USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 881 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 106 TYR OH : rot 130:sc= -0.212 USER MOD Set 1.2: A 108 SER OG : rot 180:sc= 0.00656 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00191) USER MOD Single : A 3 LYS NZ :NH3+ -123:sc= -1.3 (180deg=-3.39!) USER MOD Single : A 7 ASN : amide:sc=-0.00999 X(o=-0.01,f=-0.18) USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= -2.32 (180deg=-2.4) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.0217 (180deg=-0.265) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.0494 (180deg=-0.528) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 35:sc= -0.152 USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -0.0257 (180deg=-0.281) USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= -0.219 (180deg=-0.385) USER MOD Single : A 24 THR OG1 : rot -25:sc= 0.123 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00289 USER MOD Single : A 33 SER OG : rot -30:sc= 0.46 USER MOD Single : A 36 SER OG : rot 101:sc= 0.93 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot -47:sc= -0.36! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= -0.0969 (180deg=-0.664) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -81:sc= -0.293 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -54:sc= -2.2 USER MOD Single : A 69 LYS NZ :NH3+ 160:sc= -0.0905 (180deg=-0.593) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= -0.0402 (180deg=-0.359) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -139:sc= 0 (180deg=-0.299) USER MOD Single : A 107 CYS SG : rot 180:sc= -0.341 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.165 -9.151 33.101 1.00 0.00 N ATOM 2 CA GLY A 1 2.627 -8.428 31.885 1.00 0.00 C ATOM 3 C GLY A 1 3.885 -9.097 31.341 1.00 0.00 C ATOM 4 O GLY A 1 4.949 -9.032 31.957 1.00 0.00 O ATOM 0 H1 GLY A 1 1.307 -8.694 33.471 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.953 -10.140 32.858 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.911 -9.125 33.825 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.844 -8.432 31.127 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.832 -7.385 32.125 1.00 0.00 H new ATOM 7 N LYS A 2 3.755 -9.735 30.182 1.00 0.00 N ATOM 8 CA LYS A 2 4.890 -10.410 29.563 1.00 0.00 C ATOM 9 C LYS A 2 5.958 -9.400 29.157 1.00 0.00 C ATOM 10 O LYS A 2 6.989 -9.272 29.819 1.00 0.00 O ATOM 11 CB LYS A 2 4.430 -11.199 28.330 1.00 0.00 C ATOM 12 CG LYS A 2 3.867 -12.552 28.773 1.00 0.00 C ATOM 13 CD LYS A 2 3.605 -13.415 27.548 1.00 0.00 C ATOM 14 CE LYS A 2 3.282 -14.837 27.998 1.00 0.00 C ATOM 15 NZ LYS A 2 1.891 -14.891 28.525 1.00 0.00 N ATOM 0 H LYS A 2 2.883 -9.799 29.656 1.00 0.00 H new ATOM 0 HA LYS A 2 5.316 -11.100 30.292 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.670 -10.637 27.787 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.266 -11.347 27.646 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.571 -13.051 29.439 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.944 -12.408 29.334 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.776 -13.006 26.970 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.478 -13.416 26.895 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.392 -15.527 27.162 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.986 -15.154 28.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.667 -15.864 28.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.806 -14.257 29.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.227 -14.590 27.784 1.00 0.00 H new ATOM 29 N LYS A 3 5.707 -8.694 28.062 1.00 0.00 N ATOM 30 CA LYS A 3 6.651 -7.702 27.566 1.00 0.00 C ATOM 31 C LYS A 3 7.941 -8.373 27.103 1.00 0.00 C ATOM 32 O LYS A 3 8.814 -7.729 26.521 1.00 0.00 O ATOM 33 CB LYS A 3 6.971 -6.681 28.662 1.00 0.00 C ATOM 34 CG LYS A 3 7.538 -5.404 28.037 1.00 0.00 C ATOM 35 CD LYS A 3 7.718 -4.345 29.128 1.00 0.00 C ATOM 36 CE LYS A 3 8.728 -4.841 30.177 1.00 0.00 C ATOM 37 NZ LYS A 3 8.005 -5.616 31.226 1.00 0.00 N ATOM 0 H LYS A 3 4.860 -8.790 27.502 1.00 0.00 H new ATOM 0 HA LYS A 3 6.194 -7.191 26.719 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.070 -6.449 29.229 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.690 -7.102 29.365 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.493 -5.614 27.556 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.866 -5.035 27.263 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.067 -3.412 28.687 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.760 -4.134 29.604 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.485 -5.466 29.703 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.248 -3.995 30.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.187 -5.192 32.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.984 -5.596 31.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.339 -6.601 31.222 1.00 0.00 H new ATOM 51 N VAL A 4 8.059 -9.671 27.368 1.00 0.00 N ATOM 52 CA VAL A 4 9.249 -10.419 26.978 1.00 0.00 C ATOM 53 C VAL A 4 9.097 -10.934 25.553 1.00 0.00 C ATOM 54 O VAL A 4 8.252 -10.456 24.799 1.00 0.00 O ATOM 55 CB VAL A 4 9.460 -11.594 27.935 1.00 0.00 C ATOM 56 CG1 VAL A 4 9.826 -11.064 29.321 1.00 0.00 C ATOM 57 CG2 VAL A 4 8.175 -12.416 28.028 1.00 0.00 C ATOM 0 H VAL A 4 7.349 -10.224 27.849 1.00 0.00 H new ATOM 0 HA VAL A 4 10.115 -9.758 27.026 1.00 0.00 H new ATOM 0 HB VAL A 4 10.267 -12.224 27.561 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.976 -11.901 30.003 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.744 -10.479 29.256 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.019 -10.433 29.694 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.327 -13.253 28.710 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.367 -11.787 28.400 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.914 -12.796 27.040 1.00 0.00 H new ATOM 67 N GLU A 5 9.928 -11.907 25.186 1.00 0.00 N ATOM 68 CA GLU A 5 9.891 -12.488 23.845 1.00 0.00 C ATOM 69 C GLU A 5 9.358 -13.915 23.888 1.00 0.00 C ATOM 70 O GLU A 5 9.519 -14.623 24.882 1.00 0.00 O ATOM 71 CB GLU A 5 11.298 -12.487 23.247 1.00 0.00 C ATOM 72 CG GLU A 5 12.232 -13.322 24.127 1.00 0.00 C ATOM 73 CD GLU A 5 13.655 -13.261 23.579 1.00 0.00 C ATOM 74 OE1 GLU A 5 14.074 -12.179 23.197 1.00 0.00 O ATOM 75 OE2 GLU A 5 14.303 -14.291 23.552 1.00 0.00 O ATOM 0 H GLU A 5 10.636 -12.310 25.799 1.00 0.00 H new ATOM 0 HA GLU A 5 9.225 -11.887 23.226 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.274 -12.894 22.236 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.671 -11.466 23.171 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.211 -12.949 25.151 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.889 -14.356 24.158 1.00 0.00 H new ATOM 82 N PHE A 6 8.726 -14.332 22.796 1.00 0.00 N ATOM 83 CA PHE A 6 8.172 -15.676 22.703 1.00 0.00 C ATOM 84 C PHE A 6 8.039 -16.098 21.246 1.00 0.00 C ATOM 85 O PHE A 6 6.959 -16.022 20.662 1.00 0.00 O ATOM 86 CB PHE A 6 6.793 -15.729 23.386 1.00 0.00 C ATOM 87 CG PHE A 6 6.970 -15.923 24.874 1.00 0.00 C ATOM 88 CD1 PHE A 6 7.530 -17.113 25.354 1.00 0.00 C ATOM 89 CD2 PHE A 6 6.573 -14.925 25.770 1.00 0.00 C ATOM 90 CE1 PHE A 6 7.697 -17.301 26.729 1.00 0.00 C ATOM 91 CE2 PHE A 6 6.740 -15.117 27.146 1.00 0.00 C ATOM 92 CZ PHE A 6 7.301 -16.305 27.626 1.00 0.00 C ATOM 0 H PHE A 6 8.585 -13.759 21.964 1.00 0.00 H new ATOM 0 HA PHE A 6 8.850 -16.364 23.209 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.245 -14.807 23.192 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.202 -16.545 22.971 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.833 -17.885 24.662 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.138 -14.008 25.401 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.133 -18.217 27.099 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.435 -14.346 27.839 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.428 -16.452 28.688 1.00 0.00 H new ATOM 102 N ASN A 7 9.148 -16.548 20.665 1.00 0.00 N ATOM 103 CA ASN A 7 9.147 -16.986 19.272 1.00 0.00 C ATOM 104 C ASN A 7 10.175 -18.090 19.050 1.00 0.00 C ATOM 105 O ASN A 7 11.306 -17.826 18.644 1.00 0.00 O ATOM 106 CB ASN A 7 9.456 -15.804 18.359 1.00 0.00 C ATOM 107 CG ASN A 7 9.425 -16.248 16.902 1.00 0.00 C ATOM 108 OD1 ASN A 7 10.474 -16.500 16.308 1.00 0.00 O ATOM 109 ND2 ASN A 7 8.279 -16.363 16.287 1.00 0.00 N ATOM 0 H ASN A 7 10.052 -16.619 21.132 1.00 0.00 H new ATOM 0 HA ASN A 7 8.159 -17.381 19.036 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.728 -15.009 18.521 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.436 -15.393 18.602 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.251 -16.662 15.312 1.00 0.00 H new ATOM 0 HD22 ASN A 7 7.412 -16.154 16.781 1.00 0.00 H new ATOM 116 N ASP A 8 9.775 -19.327 19.320 1.00 0.00 N ATOM 117 CA ASP A 8 10.670 -20.463 19.143 1.00 0.00 C ATOM 118 C ASP A 8 10.956 -20.677 17.667 1.00 0.00 C ATOM 119 O ASP A 8 10.412 -19.975 16.814 1.00 0.00 O ATOM 120 CB ASP A 8 10.042 -21.729 19.728 1.00 0.00 C ATOM 121 CG ASP A 8 10.052 -21.658 21.251 1.00 0.00 C ATOM 122 OD1 ASP A 8 10.735 -20.797 21.780 1.00 0.00 O ATOM 123 OD2 ASP A 8 9.379 -22.469 21.866 1.00 0.00 O ATOM 0 H ASP A 8 8.844 -19.568 19.660 1.00 0.00 H new ATOM 0 HA ASP A 8 11.603 -20.252 19.665 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.019 -21.838 19.367 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.594 -22.607 19.393 1.00 0.00 H new ATOM 128 N LYS A 9 11.818 -21.649 17.364 1.00 0.00 N ATOM 129 CA LYS A 9 12.175 -21.942 15.975 1.00 0.00 C ATOM 130 C LYS A 9 11.478 -23.217 15.499 1.00 0.00 C ATOM 131 O LYS A 9 11.164 -24.099 16.301 1.00 0.00 O ATOM 132 CB LYS A 9 13.701 -22.116 15.846 1.00 0.00 C ATOM 133 CG LYS A 9 14.267 -22.652 17.174 1.00 0.00 C ATOM 134 CD LYS A 9 14.567 -21.477 18.138 1.00 0.00 C ATOM 135 CE LYS A 9 16.019 -21.031 17.973 1.00 0.00 C ATOM 136 NZ LYS A 9 16.355 -20.973 16.518 1.00 0.00 N ATOM 0 H LYS A 9 12.278 -22.242 18.055 1.00 0.00 H new ATOM 0 HA LYS A 9 11.850 -21.106 15.355 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.932 -22.806 15.034 1.00 0.00 H new ATOM 0 HB3 LYS A 9 14.167 -21.163 15.597 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.553 -23.336 17.633 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.178 -23.221 16.987 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.895 -20.644 17.931 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.386 -21.784 19.168 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.165 -20.053 18.431 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.685 -21.726 18.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.338 -20.653 16.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.246 -21.918 16.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.715 -20.307 16.040 1.00 0.00 H new ATOM 150 N PRO A 10 11.247 -23.332 14.216 1.00 0.00 N ATOM 151 CA PRO A 10 10.586 -24.527 13.622 1.00 0.00 C ATOM 152 C PRO A 10 11.463 -25.771 13.717 1.00 0.00 C ATOM 153 O PRO A 10 11.437 -26.485 14.718 1.00 0.00 O ATOM 154 CB PRO A 10 10.338 -24.112 12.160 1.00 0.00 C ATOM 155 CG PRO A 10 11.365 -23.061 11.875 1.00 0.00 C ATOM 156 CD PRO A 10 11.584 -22.327 13.192 1.00 0.00 C ATOM 0 HA PRO A 10 9.669 -24.801 14.144 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.445 -24.961 11.485 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.328 -23.724 12.026 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.293 -23.508 11.517 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.020 -22.378 11.099 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.614 -21.984 13.292 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.946 -21.447 13.270 1.00 0.00 H new ATOM 164 N LYS A 11 12.226 -26.019 12.666 1.00 0.00 N ATOM 165 CA LYS A 11 13.107 -27.181 12.613 1.00 0.00 C ATOM 166 C LYS A 11 12.407 -28.415 13.174 1.00 0.00 C ATOM 167 O LYS A 11 11.770 -29.170 12.439 1.00 0.00 O ATOM 168 CB LYS A 11 14.384 -26.904 13.409 1.00 0.00 C ATOM 169 CG LYS A 11 15.318 -28.112 13.315 1.00 0.00 C ATOM 170 CD LYS A 11 16.646 -27.783 13.992 1.00 0.00 C ATOM 171 CE LYS A 11 17.593 -28.977 13.870 1.00 0.00 C ATOM 172 NZ LYS A 11 17.085 -30.105 14.699 1.00 0.00 N ATOM 0 H LYS A 11 12.255 -25.431 11.833 1.00 0.00 H new ATOM 0 HA LYS A 11 13.364 -27.371 11.571 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.882 -26.015 13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.138 -26.701 14.451 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.859 -28.978 13.792 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.485 -28.375 12.271 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.093 -26.903 13.530 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.481 -27.543 15.042 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.673 -29.286 12.828 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.594 -28.695 14.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.848 -30.795 14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.759 -29.742 15.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.293 -30.567 14.209 1.00 0.00 H new ATOM 186 N VAL A 12 12.523 -28.609 14.483 1.00 0.00 N ATOM 187 CA VAL A 12 11.896 -29.747 15.138 1.00 0.00 C ATOM 188 C VAL A 12 10.379 -29.571 15.182 1.00 0.00 C ATOM 189 O VAL A 12 9.700 -30.186 16.002 1.00 0.00 O ATOM 190 CB VAL A 12 12.435 -29.888 16.561 1.00 0.00 C ATOM 191 CG1 VAL A 12 13.960 -29.964 16.524 1.00 0.00 C ATOM 192 CG2 VAL A 12 12.005 -28.677 17.394 1.00 0.00 C ATOM 0 H VAL A 12 13.044 -27.994 15.108 1.00 0.00 H new ATOM 0 HA VAL A 12 12.130 -30.646 14.568 1.00 0.00 H new ATOM 0 HB VAL A 12 12.037 -30.798 17.010 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.344 -30.065 17.539 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.267 -30.827 15.933 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.359 -29.055 16.074 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.390 -28.778 18.409 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.402 -27.767 16.945 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.917 -28.623 17.422 1.00 0.00 H new ATOM 202 N ARG A 13 9.853 -28.731 14.294 1.00 0.00 N ATOM 203 CA ARG A 13 8.416 -28.487 14.242 1.00 0.00 C ATOM 204 C ARG A 13 8.005 -28.014 12.849 1.00 0.00 C ATOM 205 O ARG A 13 8.825 -27.480 12.098 1.00 0.00 O ATOM 206 CB ARG A 13 8.030 -27.439 15.283 1.00 0.00 C ATOM 207 CG ARG A 13 6.508 -27.271 15.302 1.00 0.00 C ATOM 208 CD ARG A 13 6.111 -26.349 16.455 1.00 0.00 C ATOM 209 NE ARG A 13 6.618 -25.002 16.222 1.00 0.00 N ATOM 210 CZ ARG A 13 6.550 -24.070 17.167 1.00 0.00 C ATOM 211 NH1 ARG A 13 6.022 -24.356 18.326 1.00 0.00 N ATOM 212 NH2 ARG A 13 7.006 -22.872 16.935 1.00 0.00 N ATOM 0 H ARG A 13 10.397 -28.211 13.605 1.00 0.00 H new ATOM 0 HA ARG A 13 7.895 -29.419 14.461 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.385 -27.742 16.268 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.508 -26.487 15.051 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.166 -26.854 14.355 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.026 -28.242 15.416 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.026 -26.325 16.553 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.507 -26.737 17.393 1.00 0.00 H new ATOM 0 HE ARG A 13 7.032 -24.771 15.319 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.662 -25.294 18.505 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.969 -23.642 19.052 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.415 -22.649 16.028 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.954 -22.157 17.661 1.00 0.00 H new ATOM 226 N LYS A 14 6.736 -28.210 12.514 1.00 0.00 N ATOM 227 CA LYS A 14 6.223 -27.799 11.213 1.00 0.00 C ATOM 228 C LYS A 14 6.273 -26.288 11.075 1.00 0.00 C ATOM 229 O LYS A 14 5.999 -25.552 12.027 1.00 0.00 O ATOM 230 CB LYS A 14 4.783 -28.272 11.043 1.00 0.00 C ATOM 231 CG LYS A 14 4.749 -29.797 10.970 1.00 0.00 C ATOM 232 CD LYS A 14 3.302 -30.268 10.816 1.00 0.00 C ATOM 233 CE LYS A 14 3.262 -31.798 10.809 1.00 0.00 C ATOM 234 NZ LYS A 14 4.055 -32.308 9.657 1.00 0.00 N ATOM 0 H LYS A 14 6.045 -28.649 13.122 1.00 0.00 H new ATOM 0 HA LYS A 14 6.848 -28.250 10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.175 -27.924 11.878 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.354 -27.845 10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.347 -30.145 10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.188 -30.225 11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.693 -29.881 11.633 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.878 -29.878 9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.666 -32.188 11.744 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.231 -32.146 10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.791 -33.295 9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.860 -31.727 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.069 -32.259 9.884 1.00 0.00 H new ATOM 248 N ILE A 15 6.647 -25.831 9.891 1.00 0.00 N ATOM 249 CA ILE A 15 6.761 -24.404 9.639 1.00 0.00 C ATOM 250 C ILE A 15 5.375 -23.775 9.494 1.00 0.00 C ATOM 251 O ILE A 15 4.395 -24.470 9.216 1.00 0.00 O ATOM 252 CB ILE A 15 7.595 -24.143 8.351 1.00 0.00 C ATOM 253 CG1 ILE A 15 7.536 -25.395 7.446 1.00 0.00 C ATOM 254 CG2 ILE A 15 9.057 -23.826 8.717 1.00 0.00 C ATOM 255 CD1 ILE A 15 8.587 -26.428 7.888 1.00 0.00 C ATOM 0 H ILE A 15 6.876 -26.424 9.093 1.00 0.00 H new ATOM 0 HA ILE A 15 7.270 -23.948 10.488 1.00 0.00 H new ATOM 0 HB ILE A 15 7.179 -23.287 7.819 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.541 -25.837 7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.711 -25.110 6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.629 -23.646 7.807 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.090 -22.938 9.348 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.488 -24.670 9.255 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.532 -27.303 7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.582 -25.988 7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.393 -26.726 8.918 1.00 0.00 H new ATOM 267 N PRO A 16 5.285 -22.478 9.656 1.00 0.00 N ATOM 268 CA PRO A 16 3.990 -21.749 9.519 1.00 0.00 C ATOM 269 C PRO A 16 3.301 -22.040 8.182 1.00 0.00 C ATOM 270 O PRO A 16 3.956 -22.159 7.145 1.00 0.00 O ATOM 271 CB PRO A 16 4.390 -20.265 9.617 1.00 0.00 C ATOM 272 CG PRO A 16 5.696 -20.250 10.344 1.00 0.00 C ATOM 273 CD PRO A 16 6.393 -21.561 10.000 1.00 0.00 C ATOM 0 HA PRO A 16 3.271 -22.052 10.280 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.487 -19.819 8.627 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.636 -19.690 10.154 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.301 -19.396 10.039 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.541 -20.163 11.419 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.083 -21.439 9.165 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.975 -21.936 10.842 1.00 0.00 H new ATOM 281 N SER A 17 1.978 -22.143 8.219 1.00 0.00 N ATOM 282 CA SER A 17 1.203 -22.410 7.014 1.00 0.00 C ATOM 283 C SER A 17 1.044 -21.136 6.189 1.00 0.00 C ATOM 284 O SER A 17 0.350 -21.124 5.173 1.00 0.00 O ATOM 285 CB SER A 17 -0.175 -22.955 7.384 1.00 0.00 C ATOM 286 OG SER A 17 -0.031 -23.956 8.383 1.00 0.00 O ATOM 0 H SER A 17 1.421 -22.046 9.068 1.00 0.00 H new ATOM 0 HA SER A 17 1.736 -23.153 6.420 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.811 -22.149 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.663 -23.372 6.503 1.00 0.00 H new ATOM 0 HG SER A 17 -0.914 -24.307 8.624 1.00 0.00 H new ATOM 292 N THR A 18 1.690 -20.064 6.634 1.00 0.00 N ATOM 293 CA THR A 18 1.620 -18.791 5.928 1.00 0.00 C ATOM 294 C THR A 18 2.757 -17.876 6.363 1.00 0.00 C ATOM 295 O THR A 18 3.266 -17.991 7.475 1.00 0.00 O ATOM 296 CB THR A 18 0.275 -18.122 6.204 1.00 0.00 C ATOM 297 OG1 THR A 18 0.290 -16.797 5.700 1.00 0.00 O ATOM 298 CG2 THR A 18 0.018 -18.096 7.707 1.00 0.00 C ATOM 0 H THR A 18 2.265 -20.051 7.476 1.00 0.00 H new ATOM 0 HA THR A 18 1.717 -18.977 4.858 1.00 0.00 H new ATOM 0 HB THR A 18 -0.517 -18.685 5.711 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.824 -16.765 4.879 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.942 -17.619 7.904 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.001 -19.116 8.091 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.811 -17.535 8.202 1.00 0.00 H new ATOM 306 N ARG A 19 3.149 -16.959 5.478 1.00 0.00 N ATOM 307 CA ARG A 19 4.230 -16.020 5.780 1.00 0.00 C ATOM 308 C ARG A 19 3.663 -14.636 6.065 1.00 0.00 C ATOM 309 O ARG A 19 2.713 -14.196 5.419 1.00 0.00 O ATOM 310 CB ARG A 19 5.195 -15.940 4.598 1.00 0.00 C ATOM 311 CG ARG A 19 5.845 -17.309 4.379 1.00 0.00 C ATOM 312 CD ARG A 19 6.731 -17.257 3.135 1.00 0.00 C ATOM 313 NE ARG A 19 7.861 -16.364 3.358 1.00 0.00 N ATOM 314 CZ ARG A 19 8.677 -16.028 2.363 1.00 0.00 C ATOM 315 NH1 ARG A 19 8.469 -16.496 1.163 1.00 0.00 N ATOM 316 NH2 ARG A 19 9.686 -15.229 2.588 1.00 0.00 N ATOM 0 H ARG A 19 2.737 -16.846 4.552 1.00 0.00 H new ATOM 0 HA ARG A 19 4.763 -16.376 6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.662 -15.630 3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.961 -15.188 4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.439 -17.586 5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.077 -18.074 4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.091 -18.257 2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.150 -16.913 2.280 1.00 0.00 H new ATOM 0 HE ARG A 19 8.029 -15.991 4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.681 -17.119 0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.095 -16.239 0.400 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.848 -14.863 3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.312 -14.971 1.825 1.00 0.00 H new ATOM 330 N LYS A 20 4.247 -13.955 7.042 1.00 0.00 N ATOM 331 CA LYS A 20 3.793 -12.614 7.416 1.00 0.00 C ATOM 332 C LYS A 20 4.775 -11.571 6.914 1.00 0.00 C ATOM 333 O LYS A 20 5.973 -11.826 6.826 1.00 0.00 O ATOM 334 CB LYS A 20 3.674 -12.505 8.935 1.00 0.00 C ATOM 335 CG LYS A 20 2.575 -13.450 9.424 1.00 0.00 C ATOM 336 CD LYS A 20 2.430 -13.321 10.942 1.00 0.00 C ATOM 337 CE LYS A 20 1.273 -14.200 11.421 1.00 0.00 C ATOM 338 NZ LYS A 20 1.618 -15.633 11.212 1.00 0.00 N ATOM 0 H LYS A 20 5.033 -14.304 7.590 1.00 0.00 H new ATOM 0 HA LYS A 20 2.817 -12.439 6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.624 -12.759 9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.441 -11.479 9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.630 -13.210 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.819 -14.478 9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.356 -13.621 11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.247 -12.281 11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.073 -14.013 12.476 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.363 -13.951 10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.975 -16.230 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.523 -15.870 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.598 -15.802 11.516 1.00 0.00 H new ATOM 352 N ILE A 21 4.255 -10.387 6.587 1.00 0.00 N ATOM 353 CA ILE A 21 5.090 -9.295 6.093 1.00 0.00 C ATOM 354 C ILE A 21 4.841 -8.031 6.904 1.00 0.00 C ATOM 355 O ILE A 21 3.693 -7.675 7.191 1.00 0.00 O ATOM 356 CB ILE A 21 4.789 -9.025 4.613 1.00 0.00 C ATOM 357 CG1 ILE A 21 5.748 -7.955 4.072 1.00 0.00 C ATOM 358 CG2 ILE A 21 3.348 -8.540 4.465 1.00 0.00 C ATOM 359 CD1 ILE A 21 7.200 -8.456 4.137 1.00 0.00 C ATOM 0 H ILE A 21 3.263 -10.162 6.656 1.00 0.00 H new ATOM 0 HA ILE A 21 6.135 -9.585 6.198 1.00 0.00 H new ATOM 0 HB ILE A 21 4.924 -9.946 4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.487 -7.710 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.646 -7.039 4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.135 -8.348 3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.667 -9.304 4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.213 -7.621 5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.868 -7.687 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.462 -8.678 5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.300 -9.360 3.536 1.00 0.00 H new ATOM 371 N LYS A 22 5.933 -7.357 7.278 1.00 0.00 N ATOM 372 CA LYS A 22 5.832 -6.126 8.063 1.00 0.00 C ATOM 373 C LYS A 22 6.810 -5.071 7.547 1.00 0.00 C ATOM 374 O LYS A 22 6.514 -3.880 7.556 1.00 0.00 O ATOM 375 CB LYS A 22 6.135 -6.429 9.530 1.00 0.00 C ATOM 376 CG LYS A 22 5.276 -7.605 9.997 1.00 0.00 C ATOM 377 CD LYS A 22 5.587 -7.920 11.460 1.00 0.00 C ATOM 378 CE LYS A 22 4.698 -9.071 11.935 1.00 0.00 C ATOM 379 NZ LYS A 22 5.052 -10.312 11.187 1.00 0.00 N ATOM 0 H LYS A 22 6.887 -7.640 7.052 1.00 0.00 H new ATOM 0 HA LYS A 22 4.819 -5.736 7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.192 -6.666 9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.932 -5.551 10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.219 -7.364 9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.472 -8.480 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.638 -8.189 11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.418 -7.037 12.077 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.829 -9.229 13.006 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.648 -8.824 11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.574 -11.127 11.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.748 -10.219 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.081 -10.456 11.221 1.00 0.00 H new ATOM 393 N ILE A 23 7.976 -5.521 7.096 1.00 0.00 N ATOM 394 CA ILE A 23 9.004 -4.615 6.584 1.00 0.00 C ATOM 395 C ILE A 23 8.783 -4.351 5.101 1.00 0.00 C ATOM 396 O ILE A 23 8.426 -5.250 4.344 1.00 0.00 O ATOM 397 CB ILE A 23 10.405 -5.228 6.808 1.00 0.00 C ATOM 398 CG1 ILE A 23 10.313 -6.772 6.696 1.00 0.00 C ATOM 399 CG2 ILE A 23 10.945 -4.827 8.194 1.00 0.00 C ATOM 400 CD1 ILE A 23 9.968 -7.398 8.062 1.00 0.00 C ATOM 0 H ILE A 23 8.235 -6.507 7.074 1.00 0.00 H new ATOM 0 HA ILE A 23 8.938 -3.669 7.122 1.00 0.00 H new ATOM 0 HB ILE A 23 11.090 -4.851 6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.553 -7.044 5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.261 -7.173 6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.932 -5.265 8.340 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.017 -3.741 8.256 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.269 -5.191 8.967 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.908 -8.482 7.961 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.743 -7.143 8.785 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.009 -7.012 8.407 1.00 0.00 H new ATOM 412 N THR A 24 9.001 -3.103 4.699 1.00 0.00 N ATOM 413 CA THR A 24 8.826 -2.719 3.307 1.00 0.00 C ATOM 414 C THR A 24 9.678 -1.497 2.983 1.00 0.00 C ATOM 415 O THR A 24 9.856 -0.611 3.820 1.00 0.00 O ATOM 416 CB THR A 24 7.354 -2.415 3.035 1.00 0.00 C ATOM 417 OG1 THR A 24 6.555 -3.486 3.521 1.00 0.00 O ATOM 418 CG2 THR A 24 7.136 -2.260 1.530 1.00 0.00 C ATOM 0 H THR A 24 9.297 -2.346 5.315 1.00 0.00 H new ATOM 0 HA THR A 24 9.145 -3.545 2.672 1.00 0.00 H new ATOM 0 HB THR A 24 7.073 -1.491 3.540 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.086 -4.309 3.537 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.086 -2.043 1.335 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.751 -1.442 1.156 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.415 -3.185 1.025 1.00 0.00 H new ATOM 426 N PHE A 25 10.200 -1.454 1.763 1.00 0.00 N ATOM 427 CA PHE A 25 11.033 -0.337 1.336 1.00 0.00 C ATOM 428 C PHE A 25 10.271 0.978 1.473 1.00 0.00 C ATOM 429 O PHE A 25 9.087 1.059 1.138 1.00 0.00 O ATOM 430 CB PHE A 25 11.461 -0.528 -0.119 1.00 0.00 C ATOM 431 CG PHE A 25 12.250 0.679 -0.577 1.00 0.00 C ATOM 432 CD1 PHE A 25 13.570 0.855 -0.147 1.00 0.00 C ATOM 433 CD2 PHE A 25 11.660 1.620 -1.428 1.00 0.00 C ATOM 434 CE1 PHE A 25 14.300 1.971 -0.568 1.00 0.00 C ATOM 435 CE2 PHE A 25 12.387 2.736 -1.852 1.00 0.00 C ATOM 436 CZ PHE A 25 13.709 2.912 -1.422 1.00 0.00 C ATOM 0 H PHE A 25 10.062 -2.176 1.055 1.00 0.00 H new ATOM 0 HA PHE A 25 11.917 -0.304 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.066 -1.429 -0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 25 10.584 -0.664 -0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 25 14.025 0.129 0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.641 1.484 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.318 2.108 -0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.931 3.461 -2.510 1.00 0.00 H new ATOM 0 HZ PHE A 25 14.273 3.773 -1.749 1.00 0.00 H new ATOM 446 N ALA A 26 10.955 2.004 1.967 1.00 0.00 N ATOM 447 CA ALA A 26 10.333 3.312 2.147 1.00 0.00 C ATOM 448 C ALA A 26 10.377 4.110 0.848 1.00 0.00 C ATOM 449 O ALA A 26 11.453 4.445 0.348 1.00 0.00 O ATOM 450 CB ALA A 26 11.062 4.090 3.248 1.00 0.00 C ATOM 0 H ALA A 26 11.934 1.957 2.249 1.00 0.00 H new ATOM 0 HA ALA A 26 9.292 3.161 2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.592 5.065 3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.006 3.534 4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.107 4.225 2.968 1.00 0.00 H new ATOM 456 N LEU A 27 9.203 4.405 0.301 1.00 0.00 N ATOM 457 CA LEU A 27 9.119 5.157 -0.947 1.00 0.00 C ATOM 458 C LEU A 27 9.723 6.545 -0.774 1.00 0.00 C ATOM 459 O LEU A 27 10.454 7.024 -1.637 1.00 0.00 O ATOM 460 CB LEU A 27 7.655 5.290 -1.371 1.00 0.00 C ATOM 461 CG LEU A 27 6.993 3.908 -1.380 1.00 0.00 C ATOM 462 CD1 LEU A 27 5.509 4.056 -1.739 1.00 0.00 C ATOM 463 CD2 LEU A 27 7.683 3.005 -2.412 1.00 0.00 C ATOM 0 H LEU A 27 8.302 4.138 0.698 1.00 0.00 H new ATOM 0 HA LEU A 27 9.677 4.621 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.127 5.953 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.593 5.740 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 27 7.087 3.458 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.037 3.074 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.018 4.690 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.417 4.510 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.207 2.024 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.596 3.452 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.737 2.897 -2.154 1.00 0.00 H new ATOM 475 N ASP A 28 9.414 7.183 0.348 1.00 0.00 N ATOM 476 CA ASP A 28 9.936 8.517 0.624 1.00 0.00 C ATOM 477 C ASP A 28 9.891 8.811 2.116 1.00 0.00 C ATOM 478 O ASP A 28 9.917 9.970 2.526 1.00 0.00 O ATOM 479 CB ASP A 28 9.119 9.565 -0.134 1.00 0.00 C ATOM 480 CG ASP A 28 9.460 9.514 -1.621 1.00 0.00 C ATOM 481 OD1 ASP A 28 10.631 9.371 -1.934 1.00 0.00 O ATOM 482 OD2 ASP A 28 8.546 9.615 -2.422 1.00 0.00 O ATOM 0 H ASP A 28 8.810 6.803 1.077 1.00 0.00 H new ATOM 0 HA ASP A 28 10.973 8.558 0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.054 9.383 0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.329 10.559 0.262 1.00 0.00 H new ATOM 487 N ALA A 29 9.826 7.758 2.922 1.00 0.00 N ATOM 488 CA ALA A 29 9.777 7.915 4.371 1.00 0.00 C ATOM 489 C ALA A 29 8.403 8.415 4.819 1.00 0.00 C ATOM 490 O ALA A 29 7.778 7.834 5.708 1.00 0.00 O ATOM 491 CB ALA A 29 10.862 8.907 4.825 1.00 0.00 C ATOM 0 H ALA A 29 9.806 6.791 2.599 1.00 0.00 H new ATOM 0 HA ALA A 29 9.957 6.942 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.821 9.021 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.843 8.530 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.692 9.874 4.352 1.00 0.00 H new ATOM 497 N THR A 30 7.944 9.501 4.205 1.00 0.00 N ATOM 498 CA THR A 30 6.654 10.072 4.569 1.00 0.00 C ATOM 499 C THR A 30 5.526 9.067 4.315 1.00 0.00 C ATOM 500 O THR A 30 4.739 8.739 5.218 1.00 0.00 O ATOM 501 CB THR A 30 6.406 11.336 3.731 1.00 0.00 C ATOM 502 OG1 THR A 30 7.559 12.171 3.777 1.00 0.00 O ATOM 503 CG2 THR A 30 5.206 12.094 4.293 1.00 0.00 C ATOM 0 H THR A 30 8.439 9.997 3.463 1.00 0.00 H new ATOM 0 HA THR A 30 6.668 10.321 5.630 1.00 0.00 H new ATOM 0 HB THR A 30 6.204 11.052 2.698 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.401 12.976 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.031 12.990 3.698 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.323 11.456 4.257 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.406 12.378 5.326 1.00 0.00 H new ATOM 511 N PHE A 31 5.469 8.552 3.096 1.00 0.00 N ATOM 512 CA PHE A 31 4.448 7.578 2.743 1.00 0.00 C ATOM 513 C PHE A 31 4.738 6.250 3.430 1.00 0.00 C ATOM 514 O PHE A 31 3.827 5.473 3.706 1.00 0.00 O ATOM 515 CB PHE A 31 4.401 7.385 1.223 1.00 0.00 C ATOM 516 CG PHE A 31 4.532 8.730 0.538 1.00 0.00 C ATOM 517 CD1 PHE A 31 3.664 9.778 0.875 1.00 0.00 C ATOM 518 CD2 PHE A 31 5.521 8.931 -0.434 1.00 0.00 C ATOM 519 CE1 PHE A 31 3.787 11.019 0.243 1.00 0.00 C ATOM 520 CE2 PHE A 31 5.643 10.174 -1.064 1.00 0.00 C ATOM 521 CZ PHE A 31 4.776 11.217 -0.724 1.00 0.00 C ATOM 0 H PHE A 31 6.112 8.790 2.341 1.00 0.00 H new ATOM 0 HA PHE A 31 3.479 7.947 3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.206 6.723 0.905 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.464 6.908 0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.900 9.627 1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.190 8.125 -0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.117 11.825 0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.406 10.328 -1.812 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.871 12.177 -1.210 1.00 0.00 H new ATOM 531 N ASP A 32 6.010 5.999 3.711 1.00 0.00 N ATOM 532 CA ASP A 32 6.402 4.759 4.366 1.00 0.00 C ATOM 533 C ASP A 32 5.740 4.653 5.734 1.00 0.00 C ATOM 534 O ASP A 32 5.218 3.601 6.103 1.00 0.00 O ATOM 535 CB ASP A 32 7.921 4.708 4.519 1.00 0.00 C ATOM 536 CG ASP A 32 8.358 3.303 4.917 1.00 0.00 C ATOM 537 OD1 ASP A 32 7.910 2.361 4.284 1.00 0.00 O ATOM 538 OD2 ASP A 32 9.135 3.187 5.852 1.00 0.00 O ATOM 0 H ASP A 32 6.781 6.631 3.498 1.00 0.00 H new ATOM 0 HA ASP A 32 6.076 3.920 3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.399 4.995 3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.243 5.425 5.274 1.00 0.00 H new ATOM 543 N SER A 33 5.759 5.754 6.481 1.00 0.00 N ATOM 544 CA SER A 33 5.146 5.771 7.802 1.00 0.00 C ATOM 545 C SER A 33 3.627 5.708 7.681 1.00 0.00 C ATOM 546 O SER A 33 2.965 4.990 8.430 1.00 0.00 O ATOM 547 CB SER A 33 5.545 7.045 8.549 1.00 0.00 C ATOM 548 OG SER A 33 5.144 8.176 7.786 1.00 0.00 O ATOM 0 H SER A 33 6.187 6.635 6.197 1.00 0.00 H new ATOM 0 HA SER A 33 5.497 4.901 8.358 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.074 7.068 9.532 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.623 7.064 8.712 1.00 0.00 H new ATOM 0 HG SER A 33 5.156 7.948 6.833 1.00 0.00 H new ATOM 554 N VAL A 34 3.076 6.461 6.727 1.00 0.00 N ATOM 555 CA VAL A 34 1.626 6.472 6.539 1.00 0.00 C ATOM 556 C VAL A 34 1.126 5.074 6.168 1.00 0.00 C ATOM 557 O VAL A 34 0.171 4.559 6.761 1.00 0.00 O ATOM 558 CB VAL A 34 1.265 7.460 5.428 1.00 0.00 C ATOM 559 CG1 VAL A 34 -0.237 7.399 5.152 1.00 0.00 C ATOM 560 CG2 VAL A 34 1.648 8.876 5.863 1.00 0.00 C ATOM 0 H VAL A 34 3.599 7.058 6.086 1.00 0.00 H new ATOM 0 HA VAL A 34 1.150 6.777 7.471 1.00 0.00 H new ATOM 0 HB VAL A 34 1.808 7.198 4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.490 8.104 4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.509 6.390 4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.784 7.659 6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.392 9.581 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.106 9.137 6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.720 8.920 6.055 1.00 0.00 H new ATOM 570 N LEU A 35 1.781 4.457 5.195 1.00 0.00 N ATOM 571 CA LEU A 35 1.401 3.118 4.766 1.00 0.00 C ATOM 572 C LEU A 35 1.616 2.118 5.890 1.00 0.00 C ATOM 573 O LEU A 35 0.795 1.229 6.102 1.00 0.00 O ATOM 574 CB LEU A 35 2.212 2.706 3.514 1.00 0.00 C ATOM 575 CG LEU A 35 1.472 3.108 2.233 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.404 4.632 2.110 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.204 2.529 1.025 1.00 0.00 C ATOM 0 H LEU A 35 2.572 4.858 4.691 1.00 0.00 H new ATOM 0 HA LEU A 35 0.342 3.124 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.193 3.181 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.379 1.629 3.521 1.00 0.00 H new ATOM 0 HG LEU A 35 0.456 2.716 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.875 4.900 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.874 5.043 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.414 5.040 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.681 2.813 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.222 2.918 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.233 1.442 1.104 1.00 0.00 H new ATOM 589 N SER A 36 2.719 2.271 6.603 1.00 0.00 N ATOM 590 CA SER A 36 3.027 1.365 7.698 1.00 0.00 C ATOM 591 C SER A 36 1.883 1.349 8.703 1.00 0.00 C ATOM 592 O SER A 36 1.478 0.292 9.177 1.00 0.00 O ATOM 593 CB SER A 36 4.318 1.807 8.387 1.00 0.00 C ATOM 594 OG SER A 36 5.406 1.664 7.483 1.00 0.00 O ATOM 0 H SER A 36 3.410 3.005 6.447 1.00 0.00 H new ATOM 0 HA SER A 36 3.159 0.359 7.299 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.234 2.844 8.711 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.491 1.207 9.280 1.00 0.00 H new ATOM 0 HG SER A 36 5.628 2.537 7.097 1.00 0.00 H new ATOM 600 N LYS A 37 1.360 2.529 9.015 1.00 0.00 N ATOM 601 CA LYS A 37 0.246 2.634 9.954 1.00 0.00 C ATOM 602 C LYS A 37 -1.008 1.989 9.370 1.00 0.00 C ATOM 603 O LYS A 37 -1.767 1.326 10.079 1.00 0.00 O ATOM 604 CB LYS A 37 -0.026 4.100 10.275 1.00 0.00 C ATOM 605 CG LYS A 37 1.138 4.666 11.089 1.00 0.00 C ATOM 606 CD LYS A 37 0.899 6.153 11.352 1.00 0.00 C ATOM 607 CE LYS A 37 2.067 6.723 12.155 1.00 0.00 C ATOM 608 NZ LYS A 37 1.854 8.182 12.373 1.00 0.00 N ATOM 0 H LYS A 37 1.684 3.419 8.637 1.00 0.00 H new ATOM 0 HA LYS A 37 0.513 2.109 10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.150 4.669 9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.956 4.195 10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.231 4.129 12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.075 4.527 10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.797 6.688 10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.034 6.291 11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.149 6.209 13.113 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.004 6.557 11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.649 8.571 12.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.796 8.666 11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.968 8.329 12.898 1.00 0.00 H new ATOM 622 N ALA A 38 -1.225 2.201 8.076 1.00 0.00 N ATOM 623 CA ALA A 38 -2.398 1.644 7.404 1.00 0.00 C ATOM 624 C ALA A 38 -2.194 0.166 7.092 1.00 0.00 C ATOM 625 O ALA A 38 -3.058 -0.469 6.484 1.00 0.00 O ATOM 626 CB ALA A 38 -2.668 2.405 6.107 1.00 0.00 C ATOM 0 H ALA A 38 -0.611 2.750 7.474 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.253 1.746 8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.543 1.983 5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.850 3.456 6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.804 2.320 5.448 1.00 0.00 H new ATOM 632 N CYS A 39 -1.054 -0.377 7.513 1.00 0.00 N ATOM 633 CA CYS A 39 -0.748 -1.784 7.273 1.00 0.00 C ATOM 634 C CYS A 39 0.554 -2.172 7.979 1.00 0.00 C ATOM 635 O CYS A 39 1.485 -2.684 7.359 1.00 0.00 O ATOM 636 CB CYS A 39 -0.613 -2.040 5.769 1.00 0.00 C ATOM 637 SG CYS A 39 0.911 -1.290 5.148 1.00 0.00 S ATOM 0 H CYS A 39 -0.331 0.133 8.019 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.562 -2.390 7.671 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.606 -3.112 5.573 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.473 -1.625 5.243 1.00 0.00 H new ATOM 0 HG CYS A 39 1.009 -0.073 5.595 1.00 0.00 H new ATOM 643 N SER A 40 0.615 -1.923 9.283 1.00 0.00 N ATOM 644 CA SER A 40 1.813 -2.240 10.052 1.00 0.00 C ATOM 645 C SER A 40 2.118 -3.727 9.985 1.00 0.00 C ATOM 646 O SER A 40 3.278 -4.131 9.925 1.00 0.00 O ATOM 647 CB SER A 40 1.621 -1.826 11.510 1.00 0.00 C ATOM 648 OG SER A 40 0.498 -2.511 12.047 1.00 0.00 O ATOM 0 H SER A 40 -0.142 -1.507 9.825 1.00 0.00 H new ATOM 0 HA SER A 40 2.650 -1.690 9.622 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.515 -2.060 12.088 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.471 -0.748 11.578 1.00 0.00 H new ATOM 0 HG SER A 40 0.372 -2.250 12.983 1.00 0.00 H new ATOM 654 N GLU A 41 1.068 -4.543 9.989 1.00 0.00 N ATOM 655 CA GLU A 41 1.232 -5.994 9.921 1.00 0.00 C ATOM 656 C GLU A 41 0.230 -6.596 8.954 1.00 0.00 C ATOM 657 O GLU A 41 -0.974 -6.372 9.080 1.00 0.00 O ATOM 658 CB GLU A 41 1.035 -6.605 11.309 1.00 0.00 C ATOM 659 CG GLU A 41 2.186 -6.173 12.220 1.00 0.00 C ATOM 660 CD GLU A 41 1.970 -6.723 13.627 1.00 0.00 C ATOM 661 OE1 GLU A 41 0.967 -7.384 13.835 1.00 0.00 O ATOM 662 OE2 GLU A 41 2.812 -6.475 14.473 1.00 0.00 O ATOM 0 H GLU A 41 0.099 -4.228 10.038 1.00 0.00 H new ATOM 0 HA GLU A 41 2.239 -6.213 9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.083 -6.282 11.729 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.000 -7.692 11.239 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.133 -6.535 11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.248 -5.085 12.251 1.00 0.00 H new ATOM 669 N PHE A 42 0.731 -7.361 7.981 1.00 0.00 N ATOM 670 CA PHE A 42 -0.139 -7.993 6.989 1.00 0.00 C ATOM 671 C PHE A 42 0.180 -9.477 6.869 1.00 0.00 C ATOM 672 O PHE A 42 1.340 -9.866 6.750 1.00 0.00 O ATOM 673 CB PHE A 42 0.049 -7.310 5.626 1.00 0.00 C ATOM 674 CG PHE A 42 -1.151 -7.583 4.752 1.00 0.00 C ATOM 675 CD1 PHE A 42 -1.328 -8.850 4.182 1.00 0.00 C ATOM 676 CD2 PHE A 42 -2.091 -6.574 4.519 1.00 0.00 C ATOM 677 CE1 PHE A 42 -2.446 -9.107 3.380 1.00 0.00 C ATOM 678 CE2 PHE A 42 -3.208 -6.831 3.719 1.00 0.00 C ATOM 679 CZ PHE A 42 -3.386 -8.097 3.148 1.00 0.00 C ATOM 0 H PHE A 42 1.725 -7.556 7.860 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.175 -7.883 7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.176 -6.236 5.761 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.954 -7.680 5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.602 -9.629 4.361 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.954 -5.596 4.957 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.583 -10.084 2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.935 -6.052 3.541 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.249 -8.294 2.529 1.00 0.00 H new ATOM 689 N GLU A 43 -0.856 -10.307 6.910 1.00 0.00 N ATOM 690 CA GLU A 43 -0.674 -11.750 6.804 1.00 0.00 C ATOM 691 C GLU A 43 -0.772 -12.185 5.350 1.00 0.00 C ATOM 692 O GLU A 43 -1.751 -11.875 4.669 1.00 0.00 O ATOM 693 CB GLU A 43 -1.740 -12.474 7.627 1.00 0.00 C ATOM 694 CG GLU A 43 -1.485 -13.982 7.580 1.00 0.00 C ATOM 695 CD GLU A 43 -2.475 -14.706 8.481 1.00 0.00 C ATOM 696 OE1 GLU A 43 -3.109 -14.041 9.284 1.00 0.00 O ATOM 697 OE2 GLU A 43 -2.582 -15.915 8.359 1.00 0.00 O ATOM 0 H GLU A 43 -1.825 -10.008 7.015 1.00 0.00 H new ATOM 0 HA GLU A 43 0.313 -12.006 7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.719 -12.123 8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.732 -12.250 7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.581 -14.344 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.465 -14.197 7.900 1.00 0.00 H new ATOM 704 N VAL A 44 0.244 -12.905 4.874 1.00 0.00 N ATOM 705 CA VAL A 44 0.264 -13.381 3.488 1.00 0.00 C ATOM 706 C VAL A 44 0.393 -14.902 3.457 1.00 0.00 C ATOM 707 O VAL A 44 1.303 -15.475 4.054 1.00 0.00 O ATOM 708 CB VAL A 44 1.443 -12.754 2.744 1.00 0.00 C ATOM 709 CG1 VAL A 44 1.408 -13.194 1.285 1.00 0.00 C ATOM 710 CG2 VAL A 44 1.341 -11.227 2.822 1.00 0.00 C ATOM 0 H VAL A 44 1.061 -13.171 5.424 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.668 -13.092 3.002 1.00 0.00 H new ATOM 0 HB VAL A 44 2.379 -13.078 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.247 -12.749 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.478 -14.280 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.473 -12.868 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.181 -10.779 2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.407 -10.901 2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.362 -10.914 3.866 1.00 0.00 H new ATOM 720 N ASP A 45 -0.529 -15.548 2.755 1.00 0.00 N ATOM 721 CA ASP A 45 -0.517 -17.003 2.658 1.00 0.00 C ATOM 722 C ASP A 45 0.879 -17.497 2.290 1.00 0.00 C ATOM 723 O ASP A 45 1.709 -16.736 1.794 1.00 0.00 O ATOM 724 CB ASP A 45 -1.524 -17.460 1.595 1.00 0.00 C ATOM 725 CG ASP A 45 -2.946 -17.301 2.121 1.00 0.00 C ATOM 726 OD1 ASP A 45 -3.105 -16.686 3.160 1.00 0.00 O ATOM 727 OD2 ASP A 45 -3.855 -17.791 1.470 1.00 0.00 O ATOM 0 H ASP A 45 -1.288 -15.093 2.248 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.796 -17.422 3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.396 -16.873 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.339 -18.501 1.331 1.00 0.00 H new ATOM 732 N LYS A 46 1.133 -18.773 2.549 1.00 0.00 N ATOM 733 CA LYS A 46 2.434 -19.358 2.249 1.00 0.00 C ATOM 734 C LYS A 46 2.752 -19.252 0.761 1.00 0.00 C ATOM 735 O LYS A 46 3.833 -18.806 0.380 1.00 0.00 O ATOM 736 CB LYS A 46 2.443 -20.831 2.676 1.00 0.00 C ATOM 737 CG LYS A 46 1.230 -21.561 2.077 1.00 0.00 C ATOM 738 CD LYS A 46 1.127 -22.961 2.674 1.00 0.00 C ATOM 739 CE LYS A 46 -0.036 -23.700 2.012 1.00 0.00 C ATOM 740 NZ LYS A 46 -1.306 -22.960 2.262 1.00 0.00 N ATOM 0 H LYS A 46 0.461 -19.419 2.963 1.00 0.00 H new ATOM 0 HA LYS A 46 3.196 -18.808 2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.365 -21.308 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.420 -20.903 3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.318 -21.000 2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.330 -21.624 0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.058 -23.506 2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.970 -22.900 3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.140 -23.789 0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.109 -24.713 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.114 -23.595 2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.320 -22.616 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.371 -22.152 1.611 1.00 0.00 H new ATOM 754 N ASP A 47 1.808 -19.671 -0.076 1.00 0.00 N ATOM 755 CA ASP A 47 1.996 -19.635 -1.521 1.00 0.00 C ATOM 756 C ASP A 47 1.482 -18.329 -2.098 1.00 0.00 C ATOM 757 O ASP A 47 0.313 -18.219 -2.469 1.00 0.00 O ATOM 758 CB ASP A 47 1.255 -20.804 -2.171 1.00 0.00 C ATOM 759 CG ASP A 47 1.697 -20.953 -3.622 1.00 0.00 C ATOM 760 OD1 ASP A 47 2.380 -20.063 -4.104 1.00 0.00 O ATOM 761 OD2 ASP A 47 1.351 -21.952 -4.227 1.00 0.00 O ATOM 0 H ASP A 47 0.905 -20.039 0.222 1.00 0.00 H new ATOM 0 HA ASP A 47 3.063 -19.715 -1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.457 -21.724 -1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.179 -20.635 -2.124 1.00 0.00 H new ATOM 766 N VAL A 48 2.362 -17.343 -2.173 1.00 0.00 N ATOM 767 CA VAL A 48 1.995 -16.038 -2.721 1.00 0.00 C ATOM 768 C VAL A 48 3.189 -15.405 -3.420 1.00 0.00 C ATOM 769 O VAL A 48 4.268 -15.292 -2.841 1.00 0.00 O ATOM 770 CB VAL A 48 1.506 -15.116 -1.602 1.00 0.00 C ATOM 771 CG1 VAL A 48 1.019 -13.788 -2.193 1.00 0.00 C ATOM 772 CG2 VAL A 48 0.344 -15.785 -0.866 1.00 0.00 C ATOM 0 H VAL A 48 3.331 -17.416 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 48 1.193 -16.179 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 48 2.329 -14.928 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.673 -13.138 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.838 -13.304 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.199 -13.977 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.006 -15.130 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.470 -15.972 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.680 -16.730 -0.439 1.00 0.00 H new ATOM 782 N THR A 49 2.988 -14.980 -4.663 1.00 0.00 N ATOM 783 CA THR A 49 4.059 -14.346 -5.431 1.00 0.00 C ATOM 784 C THR A 49 4.040 -12.834 -5.215 1.00 0.00 C ATOM 785 O THR A 49 2.991 -12.247 -4.944 1.00 0.00 O ATOM 786 CB THR A 49 3.880 -14.653 -6.919 1.00 0.00 C ATOM 787 OG1 THR A 49 2.729 -13.980 -7.410 1.00 0.00 O ATOM 788 CG2 THR A 49 3.714 -16.161 -7.112 1.00 0.00 C ATOM 0 H THR A 49 2.101 -15.061 -5.159 1.00 0.00 H new ATOM 0 HA THR A 49 5.016 -14.741 -5.091 1.00 0.00 H new ATOM 0 HB THR A 49 4.758 -14.312 -7.468 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.617 -14.176 -8.364 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.586 -16.380 -8.172 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.600 -16.675 -6.739 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.837 -16.504 -6.563 1.00 0.00 H new ATOM 796 N LEU A 50 5.206 -12.213 -5.334 1.00 0.00 N ATOM 797 CA LEU A 50 5.308 -10.773 -5.145 1.00 0.00 C ATOM 798 C LEU A 50 4.231 -10.054 -5.951 1.00 0.00 C ATOM 799 O LEU A 50 3.737 -9.011 -5.538 1.00 0.00 O ATOM 800 CB LEU A 50 6.686 -10.281 -5.594 1.00 0.00 C ATOM 801 CG LEU A 50 7.083 -10.979 -6.932 1.00 0.00 C ATOM 802 CD1 LEU A 50 7.708 -9.964 -7.892 1.00 0.00 C ATOM 803 CD2 LEU A 50 8.092 -12.107 -6.658 1.00 0.00 C ATOM 0 H LEU A 50 6.086 -12.678 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 50 5.170 -10.555 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.671 -9.199 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.428 -10.497 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 50 6.184 -11.397 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.981 -10.463 -8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.989 -9.172 -8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.600 -9.533 -7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.363 -12.589 -7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.985 -11.691 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.643 -12.842 -5.990 1.00 0.00 H new ATOM 815 N ASP A 51 3.877 -10.615 -7.102 1.00 0.00 N ATOM 816 CA ASP A 51 2.856 -10.000 -7.947 1.00 0.00 C ATOM 817 C ASP A 51 1.531 -9.896 -7.188 1.00 0.00 C ATOM 818 O ASP A 51 0.923 -8.820 -7.103 1.00 0.00 O ATOM 819 CB ASP A 51 2.655 -10.849 -9.208 1.00 0.00 C ATOM 820 CG ASP A 51 3.853 -10.691 -10.140 1.00 0.00 C ATOM 821 OD1 ASP A 51 4.662 -9.816 -9.889 1.00 0.00 O ATOM 822 OD2 ASP A 51 3.940 -11.448 -11.096 1.00 0.00 O ATOM 0 H ASP A 51 4.273 -11.480 -7.468 1.00 0.00 H new ATOM 0 HA ASP A 51 3.185 -8.999 -8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.532 -11.897 -8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.743 -10.544 -9.720 1.00 0.00 H new ATOM 827 N GLU A 52 1.101 -11.015 -6.614 1.00 0.00 N ATOM 828 CA GLU A 52 -0.138 -11.032 -5.862 1.00 0.00 C ATOM 829 C GLU A 52 0.000 -10.144 -4.649 1.00 0.00 C ATOM 830 O GLU A 52 -0.917 -9.406 -4.298 1.00 0.00 O ATOM 831 CB GLU A 52 -0.472 -12.461 -5.422 1.00 0.00 C ATOM 832 CG GLU A 52 -1.812 -12.478 -4.675 1.00 0.00 C ATOM 833 CD GLU A 52 -2.183 -13.907 -4.299 1.00 0.00 C ATOM 834 OE1 GLU A 52 -1.565 -14.819 -4.826 1.00 0.00 O ATOM 835 OE2 GLU A 52 -3.082 -14.074 -3.491 1.00 0.00 O ATOM 0 H GLU A 52 1.589 -11.910 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.945 -10.663 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.522 -13.116 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.318 -12.846 -4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.745 -11.863 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.592 -12.044 -5.301 1.00 0.00 H new ATOM 842 N LEU A 53 1.148 -10.221 -3.997 1.00 0.00 N ATOM 843 CA LEU A 53 1.344 -9.420 -2.817 1.00 0.00 C ATOM 844 C LEU A 53 1.260 -7.935 -3.163 1.00 0.00 C ATOM 845 O LEU A 53 0.529 -7.181 -2.533 1.00 0.00 O ATOM 846 CB LEU A 53 2.718 -9.731 -2.185 1.00 0.00 C ATOM 847 CG LEU A 53 2.993 -8.833 -0.950 1.00 0.00 C ATOM 848 CD1 LEU A 53 3.398 -7.391 -1.379 1.00 0.00 C ATOM 849 CD2 LEU A 53 1.746 -8.790 -0.038 1.00 0.00 C ATOM 0 H LEU A 53 1.934 -10.815 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 53 0.558 -9.661 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.754 -10.779 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.503 -9.582 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 53 3.827 -9.264 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.584 -6.786 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.302 -7.432 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.591 -6.944 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.949 -8.157 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.902 -8.384 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.507 -9.799 0.299 1.00 0.00 H new ATOM 861 N LEU A 54 2.009 -7.529 -4.176 1.00 0.00 N ATOM 862 CA LEU A 54 2.021 -6.135 -4.587 1.00 0.00 C ATOM 863 C LEU A 54 0.590 -5.646 -4.775 1.00 0.00 C ATOM 864 O LEU A 54 0.242 -4.523 -4.393 1.00 0.00 O ATOM 865 CB LEU A 54 2.798 -5.988 -5.898 1.00 0.00 C ATOM 866 CG LEU A 54 2.760 -4.529 -6.378 1.00 0.00 C ATOM 867 CD1 LEU A 54 3.379 -3.608 -5.310 1.00 0.00 C ATOM 868 CD2 LEU A 54 3.543 -4.408 -7.687 1.00 0.00 C ATOM 0 H LEU A 54 2.613 -8.141 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 54 2.507 -5.536 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.831 -6.304 -5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.368 -6.640 -6.659 1.00 0.00 H new ATOM 0 HG LEU A 54 1.725 -4.229 -6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.348 -2.575 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.813 -3.695 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.414 -3.901 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.519 -3.374 -8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.577 -4.711 -7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.092 -5.052 -8.442 1.00 0.00 H new ATOM 880 N ASP A 55 -0.233 -6.486 -5.377 1.00 0.00 N ATOM 881 CA ASP A 55 -1.625 -6.124 -5.608 1.00 0.00 C ATOM 882 C ASP A 55 -2.407 -6.109 -4.294 1.00 0.00 C ATOM 883 O ASP A 55 -3.307 -5.290 -4.102 1.00 0.00 O ATOM 884 CB ASP A 55 -2.266 -7.108 -6.579 1.00 0.00 C ATOM 885 CG ASP A 55 -1.714 -6.892 -7.982 1.00 0.00 C ATOM 886 OD1 ASP A 55 -1.046 -5.891 -8.185 1.00 0.00 O ATOM 887 OD2 ASP A 55 -1.966 -7.728 -8.834 1.00 0.00 O ATOM 0 H ASP A 55 0.031 -7.413 -5.712 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.652 -5.123 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.070 -8.130 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.348 -6.977 -6.581 1.00 0.00 H new ATOM 892 N VAL A 56 -2.066 -7.030 -3.399 1.00 0.00 N ATOM 893 CA VAL A 56 -2.750 -7.120 -2.113 1.00 0.00 C ATOM 894 C VAL A 56 -2.408 -5.927 -1.222 1.00 0.00 C ATOM 895 O VAL A 56 -3.299 -5.264 -0.690 1.00 0.00 O ATOM 896 CB VAL A 56 -2.350 -8.423 -1.402 1.00 0.00 C ATOM 897 CG1 VAL A 56 -2.811 -8.389 0.062 1.00 0.00 C ATOM 898 CG2 VAL A 56 -2.996 -9.621 -2.116 1.00 0.00 C ATOM 0 H VAL A 56 -1.327 -7.719 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.824 -7.114 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.265 -8.523 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.522 -9.317 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.344 -7.546 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.895 -8.280 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.711 -10.543 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.081 -9.516 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.655 -9.655 -3.151 1.00 0.00 H new ATOM 908 N VAL A 57 -1.117 -5.669 -1.056 1.00 0.00 N ATOM 909 CA VAL A 57 -0.677 -4.569 -0.218 1.00 0.00 C ATOM 910 C VAL A 57 -1.198 -3.253 -0.775 1.00 0.00 C ATOM 911 O VAL A 57 -1.663 -2.393 -0.025 1.00 0.00 O ATOM 912 CB VAL A 57 0.855 -4.531 -0.157 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.413 -4.248 -1.550 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.303 -3.431 0.803 1.00 0.00 C ATOM 0 H VAL A 57 -0.364 -6.204 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.070 -4.716 0.788 1.00 0.00 H new ATOM 0 HB VAL A 57 1.226 -5.493 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.502 -4.221 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.096 -5.034 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.040 -3.287 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.392 -3.406 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.931 -2.468 0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.906 -3.633 1.798 1.00 0.00 H new ATOM 924 N LEU A 58 -1.124 -3.097 -2.096 1.00 0.00 N ATOM 925 CA LEU A 58 -1.596 -1.868 -2.709 1.00 0.00 C ATOM 926 C LEU A 58 -3.082 -1.668 -2.418 1.00 0.00 C ATOM 927 O LEU A 58 -3.487 -0.627 -1.903 1.00 0.00 O ATOM 928 CB LEU A 58 -1.378 -1.942 -4.227 1.00 0.00 C ATOM 929 CG LEU A 58 -1.922 -0.676 -4.903 1.00 0.00 C ATOM 930 CD1 LEU A 58 -1.229 0.567 -4.317 1.00 0.00 C ATOM 931 CD2 LEU A 58 -1.662 -0.754 -6.411 1.00 0.00 C ATOM 0 H LEU A 58 -0.751 -3.790 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.039 -1.027 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.315 -2.051 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.878 -2.822 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.995 -0.601 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.619 1.463 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.422 0.620 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.155 0.500 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.047 0.144 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.590 -0.831 -6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.163 -1.630 -6.822 1.00 0.00 H new ATOM 943 N ASP A 59 -3.884 -2.671 -2.754 1.00 0.00 N ATOM 944 CA ASP A 59 -5.321 -2.587 -2.531 1.00 0.00 C ATOM 945 C ASP A 59 -5.600 -2.246 -1.072 1.00 0.00 C ATOM 946 O ASP A 59 -6.472 -1.433 -0.769 1.00 0.00 O ATOM 947 CB ASP A 59 -5.983 -3.918 -2.883 1.00 0.00 C ATOM 948 CG ASP A 59 -7.482 -3.843 -2.622 1.00 0.00 C ATOM 949 OD1 ASP A 59 -7.930 -2.819 -2.134 1.00 0.00 O ATOM 950 OD2 ASP A 59 -8.163 -4.816 -2.911 1.00 0.00 O ATOM 0 H ASP A 59 -3.568 -3.543 -3.178 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.732 -1.804 -3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.800 -4.158 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.543 -4.720 -2.290 1.00 0.00 H new ATOM 955 N ALA A 60 -4.848 -2.873 -0.175 1.00 0.00 N ATOM 956 CA ALA A 60 -5.017 -2.628 1.254 1.00 0.00 C ATOM 957 C ALA A 60 -4.835 -1.148 1.568 1.00 0.00 C ATOM 958 O ALA A 60 -5.637 -0.552 2.286 1.00 0.00 O ATOM 959 CB ALA A 60 -3.998 -3.447 2.049 1.00 0.00 C ATOM 0 H ALA A 60 -4.121 -3.549 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.026 -2.928 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.131 -3.258 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.147 -4.508 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.989 -3.159 1.753 1.00 0.00 H new ATOM 965 N VAL A 61 -3.779 -0.556 1.020 1.00 0.00 N ATOM 966 CA VAL A 61 -3.506 0.856 1.249 1.00 0.00 C ATOM 967 C VAL A 61 -4.625 1.717 0.666 1.00 0.00 C ATOM 968 O VAL A 61 -5.079 2.671 1.296 1.00 0.00 O ATOM 969 CB VAL A 61 -2.171 1.244 0.606 1.00 0.00 C ATOM 970 CG1 VAL A 61 -1.980 2.764 0.677 1.00 0.00 C ATOM 971 CG2 VAL A 61 -1.029 0.554 1.355 1.00 0.00 C ATOM 0 H VAL A 61 -3.104 -1.028 0.419 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.452 1.027 2.324 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.170 0.931 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.029 3.033 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.793 3.258 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.983 3.083 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.077 0.828 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.036 0.868 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.159 -0.527 1.301 1.00 0.00 H new ATOM 981 N GLU A 62 -5.059 1.376 -0.541 1.00 0.00 N ATOM 982 CA GLU A 62 -6.119 2.130 -1.198 1.00 0.00 C ATOM 983 C GLU A 62 -7.411 2.050 -0.393 1.00 0.00 C ATOM 984 O GLU A 62 -8.106 3.050 -0.211 1.00 0.00 O ATOM 985 CB GLU A 62 -6.357 1.577 -2.605 1.00 0.00 C ATOM 986 CG GLU A 62 -7.366 2.459 -3.340 1.00 0.00 C ATOM 987 CD GLU A 62 -7.567 1.949 -4.762 1.00 0.00 C ATOM 988 OE1 GLU A 62 -6.764 1.143 -5.199 1.00 0.00 O ATOM 989 OE2 GLU A 62 -8.520 2.376 -5.395 1.00 0.00 O ATOM 0 H GLU A 62 -4.697 0.590 -1.081 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.810 3.173 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.418 1.544 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.728 0.554 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.317 2.459 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.012 3.490 -3.361 1.00 0.00 H new ATOM 996 N SER A 63 -7.727 0.853 0.089 1.00 0.00 N ATOM 997 CA SER A 63 -8.935 0.651 0.881 1.00 0.00 C ATOM 998 C SER A 63 -8.881 1.465 2.169 1.00 0.00 C ATOM 999 O SER A 63 -9.864 2.100 2.555 1.00 0.00 O ATOM 1000 CB SER A 63 -9.098 -0.831 1.221 1.00 0.00 C ATOM 1001 OG SER A 63 -10.058 -0.969 2.261 1.00 0.00 O ATOM 0 H SER A 63 -7.167 0.012 -0.054 1.00 0.00 H new ATOM 0 HA SER A 63 -9.788 0.985 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.417 -1.386 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.142 -1.252 1.534 1.00 0.00 H new ATOM 0 HG SER A 63 -10.167 -1.918 2.482 1.00 0.00 H new ATOM 1007 N THR A 64 -7.729 1.441 2.830 1.00 0.00 N ATOM 1008 CA THR A 64 -7.560 2.178 4.077 1.00 0.00 C ATOM 1009 C THR A 64 -7.576 3.680 3.822 1.00 0.00 C ATOM 1010 O THR A 64 -8.475 4.385 4.276 1.00 0.00 O ATOM 1011 CB THR A 64 -6.240 1.785 4.740 1.00 0.00 C ATOM 1012 OG1 THR A 64 -5.192 1.854 3.782 1.00 0.00 O ATOM 1013 CG2 THR A 64 -6.345 0.361 5.283 1.00 0.00 C ATOM 0 H THR A 64 -6.904 0.924 2.526 1.00 0.00 H new ATOM 0 HA THR A 64 -8.389 1.927 4.739 1.00 0.00 H new ATOM 0 HB THR A 64 -6.027 2.469 5.561 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.193 1.040 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.403 0.081 5.756 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.149 0.310 6.017 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.558 -0.326 4.464 1.00 0.00 H new ATOM 1021 N LEU A 65 -6.574 4.161 3.088 1.00 0.00 N ATOM 1022 CA LEU A 65 -6.475 5.587 2.769 1.00 0.00 C ATOM 1023 C LEU A 65 -6.952 5.849 1.349 1.00 0.00 C ATOM 1024 O LEU A 65 -6.151 5.943 0.419 1.00 0.00 O ATOM 1025 CB LEU A 65 -5.025 6.049 2.913 1.00 0.00 C ATOM 1026 CG LEU A 65 -4.553 5.814 4.352 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -3.034 6.010 4.428 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -5.245 6.796 5.317 1.00 0.00 C ATOM 0 H LEU A 65 -5.822 3.589 2.704 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.107 6.143 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.388 5.504 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.942 7.106 2.660 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.812 4.796 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.696 5.843 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.542 5.300 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.783 7.026 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.897 6.613 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.004 7.819 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.324 6.651 5.272 1.00 0.00 H new ATOM 1040 N SER A 66 -8.261 5.980 1.194 1.00 0.00 N ATOM 1041 CA SER A 66 -8.852 6.252 -0.112 1.00 0.00 C ATOM 1042 C SER A 66 -8.617 7.716 -0.509 1.00 0.00 C ATOM 1043 O SER A 66 -8.245 8.009 -1.647 1.00 0.00 O ATOM 1044 CB SER A 66 -10.360 5.944 -0.088 1.00 0.00 C ATOM 1045 OG SER A 66 -10.656 4.983 -1.089 1.00 0.00 O ATOM 0 H SER A 66 -8.936 5.903 1.955 1.00 0.00 H new ATOM 0 HA SER A 66 -8.374 5.609 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.651 5.567 0.892 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.932 6.855 -0.261 1.00 0.00 H new ATOM 0 HG SER A 66 -11.615 4.782 -1.076 1.00 0.00 H new ATOM 1051 N PRO A 67 -8.845 8.632 0.406 1.00 0.00 N ATOM 1052 CA PRO A 67 -8.677 10.083 0.144 1.00 0.00 C ATOM 1053 C PRO A 67 -7.228 10.527 0.301 1.00 0.00 C ATOM 1054 O PRO A 67 -6.677 10.491 1.398 1.00 0.00 O ATOM 1055 CB PRO A 67 -9.579 10.738 1.205 1.00 0.00 C ATOM 1056 CG PRO A 67 -9.656 9.758 2.348 1.00 0.00 C ATOM 1057 CD PRO A 67 -9.280 8.375 1.790 1.00 0.00 C ATOM 0 HA PRO A 67 -8.942 10.358 -0.877 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.165 11.691 1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.570 10.945 0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.976 10.047 3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.660 9.741 2.773 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.484 7.915 2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.130 7.693 1.817 1.00 0.00 H new ATOM 1065 N CYS A 68 -6.619 10.948 -0.803 1.00 0.00 N ATOM 1066 CA CYS A 68 -5.225 11.405 -0.787 1.00 0.00 C ATOM 1067 C CYS A 68 -5.097 12.726 -1.542 1.00 0.00 C ATOM 1068 O CYS A 68 -4.126 13.462 -1.361 1.00 0.00 O ATOM 1069 CB CYS A 68 -4.314 10.328 -1.425 1.00 0.00 C ATOM 1070 SG CYS A 68 -5.300 9.259 -2.504 1.00 0.00 S ATOM 0 H CYS A 68 -7.064 10.984 -1.720 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.912 11.565 0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.517 10.804 -1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.836 9.734 -0.646 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.303 8.773 -1.834 1.00 0.00 H new ATOM 1076 N LYS A 69 -6.078 13.021 -2.383 1.00 0.00 N ATOM 1077 CA LYS A 69 -6.058 14.256 -3.157 1.00 0.00 C ATOM 1078 C LYS A 69 -6.232 15.467 -2.247 1.00 0.00 C ATOM 1079 O LYS A 69 -6.076 16.609 -2.681 1.00 0.00 O ATOM 1080 CB LYS A 69 -7.167 14.233 -4.207 1.00 0.00 C ATOM 1081 CG LYS A 69 -8.525 14.116 -3.514 1.00 0.00 C ATOM 1082 CD LYS A 69 -9.626 13.998 -4.568 1.00 0.00 C ATOM 1083 CE LYS A 69 -10.978 13.830 -3.872 1.00 0.00 C ATOM 1084 NZ LYS A 69 -11.252 15.024 -3.024 1.00 0.00 N ATOM 0 H LYS A 69 -6.892 12.428 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.092 14.333 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.131 15.141 -4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.021 13.394 -4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.538 13.244 -2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.701 14.989 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.637 14.886 -5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.431 13.146 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.768 13.708 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.974 12.929 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.271 15.083 -2.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.730 14.941 -2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.946 15.883 -3.525 1.00 0.00 H new ATOM 1098 N GLU A 70 -6.569 15.210 -0.988 1.00 0.00 N ATOM 1099 CA GLU A 70 -6.773 16.289 -0.028 1.00 0.00 C ATOM 1100 C GLU A 70 -5.443 16.906 0.385 1.00 0.00 C ATOM 1101 O GLU A 70 -5.340 18.120 0.553 1.00 0.00 O ATOM 1102 CB GLU A 70 -7.494 15.756 1.212 1.00 0.00 C ATOM 1103 CG GLU A 70 -8.923 15.362 0.839 1.00 0.00 C ATOM 1104 CD GLU A 70 -9.630 14.761 2.052 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -8.998 14.656 3.089 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -10.794 14.418 1.921 1.00 0.00 O ATOM 0 H GLU A 70 -6.706 14.272 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.382 17.057 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.961 14.894 1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.507 16.516 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.470 16.236 0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.909 14.641 0.021 1.00 0.00 H new ATOM 1113 N HIS A 71 -4.426 16.063 0.542 1.00 0.00 N ATOM 1114 CA HIS A 71 -3.097 16.536 0.935 1.00 0.00 C ATOM 1115 C HIS A 71 -2.167 16.561 -0.271 1.00 0.00 C ATOM 1116 O HIS A 71 -1.989 15.551 -0.952 1.00 0.00 O ATOM 1117 CB HIS A 71 -2.516 15.620 2.013 1.00 0.00 C ATOM 1118 CG HIS A 71 -3.358 15.717 3.257 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -3.279 16.803 4.116 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -4.295 14.877 3.801 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -4.146 16.588 5.124 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -4.792 15.426 4.978 1.00 0.00 N ATOM 0 H HIS A 71 -4.493 15.055 0.405 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.190 17.547 1.332 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.491 14.590 1.656 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.487 15.906 2.233 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.601 13.931 3.379 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.300 17.269 5.948 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -5.498 15.028 5.597 1.00 0.00 H new ATOM 1130 N ASP A 72 -1.580 17.724 -0.533 1.00 0.00 N ATOM 1131 CA ASP A 72 -0.672 17.870 -1.664 1.00 0.00 C ATOM 1132 C ASP A 72 0.516 16.930 -1.514 1.00 0.00 C ATOM 1133 O ASP A 72 1.023 16.395 -2.500 1.00 0.00 O ATOM 1134 CB ASP A 72 -0.174 19.318 -1.746 1.00 0.00 C ATOM 1135 CG ASP A 72 0.487 19.715 -0.430 1.00 0.00 C ATOM 1136 OD1 ASP A 72 0.383 18.953 0.518 1.00 0.00 O ATOM 1137 OD2 ASP A 72 1.090 20.775 -0.390 1.00 0.00 O ATOM 0 H ASP A 72 -1.715 18.572 0.017 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.209 17.618 -2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.537 19.421 -2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.007 19.987 -1.961 1.00 0.00 H new ATOM 1142 N VAL A 73 0.954 16.722 -0.277 1.00 0.00 N ATOM 1143 CA VAL A 73 2.084 15.838 -0.022 1.00 0.00 C ATOM 1144 C VAL A 73 1.752 14.414 -0.466 1.00 0.00 C ATOM 1145 O VAL A 73 2.538 13.771 -1.164 1.00 0.00 O ATOM 1146 CB VAL A 73 2.416 15.844 1.474 1.00 0.00 C ATOM 1147 CG1 VAL A 73 3.514 14.820 1.763 1.00 0.00 C ATOM 1148 CG2 VAL A 73 2.900 17.238 1.883 1.00 0.00 C ATOM 0 H VAL A 73 0.549 17.149 0.556 1.00 0.00 H new ATOM 0 HA VAL A 73 2.945 16.194 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 73 1.523 15.585 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.747 14.827 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.171 13.827 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.408 15.075 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.136 17.243 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.792 17.496 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.117 17.969 1.682 1.00 0.00 H new ATOM 1158 N ILE A 74 0.578 13.935 -0.066 1.00 0.00 N ATOM 1159 CA ILE A 74 0.141 12.592 -0.433 1.00 0.00 C ATOM 1160 C ILE A 74 -0.462 12.605 -1.822 1.00 0.00 C ATOM 1161 O ILE A 74 -0.504 11.584 -2.483 1.00 0.00 O ATOM 1162 CB ILE A 74 -0.889 12.072 0.567 1.00 0.00 C ATOM 1163 CG1 ILE A 74 -0.341 12.235 1.986 1.00 0.00 C ATOM 1164 CG2 ILE A 74 -1.153 10.588 0.295 1.00 0.00 C ATOM 1165 CD1 ILE A 74 -1.425 11.870 2.997 1.00 0.00 C ATOM 0 H ILE A 74 -0.085 14.454 0.510 1.00 0.00 H new ATOM 0 HA ILE A 74 1.008 11.932 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.817 12.635 0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.531 11.596 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.012 13.262 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.888 10.213 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.535 10.466 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.224 10.028 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.034 11.986 4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.284 12.527 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.732 10.835 2.844 1.00 0.00 H new ATOM 1177 N GLY A 75 -0.937 13.776 -2.258 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.546 13.913 -3.585 1.00 0.00 C ATOM 1179 C GLY A 75 -0.859 13.010 -4.605 1.00 0.00 C ATOM 1180 O GLY A 75 -1.485 12.124 -5.187 1.00 0.00 O ATOM 0 H GLY A 75 -0.912 14.639 -1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.605 13.662 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.481 14.951 -3.912 1.00 0.00 H new ATOM 1184 N THR A 76 0.437 13.238 -4.816 1.00 0.00 N ATOM 1185 CA THR A 76 1.209 12.437 -5.765 1.00 0.00 C ATOM 1186 C THR A 76 0.815 10.963 -5.677 1.00 0.00 C ATOM 1187 O THR A 76 0.979 10.206 -6.633 1.00 0.00 O ATOM 1188 CB THR A 76 2.704 12.584 -5.474 1.00 0.00 C ATOM 1189 OG1 THR A 76 2.981 12.107 -4.165 1.00 0.00 O ATOM 1190 CG2 THR A 76 3.104 14.057 -5.576 1.00 0.00 C ATOM 0 H THR A 76 0.972 13.967 -4.345 1.00 0.00 H new ATOM 0 HA THR A 76 0.994 12.797 -6.771 1.00 0.00 H new ATOM 0 HB THR A 76 3.273 12.004 -6.200 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.939 12.199 -3.979 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.169 14.160 -5.368 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.893 14.423 -6.581 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.535 14.640 -4.851 1.00 0.00 H new ATOM 1198 N LYS A 77 0.291 10.568 -4.522 1.00 0.00 N ATOM 1199 CA LYS A 77 -0.131 9.185 -4.312 1.00 0.00 C ATOM 1200 C LYS A 77 -1.186 8.795 -5.339 1.00 0.00 C ATOM 1201 O LYS A 77 -1.124 7.718 -5.921 1.00 0.00 O ATOM 1202 CB LYS A 77 -0.714 9.020 -2.903 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.046 7.557 -2.659 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.555 7.371 -1.228 1.00 0.00 C ATOM 1205 CE LYS A 77 -1.859 5.892 -0.980 1.00 0.00 C ATOM 1206 NZ LYS A 77 -3.007 5.468 -1.832 1.00 0.00 N ATOM 0 H LYS A 77 0.148 11.181 -3.719 1.00 0.00 H new ATOM 0 HA LYS A 77 0.739 8.538 -4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.001 9.370 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.611 9.630 -2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.802 7.223 -3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.161 6.942 -2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.808 7.723 -0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.453 7.969 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.981 5.287 -1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.094 5.730 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.408 4.584 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.737 6.209 -1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.678 5.315 -2.807 1.00 0.00 H new ATOM 1220 N VAL A 78 -2.159 9.673 -5.547 1.00 0.00 N ATOM 1221 CA VAL A 78 -3.228 9.394 -6.499 1.00 0.00 C ATOM 1222 C VAL A 78 -2.641 9.122 -7.881 1.00 0.00 C ATOM 1223 O VAL A 78 -3.052 8.187 -8.567 1.00 0.00 O ATOM 1224 CB VAL A 78 -4.177 10.590 -6.574 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -5.205 10.371 -7.689 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -4.908 10.753 -5.240 1.00 0.00 C ATOM 0 H VAL A 78 -2.231 10.575 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.778 8.514 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.598 11.489 -6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.878 11.227 -7.737 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.689 10.261 -8.643 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.780 9.469 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.584 11.607 -5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.481 9.851 -5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.181 10.918 -4.445 1.00 0.00 H new ATOM 1236 N CYS A 79 -1.676 9.940 -8.285 1.00 0.00 N ATOM 1237 CA CYS A 79 -1.045 9.767 -9.588 1.00 0.00 C ATOM 1238 C CYS A 79 -0.335 8.413 -9.667 1.00 0.00 C ATOM 1239 O CYS A 79 -0.483 7.671 -10.645 1.00 0.00 O ATOM 1240 CB CYS A 79 -0.030 10.890 -9.824 1.00 0.00 C ATOM 1241 SG CYS A 79 -0.897 12.475 -9.922 1.00 0.00 S ATOM 0 H CYS A 79 -1.317 10.721 -7.736 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.818 9.804 -10.355 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.699 10.912 -9.014 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.522 10.708 -10.746 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.036 13.429 -10.120 1.00 0.00 H new ATOM 1247 N ALA A 80 0.426 8.090 -8.624 1.00 0.00 N ATOM 1248 CA ALA A 80 1.149 6.826 -8.586 1.00 0.00 C ATOM 1249 C ALA A 80 0.171 5.660 -8.579 1.00 0.00 C ATOM 1250 O ALA A 80 0.408 4.634 -9.219 1.00 0.00 O ATOM 1251 CB ALA A 80 2.029 6.763 -7.334 1.00 0.00 C ATOM 0 H ALA A 80 0.556 8.681 -7.803 1.00 0.00 H new ATOM 0 HA ALA A 80 1.778 6.759 -9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.566 5.815 -7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.745 7.585 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.403 6.845 -6.445 1.00 0.00 H new ATOM 1257 N LEU A 81 -0.931 5.825 -7.860 1.00 0.00 N ATOM 1258 CA LEU A 81 -1.933 4.782 -7.785 1.00 0.00 C ATOM 1259 C LEU A 81 -2.513 4.513 -9.161 1.00 0.00 C ATOM 1260 O LEU A 81 -2.732 3.365 -9.540 1.00 0.00 O ATOM 1261 CB LEU A 81 -3.057 5.191 -6.818 1.00 0.00 C ATOM 1262 CG LEU A 81 -4.188 4.147 -6.842 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -3.623 2.757 -6.525 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -5.243 4.521 -5.796 1.00 0.00 C ATOM 0 H LEU A 81 -1.149 6.666 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.460 3.873 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.660 5.284 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.449 6.169 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.642 4.130 -7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.429 2.024 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.873 2.491 -7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.165 2.767 -5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.046 3.784 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.784 4.540 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.650 5.506 -6.026 1.00 0.00 H new ATOM 1276 N LEU A 82 -2.784 5.576 -9.899 1.00 0.00 N ATOM 1277 CA LEU A 82 -3.364 5.423 -11.220 1.00 0.00 C ATOM 1278 C LEU A 82 -2.406 4.652 -12.128 1.00 0.00 C ATOM 1279 O LEU A 82 -2.803 3.731 -12.843 1.00 0.00 O ATOM 1280 CB LEU A 82 -3.657 6.815 -11.822 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.858 6.740 -12.783 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -4.614 5.652 -13.842 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -6.155 6.423 -11.987 1.00 0.00 C ATOM 0 H LEU A 82 -2.615 6.540 -9.611 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.296 4.864 -11.138 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.865 7.527 -11.024 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.779 7.181 -12.354 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.974 7.702 -13.282 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.468 5.605 -14.518 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.715 5.892 -14.409 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.487 4.688 -13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.000 6.372 -12.674 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.044 5.467 -11.476 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.332 7.208 -11.252 1.00 0.00 H new ATOM 1295 N ASP A 83 -1.143 5.036 -12.092 1.00 0.00 N ATOM 1296 CA ASP A 83 -0.150 4.377 -12.927 1.00 0.00 C ATOM 1297 C ASP A 83 -0.054 2.897 -12.575 1.00 0.00 C ATOM 1298 O ASP A 83 -0.032 2.038 -13.458 1.00 0.00 O ATOM 1299 CB ASP A 83 1.213 5.040 -12.729 1.00 0.00 C ATOM 1300 CG ASP A 83 1.233 6.412 -13.397 1.00 0.00 C ATOM 1301 OD1 ASP A 83 0.352 6.671 -14.203 1.00 0.00 O ATOM 1302 OD2 ASP A 83 2.129 7.182 -13.095 1.00 0.00 O ATOM 0 H ASP A 83 -0.782 5.788 -11.505 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.454 4.471 -13.970 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.425 5.142 -11.665 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.997 4.411 -13.151 1.00 0.00 H new ATOM 1307 N ARG A 84 -0.006 2.604 -11.282 1.00 0.00 N ATOM 1308 CA ARG A 84 0.083 1.224 -10.825 1.00 0.00 C ATOM 1309 C ARG A 84 -1.186 0.458 -11.172 1.00 0.00 C ATOM 1310 O ARG A 84 -1.138 -0.708 -11.555 1.00 0.00 O ATOM 1311 CB ARG A 84 0.310 1.185 -9.314 1.00 0.00 C ATOM 1312 CG ARG A 84 1.719 1.687 -8.996 1.00 0.00 C ATOM 1313 CD ARG A 84 1.930 1.690 -7.479 1.00 0.00 C ATOM 1314 NE ARG A 84 1.869 0.330 -6.962 1.00 0.00 N ATOM 1315 CZ ARG A 84 1.933 0.088 -5.657 1.00 0.00 C ATOM 1316 NH1 ARG A 84 2.052 1.078 -4.814 1.00 0.00 N ATOM 1317 NH2 ARG A 84 1.876 -1.140 -5.217 1.00 0.00 N ATOM 0 H ARG A 84 -0.027 3.299 -10.535 1.00 0.00 H new ATOM 0 HA ARG A 84 0.926 0.751 -11.330 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.431 1.804 -8.808 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.182 0.168 -8.943 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.461 1.049 -9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.857 2.692 -9.395 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.896 2.135 -7.239 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.168 2.304 -6.999 1.00 0.00 H new ATOM 0 HE ARG A 84 1.776 -0.450 -7.613 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.096 2.038 -5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.101 0.892 -3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.782 -1.914 -5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.925 -1.326 -4.215 1.00 0.00 H new ATOM 1331 N LEU A 85 -2.320 1.124 -11.028 1.00 0.00 N ATOM 1332 CA LEU A 85 -3.600 0.508 -11.322 1.00 0.00 C ATOM 1333 C LEU A 85 -3.724 0.194 -12.807 1.00 0.00 C ATOM 1334 O LEU A 85 -4.422 -0.743 -13.197 1.00 0.00 O ATOM 1335 CB LEU A 85 -4.738 1.432 -10.889 1.00 0.00 C ATOM 1336 CG LEU A 85 -6.112 0.737 -11.140 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -7.047 0.981 -9.954 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -6.759 1.302 -12.414 1.00 0.00 C ATOM 0 H LEU A 85 -2.379 2.091 -10.709 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.664 -0.427 -10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.634 1.681 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.688 2.369 -11.444 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.945 -0.334 -11.258 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.004 0.492 -10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.599 0.573 -9.048 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.205 2.052 -9.830 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.718 0.812 -12.583 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.915 2.375 -12.298 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.104 1.121 -13.266 1.00 0.00 H new ATOM 1350 N ALA A 86 -3.054 0.990 -13.632 1.00 0.00 N ATOM 1351 CA ALA A 86 -3.103 0.796 -15.074 1.00 0.00 C ATOM 1352 C ALA A 86 -2.608 -0.597 -15.442 1.00 0.00 C ATOM 1353 O ALA A 86 -2.948 -1.127 -16.499 1.00 0.00 O ATOM 1354 CB ALA A 86 -2.242 1.853 -15.770 1.00 0.00 C ATOM 0 H ALA A 86 -2.474 1.772 -13.328 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.137 0.898 -15.404 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.283 1.703 -16.849 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.619 2.847 -15.528 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.210 1.764 -15.430 1.00 0.00 H new ATOM 1360 N GLY A 87 -1.804 -1.181 -14.562 1.00 0.00 N ATOM 1361 CA GLY A 87 -1.270 -2.515 -14.804 1.00 0.00 C ATOM 1362 C GLY A 87 -0.170 -2.851 -13.807 1.00 0.00 C ATOM 1363 O GLY A 87 -0.319 -3.755 -12.986 1.00 0.00 O ATOM 0 H GLY A 87 -1.510 -0.757 -13.682 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.071 -3.250 -14.729 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.877 -2.575 -15.819 1.00 0.00 H new ATOM 1367 N ASP A 88 0.934 -2.117 -13.884 1.00 0.00 N ATOM 1368 CA ASP A 88 2.060 -2.349 -12.985 1.00 0.00 C ATOM 1369 C ASP A 88 3.127 -1.285 -13.181 1.00 0.00 C ATOM 1370 O ASP A 88 3.013 -0.432 -14.062 1.00 0.00 O ATOM 1371 CB ASP A 88 2.666 -3.731 -13.241 1.00 0.00 C ATOM 1372 CG ASP A 88 3.753 -4.020 -12.211 1.00 0.00 C ATOM 1373 OD1 ASP A 88 3.504 -3.801 -11.037 1.00 0.00 O ATOM 1374 OD2 ASP A 88 4.819 -4.459 -12.612 1.00 0.00 O ATOM 0 H ASP A 88 1.074 -1.361 -14.554 1.00 0.00 H new ATOM 0 HA ASP A 88 1.693 -2.300 -11.960 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.889 -4.494 -13.187 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.085 -3.773 -14.246 1.00 0.00 H new ATOM 1379 N TYR A 89 4.172 -1.343 -12.355 1.00 0.00 N ATOM 1380 CA TYR A 89 5.261 -0.377 -12.454 1.00 0.00 C ATOM 1381 C TYR A 89 6.383 -0.731 -11.481 1.00 0.00 C ATOM 1382 O TYR A 89 7.480 -1.111 -11.891 1.00 0.00 O ATOM 1383 CB TYR A 89 4.740 1.043 -12.145 1.00 0.00 C ATOM 1384 CG TYR A 89 5.580 2.067 -12.879 1.00 0.00 C ATOM 1385 CD1 TYR A 89 6.933 2.229 -12.557 1.00 0.00 C ATOM 1386 CD2 TYR A 89 5.002 2.850 -13.889 1.00 0.00 C ATOM 1387 CE1 TYR A 89 7.705 3.170 -13.242 1.00 0.00 C ATOM 1388 CE2 TYR A 89 5.776 3.792 -14.570 1.00 0.00 C ATOM 1389 CZ TYR A 89 7.127 3.953 -14.246 1.00 0.00 C ATOM 1390 OH TYR A 89 7.891 4.886 -14.917 1.00 0.00 O ATOM 0 H TYR A 89 4.285 -2.040 -11.619 1.00 0.00 H new ATOM 0 HA TYR A 89 5.653 -0.406 -13.471 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.696 1.131 -12.447 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.778 1.229 -11.072 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.379 1.627 -11.780 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.959 2.724 -14.140 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.749 3.293 -12.996 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.331 4.396 -15.347 1.00 0.00 H new ATOM 0 HH TYR A 89 7.337 5.344 -15.584 1.00 0.00 H new ATOM 1400 N VAL A 90 6.103 -0.590 -10.189 1.00 0.00 N ATOM 1401 CA VAL A 90 7.095 -0.883 -9.167 1.00 0.00 C ATOM 1402 C VAL A 90 7.424 -2.368 -9.161 1.00 0.00 C ATOM 1403 O VAL A 90 6.528 -3.209 -9.184 1.00 0.00 O ATOM 1404 CB VAL A 90 6.567 -0.476 -7.793 1.00 0.00 C ATOM 1405 CG1 VAL A 90 6.269 1.024 -7.781 1.00 0.00 C ATOM 1406 CG2 VAL A 90 5.282 -1.251 -7.489 1.00 0.00 C ATOM 0 H VAL A 90 5.202 -0.276 -9.829 1.00 0.00 H new ATOM 0 HA VAL A 90 7.999 -0.317 -9.391 1.00 0.00 H new ATOM 0 HB VAL A 90 7.318 -0.703 -7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.892 1.312 -6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.183 1.578 -7.996 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.519 1.252 -8.539 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.905 -0.960 -6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.533 -1.025 -8.247 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.492 -2.321 -7.495 1.00 0.00 H new ATOM 1416 N TYR A 91 8.718 -2.685 -9.128 1.00 0.00 N ATOM 1417 CA TYR A 91 9.163 -4.077 -9.121 1.00 0.00 C ATOM 1418 C TYR A 91 9.900 -4.374 -7.829 1.00 0.00 C ATOM 1419 O TYR A 91 10.580 -3.503 -7.270 1.00 0.00 O ATOM 1420 CB TYR A 91 10.094 -4.339 -10.304 1.00 0.00 C ATOM 1421 CG TYR A 91 9.403 -3.936 -11.583 1.00 0.00 C ATOM 1422 CD1 TYR A 91 8.376 -4.731 -12.109 1.00 0.00 C ATOM 1423 CD2 TYR A 91 9.788 -2.760 -12.245 1.00 0.00 C ATOM 1424 CE1 TYR A 91 7.734 -4.352 -13.293 1.00 0.00 C ATOM 1425 CE2 TYR A 91 9.148 -2.383 -13.431 1.00 0.00 C ATOM 1426 CZ TYR A 91 8.121 -3.179 -13.955 1.00 0.00 C ATOM 1427 OH TYR A 91 7.488 -2.808 -15.124 1.00 0.00 O ATOM 0 H TYR A 91 9.473 -2.000 -9.106 1.00 0.00 H new ATOM 0 HA TYR A 91 8.289 -4.724 -9.201 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.020 -3.776 -10.184 1.00 0.00 H new ATOM 0 HB3 TYR A 91 10.365 -5.394 -10.341 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.080 -5.637 -11.600 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.578 -2.146 -11.839 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.940 -4.963 -13.697 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.445 -1.479 -13.942 1.00 0.00 H new ATOM 0 HH TYR A 91 7.875 -1.970 -15.454 1.00 0.00 H new ATOM 1437 N LEU A 92 9.752 -5.607 -7.343 1.00 0.00 N ATOM 1438 CA LEU A 92 10.402 -6.027 -6.104 1.00 0.00 C ATOM 1439 C LEU A 92 11.386 -7.146 -6.374 1.00 0.00 C ATOM 1440 O LEU A 92 11.030 -8.171 -6.957 1.00 0.00 O ATOM 1441 CB LEU A 92 9.349 -6.493 -5.098 1.00 0.00 C ATOM 1442 CG LEU A 92 10.003 -6.703 -3.715 1.00 0.00 C ATOM 1443 CD1 LEU A 92 8.922 -6.698 -2.633 1.00 0.00 C ATOM 1444 CD2 LEU A 92 10.795 -8.041 -3.673 1.00 0.00 C ATOM 0 H LEU A 92 9.188 -6.331 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 92 10.945 -5.178 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.551 -5.754 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.893 -7.422 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 92 10.704 -5.889 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.384 -6.846 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.399 -5.742 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.212 -7.502 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.246 -8.166 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.117 -8.872 -3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.578 -8.025 -4.431 1.00 0.00 H new ATOM 1456 N PHE A 93 12.633 -6.942 -5.944 1.00 0.00 N ATOM 1457 CA PHE A 93 13.691 -7.943 -6.148 1.00 0.00 C ATOM 1458 C PHE A 93 14.360 -8.285 -4.818 1.00 0.00 C ATOM 1459 O PHE A 93 14.401 -7.462 -3.904 1.00 0.00 O ATOM 1460 CB PHE A 93 14.749 -7.410 -7.157 1.00 0.00 C ATOM 1461 CG PHE A 93 14.241 -6.138 -7.796 1.00 0.00 C ATOM 1462 CD1 PHE A 93 14.196 -4.962 -7.042 1.00 0.00 C ATOM 1463 CD2 PHE A 93 13.817 -6.136 -9.127 1.00 0.00 C ATOM 1464 CE1 PHE A 93 13.726 -3.776 -7.623 1.00 0.00 C ATOM 1465 CE2 PHE A 93 13.348 -4.951 -9.704 1.00 0.00 C ATOM 1466 CZ PHE A 93 13.304 -3.771 -8.952 1.00 0.00 C ATOM 0 H PHE A 93 12.937 -6.100 -5.455 1.00 0.00 H new ATOM 0 HA PHE A 93 13.240 -8.847 -6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 93 15.692 -7.221 -6.645 1.00 0.00 H new ATOM 0 HB3 PHE A 93 14.947 -8.160 -7.923 1.00 0.00 H new ATOM 0 HD1 PHE A 93 14.523 -4.967 -6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 93 13.851 -7.046 -9.708 1.00 0.00 H new ATOM 0 HE1 PHE A 93 13.691 -2.867 -7.042 1.00 0.00 H new ATOM 0 HE2 PHE A 93 13.019 -4.946 -10.733 1.00 0.00 H new ATOM 0 HZ PHE A 93 12.943 -2.857 -9.401 1.00 0.00 H new ATOM 1476 N ASP A 94 14.885 -9.502 -4.726 1.00 0.00 N ATOM 1477 CA ASP A 94 15.552 -9.942 -3.510 1.00 0.00 C ATOM 1478 C ASP A 94 16.922 -9.281 -3.393 1.00 0.00 C ATOM 1479 O ASP A 94 17.328 -8.502 -4.258 1.00 0.00 O ATOM 1480 CB ASP A 94 15.716 -11.461 -3.528 1.00 0.00 C ATOM 1481 CG ASP A 94 16.173 -11.950 -2.159 1.00 0.00 C ATOM 1482 OD1 ASP A 94 16.012 -11.207 -1.203 1.00 0.00 O ATOM 1483 OD2 ASP A 94 16.678 -13.058 -2.085 1.00 0.00 O ATOM 0 H ASP A 94 14.861 -10.195 -5.474 1.00 0.00 H new ATOM 0 HA ASP A 94 14.944 -9.654 -2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 94 14.771 -11.934 -3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 94 16.443 -11.748 -4.288 1.00 0.00 H new ATOM 1488 N GLU A 95 17.630 -9.588 -2.311 1.00 0.00 N ATOM 1489 CA GLU A 95 18.951 -9.016 -2.081 1.00 0.00 C ATOM 1490 C GLU A 95 19.939 -9.500 -3.136 1.00 0.00 C ATOM 1491 O GLU A 95 20.800 -8.747 -3.584 1.00 0.00 O ATOM 1492 CB GLU A 95 19.452 -9.409 -0.689 1.00 0.00 C ATOM 1493 CG GLU A 95 18.535 -8.807 0.378 1.00 0.00 C ATOM 1494 CD GLU A 95 18.632 -7.284 0.355 1.00 0.00 C ATOM 1495 OE1 GLU A 95 19.622 -6.781 -0.150 1.00 0.00 O ATOM 1496 OE2 GLU A 95 17.711 -6.645 0.836 1.00 0.00 O ATOM 0 H GLU A 95 17.312 -10.227 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 95 18.873 -7.931 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 95 19.474 -10.495 -0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 95 20.473 -9.056 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 95 17.505 -9.116 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 95 18.815 -9.182 1.362 1.00 0.00 H new ATOM 1503 N GLY A 96 19.807 -10.763 -3.528 1.00 0.00 N ATOM 1504 CA GLY A 96 20.695 -11.338 -4.530 1.00 0.00 C ATOM 1505 C GLY A 96 20.286 -10.904 -5.933 1.00 0.00 C ATOM 1506 O GLY A 96 20.953 -11.237 -6.914 1.00 0.00 O ATOM 0 H GLY A 96 19.099 -11.404 -3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 96 21.721 -11.027 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.673 -12.426 -4.460 1.00 0.00 H new ATOM 1510 N GLY A 97 19.187 -10.162 -6.023 1.00 0.00 N ATOM 1511 CA GLY A 97 18.692 -9.685 -7.312 1.00 0.00 C ATOM 1512 C GLY A 97 17.732 -10.694 -7.928 1.00 0.00 C ATOM 1513 O GLY A 97 17.210 -10.479 -9.021 1.00 0.00 O ATOM 0 H GLY A 97 18.623 -9.878 -5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.187 -8.728 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 97 19.530 -9.513 -7.988 1.00 0.00 H new ATOM 1517 N ASP A 98 17.496 -11.796 -7.220 1.00 0.00 N ATOM 1518 CA ASP A 98 16.592 -12.835 -7.711 1.00 0.00 C ATOM 1519 C ASP A 98 15.164 -12.540 -7.274 1.00 0.00 C ATOM 1520 O ASP A 98 14.842 -12.620 -6.089 1.00 0.00 O ATOM 1521 CB ASP A 98 17.016 -14.199 -7.164 1.00 0.00 C ATOM 1522 CG ASP A 98 16.293 -15.308 -7.920 1.00 0.00 C ATOM 1523 OD1 ASP A 98 15.291 -15.014 -8.547 1.00 0.00 O ATOM 1524 OD2 ASP A 98 16.759 -16.434 -7.865 1.00 0.00 O ATOM 0 H ASP A 98 17.914 -11.993 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 98 16.639 -12.849 -8.800 1.00 0.00 H new ATOM 0 HB2 ASP A 98 18.094 -14.322 -7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 98 16.786 -14.262 -6.100 1.00 0.00 H new ATOM 1529 N GLU A 99 14.312 -12.197 -8.238 1.00 0.00 N ATOM 1530 CA GLU A 99 12.920 -11.887 -7.931 1.00 0.00 C ATOM 1531 C GLU A 99 12.307 -12.993 -7.083 1.00 0.00 C ATOM 1532 O GLU A 99 11.696 -13.923 -7.607 1.00 0.00 O ATOM 1533 CB GLU A 99 12.125 -11.741 -9.231 1.00 0.00 C ATOM 1534 CG GLU A 99 12.590 -10.493 -9.981 1.00 0.00 C ATOM 1535 CD GLU A 99 11.851 -10.373 -11.308 1.00 0.00 C ATOM 1536 OE1 GLU A 99 11.029 -11.231 -11.587 1.00 0.00 O ATOM 1537 OE2 GLU A 99 12.110 -9.420 -12.025 1.00 0.00 O ATOM 0 H GLU A 99 14.558 -12.128 -9.226 1.00 0.00 H new ATOM 0 HA GLU A 99 12.884 -10.951 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.263 -12.624 -9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.060 -11.669 -9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.409 -9.606 -9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.664 -10.545 -10.158 1.00 0.00 H new ATOM 1544 N VAL A 100 12.469 -12.879 -5.767 1.00 0.00 N ATOM 1545 CA VAL A 100 11.923 -13.873 -4.850 1.00 0.00 C ATOM 1546 C VAL A 100 11.637 -13.244 -3.486 1.00 0.00 C ATOM 1547 O VAL A 100 12.489 -12.561 -2.914 1.00 0.00 O ATOM 1548 CB VAL A 100 12.915 -15.029 -4.690 1.00 0.00 C ATOM 1549 CG1 VAL A 100 12.406 -16.000 -3.616 1.00 0.00 C ATOM 1550 CG2 VAL A 100 13.058 -15.775 -6.021 1.00 0.00 C ATOM 0 H VAL A 100 12.970 -12.114 -5.315 1.00 0.00 H new ATOM 0 HA VAL A 100 10.988 -14.252 -5.262 1.00 0.00 H new ATOM 0 HB VAL A 100 13.884 -14.630 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 100 13.113 -16.822 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 100 12.308 -15.474 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.435 -16.395 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 100 13.764 -16.597 -5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.088 -16.171 -6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.423 -15.089 -6.785 1.00 0.00 H new ATOM 1560 N ILE A 101 10.438 -13.482 -2.975 1.00 0.00 N ATOM 1561 CA ILE A 101 10.049 -12.932 -1.682 1.00 0.00 C ATOM 1562 C ILE A 101 10.966 -13.465 -0.592 1.00 0.00 C ATOM 1563 O ILE A 101 11.248 -14.661 -0.536 1.00 0.00 O ATOM 1564 CB ILE A 101 8.605 -13.318 -1.364 1.00 0.00 C ATOM 1565 CG1 ILE A 101 7.676 -12.715 -2.420 1.00 0.00 C ATOM 1566 CG2 ILE A 101 8.226 -12.775 0.017 1.00 0.00 C ATOM 1567 CD1 ILE A 101 6.282 -13.330 -2.285 1.00 0.00 C ATOM 0 H ILE A 101 9.722 -14.048 -3.430 1.00 0.00 H new ATOM 0 HA ILE A 101 10.132 -11.846 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 101 8.507 -14.404 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.621 -11.633 -2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.073 -12.902 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.196 -13.049 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.890 -13.199 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.321 -11.689 0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.620 -12.900 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.345 -14.408 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.886 -13.120 -1.291 1.00 0.00 H new ATOM 1579 N ALA A 102 11.431 -12.569 0.273 1.00 0.00 N ATOM 1580 CA ALA A 102 12.321 -12.969 1.358 1.00 0.00 C ATOM 1581 C ALA A 102 12.237 -11.972 2.519 1.00 0.00 C ATOM 1582 O ALA A 102 11.623 -10.911 2.396 1.00 0.00 O ATOM 1583 CB ALA A 102 13.776 -13.058 0.830 1.00 0.00 C ATOM 0 H ALA A 102 11.210 -11.574 0.246 1.00 0.00 H new ATOM 0 HA ALA A 102 12.012 -13.947 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 102 14.440 -13.357 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.828 -13.795 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 102 14.085 -12.085 0.448 1.00 0.00 H new ATOM 1589 N PRO A 103 12.859 -12.294 3.629 1.00 0.00 N ATOM 1590 CA PRO A 103 12.875 -11.402 4.824 1.00 0.00 C ATOM 1591 C PRO A 103 13.299 -9.977 4.469 1.00 0.00 C ATOM 1592 O PRO A 103 12.769 -9.011 5.013 1.00 0.00 O ATOM 1593 CB PRO A 103 13.908 -12.065 5.755 1.00 0.00 C ATOM 1594 CG PRO A 103 13.910 -13.508 5.367 1.00 0.00 C ATOM 1595 CD PRO A 103 13.606 -13.544 3.871 1.00 0.00 C ATOM 0 HA PRO A 103 11.888 -11.301 5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.895 -11.621 5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 103 13.634 -11.938 6.802 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.875 -13.968 5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 103 13.161 -14.064 5.931 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.520 -13.584 3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.015 -14.420 3.605 1.00 0.00 H new ATOM 1603 N ARG A 104 14.261 -9.855 3.555 1.00 0.00 N ATOM 1604 CA ARG A 104 14.752 -8.542 3.128 1.00 0.00 C ATOM 1605 C ARG A 104 14.783 -8.458 1.609 1.00 0.00 C ATOM 1606 O ARG A 104 15.279 -9.362 0.938 1.00 0.00 O ATOM 1607 CB ARG A 104 16.157 -8.308 3.685 1.00 0.00 C ATOM 1608 CG ARG A 104 16.078 -8.150 5.204 1.00 0.00 C ATOM 1609 CD ARG A 104 17.488 -8.051 5.777 1.00 0.00 C ATOM 1610 NE ARG A 104 18.151 -6.848 5.284 1.00 0.00 N ATOM 1611 CZ ARG A 104 19.453 -6.654 5.471 1.00 0.00 C ATOM 1612 NH1 ARG A 104 20.162 -7.550 6.103 1.00 0.00 N ATOM 1613 NH2 ARG A 104 20.022 -5.568 5.024 1.00 0.00 N ATOM 0 H ARG A 104 14.715 -10.645 3.097 1.00 0.00 H new ATOM 0 HA ARG A 104 14.078 -7.775 3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 104 16.807 -9.145 3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 104 16.594 -7.416 3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 104 15.507 -7.257 5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 104 15.554 -9.000 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 104 17.445 -8.031 6.866 1.00 0.00 H new ATOM 0 HD3 ARG A 104 18.064 -8.933 5.497 1.00 0.00 H new ATOM 0 HE ARG A 104 17.606 -6.143 4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 104 19.717 -8.398 6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 104 21.161 -7.402 6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 104 19.468 -4.868 4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 104 21.021 -5.419 5.168 1.00 0.00 H new ATOM 1627 N MET A 105 14.240 -7.371 1.074 1.00 0.00 N ATOM 1628 CA MET A 105 14.196 -7.180 -0.372 1.00 0.00 C ATOM 1629 C MET A 105 14.160 -5.692 -0.701 1.00 0.00 C ATOM 1630 O MET A 105 14.050 -4.853 0.191 1.00 0.00 O ATOM 1631 CB MET A 105 12.955 -7.874 -0.956 1.00 0.00 C ATOM 1632 CG MET A 105 11.824 -7.854 0.075 1.00 0.00 C ATOM 1633 SD MET A 105 11.639 -6.182 0.745 1.00 0.00 S ATOM 1634 CE MET A 105 10.073 -6.450 1.618 1.00 0.00 C ATOM 0 H MET A 105 13.826 -6.612 1.615 1.00 0.00 H new ATOM 0 HA MET A 105 15.090 -7.620 -0.813 1.00 0.00 H new ATOM 0 HB2 MET A 105 12.638 -7.368 -1.868 1.00 0.00 H new ATOM 0 HB3 MET A 105 13.195 -8.902 -1.228 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.891 -8.176 -0.388 1.00 0.00 H new ATOM 0 HG3 MET A 105 12.040 -8.557 0.880 1.00 0.00 H new ATOM 0 HE1 MET A 105 9.427 -5.583 1.481 1.00 0.00 H new ATOM 0 HE2 MET A 105 9.580 -7.336 1.218 1.00 0.00 H new ATOM 0 HE3 MET A 105 10.269 -6.592 2.681 1.00 0.00 H new ATOM 1644 N TYR A 106 14.246 -5.378 -1.993 1.00 0.00 N ATOM 1645 CA TYR A 106 14.211 -3.992 -2.448 1.00 0.00 C ATOM 1646 C TYR A 106 13.003 -3.760 -3.347 1.00 0.00 C ATOM 1647 O TYR A 106 12.949 -4.253 -4.477 1.00 0.00 O ATOM 1648 CB TYR A 106 15.502 -3.664 -3.209 1.00 0.00 C ATOM 1649 CG TYR A 106 15.406 -2.274 -3.800 1.00 0.00 C ATOM 1650 CD1 TYR A 106 15.219 -1.166 -2.962 1.00 0.00 C ATOM 1651 CD2 TYR A 106 15.494 -2.090 -5.187 1.00 0.00 C ATOM 1652 CE1 TYR A 106 15.119 0.116 -3.510 1.00 0.00 C ATOM 1653 CE2 TYR A 106 15.397 -0.806 -5.734 1.00 0.00 C ATOM 1654 CZ TYR A 106 15.208 0.296 -4.894 1.00 0.00 C ATOM 1655 OH TYR A 106 15.108 1.564 -5.428 1.00 0.00 O ATOM 0 H TYR A 106 14.340 -6.065 -2.741 1.00 0.00 H new ATOM 0 HA TYR A 106 14.130 -3.338 -1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 106 16.358 -3.726 -2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 106 15.665 -4.396 -4.000 1.00 0.00 H new ATOM 0 HD1 TYR A 106 15.152 -1.303 -1.893 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.637 -2.942 -5.835 1.00 0.00 H new ATOM 0 HE1 TYR A 106 14.973 0.969 -2.864 1.00 0.00 H new ATOM 0 HE2 TYR A 106 15.468 -0.666 -6.803 1.00 0.00 H new ATOM 0 HH TYR A 106 15.854 1.719 -6.044 1.00 0.00 H new ATOM 1665 N CYS A 107 12.030 -3.003 -2.836 1.00 0.00 N ATOM 1666 CA CYS A 107 10.817 -2.698 -3.597 1.00 0.00 C ATOM 1667 C CYS A 107 10.823 -1.247 -4.051 1.00 0.00 C ATOM 1668 O CYS A 107 10.794 -0.328 -3.230 1.00 0.00 O ATOM 1669 CB CYS A 107 9.580 -2.971 -2.742 1.00 0.00 C ATOM 1670 SG CYS A 107 8.146 -3.188 -3.824 1.00 0.00 S ATOM 0 H CYS A 107 12.058 -2.592 -1.903 1.00 0.00 H new ATOM 0 HA CYS A 107 10.791 -3.339 -4.478 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.732 -3.864 -2.136 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.409 -2.144 -2.053 1.00 0.00 H new ATOM 0 HG CYS A 107 7.090 -3.423 -3.103 1.00 0.00 H new ATOM 1676 N SER A 108 10.864 -1.045 -5.364 1.00 0.00 N ATOM 1677 CA SER A 108 10.874 0.308 -5.913 1.00 0.00 C ATOM 1678 C SER A 108 10.739 0.270 -7.429 1.00 0.00 C ATOM 1679 O SER A 108 10.695 -0.802 -8.032 1.00 0.00 O ATOM 1680 CB SER A 108 12.169 1.029 -5.532 1.00 0.00 C ATOM 1681 OG SER A 108 12.001 2.428 -5.717 1.00 0.00 O ATOM 0 H SER A 108 10.891 -1.790 -6.061 1.00 0.00 H new ATOM 0 HA SER A 108 10.026 0.850 -5.494 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.425 0.816 -4.494 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.994 0.666 -6.145 1.00 0.00 H new ATOM 0 HG SER A 108 12.829 2.892 -5.472 1.00 0.00 H new ATOM 1687 N PHE A 109 10.680 1.449 -8.045 1.00 0.00 N ATOM 1688 CA PHE A 109 10.559 1.543 -9.497 1.00 0.00 C ATOM 1689 C PHE A 109 11.934 1.580 -10.148 1.00 0.00 C ATOM 1690 O PHE A 109 12.161 2.329 -11.095 1.00 0.00 O ATOM 1691 CB PHE A 109 9.779 2.800 -9.875 1.00 0.00 C ATOM 1692 CG PHE A 109 10.433 4.009 -9.250 1.00 0.00 C ATOM 1693 CD1 PHE A 109 10.184 4.321 -7.909 1.00 0.00 C ATOM 1694 CD2 PHE A 109 11.288 4.818 -10.009 1.00 0.00 C ATOM 1695 CE1 PHE A 109 10.789 5.439 -7.326 1.00 0.00 C ATOM 1696 CE2 PHE A 109 11.894 5.936 -9.427 1.00 0.00 C ATOM 1697 CZ PHE A 109 11.645 6.248 -8.085 1.00 0.00 C ATOM 0 H PHE A 109 10.714 2.348 -7.564 1.00 0.00 H new ATOM 0 HA PHE A 109 10.025 0.663 -9.856 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.749 2.910 -10.959 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.747 2.716 -9.535 1.00 0.00 H new ATOM 0 HD1 PHE A 109 9.524 3.698 -7.324 1.00 0.00 H new ATOM 0 HD2 PHE A 109 11.479 4.578 -11.045 1.00 0.00 H new ATOM 0 HE1 PHE A 109 10.596 5.679 -6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 109 12.554 6.559 -10.013 1.00 0.00 H new ATOM 0 HZ PHE A 109 12.112 7.112 -7.635 1.00 0.00 H new ATOM 1707 N SER A 110 12.851 0.760 -9.635 1.00 0.00 N ATOM 1708 CA SER A 110 14.213 0.701 -10.177 1.00 0.00 C ATOM 1709 C SER A 110 14.678 -0.742 -10.289 1.00 0.00 C ATOM 1710 O SER A 110 14.811 -1.444 -9.287 1.00 0.00 O ATOM 1711 CB SER A 110 15.165 1.478 -9.273 1.00 0.00 C ATOM 1712 OG SER A 110 14.830 2.859 -9.317 1.00 0.00 O ATOM 0 H SER A 110 12.680 0.131 -8.851 1.00 0.00 H new ATOM 0 HA SER A 110 14.211 1.148 -11.171 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.097 1.108 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 110 16.195 1.331 -9.598 1.00 0.00 H new ATOM 0 HG SER A 110 15.438 3.362 -8.736 1.00 0.00 H new ATOM 1718 N ALA A 111 14.917 -1.177 -11.518 1.00 0.00 N ATOM 1719 CA ALA A 111 15.354 -2.541 -11.759 1.00 0.00 C ATOM 1720 C ALA A 111 16.703 -2.801 -11.081 1.00 0.00 C ATOM 1721 O ALA A 111 17.356 -1.870 -10.602 1.00 0.00 O ATOM 1722 CB ALA A 111 15.465 -2.810 -13.281 1.00 0.00 C ATOM 0 H ALA A 111 14.816 -0.607 -12.358 1.00 0.00 H new ATOM 0 HA ALA A 111 14.613 -3.219 -11.334 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.794 -3.836 -13.446 1.00 0.00 H new ATOM 0 HB2 ALA A 111 14.492 -2.661 -13.749 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.188 -2.123 -13.720 1.00 0.00 H new ATOM 1728 N PRO A 112 17.133 -4.039 -11.046 1.00 0.00 N ATOM 1729 CA PRO A 112 18.440 -4.416 -10.428 1.00 0.00 C ATOM 1730 C PRO A 112 19.610 -3.619 -11.013 1.00 0.00 C ATOM 1731 O PRO A 112 20.490 -3.164 -10.284 1.00 0.00 O ATOM 1732 CB PRO A 112 18.582 -5.916 -10.764 1.00 0.00 C ATOM 1733 CG PRO A 112 17.189 -6.399 -11.005 1.00 0.00 C ATOM 1734 CD PRO A 112 16.427 -5.215 -11.591 1.00 0.00 C ATOM 0 HA PRO A 112 18.460 -4.206 -9.359 1.00 0.00 H new ATOM 0 HB2 PRO A 112 19.208 -6.065 -11.644 1.00 0.00 H new ATOM 0 HB3 PRO A 112 19.051 -6.460 -9.944 1.00 0.00 H new ATOM 0 HG2 PRO A 112 17.183 -7.245 -11.692 1.00 0.00 H new ATOM 0 HG3 PRO A 112 16.728 -6.739 -10.077 1.00 0.00 H new ATOM 0 HD2 PRO A 112 16.448 -5.225 -12.681 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.379 -5.226 -11.293 1.00 0.00 H new ATOM 1742 N ASP A 113 19.611 -3.464 -12.337 1.00 0.00 N ATOM 1743 CA ASP A 113 20.676 -2.730 -13.020 1.00 0.00 C ATOM 1744 C ASP A 113 20.283 -1.272 -13.212 1.00 0.00 C ATOM 1745 O ASP A 113 20.927 -0.539 -13.966 1.00 0.00 O ATOM 1746 CB ASP A 113 20.966 -3.371 -14.379 1.00 0.00 C ATOM 1747 CG ASP A 113 21.547 -4.768 -14.186 1.00 0.00 C ATOM 1748 OD1 ASP A 113 21.956 -5.069 -13.077 1.00 0.00 O ATOM 1749 OD2 ASP A 113 21.573 -5.515 -15.149 1.00 0.00 O ATOM 0 H ASP A 113 18.890 -3.835 -12.955 1.00 0.00 H new ATOM 0 HA ASP A 113 21.574 -2.772 -12.403 1.00 0.00 H new ATOM 0 HB2 ASP A 113 20.049 -3.428 -14.966 1.00 0.00 H new ATOM 0 HB3 ASP A 113 21.666 -2.752 -14.940 1.00 0.00 H new ATOM 1754 N ASP A 114 19.222 -0.855 -12.529 1.00 0.00 N ATOM 1755 CA ASP A 114 18.751 0.520 -12.633 1.00 0.00 C ATOM 1756 C ASP A 114 18.619 0.931 -14.096 1.00 0.00 C ATOM 1757 O ASP A 114 19.233 1.915 -14.472 1.00 0.00 O ATOM 1758 CB ASP A 114 19.725 1.463 -11.923 1.00 0.00 C ATOM 1759 CG ASP A 114 19.645 1.258 -10.413 1.00 0.00 C ATOM 1760 OD1 ASP A 114 18.682 0.654 -9.968 1.00 0.00 O ATOM 1761 OD2 ASP A 114 20.548 1.702 -9.726 1.00 0.00 O ATOM 0 H ASP A 114 18.676 -1.445 -11.902 1.00 0.00 H new ATOM 0 HA ASP A 114 17.772 0.585 -12.158 1.00 0.00 H new ATOM 0 HB2 ASP A 114 20.742 1.277 -12.270 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.488 2.498 -12.171 1.00 0.00 H new TER 1766 ASP A 114