C ATOM 112 CG2 VAL A 8 -21.635 -6.450 -3.470 1.00 0.00 C ATOM 0 H VAL A 8 -23.410 -8.330 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 8 -21.059 -7.662 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 8 -20.198 -6.060 -1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -19.213 -7.674 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -19.208 -8.292 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -20.412 -8.889 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -20.981 -6.128 -4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -22.259 -7.275 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -22.270 -5.618 -3.163 1.00 0.00 H new ATOM 122 N CYS A 9 -23.697 -6.040 -1.422 1.00 0.00 N ATOM 123 CA CYS A 9 -24.645 -4.972 -1.119 1.00 0.00 C ATOM 124 C CYS A 9 -24.075 -3.609 -1.499 1.00 0.00 C ATOM 125 O CYS A 9 -24.657 -2.884 -2.306 1.00 0.00 O ATOM 126 CB CYS A 9 -25.007 -4.991 0.366 1.00 0.00 C ATOM 127 SG CYS A 9 -26.374 -3.892 0.808 1.00 0.00 S ATOM 0 H CYS A 9 -23.959 -6.623 -2.217 1.00 0.00 H new ATOM 0 HA CYS A 9 -25.546 -5.143 -1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -25.267 -6.010 0.652 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -24.128 -4.711 0.947 1.00 0.00 H new ATOM 0 HG CYS A 9 -26.606 -3.980 2.084 1.00 0.00 H new ATOM 133 N VAL A 10 -22.934 -3.266 -0.910 1.00 0.00 N ATOM 134 CA VAL A 10 -22.286 -1.991 -1.185 1.00 0.00 C ATOM 135 C VAL A 10 -20.877 -2.196 -1.728 1.00 0.00 C ATOM 136 O VAL A 10 -20.077 -1.261 -1.777 1.00 0.00 O ATOM 137 CB VAL A 10 -22.213 -1.114 0.080 1.00 0.00 C ATOM 138 CG1 VAL A 10 -21.156 -1.643 1.037 1.00 0.00 C ATOM 139 CG2 VAL A 10 -21.933 0.334 -0.290 1.00 0.00 C ATOM 0 H VAL A 10 -22.440 -3.854 -0.239 1.00 0.00 H new ATOM 0 HA VAL A 10 -22.892 -1.484 -1.936 1.00 0.00 H new ATOM 0 HB VAL A 10 -23.178 -1.155 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -21.119 -1.011 1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -21.407 -2.663 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -20.183 -1.635 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -21.885 0.938 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -20.982 0.397 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -22.731 0.706 -0.932 1.00 0.00 H new ATOM 149 N GLY A 11 -20.579 -3.424 -2.136 1.00 0.00 N ATOM 150 CA GLY A 11 -19.265 -3.729 -2.671 1.00 0.00 C ATOM 151 C GLY A 11 -18.944 -2.923 -3.913 1.00 0.00 C ATOM 152 O GLY A 11 -17.935 -2.220 -3.961 1.00 0.00 O ATOM 0 H GLY A 11 -21.224 -4.214 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -18.511 -3.532 -1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -19.210 -4.792 -2.907 1.00 0.00 H new ATOM 156 N ASP A 12 -19.802 -3.026 -4.922 1.00 0.00 N ATOM 157 CA ASP A 12 -19.603 -2.301 -6.172 1.00 0.00 C ATOM 158 C ASP A 12 -19.674 -0.795 -5.945 1.00 0.00 C ATOM 159 O ASP A 12 -19.330 -0.008 -6.827 1.00 0.00 O ATOM 160 CB ASP A 12 -20.649 -2.724 -7.204 1.00 0.00 C ATOM 161 CG ASP A 12 -20.031 -3.425 -8.399 1.00 0.00 C ATOM 162 OD1 ASP A 12 -19.137 -2.831 -9.038 1.00 0.00 O ATOM 163 OD2 ASP A 12 -20.441 -4.567 -8.694 1.00 0.00 O ATOM 0 H ASP A 12 -20.642 -3.604 -4.899 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.611 -2.546 -6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.374 -3.387 -6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -21.196 -1.845 -7.545 1.00 0.00 H new ATOM 168 N ARG A 13 -20.122 -0.398 -4.756 1.00 0.00 N ATOM 169 CA ARG A 13 -20.237 1.015 -4.416 1.00 0.00 C ATOM 170 C ARG A 13 -18.920 1.548 -3.860 1.00 0.00 C ATOM 171 O ARG A 13 -18.280 2.405 -4.470 1.00 0.00 O ATOM 172 CB ARG A 13 -21.357 1.227 -3.396 1.00 0.00 C ATOM 173 CG ARG A 13 -22.229 2.437 -3.695 1.00 0.00 C ATOM 174 CD ARG A 13 -21.584 3.723 -3.208 1.00 0.00 C ATOM 175 NE ARG A 13 -22.186 4.904 -3.821 1.00 0.00 N ATOM 176 CZ ARG A 13 -22.105 5.181 -5.119 1.00 0.00 C ATOM 177 NH1 ARG A 13 -21.451 4.366 -5.934 1.00 0.00 N ATOM 178 NH2 ARG A 13 -22.679 6.275 -5.601 1.00 0.00 N ATOM 0 H ARG A 13 -20.411 -1.035 -4.014 1.00 0.00 H new ATOM 0 HA ARG A 13 -20.476 1.564 -5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -21.984 0.336 -3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.918 1.341 -2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -22.407 2.502 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -23.201 2.313 -3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -21.680 3.789 -2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -20.518 3.702 -3.433 1.00 0.00 H new ATOM 0 HE ARG A 13 -22.696 5.552 -3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -21.008 3.524 -5.566 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -21.390 4.581 -6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -23.183 6.904 -4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -22.617 6.487 -6.597 1.00 0.00 H new ATOM 192 N LEU A 14 -18.522 1.036 -2.701 1.00 0.00 N ATOM 193 CA LEU A 14 -17.280 1.461 -2.062 1.00 0.00 C ATOM 194 C LEU A 14 -16.069 0.935 -2.827 1.00 0.00 C ATOM 195 O LEU A 14 -15.300 1.709 -3.398 1.00 0.00 O ATOM 196 CB LEU A 14 -17.234 0.971 -0.614 1.00 0.00 C ATOM 197 CG LEU A 14 -16.196 1.664 0.271 1.00 0.00 C ATOM 198 CD1 LEU A 14 -14.788 1.276 -0.151 1.00 0.00 C ATOM 199 CD2 LEU A 14 -16.373 3.174 0.219 1.00 0.00 C ATOM 0 H LEU A 14 -19.041 0.326 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.249 2.551 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.219 1.109 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.031 -0.100 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.348 1.335 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.064 1.779 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.665 0.197 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.624 1.574 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.626 3.650 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.250 3.520 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -17.370 3.436 0.573 1.00 0.00 H new ATOM 211 N SER A 15 -15.907 -0.383 -2.833 1.00 0.00 N ATOM 212 CA SER A 15 -14.789 -1.012 -3.527 1.00 0.00 C ATOM 213 C SER A 15 -14.777 -0.624 -5.002 1.00 0.00 C ATOM 214 O SER A 15 -13.719 -0.542 -5.624 1.00 0.00 O ATOM 215 CB SER A 15 -14.866 -2.533 -3.386 1.00 0.00 C ATOM 216 OG SER A 15 -14.287 -3.179 -4.507 1.00 0.00 O ATOM 0 H SER A 15 -16.535 -1.037 -2.365 1.00 0.00 H new ATOM 0 HA SER A 15 -13.864 -0.659 -3.071 1.00 0.00 H new ATOM 0 HB2 SER A 15 -14.351 -2.844 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.907 -2.840 -3.283 1.00 0.00 H new ATOM 0 HG SER A 15 -13.911 -4.041 -4.230 1.00 0.00 H new ATOM 222 N GLY A 16 -15.962 -0.388 -5.556 1.00 0.00 N ATOM 223 CA GLY A 16 -16.065 -0.013 -6.954 1.00 0.00 C ATOM 224 C GLY A 16 -15.587 1.403 -7.212 1.00 0.00 C ATOM 225 O GLY A 16 -14.607 1.613 -7.926 1.00 0.00 O ATOM 0 H GLY A 16 -16.852 -0.450 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -15.479 -0.706 -7.557 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.102 -0.108 -7.277 1.00 0.00 H new ATOM 229 N ALA A 17 -16.281 2.375 -6.630 1.00 0.00 N ATOM 230 CA ALA A 17 -15.923 3.778 -6.801 1.00 0.00 C ATOM 231 C ALA A 17 -14.557 4.074 -6.190 1.00 0.00 C ATOM 232 O ALA A 17 -13.731 4.757 -6.794 1.00 0.00 O ATOM 233 CB ALA A 17 -16.986 4.673 -6.182 1.00 0.00 C ATOM 0 H ALA A 17 -17.095 2.217 -6.036 1.00 0.00 H new ATOM 0 HA ALA A 17 -15.867 3.986 -7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -16.706 5.718 -6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -17.944 4.489 -6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.071 4.455 -5.117 1.00 0.00 H new ATOM 239 N ALA A 18 -14.326 3.557 -4.987 1.00 0.00 N ATOM 240 CA ALA A 18 -13.059 3.768 -4.297 1.00 0.00 C ATOM 241 C ALA A 18 -11.882 3.384 -5.186 1.00 0.00 C ATOM 242 O ALA A 18 -10.949 4.165 -5.370 1.00 0.00 O ATOM 243 CB ALA A 18 -13.025 2.973 -3.000 1.00 0.00 C ATOM 0 H ALA A 18 -14.999 2.990 -4.471 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.973 4.829 -4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.073 3.140 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.840 3.297 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.137 1.912 -3.221 1.00 0.00 H new ATOM 249 N ALA A 19 -11.935 2.177 -5.740 1.00 0.00 N ATOM 250 CA ALA A 19 -10.874 1.691 -6.613 1.00 0.00 C ATOM 251 C ALA A 19 -10.797 2.523 -7.888 1.00 0.00 C ATOM 252 O ALA A 19 -9.709 2.808 -8.391 1.00 0.00 O ATOM 253 CB ALA A 19 -11.099 0.224 -6.949 1.00 0.00 C ATOM 0 H ALA A 19 -12.701 1.518 -5.600 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.925 1.789 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.299 -0.127 -7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.102 -0.363 -6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.057 0.110 -7.456 1.00 0.00 H new ATOM 259 N ARG A 20 -11.958 2.914 -8.402 1.00 0.00 N ATOM 260 CA ARG A 20 -12.026 3.719 -9.617 1.00 0.00 C ATOM 261 C ARG A 20 -11.524 5.137 -9.357 1.00 0.00 C ATOM 262 O ARG A 20 -11.373 5.931 -10.284 1.00 0.00 O ATOM 263 CB ARG A 20 -13.463 3.769 -10.137 1.00 0.00 C ATOM 264 CG ARG A 20 -13.805 2.647 -11.102 1.00 0.00 C ATOM 265 CD ARG A 20 -15.201 2.821 -11.679 1.00 0.00 C ATOM 266 NE ARG A 20 -16.032 1.639 -11.471 1.00 0.00 N ATOM 267 CZ ARG A 20 -17.348 1.622 -11.660 1.00 0.00 C ATOM 268 NH1 ARG A 20 -17.975 2.718 -12.067 1.00 0.00 N ATOM 269 NH2 ARG A 20 -18.037 0.510 -11.445 1.00 0.00 N ATOM 0 H ARG A 20 -12.866 2.687 -7.996 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.387 3.255 -10.368 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.148 3.728 -9.290 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.627 4.725 -10.634 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.075 2.625 -11.911 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.739 1.689 -10.587 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.679 3.685 -11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.128 3.029 -12.746 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.578 0.779 -11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.447 3.575 -12.235 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.985 2.704 -12.212 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.558 -0.335 -11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.046 0.499 -11.591 1.00 0.00 H new ATOM 283 N GLY A 21 -11.277 5.448 -8.088 1.00 0.00 N ATOM 284 CA GLY A 21 -10.805 6.770 -7.726 1.00 0.00 C ATOM 285 C GLY A 21 -11.813 7.517 -6.876 1.00 0.00 C ATOM 286 O GLY A 21 -11.563 7.782 -5.700 1.00 0.00 O ATOM 0 H GLY A 21 -11.396 4.806 -7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.865 6.683 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.598 7.342 -8.631 1.00 0.00 H new ATOM 290 N ASP A 22 -12.958 7.839 -7.475 1.00 0.00 N ATOM 291 CA ASP A 22 -14.028 8.540 -6.794 1.00 0.00 C ATOM 292 C ASP A 22 -13.503 9.404 -5.652 1.00 0.00 C ATOM 293 O ASP A 22 -14.086 9.449 -4.570 1.00 0.00 O ATOM 294 CB ASP A 22 -15.061 7.525 -6.302 1.00 0.00 C ATOM 295 CG ASP A 22 -14.812 7.051 -4.883 1.00 0.00 C ATOM 296 OD1 ASP A 22 -13.657 7.150 -4.417 1.00 0.00 O ATOM 297 OD2 ASP A 22 -15.772 6.578 -4.238 1.00 0.00 O ATOM 0 H ASP A 22 -13.164 7.617 -8.449 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.506 9.221 -7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.054 7.971 -6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.060 6.664 -6.970 1.00 0.00 H new ATOM 302 N VAL A 23 -12.406 10.105 -5.906 1.00 0.00 N ATOM 303 CA VAL A 23 -11.822 10.974 -4.896 1.00 0.00 C ATOM 304 C VAL A 23 -12.890 11.903 -4.342 1.00 0.00 C ATOM 305 O VAL A 23 -12.900 12.222 -3.154 1.00 0.00 O ATOM 306 CB VAL A 23 -10.664 11.816 -5.467 1.00 0.00 C ATOM 307 CG1 VAL A 23 -11.180 12.794 -6.512 1.00 0.00 C ATOM 308 CG2 VAL A 23 -9.936 12.549 -4.352 1.00 0.00 C ATOM 0 H VAL A 23 -11.907 10.089 -6.795 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.423 10.340 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.955 11.145 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.349 13.380 -6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.651 12.242 -7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.911 13.462 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.122 13.138 -4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.632 13.210 -3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.531 11.825 -3.645 1.00 0.00 H new ATOM 318 N GLN A 24 -13.798 12.318 -5.216 1.00 0.00 N ATOM 319 CA GLN A 24 -14.892 13.191 -4.822 1.00 0.00 C ATOM 320 C GLN A 24 -15.934 12.410 -4.029 1.00 0.00 C ATOM 321 O GLN A 24 -16.445 12.888 -3.016 1.00 0.00 O ATOM 322 CB GLN A 24 -15.539 13.825 -6.055 1.00 0.00 C ATOM 323 CG GLN A 24 -14.684 14.898 -6.709 1.00 0.00 C ATOM 324 CD GLN A 24 -14.569 14.718 -8.209 1.00 0.00 C ATOM 325 OE1 GLN A 24 -15.106 13.766 -8.776 1.00 0.00 O ATOM 326 NE2 GLN A 24 -13.864 15.635 -8.863 1.00 0.00 N ATOM 0 H GLN A 24 -13.797 12.063 -6.204 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.490 13.983 -4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -15.749 13.044 -6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -16.497 14.260 -5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.112 15.878 -6.496 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.688 14.882 -6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -13.436 16.408 -8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.751 15.566 -9.874 1.00 0.00 H new ATOM 335 N GLU A 25 -16.244 11.203 -4.500 1.00 0.00 N ATOM 336 CA GLU A 25 -17.227 10.352 -3.837 1.00 0.00 C ATOM 337 C GLU A 25 -16.661 9.745 -2.557 1.00 0.00 C ATOM 338 O GLU A 25 -17.408 9.406 -1.639 1.00 0.00 O ATOM 339 CB GLU A 25 -17.693 9.239 -4.777 1.00 0.00 C ATOM 340 CG GLU A 25 -17.956 9.713 -6.197 1.00 0.00 C ATOM 341 CD GLU A 25 -16.837 9.339 -7.151 1.00 0.00 C ATOM 342 OE1 GLU A 25 -15.701 9.818 -6.948 1.00 0.00 O ATOM 343 OE2 GLU A 25 -17.097 8.571 -8.100 1.00 0.00 O ATOM 0 H GLU A 25 -15.829 10.794 -5.337 1.00 0.00 H new ATOM 0 HA GLU A 25 -18.080 10.977 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.938 8.453 -4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -18.604 8.794 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.892 9.282 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -18.083 10.796 -6.198 1.00 0.00 H new ATOM 350 N VAL A 26 -15.341 9.603 -2.502 1.00 0.00 N ATOM 351 CA VAL A 26 -14.688 9.030 -1.332 1.00 0.00 C ATOM 352 C VAL A 26 -15.128 9.745 -0.060 1.00 0.00 C ATOM 353 O VAL A 26 -15.355 9.115 0.972 1.00 0.00 O ATOM 354 CB VAL A 26 -13.147 9.085 -1.455 1.00 0.00 C ATOM 355 CG1 VAL A 26 -12.609 10.442 -1.021 1.00 0.00 C ATOM 356 CG2 VAL A 26 -12.508 7.969 -0.643 1.00 0.00 C ATOM 0 H VAL A 26 -14.705 9.876 -3.251 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.990 7.984 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.887 8.943 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.523 10.451 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.036 11.221 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.882 10.626 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.424 8.023 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.783 8.079 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.858 7.005 -1.011 1.00 0.00 H new ATOM 366 N ARG A 27 -15.256 11.065 -0.146 1.00 0.00 N ATOM 367 CA ARG A 27 -15.679 11.866 0.995 1.00 0.00 C ATOM 368 C ARG A 27 -17.170 11.684 1.256 1.00 0.00 C ATOM 369 O ARG A 27 -17.589 11.453 2.390 1.00 0.00 O ATOM 370 CB ARG A 27 -15.367 13.343 0.755 1.00 0.00 C ATOM 371 CG ARG A 27 -13.920 13.606 0.370 1.00 0.00 C ATOM 372 CD ARG A 27 -13.788 14.860 -0.479 1.00 0.00 C ATOM 373 NE ARG A 27 -12.393 15.195 -0.746 1.00 0.00 N ATOM 374 CZ ARG A 27 -12.014 16.258 -1.448 1.00 0.00 C ATOM 375 NH1 ARG A 27 -12.922 17.085 -1.946 1.00 0.00 N ATOM 376 NH2 ARG A 27 -10.726 16.495 -1.653 1.00 0.00 N ATOM 0 H ARG A 27 -15.073 11.602 -0.994 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.128 11.527 1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -16.018 13.719 -0.034 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -15.602 13.906 1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.316 13.710 1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -13.527 12.750 -0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -14.313 14.716 -1.423 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -14.270 15.695 0.030 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.670 14.580 -0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.914 16.906 -1.791 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.629 17.900 -2.484 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.024 15.861 -1.272 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.437 17.311 -2.192 1.00 0.00 H new ATOM 390 N ARG A 28 -17.966 11.794 0.196 1.00 0.00 N ATOM 391 CA ARG A 28 -19.413 11.645 0.309 1.00 0.00 C ATOM 392 C ARG A 28 -19.794 10.220 0.697 1.00 0.00 C ATOM 393 O ARG A 28 -20.815 9.993 1.340 1.00 0.00 O ATOM 394 CB ARG A 28 -20.088 12.025 -1.011 1.00 0.00 C ATOM 395 CG ARG A 28 -20.582 13.462 -1.048 1.00 0.00 C ATOM 396 CD ARG A 28 -21.004 13.872 -2.449 1.00 0.00 C ATOM 397 NE ARG A 28 -22.219 14.681 -2.439 1.00 0.00 N ATOM 398 CZ ARG A 28 -22.681 15.329 -3.504 1.00 0.00 C ATOM 399 NH1 ARG A 28 -22.030 15.261 -4.657 1.00 0.00 N ATOM 400 NH2 ARG A 28 -23.791 16.047 -3.416 1.00 0.00 N ATOM 0 H ARG A 28 -17.634 11.985 -0.749 1.00 0.00 H new ATOM 0 HA ARG A 28 -19.758 12.315 1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -19.383 11.870 -1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -20.930 11.355 -1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -21.424 13.576 -0.366 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -19.794 14.128 -0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -20.198 14.434 -2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -21.167 12.980 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 28 -22.743 14.753 -1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -21.174 14.711 -4.728 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -22.385 15.759 -5.473 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -24.293 16.103 -2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -24.144 16.543 -4.234 1.00 0.00 H new ATOM 414 N LEU A 29 -18.967 9.262 0.300 1.00 0.00 N ATOM 415 CA LEU A 29 -19.228 7.861 0.609 1.00 0.00 C ATOM 416 C LEU A 29 -19.402 7.653 2.112 1.00 0.00 C ATOM 417 O LEU A 29 -20.491 7.322 2.581 1.00 0.00 O ATOM 418 CB LEU A 29 -18.089 6.983 0.090 1.00 0.00 C ATOM 419 CG LEU A 29 -18.269 6.470 -1.340 1.00 0.00 C ATOM 420 CD1 LEU A 29 -16.923 6.117 -1.954 1.00 0.00 C ATOM 421 CD2 LEU A 29 -19.199 5.266 -1.360 1.00 0.00 C ATOM 0 H LEU A 29 -18.114 9.427 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 29 -20.156 7.574 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.160 7.551 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -17.978 6.127 0.756 1.00 0.00 H new ATOM 0 HG LEU A 29 -18.720 7.263 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -17.071 5.754 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -16.288 7.003 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -16.444 5.341 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -19.316 4.914 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -18.776 4.469 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -20.172 5.551 -0.961 1.00 0.00 H new ATOM 433 N LEU A 30 -18.321 7.840 2.859 1.00 0.00 N ATOM 434 CA LEU A 30 -18.350 7.662 4.307 1.00 0.00 C ATOM 435 C LEU A 30 -19.082 8.806 5.008 1.00 0.00 C ATOM 436 O LEU A 30 -19.988 8.575 5.809 1.00 0.00 O ATOM 437 CB LEU A 30 -16.924 7.550 4.853 1.00 0.00 C ATOM 438 CG LEU A 30 -15.889 7.023 3.856 1.00 0.00 C ATOM 439 CD1 LEU A 30 -14.546 6.819 4.542 1.00 0.00 C ATOM 440 CD2 LEU A 30 -16.368 5.727 3.224 1.00 0.00 C ATOM 0 H LEU A 30 -17.412 8.115 2.487 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.896 6.741 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.605 8.533 5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.935 6.894 5.723 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.764 7.763 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.821 6.444 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.196 7.769 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.657 6.098 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.619 5.368 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.523 4.979 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.306 5.904 2.698 1.00 0.00 H new ATOM 452 N HIS A 31 -18.670 10.037 4.720 1.00 0.00 N ATOM 453 CA HIS A 31 -19.272 11.214 5.343 1.00 0.00 C ATOM 454 C HIS A 31 -20.718 11.428 4.899 1.00 0.00 C ATOM 455 O HIS A 31 -21.395 12.328 5.398 1.00 0.00 O ATOM 456 CB HIS A 31 -18.441 12.459 5.032 1.00 0.00 C ATOM 457 CG HIS A 31 -17.048 12.395 5.577 1.00 0.00 C ATOM 458 ND1 HIS A 31 -16.795 11.911 6.837 1.00 0.00 N ATOM 459 CD2 HIS A 31 -15.877 12.762 5.001 1.00 0.00 C ATOM 460 CE1 HIS A 31 -15.487 11.990 7.001 1.00 0.00 C ATOM 461 NE2 HIS A 31 -14.888 12.501 5.914 1.00 0.00 N ATOM 0 H HIS A 31 -17.922 10.247 4.059 1.00 0.00 H new ATOM 0 HA HIS A 31 -19.282 11.040 6.419 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.395 12.595 3.952 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.944 13.335 5.442 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -15.748 13.179 4.013 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.966 11.683 7.896 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.889 12.664 5.791 1.00 0.00 H new ATOM 469 N ARG A 32 -21.194 10.611 3.966 1.00 0.00 N ATOM 470 CA ARG A 32 -22.564 10.738 3.480 1.00 0.00 C ATOM 471 C ARG A 32 -23.189 9.371 3.217 1.00 0.00 C ATOM 472 O ARG A 32 -24.227 9.034 3.788 1.00 0.00 O ATOM 473 CB ARG A 32 -22.601 11.586 2.208 1.00 0.00 C ATOM 474 CG ARG A 32 -23.601 12.728 2.266 1.00 0.00 C ATOM 475 CD ARG A 32 -22.976 13.985 2.850 1.00 0.00 C ATOM 476 NE ARG A 32 -22.770 15.016 1.837 1.00 0.00 N ATOM 477 CZ ARG A 32 -22.629 16.307 2.118 1.00 0.00 C ATOM 478 NH1 ARG A 32 -22.674 16.722 3.377 1.00 0.00 N ATOM 479 NH2 ARG A 32 -22.445 17.185 1.142 1.00 0.00 N ATOM 0 H ARG A 32 -20.657 9.859 3.534 1.00 0.00 H new ATOM 0 HA ARG A 32 -23.148 11.233 4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -21.607 11.994 2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.844 10.945 1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -23.974 12.938 1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -24.459 12.432 2.870 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -23.618 14.376 3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -22.021 13.734 3.311 1.00 0.00 H new ATOM 0 HE ARG A 32 -22.732 14.729 0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -22.817 16.050 4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.566 17.713 3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.411 16.870 0.172 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.337 18.175 1.361 1.00 0.00 H new ATOM 493 N GLU A 33 -22.557 8.586 2.350 1.00 0.00 N ATOM 494 CA GLU A 33 -23.061 7.258 2.018 1.00 0.00 C ATOM 495 C GLU A 33 -22.907 6.299 3.197 1.00 0.00 C ATOM 496 O GLU A 33 -23.352 5.153 3.137 1.00 0.00 O ATOM 497 CB GLU A 33 -22.333 6.700 0.793 1.00 0.00 C ATOM 498 CG GLU A 33 -23.181 5.751 -0.038 1.00 0.00 C ATOM 499 CD GLU A 33 -22.813 4.297 0.181 1.00 0.00 C ATOM 500 OE1 GLU A 33 -21.798 3.849 -0.393 1.00 0.00 O ATOM 501 OE2 GLU A 33 -23.539 3.606 0.926 1.00 0.00 O ATOM 0 H GLU A 33 -21.697 8.845 1.866 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.122 7.352 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -22.009 7.529 0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.434 6.178 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -24.232 5.897 0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -23.065 5.996 -1.094 1.00 0.00 H new ATOM 508 N LEU A 34 -22.276 6.774 4.267 1.00 0.00 N ATOM 509 CA LEU A 34 -22.069 5.953 5.456 1.00 0.00 C ATOM 510 C LEU A 34 -21.709 4.522 5.075 1.00 0.00 C ATOM 511 O LEU A 34 -22.057 3.575 5.781 1.00 0.00 O ATOM 512 CB LEU A 34 -23.326 5.959 6.328 1.00 0.00 C ATOM 513 CG LEU A 34 -23.129 6.510 7.741 1.00 0.00 C ATOM 514 CD1 LEU A 34 -22.750 7.983 7.690 1.00 0.00 C ATOM 515 CD2 LEU A 34 -24.388 6.309 8.572 1.00 0.00 C ATOM 0 H LEU A 34 -21.900 7.720 4.335 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.239 6.378 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -24.094 6.549 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -23.704 4.939 6.401 1.00 0.00 H new ATOM 0 HG LEU A 34 -22.315 5.962 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.614 8.359 8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -21.821 8.101 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -23.543 8.546 7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -24.230 6.707 9.574 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -25.221 6.831 8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -24.616 5.245 8.636 1.00 0.00 H new ATOM 527 N VAL A 35 -21.012 4.371 3.954 1.00 0.00 N ATOM 528 CA VAL A 35 -20.606 3.054 3.477 1.00 0.00 C ATOM 529 C VAL A 35 -19.737 2.339 4.508 1.00 0.00 C ATOM 530 O VAL A 35 -19.258 2.952 5.462 1.00 0.00 O ATOM 531 CB VAL A 35 -19.830 3.152 2.151 1.00 0.00 C ATOM 532 CG1 VAL A 35 -18.440 3.721 2.387 1.00 0.00 C ATOM 533 CG2 VAL A 35 -19.751 1.791 1.475 1.00 0.00 C ATOM 0 H VAL A 35 -20.716 5.145 3.359 1.00 0.00 H new ATOM 0 HA VAL A 35 -21.519 2.482 3.315 1.00 0.00 H new ATOM 0 HB VAL A 35 -20.366 3.830 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.906 3.783 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -18.524 4.717 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.892 3.072 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.199 1.881 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.240 1.088 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -20.758 1.428 1.269 1.00 0.00 H new ATOM 543 N HIS A 36 -19.538 1.040 4.308 1.00 0.00 N ATOM 544 CA HIS A 36 -18.727 0.242 5.220 1.00 0.00 C ATOM 545 C HIS A 36 -17.314 0.063 4.675 1.00 0.00 C ATOM 546 O HIS A 36 -17.123 -0.219 3.493 1.00 0.00 O ATOM 547 CB HIS A 36 -19.374 -1.126 5.449 1.00 0.00 C ATOM 548 CG HIS A 36 -19.584 -1.457 6.894 1.00 0.00 C ATOM 549 ND1 HIS A 36 -18.855 -2.438 7.519 1.00 0.00 N ATOM 550 CD2 HIS A 36 -20.447 -0.911 7.785 1.00 0.00 C ATOM 551 CE1 HIS A 36 -19.284 -2.471 8.768 1.00 0.00 C ATOM 552 NE2 HIS A 36 -20.250 -1.562 8.976 1.00 0.00 N ATOM 0 H HIS A 36 -19.927 0.518 3.523 1.00 0.00 H new ATOM 0 HA HIS A 36 -18.667 0.771 6.171 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -20.335 -1.154 4.935 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -18.748 -1.895 4.996 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -18.130 -3.023 7.104 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -21.153 -0.117 7.594 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -18.906 -3.143 9.525 1.00 0.00 H new ATOM 560 N PRO A 37 -16.302 0.228 5.540 1.00 0.00 N ATOM 561 CA PRO A 37 -14.896 0.086 5.151 1.00 0.00 C ATOM 562 C PRO A 37 -14.517 -1.363 4.866 1.00 0.00 C ATOM 563 O PRO A 37 -13.433 -1.642 4.352 1.00 0.00 O ATOM 564 CB PRO A 37 -14.136 0.606 6.372 1.00 0.00 C ATOM 565 CG PRO A 37 -15.065 0.386 7.516 1.00 0.00 C ATOM 566 CD PRO A 37 -16.453 0.566 6.966 1.00 0.00 C ATOM 0 HA PRO A 37 -14.672 0.625 4.231 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.199 0.068 6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.885 1.661 6.263 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -14.938 -0.612 7.935 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.869 1.096 8.319 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.169 -0.090 7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.810 1.587 7.101 1.00 0.00 H new ATOM 574 N ASP A 38 -15.415 -2.282 5.202 1.00 0.00 N ATOM 575 CA ASP A 38 -15.172 -3.703 4.982 1.00 0.00 C ATOM 576 C ASP A 38 -16.099 -4.250 3.901 1.00 0.00 C ATOM 577 O ASP A 38 -16.761 -5.269 4.095 1.00 0.00 O ATOM 578 CB ASP A 38 -15.368 -4.487 6.283 1.00 0.00 C ATOM 579 CG ASP A 38 -15.312 -3.601 7.511 1.00 0.00 C ATOM 580 OD1 ASP A 38 -14.193 -3.240 7.933 1.00 0.00 O ATOM 581 OD2 ASP A 38 -16.387 -3.268 8.051 1.00 0.00 O ATOM 0 H ASP A 38 -16.317 -2.069 5.627 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.141 -3.822 4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -16.330 -4.999 6.253 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -14.599 -5.256 6.359 1.00 0.00 H new ATOM 586 N ALA A 39 -16.140 -3.566 2.763 1.00 0.00 N ATOM 587 CA ALA A 39 -16.984 -3.982 1.649 1.00 0.00 C ATOM 588 C ALA A 39 -16.165 -4.688 0.575 1.00 0.00 C ATOM 589 O ALA A 39 -15.282 -4.089 -0.040 1.00 0.00 O ATOM 590 CB ALA A 39 -17.709 -2.781 1.060 1.00 0.00 C ATOM 0 H ALA A 39 -15.598 -2.720 2.588 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.723 -4.688 2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.336 -3.106 0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.332 -2.321 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.979 -2.055 0.702 1.00 0.00 H new ATOM 596 N LEU A 40 -16.462 -5.963 0.355 1.00 0.00 N ATOM 597 CA LEU A 40 -15.751 -6.751 -0.644 1.00 0.00 C ATOM 598 C LEU A 40 -16.532 -6.807 -1.953 1.00 0.00 C ATOM 599 O LEU A 40 -17.717 -6.475 -1.996 1.00 0.00 O ATOM 600 CB LEU A 40 -15.503 -8.169 -0.124 1.00 0.00 C ATOM 601 CG LEU A 40 -14.499 -8.270 1.025 1.00 0.00 C ATOM 602 CD1 LEU A 40 -14.555 -7.024 1.895 1.00 0.00 C ATOM 603 CD2 LEU A 40 -14.765 -9.515 1.858 1.00 0.00 C ATOM 0 H LEU A 40 -17.190 -6.473 0.855 1.00 0.00 H new ATOM 0 HA LEU A 40 -14.793 -6.268 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -16.453 -8.590 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.150 -8.786 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.498 -8.347 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.834 -7.115 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.315 -6.148 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.557 -6.915 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.041 -9.570 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.772 -9.468 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -14.673 -10.400 1.229 1.00 0.00 H new ATOM 615 N ASN A 41 -15.858 -7.226 -3.020 1.00 0.00 N ATOM 616 CA ASN A 41 -16.487 -7.325 -4.332 1.00 0.00 C ATOM 617 C ASN A 41 -16.674 -8.784 -4.737 1.00 0.00 C ATOM 618 O ASN A 41 -16.369 -9.169 -5.866 1.00 0.00 O ATOM 619 CB ASN A 41 -15.643 -6.599 -5.381 1.00 0.00 C ATOM 620 CG ASN A 41 -14.435 -7.407 -5.812 1.00 0.00 C ATOM 621 OD1 ASN A 41 -14.420 -7.992 -6.895 1.00 0.00 O ATOM 622 ND2 ASN A 41 -13.414 -7.445 -4.964 1.00 0.00 N ATOM 0 H ASN A 41 -14.876 -7.502 -3.001 1.00 0.00 H new ATOM 0 HA ASN A 41 -17.468 -6.853 -4.273 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.260 -6.381 -6.252 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -15.311 -5.642 -4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.574 -7.974 -5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.469 -6.945 -4.077 1.00 0.00 H new ATOM 629 N ARG A 42 -17.176 -9.590 -3.808 1.00 0.00 N ATOM 630 CA ARG A 42 -17.405 -11.007 -4.067 1.00 0.00 C ATOM 631 C ARG A 42 -16.122 -11.690 -4.532 1.00 0.00 C ATOM 632 O ARG A 42 -16.164 -12.742 -5.171 1.00 0.00 O ATOM 633 CB ARG A 42 -18.499 -11.184 -5.121 1.00 0.00 C ATOM 634 CG ARG A 42 -19.386 -12.395 -4.879 1.00 0.00 C ATOM 635 CD ARG A 42 -18.807 -13.646 -5.522 1.00 0.00 C ATOM 636 NE ARG A 42 -18.228 -14.550 -4.532 1.00 0.00 N ATOM 637 CZ ARG A 42 -18.946 -15.219 -3.637 1.00 0.00 C ATOM 638 NH1 ARG A 42 -20.264 -15.085 -3.605 1.00 0.00 N ATOM 639 NH2 ARG A 42 -18.345 -16.023 -2.770 1.00 0.00 N ATOM 0 H ARG A 42 -17.432 -9.286 -2.869 1.00 0.00 H new ATOM 0 HA ARG A 42 -17.727 -11.473 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -19.119 -10.288 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -18.035 -11.274 -6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -19.501 -12.555 -3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -20.381 -12.205 -5.281 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -19.590 -14.166 -6.074 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -18.042 -13.362 -6.245 1.00 0.00 H new ATOM 0 HE ARG A 42 -17.216 -14.675 -4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -20.730 -14.467 -4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -20.812 -15.600 -2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.331 -16.128 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -18.897 -16.536 -2.083 1.00 0.00 H new ATOM 653 N PHE A 43 -14.984 -11.087 -4.207 1.00 0.00 N ATOM 654 CA PHE A 43 -13.690 -11.639 -4.592 1.00 0.00 C ATOM 655 C PHE A 43 -12.821 -11.901 -3.366 1.00 0.00 C ATOM 656 O PHE A 43 -11.760 -12.517 -3.466 1.00 0.00 O ATOM 657 CB PHE A 43 -12.970 -10.688 -5.549 1.00 0.00 C ATOM 658 CG PHE A 43 -12.404 -11.368 -6.762 1.00 0.00 C ATOM 659 CD1 PHE A 43 -13.222 -12.125 -7.593 1.00 0.00 C ATOM 660 CD2 PHE A 43 -11.054 -11.254 -7.074 1.00 0.00 C ATOM 661 CE1 PHE A 43 -12.705 -12.756 -8.714 1.00 0.00 C ATOM 662 CE2 PHE A 43 -10.530 -11.882 -8.193 1.00 0.00 C ATOM 663 CZ PHE A 43 -11.351 -12.629 -9.014 1.00 0.00 C ATOM 0 H PHE A 43 -14.931 -10.216 -3.678 1.00 0.00 H new ATOM 0 HA PHE A 43 -13.866 -12.588 -5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -13.666 -9.913 -5.869 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.163 -10.189 -5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -14.273 -12.223 -7.363 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.406 -10.670 -6.437 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -13.349 -13.343 -9.352 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.479 -11.787 -8.423 1.00 0.00 H new ATOM 0 HZ PHE A 43 -10.943 -13.115 -9.888 1.00 0.00 H new ATOM 673 N GLY A 44 -13.276 -11.427 -2.210 1.00 0.00 N ATOM 674 CA GLY A 44 -12.525 -11.622 -0.984 1.00 0.00 C ATOM 675 C GLY A 44 -11.530 -10.507 -0.732 1.00 0.00 C ATOM 676 O GLY A 44 -10.567 -10.681 0.017 1.00 0.00 O ATOM 0 H GLY A 44 -14.150 -10.912 -2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.216 -11.685 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.996 -12.573 -1.033 1.00 0.00 H new ATOM 680 N LYS A 45 -11.761 -9.358 -1.358 1.00 0.00 N ATOM 681 CA LYS A 45 -10.878 -8.208 -1.200 1.00 0.00 C ATOM 682 C LYS A 45 -11.596 -7.067 -0.489 1.00 0.00 C ATOM 683 O LYS A 45 -12.790 -6.851 -0.692 1.00 0.00 O ATOM 684 CB LYS A 45 -10.370 -7.737 -2.563 1.00 0.00 C ATOM 685 CG LYS A 45 -10.382 -8.823 -3.627 1.00 0.00 C ATOM 686 CD LYS A 45 -10.276 -8.236 -5.025 1.00 0.00 C ATOM 687 CE LYS A 45 -8.828 -8.102 -5.466 1.00 0.00 C ATOM 688 NZ LYS A 45 -8.718 -7.589 -6.860 1.00 0.00 N ATOM 0 H LYS A 45 -12.553 -9.198 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.028 -8.514 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.984 -6.902 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.353 -7.360 -2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.553 -9.510 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.300 -9.404 -3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.814 -8.871 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.756 -7.258 -5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.303 -7.429 -4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.336 -9.072 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.715 -7.512 -7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.197 -8.244 -7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.165 -6.652 -6.921 1.00 0.00 H new ATOM 702 N THR A 46 -10.861 -6.339 0.346 1.00 0.00 N ATOM 703 CA THR A 46 -11.431 -5.219 1.086 1.00 0.00 C ATOM 704 C THR A 46 -11.317 -3.926 0.287 1.00 0.00 C ATOM 705 O THR A 46 -10.707 -3.896 -0.782 1.00 0.00 O ATOM 706 CB THR A 46 -10.728 -5.063 2.435 1.00 0.00 C ATOM 707 OG1 THR A 46 -9.334 -4.890 2.257 1.00 0.00 O ATOM 708 CG2 THR A 46 -10.931 -6.246 3.356 1.00 0.00 C ATOM 0 H THR A 46 -9.871 -6.504 0.527 1.00 0.00 H new ATOM 0 HA THR A 46 -12.487 -5.427 1.257 1.00 0.00 H new ATOM 0 HB THR A 46 -11.179 -4.184 2.896 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.902 -4.790 3.131 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.406 -6.070 4.295 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.995 -6.375 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.538 -7.146 2.884 1.00 0.00 H new ATOM 716 N ALA A 47 -11.909 -2.857 0.812 1.00 0.00 N ATOM 717 CA ALA A 47 -11.873 -1.561 0.148 1.00 0.00 C ATOM 718 C ALA A 47 -10.437 -1.093 -0.063 1.00 0.00 C ATOM 719 O ALA A 47 -10.110 -0.505 -1.094 1.00 0.00 O ATOM 720 CB ALA A 47 -12.652 -0.532 0.955 1.00 0.00 C ATOM 0 H ALA A 47 -12.419 -2.864 1.695 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.341 -1.669 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.616 0.432 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.689 -0.854 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.209 -0.436 1.946 1.00 0.00 H new ATOM 726 N LEU A 48 -9.585 -1.358 0.920 1.00 0.00 N ATOM 727 CA LEU A 48 -8.184 -0.967 0.842 1.00 0.00 C ATOM 728 C LEU A 48 -7.424 -1.856 -0.138 1.00 0.00 C ATOM 729 O LEU A 48 -6.489 -1.409 -0.802 1.00 0.00 O ATOM 730 CB LEU A 48 -7.539 -1.049 2.226 1.00 0.00 C ATOM 731 CG LEU A 48 -7.353 0.293 2.934 1.00 0.00 C ATOM 732 CD1 LEU A 48 -6.677 0.096 4.282 1.00 0.00 C ATOM 733 CD2 LEU A 48 -6.549 1.248 2.065 1.00 0.00 C ATOM 0 H LEU A 48 -9.841 -1.842 1.781 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.136 0.061 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.150 -1.694 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.565 -1.529 2.128 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.336 0.731 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.553 1.062 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.293 -0.551 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.700 -0.365 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.427 2.198 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.569 0.817 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.075 1.414 1.125 1.00 0.00 H new ATOM 745 N GLN A 49 -7.831 -3.119 -0.217 1.00 0.00 N ATOM 746 CA GLN A 49 -7.189 -4.079 -1.109 1.00 0.00 C ATOM 747 C GLN A 49 -7.551 -3.815 -2.568 1.00 0.00 C ATOM 748 O GLN A 49 -7.083 -4.513 -3.468 1.00 0.00 O ATOM 749 CB GLN A 49 -7.589 -5.504 -0.726 1.00 0.00 C ATOM 750 CG GLN A 49 -6.645 -6.566 -1.265 1.00 0.00 C ATOM 751 CD GLN A 49 -6.824 -7.906 -0.581 1.00 0.00 C ATOM 752 OE1 GLN A 49 -7.816 -8.601 -0.801 1.00 0.00 O ATOM 753 NE2 GLN A 49 -5.863 -8.276 0.258 1.00 0.00 N ATOM 0 H GLN A 49 -8.604 -3.502 0.327 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.111 -3.963 -1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.628 -5.582 0.361 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.595 -5.702 -1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.810 -6.684 -2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.616 -6.231 -1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.058 -7.669 0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.930 -9.167 0.749 1.00 0.00 H new ATOM 762 N VAL A 50 -8.387 -2.809 -2.799 1.00 0.00 N ATOM 763 CA VAL A 50 -8.807 -2.464 -4.153 1.00 0.00 C ATOM 764 C VAL A 50 -8.631 -0.976 -4.426 1.00 0.00 C ATOM 765 O VAL A 50 -8.111 -0.584 -5.470 1.00 0.00 O ATOM 766 CB VAL A 50 -10.278 -2.852 -4.405 1.00 0.00 C ATOM 767 CG1 VAL A 50 -10.382 -4.309 -4.826 1.00 0.00 C ATOM 768 CG2 VAL A 50 -11.123 -2.585 -3.168 1.00 0.00 C ATOM 0 H VAL A 50 -8.787 -2.219 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.169 -3.031 -4.831 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.662 -2.235 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.428 -4.564 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.814 -4.464 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.979 -4.945 -4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.157 -2.865 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.742 -3.173 -2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.076 -1.525 -2.917 1.00 0.00 H new ATOM 778 N MET A 51 -9.068 -0.148 -3.482 1.00 0.00 N ATOM 779 CA MET A 51 -8.955 1.299 -3.626 1.00 0.00 C ATOM 780 C MET A 51 -7.653 1.674 -4.326 1.00 0.00 C ATOM 781 O MET A 51 -6.610 1.067 -4.083 1.00 0.00 O ATOM 782 CB MET A 51 -9.027 1.979 -2.257 1.00 0.00 C ATOM 783 CG MET A 51 -7.723 1.923 -1.480 1.00 0.00 C ATOM 784 SD MET A 51 -6.777 3.452 -1.600 1.00 0.00 S ATOM 785 CE MET A 51 -5.106 2.829 -1.446 1.00 0.00 C ATOM 0 H MET A 51 -9.503 -0.454 -2.611 1.00 0.00 H new ATOM 0 HA MET A 51 -9.789 1.644 -4.237 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.314 3.022 -2.393 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.812 1.506 -1.667 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.938 1.715 -0.432 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.118 1.096 -1.852 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.398 3.620 -1.694 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.934 2.497 -0.422 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.966 1.990 -2.128 1.00 0.00 H new ATOM 795 N MET A 52 -7.721 2.673 -5.200 1.00 0.00 N ATOM 796 CA MET A 52 -6.544 3.122 -5.937 1.00 0.00 C ATOM 797 C MET A 52 -5.783 4.190 -5.158 1.00 0.00 C ATOM 798 O MET A 52 -6.379 4.991 -4.438 1.00 0.00 O ATOM 799 CB MET A 52 -6.956 3.669 -7.306 1.00 0.00 C ATOM 800 CG MET A 52 -7.906 4.852 -7.226 1.00 0.00 C ATOM 801 SD MET A 52 -7.190 6.365 -7.895 1.00 0.00 S ATOM 802 CE MET A 52 -8.286 6.679 -9.276 1.00 0.00 C ATOM 0 H MET A 52 -8.576 3.186 -5.415 1.00 0.00 H new ATOM 0 HA MET A 52 -5.885 2.265 -6.076 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.062 3.968 -7.853 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.429 2.872 -7.879 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.820 4.616 -7.770 1.00 0.00 H new ATOM 0 HG3 MET A 52 -8.188 5.017 -6.186 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.703 6.752 -10.194 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.003 5.862 -9.365 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.821 7.614 -9.111 1.00 0.00 H new ATOM 812 N PHE A 53 -4.462 4.197 -5.309 1.00 0.00 N ATOM 813 CA PHE A 53 -3.616 5.166 -4.623 1.00 0.00 C ATOM 814 C PHE A 53 -3.478 6.449 -5.438 1.00 0.00 C ATOM 815 O PHE A 53 -2.530 7.212 -5.257 1.00 0.00 O ATOM 816 CB PHE A 53 -2.233 4.567 -4.356 1.00 0.00 C ATOM 817 CG PHE A 53 -2.257 3.396 -3.417 1.00 0.00 C ATOM 818 CD1 PHE A 53 -3.041 2.279 -3.693 1.00 0.00 C ATOM 819 CD2 PHE A 53 -1.494 3.407 -2.255 1.00 0.00 C ATOM 820 CE1 PHE A 53 -3.062 1.198 -2.827 1.00 0.00 C ATOM 821 CE2 PHE A 53 -1.513 2.329 -1.385 1.00 0.00 C ATOM 822 CZ PHE A 53 -2.306 1.222 -1.676 1.00 0.00 C ATOM 0 H PHE A 53 -3.954 3.541 -5.902 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.090 5.413 -3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.793 4.254 -5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.585 5.340 -3.943 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.639 2.255 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.879 4.266 -2.028 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.672 0.336 -3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.916 2.347 -0.485 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.328 0.381 -0.998 1.00 0.00 H new ATOM 832 N GLY A 54 -4.430 6.681 -6.337 1.00 0.00 N ATOM 833 CA GLY A 54 -4.394 7.873 -7.164 1.00 0.00 C ATOM 834 C GLY A 54 -4.744 9.127 -6.389 1.00 0.00 C ATOM 835 O GLY A 54 -4.130 10.175 -6.583 1.00 0.00 O ATOM 0 H GLY A 54 -5.225 6.065 -6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.399 7.982 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.090 7.757 -7.994 1.00 0.00 H new ATOM 839 N SER A 55 -5.732 9.020 -5.507 1.00 0.00 N ATOM 840 CA SER A 55 -6.162 10.154 -4.698 1.00 0.00 C ATOM 841 C SER A 55 -5.767 9.959 -3.238 1.00 0.00 C ATOM 842 O SER A 55 -6.183 8.996 -2.596 1.00 0.00 O ATOM 843 CB SER A 55 -7.676 10.345 -4.808 1.00 0.00 C ATOM 844 OG SER A 55 -8.118 10.165 -6.143 1.00 0.00 O ATOM 0 H SER A 55 -6.250 8.159 -5.334 1.00 0.00 H new ATOM 0 HA SER A 55 -5.664 11.047 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.184 9.635 -4.155 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.946 11.344 -4.464 1.00 0.00 H new ATOM 0 HG SER A 55 -8.809 9.470 -6.168 1.00 0.00 H new ATOM 850 N PRO A 56 -4.954 10.878 -2.696 1.00 0.00 N ATOM 851 CA PRO A 56 -4.499 10.810 -1.303 1.00 0.00 C ATOM 852 C PRO A 56 -5.661 10.813 -0.318 1.00 0.00 C ATOM 853 O PRO A 56 -5.662 10.065 0.659 1.00 0.00 O ATOM 854 CB PRO A 56 -3.654 12.077 -1.135 1.00 0.00 C ATOM 855 CG PRO A 56 -3.268 12.467 -2.520 1.00 0.00 C ATOM 856 CD PRO A 56 -4.415 12.053 -3.396 1.00 0.00 C ATOM 0 HA PRO A 56 -3.951 9.890 -1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.222 12.868 -0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.775 11.887 -0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.091 13.540 -2.589 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.346 11.971 -2.823 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.159 12.844 -3.489 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.084 11.806 -4.405 1.00 0.00 H new ATOM 864 N ALA A 57 -6.651 11.660 -0.582 1.00 0.00 N ATOM 865 CA ALA A 57 -7.820 11.761 0.281 1.00 0.00 C ATOM 866 C ALA A 57 -8.592 10.448 0.309 1.00 0.00 C ATOM 867 O ALA A 57 -9.236 10.118 1.305 1.00 0.00 O ATOM 868 CB ALA A 57 -8.720 12.899 -0.175 1.00 0.00 C ATOM 0 H ALA A 57 -6.666 12.286 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.477 11.973 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -9.589 12.961 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.168 13.838 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.049 12.715 -1.198 1.00 0.00 H new ATOM 874 N VAL A 58 -8.516 9.698 -0.784 1.00 0.00 N ATOM 875 CA VAL A 58 -9.197 8.421 -0.875 1.00 0.00 C ATOM 876 C VAL A 58 -8.638 7.460 0.170 1.00 0.00 C ATOM 877 O VAL A 58 -9.388 6.826 0.912 1.00 0.00 O ATOM 878 CB VAL A 58 -9.051 7.826 -2.295 1.00 0.00 C ATOM 879 CG1 VAL A 58 -9.087 6.308 -2.268 1.00 0.00 C ATOM 880 CG2 VAL A 58 -10.133 8.374 -3.211 1.00 0.00 C ATOM 0 H VAL A 58 -7.988 9.956 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.259 8.574 -0.680 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.078 8.124 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.982 5.923 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.268 5.936 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.037 5.974 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.018 7.946 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.113 8.110 -2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.045 9.459 -3.270 1.00 0.00 H new ATOM 890 N ALA A 59 -7.314 7.370 0.226 1.00 0.00 N ATOM 891 CA ALA A 59 -6.649 6.501 1.185 1.00 0.00 C ATOM 892 C ALA A 59 -6.940 6.953 2.611 1.00 0.00 C ATOM 893 O ALA A 59 -7.176 6.133 3.499 1.00 0.00 O ATOM 894 CB ALA A 59 -5.149 6.480 0.928 1.00 0.00 C ATOM 0 H ALA A 59 -6.681 7.889 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.037 5.490 1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.665 5.826 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.958 6.110 -0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.749 7.489 1.026 1.00 0.00 H new ATOM 900 N LEU A 60 -6.926 8.265 2.820 1.00 0.00 N ATOM 901 CA LEU A 60 -7.195 8.833 4.135 1.00 0.00 C ATOM 902 C LEU A 60 -8.615 8.505 4.583 1.00 0.00 C ATOM 903 O LEU A 60 -8.835 8.060 5.711 1.00 0.00 O ATOM 904 CB LEU A 60 -6.990 10.349 4.108 1.00 0.00 C ATOM 905 CG LEU A 60 -6.841 11.007 5.481 1.00 0.00 C ATOM 906 CD1 LEU A 60 -8.204 11.374 6.048 1.00 0.00 C ATOM 907 CD2 LEU A 60 -6.096 10.086 6.436 1.00 0.00 C ATOM 0 H LEU A 60 -6.731 8.955 2.095 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.497 8.394 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.100 10.570 3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.835 10.805 3.593 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.261 11.922 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.078 11.841 7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.703 12.071 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.809 10.474 6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.999 10.571 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.650 9.154 6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.104 9.873 6.037 1.00 0.00 H new ATOM 919 N GLU A 61 -9.576 8.726 3.692 1.00 0.00 N ATOM 920 CA GLU A 61 -10.977 8.453 3.993 1.00 0.00 C ATOM 921 C GLU A 61 -11.196 6.965 4.250 1.00 0.00 C ATOM 922 O GLU A 61 -11.826 6.581 5.237 1.00 0.00 O ATOM 923 CB GLU A 61 -11.871 8.919 2.842 1.00 0.00 C ATOM 924 CG GLU A 61 -12.462 10.305 3.052 1.00 0.00 C ATOM 925 CD GLU A 61 -11.882 11.336 2.104 1.00 0.00 C ATOM 926 OE1 GLU A 61 -11.922 11.104 0.877 1.00 0.00 O ATOM 927 OE2 GLU A 61 -11.388 12.376 2.588 1.00 0.00 O ATOM 0 H GLU A 61 -9.410 9.094 2.755 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.242 9.005 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.291 8.916 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.683 8.203 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.543 10.259 2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.283 10.620 4.080 1.00 0.00 H new ATOM 934 N LEU A 62 -10.672 6.132 3.357 1.00 0.00 N ATOM 935 CA LEU A 62 -10.810 4.685 3.487 1.00 0.00 C ATOM 936 C LEU A 62 -10.124 4.188 4.755 1.00 0.00 C ATOM 937 O LEU A 62 -10.738 3.516 5.584 1.00 0.00 O ATOM 938 CB LEU A 62 -10.217 3.982 2.264 1.00 0.00 C ATOM 939 CG LEU A 62 -11.153 3.874 1.059 1.00 0.00 C ATOM 940 CD1 LEU A 62 -10.632 2.846 0.067 1.00 0.00 C ATOM 941 CD2 LEU A 62 -12.561 3.518 1.510 1.00 0.00 C ATOM 0 H LEU A 62 -10.148 6.433 2.535 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.872 4.450 3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.317 4.516 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.908 2.978 2.556 1.00 0.00 H new ATOM 0 HG LEU A 62 -11.186 4.843 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -11.311 2.784 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.643 3.144 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.568 1.872 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.214 3.445 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.545 2.562 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -12.935 4.292 2.181 1.00 0.00 H new ATOM 953 N LEU A 63 -8.847 4.525 4.900 1.00 0.00 N ATOM 954 CA LEU A 63 -8.078 4.115 6.068 1.00 0.00 C ATOM 955 C LEU A 63 -8.657 4.720 7.341 1.00 0.00 C ATOM 956 O LEU A 63 -8.779 4.044 8.363 1.00 0.00 O ATOM 957 CB LEU A 63 -6.614 4.530 5.913 1.00 0.00 C ATOM 958 CG LEU A 63 -5.598 3.544 6.495 1.00 0.00 C ATOM 959 CD1 LEU A 63 -4.185 3.937 6.094 1.00 0.00 C ATOM 960 CD2 LEU A 63 -5.727 3.480 8.010 1.00 0.00 C ATOM 0 H LEU A 63 -8.323 5.081 4.224 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.135 3.029 6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.400 4.665 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.474 5.499 6.393 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.806 2.554 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.476 3.225 6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.101 3.932 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.964 4.936 6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.998 2.774 8.408 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.544 4.468 8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.732 3.152 8.276 1.00 0.00 H new ATOM 972 N LYS A 64 -9.012 5.999 7.273 1.00 0.00 N ATOM 973 CA LYS A 64 -9.578 6.694 8.423 1.00 0.00 C ATOM 974 C LYS A 64 -10.906 6.069 8.839 1.00 0.00 C ATOM 975 O LYS A 64 -11.306 6.155 10.000 1.00 0.00 O ATOM 976 CB LYS A 64 -9.777 8.177 8.102 1.00 0.00 C ATOM 977 CG LYS A 64 -10.311 8.984 9.274 1.00 0.00 C ATOM 978 CD LYS A 64 -10.594 10.424 8.876 1.00 0.00 C ATOM 979 CE LYS A 64 -9.640 11.388 9.561 1.00 0.00 C ATOM 980 NZ LYS A 64 -10.233 11.975 10.794 1.00 0.00 N ATOM 0 H LYS A 64 -8.918 6.574 6.436 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.878 6.599 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.826 8.602 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.466 8.270 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.225 8.523 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.588 8.966 10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.504 10.528 7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.621 10.680 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.717 10.866 9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.374 12.188 8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.551 12.627 11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.100 12.495 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.463 11.214 11.465 1.00 0.00 H new ATOM 994 N GLN A 65 -11.584 5.441 7.884 1.00 0.00 N ATOM 995 CA GLN A 65 -12.867 4.801 8.153 1.00 0.00 C ATOM 996 C GLN A 65 -12.714 3.679 9.174 1.00 0.00 C ATOM 997 O GLN A 65 -13.700 3.195 9.732 1.00 0.00 O ATOM 998 CB GLN A 65 -13.468 4.251 6.859 1.00 0.00 C ATOM 999 CG GLN A 65 -14.980 4.096 6.904 1.00 0.00 C ATOM 1000 CD GLN A 65 -15.542 3.488 5.635 1.00 0.00 C ATOM 1001 OE1 GLN A 65 -16.865 3.469 5.523 1.00 0.00 O flip ATOM 1002 NE2 GLN A 65 -14.796 3.043 4.764 1.00 0.00 N flip ATOM 0 H GLN A 65 -11.267 5.361 6.918 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.539 5.553 8.566 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.204 4.915 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.019 3.282 6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -15.252 3.470 7.754 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.437 5.072 7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.785 3.078 4.892 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.189 2.639 3.914 1.00 0.00 H new ATOM 1011 N GLY A 66 -11.474 3.267 9.412 1.00 0.00 N ATOM 1012 CA GLY A 66 -11.217 2.202 10.366 1.00 0.00 C ATOM 1013 C GLY A 66 -11.119 0.841 9.706 1.00 0.00 C ATOM 1014 O GLY A 66 -11.927 -0.047 9.975 1.00 0.00 O ATOM 0 H GLY A 66 -10.642 3.650 8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.289 2.412 10.898 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.014 2.185 11.110 1.00 0.00 H new ATOM 1018 N ALA A 67 -10.126 0.676 8.837 1.00 0.00 N ATOM 1019 CA ALA A 67 -9.924 -0.587 8.138 1.00 0.00 C ATOM 1020 C ALA A 67 -8.546 -1.166 8.436 1.00 0.00 C ATOM 1021 O ALA A 67 -7.704 -0.506 9.046 1.00 0.00 O ATOM 1022 CB ALA A 67 -10.105 -0.395 6.640 1.00 0.00 C ATOM 0 H ALA A 67 -9.449 1.402 8.601 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.671 -1.295 8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.951 -1.346 6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.114 -0.034 6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.380 0.333 6.276 1.00 0.00 H new ATOM 1028 N SER A 68 -8.322 -2.402 8.003 1.00 0.00 N ATOM 1029 CA SER A 68 -7.045 -3.069 8.225 1.00 0.00 C ATOM 1030 C SER A 68 -6.244 -3.157 6.928 1.00 0.00 C ATOM 1031 O SER A 68 -6.484 -4.032 6.097 1.00 0.00 O ATOM 1032 CB SER A 68 -7.269 -4.470 8.795 1.00 0.00 C ATOM 1033 OG SER A 68 -8.651 -4.744 8.946 1.00 0.00 O ATOM 0 H SER A 68 -9.008 -2.962 7.497 1.00 0.00 H new ATOM 0 HA SER A 68 -6.476 -2.479 8.944 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.818 -5.211 8.135 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.770 -4.557 9.760 1.00 0.00 H new ATOM 0 HG SER A 68 -8.768 -5.646 9.310 1.00 0.00 H new ATOM 1039 N PRO A 69 -5.278 -2.246 6.745 1.00 0.00 N ATOM 1040 CA PRO A 69 -4.434 -2.216 5.545 1.00 0.00 C ATOM 1041 C PRO A 69 -3.523 -3.435 5.452 1.00 0.00 C ATOM 1042 O PRO A 69 -2.872 -3.659 4.432 1.00 0.00 O ATOM 1043 CB PRO A 69 -3.605 -0.940 5.721 1.00 0.00 C ATOM 1044 CG PRO A 69 -3.607 -0.680 7.188 1.00 0.00 C ATOM 1045 CD PRO A 69 -4.935 -1.174 7.692 1.00 0.00 C ATOM 0 HA PRO A 69 -5.026 -2.230 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -2.591 -1.073 5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.042 -0.106 5.172 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.785 -1.201 7.678 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.481 0.382 7.397 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.864 -1.547 8.714 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.685 -0.383 7.693 1.00 0.00 H new ATOM 1053 N ASN A 70 -3.483 -4.220 6.524 1.00 0.00 N ATOM 1054 CA ASN A 70 -2.653 -5.418 6.564 1.00 0.00 C ATOM 1055 C ASN A 70 -3.400 -6.616 5.989 1.00 0.00 C ATOM 1056 O ASN A 70 -3.674 -7.586 6.695 1.00 0.00 O ATOM 1057 CB ASN A 70 -2.216 -5.714 8.000 1.00 0.00 C ATOM 1058 CG ASN A 70 -2.145 -4.462 8.851 1.00 0.00 C ATOM 1059 OD1 ASN A 70 -1.721 -3.358 8.247 1.00 0.00 O flip ATOM 1060 ND2 ASN A 70 -2.466 -4.486 10.040 1.00 0.00 N flip ATOM 0 H ASN A 70 -4.016 -4.048 7.376 1.00 0.00 H new ATOM 0 HA ASN A 70 -1.768 -5.238 5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.915 -6.418 8.452 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.239 -6.198 7.987 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.787 -5.356 10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.411 -3.635 10.600 1.00 0.00 H new ATOM 1067 N VAL A 71 -3.727 -6.540 4.703 1.00 0.00 N ATOM 1068 CA VAL A 71 -4.442 -7.618 4.032 1.00 0.00 C ATOM 1069 C VAL A 71 -3.609 -8.211 2.902 1.00 0.00 C ATOM 1070 O VAL A 71 -3.129 -7.491 2.026 1.00 0.00 O ATOM 1071 CB VAL A 71 -5.785 -7.126 3.459 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -6.762 -6.813 4.582 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.575 -5.912 2.568 1.00 0.00 C ATOM 0 H VAL A 71 -3.508 -5.743 4.105 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.632 -8.387 4.781 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.212 -7.922 2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.705 -6.467 4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.938 -7.712 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.344 -6.035 5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.535 -5.580 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.124 -5.108 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.915 -6.177 1.742 1.00 0.00 H new ATOM 1083 N GLN A 72 -3.440 -9.529 2.926 1.00 0.00 N ATOM 1084 CA GLN A 72 -2.664 -10.219 1.903 1.00 0.00 C ATOM 1085 C GLN A 72 -3.581 -10.939 0.918 1.00 0.00 C ATOM 1086 O GLN A 72 -4.607 -11.496 1.306 1.00 0.00 O ATOM 1087 CB GLN A 72 -1.704 -11.220 2.547 1.00 0.00 C ATOM 1088 CG GLN A 72 -1.020 -10.690 3.797 1.00 0.00 C ATOM 1089 CD GLN A 72 -0.650 -11.791 4.772 1.00 0.00 C ATOM 1090 OE1 GLN A 72 -0.995 -12.955 4.571 1.00 0.00 O ATOM 1091 NE2 GLN A 72 0.057 -11.426 5.835 1.00 0.00 N ATOM 0 H GLN A 72 -3.830 -10.140 3.643 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.087 -9.473 1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.254 -12.126 2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.944 -11.502 1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.120 -10.146 3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.679 -9.977 4.293 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.321 -10.449 5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.336 -12.123 6.526 1.00 0.00 H new ATOM 1100 N ASP A 73 -3.204 -10.922 -0.355 1.00 0.00 N ATOM 1101 CA ASP A 73 -3.993 -11.574 -1.394 1.00 0.00 C ATOM 1102 C ASP A 73 -3.588 -13.037 -1.546 1.00 0.00 C ATOM 1103 O ASP A 73 -2.704 -13.523 -0.841 1.00 0.00 O ATOM 1104 CB ASP A 73 -3.824 -10.845 -2.728 1.00 0.00 C ATOM 1105 CG ASP A 73 -2.428 -11.000 -3.298 1.00 0.00 C ATOM 1106 OD1 ASP A 73 -1.506 -11.340 -2.528 1.00 0.00 O ATOM 1107 OD2 ASP A 73 -2.257 -10.782 -4.516 1.00 0.00 O ATOM 0 H ASP A 73 -2.357 -10.464 -0.693 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.041 -11.534 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.551 -11.230 -3.444 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.042 -9.786 -2.590 1.00 0.00 H new ATOM 1112 N ALA A 74 -4.242 -13.733 -2.470 1.00 0.00 N ATOM 1113 CA ALA A 74 -3.950 -15.140 -2.714 1.00 0.00 C ATOM 1114 C ALA A 74 -2.555 -15.318 -3.306 1.00 0.00 C ATOM 1115 O ALA A 74 -2.067 -16.440 -3.441 1.00 0.00 O ATOM 1116 CB ALA A 74 -4.997 -15.744 -3.637 1.00 0.00 C ATOM 0 H ALA A 74 -4.977 -13.346 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.979 -15.662 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.766 -16.795 -3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.981 -15.660 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.995 -15.211 -4.588 1.00 0.00 H new ATOM 1122 N SER A 75 -1.918 -14.205 -3.657 1.00 0.00 N ATOM 1123 CA SER A 75 -0.580 -14.241 -4.234 1.00 0.00 C ATOM 1124 C SER A 75 0.429 -13.565 -3.309 1.00 0.00 C ATOM 1125 O SER A 75 1.532 -13.216 -3.728 1.00 0.00 O ATOM 1126 CB SER A 75 -0.574 -13.558 -5.602 1.00 0.00 C ATOM 1127 OG SER A 75 -0.047 -12.246 -5.516 1.00 0.00 O ATOM 0 H SER A 75 -2.307 -13.268 -3.552 1.00 0.00 H new ATOM 0 HA SER A 75 -0.291 -15.285 -4.356 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.019 -14.146 -6.303 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.589 -13.520 -5.997 1.00 0.00 H new ATOM 0 HG SER A 75 -0.741 -11.635 -5.191 1.00 0.00 H new ATOM 1133 N GLY A 76 0.041 -13.385 -2.051 1.00 0.00 N ATOM 1134 CA GLY A 76 0.922 -12.752 -1.087 1.00 0.00 C ATOM 1135 C GLY A 76 1.293 -11.337 -1.481 1.00 0.00 C ATOM 1136 O GLY A 76 2.335 -11.110 -2.095 1.00 0.00 O ATOM 0 H GLY A 76 -0.867 -13.666 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.437 -12.739 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.830 -13.347 -0.984 1.00 0.00 H new ATOM 1140 N THR A 77 0.438 -10.384 -1.126 1.00 0.00 N ATOM 1141 CA THR A 77 0.680 -8.982 -1.446 1.00 0.00 C ATOM 1142 C THR A 77 -0.454 -8.104 -0.927 1.00 0.00 C ATOM 1143 O THR A 77 -1.626 -8.470 -1.015 1.00 0.00 O ATOM 1144 CB THR A 77 0.834 -8.802 -2.958 1.00 0.00 C ATOM 1145 OG1 THR A 77 2.137 -9.168 -3.376 1.00 0.00 O ATOM 1146 CG2 THR A 77 0.586 -7.384 -3.426 1.00 0.00 C ATOM 0 H THR A 77 -0.429 -10.557 -0.617 1.00 0.00 H new ATOM 0 HA THR A 77 1.604 -8.676 -0.957 1.00 0.00 H new ATOM 0 HB THR A 77 0.077 -9.449 -3.401 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.362 -10.050 -3.012 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.712 -7.330 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.430 -7.087 -3.164 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.296 -6.712 -2.944 1.00 0.00 H new ATOM 1154 N SER A 78 -0.098 -6.944 -0.385 1.00 0.00 N ATOM 1155 CA SER A 78 -1.088 -6.015 0.147 1.00 0.00 C ATOM 1156 C SER A 78 -1.065 -4.698 -0.616 1.00 0.00 C ATOM 1157 O SER A 78 -0.271 -4.510 -1.538 1.00 0.00 O ATOM 1158 CB SER A 78 -0.832 -5.749 1.632 1.00 0.00 C ATOM 1159 OG SER A 78 -0.355 -4.430 1.840 1.00 0.00 O ATOM 0 H SER A 78 0.867 -6.625 -0.303 1.00 0.00 H new ATOM 0 HA SER A 78 -2.070 -6.473 0.028 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.753 -5.899 2.195 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.105 -6.466 2.013 1.00 0.00 H new ATOM 0 HG SER A 78 0.587 -4.461 2.110 1.00 0.00 H new ATOM 1165 N PRO A 79 -1.939 -3.763 -0.223 1.00 0.00 N ATOM 1166 CA PRO A 79 -2.025 -2.447 -0.853 1.00 0.00 C ATOM 1167 C PRO A 79 -0.655 -1.798 -0.994 1.00 0.00 C ATOM 1168 O PRO A 79 -0.275 -1.346 -2.074 1.00 0.00 O ATOM 1169 CB PRO A 79 -2.896 -1.650 0.120 1.00 0.00 C ATOM 1170 CG PRO A 79 -3.733 -2.672 0.809 1.00 0.00 C ATOM 1171 CD PRO A 79 -2.904 -3.922 0.878 1.00 0.00 C ATOM 0 HA PRO A 79 -2.429 -2.496 -1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.286 -1.094 0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.514 -0.923 -0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.013 -2.336 1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.659 -2.849 0.261 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.401 -4.016 1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -3.515 -4.815 0.749 1.00 0.00 H new ATOM 1179 N VAL A 80 0.082 -1.759 0.110 1.00 0.00 N ATOM 1180 CA VAL A 80 1.410 -1.172 0.128 1.00 0.00 C ATOM 1181 C VAL A 80 2.299 -1.774 -0.962 1.00 0.00 C ATOM 1182 O VAL A 80 2.952 -1.049 -1.714 1.00 0.00 O ATOM 1183 CB VAL A 80 2.059 -1.343 1.525 1.00 0.00 C ATOM 1184 CG1 VAL A 80 3.211 -2.343 1.513 1.00 0.00 C ATOM 1185 CG2 VAL A 80 2.517 0.003 2.054 1.00 0.00 C ATOM 0 H VAL A 80 -0.224 -2.131 1.009 1.00 0.00 H new ATOM 0 HA VAL A 80 1.310 -0.107 -0.079 1.00 0.00 H new ATOM 0 HB VAL A 80 1.299 -1.750 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.631 -2.426 2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.844 -3.318 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.983 -2.001 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.972 -0.128 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.248 0.433 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.660 0.672 2.137 1.00 0.00 H new ATOM 1195 N HIS A 81 2.321 -3.100 -1.039 1.00 0.00 N ATOM 1196 CA HIS A 81 3.131 -3.796 -2.033 1.00 0.00 C ATOM 1197 C HIS A 81 2.843 -3.271 -3.435 1.00 0.00 C ATOM 1198 O HIS A 81 3.730 -2.744 -4.106 1.00 0.00 O ATOM 1199 CB HIS A 81 2.864 -5.301 -1.979 1.00 0.00 C ATOM 1200 CG HIS A 81 3.387 -5.959 -0.740 1.00 0.00 C ATOM 1201 ND1 HIS A 81 2.958 -5.579 0.508 1.00 0.00 N ATOM 1202 CD2 HIS A 81 4.294 -6.957 -0.612 1.00 0.00 C ATOM 1203 CE1 HIS A 81 3.608 -6.347 1.362 1.00 0.00 C ATOM 1204 NE2 HIS A 81 4.432 -7.198 0.731 1.00 0.00 N ATOM 0 H HIS A 81 1.787 -3.715 -0.425 1.00 0.00 H new ATOM 0 HA HIS A 81 4.180 -3.610 -1.801 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.790 -5.473 -2.046 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.318 -5.773 -2.850 1.00 0.00 H new ATOM 0 HD2 HIS A 81 4.809 -7.465 -1.414 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.491 -6.297 2.435 1.00 0.00 H new ATOM 0 HE2 HIS A 81 5.042 -7.890 1.166 1.00 0.00 H new ATOM 1212 N ASP A 82 1.597 -3.419 -3.870 1.00 0.00 N ATOM 1213 CA ASP A 82 1.190 -2.962 -5.192 1.00 0.00 C ATOM 1214 C ASP A 82 1.456 -1.468 -5.358 1.00 0.00 C ATOM 1215 O ASP A 82 2.113 -1.047 -6.309 1.00 0.00 O ATOM 1216 CB ASP A 82 -0.295 -3.254 -5.422 1.00 0.00 C ATOM 1217 CG ASP A 82 -1.155 -2.826 -4.251 1.00 0.00 C ATOM 1218 OD1 ASP A 82 -0.728 -1.928 -3.496 1.00 0.00 O ATOM 1219 OD2 ASP A 82 -2.260 -3.387 -4.090 1.00 0.00 O ATOM 0 H ASP A 82 0.851 -3.852 -3.326 1.00 0.00 H new ATOM 0 HA ASP A 82 1.779 -3.503 -5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.629 -2.738 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.430 -4.321 -5.598 1.00 0.00 H new ATOM 1224 N ALA A 83 0.938 -0.674 -4.428 1.00 0.00 N ATOM 1225 CA ALA A 83 1.112 0.773 -4.474 1.00 0.00 C ATOM 1226 C ALA A 83 2.582 1.154 -4.619 1.00 0.00 C ATOM 1227 O ALA A 83 2.919 2.095 -5.338 1.00 0.00 O ATOM 1228 CB ALA A 83 0.522 1.411 -3.226 1.00 0.00 C ATOM 0 H ALA A 83 0.394 -1.008 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 83 0.584 1.147 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.658 2.492 -3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.542 1.181 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.027 1.018 -2.343 1.00 0.00 H new ATOM 1234 N ALA A 84 3.455 0.421 -3.937 1.00 0.00 N ATOM 1235 CA ALA A 84 4.885 0.690 -3.999 1.00 0.00 C ATOM 1236 C ALA A 84 5.421 0.478 -5.411 1.00 0.00 C ATOM 1237 O ALA A 84 6.157 1.313 -5.939 1.00 0.00 O ATOM 1238 CB ALA A 84 5.632 -0.194 -3.010 1.00 0.00 C ATOM 0 H ALA A 84 3.197 -0.362 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 84 5.046 1.734 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.700 0.018 -3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.276 0.008 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.456 -1.242 -3.254 1.00 0.00 H new ATOM 1244 N ARG A 85 5.049 -0.645 -6.019 1.00 0.00 N ATOM 1245 CA ARG A 85 5.494 -0.967 -7.369 1.00 0.00 C ATOM 1246 C ARG A 85 4.779 -0.103 -8.406 1.00 0.00 C ATOM 1247 O ARG A 85 5.314 0.156 -9.484 1.00 0.00 O ATOM 1248 CB ARG A 85 5.250 -2.447 -7.669 1.00 0.00 C ATOM 1249 CG ARG A 85 5.399 -2.801 -9.139 1.00 0.00 C ATOM 1250 CD ARG A 85 5.028 -4.251 -9.405 1.00 0.00 C ATOM 1251 NE ARG A 85 4.582 -4.458 -10.779 1.00 0.00 N ATOM 1252 CZ ARG A 85 3.322 -4.309 -11.177 1.00 0.00 C ATOM 1253 NH1 ARG A 85 2.386 -3.957 -10.305 1.00 0.00 N ATOM 1254 NH2 ARG A 85 2.996 -4.511 -12.446 1.00 0.00 N ATOM 0 H ARG A 85 4.440 -1.347 -5.597 1.00 0.00 H new ATOM 0 HA ARG A 85 6.563 -0.760 -7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.949 -3.047 -7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.247 -2.716 -7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.765 -2.147 -9.738 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.427 -2.624 -9.454 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.889 -4.888 -9.203 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.238 -4.555 -8.718 1.00 0.00 H new ATOM 0 HE ARG A 85 5.276 -4.733 -11.474 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.632 -3.800 -9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.420 -3.843 -10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.712 -4.781 -13.120 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.029 -4.396 -12.749 1.00 0.00 H new ATOM 1268 N THR A 86 3.567 0.338 -8.078 1.00 0.00 N ATOM 1269 CA THR A 86 2.786 1.171 -8.988 1.00 0.00 C ATOM 1270 C THR A 86 3.378 2.572 -9.095 1.00 0.00 C ATOM 1271 O THR A 86 3.444 3.145 -10.183 1.00 0.00 O ATOM 1272 CB THR A 86 1.333 1.266 -8.517 1.00 0.00 C ATOM 1273 OG1 THR A 86 1.235 2.057 -7.347 1.00 0.00 O ATOM 1274 CG2 THR A 86 0.706 -0.078 -8.216 1.00 0.00 C ATOM 0 H THR A 86 3.106 0.133 -7.192 1.00 0.00 H new ATOM 0 HA THR A 86 2.816 0.702 -9.972 1.00 0.00 H new ATOM 0 HB THR A 86 0.793 1.720 -9.348 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.064 1.981 -6.831 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.323 0.066 -7.888 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.717 -0.694 -9.115 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.272 -0.575 -7.428 1.00 0.00 H new ATOM 1282 N GLY A 87 3.799 3.119 -7.961 1.00 0.00 N ATOM 1283 CA GLY A 87 4.371 4.453 -7.951 1.00 0.00 C ATOM 1284 C GLY A 87 3.348 5.507 -7.574 1.00 0.00 C ATOM 1285 O GLY A 87 2.926 6.301 -8.415 1.00 0.00 O ATOM 0 H GLY A 87 3.755 2.664 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.202 4.486 -7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.779 4.680 -8.936 1.00 0.00 H new ATOM 1289 N PHE A 88 2.949 5.511 -6.308 1.00 0.00 N ATOM 1290 CA PHE A 88 1.969 6.470 -5.815 1.00 0.00 C ATOM 1291 C PHE A 88 2.281 6.866 -4.377 1.00 0.00 C ATOM 1292 O PHE A 88 1.428 6.768 -3.495 1.00 0.00 O ATOM 1293 CB PHE A 88 0.558 5.881 -5.897 1.00 0.00 C ATOM 1294 CG PHE A 88 -0.019 5.894 -7.284 1.00 0.00 C ATOM 1295 CD1 PHE A 88 0.299 4.890 -8.191 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -0.880 6.910 -7.682 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -0.232 4.899 -9.472 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -1.416 6.925 -8.963 1.00 0.00 C ATOM 1299 CZ PHE A 88 -1.093 5.919 -9.856 1.00 0.00 C ATOM 0 H PHE A 88 3.290 4.858 -5.602 1.00 0.00 H new ATOM 0 HA PHE A 88 2.019 7.360 -6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.580 4.854 -5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.100 6.442 -5.233 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.967 4.094 -7.895 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.135 7.697 -6.987 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.023 4.115 -10.169 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.083 7.720 -9.261 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.510 5.927 -10.852 1.00 0.00 H new ATOM 1309 N LEU A 89 3.510 7.311 -4.150 1.00 0.00 N ATOM 1310 CA LEU A 89 3.940 7.720 -2.819 1.00 0.00 C ATOM 1311 C LEU A 89 2.972 8.736 -2.222 1.00 0.00 C ATOM 1312 O LEU A 89 2.922 8.921 -1.006 1.00 0.00 O ATOM 1313 CB LEU A 89 5.349 8.313 -2.877 1.00 0.00 C ATOM 1314 CG LEU A 89 5.730 9.197 -1.688 1.00 0.00 C ATOM 1315 CD1 LEU A 89 6.069 8.341 -0.477 1.00 0.00 C ATOM 1316 CD2 LEU A 89 6.897 10.102 -2.049 1.00 0.00 C ATOM 0 H LEU A 89 4.227 7.398 -4.870 1.00 0.00 H new ATOM 0 HA LEU A 89 3.950 6.837 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.068 7.496 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.442 8.900 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 89 4.876 9.825 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.338 8.985 0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.204 7.736 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.908 7.688 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.154 10.724 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.757 9.493 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.617 10.739 -2.888 1.00 0.00 H new ATOM 1328 N ASP A 90 2.199 9.390 -3.084 1.00 0.00 N ATOM 1329 CA ASP A 90 1.229 10.383 -2.638 1.00 0.00 C ATOM 1330 C ASP A 90 0.161 9.730 -1.768 1.00 0.00 C ATOM 1331 O ASP A 90 0.134 9.922 -0.553 1.00 0.00 O ATOM 1332 CB ASP A 90 0.577 11.070 -3.838 1.00 0.00 C ATOM 1333 CG ASP A 90 -0.936 10.983 -3.805 1.00 0.00 C ATOM 1334 OD1 ASP A 90 -1.536 11.446 -2.812 1.00 0.00 O ATOM 1335 OD2 ASP A 90 -1.522 10.452 -4.772 1.00 0.00 O ATOM 0 H ASP A 90 2.226 9.250 -4.094 1.00 0.00 H new ATOM 0 HA ASP A 90 1.754 11.133 -2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.877 12.118 -3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.944 10.614 -4.757 1.00 0.00 H new ATOM 1340 N THR A 91 -0.712 8.948 -2.396 1.00 0.00 N ATOM 1341 CA THR A 91 -1.774 8.259 -1.673 1.00 0.00 C ATOM 1342 C THR A 91 -1.197 7.104 -0.868 1.00 0.00 C ATOM 1343 O THR A 91 -1.792 6.655 0.112 1.00 0.00 O ATOM 1344 CB THR A 91 -2.840 7.744 -2.642 1.00 0.00 C ATOM 1345 OG1 THR A 91 -3.165 8.733 -3.603 1.00 0.00 O ATOM 1346 CG2 THR A 91 -4.123 7.332 -1.953 1.00 0.00 C ATOM 0 H THR A 91 -0.705 8.776 -3.401 1.00 0.00 H new ATOM 0 HA THR A 91 -2.242 8.968 -0.990 1.00 0.00 H new ATOM 0 HB THR A 91 -2.402 6.865 -3.115 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.543 8.672 -4.358 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.837 6.977 -2.696 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.913 6.534 -1.240 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.544 8.188 -1.426 1.00 0.00 H new ATOM 1354 N LEU A 92 -0.026 6.635 -1.282 1.00 0.00 N ATOM 1355 CA LEU A 92 0.644 5.545 -0.593 1.00 0.00 C ATOM 1356 C LEU A 92 1.155 6.021 0.758 1.00 0.00 C ATOM 1357 O LEU A 92 1.003 5.339 1.769 1.00 0.00 O ATOM 1358 CB LEU A 92 1.805 5.016 -1.436 1.00 0.00 C ATOM 1359 CG LEU A 92 2.626 3.906 -0.780 1.00 0.00 C ATOM 1360 CD1 LEU A 92 1.772 2.665 -0.570 1.00 0.00 C ATOM 1361 CD2 LEU A 92 3.850 3.582 -1.622 1.00 0.00 C ATOM 0 H LEU A 92 0.478 6.995 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.071 4.737 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.408 4.644 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.469 5.847 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 92 2.965 4.256 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.373 1.885 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.928 2.909 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.403 2.310 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.423 2.790 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.534 3.251 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.471 4.472 -1.718 1.00 0.00 H new ATOM 1373 N LYS A 93 1.756 7.206 0.761 1.00 0.00 N ATOM 1374 CA LYS A 93 2.289 7.792 1.980 1.00 0.00 C ATOM 1375 C LYS A 93 1.183 8.005 3.008 1.00 0.00 C ATOM 1376 O LYS A 93 1.353 7.695 4.186 1.00 0.00 O ATOM 1377 CB LYS A 93 2.975 9.120 1.662 1.00 0.00 C ATOM 1378 CG LYS A 93 3.362 9.918 2.893 1.00 0.00 C ATOM 1379 CD LYS A 93 4.174 11.146 2.518 1.00 0.00 C ATOM 1380 CE LYS A 93 3.464 11.980 1.464 1.00 0.00 C ATOM 1381 NZ LYS A 93 2.054 12.271 1.844 1.00 0.00 N ATOM 0 H LYS A 93 1.885 7.780 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 93 3.020 7.103 2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.870 8.924 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.310 9.723 1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.463 10.223 3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.940 9.289 3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.350 11.753 3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.150 10.838 2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.002 12.917 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.482 11.452 0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.804 13.234 1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.422 11.587 1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.950 12.196 2.876 1.00 0.00 H new ATOM 1395 N VAL A 94 0.049 8.535 2.558 1.00 0.00 N ATOM 1396 CA VAL A 94 -1.074 8.780 3.459 1.00 0.00 C ATOM 1397 C VAL A 94 -1.428 7.513 4.229 1.00 0.00 C ATOM 1398 O VAL A 94 -1.488 7.518 5.459 1.00 0.00 O ATOM 1399 CB VAL A 94 -2.341 9.290 2.729 1.00 0.00 C ATOM 1400 CG1 VAL A 94 -2.856 10.554 3.398 1.00 0.00 C ATOM 1401 CG2 VAL A 94 -2.081 9.546 1.255 1.00 0.00 C ATOM 0 H VAL A 94 -0.116 8.800 1.587 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.745 9.564 4.141 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.098 8.509 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.747 10.904 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.104 10.340 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.087 11.325 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.995 9.902 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.300 10.299 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.761 8.621 0.776 1.00 0.00 H new ATOM 1411 N LEU A 95 -1.652 6.425 3.499 1.00 0.00 N ATOM 1412 CA LEU A 95 -1.991 5.148 4.115 1.00 0.00 C ATOM 1413 C LEU A 95 -0.766 4.523 4.779 1.00 0.00 C ATOM 1414 O LEU A 95 -0.851 3.993 5.887 1.00 0.00 O ATOM 1415 CB LEU A 95 -2.566 4.188 3.070 1.00 0.00 C ATOM 1416 CG LEU A 95 -1.737 4.050 1.792 1.00 0.00 C ATOM 1417 CD1 LEU A 95 -0.931 2.761 1.815 1.00 0.00 C ATOM 1418 CD2 LEU A 95 -2.635 4.099 0.566 1.00 0.00 C ATOM 0 H LEU A 95 -1.605 6.403 2.480 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.744 5.331 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.673 3.203 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.567 4.525 2.801 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.041 4.888 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.348 2.680 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.259 2.767 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.608 1.910 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.028 3.999 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.356 3.282 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.166 5.051 0.542 1.00 0.00 H new ATOM 1430 N VAL A 96 0.373 4.591 4.094 1.00 0.00 N ATOM 1431 CA VAL A 96 1.615 4.034 4.618 1.00 0.00 C ATOM 1432 C VAL A 96 2.044 4.758 5.892 1.00 0.00 C ATOM 1433 O VAL A 96 2.296 4.129 6.919 1.00 0.00 O ATOM 1434 CB VAL A 96 2.746 4.097 3.564 1.00 0.00 C ATOM 1435 CG1 VAL A 96 4.122 4.090 4.219 1.00 0.00 C ATOM 1436 CG2 VAL A 96 2.620 2.938 2.590 1.00 0.00 C ATOM 0 H VAL A 96 0.460 5.026 3.176 1.00 0.00 H new ATOM 0 HA VAL A 96 1.428 2.987 4.858 1.00 0.00 H new ATOM 0 HB VAL A 96 2.643 5.035 3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.892 4.135 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.216 4.954 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.244 3.176 4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.421 2.993 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.691 1.996 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.657 2.992 2.083 1.00 0.00 H new ATOM 1446 N GLU A 97 2.121 6.081 5.820 1.00 0.00 N ATOM 1447 CA GLU A 97 2.515 6.883 6.971 1.00 0.00 C ATOM 1448 C GLU A 97 1.611 6.588 8.163 1.00 0.00 C ATOM 1449 O GLU A 97 2.028 6.700 9.316 1.00 0.00 O ATOM 1450 CB GLU A 97 2.458 8.373 6.629 1.00 0.00 C ATOM 1451 CG GLU A 97 1.045 8.927 6.557 1.00 0.00 C ATOM 1452 CD GLU A 97 0.415 8.740 5.190 1.00 0.00 C ATOM 1453 OE1 GLU A 97 0.811 9.461 4.250 1.00 0.00 O ATOM 1454 OE2 GLU A 97 -0.473 7.872 5.060 1.00 0.00 O ATOM 0 H GLU A 97 1.916 6.620 4.979 1.00 0.00 H new ATOM 0 HA GLU A 97 3.540 6.621 7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.020 8.931 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.953 8.537 5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.427 8.435 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.062 9.989 6.803 1.00 0.00 H new ATOM 1461 N HIS A 98 0.370 6.209 7.875 1.00 0.00 N ATOM 1462 CA HIS A 98 -0.597 5.896 8.920 1.00 0.00 C ATOM 1463 C HIS A 98 -0.272 4.561 9.582 1.00 0.00 C ATOM 1464 O HIS A 98 -0.100 4.487 10.799 1.00 0.00 O ATOM 1465 CB HIS A 98 -2.011 5.861 8.341 1.00 0.00 C ATOM 1466 CG HIS A 98 -3.083 5.854 9.386 1.00 0.00 C ATOM 1467 ND1 HIS A 98 -3.981 6.887 9.496 1.00 0.00 N ATOM 1468 CD2 HIS A 98 -3.355 4.928 10.337 1.00 0.00 C ATOM 1469 CE1 HIS A 98 -4.774 6.570 10.503 1.00 0.00 C ATOM 1470 NE2 HIS A 98 -4.434 5.391 11.045 1.00 0.00 N ATOM 0 H HIS A 98 0.010 6.111 6.925 1.00 0.00 H new ATOM 0 HA HIS A 98 -0.541 6.678 9.677 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -2.152 6.726 7.693 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -2.118 4.974 7.716 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.824 4.003 10.505 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -5.594 7.183 10.847 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.890 4.928 11.832 1.00 0.00 H new ATOM 1478 N GLY A 99 -0.188 3.507 8.775 1.00 0.00 N ATOM 1479 CA GLY A 99 0.116 2.192 9.308 1.00 0.00 C ATOM 1480 C GLY A 99 -0.078 1.085 8.289 1.00 0.00 C ATOM 1481 O GLY A 99 -0.471 -0.027 8.642 1.00 0.00 O ATOM 0 H GLY A 99 -0.325 3.540 7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.147 2.178 9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.520 1.999 10.172 1.00 0.00 H new ATOM 1485 N ALA A 100 0.200 1.386 7.024 1.00 0.00 N ATOM 1486 CA ALA A 100 0.056 0.401 5.959 1.00 0.00 C ATOM 1487 C ALA A 100 1.113 -0.692 6.083 1.00 0.00 C ATOM 1488 O ALA A 100 2.312 -0.416 6.045 1.00 0.00 O ATOM 1489 CB ALA A 100 0.147 1.075 4.598 1.00 0.00 C ATOM 0 H ALA A 100 0.525 2.301 6.713 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.926 -0.063 6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.038 0.326 3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.647 1.816 4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.115 1.566 4.499 1.00 0.00 H new ATOM 1495 N ASP A 101 0.659 -1.930 6.235 1.00 0.00 N ATOM 1496 CA ASP A 101 1.564 -3.067 6.369 1.00 0.00 C ATOM 1497 C ASP A 101 2.804 -2.881 5.502 1.00 0.00 C ATOM 1498 O ASP A 101 2.812 -3.253 4.329 1.00 0.00 O ATOM 1499 CB ASP A 101 0.848 -4.362 5.983 1.00 0.00 C ATOM 1500 CG ASP A 101 -0.085 -4.176 4.802 1.00 0.00 C ATOM 1501 OD1 ASP A 101 -0.311 -3.015 4.401 1.00 0.00 O ATOM 1502 OD2 ASP A 101 -0.589 -5.191 4.280 1.00 0.00 O ATOM 0 H ASP A 101 -0.331 -2.173 6.269 1.00 0.00 H new ATOM 0 HA ASP A 101 1.878 -3.129 7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.588 -5.125 5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.279 -4.728 6.838 1.00 0.00 H new ATOM 1507 N VAL A 102 3.850 -2.307 6.086 1.00 0.00 N ATOM 1508 CA VAL A 102 5.097 -2.074 5.365 1.00 0.00 C ATOM 1509 C VAL A 102 6.187 -3.037 5.826 1.00 0.00 C ATOM 1510 O VAL A 102 7.366 -2.838 5.534 1.00 0.00 O ATOM 1511 CB VAL A 102 5.595 -0.629 5.554 1.00 0.00 C ATOM 1512 CG1 VAL A 102 5.046 0.273 4.459 1.00 0.00 C ATOM 1513 CG2 VAL A 102 5.210 -0.108 6.930 1.00 0.00 C ATOM 0 H VAL A 102 3.860 -1.994 7.057 1.00 0.00 H new ATOM 0 HA VAL A 102 4.887 -2.243 4.309 1.00 0.00 H new ATOM 0 HB VAL A 102 6.683 -0.626 5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.409 1.290 4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.379 -0.091 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.957 0.267 4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.570 0.914 7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.125 -0.125 7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.658 -0.740 7.697 1.00 0.00 H new ATOM 1523 N ASN A 103 5.785 -4.077 6.545 1.00 0.00 N ATOM 1524 CA ASN A 103 6.729 -5.069 7.045 1.00 0.00 C ATOM 1525 C ASN A 103 6.118 -6.465 7.009 1.00 0.00 C ATOM 1526 O ASN A 103 6.331 -7.271 7.915 1.00 0.00 O ATOM 1527 CB ASN A 103 7.157 -4.721 8.471 1.00 0.00 C ATOM 1528 CG ASN A 103 7.943 -3.427 8.540 1.00 0.00 C ATOM 1529 OD1 ASN A 103 9.171 -3.437 8.641 1.00 0.00 O ATOM 1530 ND2 ASN A 103 7.239 -2.302 8.486 1.00 0.00 N ATOM 0 H ASN A 103 4.812 -4.256 6.795 1.00 0.00 H new ATOM 0 HA ASN A 103 7.607 -5.060 6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 103 6.273 -4.640 9.103 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.763 -5.533 8.874 1.00 0.00 H new ATOM 0 HD21 ASN A 103 7.714 -1.400 8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 103 6.223 -2.340 8.402 1.00 0.00 H new ATOM 1537 N ALA A 104 5.355 -6.745 5.956 1.00 0.00 N ATOM 1538 CA ALA A 104 4.712 -8.043 5.804 1.00 0.00 C ATOM 1539 C ALA A 104 4.954 -8.616 4.412 1.00 0.00 C ATOM 1540 O ALA A 104 4.616 -7.993 3.405 1.00 0.00 O ATOM 1541 CB ALA A 104 3.220 -7.926 6.075 1.00 0.00 C ATOM 0 H ALA A 104 5.168 -6.090 5.197 1.00 0.00 H new ATOM 0 HA ALA A 104 5.151 -8.726 6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.751 -8.903 5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.062 -7.567 7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.776 -7.224 5.369 1.00 0.00 H new ATOM 1547 N LEU A 105 5.542 -9.807 4.362 1.00 0.00 N ATOM 1548 CA LEU A 105 5.829 -10.465 3.093 1.00 0.00 C ATOM 1549 C LEU A 105 5.095 -11.799 3.001 1.00 0.00 C ATOM 1550 O LEU A 105 4.914 -12.489 4.005 1.00 0.00 O ATOM 1551 CB LEU A 105 7.337 -10.686 2.926 1.00 0.00 C ATOM 1552 CG LEU A 105 8.235 -9.785 3.781 1.00 0.00 C ATOM 1553 CD1 LEU A 105 9.272 -10.616 4.520 1.00 0.00 C ATOM 1554 CD2 LEU A 105 8.911 -8.735 2.914 1.00 0.00 C ATOM 0 H LEU A 105 5.829 -10.336 5.186 1.00 0.00 H new ATOM 0 HA LEU A 105 5.479 -9.816 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.563 -11.725 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.595 -10.536 1.878 1.00 0.00 H new ATOM 0 HG LEU A 105 7.614 -9.276 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.901 -9.961 5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.769 -11.333 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 105 9.890 -11.151 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.545 -8.103 3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.521 -9.227 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.153 -8.121 2.428 1.00 0.00 H new ATOM 1566 N ASP A 106 4.676 -12.158 1.792 1.00 0.00 N ATOM 1567 CA ASP A 106 3.965 -13.408 1.573 1.00 0.00 C ATOM 1568 C ASP A 106 4.128 -13.881 0.133 1.00 0.00 C ATOM 1569 O ASP A 106 4.117 -13.078 -0.801 1.00 0.00 O ATOM 1570 CB ASP A 106 2.481 -13.243 1.907 1.00 0.00 C ATOM 1571 CG ASP A 106 1.715 -12.545 0.801 1.00 0.00 C ATOM 1572 OD1 ASP A 106 2.172 -12.594 -0.361 1.00 0.00 O ATOM 1573 OD2 ASP A 106 0.656 -11.949 1.096 1.00 0.00 O ATOM 0 H ASP A 106 4.818 -11.600 0.950 1.00 0.00 H new ATOM 0 HA ASP A 106 4.394 -14.161 2.233 1.00 0.00 H new ATOM 0 HB2 ASP A 106 2.041 -14.224 2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 106 2.380 -12.673 2.831 1.00 0.00 H new ATOM 1578 N SER A 107 4.282 -15.190 -0.040 1.00 0.00 N ATOM 1579 CA SER A 107 4.449 -15.771 -1.367 1.00 0.00 C ATOM 1580 C SER A 107 5.524 -15.024 -2.151 1.00 0.00 C ATOM 1581 O SER A 107 5.504 -14.999 -3.382 1.00 0.00 O ATOM 1582 CB SER A 107 3.125 -15.739 -2.133 1.00 0.00 C ATOM 1583 OG SER A 107 2.139 -16.521 -1.482 1.00 0.00 O ATOM 0 H SER A 107 4.295 -15.868 0.722 1.00 0.00 H new ATOM 0 HA SER A 107 4.763 -16.808 -1.248 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.777 -14.710 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.278 -16.111 -3.146 1.00 0.00 H new ATOM 0 HG SER A 107 1.302 -16.482 -1.991 1.00 0.00 H new ATOM 1589 N THR A 108 6.460 -14.418 -1.429 1.00 0.00 N ATOM 1590 CA THR A 108 7.545 -13.670 -2.053 1.00 0.00 C ATOM 1591 C THR A 108 8.676 -13.419 -1.060 1.00 0.00 C ATOM 1592 O THR A 108 9.852 -13.524 -1.404 1.00 0.00 O ATOM 1593 CB THR A 108 7.026 -12.340 -2.601 1.00 0.00 C ATOM 1594 OG1 THR A 108 5.861 -11.933 -1.906 1.00 0.00 O ATOM 1595 CG2 THR A 108 6.687 -12.389 -4.075 1.00 0.00 C ATOM 0 H THR A 108 6.489 -14.430 -0.409 1.00 0.00 H new ATOM 0 HA THR A 108 7.937 -14.266 -2.877 1.00 0.00 H new ATOM 0 HB THR A 108 7.841 -11.631 -2.457 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.142 -12.580 -2.066 1.00 0.00 H new ATOM 0 HG21 THR A 108 6.325 -11.413 -4.398 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.578 -12.652 -4.645 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.913 -13.137 -4.246 1.00 0.00 H new ATOM 1603 N GLY A 109 8.309 -13.089 0.174 1.00 0.00 N ATOM 1604 CA GLY A 109 9.304 -12.829 1.199 1.00 0.00 C ATOM 1605 C GLY A 109 10.086 -11.556 0.938 1.00 0.00 C ATOM 1606 O GLY A 109 11.094 -11.294 1.594 1.00 0.00 O ATOM 0 H GLY A 109 7.341 -12.997 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.812 -12.757 2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.994 -13.671 1.253 1.00 0.00 H new ATOM 1610 N SER A 110 9.622 -10.766 -0.023 1.00 0.00 N ATOM 1611 CA SER A 110 10.285 -9.515 -0.370 1.00 0.00 C ATOM 1612 C SER A 110 9.517 -8.319 0.183 1.00 0.00 C ATOM 1613 O SER A 110 8.307 -8.200 -0.013 1.00 0.00 O ATOM 1614 CB SER A 110 10.419 -9.389 -1.888 1.00 0.00 C ATOM 1615 OG SER A 110 11.491 -8.530 -2.236 1.00 0.00 O ATOM 0 H SER A 110 8.789 -10.970 -0.576 1.00 0.00 H new ATOM 0 HA SER A 110 11.279 -9.525 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 110 10.582 -10.374 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.490 -9.004 -2.308 1.00 0.00 H new ATOM 0 HG SER A 110 11.950 -8.233 -1.422 1.00 0.00 H new ATOM 1621 N LEU A 111 10.228 -7.435 0.875 1.00 0.00 N ATOM 1622 CA LEU A 111 9.614 -6.246 1.455 1.00 0.00 C ATOM 1623 C LEU A 111 9.112 -5.307 0.364 1.00 0.00 C ATOM 1624 O LEU A 111 9.697 -5.223 -0.715 1.00 0.00 O ATOM 1625 CB LEU A 111 10.615 -5.515 2.351 1.00 0.00 C ATOM 1626 CG LEU A 111 10.850 -6.157 3.720 1.00 0.00 C ATOM 1627 CD1 LEU A 111 12.141 -5.638 4.336 1.00 0.00 C ATOM 1628 CD2 LEU A 111 9.671 -5.889 4.644 1.00 0.00 C ATOM 0 H LEU A 111 11.230 -7.519 1.048 1.00 0.00 H new ATOM 0 HA LEU A 111 8.763 -6.564 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.569 -5.452 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.266 -4.493 2.501 1.00 0.00 H new ATOM 0 HG LEU A 111 10.942 -7.235 3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.293 -6.105 5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.979 -5.880 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.077 -4.557 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 111 9.855 -6.353 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 111 9.548 -4.814 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.764 -6.308 4.208 1.00 0.00 H new ATOM 1640 N PRO A 112 8.015 -4.586 0.638 1.00 0.00 N ATOM 1641 CA PRO A 112 7.427 -3.646 -0.319 1.00 0.00 C ATOM 1642 C PRO A 112 8.462 -2.683 -0.891 1.00 0.00 C ATOM 1643 O PRO A 112 8.334 -2.222 -2.026 1.00 0.00 O ATOM 1644 CB PRO A 112 6.393 -2.891 0.517 1.00 0.00 C ATOM 1645 CG PRO A 112 6.022 -3.841 1.603 1.00 0.00 C ATOM 1646 CD PRO A 112 7.264 -4.635 1.905 1.00 0.00 C ATOM 0 HA PRO A 112 7.003 -4.154 -1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 112 6.808 -1.968 0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 112 5.525 -2.614 -0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 112 5.677 -3.306 2.488 1.00 0.00 H new ATOM 0 HG3 PRO A 112 5.209 -4.495 1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.832 -4.197 2.726 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.027 -5.659 2.192 1.00 0.00 H new ATOM 1654 N ILE A 113 9.489 -2.386 -0.102 1.00 0.00 N ATOM 1655 CA ILE A 113 10.547 -1.481 -0.534 1.00 0.00 C ATOM 1656 C ILE A 113 11.396 -2.121 -1.625 1.00 0.00 C ATOM 1657 O ILE A 113 11.817 -1.455 -2.572 1.00 0.00 O ATOM 1658 CB ILE A 113 11.463 -1.081 0.639 1.00 0.00 C ATOM 1659 CG1 ILE A 113 12.678 -0.307 0.125 1.00 0.00 C ATOM 1660 CG2 ILE A 113 11.902 -2.316 1.412 1.00 0.00 C ATOM 1661 CD1 ILE A 113 13.696 0.003 1.201 1.00 0.00 C ATOM 0 H ILE A 113 9.611 -2.759 0.840 1.00 0.00 H new ATOM 0 HA ILE A 113 10.060 -0.587 -0.924 1.00 0.00 H new ATOM 0 HB ILE A 113 10.903 -0.434 1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 113 13.160 -0.885 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 113 12.340 0.627 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 113 12.548 -2.018 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.025 -2.830 1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.448 -2.986 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 113 14.530 0.553 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 113 13.230 0.607 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 113 14.062 -0.928 1.635 1.00 0.00 H new ATOM 1673 N HIS A 114 11.644 -3.419 -1.487 1.00 0.00 N ATOM 1674 CA HIS A 114 12.441 -4.155 -2.458 1.00 0.00 C ATOM 1675 C HIS A 114 11.893 -3.961 -3.867 1.00 0.00 C ATOM 1676 O HIS A 114 12.653 -3.830 -4.828 1.00 0.00 O ATOM 1677 CB HIS A 114 12.466 -5.642 -2.105 1.00 0.00 C ATOM 1678 CG HIS A 114 13.284 -5.952 -0.891 1.00 0.00 C ATOM 1679 ND1 HIS A 114 12.713 -6.465 0.247 1.00 0.00 N ATOM 1680 CD2 HIS A 114 14.616 -5.800 -0.689 1.00 0.00 C ATOM 1681 CE1 HIS A 114 13.699 -6.614 1.112 1.00 0.00 C ATOM 1682 NE2 HIS A 114 14.872 -6.223 0.591 1.00 0.00 N ATOM 0 H HIS A 114 11.303 -3.983 -0.709 1.00 0.00 H new ATOM 0 HA HIS A 114 13.459 -3.766 -2.428 1.00 0.00 H new ATOM 0 HB2 HIS A 114 11.445 -5.986 -1.943 1.00 0.00 H new ATOM 0 HB3 HIS A 114 12.861 -6.202 -2.953 1.00 0.00 H new ATOM 0 HD2 HIS A 114 15.336 -5.420 -1.398 1.00 0.00 H new ATOM 0 HE1 HIS A 114 13.577 -7.002 2.113 1.00 0.00 H new ATOM 0 HE2 HIS A 114 15.779 -6.237 1.057 1.00 0.00 H new ATOM 1690 N LEU A 115 10.570 -3.938 -3.984 1.00 0.00 N ATOM 1691 CA LEU A 115 9.920 -3.755 -5.275 1.00 0.00 C ATOM 1692 C LEU A 115 10.207 -2.365 -5.828 1.00 0.00 C ATOM 1693 O LEU A 115 10.752 -2.222 -6.922 1.00 0.00 O ATOM 1694 CB LEU A 115 8.411 -3.970 -5.147 1.00 0.00 C ATOM 1695 CG LEU A 115 7.996 -5.010 -4.105 1.00 0.00 C ATOM 1696 CD1 LEU A 115 6.510 -5.318 -4.220 1.00 0.00 C ATOM 1697 CD2 LEU A 115 8.820 -6.279 -4.260 1.00 0.00 C ATOM 0 H LEU A 115 9.927 -4.044 -3.199 1.00 0.00 H new ATOM 0 HA LEU A 115 10.322 -4.494 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.943 -3.018 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 115 8.018 -4.272 -6.118 1.00 0.00 H new ATOM 0 HG LEU A 115 8.185 -4.598 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.233 -6.060 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 115 5.936 -4.406 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.295 -5.709 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.511 -7.007 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.664 -6.695 -5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.876 -6.046 -4.125 1.00 0.00 H new ATOM 1709 N ALA A 116 9.847 -1.341 -5.061 1.00 0.00 N ATOM 1710 CA ALA A 116 10.081 0.034 -5.477 1.00 0.00 C ATOM 1711 C ALA A 116 11.544 0.234 -5.853 1.00 0.00 C ATOM 1712 O ALA A 116 11.874 1.073 -6.692 1.00 0.00 O ATOM 1713 CB ALA A 116 9.677 1.000 -4.374 1.00 0.00 C ATOM 0 H ALA A 116 9.394 -1.438 -4.152 1.00 0.00 H new ATOM 0 HA ALA A 116 9.468 0.239 -6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 116 9.859 2.023 -4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.618 0.874 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 116 10.264 0.796 -3.479 1.00 0.00 H new ATOM 1719 N ILE A 117 12.417 -0.553 -5.230 1.00 0.00 N ATOM 1720 CA ILE A 117 13.847 -0.474 -5.497 1.00 0.00 C ATOM 1721 C ILE A 117 14.156 -0.896 -6.929 1.00 0.00 C ATOM 1722 O ILE A 117 14.999 -0.295 -7.595 1.00 0.00 O ATOM 1723 CB ILE A 117 14.651 -1.357 -4.525 1.00 0.00 C ATOM 1724 CG1 ILE A 117 14.581 -0.788 -3.107 1.00 0.00 C ATOM 1725 CG2 ILE A 117 16.096 -1.473 -4.984 1.00 0.00 C ATOM 1726 CD1 ILE A 117 15.614 0.283 -2.834 1.00 0.00 C ATOM 0 H ILE A 117 12.157 -1.253 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 117 14.142 0.565 -5.354 1.00 0.00 H new ATOM 0 HB ILE A 117 14.212 -2.355 -4.518 1.00 0.00 H new ATOM 0 HG12 ILE A 117 13.587 -0.374 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 117 14.713 -1.600 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 117 16.650 -2.100 -4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 117 16.127 -1.920 -5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 117 16.548 -0.482 -5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 117 15.505 0.641 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 117 16.613 -0.132 -2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 117 15.469 1.113 -3.525 1.00 0.00 H new ATOM 1738 N ARG A 118 13.465 -1.930 -7.397 1.00 0.00 N ATOM 1739 CA ARG A 118 13.664 -2.426 -8.753 1.00 0.00 C ATOM 1740 C ARG A 118 13.093 -1.445 -9.770 1.00 0.00 C ATOM 1741 O ARG A 118 13.434 -1.489 -10.952 1.00 0.00 O ATOM 1742 CB ARG A 118 13.006 -3.796 -8.925 1.00 0.00 C ATOM 1743 CG ARG A 118 12.832 -4.558 -7.622 1.00 0.00 C ATOM 1744 CD ARG A 118 13.178 -6.029 -7.786 1.00 0.00 C ATOM 1745 NE ARG A 118 12.211 -6.897 -7.121 1.00 0.00 N ATOM 1746 CZ ARG A 118 10.916 -6.922 -7.421 1.00 0.00 C ATOM 1747 NH1 ARG A 118 10.438 -6.130 -8.372 1.00 0.00 N ATOM 1748 NH2 ARG A 118 10.099 -7.738 -6.771 1.00 0.00 N ATOM 0 H ARG A 118 12.764 -2.439 -6.859 1.00 0.00 H new ATOM 0 HA ARG A 118 14.736 -2.527 -8.924 1.00 0.00 H new ATOM 0 HB2 ARG A 118 12.030 -3.664 -9.392 1.00 0.00 H new ATOM 0 HB3 ARG A 118 13.608 -4.395 -9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.468 -4.117 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 118 11.802 -4.462 -7.278 1.00 0.00 H new ATOM 0 HD2 ARG A 118 13.217 -6.276 -8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 118 14.172 -6.215 -7.379 1.00 0.00 H new ATOM 0 HE ARG A 118 12.547 -7.519 -6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 118 11.064 -5.501 -8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 118 9.444 -6.150 -8.601 1.00 0.00 H new ATOM 0 HH21 ARG A 118 10.463 -8.348 -6.039 1.00 0.00 H new ATOM 0 HH22 ARG A 118 9.106 -7.756 -7.002 1.00 0.00 H new ATOM 1762 N GLU A 119 12.221 -0.561 -9.299 1.00 0.00 N ATOM 1763 CA GLU A 119 11.598 0.432 -10.163 1.00 0.00 C ATOM 1764 C GLU A 119 12.419 1.717 -10.197 1.00 0.00 C ATOM 1765 O GLU A 119 12.796 2.194 -11.267 1.00 0.00 O ATOM 1766 CB GLU A 119 10.178 0.735 -9.683 1.00 0.00 C ATOM 1767 CG GLU A 119 9.365 -0.512 -9.370 1.00 0.00 C ATOM 1768 CD GLU A 119 9.130 -1.377 -10.593 1.00 0.00 C ATOM 1769 OE1 GLU A 119 10.072 -2.081 -11.012 1.00 0.00 O ATOM 1770 OE2 GLU A 119 8.003 -1.351 -11.131 1.00 0.00 O ATOM 0 H GLU A 119 11.930 -0.512 -8.323 1.00 0.00 H new ATOM 0 HA GLU A 119 11.555 0.023 -11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.230 1.359 -8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.660 1.314 -10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.882 -1.097 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 119 8.404 -0.218 -8.947 1.00 0.00 H new ATOM 1777 N GLY A 120 12.688 2.277 -9.021 1.00 0.00 N ATOM 1778 CA GLY A 120 13.456 3.503 -8.949 1.00 0.00 C ATOM 1779 C GLY A 120 12.578 4.731 -9.074 1.00 0.00 C ATOM 1780 O GLY A 120 12.893 5.659 -9.817 1.00 0.00 O ATOM 0 H GLY A 120 12.388 1.904 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 120 13.995 3.538 -8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 120 14.204 3.510 -9.742 1.00 0.00 H new ATOM 1784 N HIS A 121 11.468 4.728 -8.345 1.00 0.00 N ATOM 1785 CA HIS A 121 10.528 5.840 -8.371 1.00 0.00 C ATOM 1786 C HIS A 121 11.044 7.020 -7.546 1.00 0.00 C ATOM 1787 O HIS A 121 10.359 8.033 -7.401 1.00 0.00 O ATOM 1788 CB HIS A 121 9.165 5.383 -7.852 1.00 0.00 C ATOM 1789 CG HIS A 121 8.519 4.335 -8.703 1.00 0.00 C ATOM 1790 ND1 HIS A 121 7.956 4.645 -9.917 1.00 0.00 N ATOM 1791 CD2 HIS A 121 8.374 3.007 -8.473 1.00 0.00 C ATOM 1792 CE1 HIS A 121 7.482 3.509 -10.397 1.00 0.00 C ATOM 1793 NE2 HIS A 121 7.712 2.488 -9.556 1.00 0.00 N ATOM 0 H HIS A 121 11.197 3.964 -7.726 1.00 0.00 H new ATOM 0 HA HIS A 121 10.423 6.175 -9.403 1.00 0.00 H new ATOM 0 HB2 HIS A 121 9.283 4.995 -6.840 1.00 0.00 H new ATOM 0 HB3 HIS A 121 8.502 6.246 -7.788 1.00 0.00 H new ATOM 0 HD1 HIS A 121 7.913 5.564 -10.358 1.00 0.00 H new ATOM 0 HD2 HIS A 121 8.714 2.463 -7.604 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.974 3.414 -11.345 1.00 0.00 H new ATOM 1801 N SER A 122 12.261 6.886 -7.018 1.00 0.00 N ATOM 1802 CA SER A 122 12.881 7.940 -6.219 1.00 0.00 C ATOM 1803 C SER A 122 12.209 8.087 -4.855 1.00 0.00 C ATOM 1804 O SER A 122 12.579 7.409 -3.896 1.00 0.00 O ATOM 1805 CB SER A 122 12.838 9.274 -6.972 1.00 0.00 C ATOM 1806 OG SER A 122 13.370 10.323 -6.182 1.00 0.00 O ATOM 0 H SER A 122 12.838 6.053 -7.131 1.00 0.00 H new ATOM 0 HA SER A 122 13.919 7.655 -6.050 1.00 0.00 H new ATOM 0 HB2 SER A 122 13.404 9.190 -7.900 1.00 0.00 H new ATOM 0 HB3 SER A 122 11.809 9.507 -7.247 1.00 0.00 H new ATOM 0 HG SER A 122 13.333 11.163 -6.686 1.00 0.00 H new ATOM 1812 N SER A 123 11.230 8.982 -4.771 1.00 0.00 N ATOM 1813 CA SER A 123 10.518 9.227 -3.522 1.00 0.00 C ATOM 1814 C SER A 123 9.981 7.930 -2.925 1.00 0.00 C ATOM 1815 O SER A 123 10.282 7.593 -1.782 1.00 0.00 O ATOM 1816 CB SER A 123 9.368 10.208 -3.756 1.00 0.00 C ATOM 1817 OG SER A 123 9.253 11.125 -2.683 1.00 0.00 O ATOM 0 H SER A 123 10.911 9.551 -5.555 1.00 0.00 H new ATOM 0 HA SER A 123 11.224 9.659 -2.813 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.533 10.751 -4.686 1.00 0.00 H new ATOM 0 HB3 SER A 123 8.434 9.658 -3.870 1.00 0.00 H new ATOM 0 HG SER A 123 8.648 11.853 -2.938 1.00 0.00 H new ATOM 1823 N VAL A 124 9.182 7.211 -3.703 1.00 0.00 N ATOM 1824 CA VAL A 124 8.602 5.951 -3.241 1.00 0.00 C ATOM 1825 C VAL A 124 9.681 5.020 -2.702 1.00 0.00 C ATOM 1826 O VAL A 124 9.671 4.661 -1.524 1.00 0.00 O ATOM 1827 CB VAL A 124 7.818 5.209 -4.352 1.00 0.00 C ATOM 1828 CG1 VAL A 124 6.493 4.709 -3.810 1.00 0.00 C ATOM 1829 CG2 VAL A 124 7.588 6.092 -5.568 1.00 0.00 C ATOM 0 H VAL A 124 8.920 7.475 -4.653 1.00 0.00 H new ATOM 0 HA VAL A 124 7.903 6.217 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 124 8.422 4.360 -4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.950 4.189 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.674 4.024 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.901 5.554 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 124 7.035 5.534 -6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 124 7.015 6.972 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 124 8.549 6.404 -5.978 1.00 0.00 H new ATOM 1839 N VAL A 125 10.614 4.630 -3.565 1.00 0.00 N ATOM 1840 CA VAL A 125 11.698 3.743 -3.164 1.00 0.00 C ATOM 1841 C VAL A 125 12.415 4.276 -1.929 1.00 0.00 C ATOM 1842 O VAL A 125 12.725 3.525 -1.004 1.00 0.00 O ATOM 1843 CB VAL A 125 12.725 3.565 -4.296 1.00 0.00 C ATOM 1844 CG1 VAL A 125 13.627 2.375 -4.017 1.00 0.00 C ATOM 1845 CG2 VAL A 125 12.022 3.410 -5.635 1.00 0.00 C ATOM 0 H VAL A 125 10.640 4.914 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 125 11.247 2.778 -2.934 1.00 0.00 H new ATOM 0 HB VAL A 125 13.347 4.459 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 125 14.346 2.265 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 125 14.159 2.534 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 125 13.023 1.470 -3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 125 12.764 3.285 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 125 11.373 2.535 -5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 125 11.424 4.299 -5.837 1.00 0.00 H new ATOM 1855 N SER A 126 12.682 5.577 -1.924 1.00 0.00 N ATOM 1856 CA SER A 126 13.368 6.216 -0.810 1.00 0.00 C ATOM 1857 C SER A 126 12.461 6.329 0.409 1.00 0.00 C ATOM 1858 O SER A 126 12.923 6.306 1.548 1.00 0.00 O ATOM 1859 CB SER A 126 13.861 7.603 -1.222 1.00 0.00 C ATOM 1860 OG SER A 126 14.299 8.344 -0.098 1.00 0.00 O ATOM 0 H SER A 126 12.432 6.211 -2.683 1.00 0.00 H new ATOM 0 HA SER A 126 14.221 5.594 -0.541 1.00 0.00 H new ATOM 0 HB2 SER A 126 14.678 7.504 -1.937 1.00 0.00 H new ATOM 0 HB3 SER A 126 13.059 8.142 -1.727 1.00 0.00 H new ATOM 0 HG SER A 126 14.611 9.226 -0.389 1.00 0.00 H new ATOM 1866 N PHE A 127 11.168 6.458 0.157 1.00 0.00 N ATOM 1867 CA PHE A 127 10.184 6.583 1.226 1.00 0.00 C ATOM 1868 C PHE A 127 9.963 5.246 1.927 1.00 0.00 C ATOM 1869 O PHE A 127 9.861 5.184 3.152 1.00 0.00 O ATOM 1870 CB PHE A 127 8.860 7.103 0.666 1.00 0.00 C ATOM 1871 CG PHE A 127 7.747 7.118 1.674 1.00 0.00 C ATOM 1872 CD1 PHE A 127 7.786 7.990 2.757 1.00 0.00 C ATOM 1873 CD2 PHE A 127 6.659 6.262 1.541 1.00 0.00 C ATOM 1874 CE1 PHE A 127 6.761 8.006 3.689 1.00 0.00 C ATOM 1875 CE2 PHE A 127 5.631 6.275 2.470 1.00 0.00 C ATOM 1876 CZ PHE A 127 5.681 7.148 3.545 1.00 0.00 C ATOM 0 H PHE A 127 10.772 6.479 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 127 10.568 7.294 1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 127 9.008 8.113 0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 127 8.564 6.483 -0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 127 8.624 8.662 2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 127 6.615 5.580 0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 127 6.803 8.686 4.527 1.00 0.00 H new ATOM 0 HE2 PHE A 127 4.791 5.605 2.356 1.00 0.00 H new ATOM 0 HZ PHE A 127 4.880 7.160 4.270 1.00 0.00 H new ATOM 1886 N LEU A 128 9.884 4.178 1.140 1.00 0.00 N ATOM 1887 CA LEU A 128 9.667 2.841 1.681 1.00 0.00 C ATOM 1888 C LEU A 128 10.864 2.375 2.508 1.00 0.00 C ATOM 1889 O LEU A 128 10.813 1.327 3.151 1.00 0.00 O ATOM 1890 CB LEU A 128 9.398 1.849 0.548 1.00 0.00 C ATOM 1891 CG LEU A 128 8.052 1.125 0.630 1.00 0.00 C ATOM 1892 CD1 LEU A 128 8.082 0.072 1.727 1.00 0.00 C ATOM 1893 CD2 LEU A 128 6.926 2.120 0.871 1.00 0.00 C ATOM 0 H LEU A 128 9.967 4.213 0.124 1.00 0.00 H new ATOM 0 HA LEU A 128 8.797 2.883 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 128 9.450 2.382 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 128 10.194 1.105 0.540 1.00 0.00 H new ATOM 0 HG LEU A 128 7.869 0.625 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 128 7.117 -0.434 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 128 8.864 -0.656 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 128 8.286 0.550 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 128 5.976 1.588 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 128 7.102 2.648 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 128 6.893 2.837 0.051 1.00 0.00 H new ATOM 1905 N ALA A 129 11.938 3.159 2.489 1.00 0.00 N ATOM 1906 CA ALA A 129 13.142 2.822 3.240 1.00 0.00 C ATOM 1907 C ALA A 129 12.871 2.820 4.741 1.00 0.00 C ATOM 1908 O ALA A 129 12.882 1.771 5.382 1.00 0.00 O ATOM 1909 CB ALA A 129 14.263 3.793 2.905 1.00 0.00 C ATOM 0 H ALA A 129 11.999 4.031 1.963 1.00 0.00 H new ATOM 0 HA ALA A 129 13.450 1.817 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 129 15.155 3.529 3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 129 14.483 3.741 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 129 13.956 4.807 3.163 1.00 0.00 H new ATOM 1915 N PRO A 130 12.624 4.006 5.319 1.00 0.00 N ATOM 1916 CA PRO A 130 12.348 4.146 6.753 1.00 0.00 C ATOM 1917 C PRO A 130 11.021 3.510 7.153 1.00 0.00 C ATOM 1918 O PRO A 130 10.897 2.932 8.233 1.00 0.00 O ATOM 1919 CB PRO A 130 12.300 5.661 6.963 1.00 0.00 C ATOM 1920 CG PRO A 130 11.958 6.221 5.625 1.00 0.00 C ATOM 1921 CD PRO A 130 12.593 5.302 4.619 1.00 0.00 C ATOM 0 HA PRO A 130 13.099 3.643 7.362 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.553 5.933 7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 130 13.258 6.042 7.318 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.878 6.267 5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 130 12.336 7.238 5.519 1.00 0.00 H new ATOM 0 HD2 PRO A 130 12.011 5.249 3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 130 13.594 5.635 4.345 1.00 0.00 H new ATOM 1929 N GLU A 131 10.028 3.621 6.275 1.00 0.00 N ATOM 1930 CA GLU A 131 8.710 3.057 6.538 1.00 0.00 C ATOM 1931 C GLU A 131 8.784 1.540 6.683 1.00 0.00 C ATOM 1932 O GLU A 131 7.910 0.922 7.292 1.00 0.00 O ATOM 1933 CB GLU A 131 7.739 3.427 5.415 1.00 0.00 C ATOM 1934 CG GLU A 131 7.692 4.916 5.117 1.00 0.00 C ATOM 1935 CD GLU A 131 7.002 5.708 6.210 1.00 0.00 C ATOM 1936 OE1 GLU A 131 5.760 5.831 6.159 1.00 0.00 O ATOM 1937 OE2 GLU A 131 7.704 6.205 7.116 1.00 0.00 O ATOM 0 H GLU A 131 10.112 4.096 5.376 1.00 0.00 H new ATOM 0 HA GLU A 131 8.346 3.476 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.024 2.893 4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 131 6.739 3.087 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 131 8.708 5.289 4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 131 7.172 5.078 4.173 1.00 0.00 H new ATOM 1944 N SER A 132 9.832 0.947 6.121 1.00 0.00 N ATOM 1945 CA SER A 132 10.020 -0.498 6.189 1.00 0.00 C ATOM 1946 C SER A 132 11.237 -0.849 7.040 1.00 0.00 C ATOM 1947 O SER A 132 12.216 -0.103 7.076 1.00 0.00 O ATOM 1948 CB SER A 132 10.180 -1.079 4.784 1.00 0.00 C ATOM 1949 OG SER A 132 8.958 -1.026 4.068 1.00 0.00 O ATOM 0 H SER A 132 10.564 1.444 5.614 1.00 0.00 H new ATOM 0 HA SER A 132 9.136 -0.933 6.655 1.00 0.00 H new ATOM 0 HB2 SER A 132 10.947 -0.524 4.243 1.00 0.00 H new ATOM 0 HB3 SER A 132 10.521 -2.112 4.851 1.00 0.00 H new ATOM 0 HG SER A 132 8.307 -1.627 4.487 1.00 0.00 H new ATOM 1955 N ASP A 133 11.168 -1.987 7.724 1.00 0.00 N ATOM 1956 CA ASP A 133 12.263 -2.437 8.576 1.00 0.00 C ATOM 1957 C ASP A 133 13.613 -2.064 7.972 1.00 0.00 C ATOM 1958 O ASP A 133 14.013 -2.604 6.940 1.00 0.00 O ATOM 1959 CB ASP A 133 12.186 -3.951 8.785 1.00 0.00 C ATOM 1960 CG ASP A 133 11.666 -4.319 10.161 1.00 0.00 C ATOM 1961 OD1 ASP A 133 10.855 -3.549 10.715 1.00 0.00 O ATOM 1962 OD2 ASP A 133 12.069 -5.379 10.683 1.00 0.00 O ATOM 0 H ASP A 133 10.364 -2.615 7.705 1.00 0.00 H new ATOM 0 HA ASP A 133 12.167 -1.938 9.540 1.00 0.00 H new ATOM 0 HB2 ASP A 133 11.537 -4.387 8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 133 13.176 -4.385 8.646 1.00 0.00 H new ATOM 1967 N LEU A 134 14.307 -1.134 8.619 1.00 0.00 N ATOM 1968 CA LEU A 134 15.608 -0.685 8.146 1.00 0.00 C ATOM 1969 C LEU A 134 16.704 -1.677 8.528 1.00 0.00 C ATOM 1970 O LEU A 134 17.604 -1.354 9.302 1.00 0.00 O ATOM 1971 CB LEU A 134 15.927 0.695 8.723 1.00 0.00 C ATOM 1972 CG LEU A 134 15.624 1.874 7.795 1.00 0.00 C ATOM 1973 CD1 LEU A 134 16.304 3.136 8.301 1.00 0.00 C ATOM 1974 CD2 LEU A 134 16.062 1.562 6.372 1.00 0.00 C ATOM 0 H LEU A 134 13.988 -0.677 9.473 1.00 0.00 H new ATOM 0 HA LEU A 134 15.571 -0.621 7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 134 15.362 0.825 9.646 1.00 0.00 H new ATOM 0 HB3 LEU A 134 16.984 0.725 8.989 1.00 0.00 H new ATOM 0 HG LEU A 134 14.547 2.042 7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 134 16.079 3.965 7.630 1.00 0.00 H new ATOM 0 HD12 LEU A 134 15.940 3.370 9.301 1.00 0.00 H new ATOM 0 HD13 LEU A 134 17.382 2.980 8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 134 15.838 2.412 5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 134 17.134 1.367 6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 134 15.528 0.683 6.011 1.00 0.00 H new ATOM 1986 N HIS A 135 16.620 -2.884 7.978 1.00 0.00 N ATOM 1987 CA HIS A 135 17.605 -3.923 8.258 1.00 0.00 C ATOM 1988 C HIS A 135 17.094 -5.293 7.823 1.00 0.00 C ATOM 1989 O HIS A 135 17.862 -6.129 7.347 1.00 0.00 O ATOM 1990 CB HIS A 135 17.951 -3.944 9.749 1.00 0.00 C ATOM 1991 CG HIS A 135 16.758 -3.840 10.646 1.00 0.00 C ATOM 1992 ND1 HIS A 135 16.431 -2.660 11.271 1.00 0.00 N ATOM 1993 CD2 HIS A 135 15.855 -4.789 10.993 1.00 0.00 C ATOM 1994 CE1 HIS A 135 15.347 -2.914 11.979 1.00 0.00 C ATOM 1995 NE2 HIS A 135 14.959 -4.191 11.844 1.00 0.00 N ATOM 0 H HIS A 135 15.880 -3.167 7.336 1.00 0.00 H new ATOM 0 HA HIS A 135 18.505 -3.694 7.688 1.00 0.00 H new ATOM 0 HB2 HIS A 135 18.485 -4.867 9.976 1.00 0.00 H new ATOM 0 HB3 HIS A 135 18.631 -3.120 9.967 1.00 0.00 H new ATOM 0 HD1 HIS A 135 16.925 -1.770 11.202 1.00 0.00 H new ATOM 0 HD2 HIS A 135 15.843 -5.817 10.664 1.00 0.00 H new ATOM 0 HE1 HIS A 135 14.836 -2.185 12.591 1.00 0.00 H new ATOM 2003 N HIS A 136 15.795 -5.517 7.988 1.00 0.00 N ATOM 2004 CA HIS A 136 15.185 -6.787 7.609 1.00 0.00 C ATOM 2005 C HIS A 136 15.608 -7.191 6.200 1.00 0.00 C ATOM 2006 O HIS A 136 15.763 -6.342 5.322 1.00 0.00 O ATOM 2007 CB HIS A 136 13.662 -6.692 7.692 1.00 0.00 C ATOM 2008 CG HIS A 136 12.973 -8.019 7.604 1.00 0.00 C ATOM 2009 ND1 HIS A 136 13.185 -8.999 8.543 1.00 0.00 N ATOM 2010 CD2 HIS A 136 12.095 -8.473 6.678 1.00 0.00 C ATOM 2011 CE1 HIS A 136 12.436 -10.022 8.171 1.00 0.00 C ATOM 2012 NE2 HIS A 136 11.757 -9.751 7.046 1.00 0.00 N ATOM 0 H HIS A 136 15.144 -4.837 8.381 1.00 0.00 H new ATOM 0 HA HIS A 136 15.530 -7.551 8.306 1.00 0.00 H new ATOM 0 HB2 HIS A 136 13.387 -6.211 8.630 1.00 0.00 H new ATOM 0 HB3 HIS A 136 13.302 -6.051 6.887 1.00 0.00 H new ATOM 0 HD1 HIS A 136 13.795 -8.948 9.359 1.00 0.00 H new ATOM 0 HD2 HIS A 136 11.731 -7.933 5.816 1.00 0.00 H new ATOM 0 HE1 HIS A 136 12.378 -10.959 8.705 1.00 0.00 H new ATOM 2020 N ARG A 137 15.794 -8.490 5.992 1.00 0.00 N ATOM 2021 CA ARG A 137 16.201 -9.004 4.689 1.00 0.00 C ATOM 2022 C ARG A 137 15.013 -9.591 3.934 1.00 0.00 C ATOM 2023 O ARG A 137 13.896 -9.631 4.448 1.00 0.00 O ATOM 2024 CB ARG A 137 17.290 -10.066 4.856 1.00 0.00 C ATOM 2025 CG ARG A 137 18.530 -9.802 4.016 1.00 0.00 C ATOM 2026 CD ARG A 137 19.738 -10.553 4.553 1.00 0.00 C ATOM 2027 NE ARG A 137 19.959 -10.291 5.972 1.00 0.00 N ATOM 2028 CZ ARG A 137 20.579 -11.137 6.789 1.00 0.00 C ATOM 2029 NH1 ARG A 137 21.040 -12.291 6.327 1.00 0.00 N ATOM 2030 NH2 ARG A 137 20.740 -10.829 8.068 1.00 0.00 N ATOM 0 H ARG A 137 15.670 -9.206 6.708 1.00 0.00 H new ATOM 0 HA ARG A 137 16.598 -8.172 4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 137 17.577 -10.118 5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 137 16.880 -11.040 4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 137 18.343 -10.102 2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 137 18.741 -8.733 4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 137 19.597 -11.623 4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 137 20.625 -10.264 3.989 1.00 0.00 H new ATOM 0 HE ARG A 137 19.619 -9.410 6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 137 20.919 -12.531 5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 137 21.515 -12.939 6.955 1.00 0.00 H new ATOM 0 HH21 ARG A 137 20.388 -9.942 8.427 1.00 0.00 H new ATOM 0 HH22 ARG A 137 21.216 -11.479 8.693 1.00 0.00 H new ATOM 2044 N ASP A 138 15.266 -10.045 2.711 1.00 0.00 N ATOM 2045 CA ASP A 138 14.222 -10.632 1.879 1.00 0.00 C ATOM 2046 C ASP A 138 14.577 -12.062 1.490 1.00 0.00 C ATOM 2047 O ASP A 138 15.750 -12.436 1.474 1.00 0.00 O ATOM 2048 CB ASP A 138 14.013 -9.789 0.620 1.00 0.00 C ATOM 2049 CG ASP A 138 12.547 -9.625 0.271 1.00 0.00 C ATOM 2050 OD1 ASP A 138 11.809 -10.632 0.327 1.00 0.00 O ATOM 2051 OD2 ASP A 138 12.137 -8.494 -0.059 1.00 0.00 O ATOM 0 H ASP A 138 16.187 -10.018 2.273 1.00 0.00 H new ATOM 0 HA ASP A 138 13.298 -10.649 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 138 14.461 -8.806 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 138 14.533 -10.256 -0.217 1.00 0.00 H new ATOM 2056 N ALA A 139 13.560 -12.857 1.168 1.00 0.00 N ATOM 2057 CA ALA A 139 13.778 -14.242 0.770 1.00 0.00 C ATOM 2058 C ALA A 139 14.833 -14.319 -0.323 1.00 0.00 C ATOM 2059 O ALA A 139 15.468 -15.354 -0.524 1.00 0.00 O ATOM 2060 CB ALA A 139 12.475 -14.873 0.300 1.00 0.00 C ATOM 0 H ALA A 139 12.582 -12.567 1.175 1.00 0.00 H new ATOM 0 HA ALA A 139 14.136 -14.799 1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 139 12.656 -15.907 0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 139 11.746 -14.848 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 139 12.088 -14.316 -0.554 1.00 0.00 H new ATOM 2066 N SER A 140 15.013 -13.206 -1.020 1.00 0.00 N ATOM 2067 CA SER A 140 15.990 -13.117 -2.096 1.00 0.00 C ATOM 2068 C SER A 140 17.406 -13.053 -1.535 1.00 0.00 C ATOM 2069 O SER A 140 18.244 -13.902 -1.838 1.00 0.00 O ATOM 2070 CB SER A 140 15.711 -11.886 -2.951 1.00 0.00 C ATOM 2071 OG SER A 140 15.013 -12.232 -4.135 1.00 0.00 O ATOM 0 H SER A 140 14.490 -12.345 -0.857 1.00 0.00 H new ATOM 0 HA SER A 140 15.905 -14.010 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 140 15.126 -11.167 -2.378 1.00 0.00 H new ATOM 0 HB3 SER A 140 16.651 -11.399 -3.209 1.00 0.00 H new ATOM 0 HG SER A 140 14.845 -11.424 -4.664 1.00 0.00 H new ATOM 2077 N GLY A 141 17.664 -12.040 -0.712 1.00 0.00 N ATOM 2078 CA GLY A 141 18.978 -11.882 -0.117 1.00 0.00 C ATOM 2079 C GLY A 141 19.587 -10.521 -0.388 1.00 0.00 C ATOM 2080 O GLY A 141 20.772 -10.418 -0.702 1.00 0.00 O ATOM 0 H GLY A 141 16.986 -11.326 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 141 18.905 -12.034 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 141 19.642 -12.655 -0.503 1.00 0.00 H new ATOM 2084 N LEU A 142 18.778 -9.471 -0.265 1.00 0.00 N ATOM 2085 CA LEU A 142 19.251 -8.110 -0.499 1.00 0.00 C ATOM 2086 C LEU A 142 18.427 -7.096 0.290 1.00 0.00 C ATOM 2087 O LEU A 142 17.238 -6.913 0.032 1.00 0.00 O ATOM 2088 CB LEU A 142 19.197 -7.769 -1.990 1.00 0.00 C ATOM 2089 CG LEU A 142 19.559 -8.917 -2.934 1.00 0.00 C ATOM 2090 CD1 LEU A 142 18.389 -9.875 -3.078 1.00 0.00 C ATOM 2091 CD2 LEU A 142 19.976 -8.377 -4.292 1.00 0.00 C ATOM 0 H LEU A 142 17.794 -9.537 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 142 20.285 -8.058 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 142 18.191 -7.425 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 142 19.874 -6.936 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 142 20.401 -9.463 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 142 18.663 -10.686 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 142 18.133 -10.287 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 142 17.529 -9.341 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 142 20.230 -9.207 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 142 19.154 -7.808 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 142 20.844 -7.728 -4.175 1.00 0.00 H new ATOM 2103 N THR A 143 19.070 -6.435 1.246 1.00 0.00 N ATOM 2104 CA THR A 143 18.403 -5.433 2.068 1.00 0.00 C ATOM 2105 C THR A 143 18.363 -4.090 1.344 1.00 0.00 C ATOM 2106 O THR A 143 18.764 -3.991 0.184 1.00 0.00 O ATOM 2107 CB THR A 143 19.126 -5.286 3.407 1.00 0.00 C ATOM 2108 OG1 THR A 143 19.964 -4.143 3.401 1.00 0.00 O ATOM 2109 CG2 THR A 143 19.984 -6.481 3.759 1.00 0.00 C ATOM 0 H THR A 143 20.055 -6.576 1.471 1.00 0.00 H new ATOM 0 HA THR A 143 17.379 -5.760 2.252 1.00 0.00 H new ATOM 0 HB THR A 143 18.336 -5.194 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 143 20.162 -3.878 4.323 1.00 0.00 H new ATOM 0 HG21 THR A 143 20.468 -6.311 4.721 1.00 0.00 H new ATOM 0 HG22 THR A 143 19.359 -7.372 3.820 1.00 0.00 H new ATOM 0 HG23 THR A 143 20.744 -6.623 2.990 1.00 0.00 H new ATOM 2117 N PRO A 144 17.883 -3.034 2.019 1.00 0.00 N ATOM 2118 CA PRO A 144 17.801 -1.697 1.430 1.00 0.00 C ATOM 2119 C PRO A 144 19.075 -1.322 0.680 1.00 0.00 C ATOM 2120 O PRO A 144 19.027 -0.924 -0.484 1.00 0.00 O ATOM 2121 CB PRO A 144 17.604 -0.797 2.647 1.00 0.00 C ATOM 2122 CG PRO A 144 16.879 -1.655 3.625 1.00 0.00 C ATOM 2123 CD PRO A 144 17.386 -3.056 3.409 1.00 0.00 C ATOM 0 HA PRO A 144 17.005 -1.615 0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 144 18.558 -0.456 3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 144 17.028 0.093 2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 144 17.068 -1.326 4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 144 15.802 -1.602 3.467 1.00 0.00 H new ATOM 0 HD2 PRO A 144 18.178 -3.309 4.114 1.00 0.00 H new ATOM 0 HD3 PRO A 144 16.594 -3.794 3.540 1.00 0.00 H new ATOM 2131 N LEU A 145 20.212 -1.457 1.352 1.00 0.00 N ATOM 2132 CA LEU A 145 21.499 -1.136 0.747 1.00 0.00 C ATOM 2133 C LEU A 145 21.901 -2.199 -0.272 1.00 0.00 C ATOM 2134 O LEU A 145 22.489 -1.887 -1.308 1.00 0.00 O ATOM 2135 CB LEU A 145 22.577 -1.011 1.827 1.00 0.00 C ATOM 2136 CG LEU A 145 22.802 0.408 2.353 1.00 0.00 C ATOM 2137 CD1 LEU A 145 23.936 0.426 3.367 1.00 0.00 C ATOM 2138 CD2 LEU A 145 23.095 1.362 1.205 1.00 0.00 C ATOM 0 H LEU A 145 20.269 -1.786 2.316 1.00 0.00 H new ATOM 0 HA LEU A 145 21.402 -0.182 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 145 22.308 -1.655 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 145 23.518 -1.387 1.426 1.00 0.00 H new ATOM 0 HG LEU A 145 21.891 0.740 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 145 24.083 1.443 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 145 23.686 -0.226 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 145 24.853 0.074 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 145 23.252 2.367 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 145 23.991 1.034 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 145 22.252 1.370 0.515 1.00 0.00 H new ATOM 2150 N GLU A 146 21.583 -3.454 0.030 1.00 0.00 N ATOM 2151 CA GLU A 146 21.914 -4.562 -0.861 1.00 0.00 C ATOM 2152 C GLU A 146 21.177 -4.432 -2.190 1.00 0.00 C ATOM 2153 O GLU A 146 21.799 -4.256 -3.238 1.00 0.00 O ATOM 2154 CB GLU A 146 21.567 -5.899 -0.203 1.00 0.00 C ATOM 2155 CG GLU A 146 22.384 -7.067 -0.732 1.00 0.00 C ATOM 2156 CD GLU A 146 21.520 -8.229 -1.180 1.00 0.00 C ATOM 2157 OE1 GLU A 146 20.433 -7.980 -1.741 1.00 0.00 O ATOM 2158 OE2 GLU A 146 21.932 -9.390 -0.967 1.00 0.00 O ATOM 0 H GLU A 146 21.097 -3.729 0.884 1.00 0.00 H new ATOM 0 HA GLU A 146 22.986 -4.528 -1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 146 21.721 -5.816 0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 146 20.508 -6.107 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 146 22.994 -6.729 -1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 146 23.069 -7.407 0.044 1.00 0.00 H new ATOM 2165 N LEU A 147 19.851 -4.518 -2.141 1.00 0.00 N ATOM 2166 CA LEU A 147 19.039 -4.407 -3.345 1.00 0.00 C ATOM 2167 C LEU A 147 19.396 -3.142 -4.114 1.00 0.00 C ATOM 2168 O LEU A 147 19.582 -3.175 -5.331 1.00 0.00 O ATOM 2169 CB LEU A 147 17.551 -4.396 -2.989 1.00 0.00 C ATOM 2170 CG LEU A 147 16.676 -5.322 -3.838 1.00 0.00 C ATOM 2171 CD1 LEU A 147 15.216 -4.908 -3.743 1.00 0.00 C ATOM 2172 CD2 LEU A 147 17.142 -5.317 -5.286 1.00 0.00 C ATOM 0 H LEU A 147 19.319 -4.664 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 147 19.244 -5.273 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 147 17.441 -4.677 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 147 17.177 -3.377 -3.087 1.00 0.00 H new ATOM 0 HG LEU A 147 16.771 -6.337 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 147 14.608 -5.577 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 147 14.889 -4.965 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 147 15.104 -3.886 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 147 16.508 -5.981 -5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 147 17.077 -4.305 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 147 18.175 -5.662 -5.337 1.00 0.00 H new ATOM 2184 N ALA A 148 19.502 -2.028 -3.397 1.00 0.00 N ATOM 2185 CA ALA A 148 19.850 -0.760 -4.019 1.00 0.00 C ATOM 2186 C ALA A 148 21.166 -0.886 -4.776 1.00 0.00 C ATOM 2187 O ALA A 148 21.362 -0.251 -5.812 1.00 0.00 O ATOM 2188 CB ALA A 148 19.937 0.341 -2.974 1.00 0.00 C ATOM 0 H ALA A 148 19.352 -1.979 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 148 19.067 -0.495 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 148 20.198 1.282 -3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 148 18.974 0.445 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 148 20.701 0.086 -2.240 1.00 0.00 H new ATOM 2194 N ARG A 149 22.060 -1.723 -4.258 1.00 0.00 N ATOM 2195 CA ARG A 149 23.352 -1.948 -4.892 1.00 0.00 C ATOM 2196 C ARG A 149 23.160 -2.627 -6.241 1.00 0.00 C ATOM 2197 O ARG A 149 23.760 -2.230 -7.241 1.00 0.00 O ATOM 2198 CB ARG A 149 24.247 -2.806 -3.994 1.00 0.00 C ATOM 2199 CG ARG A 149 25.724 -2.464 -4.100 1.00 0.00 C ATOM 2200 CD ARG A 149 26.372 -3.157 -5.288 1.00 0.00 C ATOM 2201 NE ARG A 149 27.518 -2.411 -5.801 1.00 0.00 N ATOM 2202 CZ ARG A 149 28.668 -2.288 -5.146 1.00 0.00 C ATOM 2203 NH1 ARG A 149 28.821 -2.854 -3.958 1.00 0.00 N ATOM 2204 NH2 ARG A 149 29.666 -1.597 -5.681 1.00 0.00 N ATOM 0 H ARG A 149 21.912 -2.256 -3.401 1.00 0.00 H new ATOM 0 HA ARG A 149 23.837 -0.984 -5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 149 23.929 -2.687 -2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 149 24.106 -3.856 -4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 149 25.843 -1.385 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 149 26.234 -2.759 -3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 149 26.693 -4.156 -4.994 1.00 0.00 H new ATOM 0 HD3 ARG A 149 25.635 -3.280 -6.082 1.00 0.00 H new ATOM 0 HE ARG A 149 27.431 -1.960 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 149 28.055 -3.386 -3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 149 29.705 -2.758 -3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 149 29.551 -1.160 -6.595 1.00 0.00 H new ATOM 0 HH22 ARG A 149 30.548 -1.503 -5.178 1.00 0.00 H new ATOM 2218 N GLN A 150 22.304 -3.644 -6.263 1.00 0.00 N ATOM 2219 CA GLN A 150 22.012 -4.368 -7.492 1.00 0.00 C ATOM 2220 C GLN A 150 21.449 -3.408 -8.530 1.00 0.00 C ATOM 2221 O GLN A 150 22.107 -3.091 -9.520 1.00 0.00 O ATOM 2222 CB GLN A 150 21.021 -5.500 -7.217 1.00 0.00 C ATOM 2223 CG GLN A 150 20.373 -6.061 -8.471 1.00 0.00 C ATOM 2224 CD GLN A 150 21.385 -6.645 -9.439 1.00 0.00 C ATOM 2225 OE1 GLN A 150 21.354 -6.356 -10.635 1.00 0.00 O ATOM 2226 NE2 GLN A 150 22.289 -7.471 -8.923 1.00 0.00 N ATOM 0 H GLN A 150 21.801 -3.984 -5.443 1.00 0.00 H new ATOM 0 HA GLN A 150 22.933 -4.805 -7.877 1.00 0.00 H new ATOM 0 HB2 GLN A 150 21.538 -6.305 -6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 150 20.242 -5.135 -6.548 1.00 0.00 H new ATOM 0 HG2 GLN A 150 19.656 -6.833 -8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 150 19.812 -5.271 -8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 150 22.276 -7.682 -7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 150 22.996 -7.894 -9.525 1.00 0.00 H new ATOM 2235 N ARG A 151 20.236 -2.924 -8.279 1.00 0.00 N ATOM 2236 CA ARG A 151 19.599 -1.972 -9.173 1.00 0.00 C ATOM 2237 C ARG A 151 20.264 -0.614 -9.012 1.00 0.00 C ATOM 2238 O ARG A 151 19.649 0.334 -8.529 1.00 0.00 O ATOM 2239 CB ARG A 151 18.105 -1.860 -8.864 1.00 0.00 C ATOM 2240 CG ARG A 151 17.224 -1.885 -10.101 1.00 0.00 C ATOM 2241 CD ARG A 151 16.901 -3.309 -10.525 1.00 0.00 C ATOM 2242 NE ARG A 151 17.993 -3.916 -11.279 1.00 0.00 N ATOM 2243 CZ ARG A 151 18.145 -3.778 -12.592 1.00 0.00 C ATOM 2244 NH1 ARG A 151 17.281 -3.054 -13.289 1.00 0.00 N ATOM 2245 NH2 ARG A 151 19.162 -4.364 -13.210 1.00 0.00 N ATOM 0 H ARG A 151 19.678 -3.177 -7.464 1.00 0.00 H new ATOM 0 HA ARG A 151 19.711 -2.318 -10.200 1.00 0.00 H new ATOM 0 HB2 ARG A 151 17.816 -2.680 -8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 151 17.924 -0.934 -8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 151 16.299 -1.345 -9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 151 17.726 -1.366 -10.917 1.00 0.00 H new ATOM 0 HD2 ARG A 151 16.692 -3.912 -9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 151 15.996 -3.310 -11.133 1.00 0.00 H new ATOM 0 HE ARG A 151 18.677 -4.477 -10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 151 16.498 -2.602 -12.818 1.00 0.00 H new ATOM 0 HH12 ARG A 151 17.399 -2.949 -14.297 1.00 0.00 H new ATOM 0 HH21 ARG A 151 19.829 -4.922 -12.677 1.00 0.00 H new ATOM 0 HH22 ARG A 151 19.277 -4.257 -14.218 1.00 0.00 H new ATOM 2259 N GLY A 152 21.529 -0.533 -9.401 1.00 0.00 N ATOM 2260 CA GLY A 152 22.276 0.704 -9.275 1.00 0.00 C ATOM 2261 C GLY A 152 21.733 1.830 -10.131 1.00 0.00 C ATOM 2262 O GLY A 152 22.483 2.483 -10.855 1.00 0.00 O ATOM 0 H GLY A 152 22.055 -1.308 -9.805 1.00 0.00 H new ATOM 0 HA2 GLY A 152 22.271 1.017 -8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 152 23.315 0.520 -9.547 1.00 0.00 H new ATOM 2266 N ALA A 153 20.433 2.076 -10.030 1.00 0.00 N ATOM 2267 CA ALA A 153 19.805 3.150 -10.781 1.00 0.00 C ATOM 2268 C ALA A 153 20.436 4.480 -10.382 1.00 0.00 C ATOM 2269 O ALA A 153 21.639 4.542 -10.132 1.00 0.00 O ATOM 2270 CB ALA A 153 18.305 3.155 -10.526 1.00 0.00 C ATOM 0 H ALA A 153 19.796 1.546 -9.436 1.00 0.00 H new ATOM 0 HA ALA A 153 19.963 2.996 -11.848 1.00 0.00 H new ATOM 0 HB1 ALA A 153 17.842 3.963 -11.093 1.00 0.00 H new ATOM 0 HB2 ALA A 153 17.879 2.202 -10.840 1.00 0.00 H new ATOM 0 HB3 ALA A 153 18.117 3.304 -9.463 1.00 0.00 H new ATOM 2276 N GLN A 154 19.637 5.540 -10.297 1.00 0.00 N ATOM 2277 CA GLN A 154 20.174 6.833 -9.897 1.00 0.00 C ATOM 2278 C GLN A 154 20.772 6.719 -8.498 1.00 0.00 C ATOM 2279 O GLN A 154 21.264 5.656 -8.118 1.00 0.00 O ATOM 2280 CB GLN A 154 19.090 7.920 -9.946 1.00 0.00 C ATOM 2281 CG GLN A 154 18.062 7.835 -8.829 1.00 0.00 C ATOM 2282 CD GLN A 154 17.253 6.558 -8.874 1.00 0.00 C ATOM 2283 OE1 GLN A 154 17.863 5.462 -8.448 1.00 0.00 O flip ATOM 2284 NE2 GLN A 154 16.092 6.557 -9.285 1.00 0.00 N flip ATOM 0 H GLN A 154 18.637 5.530 -10.495 1.00 0.00 H new ATOM 0 HA GLN A 154 20.957 7.125 -10.597 1.00 0.00 H new ATOM 0 HB2 GLN A 154 19.571 8.897 -9.906 1.00 0.00 H new ATOM 0 HB3 GLN A 154 18.573 7.857 -10.904 1.00 0.00 H new ATOM 0 HG2 GLN A 154 18.570 7.904 -7.867 1.00 0.00 H new ATOM 0 HG3 GLN A 154 17.388 8.689 -8.895 1.00 0.00 H new ATOM 0 HE21 GLN A 154 15.663 7.426 -9.603 1.00 0.00 H new ATOM 0 HE22 GLN A 154 15.560 5.687 -9.307 1.00 0.00 H new ATOM 2293 N ASN A 155 20.734 7.798 -7.729 1.00 0.00 N ATOM 2294 CA ASN A 155 21.283 7.782 -6.373 1.00 0.00 C ATOM 2295 C ASN A 155 20.377 7.023 -5.395 1.00 0.00 C ATOM 2296 O ASN A 155 20.143 7.487 -4.281 1.00 0.00 O ATOM 2297 CB ASN A 155 21.497 9.213 -5.877 1.00 0.00 C ATOM 2298 CG ASN A 155 22.718 9.863 -6.499 1.00 0.00 C ATOM 2299 OD1 ASN A 155 23.448 9.231 -7.266 1.00 0.00 O ATOM 2300 ND2 ASN A 155 22.948 11.128 -6.173 1.00 0.00 N ATOM 0 H ASN A 155 20.333 8.691 -8.014 1.00 0.00 H new ATOM 0 HA ASN A 155 22.239 7.259 -6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 155 20.614 9.810 -6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 155 21.605 9.207 -4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 155 23.755 11.616 -6.561 1.00 0.00 H new ATOM 0 HD22 ASN A 155 22.318 11.613 -5.534 1.00 0.00 H new ATOM 2307 N LEU A 156 19.870 5.856 -5.804 1.00 0.00 N ATOM 2308 CA LEU A 156 18.996 5.063 -4.940 1.00 0.00 C ATOM 2309 C LEU A 156 19.765 4.480 -3.759 1.00 0.00 C ATOM 2310 O LEU A 156 19.371 4.654 -2.606 1.00 0.00 O ATOM 2311 CB LEU A 156 18.308 3.940 -5.724 1.00 0.00 C ATOM 2312 CG LEU A 156 19.217 2.800 -6.191 1.00 0.00 C ATOM 2313 CD1 LEU A 156 18.385 1.644 -6.722 1.00 0.00 C ATOM 2314 CD2 LEU A 156 20.189 3.292 -7.249 1.00 0.00 C ATOM 0 H LEU A 156 20.049 5.444 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 156 18.229 5.736 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 156 17.519 3.518 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 156 17.825 4.376 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 156 19.794 2.445 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 156 19.045 0.841 -7.050 1.00 0.00 H new ATOM 0 HD12 LEU A 156 17.729 1.275 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 156 17.783 1.986 -7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 156 20.827 2.468 -7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 156 19.633 3.673 -8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 156 20.806 4.088 -6.834 1.00 0.00 H new ATOM 2326 N MET A 157 20.862 3.790 -4.049 1.00 0.00 N ATOM 2327 CA MET A 157 21.676 3.193 -3.012 1.00 0.00 C ATOM 2328 C MET A 157 22.121 4.257 -2.020 1.00 0.00 C ATOM 2329 O MET A 157 22.253 3.997 -0.824 1.00 0.00 O ATOM 2330 CB MET A 157 22.886 2.500 -3.643 1.00 0.00 C ATOM 2331 CG MET A 157 24.098 3.402 -3.798 1.00 0.00 C ATOM 2332 SD MET A 157 25.122 3.452 -2.316 1.00 0.00 S ATOM 2333 CE MET A 157 25.270 1.704 -1.950 1.00 0.00 C ATOM 0 H MET A 157 21.204 3.633 -4.997 1.00 0.00 H new ATOM 0 HA MET A 157 21.088 2.449 -2.474 1.00 0.00 H new ATOM 0 HB2 MET A 157 23.160 1.641 -3.031 1.00 0.00 H new ATOM 0 HB3 MET A 157 22.603 2.116 -4.623 1.00 0.00 H new ATOM 0 HG2 MET A 157 24.699 3.055 -4.638 1.00 0.00 H new ATOM 0 HG3 MET A 157 23.766 4.412 -4.039 1.00 0.00 H new ATOM 0 HE1 MET A 157 26.143 1.537 -1.319 1.00 0.00 H new ATOM 0 HE2 MET A 157 24.375 1.364 -1.429 1.00 0.00 H new ATOM 0 HE3 MET A 157 25.383 1.146 -2.879 1.00 0.00 H new ATOM 2343 N ASP A 158 22.342 5.462 -2.532 1.00 0.00 N ATOM 2344 CA ASP A 158 22.764 6.579 -1.701 1.00 0.00 C ATOM 2345 C ASP A 158 21.606 7.104 -0.858 1.00 0.00 C ATOM 2346 O ASP A 158 21.783 7.448 0.311 1.00 0.00 O ATOM 2347 CB ASP A 158 23.336 7.702 -2.568 1.00 0.00 C ATOM 2348 CG ASP A 158 22.277 8.372 -3.421 1.00 0.00 C ATOM 2349 OD1 ASP A 158 21.385 7.661 -3.928 1.00 0.00 O ATOM 2350 OD2 ASP A 158 22.341 9.608 -3.582 1.00 0.00 O ATOM 0 H ASP A 158 22.235 5.689 -3.521 1.00 0.00 H new ATOM 0 HA ASP A 158 23.542 6.221 -1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 158 23.807 8.447 -1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 158 24.116 7.297 -3.213 1.00 0.00 H new ATOM 2355 N ILE A 159 20.421 7.164 -1.458 1.00 0.00 N ATOM 2356 CA ILE A 159 19.243 7.643 -0.766 1.00 0.00 C ATOM 2357 C ILE A 159 19.047 6.895 0.550 1.00 0.00 C ATOM 2358 O ILE A 159 18.853 7.506 1.600 1.00 0.00 O ATOM 2359 CB ILE A 159 17.986 7.478 -1.643 1.00 0.00 C ATOM 2360 CG1 ILE A 159 18.012 8.459 -2.817 1.00 0.00 C ATOM 2361 CG2 ILE A 159 16.735 7.679 -0.814 1.00 0.00 C ATOM 2362 CD1 ILE A 159 17.402 7.900 -4.087 1.00 0.00 C ATOM 0 H ILE A 159 20.257 6.884 -2.425 1.00 0.00 H new ATOM 0 HA ILE A 159 19.392 8.702 -0.555 1.00 0.00 H new ATOM 0 HB ILE A 159 17.979 6.465 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 159 17.476 9.365 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 159 19.044 8.748 -3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 159 15.856 7.559 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 159 16.708 6.941 -0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 159 16.740 8.681 -0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 159 17.455 8.650 -4.877 1.00 0.00 H new ATOM 0 HD12 ILE A 159 17.952 7.010 -4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 159 16.360 7.637 -3.905 1.00 0.00 H new ATOM 2374 N LEU A 160 19.097 5.569 0.482 1.00 0.00 N ATOM 2375 CA LEU A 160 18.924 4.738 1.668 1.00 0.00 C ATOM 2376 C LEU A 160 20.161 4.793 2.558 1.00 0.00 C ATOM 2377 O LEU A 160 20.063 4.713 3.783 1.00 0.00 O ATOM 2378 CB LEU A 160 18.626 3.294 1.276 1.00 0.00 C ATOM 2379 CG LEU A 160 18.154 3.114 -0.161 1.00 0.00 C ATOM 2380 CD1 LEU A 160 17.651 1.697 -0.388 1.00 0.00 C ATOM 2381 CD2 LEU A 160 17.079 4.133 -0.500 1.00 0.00 C ATOM 0 H LEU A 160 19.256 5.047 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 160 18.076 5.131 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 160 19.525 2.697 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 160 17.864 2.898 1.948 1.00 0.00 H new ATOM 0 HG LEU A 160 19.002 3.280 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 160 17.319 1.590 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 160 18.456 0.989 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 160 16.817 1.495 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 160 16.754 3.990 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 160 16.229 4.002 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 160 17.482 5.139 -0.383 1.00 0.00 H new ATOM 2393 N GLN A 161 21.325 4.929 1.931 1.00 0.00 N ATOM 2394 CA GLN A 161 22.587 4.994 2.658 1.00 0.00 C ATOM 2395 C GLN A 161 22.537 6.066 3.743 1.00 0.00 C ATOM 2396 O GLN A 161 22.854 5.804 4.902 1.00 0.00 O ATOM 2397 CB GLN A 161 23.737 5.283 1.694 1.00 0.00 C ATOM 2398 CG GLN A 161 24.883 4.288 1.794 1.00 0.00 C ATOM 2399 CD GLN A 161 26.241 4.957 1.728 1.00 0.00 C ATOM 2400 OE1 GLN A 161 26.347 6.182 1.783 1.00 0.00 O ATOM 2401 NE2 GLN A 161 27.291 4.153 1.609 1.00 0.00 N ATOM 0 H GLN A 161 21.420 4.996 0.918 1.00 0.00 H new ATOM 0 HA GLN A 161 22.753 4.028 3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 161 23.353 5.281 0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 161 24.119 6.285 1.889 1.00 0.00 H new ATOM 0 HG2 GLN A 161 24.799 3.735 2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 161 24.800 3.561 0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 161 27.158 3.143 1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 161 28.231 4.546 1.560 1.00 0.00 H new ATOM 2410 N GLY A 162 22.137 7.272 3.356 1.00 0.00 N ATOM 2411 CA GLY A 162 22.053 8.365 4.307 1.00 0.00 C ATOM 2412 C GLY A 162 20.964 8.151 5.340 1.00 0.00 C ATOM 2413 O GLY A 162 21.192 8.325 6.537 1.00 0.00 O ATOM 0 H GLY A 162 21.870 7.512 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 162 23.012 8.478 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 162 21.864 9.295 3.771 1.00 0.00 H new ATOM 2417 N HIS A 163 19.778 7.772 4.877 1.00 0.00 N ATOM 2418 CA HIS A 163 18.649 7.535 5.769 1.00 0.00 C ATOM 2419 C HIS A 163 18.964 6.419 6.760 1.00 0.00 C ATOM 2420 O HIS A 163 18.754 6.566 7.963 1.00 0.00 O ATOM 2421 CB HIS A 163 17.400 7.176 4.960 1.00 0.00 C ATOM 2422 CG HIS A 163 16.503 8.345 4.697 1.00 0.00 C ATOM 2423 ND1 HIS A 163 16.830 9.609 5.123 1.00 0.00 N ATOM 2424 CD2 HIS A 163 15.311 8.390 4.052 1.00 0.00 C ATOM 2425 CE1 HIS A 163 15.840 10.391 4.734 1.00 0.00 C ATOM 2426 NE2 HIS A 163 14.895 9.696 4.080 1.00 0.00 N ATOM 0 H HIS A 163 19.573 7.622 3.889 1.00 0.00 H new ATOM 0 HA HIS A 163 18.461 8.451 6.328 1.00 0.00 H new ATOM 0 HB2 HIS A 163 17.706 6.741 4.008 1.00 0.00 H new ATOM 0 HB3 HIS A 163 16.838 6.410 5.495 1.00 0.00 H new ATOM 0 HD2 HIS A 163 14.790 7.557 3.603 1.00 0.00 H new ATOM 0 HE1 HIS A 163 15.796 11.454 4.918 1.00 0.00 H new ATOM 0 HE2 HIS A 163 14.033 10.068 3.681 1.00 0.00 H new ATOM 2434 N MET A 164 19.470 5.302 6.245 1.00 0.00 N ATOM 2435 CA MET A 164 19.816 4.161 7.084 1.00 0.00 C ATOM 2436 C MET A 164 20.872 4.546 8.114 1.00 0.00 C ATOM 2437 O MET A 164 20.934 3.969 9.200 1.00 0.00 O ATOM 2438 CB MET A 164 20.323 3.003 6.223 1.00 0.00 C ATOM 2439 CG MET A 164 20.627 1.742 7.016 1.00 0.00 C ATOM 2440 SD MET A 164 19.545 0.369 6.578 1.00 0.00 S ATOM 2441 CE MET A 164 20.570 -0.510 5.402 1.00 0.00 C ATOM 0 H MET A 164 19.649 5.164 5.250 1.00 0.00 H new ATOM 0 HA MET A 164 18.917 3.843 7.613 1.00 0.00 H new ATOM 0 HB2 MET A 164 19.577 2.773 5.463 1.00 0.00 H new ATOM 0 HB3 MET A 164 21.225 3.319 5.699 1.00 0.00 H new ATOM 0 HG2 MET A 164 21.664 1.451 6.846 1.00 0.00 H new ATOM 0 HG3 MET A 164 20.526 1.954 8.080 1.00 0.00 H new ATOM 0 HE1 MET A 164 20.263 -1.555 5.361 1.00 0.00 H new ATOM 0 HE2 MET A 164 20.459 -0.060 4.415 1.00 0.00 H new ATOM 0 HE3 MET A 164 21.613 -0.451 5.713 1.00 0.00 H new ATOM 2451 N MET A 165 21.700 5.525 7.766 1.00 0.00 N ATOM 2452 CA MET A 165 22.754 5.988 8.660 1.00 0.00 C ATOM 2453 C MET A 165 23.766 4.879 8.928 1.00 0.00 C ATOM 2454 O MET A 165 23.398 3.719 9.105 1.00 0.00 O ATOM 2455 CB MET A 165 22.153 6.477 9.979 1.00 0.00 C ATOM 2456 CG MET A 165 23.197 6.887 11.006 1.00 0.00 C ATOM 2457 SD MET A 165 23.724 8.600 10.813 1.00 0.00 S ATOM 2458 CE MET A 165 24.637 8.846 12.334 1.00 0.00 C ATOM 0 H MET A 165 21.661 6.013 6.871 1.00 0.00 H new ATOM 0 HA MET A 165 23.271 6.816 8.175 1.00 0.00 H new ATOM 0 HB2 MET A 165 21.499 7.326 9.779 1.00 0.00 H new ATOM 0 HB3 MET A 165 21.531 5.688 10.400 1.00 0.00 H new ATOM 0 HG2 MET A 165 22.791 6.746 12.008 1.00 0.00 H new ATOM 0 HG3 MET A 165 24.064 6.232 10.919 1.00 0.00 H new ATOM 0 HE1 MET A 165 25.028 9.863 12.363 1.00 0.00 H new ATOM 0 HE2 MET A 165 23.975 8.687 13.185 1.00 0.00 H new ATOM 0 HE3 MET A 165 25.464 8.138 12.380 1.00 0.00 H new ATOM 2468 N ILE A 166 25.042 5.247 8.960 1.00 0.00 N ATOM 2469 CA ILE A 166 26.108 4.284 9.209 1.00 0.00 C ATOM 2470 C ILE A 166 27.222 4.904 10.045 1.00 0.00 C ATOM 2471 O ILE A 166 28.095 5.597 9.523 1.00 0.00 O ATOM 2472 CB ILE A 166 26.704 3.752 7.892 1.00 0.00 C ATOM 2473 CG1 ILE A 166 25.599 3.197 6.993 1.00 0.00 C ATOM 2474 CG2 ILE A 166 27.749 2.684 8.178 1.00 0.00 C ATOM 2475 CD1 ILE A 166 25.097 4.188 5.965 1.00 0.00 C ATOM 0 H ILE A 166 25.363 6.204 8.817 1.00 0.00 H new ATOM 0 HA ILE A 166 25.664 3.454 9.758 1.00 0.00 H new ATOM 0 HB ILE A 166 27.189 4.577 7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 166 25.971 2.311 6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 166 24.763 2.877 7.615 1.00 0.00 H new ATOM 0 HG21 ILE A 166 28.161 2.317 7.238 1.00 0.00 H new ATOM 0 HG22 ILE A 166 28.549 3.110 8.783 1.00 0.00 H new ATOM 0 HG23 ILE A 166 27.287 1.858 8.718 1.00 0.00 H new ATOM 0 HD11 ILE A 166 24.315 3.724 5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 166 24.694 5.065 6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 166 25.921 4.490 5.318 1.00 0.00 H new ATOM 2487 N PRO A 167 27.203 4.657 11.364 1.00 0.00 N ATOM 2488 CA PRO A 167 28.211 5.189 12.284 1.00 0.00 C ATOM 2489 C PRO A 167 29.632 5.001 11.762 1.00 0.00 C ATOM 2490 O PRO A 167 29.933 4.009 11.098 1.00 0.00 O ATOM 2491 CB PRO A 167 27.993 4.365 13.552 1.00 0.00 C ATOM 2492 CG PRO A 167 26.549 3.996 13.515 1.00 0.00 C ATOM 2493 CD PRO A 167 26.194 3.838 12.060 1.00 0.00 C ATOM 0 HA PRO A 167 28.106 6.264 12.431 1.00 0.00 H new ATOM 0 HB2 PRO A 167 28.629 3.480 13.564 1.00 0.00 H new ATOM 0 HB3 PRO A 167 28.232 4.941 14.446 1.00 0.00 H new ATOM 0 HG2 PRO A 167 26.369 3.071 14.062 1.00 0.00 H new ATOM 0 HG3 PRO A 167 25.938 4.767 13.983 1.00 0.00 H new ATOM 0 HD2 PRO A 167 26.240 2.795 11.747 1.00 0.00 H new ATOM 0 HD3 PRO A 167 25.183 4.188 11.854 1.00 0.00 H new ATOM 2501 N MET A 168 30.500 5.960 12.069 1.00 0.00 N ATOM 2502 CA MET A 168 31.890 5.900 11.631 1.00 0.00 C ATOM 2503 C MET A 168 32.799 5.451 12.770 1.00 0.00 C ATOM 2504 O MET A 168 32.489 4.420 13.403 1.00 0.00 O ATOM 2505 CB MET A 168 32.342 7.265 11.110 1.00 0.00 C ATOM 2506 CG MET A 168 31.319 7.942 10.210 1.00 0.00 C ATOM 2507 SD MET A 168 31.574 9.722 10.084 1.00 0.00 S ATOM 2508 CE MET A 168 30.273 10.171 8.938 1.00 0.00 C ATOM 2509 OXT MET A 168 33.815 6.135 13.020 1.00 0.00 O ATOM 0 H MET A 168 30.266 6.787 12.619 1.00 0.00 H new ATOM 0 HA MET A 168 31.960 5.170 10.824 1.00 0.00 H new ATOM 0 HB2 MET A 168 32.555 7.916 11.958 1.00 0.00 H new ATOM 0 HB3 MET A 168 33.275 7.144 10.559 1.00 0.00 H new ATOM 0 HG2 MET A 168 31.368 7.501 9.215 1.00 0.00 H new ATOM 0 HG3 MET A 168 30.318 7.749 10.595 1.00 0.00 H new ATOM 0 HE1 MET A 168 30.301 11.246 8.759 1.00 0.00 H new ATOM 0 HE2 MET A 168 30.419 9.642 7.996 1.00 0.00 H new ATOM 0 HE3 MET A 168 29.306 9.898 9.361 1.00 0.00 H new TER 2519 MET A 168