USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 816 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 Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 143:sc= -0.655 (180deg=-2.02!) USER MOD Single : A 5 GLN : amide:sc= 0.852 K(o=0.85,f=-6.6!) USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= -0.0141 (180deg=-0.117) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 133:sc= -0.172 (180deg=-0.862) USER MOD Single : A 13 GLN : amide:sc= 1.29 K(o=1.3,f=-10!) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0661) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0.912 (180deg=0.846) USER MOD Single : A 22 THR OG1 : rot 37:sc= 0.275 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0.0495 K(o=0.049,f=-6.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 80:sc= 1.12 USER MOD Single : A 35 CYS SG : rot 180:sc=-0.00713 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= -0.0098 (180deg=-0.138) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 39:sc= 0.012 USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 1.32 (180deg=1.2) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.303 K(o=-0.3,f=-6.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 167:sc= -1.04 USER MOD Single : A 73 SER OG : rot 180:sc= 0.209 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 15:sc= -0.252 USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0.802 (180deg=0.783) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.045 USER MOD Single : A 80 THR OG1 : rot -20:sc= 0.49 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 174:sc=-0.00762 (180deg=-0.0849) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -166:sc= -0.0663 (180deg=-0.337) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -21.175 14.220 24.161 1.00 0.00 N ATOM 2 CA GLU A 1 -20.341 14.595 23.037 1.00 0.00 C ATOM 3 C GLU A 1 -20.374 13.482 21.997 1.00 0.00 C ATOM 4 O GLU A 1 -19.851 12.378 22.225 1.00 0.00 O ATOM 5 CB GLU A 1 -18.906 14.859 23.525 1.00 0.00 C ATOM 6 CG GLU A 1 -17.958 15.334 22.456 1.00 0.00 C ATOM 7 CD GLU A 1 -18.461 16.569 21.770 1.00 0.00 C ATOM 8 OE1 GLU A 1 -18.344 17.669 22.333 1.00 0.00 O ATOM 9 OE2 GLU A 1 -18.995 16.456 20.650 1.00 0.00 O ATOM 0 H1 GLU A 1 -21.156 14.976 24.875 1.00 0.00 H new ATOM 0 H2 GLU A 1 -22.152 14.075 23.835 1.00 0.00 H new ATOM 0 H3 GLU A 1 -20.816 13.339 24.581 1.00 0.00 H new ATOM 0 HA GLU A 1 -20.716 15.510 22.578 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -18.938 15.603 24.321 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -18.510 13.942 23.962 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.983 15.537 22.899 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -17.815 14.543 21.720 1.00 0.00 H new ATOM 18 N LYS A 2 -20.989 13.754 20.867 1.00 0.00 N ATOM 19 CA LYS A 2 -21.131 12.768 19.831 1.00 0.00 C ATOM 20 C LYS A 2 -21.244 13.437 18.476 1.00 0.00 C ATOM 21 O LYS A 2 -21.978 14.411 18.318 1.00 0.00 O ATOM 22 CB LYS A 2 -22.386 11.914 20.073 1.00 0.00 C ATOM 23 CG LYS A 2 -22.642 10.885 18.989 1.00 0.00 C ATOM 24 CD LYS A 2 -23.949 10.161 19.190 1.00 0.00 C ATOM 25 CE LYS A 2 -24.212 9.204 18.043 1.00 0.00 C ATOM 26 NZ LYS A 2 -25.514 8.537 18.170 1.00 0.00 N ATOM 0 H LYS A 2 -21.401 14.661 20.646 1.00 0.00 H new ATOM 0 HA LYS A 2 -20.247 12.130 19.849 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.288 11.403 21.031 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -23.252 12.571 20.150 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -22.647 11.377 18.017 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.826 10.162 18.976 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -23.925 9.611 20.131 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -24.763 10.882 19.263 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -24.175 9.749 17.100 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -23.422 8.454 18.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -25.654 7.892 17.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -25.541 7.995 19.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -26.270 9.251 18.177 1.00 0.00 H new ATOM 40 N LYS A 3 -20.524 12.929 17.520 1.00 0.00 N ATOM 41 CA LYS A 3 -20.648 13.377 16.162 1.00 0.00 C ATOM 42 C LYS A 3 -20.983 12.195 15.285 1.00 0.00 C ATOM 43 O LYS A 3 -20.187 11.261 15.158 1.00 0.00 O ATOM 44 CB LYS A 3 -19.397 14.119 15.658 1.00 0.00 C ATOM 45 CG LYS A 3 -19.208 15.499 16.282 1.00 0.00 C ATOM 46 CD LYS A 3 -18.038 16.288 15.668 1.00 0.00 C ATOM 47 CE LYS A 3 -16.651 15.879 16.188 1.00 0.00 C ATOM 48 NZ LYS A 3 -16.261 14.488 15.875 1.00 0.00 N ATOM 0 H LYS A 3 -19.833 12.192 17.658 1.00 0.00 H new ATOM 0 HA LYS A 3 -21.455 14.108 16.117 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.516 13.512 15.868 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -19.460 14.225 14.575 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -20.127 16.073 16.163 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -19.039 15.386 17.353 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.058 16.160 14.586 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.188 17.349 15.867 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.906 16.554 15.767 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -16.629 16.014 17.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.243 14.452 15.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.467 13.878 16.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.798 14.154 15.049 1.00 0.00 H new ATOM 62 N GLU A 4 -22.175 12.219 14.717 1.00 0.00 N ATOM 63 CA GLU A 4 -22.675 11.135 13.868 1.00 0.00 C ATOM 64 C GLU A 4 -21.924 11.034 12.554 1.00 0.00 C ATOM 65 O GLU A 4 -22.099 10.068 11.806 1.00 0.00 O ATOM 66 CB GLU A 4 -24.158 11.300 13.632 1.00 0.00 C ATOM 67 CG GLU A 4 -24.978 11.131 14.884 1.00 0.00 C ATOM 68 CD GLU A 4 -26.392 11.546 14.687 1.00 0.00 C ATOM 69 OE1 GLU A 4 -26.697 12.737 14.894 1.00 0.00 O ATOM 70 OE2 GLU A 4 -27.238 10.701 14.335 1.00 0.00 O ATOM 0 H GLU A 4 -22.832 12.991 14.828 1.00 0.00 H new ATOM 0 HA GLU A 4 -22.501 10.199 14.398 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -24.345 12.289 13.213 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -24.485 10.572 12.890 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -24.947 10.088 15.199 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -24.537 11.720 15.688 1.00 0.00 H new ATOM 77 N GLN A 5 -21.128 12.042 12.263 1.00 0.00 N ATOM 78 CA GLN A 5 -20.262 12.036 11.122 1.00 0.00 C ATOM 79 C GLN A 5 -19.156 11.032 11.377 1.00 0.00 C ATOM 80 O GLN A 5 -18.149 11.332 12.039 1.00 0.00 O ATOM 81 CB GLN A 5 -19.660 13.428 10.832 1.00 0.00 C ATOM 82 CG GLN A 5 -20.674 14.539 10.566 1.00 0.00 C ATOM 83 CD GLN A 5 -21.221 15.217 11.819 1.00 0.00 C ATOM 84 OE1 GLN A 5 -21.315 14.631 12.894 1.00 0.00 O ATOM 85 NE2 GLN A 5 -21.609 16.445 11.673 1.00 0.00 N ATOM 0 H GLN A 5 -21.070 12.893 12.823 1.00 0.00 H new ATOM 0 HA GLN A 5 -20.845 11.761 10.243 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.040 13.721 11.680 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -19.001 13.347 9.968 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -20.207 15.295 9.935 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -21.508 14.123 10.001 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -21.518 16.904 10.767 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -22.006 16.952 12.464 1.00 0.00 H new ATOM 94 N LYS A 6 -19.383 9.845 10.918 1.00 0.00 N ATOM 95 CA LYS A 6 -18.499 8.746 11.137 1.00 0.00 C ATOM 96 C LYS A 6 -17.416 8.761 10.109 1.00 0.00 C ATOM 97 O LYS A 6 -17.686 8.878 8.910 1.00 0.00 O ATOM 98 CB LYS A 6 -19.277 7.433 11.029 1.00 0.00 C ATOM 99 CG LYS A 6 -20.445 7.329 11.994 1.00 0.00 C ATOM 100 CD LYS A 6 -21.289 6.091 11.734 1.00 0.00 C ATOM 101 CE LYS A 6 -21.899 6.092 10.331 1.00 0.00 C ATOM 102 NZ LYS A 6 -22.753 7.278 10.074 1.00 0.00 N ATOM 0 H LYS A 6 -20.208 9.606 10.367 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.060 8.831 12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -19.649 7.325 10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.595 6.602 11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -20.069 7.304 13.017 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.069 8.218 11.906 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.673 5.200 11.860 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.086 6.035 12.475 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -21.098 6.060 9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -22.492 5.187 10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -23.259 7.153 9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -23.442 7.384 10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -22.158 8.129 10.022 1.00 0.00 H new ATOM 116 N GLU A 7 -16.216 8.674 10.554 1.00 0.00 N ATOM 117 CA GLU A 7 -15.104 8.580 9.670 1.00 0.00 C ATOM 118 C GLU A 7 -14.922 7.116 9.357 1.00 0.00 C ATOM 119 O GLU A 7 -14.542 6.338 10.237 1.00 0.00 O ATOM 120 CB GLU A 7 -13.855 9.157 10.328 1.00 0.00 C ATOM 121 CG GLU A 7 -14.000 10.614 10.732 1.00 0.00 C ATOM 122 CD GLU A 7 -12.787 11.137 11.444 1.00 0.00 C ATOM 123 OE1 GLU A 7 -11.865 11.645 10.779 1.00 0.00 O ATOM 124 OE2 GLU A 7 -12.733 11.060 12.689 1.00 0.00 O ATOM 0 H GLU A 7 -15.972 8.666 11.544 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.275 9.149 8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.613 8.566 11.211 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.015 9.061 9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.184 11.217 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.871 10.724 11.377 1.00 0.00 H new ATOM 131 N LYS A 8 -15.279 6.719 8.162 1.00 0.00 N ATOM 132 CA LYS A 8 -15.179 5.331 7.792 1.00 0.00 C ATOM 133 C LYS A 8 -14.343 5.165 6.539 1.00 0.00 C ATOM 134 O LYS A 8 -14.687 5.664 5.460 1.00 0.00 O ATOM 135 CB LYS A 8 -16.569 4.670 7.629 1.00 0.00 C ATOM 136 CG LYS A 8 -16.495 3.162 7.350 1.00 0.00 C ATOM 137 CD LYS A 8 -17.870 2.498 7.216 1.00 0.00 C ATOM 138 CE LYS A 8 -18.670 3.046 6.039 1.00 0.00 C ATOM 139 NZ LYS A 8 -19.940 2.306 5.836 1.00 0.00 N ATOM 0 H LYS A 8 -15.640 7.334 7.432 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.676 4.814 8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.151 4.837 8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.102 5.158 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.930 2.997 6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.943 2.678 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -17.740 1.423 7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.434 2.649 8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.888 4.100 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.067 2.987 5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.452 2.711 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.732 1.304 5.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.527 2.383 6.691 1.00 0.00 H new ATOM 153 N GLU A 9 -13.242 4.499 6.706 1.00 0.00 N ATOM 154 CA GLU A 9 -12.328 4.177 5.631 1.00 0.00 C ATOM 155 C GLU A 9 -12.808 2.845 5.025 1.00 0.00 C ATOM 156 O GLU A 9 -13.960 2.445 5.215 1.00 0.00 O ATOM 157 CB GLU A 9 -10.890 3.942 6.206 1.00 0.00 C ATOM 158 CG GLU A 9 -10.328 4.976 7.198 1.00 0.00 C ATOM 159 CD GLU A 9 -10.992 4.938 8.568 1.00 0.00 C ATOM 160 OE1 GLU A 9 -10.791 3.954 9.327 1.00 0.00 O ATOM 161 OE2 GLU A 9 -11.754 5.859 8.893 1.00 0.00 O ATOM 0 H GLU A 9 -12.938 4.151 7.615 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.302 4.985 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.883 2.969 6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.201 3.879 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.258 4.806 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.447 5.973 6.775 1.00 0.00 H new ATOM 168 N LYS A 10 -11.922 2.136 4.349 1.00 0.00 N ATOM 169 CA LYS A 10 -12.198 0.756 3.928 1.00 0.00 C ATOM 170 C LYS A 10 -11.583 -0.134 5.001 1.00 0.00 C ATOM 171 O LYS A 10 -11.485 -1.364 4.886 1.00 0.00 O ATOM 172 CB LYS A 10 -11.557 0.455 2.564 1.00 0.00 C ATOM 173 CG LYS A 10 -12.102 1.292 1.417 1.00 0.00 C ATOM 174 CD LYS A 10 -13.586 1.034 1.190 1.00 0.00 C ATOM 175 CE LYS A 10 -14.112 1.875 0.042 1.00 0.00 C ATOM 176 NZ LYS A 10 -15.547 1.638 -0.217 1.00 0.00 N ATOM 0 H LYS A 10 -11.003 2.484 4.075 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.269 0.587 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.482 0.617 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.705 -0.599 2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.944 2.349 1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.549 1.065 0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.747 -0.023 0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.142 1.263 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.955 2.930 0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.541 1.653 -0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.860 2.235 -1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.696 0.637 -0.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.097 1.875 0.633 1.00 0.00 H new ATOM 190 N LYS A 11 -11.208 0.561 6.060 1.00 0.00 N ATOM 191 CA LYS A 11 -10.530 0.091 7.213 1.00 0.00 C ATOM 192 C LYS A 11 -9.136 -0.310 6.838 1.00 0.00 C ATOM 193 O LYS A 11 -8.855 -1.449 6.485 1.00 0.00 O ATOM 194 CB LYS A 11 -11.290 -0.984 7.998 1.00 0.00 C ATOM 195 CG LYS A 11 -10.710 -1.200 9.375 1.00 0.00 C ATOM 196 CD LYS A 11 -11.587 -2.069 10.244 1.00 0.00 C ATOM 197 CE LYS A 11 -11.099 -2.006 11.677 1.00 0.00 C ATOM 198 NZ LYS A 11 -11.203 -0.631 12.226 1.00 0.00 N ATOM 0 H LYS A 11 -11.398 1.561 6.121 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.474 0.914 7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.337 -0.694 8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.265 -1.922 7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.726 -1.660 9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.566 -0.235 9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.622 -1.733 10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.566 -3.098 9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.684 -2.690 12.292 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.063 -2.341 11.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.641 -0.666 13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.253 -0.214 12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.788 -0.048 11.594 1.00 0.00 H new ATOM 212 N GLU A 12 -8.258 0.661 6.879 1.00 0.00 N ATOM 213 CA GLU A 12 -6.880 0.474 6.480 1.00 0.00 C ATOM 214 C GLU A 12 -6.122 -0.157 7.626 1.00 0.00 C ATOM 215 O GLU A 12 -5.021 -0.622 7.497 1.00 0.00 O ATOM 216 CB GLU A 12 -6.232 1.796 6.064 1.00 0.00 C ATOM 217 CG GLU A 12 -7.143 2.754 5.273 1.00 0.00 C ATOM 218 CD GLU A 12 -7.855 2.112 4.097 1.00 0.00 C ATOM 219 OE1 GLU A 12 -7.191 1.496 3.240 1.00 0.00 O ATOM 220 OE2 GLU A 12 -9.097 2.251 3.995 1.00 0.00 O ATOM 0 H GLU A 12 -8.477 1.607 7.191 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.849 -0.183 5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.884 2.309 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.352 1.576 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.889 3.170 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.543 3.588 4.908 1.00 0.00 H new ATOM 227 N GLN A 13 -6.782 -0.199 8.722 1.00 0.00 N ATOM 228 CA GLN A 13 -6.286 -0.760 9.961 1.00 0.00 C ATOM 229 C GLN A 13 -6.189 -2.286 9.849 1.00 0.00 C ATOM 230 O GLN A 13 -5.485 -2.948 10.601 1.00 0.00 O ATOM 231 CB GLN A 13 -7.190 -0.367 11.149 1.00 0.00 C ATOM 232 CG GLN A 13 -7.316 1.150 11.440 1.00 0.00 C ATOM 233 CD GLN A 13 -8.359 1.887 10.576 1.00 0.00 C ATOM 234 OE1 GLN A 13 -8.650 1.510 9.463 1.00 0.00 O ATOM 235 NE2 GLN A 13 -8.901 2.947 11.074 1.00 0.00 N ATOM 0 H GLN A 13 -7.730 0.169 8.803 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.291 -0.354 10.144 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.188 -0.765 10.966 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.810 -0.857 12.045 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.574 1.284 12.490 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.343 1.617 11.288 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.649 3.256 12.013 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.582 3.476 10.529 1.00 0.00 H new ATOM 244 N GLU A 14 -6.876 -2.808 8.883 1.00 0.00 N ATOM 245 CA GLU A 14 -6.898 -4.228 8.596 1.00 0.00 C ATOM 246 C GLU A 14 -5.607 -4.710 7.944 1.00 0.00 C ATOM 247 O GLU A 14 -5.336 -5.906 7.922 1.00 0.00 O ATOM 248 CB GLU A 14 -8.080 -4.556 7.705 1.00 0.00 C ATOM 249 CG GLU A 14 -9.415 -4.447 8.398 1.00 0.00 C ATOM 250 CD GLU A 14 -9.584 -5.499 9.460 1.00 0.00 C ATOM 251 OE1 GLU A 14 -10.056 -6.599 9.138 1.00 0.00 O ATOM 252 OE2 GLU A 14 -9.248 -5.256 10.636 1.00 0.00 O ATOM 0 H GLU A 14 -7.455 -2.255 8.250 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.994 -4.750 9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.072 -3.886 6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.963 -5.569 7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.511 -3.459 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.214 -4.542 7.663 1.00 0.00 H new ATOM 259 N ILE A 15 -4.795 -3.792 7.443 1.00 0.00 N ATOM 260 CA ILE A 15 -3.561 -4.176 6.775 1.00 0.00 C ATOM 261 C ILE A 15 -2.509 -4.519 7.812 1.00 0.00 C ATOM 262 O ILE A 15 -1.628 -5.359 7.584 1.00 0.00 O ATOM 263 CB ILE A 15 -3.057 -3.053 5.783 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.516 -1.792 6.497 1.00 0.00 C ATOM 265 CG2 ILE A 15 -4.179 -2.652 4.834 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.036 -1.807 6.824 1.00 0.00 C ATOM 0 H ILE A 15 -4.965 -2.787 7.485 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.755 -5.059 6.166 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.223 -3.488 5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.722 -0.925 5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.073 -1.654 7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.822 -1.878 4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.497 -3.521 4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.022 -2.269 5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.764 -0.876 7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.817 -2.648 7.482 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.461 -1.907 5.903 1.00 0.00 H new ATOM 278 N LYS A 16 -2.674 -3.901 8.972 1.00 0.00 N ATOM 279 CA LYS A 16 -1.759 -3.997 10.094 1.00 0.00 C ATOM 280 C LYS A 16 -1.520 -5.432 10.517 1.00 0.00 C ATOM 281 O LYS A 16 -0.396 -5.918 10.517 1.00 0.00 O ATOM 282 CB LYS A 16 -2.279 -3.169 11.266 1.00 0.00 C ATOM 283 CG LYS A 16 -2.480 -1.690 10.939 1.00 0.00 C ATOM 284 CD LYS A 16 -3.192 -0.958 12.069 1.00 0.00 C ATOM 285 CE LYS A 16 -2.368 -0.906 13.342 1.00 0.00 C ATOM 286 NZ LYS A 16 -1.167 -0.059 13.195 1.00 0.00 N ATOM 0 H LYS A 16 -3.476 -3.300 9.162 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.798 -3.597 9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.227 -3.589 11.602 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.580 -3.255 12.098 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.513 -1.223 10.755 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.060 -1.595 10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.424 0.058 11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.141 -1.452 12.275 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.984 -0.523 14.156 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.066 -1.916 13.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.699 0.043 14.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.510 -0.502 12.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.445 0.879 12.842 1.00 0.00 H new ATOM 300 N LYS A 17 -2.583 -6.115 10.805 1.00 0.00 N ATOM 301 CA LYS A 17 -2.511 -7.498 11.279 1.00 0.00 C ATOM 302 C LYS A 17 -2.490 -8.480 10.127 1.00 0.00 C ATOM 303 O LYS A 17 -2.512 -9.698 10.332 1.00 0.00 O ATOM 304 CB LYS A 17 -3.690 -7.817 12.186 1.00 0.00 C ATOM 305 CG LYS A 17 -3.759 -6.968 13.428 1.00 0.00 C ATOM 306 CD LYS A 17 -4.984 -7.290 14.260 1.00 0.00 C ATOM 307 CE LYS A 17 -6.271 -7.024 13.500 1.00 0.00 C ATOM 308 NZ LYS A 17 -7.467 -7.222 14.344 1.00 0.00 N ATOM 0 H LYS A 17 -3.531 -5.748 10.725 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.581 -7.597 11.840 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.614 -7.691 11.621 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.636 -8.866 12.478 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.861 -7.125 14.026 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.776 -5.915 13.148 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.952 -8.336 14.564 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.971 -6.693 15.172 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.262 -6.003 13.119 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.324 -7.686 12.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.322 -7.030 13.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.491 -8.203 14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.431 -6.572 15.155 1.00 0.00 H new ATOM 322 N LYS A 18 -2.447 -7.974 8.925 1.00 0.00 N ATOM 323 CA LYS A 18 -2.437 -8.833 7.788 1.00 0.00 C ATOM 324 C LYS A 18 -0.993 -9.071 7.368 1.00 0.00 C ATOM 325 O LYS A 18 -0.549 -10.213 7.257 1.00 0.00 O ATOM 326 CB LYS A 18 -3.214 -8.209 6.641 1.00 0.00 C ATOM 327 CG LYS A 18 -3.705 -9.204 5.594 1.00 0.00 C ATOM 328 CD LYS A 18 -4.934 -9.972 6.084 1.00 0.00 C ATOM 329 CE LYS A 18 -6.111 -9.020 6.340 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.346 -9.728 6.746 1.00 0.00 N ATOM 0 H LYS A 18 -2.419 -6.976 8.715 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.912 -9.780 8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.073 -7.676 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.582 -7.468 6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.949 -8.674 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.907 -9.907 5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.220 -10.719 5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.690 -10.509 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.834 -8.308 7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.309 -8.444 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.106 -9.036 6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.630 -10.388 5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.170 -10.257 7.624 1.00 0.00 H new ATOM 344 N PHE A 19 -0.251 -7.988 7.168 1.00 0.00 N ATOM 345 CA PHE A 19 1.133 -8.095 6.732 1.00 0.00 C ATOM 346 C PHE A 19 2.061 -8.168 7.957 1.00 0.00 C ATOM 347 O PHE A 19 3.152 -8.735 7.881 1.00 0.00 O ATOM 348 CB PHE A 19 1.495 -6.886 5.848 1.00 0.00 C ATOM 349 CG PHE A 19 2.691 -7.089 4.959 1.00 0.00 C ATOM 350 CD1 PHE A 19 3.952 -6.839 5.417 1.00 0.00 C ATOM 351 CD2 PHE A 19 2.538 -7.495 3.651 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.041 -6.981 4.602 1.00 0.00 C ATOM 353 CE2 PHE A 19 3.635 -7.647 2.831 1.00 0.00 C ATOM 354 CZ PHE A 19 4.902 -7.380 3.321 1.00 0.00 C ATOM 0 H PHE A 19 -0.583 -7.033 7.300 1.00 0.00 H new ATOM 0 HA PHE A 19 1.260 -9.005 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.635 -6.639 5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.680 -6.026 6.492 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.092 -6.524 6.440 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.549 -7.696 3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.027 -6.771 4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.507 -7.973 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.768 -7.490 2.686 1.00 0.00 H new ATOM 364 N LYS A 20 1.574 -7.621 9.081 1.00 0.00 N ATOM 365 CA LYS A 20 2.292 -7.545 10.368 1.00 0.00 C ATOM 366 C LYS A 20 3.438 -6.543 10.285 1.00 0.00 C ATOM 367 O LYS A 20 4.578 -6.884 9.946 1.00 0.00 O ATOM 368 CB LYS A 20 2.775 -8.925 10.872 1.00 0.00 C ATOM 369 CG LYS A 20 3.372 -8.918 12.277 1.00 0.00 C ATOM 370 CD LYS A 20 4.000 -10.265 12.624 1.00 0.00 C ATOM 371 CE LYS A 20 5.244 -10.548 11.776 1.00 0.00 C ATOM 372 NZ LYS A 20 6.342 -9.607 12.076 1.00 0.00 N ATOM 0 H LYS A 20 0.643 -7.207 9.124 1.00 0.00 H new ATOM 0 HA LYS A 20 1.578 -7.190 11.111 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.934 -9.618 10.853 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.521 -9.310 10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.126 -8.134 12.349 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.594 -8.680 13.003 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.269 -10.279 13.680 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.268 -11.058 12.471 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.581 -11.569 11.956 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.986 -10.480 10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.201 -9.904 11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.073 -8.650 11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.526 -9.604 13.100 1.00 0.00 H new ATOM 386 N LEU A 21 3.125 -5.295 10.545 1.00 0.00 N ATOM 387 CA LEU A 21 4.110 -4.243 10.423 1.00 0.00 C ATOM 388 C LEU A 21 4.692 -3.882 11.757 1.00 0.00 C ATOM 389 O LEU A 21 5.913 -3.880 11.928 1.00 0.00 O ATOM 390 CB LEU A 21 3.548 -2.995 9.729 1.00 0.00 C ATOM 391 CG LEU A 21 2.905 -3.209 8.339 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.753 -4.136 7.520 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.456 -3.715 8.400 1.00 0.00 C ATOM 0 H LEU A 21 2.200 -4.983 10.841 1.00 0.00 H new ATOM 0 HA LEU A 21 4.907 -4.638 9.792 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.802 -2.547 10.385 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.356 -2.271 9.623 1.00 0.00 H new ATOM 0 HG LEU A 21 2.859 -2.229 7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.293 -4.282 6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.746 -3.704 7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.837 -5.097 8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.072 -3.841 7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.426 -4.672 8.922 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.840 -2.991 8.934 1.00 0.00 H new ATOM 405 N THR A 22 3.812 -3.584 12.686 1.00 0.00 N ATOM 406 CA THR A 22 4.131 -3.203 14.056 1.00 0.00 C ATOM 407 C THR A 22 5.100 -2.012 14.156 1.00 0.00 C ATOM 408 O THR A 22 6.335 -2.160 14.115 1.00 0.00 O ATOM 409 CB THR A 22 4.555 -4.412 14.933 1.00 0.00 C ATOM 410 OG1 THR A 22 5.633 -5.148 14.316 1.00 0.00 O ATOM 411 CG2 THR A 22 3.369 -5.337 15.125 1.00 0.00 C ATOM 0 H THR A 22 2.808 -3.599 12.506 1.00 0.00 H new ATOM 0 HA THR A 22 3.195 -2.839 14.480 1.00 0.00 H new ATOM 0 HB THR A 22 4.898 -4.033 15.896 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.238 -4.524 13.864 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.666 -6.186 15.741 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.562 -4.796 15.618 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.026 -5.695 14.154 1.00 0.00 H new ATOM 419 N GLY A 23 4.522 -0.846 14.231 1.00 0.00 N ATOM 420 CA GLY A 23 5.260 0.377 14.306 1.00 0.00 C ATOM 421 C GLY A 23 5.211 1.109 12.987 1.00 0.00 C ATOM 422 O GLY A 23 5.301 0.467 11.931 1.00 0.00 O ATOM 0 H GLY A 23 3.510 -0.720 14.242 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.849 1.008 15.094 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.296 0.167 14.573 1.00 0.00 H new ATOM 426 N PRO A 24 5.027 2.435 12.994 1.00 0.00 N ATOM 427 CA PRO A 24 4.989 3.218 11.772 1.00 0.00 C ATOM 428 C PRO A 24 6.355 3.274 11.109 1.00 0.00 C ATOM 429 O PRO A 24 7.389 3.535 11.761 1.00 0.00 O ATOM 430 CB PRO A 24 4.560 4.611 12.226 1.00 0.00 C ATOM 431 CG PRO A 24 4.933 4.674 13.657 1.00 0.00 C ATOM 432 CD PRO A 24 4.834 3.269 14.185 1.00 0.00 C ATOM 0 HA PRO A 24 4.312 2.787 11.034 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.065 5.387 11.651 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.489 4.759 12.090 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.944 5.064 13.778 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.266 5.342 14.203 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.595 3.071 14.940 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.866 3.084 14.651 1.00 0.00 H new ATOM 440 N ILE A 25 6.362 3.040 9.853 1.00 0.00 N ATOM 441 CA ILE A 25 7.580 3.006 9.104 1.00 0.00 C ATOM 442 C ILE A 25 7.473 3.964 7.933 1.00 0.00 C ATOM 443 O ILE A 25 6.368 4.257 7.461 1.00 0.00 O ATOM 444 CB ILE A 25 7.921 1.556 8.626 1.00 0.00 C ATOM 445 CG1 ILE A 25 9.299 1.522 7.936 1.00 0.00 C ATOM 446 CG2 ILE A 25 6.822 1.004 7.706 1.00 0.00 C ATOM 447 CD1 ILE A 25 9.761 0.158 7.522 1.00 0.00 C ATOM 0 H ILE A 25 5.522 2.864 9.301 1.00 0.00 H new ATOM 0 HA ILE A 25 8.400 3.322 9.749 1.00 0.00 H new ATOM 0 HB ILE A 25 7.968 0.910 9.503 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.264 2.162 7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.039 1.951 8.612 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.086 -0.005 7.389 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.875 0.979 8.245 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.725 1.645 6.830 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.739 0.234 7.046 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.834 -0.484 8.400 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.047 -0.270 6.818 1.00 0.00 H new ATOM 459 N GLN A 26 8.589 4.473 7.497 1.00 0.00 N ATOM 460 CA GLN A 26 8.608 5.383 6.395 1.00 0.00 C ATOM 461 C GLN A 26 8.685 4.594 5.103 1.00 0.00 C ATOM 462 O GLN A 26 8.857 3.369 5.129 1.00 0.00 O ATOM 463 CB GLN A 26 9.792 6.339 6.499 1.00 0.00 C ATOM 464 CG GLN A 26 11.145 5.691 6.304 1.00 0.00 C ATOM 465 CD GLN A 26 12.257 6.686 6.419 1.00 0.00 C ATOM 466 OE1 GLN A 26 12.646 7.318 5.435 1.00 0.00 O ATOM 467 NE2 GLN A 26 12.772 6.841 7.602 1.00 0.00 N ATOM 0 H GLN A 26 9.506 4.269 7.895 1.00 0.00 H new ATOM 0 HA GLN A 26 7.695 5.978 6.410 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.671 7.128 5.756 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.771 6.817 7.478 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.282 4.905 7.046 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.183 5.215 5.324 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.418 6.296 8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.530 7.508 7.745 1.00 0.00 H new ATOM 476 N VAL A 27 8.544 5.264 3.994 1.00 0.00 N ATOM 477 CA VAL A 27 8.670 4.602 2.733 1.00 0.00 C ATOM 478 C VAL A 27 10.126 4.244 2.480 1.00 0.00 C ATOM 479 O VAL A 27 11.033 5.075 2.639 1.00 0.00 O ATOM 480 CB VAL A 27 8.079 5.422 1.556 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.703 6.784 1.449 1.00 0.00 C ATOM 482 CG2 VAL A 27 8.250 4.689 0.257 1.00 0.00 C ATOM 0 H VAL A 27 8.343 6.263 3.940 1.00 0.00 H new ATOM 0 HA VAL A 27 8.079 3.687 2.785 1.00 0.00 H new ATOM 0 HB VAL A 27 7.017 5.550 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.259 7.323 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.527 7.338 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.776 6.681 1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.828 5.283 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.311 4.522 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.735 3.730 0.310 1.00 0.00 H new ATOM 492 N ILE A 28 10.338 3.020 2.129 1.00 0.00 N ATOM 493 CA ILE A 28 11.659 2.528 1.896 1.00 0.00 C ATOM 494 C ILE A 28 12.093 2.872 0.481 1.00 0.00 C ATOM 495 O ILE A 28 13.215 3.309 0.258 1.00 0.00 O ATOM 496 CB ILE A 28 11.734 0.984 2.123 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.273 0.618 3.548 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.141 0.449 1.868 1.00 0.00 C ATOM 499 CD1 ILE A 28 12.092 1.252 4.661 1.00 0.00 C ATOM 0 H ILE A 28 9.600 2.329 1.995 1.00 0.00 H new ATOM 0 HA ILE A 28 12.334 3.005 2.607 1.00 0.00 H new ATOM 0 HB ILE A 28 11.061 0.515 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.231 0.916 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.309 -0.466 3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.157 -0.628 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.430 0.661 0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 28 13.843 0.932 2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.696 0.939 5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 28 13.131 0.935 4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.036 2.338 4.581 1.00 0.00 H new ATOM 511 N HIS A 29 11.176 2.747 -0.469 1.00 0.00 N ATOM 512 CA HIS A 29 11.498 2.925 -1.894 1.00 0.00 C ATOM 513 C HIS A 29 10.250 3.190 -2.665 1.00 0.00 C ATOM 514 O HIS A 29 9.149 2.967 -2.162 1.00 0.00 O ATOM 515 CB HIS A 29 12.146 1.666 -2.521 1.00 0.00 C ATOM 516 CG HIS A 29 13.552 1.362 -2.123 1.00 0.00 C ATOM 517 ND1 HIS A 29 13.927 0.176 -1.531 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.684 2.052 -2.310 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.227 0.162 -1.378 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.708 1.287 -1.845 1.00 0.00 N ATOM 0 H HIS A 29 10.198 2.522 -0.286 1.00 0.00 H new ATOM 0 HA HIS A 29 12.200 3.757 -1.945 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.528 0.805 -2.268 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.116 1.773 -3.605 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.769 3.035 -2.749 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.804 -0.640 -0.941 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.694 1.548 -1.858 1.00 0.00 H new ATOM 529 N LEU A 30 10.407 3.605 -3.878 1.00 0.00 N ATOM 530 CA LEU A 30 9.295 3.829 -4.739 1.00 0.00 C ATOM 531 C LEU A 30 9.239 2.711 -5.758 1.00 0.00 C ATOM 532 O LEU A 30 10.208 2.448 -6.466 1.00 0.00 O ATOM 533 CB LEU A 30 9.344 5.206 -5.453 1.00 0.00 C ATOM 534 CG LEU A 30 9.255 6.493 -4.590 1.00 0.00 C ATOM 535 CD1 LEU A 30 8.030 6.484 -3.696 1.00 0.00 C ATOM 536 CD2 LEU A 30 10.528 6.754 -3.788 1.00 0.00 C ATOM 0 H LEU A 30 11.314 3.799 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 30 8.394 3.839 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.273 5.252 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.528 5.234 -6.175 1.00 0.00 H new ATOM 0 HG LEU A 30 9.151 7.323 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.002 7.401 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.132 6.420 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.074 5.625 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.409 7.666 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.714 5.915 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.371 6.867 -4.470 1.00 0.00 H new ATOM 548 N ALA A 31 8.159 2.018 -5.756 1.00 0.00 N ATOM 549 CA ALA A 31 7.896 0.971 -6.717 1.00 0.00 C ATOM 550 C ALA A 31 7.022 1.485 -7.831 1.00 0.00 C ATOM 551 O ALA A 31 6.240 2.399 -7.658 1.00 0.00 O ATOM 552 CB ALA A 31 7.230 -0.235 -6.071 1.00 0.00 C ATOM 0 H ALA A 31 7.408 2.153 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 31 8.859 0.657 -7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.049 -0.999 -6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.881 -0.638 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.282 0.068 -5.627 1.00 0.00 H new ATOM 558 N LYS A 32 7.169 0.918 -8.957 1.00 0.00 N ATOM 559 CA LYS A 32 6.366 1.252 -10.070 1.00 0.00 C ATOM 560 C LYS A 32 5.434 0.110 -10.285 1.00 0.00 C ATOM 561 O LYS A 32 5.855 -1.049 -10.162 1.00 0.00 O ATOM 562 CB LYS A 32 7.230 1.489 -11.308 1.00 0.00 C ATOM 563 CG LYS A 32 6.450 1.892 -12.550 1.00 0.00 C ATOM 564 CD LYS A 32 7.383 2.162 -13.708 1.00 0.00 C ATOM 565 CE LYS A 32 6.634 2.595 -14.947 1.00 0.00 C ATOM 566 NZ LYS A 32 7.554 2.889 -16.062 1.00 0.00 N ATOM 0 H LYS A 32 7.863 0.193 -9.142 1.00 0.00 H new ATOM 0 HA LYS A 32 5.813 2.174 -9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.960 2.267 -11.084 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.790 0.580 -11.525 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.751 1.100 -12.818 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.858 2.783 -12.340 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.097 2.936 -13.426 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.959 1.263 -13.928 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.939 1.810 -15.245 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.039 3.480 -14.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.006 3.183 -16.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.201 3.655 -15.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.104 2.037 -16.292 1.00 0.00 H new ATOM 580 N ALA A 33 4.173 0.394 -10.520 1.00 0.00 N ATOM 581 CA ALA A 33 3.258 -0.647 -10.857 1.00 0.00 C ATOM 582 C ALA A 33 3.678 -1.237 -12.190 1.00 0.00 C ATOM 583 O ALA A 33 3.634 -0.559 -13.208 1.00 0.00 O ATOM 584 CB ALA A 33 1.870 -0.097 -10.954 1.00 0.00 C ATOM 0 H ALA A 33 3.770 1.330 -10.482 1.00 0.00 H new ATOM 0 HA ALA A 33 3.268 -1.418 -10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.178 -0.899 -11.212 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.583 0.336 -9.996 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.837 0.673 -11.725 1.00 0.00 H new ATOM 590 N CYS A 34 4.111 -2.458 -12.162 1.00 0.00 N ATOM 591 CA CYS A 34 4.598 -3.139 -13.346 1.00 0.00 C ATOM 592 C CYS A 34 3.432 -3.778 -14.095 1.00 0.00 C ATOM 593 O CYS A 34 3.553 -4.186 -15.255 1.00 0.00 O ATOM 594 CB CYS A 34 5.609 -4.208 -12.920 1.00 0.00 C ATOM 595 SG CYS A 34 6.461 -5.050 -14.267 1.00 0.00 S ATOM 0 H CYS A 34 4.142 -3.025 -11.315 1.00 0.00 H new ATOM 0 HA CYS A 34 5.083 -2.425 -14.012 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.355 -3.742 -12.276 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.091 -4.954 -12.318 1.00 0.00 H new ATOM 0 HG CYS A 34 7.427 -4.299 -14.706 1.00 0.00 H new ATOM 601 N CYS A 35 2.310 -3.823 -13.437 1.00 0.00 N ATOM 602 CA CYS A 35 1.121 -4.421 -13.946 1.00 0.00 C ATOM 603 C CYS A 35 -0.040 -3.655 -13.340 1.00 0.00 C ATOM 604 O CYS A 35 0.142 -2.996 -12.312 1.00 0.00 O ATOM 605 CB CYS A 35 1.096 -5.901 -13.501 1.00 0.00 C ATOM 606 SG CYS A 35 -0.309 -6.872 -14.082 1.00 0.00 S ATOM 0 H CYS A 35 2.199 -3.431 -12.502 1.00 0.00 H new ATOM 0 HA CYS A 35 1.066 -4.387 -15.034 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.012 -6.380 -13.846 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.110 -5.933 -12.412 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.206 -8.091 -13.641 1.00 0.00 H new ATOM 612 N ASP A 36 -1.188 -3.666 -13.980 1.00 0.00 N ATOM 613 CA ASP A 36 -2.349 -3.012 -13.411 1.00 0.00 C ATOM 614 C ASP A 36 -3.224 -4.048 -12.749 1.00 0.00 C ATOM 615 O ASP A 36 -3.729 -4.983 -13.391 1.00 0.00 O ATOM 616 CB ASP A 36 -3.138 -2.162 -14.435 1.00 0.00 C ATOM 617 CG ASP A 36 -3.930 -2.929 -15.470 1.00 0.00 C ATOM 618 OD1 ASP A 36 -3.343 -3.380 -16.472 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.163 -3.050 -15.319 1.00 0.00 O ATOM 0 H ASP A 36 -1.344 -4.114 -14.883 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.999 -2.299 -12.665 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.825 -1.516 -13.888 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.435 -1.512 -14.955 1.00 0.00 H new ATOM 624 N VAL A 37 -3.305 -3.961 -11.469 1.00 0.00 N ATOM 625 CA VAL A 37 -4.085 -4.897 -10.701 1.00 0.00 C ATOM 626 C VAL A 37 -5.259 -4.155 -10.048 1.00 0.00 C ATOM 627 O VAL A 37 -5.235 -2.918 -9.940 1.00 0.00 O ATOM 628 CB VAL A 37 -3.210 -5.607 -9.650 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.830 -4.668 -8.579 1.00 0.00 C ATOM 630 CG2 VAL A 37 -3.869 -6.843 -9.083 1.00 0.00 C ATOM 0 H VAL A 37 -2.837 -3.244 -10.914 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.481 -5.669 -11.361 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.307 -5.946 -10.158 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.212 -5.185 -7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.268 -3.837 -9.006 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.728 -4.287 -8.094 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.208 -7.303 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.809 -6.567 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.066 -7.552 -9.887 1.00 0.00 H new ATOM 640 N LYS A 38 -6.253 -4.873 -9.600 1.00 0.00 N ATOM 641 CA LYS A 38 -7.404 -4.249 -9.011 1.00 0.00 C ATOM 642 C LYS A 38 -7.689 -4.799 -7.613 1.00 0.00 C ATOM 643 O LYS A 38 -8.804 -4.666 -7.093 1.00 0.00 O ATOM 644 CB LYS A 38 -8.588 -4.399 -9.952 1.00 0.00 C ATOM 645 CG LYS A 38 -8.920 -5.832 -10.294 1.00 0.00 C ATOM 646 CD LYS A 38 -9.783 -5.916 -11.521 1.00 0.00 C ATOM 647 CE LYS A 38 -11.103 -5.183 -11.348 1.00 0.00 C ATOM 648 NZ LYS A 38 -11.972 -5.338 -12.525 1.00 0.00 N ATOM 0 H LYS A 38 -6.288 -5.892 -9.632 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.209 -3.185 -8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.462 -3.932 -9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.379 -3.855 -10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.999 -6.392 -10.456 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.433 -6.299 -9.453 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.245 -5.496 -12.371 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.979 -6.963 -11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.616 -5.562 -10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.911 -4.124 -11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.863 -4.824 -12.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.492 -4.953 -13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.176 -6.347 -12.675 1.00 0.00 H new ATOM 662 N GLY A 39 -6.672 -5.377 -6.994 1.00 0.00 N ATOM 663 CA GLY A 39 -6.809 -5.839 -5.625 1.00 0.00 C ATOM 664 C GLY A 39 -7.393 -7.230 -5.481 1.00 0.00 C ATOM 665 O GLY A 39 -8.459 -7.396 -4.893 1.00 0.00 O ATOM 0 H GLY A 39 -5.755 -5.535 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.828 -5.821 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.440 -5.137 -5.080 1.00 0.00 H new ATOM 669 N GLY A 40 -6.747 -8.205 -6.044 1.00 0.00 N ATOM 670 CA GLY A 40 -7.207 -9.570 -5.901 1.00 0.00 C ATOM 671 C GLY A 40 -6.457 -10.277 -4.790 1.00 0.00 C ATOM 672 O GLY A 40 -5.232 -10.087 -4.659 1.00 0.00 O ATOM 0 H GLY A 40 -5.903 -8.092 -6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.276 -9.578 -5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.066 -10.106 -6.839 1.00 0.00 H new ATOM 676 N LYS A 41 -7.182 -11.069 -3.977 1.00 0.00 N ATOM 677 CA LYS A 41 -6.608 -11.827 -2.839 1.00 0.00 C ATOM 678 C LYS A 41 -6.127 -10.830 -1.767 1.00 0.00 C ATOM 679 O LYS A 41 -5.186 -11.093 -1.001 1.00 0.00 O ATOM 680 CB LYS A 41 -5.466 -12.762 -3.349 1.00 0.00 C ATOM 681 CG LYS A 41 -4.840 -13.695 -2.314 1.00 0.00 C ATOM 682 CD LYS A 41 -3.736 -14.541 -2.932 1.00 0.00 C ATOM 683 CE LYS A 41 -4.282 -15.560 -3.923 1.00 0.00 C ATOM 684 NZ LYS A 41 -5.074 -16.605 -3.250 1.00 0.00 N ATOM 0 H LYS A 41 -8.187 -11.204 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.361 -12.469 -2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.860 -13.370 -4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.676 -12.139 -3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.434 -13.108 -1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.608 -14.345 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.022 -13.891 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.192 -15.059 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.902 -15.053 -4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.455 -16.021 -4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.257 -17.384 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.546 -16.966 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.978 -16.203 -2.930 1.00 0.00 H new ATOM 698 N ASN A 42 -6.867 -9.725 -1.672 1.00 0.00 N ATOM 699 CA ASN A 42 -6.540 -8.587 -0.815 1.00 0.00 C ATOM 700 C ASN A 42 -5.225 -7.989 -1.225 1.00 0.00 C ATOM 701 O ASN A 42 -4.171 -8.345 -0.714 1.00 0.00 O ATOM 702 CB ASN A 42 -6.584 -8.889 0.706 1.00 0.00 C ATOM 703 CG ASN A 42 -7.991 -9.120 1.236 1.00 0.00 C ATOM 704 OD1 ASN A 42 -8.689 -8.175 1.589 1.00 0.00 O ATOM 705 ND2 ASN A 42 -8.403 -10.356 1.342 1.00 0.00 N ATOM 0 H ASN A 42 -7.729 -9.594 -2.201 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.333 -7.856 -0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.977 -9.771 0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.132 -8.058 1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.327 -10.554 1.726 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.801 -11.122 1.040 1.00 0.00 H new ATOM 712 N GLU A 43 -5.284 -7.129 -2.187 1.00 0.00 N ATOM 713 CA GLU A 43 -4.110 -6.513 -2.723 1.00 0.00 C ATOM 714 C GLU A 43 -4.442 -5.052 -2.934 1.00 0.00 C ATOM 715 O GLU A 43 -5.549 -4.610 -2.579 1.00 0.00 O ATOM 716 CB GLU A 43 -3.722 -7.215 -4.044 1.00 0.00 C ATOM 717 CG GLU A 43 -2.274 -7.003 -4.486 1.00 0.00 C ATOM 718 CD GLU A 43 -1.860 -7.941 -5.585 1.00 0.00 C ATOM 719 OE1 GLU A 43 -1.712 -9.141 -5.317 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.656 -7.516 -6.718 1.00 0.00 O ATOM 0 H GLU A 43 -6.154 -6.830 -2.628 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.255 -6.600 -2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.900 -8.285 -3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.383 -6.860 -4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.149 -5.975 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.613 -7.139 -3.630 1.00 0.00 H new ATOM 727 N LEU A 44 -3.551 -4.321 -3.502 1.00 0.00 N ATOM 728 CA LEU A 44 -3.768 -2.933 -3.731 1.00 0.00 C ATOM 729 C LEU A 44 -4.256 -2.774 -5.153 1.00 0.00 C ATOM 730 O LEU A 44 -4.007 -3.622 -5.990 1.00 0.00 O ATOM 731 CB LEU A 44 -2.429 -2.208 -3.593 1.00 0.00 C ATOM 732 CG LEU A 44 -2.458 -0.839 -2.903 1.00 0.00 C ATOM 733 CD1 LEU A 44 -1.094 -0.276 -2.855 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.379 0.137 -3.572 1.00 0.00 C ATOM 0 H LEU A 44 -2.647 -4.667 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.491 -2.527 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.747 -2.854 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.007 -2.078 -4.590 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.841 -1.002 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.119 0.697 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.443 -0.948 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.712 -0.161 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.355 1.086 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.058 0.293 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.395 -0.258 -3.565 1.00 0.00 H new ATOM 746 N SER A 45 -4.991 -1.747 -5.399 1.00 0.00 N ATOM 747 CA SER A 45 -5.446 -1.462 -6.701 1.00 0.00 C ATOM 748 C SER A 45 -4.672 -0.286 -7.280 1.00 0.00 C ATOM 749 O SER A 45 -4.605 0.790 -6.669 1.00 0.00 O ATOM 750 CB SER A 45 -6.943 -1.226 -6.679 1.00 0.00 C ATOM 751 OG SER A 45 -7.293 -0.366 -5.593 1.00 0.00 O ATOM 0 H SER A 45 -5.293 -1.078 -4.690 1.00 0.00 H new ATOM 0 HA SER A 45 -5.263 -2.314 -7.356 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.262 -0.781 -7.622 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.467 -2.177 -6.582 1.00 0.00 H new ATOM 0 HG SER A 45 -6.616 0.337 -5.501 1.00 0.00 H new ATOM 757 N PHE A 46 -4.086 -0.502 -8.425 1.00 0.00 N ATOM 758 CA PHE A 46 -3.266 0.487 -9.075 1.00 0.00 C ATOM 759 C PHE A 46 -3.173 0.204 -10.550 1.00 0.00 C ATOM 760 O PHE A 46 -3.543 -0.883 -11.007 1.00 0.00 O ATOM 761 CB PHE A 46 -1.856 0.533 -8.448 1.00 0.00 C ATOM 762 CG PHE A 46 -1.211 -0.813 -8.235 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.600 -1.488 -9.277 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.201 -1.390 -6.981 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.009 -2.707 -9.074 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.598 -2.605 -6.770 1.00 0.00 C ATOM 767 CZ PHE A 46 0.011 -3.267 -7.817 1.00 0.00 C ATOM 0 H PHE A 46 -4.164 -1.379 -8.940 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.734 1.461 -8.934 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.209 1.132 -9.089 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.918 1.046 -7.488 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.601 -1.052 -10.265 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.674 -0.879 -6.155 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.483 -3.221 -9.898 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.600 -3.044 -5.783 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.488 -4.222 -7.650 1.00 0.00 H new ATOM 777 N LYS A 47 -2.688 1.156 -11.283 1.00 0.00 N ATOM 778 CA LYS A 47 -2.492 1.010 -12.694 1.00 0.00 C ATOM 779 C LYS A 47 -1.028 1.017 -12.998 1.00 0.00 C ATOM 780 O LYS A 47 -0.258 1.650 -12.290 1.00 0.00 O ATOM 781 CB LYS A 47 -3.234 2.098 -13.474 1.00 0.00 C ATOM 782 CG LYS A 47 -4.730 1.852 -13.591 1.00 0.00 C ATOM 783 CD LYS A 47 -4.997 0.669 -14.503 1.00 0.00 C ATOM 784 CE LYS A 47 -6.473 0.364 -14.654 1.00 0.00 C ATOM 785 NZ LYS A 47 -6.691 -0.803 -15.536 1.00 0.00 N ATOM 0 H LYS A 47 -2.413 2.067 -10.916 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.910 0.055 -13.012 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.070 3.059 -12.986 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.807 2.171 -14.474 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.153 1.663 -12.604 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.223 2.742 -13.984 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.570 0.870 -15.486 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.488 -0.210 -14.108 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.909 0.169 -13.674 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.987 1.234 -15.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.698 -1.062 -15.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.404 -0.563 -16.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.124 -1.606 -15.196 1.00 0.00 H new ATOM 799 N GLN A 48 -0.645 0.277 -14.005 1.00 0.00 N ATOM 800 CA GLN A 48 0.740 0.162 -14.429 1.00 0.00 C ATOM 801 C GLN A 48 1.351 1.561 -14.645 1.00 0.00 C ATOM 802 O GLN A 48 0.803 2.382 -15.390 1.00 0.00 O ATOM 803 CB GLN A 48 0.806 -0.651 -15.717 1.00 0.00 C ATOM 804 CG GLN A 48 2.198 -1.060 -16.142 1.00 0.00 C ATOM 805 CD GLN A 48 2.213 -1.672 -17.520 1.00 0.00 C ATOM 806 OE1 GLN A 48 2.054 -2.882 -17.685 1.00 0.00 O ATOM 807 NE2 GLN A 48 2.418 -0.857 -18.516 1.00 0.00 N ATOM 0 H GLN A 48 -1.292 -0.275 -14.568 1.00 0.00 H new ATOM 0 HA GLN A 48 1.314 -0.345 -13.654 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.201 -1.549 -15.594 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.353 -0.069 -16.520 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.852 -0.188 -16.126 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.601 -1.774 -15.424 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.546 0.140 -18.341 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.451 -1.216 -19.470 1.00 0.00 H new ATOM 816 N GLY A 49 2.450 1.824 -13.962 1.00 0.00 N ATOM 817 CA GLY A 49 3.124 3.107 -14.060 1.00 0.00 C ATOM 818 C GLY A 49 2.537 4.185 -13.153 1.00 0.00 C ATOM 819 O GLY A 49 2.848 5.358 -13.320 1.00 0.00 O ATOM 0 H GLY A 49 2.898 1.161 -13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.177 2.973 -13.814 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.080 3.452 -15.093 1.00 0.00 H new ATOM 823 N GLU A 50 1.697 3.787 -12.199 1.00 0.00 N ATOM 824 CA GLU A 50 1.033 4.744 -11.287 1.00 0.00 C ATOM 825 C GLU A 50 2.004 5.365 -10.287 1.00 0.00 C ATOM 826 O GLU A 50 1.910 6.564 -9.985 1.00 0.00 O ATOM 827 CB GLU A 50 -0.064 4.045 -10.509 1.00 0.00 C ATOM 828 CG GLU A 50 -1.011 4.996 -9.813 1.00 0.00 C ATOM 829 CD GLU A 50 -2.120 4.294 -9.105 1.00 0.00 C ATOM 830 OE1 GLU A 50 -2.930 3.626 -9.787 1.00 0.00 O ATOM 831 OE2 GLU A 50 -2.236 4.439 -7.866 1.00 0.00 O ATOM 0 H GLU A 50 1.454 2.811 -12.030 1.00 0.00 H new ATOM 0 HA GLU A 50 0.624 5.538 -11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.633 3.411 -11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.390 3.389 -9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.452 5.598 -9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.432 5.683 -10.547 1.00 0.00 H new ATOM 838 N GLN A 51 2.909 4.521 -9.792 1.00 0.00 N ATOM 839 CA GLN A 51 3.909 4.829 -8.735 1.00 0.00 C ATOM 840 C GLN A 51 3.378 4.477 -7.355 1.00 0.00 C ATOM 841 O GLN A 51 2.428 5.075 -6.843 1.00 0.00 O ATOM 842 CB GLN A 51 4.465 6.260 -8.780 1.00 0.00 C ATOM 843 CG GLN A 51 5.413 6.597 -7.653 1.00 0.00 C ATOM 844 CD GLN A 51 5.848 8.025 -7.713 1.00 0.00 C ATOM 845 OE1 GLN A 51 6.857 8.356 -8.340 1.00 0.00 O ATOM 846 NE2 GLN A 51 5.089 8.889 -7.119 1.00 0.00 N ATOM 0 H GLN A 51 2.980 3.558 -10.122 1.00 0.00 H new ATOM 0 HA GLN A 51 4.764 4.190 -8.953 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.981 6.407 -9.729 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.631 6.962 -8.759 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.927 6.403 -6.697 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.286 5.947 -7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.262 8.577 -6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.318 9.882 -7.160 1.00 0.00 H new ATOM 855 N ILE A 52 4.004 3.500 -6.781 1.00 0.00 N ATOM 856 CA ILE A 52 3.637 2.936 -5.522 1.00 0.00 C ATOM 857 C ILE A 52 4.828 3.107 -4.581 1.00 0.00 C ATOM 858 O ILE A 52 5.930 3.354 -5.031 1.00 0.00 O ATOM 859 CB ILE A 52 3.349 1.421 -5.730 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.483 1.257 -6.985 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.653 0.814 -4.510 1.00 0.00 C ATOM 862 CD1 ILE A 52 2.056 -0.134 -7.262 1.00 0.00 C ATOM 0 H ILE A 52 4.822 3.054 -7.196 1.00 0.00 H new ATOM 0 HA ILE A 52 2.753 3.420 -5.107 1.00 0.00 H new ATOM 0 HB ILE A 52 4.292 0.890 -5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.596 1.882 -6.882 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.038 1.631 -7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.466 -0.245 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.291 0.928 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.706 1.326 -4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.449 -0.155 -8.167 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.935 -0.764 -7.400 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.470 -0.509 -6.423 1.00 0.00 H new ATOM 874 N GLU A 53 4.619 3.032 -3.319 1.00 0.00 N ATOM 875 CA GLU A 53 5.709 3.126 -2.378 1.00 0.00 C ATOM 876 C GLU A 53 5.811 1.819 -1.644 1.00 0.00 C ATOM 877 O GLU A 53 4.800 1.209 -1.358 1.00 0.00 O ATOM 878 CB GLU A 53 5.415 4.186 -1.374 1.00 0.00 C ATOM 879 CG GLU A 53 4.954 5.497 -1.959 1.00 0.00 C ATOM 880 CD GLU A 53 4.316 6.355 -0.925 1.00 0.00 C ATOM 881 OE1 GLU A 53 3.116 6.186 -0.671 1.00 0.00 O ATOM 882 OE2 GLU A 53 4.990 7.207 -0.318 1.00 0.00 O ATOM 0 H GLU A 53 3.700 2.905 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 53 6.631 3.359 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.649 3.819 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.312 4.364 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.804 6.021 -2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.246 5.309 -2.766 1.00 0.00 H new ATOM 889 N ILE A 54 7.001 1.384 -1.358 1.00 0.00 N ATOM 890 CA ILE A 54 7.178 0.157 -0.619 1.00 0.00 C ATOM 891 C ILE A 54 7.524 0.481 0.841 1.00 0.00 C ATOM 892 O ILE A 54 8.420 1.295 1.118 1.00 0.00 O ATOM 893 CB ILE A 54 8.262 -0.778 -1.271 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.387 -2.090 -0.536 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.604 -0.128 -1.353 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.187 -2.965 -0.659 1.00 0.00 C ATOM 0 H ILE A 54 7.867 1.855 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 54 6.239 -0.396 -0.648 1.00 0.00 H new ATOM 0 HB ILE A 54 7.912 -0.970 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.257 -2.627 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.572 -1.889 0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.314 -0.816 -1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.534 0.776 -1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 54 9.945 0.131 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.352 -3.889 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.317 -2.449 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.013 -3.198 -1.709 1.00 0.00 H new ATOM 908 N ILE A 55 6.787 -0.098 1.755 1.00 0.00 N ATOM 909 CA ILE A 55 7.024 0.117 3.171 1.00 0.00 C ATOM 910 C ILE A 55 7.590 -1.124 3.861 1.00 0.00 C ATOM 911 O ILE A 55 8.594 -1.045 4.567 1.00 0.00 O ATOM 912 CB ILE A 55 5.807 0.715 3.959 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.438 0.139 3.496 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.819 2.238 3.893 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.854 0.766 2.230 1.00 0.00 C ATOM 0 H ILE A 55 6.011 -0.727 1.548 1.00 0.00 H new ATOM 0 HA ILE A 55 7.788 0.894 3.200 1.00 0.00 H new ATOM 0 HB ILE A 55 5.925 0.410 4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.552 -0.932 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.719 0.262 4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.967 2.633 4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.743 2.614 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.756 2.558 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.901 0.293 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.700 1.833 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.545 0.620 1.400 1.00 0.00 H new ATOM 927 N ARG A 56 6.979 -2.266 3.653 1.00 0.00 N ATOM 928 CA ARG A 56 7.533 -3.488 4.206 1.00 0.00 C ATOM 929 C ARG A 56 7.708 -4.528 3.107 1.00 0.00 C ATOM 930 O ARG A 56 6.877 -4.633 2.207 1.00 0.00 O ATOM 931 CB ARG A 56 6.729 -4.053 5.409 1.00 0.00 C ATOM 932 CG ARG A 56 7.367 -5.327 5.972 1.00 0.00 C ATOM 933 CD ARG A 56 6.855 -5.754 7.334 1.00 0.00 C ATOM 934 NE ARG A 56 7.540 -5.059 8.421 1.00 0.00 N ATOM 935 CZ ARG A 56 8.076 -5.682 9.481 1.00 0.00 C ATOM 936 NH1 ARG A 56 7.901 -6.986 9.636 1.00 0.00 N ATOM 937 NH2 ARG A 56 8.782 -5.003 10.371 1.00 0.00 N ATOM 0 H ARG A 56 6.118 -2.380 3.118 1.00 0.00 H new ATOM 0 HA ARG A 56 8.511 -3.233 4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.671 -3.299 6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.707 -4.266 5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.200 -6.141 5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.445 -5.177 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.785 -5.558 7.396 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.989 -6.829 7.450 1.00 0.00 H new ATOM 0 HE ARG A 56 7.615 -4.043 8.371 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.360 -7.513 8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.307 -7.463 10.441 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.921 -3.999 10.253 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.187 -5.483 11.175 1.00 0.00 H new ATOM 951 N ILE A 57 8.798 -5.249 3.176 1.00 0.00 N ATOM 952 CA ILE A 57 9.166 -6.261 2.192 1.00 0.00 C ATOM 953 C ILE A 57 9.499 -7.567 2.860 1.00 0.00 C ATOM 954 O ILE A 57 9.176 -8.625 2.348 1.00 0.00 O ATOM 955 CB ILE A 57 10.388 -5.855 1.262 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.516 -5.097 2.005 1.00 0.00 C ATOM 957 CG2 ILE A 57 9.952 -5.087 0.040 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.160 -3.667 2.377 1.00 0.00 C ATOM 0 H ILE A 57 9.477 -5.154 3.932 1.00 0.00 H new ATOM 0 HA ILE A 57 8.286 -6.358 1.556 1.00 0.00 H new ATOM 0 HB ILE A 57 10.810 -6.806 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.771 -5.645 2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.407 -5.087 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.825 -4.834 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.270 -5.699 -0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.445 -4.172 0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.001 -3.205 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 57 10.934 -3.101 1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.288 -3.668 3.032 1.00 0.00 H new ATOM 970 N THR A 58 10.133 -7.501 3.999 1.00 0.00 N ATOM 971 CA THR A 58 10.569 -8.675 4.693 1.00 0.00 C ATOM 972 C THR A 58 9.892 -8.815 6.050 1.00 0.00 C ATOM 973 O THR A 58 9.242 -7.875 6.512 1.00 0.00 O ATOM 974 CB THR A 58 12.105 -8.670 4.823 1.00 0.00 C ATOM 975 OG1 THR A 58 12.563 -7.337 5.153 1.00 0.00 O ATOM 976 CG2 THR A 58 12.750 -9.124 3.530 1.00 0.00 C ATOM 0 H THR A 58 10.361 -6.626 4.471 1.00 0.00 H new ATOM 0 HA THR A 58 10.274 -9.546 4.108 1.00 0.00 H new ATOM 0 HB THR A 58 12.389 -9.361 5.617 1.00 0.00 H new ATOM 0 HG1 THR A 58 13.539 -7.338 5.237 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.834 -9.114 3.641 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.419 -10.135 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.462 -8.450 2.723 1.00 0.00 H new ATOM 984 N ASP A 59 10.057 -9.988 6.667 1.00 0.00 N ATOM 985 CA ASP A 59 9.459 -10.331 7.966 1.00 0.00 C ATOM 986 C ASP A 59 7.932 -10.262 7.878 1.00 0.00 C ATOM 987 O ASP A 59 7.272 -9.390 8.457 1.00 0.00 O ATOM 988 CB ASP A 59 10.039 -9.466 9.120 1.00 0.00 C ATOM 989 CG ASP A 59 9.531 -9.850 10.499 1.00 0.00 C ATOM 990 OD1 ASP A 59 9.951 -10.895 11.030 1.00 0.00 O ATOM 991 OD2 ASP A 59 8.741 -9.092 11.103 1.00 0.00 O ATOM 0 H ASP A 59 10.620 -10.742 6.273 1.00 0.00 H new ATOM 0 HA ASP A 59 9.727 -11.359 8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.126 -9.547 9.109 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.796 -8.420 8.933 1.00 0.00 H new ATOM 996 N ASN A 60 7.389 -11.150 7.082 1.00 0.00 N ATOM 997 CA ASN A 60 5.962 -11.199 6.806 1.00 0.00 C ATOM 998 C ASN A 60 5.523 -12.672 6.748 1.00 0.00 C ATOM 999 O ASN A 60 6.374 -13.555 6.793 1.00 0.00 O ATOM 1000 CB ASN A 60 5.665 -10.449 5.468 1.00 0.00 C ATOM 1001 CG ASN A 60 6.287 -11.081 4.218 1.00 0.00 C ATOM 1002 OD1 ASN A 60 6.419 -12.288 4.099 1.00 0.00 O ATOM 1003 ND2 ASN A 60 6.664 -10.271 3.282 1.00 0.00 N ATOM 0 H ASN A 60 7.926 -11.870 6.599 1.00 0.00 H new ATOM 0 HA ASN A 60 5.396 -10.702 7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.585 -10.396 5.331 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.025 -9.424 5.556 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.080 -10.639 2.426 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.545 -9.265 3.400 1.00 0.00 H new ATOM 1010 N PRO A 61 4.215 -12.984 6.656 1.00 0.00 N ATOM 1011 CA PRO A 61 3.751 -14.368 6.603 1.00 0.00 C ATOM 1012 C PRO A 61 3.538 -14.915 5.166 1.00 0.00 C ATOM 1013 O PRO A 61 2.960 -15.997 4.992 1.00 0.00 O ATOM 1014 CB PRO A 61 2.413 -14.275 7.332 1.00 0.00 C ATOM 1015 CG PRO A 61 1.882 -12.916 6.986 1.00 0.00 C ATOM 1016 CD PRO A 61 3.073 -12.038 6.674 1.00 0.00 C ATOM 0 HA PRO A 61 4.480 -15.055 7.034 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.731 -15.061 7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.540 -14.388 8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.210 -12.972 6.130 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.307 -12.505 7.816 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.957 -11.533 5.715 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.207 -11.263 7.429 1.00 0.00 H new ATOM 1024 N GLU A 62 4.029 -14.216 4.150 1.00 0.00 N ATOM 1025 CA GLU A 62 3.759 -14.635 2.773 1.00 0.00 C ATOM 1026 C GLU A 62 5.037 -14.574 1.932 1.00 0.00 C ATOM 1027 O GLU A 62 5.634 -15.599 1.608 1.00 0.00 O ATOM 1028 CB GLU A 62 2.660 -13.722 2.161 1.00 0.00 C ATOM 1029 CG GLU A 62 1.890 -14.270 0.931 1.00 0.00 C ATOM 1030 CD GLU A 62 2.729 -14.592 -0.295 1.00 0.00 C ATOM 1031 OE1 GLU A 62 3.289 -13.687 -0.900 1.00 0.00 O ATOM 1032 OE2 GLU A 62 2.791 -15.776 -0.699 1.00 0.00 O ATOM 0 H GLU A 62 4.602 -13.377 4.244 1.00 0.00 H new ATOM 0 HA GLU A 62 3.407 -15.666 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.934 -13.497 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.125 -12.778 1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.362 -15.175 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.133 -13.539 0.646 1.00 0.00 H new ATOM 1039 N GLY A 63 5.457 -13.380 1.623 1.00 0.00 N ATOM 1040 CA GLY A 63 6.583 -13.177 0.749 1.00 0.00 C ATOM 1041 C GLY A 63 6.333 -11.965 -0.109 1.00 0.00 C ATOM 1042 O GLY A 63 7.262 -11.339 -0.613 1.00 0.00 O ATOM 0 H GLY A 63 5.031 -12.520 1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.493 -13.042 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.735 -14.056 0.122 1.00 0.00 H new ATOM 1046 N LYS A 64 5.058 -11.685 -0.301 1.00 0.00 N ATOM 1047 CA LYS A 64 4.562 -10.517 -1.006 1.00 0.00 C ATOM 1048 C LYS A 64 4.989 -9.231 -0.294 1.00 0.00 C ATOM 1049 O LYS A 64 5.380 -9.262 0.868 1.00 0.00 O ATOM 1050 CB LYS A 64 3.041 -10.607 -1.143 1.00 0.00 C ATOM 1051 CG LYS A 64 2.237 -10.333 0.119 1.00 0.00 C ATOM 1052 CD LYS A 64 0.850 -10.959 0.032 1.00 0.00 C ATOM 1053 CE LYS A 64 0.115 -10.573 -1.238 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.161 -11.290 -1.354 1.00 0.00 N ATOM 0 H LYS A 64 4.310 -12.288 0.043 1.00 0.00 H new ATOM 0 HA LYS A 64 4.996 -10.490 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.724 -9.902 -1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.787 -11.605 -1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.766 -10.732 0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.145 -9.257 0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.941 -12.044 0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.261 -10.651 0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.067 -9.498 -1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.739 -10.794 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.641 -11.005 -2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.983 -12.314 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.765 -11.059 -0.539 1.00 0.00 H new ATOM 1068 N TRP A 65 4.916 -8.130 -0.986 1.00 0.00 N ATOM 1069 CA TRP A 65 5.398 -6.870 -0.467 1.00 0.00 C ATOM 1070 C TRP A 65 4.247 -6.003 0.011 1.00 0.00 C ATOM 1071 O TRP A 65 3.103 -6.298 -0.256 1.00 0.00 O ATOM 1072 CB TRP A 65 6.193 -6.143 -1.545 1.00 0.00 C ATOM 1073 CG TRP A 65 7.473 -6.822 -1.923 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.190 -7.706 -1.163 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.204 -6.663 -3.148 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.308 -8.107 -1.839 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.343 -7.486 -3.059 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.002 -5.915 -4.308 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.276 -7.576 -4.087 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 8.929 -6.006 -5.327 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.053 -6.830 -5.211 1.00 0.00 C ATOM 0 H TRP A 65 4.522 -8.074 -1.925 1.00 0.00 H new ATOM 0 HA TRP A 65 6.045 -7.070 0.387 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.571 -6.043 -2.434 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.418 -5.135 -1.198 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.913 -8.038 -0.173 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.006 -8.764 -1.490 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.137 -5.277 -4.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.145 -8.212 -4.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.784 -5.431 -6.229 1.00 0.00 H new ATOM 0 HH2 TRP A 65 10.760 -6.878 -6.026 1.00 0.00 H new ATOM 1092 N LEU A 66 4.546 -4.964 0.742 1.00 0.00 N ATOM 1093 CA LEU A 66 3.531 -4.043 1.193 1.00 0.00 C ATOM 1094 C LEU A 66 3.732 -2.708 0.516 1.00 0.00 C ATOM 1095 O LEU A 66 4.691 -1.986 0.833 1.00 0.00 O ATOM 1096 CB LEU A 66 3.586 -3.849 2.706 1.00 0.00 C ATOM 1097 CG LEU A 66 2.520 -2.919 3.280 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.157 -3.515 3.120 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.786 -2.613 4.722 1.00 0.00 C ATOM 0 H LEU A 66 5.492 -4.730 1.042 1.00 0.00 H new ATOM 0 HA LEU A 66 2.557 -4.459 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.492 -4.824 3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.568 -3.457 2.971 1.00 0.00 H new ATOM 0 HG LEU A 66 2.561 -1.984 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.412 -2.836 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.952 -3.675 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.113 -4.469 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.010 -1.949 5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.784 -3.539 5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.758 -2.128 4.818 1.00 0.00 H new ATOM 1111 N GLY A 67 2.860 -2.383 -0.399 1.00 0.00 N ATOM 1112 CA GLY A 67 2.981 -1.151 -1.115 1.00 0.00 C ATOM 1113 C GLY A 67 1.859 -0.207 -0.791 1.00 0.00 C ATOM 1114 O GLY A 67 0.827 -0.632 -0.276 1.00 0.00 O ATOM 0 H GLY A 67 2.059 -2.957 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.934 -0.681 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.989 -1.352 -2.186 1.00 0.00 H new ATOM 1118 N ARG A 68 2.060 1.065 -1.067 1.00 0.00 N ATOM 1119 CA ARG A 68 1.051 2.079 -0.831 1.00 0.00 C ATOM 1120 C ARG A 68 0.925 3.030 -2.002 1.00 0.00 C ATOM 1121 O ARG A 68 1.914 3.411 -2.637 1.00 0.00 O ATOM 1122 CB ARG A 68 1.323 2.856 0.458 1.00 0.00 C ATOM 1123 CG ARG A 68 0.303 3.942 0.784 1.00 0.00 C ATOM 1124 CD ARG A 68 0.739 4.791 1.952 1.00 0.00 C ATOM 1125 NE ARG A 68 1.943 5.568 1.662 1.00 0.00 N ATOM 1126 CZ ARG A 68 2.623 6.273 2.562 1.00 0.00 C ATOM 1127 NH1 ARG A 68 2.157 6.405 3.805 1.00 0.00 N ATOM 1128 NH2 ARG A 68 3.741 6.895 2.201 1.00 0.00 N ATOM 0 H ARG A 68 2.928 1.426 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 68 0.102 1.555 -0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.359 2.151 1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.309 3.315 0.387 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.156 4.576 -0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.659 3.481 1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.069 5.469 2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.923 4.150 2.814 1.00 0.00 H new ATOM 0 HE ARG A 68 2.286 5.570 0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.276 5.964 4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.682 6.947 4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.073 6.830 1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.267 7.437 2.886 1.00 0.00 H new ATOM 1142 N THR A 69 -0.284 3.382 -2.265 1.00 0.00 N ATOM 1143 CA THR A 69 -0.648 4.305 -3.310 1.00 0.00 C ATOM 1144 C THR A 69 -0.940 5.683 -2.725 1.00 0.00 C ATOM 1145 O THR A 69 -1.054 5.821 -1.504 1.00 0.00 O ATOM 1146 CB THR A 69 -1.862 3.782 -4.058 1.00 0.00 C ATOM 1147 OG1 THR A 69 -2.819 3.295 -3.096 1.00 0.00 O ATOM 1148 CG2 THR A 69 -1.459 2.677 -5.023 1.00 0.00 C ATOM 0 H THR A 69 -1.086 3.027 -1.744 1.00 0.00 H new ATOM 0 HA THR A 69 0.186 4.397 -4.006 1.00 0.00 H new ATOM 0 HB THR A 69 -2.309 4.585 -4.644 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.682 3.150 -3.538 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.342 2.314 -5.550 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.741 3.068 -5.744 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.006 1.856 -4.467 1.00 0.00 H new ATOM 1156 N ALA A 70 -1.032 6.690 -3.587 1.00 0.00 N ATOM 1157 CA ALA A 70 -1.285 8.092 -3.200 1.00 0.00 C ATOM 1158 C ALA A 70 -2.565 8.271 -2.361 1.00 0.00 C ATOM 1159 O ALA A 70 -2.692 9.228 -1.601 1.00 0.00 O ATOM 1160 CB ALA A 70 -1.333 8.974 -4.437 1.00 0.00 C ATOM 0 H ALA A 70 -0.933 6.563 -4.594 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.455 8.396 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.520 10.006 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.380 8.915 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.133 8.635 -5.095 1.00 0.00 H new ATOM 1166 N ARG A 71 -3.512 7.362 -2.509 1.00 0.00 N ATOM 1167 CA ARG A 71 -4.737 7.405 -1.715 1.00 0.00 C ATOM 1168 C ARG A 71 -4.468 6.872 -0.291 1.00 0.00 C ATOM 1169 O ARG A 71 -5.193 7.191 0.655 1.00 0.00 O ATOM 1170 CB ARG A 71 -5.899 6.652 -2.463 1.00 0.00 C ATOM 1171 CG ARG A 71 -7.223 6.434 -1.681 1.00 0.00 C ATOM 1172 CD ARG A 71 -7.150 5.180 -0.821 1.00 0.00 C ATOM 1173 NE ARG A 71 -8.301 4.969 0.062 1.00 0.00 N ATOM 1174 CZ ARG A 71 -8.346 3.992 0.995 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -7.396 3.064 1.030 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -9.350 3.918 1.854 1.00 0.00 N ATOM 0 H ARG A 71 -3.461 6.585 -3.168 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.069 8.437 -1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.131 7.207 -3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.525 5.676 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.424 7.300 -1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.054 6.351 -2.382 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.049 4.314 -1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.247 5.227 -0.212 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.106 5.589 -0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.633 3.089 0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.429 2.326 1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.104 4.604 1.818 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.370 3.175 2.552 1.00 0.00 H new ATOM 1190 N GLY A 72 -3.387 6.133 -0.141 1.00 0.00 N ATOM 1191 CA GLY A 72 -3.072 5.510 1.111 1.00 0.00 C ATOM 1192 C GLY A 72 -3.805 4.219 1.226 1.00 0.00 C ATOM 1193 O GLY A 72 -4.880 4.156 1.798 1.00 0.00 O ATOM 0 H GLY A 72 -2.711 5.953 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.998 5.337 1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.345 6.169 1.935 1.00 0.00 H new ATOM 1197 N SER A 73 -3.215 3.205 0.702 1.00 0.00 N ATOM 1198 CA SER A 73 -3.760 1.940 0.598 1.00 0.00 C ATOM 1199 C SER A 73 -2.573 1.094 0.632 1.00 0.00 C ATOM 1200 O SER A 73 -1.642 1.315 -0.113 1.00 0.00 O ATOM 1201 CB SER A 73 -4.451 1.738 -0.735 1.00 0.00 C ATOM 1202 OG SER A 73 -5.415 2.738 -1.009 1.00 0.00 O ATOM 0 H SER A 73 -2.274 3.264 0.314 1.00 0.00 H new ATOM 0 HA SER A 73 -4.503 1.740 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.704 1.732 -1.529 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.934 0.761 -0.744 1.00 0.00 H new ATOM 0 HG SER A 73 -5.830 2.563 -1.879 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.578 0.233 1.487 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.508 -0.638 1.738 1.00 0.00 C ATOM 1210 C TYR A 74 -1.910 -1.979 1.263 1.00 0.00 C ATOM 1211 O TYR A 74 -2.284 -2.861 2.043 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.281 -0.690 3.196 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.602 0.497 3.853 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.302 1.666 4.125 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.726 0.428 4.241 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.694 2.731 4.757 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.340 1.486 4.886 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.627 2.633 5.140 1.00 0.00 C ATOM 1219 OH TYR A 74 1.231 3.690 5.795 1.00 0.00 O ATOM 0 H TYR A 74 -3.377 0.074 2.101 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.599 -0.307 1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.247 -0.832 3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.684 -1.577 3.410 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.340 1.742 3.837 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.292 -0.469 4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.250 3.637 4.951 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.374 1.411 5.188 1.00 0.00 H new ATOM 0 HH TYR A 74 2.162 3.461 5.997 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.919 -2.117 0.007 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.308 -3.317 -0.539 1.00 0.00 C ATOM 1231 C GLY A 75 -1.133 -4.141 -0.739 1.00 0.00 C ATOM 1232 O GLY A 75 -0.346 -3.879 -1.636 1.00 0.00 O ATOM 0 H GLY A 75 -1.655 -1.395 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.014 -3.821 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.819 -3.152 -1.487 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.932 -4.999 0.207 1.00 0.00 N ATOM 1237 CA TYR A 76 0.086 -6.048 0.154 1.00 0.00 C ATOM 1238 C TYR A 76 0.084 -6.718 -1.219 1.00 0.00 C ATOM 1239 O TYR A 76 -0.740 -7.582 -1.526 1.00 0.00 O ATOM 1240 CB TYR A 76 -0.091 -7.081 1.298 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.334 -6.853 2.130 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -2.539 -7.399 1.749 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -1.306 -6.067 3.274 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -3.686 -7.178 2.467 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -2.450 -5.838 3.994 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.640 -6.395 3.585 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.789 -6.176 4.308 1.00 0.00 O ATOM 0 H TYR A 76 -1.476 -5.007 1.070 1.00 0.00 H new ATOM 0 HA TYR A 76 1.060 -5.583 0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.129 -8.083 0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.783 -7.045 1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.582 -8.016 0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.373 -5.631 3.600 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.619 -7.620 2.151 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.417 -5.222 4.880 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.473 -6.824 4.039 1.00 0.00 H new ATOM 1257 N ILE A 77 0.977 -6.229 -2.023 1.00 0.00 N ATOM 1258 CA ILE A 77 1.169 -6.573 -3.369 1.00 0.00 C ATOM 1259 C ILE A 77 1.853 -7.824 -3.542 1.00 0.00 C ATOM 1260 O ILE A 77 2.775 -8.168 -2.807 1.00 0.00 O ATOM 1261 CB ILE A 77 2.060 -5.551 -4.073 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.164 -5.039 -3.134 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.261 -4.425 -4.635 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.049 -3.974 -3.713 1.00 0.00 C ATOM 0 H ILE A 77 1.639 -5.519 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 77 0.162 -6.620 -3.782 1.00 0.00 H new ATOM 0 HB ILE A 77 2.543 -6.056 -4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.698 -4.650 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.785 -5.883 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.927 -3.717 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.544 -4.813 -5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.727 -3.920 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.795 -3.679 -2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.550 -4.360 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.446 -3.108 -3.985 1.00 0.00 H new ATOM 1276 N LYS A 78 1.467 -8.486 -4.533 1.00 0.00 N ATOM 1277 CA LYS A 78 2.218 -9.532 -4.967 1.00 0.00 C ATOM 1278 C LYS A 78 3.332 -8.870 -5.784 1.00 0.00 C ATOM 1279 O LYS A 78 3.098 -8.075 -6.687 1.00 0.00 O ATOM 1280 CB LYS A 78 1.397 -10.520 -5.774 1.00 0.00 C ATOM 1281 CG LYS A 78 0.822 -9.924 -7.004 1.00 0.00 C ATOM 1282 CD LYS A 78 0.050 -10.930 -7.814 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.590 -10.283 -9.024 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.657 -9.323 -8.666 1.00 0.00 N ATOM 0 H LYS A 78 0.614 -8.308 -5.062 1.00 0.00 H new ATOM 0 HA LYS A 78 2.619 -10.134 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.024 -11.369 -6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.590 -10.907 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.165 -9.097 -6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.624 -9.507 -7.613 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.716 -11.730 -8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.720 -11.387 -7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.177 -9.767 -9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.007 -11.058 -9.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.024 -8.874 -9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.428 -9.826 -8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.270 -8.593 -8.034 1.00 0.00 H new ATOM 1298 N THR A 79 4.461 -9.089 -5.317 1.00 0.00 N ATOM 1299 CA THR A 79 5.770 -8.637 -5.832 1.00 0.00 C ATOM 1300 C THR A 79 5.828 -8.605 -7.379 1.00 0.00 C ATOM 1301 O THR A 79 6.347 -7.665 -7.967 1.00 0.00 O ATOM 1302 CB THR A 79 6.866 -9.625 -5.328 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.639 -10.932 -5.891 1.00 0.00 O ATOM 1304 CG2 THR A 79 6.792 -9.774 -3.824 1.00 0.00 C ATOM 0 H THR A 79 4.571 -9.646 -4.470 1.00 0.00 H new ATOM 0 HA THR A 79 5.931 -7.621 -5.470 1.00 0.00 H new ATOM 0 HB THR A 79 7.836 -9.228 -5.627 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.331 -11.550 -5.573 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.564 -10.467 -3.489 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.947 -8.803 -3.354 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.812 -10.160 -3.544 1.00 0.00 H new ATOM 1312 N THR A 80 5.226 -9.591 -8.001 1.00 0.00 N ATOM 1313 CA THR A 80 5.190 -9.740 -9.436 1.00 0.00 C ATOM 1314 C THR A 80 4.297 -8.654 -10.121 1.00 0.00 C ATOM 1315 O THR A 80 4.166 -8.639 -11.347 1.00 0.00 O ATOM 1316 CB THR A 80 4.703 -11.184 -9.791 1.00 0.00 C ATOM 1317 OG1 THR A 80 4.659 -11.409 -11.215 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.335 -11.450 -9.181 1.00 0.00 C ATOM 0 H THR A 80 4.733 -10.334 -7.507 1.00 0.00 H new ATOM 0 HA THR A 80 6.198 -9.593 -9.823 1.00 0.00 H new ATOM 0 HB THR A 80 5.429 -11.879 -9.369 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.626 -10.548 -11.681 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.012 -12.459 -9.438 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.395 -11.353 -8.097 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.617 -10.729 -9.570 1.00 0.00 H new ATOM 1326 N ALA A 81 3.675 -7.773 -9.339 1.00 0.00 N ATOM 1327 CA ALA A 81 2.865 -6.714 -9.895 1.00 0.00 C ATOM 1328 C ALA A 81 3.610 -5.380 -9.876 1.00 0.00 C ATOM 1329 O ALA A 81 3.148 -4.397 -10.458 1.00 0.00 O ATOM 1330 CB ALA A 81 1.541 -6.605 -9.151 1.00 0.00 C ATOM 0 H ALA A 81 3.722 -7.780 -8.320 1.00 0.00 H new ATOM 0 HA ALA A 81 2.655 -6.962 -10.935 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.945 -5.802 -9.585 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.998 -7.546 -9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.731 -6.389 -8.100 1.00 0.00 H new ATOM 1336 N VAL A 82 4.771 -5.333 -9.221 1.00 0.00 N ATOM 1337 CA VAL A 82 5.535 -4.084 -9.141 1.00 0.00 C ATOM 1338 C VAL A 82 7.009 -4.303 -9.359 1.00 0.00 C ATOM 1339 O VAL A 82 7.496 -5.428 -9.338 1.00 0.00 O ATOM 1340 CB VAL A 82 5.377 -3.338 -7.782 1.00 0.00 C ATOM 1341 CG1 VAL A 82 3.976 -2.814 -7.583 1.00 0.00 C ATOM 1342 CG2 VAL A 82 5.765 -4.235 -6.627 1.00 0.00 C ATOM 0 H VAL A 82 5.198 -6.128 -8.746 1.00 0.00 H new ATOM 0 HA VAL A 82 5.113 -3.470 -9.937 1.00 0.00 H new ATOM 0 HB VAL A 82 6.051 -2.482 -7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.912 -2.301 -6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.731 -2.116 -8.384 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.271 -3.645 -7.598 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.646 -3.692 -5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.124 -5.117 -6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.804 -4.543 -6.739 1.00 0.00 H new ATOM 1352 N GLU A 83 7.685 -3.219 -9.585 1.00 0.00 N ATOM 1353 CA GLU A 83 9.119 -3.175 -9.685 1.00 0.00 C ATOM 1354 C GLU A 83 9.573 -2.076 -8.770 1.00 0.00 C ATOM 1355 O GLU A 83 9.149 -0.940 -8.946 1.00 0.00 O ATOM 1356 CB GLU A 83 9.548 -2.834 -11.106 1.00 0.00 C ATOM 1357 CG GLU A 83 9.192 -3.871 -12.141 1.00 0.00 C ATOM 1358 CD GLU A 83 9.712 -3.516 -13.510 1.00 0.00 C ATOM 1359 OE1 GLU A 83 10.932 -3.335 -13.664 1.00 0.00 O ATOM 1360 OE2 GLU A 83 8.905 -3.409 -14.469 1.00 0.00 O ATOM 0 H GLU A 83 7.243 -2.308 -9.710 1.00 0.00 H new ATOM 0 HA GLU A 83 9.550 -4.141 -9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.092 -1.886 -11.390 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.628 -2.685 -11.118 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.599 -4.836 -11.840 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.108 -3.981 -12.184 1.00 0.00 H new ATOM 1367 N ILE A 84 10.375 -2.370 -7.777 1.00 0.00 N ATOM 1368 CA ILE A 84 10.795 -1.307 -6.890 1.00 0.00 C ATOM 1369 C ILE A 84 12.061 -0.650 -7.387 1.00 0.00 C ATOM 1370 O ILE A 84 12.770 -1.197 -8.253 1.00 0.00 O ATOM 1371 CB ILE A 84 11.042 -1.734 -5.419 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.274 -2.624 -5.305 1.00 0.00 C ATOM 1373 CG2 ILE A 84 9.820 -2.433 -4.840 1.00 0.00 C ATOM 1374 CD1 ILE A 84 12.908 -2.566 -3.945 1.00 0.00 C ATOM 0 H ILE A 84 10.740 -3.298 -7.564 1.00 0.00 H new ATOM 0 HA ILE A 84 9.949 -0.619 -6.897 1.00 0.00 H new ATOM 0 HB ILE A 84 11.223 -0.829 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.995 -3.654 -5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 84 13.005 -2.323 -6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.021 -2.722 -3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.966 -1.756 -4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.597 -3.323 -5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 84 13.780 -3.219 -3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.215 -1.543 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.189 -2.894 -3.194 1.00 0.00 H new ATOM 1386 N ASP A 85 12.329 0.513 -6.879 1.00 0.00 N ATOM 1387 CA ASP A 85 13.611 1.166 -7.113 1.00 0.00 C ATOM 1388 C ASP A 85 14.569 0.679 -6.031 1.00 0.00 C ATOM 1389 O ASP A 85 14.160 0.501 -4.903 1.00 0.00 O ATOM 1390 CB ASP A 85 13.445 2.688 -7.079 1.00 0.00 C ATOM 1391 CG ASP A 85 14.743 3.463 -7.181 1.00 0.00 C ATOM 1392 OD1 ASP A 85 15.343 3.523 -8.278 1.00 0.00 O ATOM 1393 OD2 ASP A 85 15.167 4.061 -6.172 1.00 0.00 O ATOM 0 H ASP A 85 11.683 1.044 -6.295 1.00 0.00 H new ATOM 0 HA ASP A 85 14.008 0.916 -8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.792 2.988 -7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.942 2.966 -6.152 1.00 0.00 H new ATOM 1398 N TYR A 86 15.800 0.402 -6.378 1.00 0.00 N ATOM 1399 CA TYR A 86 16.752 -0.167 -5.425 1.00 0.00 C ATOM 1400 C TYR A 86 17.791 0.842 -4.938 1.00 0.00 C ATOM 1401 O TYR A 86 17.898 1.956 -5.460 1.00 0.00 O ATOM 1402 CB TYR A 86 17.468 -1.385 -6.035 1.00 0.00 C ATOM 1403 CG TYR A 86 16.596 -2.609 -6.233 1.00 0.00 C ATOM 1404 CD1 TYR A 86 16.443 -3.527 -5.210 1.00 0.00 C ATOM 1405 CD2 TYR A 86 15.937 -2.850 -7.432 1.00 0.00 C ATOM 1406 CE1 TYR A 86 15.664 -4.650 -5.366 1.00 0.00 C ATOM 1407 CE2 TYR A 86 15.151 -3.979 -7.598 1.00 0.00 C ATOM 1408 CZ TYR A 86 15.020 -4.876 -6.553 1.00 0.00 C ATOM 1409 OH TYR A 86 14.231 -6.006 -6.698 1.00 0.00 O ATOM 0 H TYR A 86 16.179 0.557 -7.312 1.00 0.00 H new ATOM 0 HA TYR A 86 16.165 -0.473 -4.559 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.887 -1.096 -6.999 1.00 0.00 H new ATOM 0 HB3 TYR A 86 18.306 -1.655 -5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 86 16.946 -3.359 -4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 86 16.039 -2.148 -8.246 1.00 0.00 H new ATOM 0 HE1 TYR A 86 15.560 -5.353 -4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.645 -4.157 -8.535 1.00 0.00 H new ATOM 0 HH TYR A 86 13.842 -6.020 -7.598 1.00 0.00 H new ATOM 1419 N ASP A 87 18.545 0.438 -3.932 1.00 0.00 N ATOM 1420 CA ASP A 87 19.670 1.218 -3.385 1.00 0.00 C ATOM 1421 C ASP A 87 20.970 0.541 -3.721 1.00 0.00 C ATOM 1422 O ASP A 87 21.974 1.193 -3.974 1.00 0.00 O ATOM 1423 CB ASP A 87 19.603 1.376 -1.853 1.00 0.00 C ATOM 1424 CG ASP A 87 18.905 2.623 -1.385 1.00 0.00 C ATOM 1425 OD1 ASP A 87 19.516 3.706 -1.407 1.00 0.00 O ATOM 1426 OD2 ASP A 87 17.755 2.549 -0.940 1.00 0.00 O ATOM 0 H ASP A 87 18.401 -0.453 -3.456 1.00 0.00 H new ATOM 0 HA ASP A 87 19.605 2.208 -3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.092 0.509 -1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 87 20.618 1.372 -1.455 1.00 0.00 H new ATOM 1431 N SER A 88 20.940 -0.773 -3.729 1.00 0.00 N ATOM 1432 CA SER A 88 22.109 -1.589 -3.989 1.00 0.00 C ATOM 1433 C SER A 88 22.083 -2.148 -5.419 1.00 0.00 C ATOM 1434 O SER A 88 22.568 -3.248 -5.678 1.00 0.00 O ATOM 1435 CB SER A 88 22.131 -2.736 -2.977 1.00 0.00 C ATOM 1436 OG SER A 88 22.086 -2.233 -1.645 1.00 0.00 O ATOM 0 H SER A 88 20.093 -1.314 -3.553 1.00 0.00 H new ATOM 0 HA SER A 88 23.006 -0.978 -3.889 1.00 0.00 H new ATOM 0 HB2 SER A 88 21.282 -3.397 -3.150 1.00 0.00 H new ATOM 0 HB3 SER A 88 23.033 -3.333 -3.116 1.00 0.00 H new ATOM 0 HG SER A 88 22.099 -2.981 -1.012 1.00 0.00 H new ATOM 1442 N LEU A 89 21.590 -1.363 -6.365 1.00 0.00 N ATOM 1443 CA LEU A 89 21.482 -1.820 -7.746 1.00 0.00 C ATOM 1444 C LEU A 89 22.801 -1.538 -8.508 1.00 0.00 C ATOM 1445 O LEU A 89 22.845 -1.549 -9.731 1.00 0.00 O ATOM 1446 CB LEU A 89 20.277 -1.151 -8.432 1.00 0.00 C ATOM 1447 CG LEU A 89 19.812 -1.779 -9.753 1.00 0.00 C ATOM 1448 CD1 LEU A 89 19.369 -3.215 -9.526 1.00 0.00 C ATOM 1449 CD2 LEU A 89 18.684 -0.971 -10.364 1.00 0.00 C ATOM 0 H LEU A 89 21.260 -0.411 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 89 21.317 -2.897 -7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 89 19.439 -1.159 -7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 89 20.526 -0.106 -8.619 1.00 0.00 H new ATOM 0 HG LEU A 89 20.651 -1.776 -10.449 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.042 -3.648 -10.471 1.00 0.00 H new ATOM 0 HD12 LEU A 89 20.203 -3.795 -9.130 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.544 -3.233 -8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 89 18.370 -1.434 -11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.842 -0.942 -9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 89 19.028 0.045 -10.560 1.00 0.00 H new ATOM 1461 N LYS A 90 23.873 -1.328 -7.743 1.00 0.00 N ATOM 1462 CA LYS A 90 25.224 -1.087 -8.261 1.00 0.00 C ATOM 1463 C LYS A 90 25.699 -2.298 -9.060 1.00 0.00 C ATOM 1464 O LYS A 90 26.508 -2.180 -9.981 1.00 0.00 O ATOM 1465 CB LYS A 90 26.167 -0.846 -7.080 1.00 0.00 C ATOM 1466 CG LYS A 90 27.602 -0.491 -7.438 1.00 0.00 C ATOM 1467 CD LYS A 90 27.697 0.823 -8.192 1.00 0.00 C ATOM 1468 CE LYS A 90 29.146 1.260 -8.357 1.00 0.00 C ATOM 1469 NZ LYS A 90 29.952 0.271 -9.094 1.00 0.00 N ATOM 0 H LYS A 90 23.827 -1.320 -6.724 1.00 0.00 H new ATOM 0 HA LYS A 90 25.217 -0.216 -8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 90 25.756 -0.042 -6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 90 26.179 -1.743 -6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 90 28.197 -0.429 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 90 28.031 -1.288 -8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 90 27.233 0.717 -9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 90 27.141 1.593 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 90 29.177 2.214 -8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 90 29.587 1.424 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 30.902 0.658 -9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 30.031 -0.601 -8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 29.493 0.057 -10.002 1.00 0.00 H new ATOM 1483 N LEU A 91 25.214 -3.450 -8.678 1.00 0.00 N ATOM 1484 CA LEU A 91 25.519 -4.668 -9.375 1.00 0.00 C ATOM 1485 C LEU A 91 24.526 -4.805 -10.503 1.00 0.00 C ATOM 1486 O LEU A 91 23.305 -4.786 -10.268 1.00 0.00 O ATOM 1487 CB LEU A 91 25.449 -5.908 -8.451 1.00 0.00 C ATOM 1488 CG LEU A 91 26.497 -6.029 -7.314 1.00 0.00 C ATOM 1489 CD1 LEU A 91 26.298 -4.983 -6.218 1.00 0.00 C ATOM 1490 CD2 LEU A 91 26.475 -7.430 -6.724 1.00 0.00 C ATOM 0 H LEU A 91 24.597 -3.569 -7.875 1.00 0.00 H new ATOM 0 HA LEU A 91 26.542 -4.619 -9.749 1.00 0.00 H new ATOM 0 HB2 LEU A 91 24.459 -5.930 -7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 91 25.532 -6.796 -9.077 1.00 0.00 H new ATOM 0 HG LEU A 91 27.474 -5.840 -7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 91 27.058 -5.114 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 91 26.384 -3.985 -6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 91 25.309 -5.103 -5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 91 27.215 -7.501 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 91 25.485 -7.639 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 91 26.709 -8.156 -7.502 1.00 0.00 H new ATOM 1502 N LYS A 92 25.019 -4.885 -11.708 1.00 0.00 N ATOM 1503 CA LYS A 92 24.162 -4.982 -12.858 1.00 0.00 C ATOM 1504 C LYS A 92 23.661 -6.392 -13.055 1.00 0.00 C ATOM 1505 O LYS A 92 24.438 -7.313 -13.340 1.00 0.00 O ATOM 1506 CB LYS A 92 24.834 -4.467 -14.128 1.00 0.00 C ATOM 1507 CG LYS A 92 25.204 -2.999 -14.086 1.00 0.00 C ATOM 1508 CD LYS A 92 25.724 -2.536 -15.432 1.00 0.00 C ATOM 1509 CE LYS A 92 26.154 -1.085 -15.393 1.00 0.00 C ATOM 1510 NZ LYS A 92 26.585 -0.608 -16.717 1.00 0.00 N ATOM 0 H LYS A 92 26.017 -4.885 -11.920 1.00 0.00 H new ATOM 0 HA LYS A 92 23.305 -4.338 -12.660 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.736 -5.052 -14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.167 -4.637 -14.973 1.00 0.00 H new ATOM 0 HG2 LYS A 92 24.333 -2.408 -13.805 1.00 0.00 H new ATOM 0 HG3 LYS A 92 25.963 -2.832 -13.321 1.00 0.00 H new ATOM 0 HD2 LYS A 92 26.568 -3.158 -15.731 1.00 0.00 H new ATOM 0 HD3 LYS A 92 24.949 -2.666 -16.187 1.00 0.00 H new ATOM 0 HE2 LYS A 92 25.328 -0.470 -15.036 1.00 0.00 H new ATOM 0 HE3 LYS A 92 26.970 -0.967 -14.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 26.872 0.389 -16.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 27.390 -1.178 -17.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 25.798 -0.697 -17.391 1.00 0.00 H new ATOM 1524 N LYS A 93 22.386 -6.561 -12.860 1.00 0.00 N ATOM 1525 CA LYS A 93 21.705 -7.811 -13.080 1.00 0.00 C ATOM 1526 C LYS A 93 20.231 -7.496 -13.097 1.00 0.00 C ATOM 1527 O LYS A 93 19.819 -6.483 -12.517 1.00 0.00 O ATOM 1528 CB LYS A 93 22.050 -8.887 -11.993 1.00 0.00 C ATOM 1529 CG LYS A 93 21.330 -8.787 -10.633 1.00 0.00 C ATOM 1530 CD LYS A 93 21.573 -7.482 -9.887 1.00 0.00 C ATOM 1531 CE LYS A 93 20.838 -7.468 -8.550 1.00 0.00 C ATOM 1532 NZ LYS A 93 19.376 -7.698 -8.699 1.00 0.00 N ATOM 0 H LYS A 93 21.771 -5.815 -12.535 1.00 0.00 H new ATOM 0 HA LYS A 93 22.027 -8.252 -14.023 1.00 0.00 H new ATOM 0 HB2 LYS A 93 21.837 -9.870 -12.414 1.00 0.00 H new ATOM 0 HB3 LYS A 93 23.123 -8.845 -11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 93 20.258 -8.906 -10.793 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.652 -9.617 -10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 93 22.642 -7.349 -9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.239 -6.643 -10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 93 21.259 -8.236 -7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.003 -6.509 -8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.893 -7.447 -7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.009 -7.108 -9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.203 -8.700 -8.916 1.00 0.00 H new ATOM 1546 N ASP A 94 19.446 -8.298 -13.729 1.00 0.00 N ATOM 1547 CA ASP A 94 18.029 -8.021 -13.799 1.00 0.00 C ATOM 1548 C ASP A 94 17.237 -9.178 -13.257 1.00 0.00 C ATOM 1549 O ASP A 94 16.687 -9.102 -12.159 1.00 0.00 O ATOM 1550 CB ASP A 94 17.595 -7.680 -15.232 1.00 0.00 C ATOM 1551 CG ASP A 94 16.114 -7.426 -15.350 1.00 0.00 C ATOM 1552 OD1 ASP A 94 15.684 -6.291 -15.122 1.00 0.00 O ATOM 1553 OD2 ASP A 94 15.359 -8.354 -15.689 1.00 0.00 O ATOM 0 H ASP A 94 19.745 -9.148 -14.206 1.00 0.00 H new ATOM 0 HA ASP A 94 17.827 -7.147 -13.179 1.00 0.00 H new ATOM 0 HB2 ASP A 94 18.138 -6.798 -15.571 1.00 0.00 H new ATOM 0 HB3 ASP A 94 17.872 -8.499 -15.895 1.00 0.00 H new ATOM 1558 N LEU A 95 17.214 -10.258 -13.989 1.00 0.00 N ATOM 1559 CA LEU A 95 16.483 -11.425 -13.592 1.00 0.00 C ATOM 1560 C LEU A 95 17.026 -12.629 -14.325 1.00 0.00 C ATOM 1561 O LEU A 95 17.023 -12.672 -15.563 1.00 0.00 O ATOM 1562 CB LEU A 95 14.990 -11.252 -13.898 1.00 0.00 C ATOM 1563 CG LEU A 95 14.069 -12.377 -13.434 1.00 0.00 C ATOM 1564 CD1 LEU A 95 14.093 -12.501 -11.918 1.00 0.00 C ATOM 1565 CD2 LEU A 95 12.660 -12.135 -13.929 1.00 0.00 C ATOM 0 H LEU A 95 17.703 -10.352 -14.879 1.00 0.00 H new ATOM 0 HA LEU A 95 16.599 -11.570 -12.518 1.00 0.00 H new ATOM 0 HB2 LEU A 95 14.652 -10.323 -13.439 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.873 -11.137 -14.976 1.00 0.00 H new ATOM 0 HG LEU A 95 14.428 -13.316 -13.855 1.00 0.00 H new ATOM 0 HD11 LEU A 95 13.430 -13.309 -11.608 1.00 0.00 H new ATOM 0 HD12 LEU A 95 15.108 -12.718 -11.587 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.758 -11.565 -11.471 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.012 -12.944 -13.592 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.293 -11.188 -13.534 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.658 -12.099 -15.018 1.00 0.00 H new ATOM 1577 N GLU A 96 17.512 -13.574 -13.584 1.00 0.00 N ATOM 1578 CA GLU A 96 18.039 -14.776 -14.130 1.00 0.00 C ATOM 1579 C GLU A 96 17.367 -15.942 -13.442 1.00 0.00 C ATOM 1580 O GLU A 96 16.428 -16.519 -14.022 1.00 0.00 O ATOM 1581 CB GLU A 96 19.553 -14.818 -13.945 1.00 0.00 C ATOM 1582 CG GLU A 96 20.213 -16.056 -14.500 1.00 0.00 C ATOM 1583 CD GLU A 96 21.691 -16.040 -14.293 1.00 0.00 C ATOM 1584 OE1 GLU A 96 22.163 -16.529 -13.254 1.00 0.00 O ATOM 1585 OE2 GLU A 96 22.417 -15.542 -15.167 1.00 0.00 O ATOM 1586 OXT GLU A 96 17.711 -16.251 -12.291 1.00 0.00 O ATOM 0 H GLU A 96 17.553 -13.527 -12.566 1.00 0.00 H new ATOM 0 HA GLU A 96 17.842 -14.828 -15.201 1.00 0.00 H new ATOM 0 HB2 GLU A 96 19.990 -13.942 -14.424 1.00 0.00 H new ATOM 0 HB3 GLU A 96 19.779 -14.746 -12.881 1.00 0.00 H new ATOM 0 HG2 GLU A 96 19.789 -16.939 -14.021 1.00 0.00 H new ATOM 0 HG3 GLU A 96 19.997 -16.136 -15.565 1.00 0.00 H new TER 1593 GLU A 96