USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 834 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 GLY N :NH3+ -174:sc= 0 (180deg=-0.0295) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 82:sc= 0.46 USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= -0.0362 (180deg=-0.309) USER MOD Single : A 21 THR OG1 : rot 74:sc= 0.548 USER MOD Single : A 25 TYR OH : rot -175:sc= -0.211 USER MOD Single : A 27 CYS SG : rot 62:sc= 0.721 USER MOD Single : A 29 CYS SG : rot 112:sc= -0.0562 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.02) USER MOD Single : A 36 LYS NZ :NH3+ -130:sc= -0.192 (180deg=-1.03) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -151:sc= -0.0979 (180deg=-2.15) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00196 USER MOD Single : A 57 GLN : amide:sc= -0.0891 K(o=-0.089,f=-0.88) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -4.48! C(o=-4.5!,f=-10!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 71 TYR OH : rot 1:sc= -0.0136 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -1.98! K(o=-2!,f=-0.34) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.39) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 32:sc= 0.422 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.405 43.059 -25.289 1.00 0.00 N ATOM 2 CA GLY A 1 11.531 44.066 -24.717 1.00 0.00 C ATOM 3 C GLY A 1 11.474 43.992 -23.204 1.00 0.00 C ATOM 4 O GLY A 1 11.492 45.019 -22.524 1.00 0.00 O ATOM 0 H1 GLY A 1 12.490 43.215 -26.314 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.345 43.125 -24.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.007 42.114 -25.114 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.877 45.055 -25.017 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.526 43.943 -25.122 1.00 0.00 H new ATOM 8 N SER A 2 11.402 42.775 -22.674 1.00 0.00 N ATOM 9 CA SER A 2 11.337 42.571 -21.232 1.00 0.00 C ATOM 10 C SER A 2 12.362 41.534 -20.783 1.00 0.00 C ATOM 11 O SER A 2 12.326 40.382 -21.215 1.00 0.00 O ATOM 12 CB SER A 2 9.931 42.127 -20.822 1.00 0.00 C ATOM 13 OG SER A 2 8.964 43.095 -21.189 1.00 0.00 O ATOM 0 H SER A 2 11.387 41.915 -23.222 1.00 0.00 H new ATOM 0 HA SER A 2 11.568 43.518 -20.745 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.694 41.174 -21.296 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.897 41.965 -19.745 1.00 0.00 H new ATOM 0 HG SER A 2 8.074 42.787 -20.918 1.00 0.00 H new ATOM 19 N SER A 3 13.275 41.952 -19.912 1.00 0.00 N ATOM 20 CA SER A 3 14.313 41.061 -19.405 1.00 0.00 C ATOM 21 C SER A 3 14.314 41.040 -17.880 1.00 0.00 C ATOM 22 O SER A 3 14.420 42.082 -17.234 1.00 0.00 O ATOM 23 CB SER A 3 15.685 41.497 -19.923 1.00 0.00 C ATOM 24 OG SER A 3 16.719 40.731 -19.332 1.00 0.00 O ATOM 0 H SER A 3 13.317 42.902 -19.543 1.00 0.00 H new ATOM 0 HA SER A 3 14.101 40.054 -19.763 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.720 41.386 -21.007 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.841 42.554 -19.705 1.00 0.00 H new ATOM 0 HG SER A 3 17.586 41.028 -19.680 1.00 0.00 H new ATOM 30 N GLY A 4 14.195 39.844 -17.311 1.00 0.00 N ATOM 31 CA GLY A 4 14.185 39.709 -15.866 1.00 0.00 C ATOM 32 C GLY A 4 14.497 38.296 -15.414 1.00 0.00 C ATOM 33 O GLY A 4 14.786 37.424 -16.234 1.00 0.00 O ATOM 0 H GLY A 4 14.105 38.967 -17.824 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.915 40.395 -15.435 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.207 40.002 -15.483 1.00 0.00 H new ATOM 37 N SER A 5 14.442 38.068 -14.106 1.00 0.00 N ATOM 38 CA SER A 5 14.727 36.753 -13.546 1.00 0.00 C ATOM 39 C SER A 5 14.044 35.657 -14.358 1.00 0.00 C ATOM 40 O SER A 5 12.816 35.598 -14.433 1.00 0.00 O ATOM 41 CB SER A 5 14.266 36.686 -12.088 1.00 0.00 C ATOM 42 OG SER A 5 15.166 37.374 -11.237 1.00 0.00 O ATOM 0 H SER A 5 14.202 38.778 -13.414 1.00 0.00 H new ATOM 0 HA SER A 5 15.804 36.593 -13.587 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.271 37.121 -11.998 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.189 35.645 -11.775 1.00 0.00 H new ATOM 0 HG SER A 5 14.849 37.318 -10.312 1.00 0.00 H new ATOM 48 N SER A 6 14.848 34.791 -14.965 1.00 0.00 N ATOM 49 CA SER A 6 14.322 33.698 -15.776 1.00 0.00 C ATOM 50 C SER A 6 14.448 32.367 -15.040 1.00 0.00 C ATOM 51 O SER A 6 15.492 32.057 -14.469 1.00 0.00 O ATOM 52 CB SER A 6 15.061 33.626 -17.113 1.00 0.00 C ATOM 53 OG SER A 6 16.365 33.097 -16.948 1.00 0.00 O ATOM 0 H SER A 6 15.866 34.824 -14.911 1.00 0.00 H new ATOM 0 HA SER A 6 13.266 33.892 -15.963 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.499 33.004 -17.810 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.122 34.622 -17.552 1.00 0.00 H new ATOM 0 HG SER A 6 16.815 33.060 -17.818 1.00 0.00 H new ATOM 59 N GLY A 7 13.373 31.584 -15.060 1.00 0.00 N ATOM 60 CA GLY A 7 13.382 30.296 -14.392 1.00 0.00 C ATOM 61 C GLY A 7 12.331 30.200 -13.304 1.00 0.00 C ATOM 62 O GLY A 7 11.194 30.631 -13.491 1.00 0.00 O ATOM 0 H GLY A 7 12.497 31.819 -15.527 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.213 29.508 -15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.367 30.122 -13.958 1.00 0.00 H new ATOM 66 N MET A 8 12.712 29.631 -12.165 1.00 0.00 N ATOM 67 CA MET A 8 11.793 29.478 -11.042 1.00 0.00 C ATOM 68 C MET A 8 11.951 30.627 -10.051 1.00 0.00 C ATOM 69 O MET A 8 13.049 31.151 -9.865 1.00 0.00 O ATOM 70 CB MET A 8 12.033 28.143 -10.337 1.00 0.00 C ATOM 71 CG MET A 8 11.407 26.956 -11.052 1.00 0.00 C ATOM 72 SD MET A 8 12.162 25.387 -10.584 1.00 0.00 S ATOM 73 CE MET A 8 11.769 24.383 -12.016 1.00 0.00 C ATOM 0 H MET A 8 13.650 29.268 -11.995 1.00 0.00 H new ATOM 0 HA MET A 8 10.775 29.495 -11.432 1.00 0.00 H new ATOM 0 HB2 MET A 8 13.107 27.977 -10.247 1.00 0.00 H new ATOM 0 HB3 MET A 8 11.633 28.199 -9.325 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.341 26.923 -10.828 1.00 0.00 H new ATOM 0 HG3 MET A 8 11.502 27.094 -12.129 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.170 23.379 -11.878 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.687 24.328 -12.136 1.00 0.00 H new ATOM 0 HE3 MET A 8 12.210 24.831 -12.906 1.00 0.00 H new ATOM 83 N SER A 9 10.848 31.012 -9.417 1.00 0.00 N ATOM 84 CA SER A 9 10.864 32.101 -8.448 1.00 0.00 C ATOM 85 C SER A 9 11.356 31.612 -7.089 1.00 0.00 C ATOM 86 O SER A 9 11.624 30.425 -6.904 1.00 0.00 O ATOM 87 CB SER A 9 9.466 32.708 -8.308 1.00 0.00 C ATOM 88 OG SER A 9 9.202 33.627 -9.354 1.00 0.00 O ATOM 0 H SER A 9 9.932 30.586 -9.557 1.00 0.00 H new ATOM 0 HA SER A 9 11.551 32.866 -8.810 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.719 31.915 -8.320 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.380 33.213 -7.346 1.00 0.00 H new ATOM 0 HG SER A 9 8.302 33.999 -9.243 1.00 0.00 H new ATOM 94 N VAL A 10 11.474 32.536 -6.141 1.00 0.00 N ATOM 95 CA VAL A 10 11.933 32.200 -4.799 1.00 0.00 C ATOM 96 C VAL A 10 10.864 31.435 -4.028 1.00 0.00 C ATOM 97 O VAL A 10 11.169 30.503 -3.285 1.00 0.00 O ATOM 98 CB VAL A 10 12.319 33.463 -4.006 1.00 0.00 C ATOM 99 CG1 VAL A 10 11.131 34.406 -3.893 1.00 0.00 C ATOM 100 CG2 VAL A 10 12.843 33.087 -2.628 1.00 0.00 C ATOM 0 H VAL A 10 11.258 33.523 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 10 12.814 31.569 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 10 13.114 33.980 -4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.422 35.292 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.804 34.701 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.314 33.901 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.111 33.991 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.071 32.547 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.723 32.453 -2.734 1.00 0.00 H new ATOM 110 N ASP A 11 9.611 31.836 -4.210 1.00 0.00 N ATOM 111 CA ASP A 11 8.494 31.187 -3.532 1.00 0.00 C ATOM 112 C ASP A 11 8.087 29.909 -4.258 1.00 0.00 C ATOM 113 O ASP A 11 7.280 29.128 -3.755 1.00 0.00 O ATOM 114 CB ASP A 11 7.301 32.139 -3.442 1.00 0.00 C ATOM 115 CG ASP A 11 7.710 33.543 -3.043 1.00 0.00 C ATOM 116 OD1 ASP A 11 8.390 33.691 -2.005 1.00 0.00 O ATOM 117 OD2 ASP A 11 7.352 34.494 -3.768 1.00 0.00 O ATOM 0 H ASP A 11 9.343 32.607 -4.821 1.00 0.00 H new ATOM 0 HA ASP A 11 8.816 30.925 -2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.792 32.172 -4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.585 31.752 -2.717 1.00 0.00 H new ATOM 122 N ALA A 12 8.651 29.703 -5.444 1.00 0.00 N ATOM 123 CA ALA A 12 8.347 28.519 -6.238 1.00 0.00 C ATOM 124 C ALA A 12 8.710 27.243 -5.485 1.00 0.00 C ATOM 125 O ALA A 12 7.978 26.254 -5.532 1.00 0.00 O ATOM 126 CB ALA A 12 9.081 28.574 -7.570 1.00 0.00 C ATOM 0 H ALA A 12 9.320 30.340 -5.876 1.00 0.00 H new ATOM 0 HA ALA A 12 7.274 28.505 -6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.845 27.684 -8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.769 29.461 -8.121 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.156 28.616 -7.392 1.00 0.00 H new ATOM 132 N VAL A 13 9.844 27.274 -4.792 1.00 0.00 N ATOM 133 CA VAL A 13 10.303 26.120 -4.029 1.00 0.00 C ATOM 134 C VAL A 13 9.353 25.808 -2.878 1.00 0.00 C ATOM 135 O VAL A 13 9.227 24.659 -2.458 1.00 0.00 O ATOM 136 CB VAL A 13 11.718 26.348 -3.464 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.778 27.653 -2.685 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.137 25.175 -2.590 1.00 0.00 C ATOM 0 H VAL A 13 10.461 28.085 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 13 10.325 25.275 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 13 12.417 26.419 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.785 27.797 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.523 28.482 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.069 27.616 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.139 25.352 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.437 25.071 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.136 24.261 -3.183 1.00 0.00 H new ATOM 148 N GLU A 14 8.684 26.841 -2.373 1.00 0.00 N ATOM 149 CA GLU A 14 7.745 26.676 -1.271 1.00 0.00 C ATOM 150 C GLU A 14 6.521 25.880 -1.712 1.00 0.00 C ATOM 151 O GLU A 14 6.291 24.764 -1.243 1.00 0.00 O ATOM 152 CB GLU A 14 7.312 28.042 -0.733 1.00 0.00 C ATOM 153 CG GLU A 14 6.774 27.994 0.688 1.00 0.00 C ATOM 154 CD GLU A 14 7.878 27.948 1.727 1.00 0.00 C ATOM 155 OE1 GLU A 14 8.347 29.028 2.144 1.00 0.00 O ATOM 156 OE2 GLU A 14 8.272 26.831 2.124 1.00 0.00 O ATOM 0 H GLU A 14 8.776 27.799 -2.710 1.00 0.00 H new ATOM 0 HA GLU A 14 8.249 26.123 -0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.162 28.723 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.546 28.455 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.149 28.869 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.136 27.118 0.802 1.00 0.00 H new ATOM 163 N ILE A 15 5.739 26.460 -2.616 1.00 0.00 N ATOM 164 CA ILE A 15 4.540 25.805 -3.122 1.00 0.00 C ATOM 165 C ILE A 15 4.826 24.358 -3.508 1.00 0.00 C ATOM 166 O ILE A 15 4.025 23.463 -3.234 1.00 0.00 O ATOM 167 CB ILE A 15 3.966 26.546 -4.343 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.470 26.259 -4.486 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.710 26.142 -5.607 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.794 27.084 -5.558 1.00 0.00 C ATOM 0 H ILE A 15 5.915 27.383 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 15 3.806 25.826 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 15 4.099 27.617 -4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.332 25.202 -4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.980 26.448 -3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.292 26.675 -6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.766 26.393 -5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.606 25.068 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.736 26.827 -5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.901 28.143 -5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.258 26.878 -6.523 1.00 0.00 H new ATOM 182 N GLU A 16 5.972 24.136 -4.144 1.00 0.00 N ATOM 183 CA GLU A 16 6.363 22.796 -4.566 1.00 0.00 C ATOM 184 C GLU A 16 6.581 21.887 -3.360 1.00 0.00 C ATOM 185 O GLU A 16 6.111 20.748 -3.332 1.00 0.00 O ATOM 186 CB GLU A 16 7.637 22.855 -5.410 1.00 0.00 C ATOM 187 CG GLU A 16 7.526 23.771 -6.618 1.00 0.00 C ATOM 188 CD GLU A 16 7.023 23.048 -7.853 1.00 0.00 C ATOM 189 OE1 GLU A 16 5.790 22.906 -7.997 1.00 0.00 O ATOM 190 OE2 GLU A 16 7.862 22.626 -8.675 1.00 0.00 O ATOM 0 H GLU A 16 6.645 24.866 -4.378 1.00 0.00 H new ATOM 0 HA GLU A 16 5.554 22.383 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.462 23.193 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.885 21.849 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.852 24.595 -6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.502 24.208 -6.829 1.00 0.00 H new ATOM 197 N THR A 17 7.297 22.398 -2.363 1.00 0.00 N ATOM 198 CA THR A 17 7.579 21.632 -1.155 1.00 0.00 C ATOM 199 C THR A 17 6.294 21.278 -0.416 1.00 0.00 C ATOM 200 O THR A 17 6.196 20.221 0.208 1.00 0.00 O ATOM 201 CB THR A 17 8.508 22.410 -0.203 1.00 0.00 C ATOM 202 OG1 THR A 17 9.847 22.398 -0.707 1.00 0.00 O ATOM 203 CG2 THR A 17 8.480 21.805 1.193 1.00 0.00 C ATOM 0 H THR A 17 7.692 23.338 -2.368 1.00 0.00 H new ATOM 0 HA THR A 17 8.077 20.715 -1.470 1.00 0.00 H new ATOM 0 HB THR A 17 8.153 23.439 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.947 23.098 -1.386 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.143 22.370 1.848 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.464 21.843 1.585 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.813 20.768 1.147 1.00 0.00 H new ATOM 211 N LEU A 18 5.309 22.167 -0.491 1.00 0.00 N ATOM 212 CA LEU A 18 4.028 21.947 0.170 1.00 0.00 C ATOM 213 C LEU A 18 3.344 20.694 -0.369 1.00 0.00 C ATOM 214 O LEU A 18 2.880 19.849 0.397 1.00 0.00 O ATOM 215 CB LEU A 18 3.117 23.161 -0.021 1.00 0.00 C ATOM 216 CG LEU A 18 3.346 24.329 0.939 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.460 25.508 0.566 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.088 23.898 2.375 1.00 0.00 C ATOM 0 H LEU A 18 5.373 23.047 -1.003 1.00 0.00 H new ATOM 0 HA LEU A 18 4.217 21.806 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.240 23.526 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.082 22.833 0.078 1.00 0.00 H new ATOM 0 HG LEU A 18 4.387 24.643 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.637 26.330 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.694 25.833 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.414 25.208 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.256 24.742 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.057 23.557 2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.766 23.086 2.638 1.00 0.00 H new ATOM 230 N ARG A 19 3.288 20.581 -1.692 1.00 0.00 N ATOM 231 CA ARG A 19 2.662 19.431 -2.334 1.00 0.00 C ATOM 232 C ARG A 19 3.370 18.137 -1.941 1.00 0.00 C ATOM 233 O ARG A 19 2.727 17.129 -1.649 1.00 0.00 O ATOM 234 CB ARG A 19 2.683 19.595 -3.854 1.00 0.00 C ATOM 235 CG ARG A 19 1.520 20.410 -4.395 1.00 0.00 C ATOM 236 CD ARG A 19 1.866 21.889 -4.478 1.00 0.00 C ATOM 237 NE ARG A 19 1.009 22.600 -5.422 1.00 0.00 N ATOM 238 CZ ARG A 19 1.053 22.417 -6.737 1.00 0.00 C ATOM 239 NH1 ARG A 19 1.909 21.550 -7.259 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.241 23.102 -7.531 1.00 0.00 N ATOM 0 H ARG A 19 3.668 21.271 -2.340 1.00 0.00 H new ATOM 0 HA ARG A 19 1.627 19.376 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.618 20.073 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.671 18.609 -4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.247 20.043 -5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.650 20.274 -3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.769 22.340 -3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.908 22.001 -4.779 1.00 0.00 H new ATOM 0 HE ARG A 19 0.340 23.274 -5.051 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.535 21.022 -6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.942 21.411 -8.269 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.418 23.770 -7.132 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.276 22.961 -8.541 1.00 0.00 H new ATOM 254 N LYS A 20 4.698 18.173 -1.938 1.00 0.00 N ATOM 255 CA LYS A 20 5.494 17.005 -1.582 1.00 0.00 C ATOM 256 C LYS A 20 5.198 16.560 -0.154 1.00 0.00 C ATOM 257 O LYS A 20 4.897 15.392 0.094 1.00 0.00 O ATOM 258 CB LYS A 20 6.986 17.314 -1.732 1.00 0.00 C ATOM 259 CG LYS A 20 7.503 17.141 -3.149 1.00 0.00 C ATOM 260 CD LYS A 20 8.971 16.749 -3.163 1.00 0.00 C ATOM 261 CE LYS A 20 9.876 17.970 -3.131 1.00 0.00 C ATOM 262 NZ LYS A 20 9.801 18.748 -4.399 1.00 0.00 N ATOM 0 H LYS A 20 5.246 18.999 -2.178 1.00 0.00 H new ATOM 0 HA LYS A 20 5.227 16.194 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.171 18.339 -1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.552 16.663 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.917 16.378 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.368 18.070 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.187 16.113 -2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.183 16.161 -4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.594 18.610 -2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.905 17.655 -2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.652 19.338 -4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.741 18.093 -5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.958 19.356 -4.384 1.00 0.00 H new ATOM 276 N THR A 21 5.284 17.498 0.784 1.00 0.00 N ATOM 277 CA THR A 21 5.025 17.202 2.188 1.00 0.00 C ATOM 278 C THR A 21 3.683 16.497 2.362 1.00 0.00 C ATOM 279 O THR A 21 3.592 15.478 3.047 1.00 0.00 O ATOM 280 CB THR A 21 5.033 18.483 3.043 1.00 0.00 C ATOM 281 OG1 THR A 21 6.310 19.125 2.952 1.00 0.00 O ATOM 282 CG2 THR A 21 4.722 18.165 4.497 1.00 0.00 C ATOM 0 H THR A 21 5.531 18.470 0.597 1.00 0.00 H new ATOM 0 HA THR A 21 5.826 16.544 2.526 1.00 0.00 H new ATOM 0 HB THR A 21 4.262 19.153 2.661 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.400 19.552 2.075 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.733 19.085 5.081 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.737 17.704 4.566 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.473 17.478 4.888 1.00 0.00 H new ATOM 290 N VAL A 22 2.646 17.046 1.737 1.00 0.00 N ATOM 291 CA VAL A 22 1.310 16.468 1.823 1.00 0.00 C ATOM 292 C VAL A 22 1.251 15.114 1.123 1.00 0.00 C ATOM 293 O VAL A 22 0.563 14.201 1.576 1.00 0.00 O ATOM 294 CB VAL A 22 0.255 17.401 1.201 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.148 16.893 1.497 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.434 18.822 1.711 1.00 0.00 C ATOM 0 H VAL A 22 2.705 17.889 1.166 1.00 0.00 H new ATOM 0 HA VAL A 22 1.089 16.336 2.882 1.00 0.00 H new ATOM 0 HB VAL A 22 0.393 17.407 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.880 17.565 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.269 15.894 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.301 16.856 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.320 19.468 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.323 18.836 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.427 19.182 1.443 1.00 0.00 H new ATOM 306 N GLU A 23 1.978 14.994 0.017 1.00 0.00 N ATOM 307 CA GLU A 23 2.008 13.752 -0.746 1.00 0.00 C ATOM 308 C GLU A 23 2.404 12.577 0.143 1.00 0.00 C ATOM 309 O GLU A 23 1.810 11.501 0.071 1.00 0.00 O ATOM 310 CB GLU A 23 2.983 13.870 -1.919 1.00 0.00 C ATOM 311 CG GLU A 23 2.354 14.437 -3.181 1.00 0.00 C ATOM 312 CD GLU A 23 3.177 14.153 -4.421 1.00 0.00 C ATOM 313 OE1 GLU A 23 3.281 12.969 -4.806 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.717 15.114 -5.008 1.00 0.00 O ATOM 0 H GLU A 23 2.554 15.741 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 23 1.006 13.570 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.818 14.505 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.394 12.885 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.357 14.015 -3.307 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.232 15.514 -3.069 1.00 0.00 H new ATOM 321 N ASP A 24 3.413 12.790 0.980 1.00 0.00 N ATOM 322 CA ASP A 24 3.891 11.750 1.884 1.00 0.00 C ATOM 323 C ASP A 24 2.835 11.419 2.936 1.00 0.00 C ATOM 324 O ASP A 24 2.494 10.254 3.142 1.00 0.00 O ATOM 325 CB ASP A 24 5.186 12.193 2.567 1.00 0.00 C ATOM 326 CG ASP A 24 6.092 11.023 2.900 1.00 0.00 C ATOM 327 OD1 ASP A 24 5.598 10.041 3.492 1.00 0.00 O ATOM 328 OD2 ASP A 24 7.295 11.092 2.572 1.00 0.00 O ATOM 0 H ASP A 24 3.916 13.674 1.052 1.00 0.00 H new ATOM 0 HA ASP A 24 4.088 10.854 1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.718 12.887 1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.945 12.734 3.482 1.00 0.00 H new ATOM 333 N TYR A 25 2.323 12.451 3.598 1.00 0.00 N ATOM 334 CA TYR A 25 1.310 12.269 4.631 1.00 0.00 C ATOM 335 C TYR A 25 0.263 11.249 4.194 1.00 0.00 C ATOM 336 O TYR A 25 0.131 10.182 4.794 1.00 0.00 O ATOM 337 CB TYR A 25 0.635 13.603 4.953 1.00 0.00 C ATOM 338 CG TYR A 25 0.055 13.667 6.347 1.00 0.00 C ATOM 339 CD1 TYR A 25 0.878 13.831 7.456 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.314 13.564 6.558 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.354 13.891 8.733 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.847 13.623 7.832 1.00 0.00 C ATOM 343 CZ TYR A 25 -1.009 13.787 8.915 1.00 0.00 C ATOM 344 OH TYR A 25 -1.537 13.844 10.184 1.00 0.00 O ATOM 0 H TYR A 25 2.593 13.422 3.438 1.00 0.00 H new ATOM 0 HA TYR A 25 1.805 11.894 5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.362 14.406 4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.160 13.782 4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.946 13.913 7.317 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.973 13.436 5.712 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.008 14.019 9.583 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.914 13.541 7.979 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.502 13.677 10.145 1.00 0.00 H new ATOM 354 N PHE A 26 -0.478 11.584 3.144 1.00 0.00 N ATOM 355 CA PHE A 26 -1.513 10.699 2.624 1.00 0.00 C ATOM 356 C PHE A 26 -1.016 9.258 2.561 1.00 0.00 C ATOM 357 O PHE A 26 -1.774 8.317 2.795 1.00 0.00 O ATOM 358 CB PHE A 26 -1.957 11.158 1.234 1.00 0.00 C ATOM 359 CG PHE A 26 -2.710 12.458 1.243 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.714 12.685 2.170 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.412 13.453 0.326 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.408 13.880 2.183 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.103 14.649 0.334 1.00 0.00 C ATOM 364 CZ PHE A 26 -4.103 14.863 1.263 1.00 0.00 C ATOM 0 H PHE A 26 -0.381 12.463 2.636 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.365 10.742 3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.079 11.261 0.596 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.585 10.387 0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.957 11.919 2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.631 13.292 -0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.188 14.045 2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.862 15.417 -0.386 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.645 15.797 1.269 1.00 0.00 H new ATOM 374 N CYS A 27 0.264 9.094 2.244 1.00 0.00 N ATOM 375 CA CYS A 27 0.865 7.768 2.149 1.00 0.00 C ATOM 376 C CYS A 27 1.060 7.159 3.532 1.00 0.00 C ATOM 377 O CYS A 27 0.897 5.953 3.721 1.00 0.00 O ATOM 378 CB CYS A 27 2.206 7.844 1.417 1.00 0.00 C ATOM 379 SG CYS A 27 2.136 8.721 -0.163 1.00 0.00 S ATOM 0 H CYS A 27 0.905 9.863 2.048 1.00 0.00 H new ATOM 0 HA CYS A 27 0.187 7.129 1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.933 8.338 2.062 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.570 6.832 1.243 1.00 0.00 H new ATOM 0 HG CYS A 27 1.773 9.953 0.040 1.00 0.00 H new ATOM 385 N PHE A 28 1.413 8.000 4.499 1.00 0.00 N ATOM 386 CA PHE A 28 1.634 7.544 5.867 1.00 0.00 C ATOM 387 C PHE A 28 0.331 7.062 6.497 1.00 0.00 C ATOM 388 O PHE A 28 0.283 5.994 7.109 1.00 0.00 O ATOM 389 CB PHE A 28 2.236 8.669 6.711 1.00 0.00 C ATOM 390 CG PHE A 28 2.019 8.493 8.187 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.789 7.596 8.911 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.047 9.223 8.849 1.00 0.00 C ATOM 393 CE1 PHE A 28 2.591 7.433 10.269 1.00 0.00 C ATOM 394 CE2 PHE A 28 0.846 9.065 10.207 1.00 0.00 C ATOM 395 CZ PHE A 28 1.618 8.166 10.918 1.00 0.00 C ATOM 0 H PHE A 28 1.552 9.001 4.361 1.00 0.00 H new ATOM 0 HA PHE A 28 2.333 6.708 5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.306 8.728 6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.802 9.619 6.399 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.551 7.019 8.409 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.438 9.924 8.298 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.198 6.732 10.823 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.087 9.643 10.712 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.460 8.037 11.979 1.00 0.00 H new ATOM 405 N CYS A 29 -0.723 7.856 6.343 1.00 0.00 N ATOM 406 CA CYS A 29 -2.027 7.512 6.897 1.00 0.00 C ATOM 407 C CYS A 29 -2.580 6.249 6.245 1.00 0.00 C ATOM 408 O CYS A 29 -3.168 5.400 6.914 1.00 0.00 O ATOM 409 CB CYS A 29 -3.008 8.670 6.705 1.00 0.00 C ATOM 410 SG CYS A 29 -2.439 10.242 7.395 1.00 0.00 S ATOM 0 H CYS A 29 -0.700 8.742 5.839 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.902 7.324 7.963 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.196 8.800 5.639 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.960 8.406 7.166 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.201 11.079 6.429 1.00 0.00 H new ATOM 416 N TYR A 30 -2.386 6.132 4.937 1.00 0.00 N ATOM 417 CA TYR A 30 -2.868 4.973 4.194 1.00 0.00 C ATOM 418 C TYR A 30 -2.077 3.723 4.560 1.00 0.00 C ATOM 419 O TYR A 30 -2.649 2.668 4.828 1.00 0.00 O ATOM 420 CB TYR A 30 -2.770 5.231 2.688 1.00 0.00 C ATOM 421 CG TYR A 30 -3.189 4.048 1.844 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.330 3.318 2.153 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.444 3.660 0.738 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.717 2.237 1.385 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.823 2.582 -0.037 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.960 1.873 0.290 1.00 0.00 C ATOM 427 OH TYR A 30 -4.341 0.797 -0.478 1.00 0.00 O ATOM 0 H TYR A 30 -1.899 6.825 4.369 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.912 4.810 4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.394 6.088 2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.743 5.499 2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.925 3.601 3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.552 4.211 0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.607 1.680 1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.232 2.296 -0.895 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.701 0.675 -1.211 1.00 0.00 H new ATOM 437 N GLY A 31 -0.752 3.850 4.570 1.00 0.00 N ATOM 438 CA GLY A 31 0.099 2.723 4.905 1.00 0.00 C ATOM 439 C GLY A 31 0.070 2.396 6.385 1.00 0.00 C ATOM 440 O GLY A 31 0.262 1.245 6.778 1.00 0.00 O ATOM 0 H GLY A 31 -0.254 4.713 4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.219 1.849 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.123 2.943 4.604 1.00 0.00 H new ATOM 444 N LYS A 32 -0.168 3.410 7.209 1.00 0.00 N ATOM 445 CA LYS A 32 -0.220 3.226 8.655 1.00 0.00 C ATOM 446 C LYS A 32 -1.432 2.389 9.053 1.00 0.00 C ATOM 447 O LYS A 32 -1.316 1.446 9.835 1.00 0.00 O ATOM 448 CB LYS A 32 -0.269 4.583 9.360 1.00 0.00 C ATOM 449 CG LYS A 32 -0.766 4.505 10.794 1.00 0.00 C ATOM 450 CD LYS A 32 -2.277 4.643 10.868 1.00 0.00 C ATOM 451 CE LYS A 32 -2.714 5.290 12.175 1.00 0.00 C ATOM 452 NZ LYS A 32 -2.312 4.477 13.357 1.00 0.00 N ATOM 0 H LYS A 32 -0.328 4.369 6.900 1.00 0.00 H new ATOM 0 HA LYS A 32 0.682 2.696 8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.728 5.023 9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.917 5.253 8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.465 3.554 11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.298 5.292 11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.630 5.241 10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.738 3.660 10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.276 6.285 12.252 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.796 5.418 12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.728 4.886 14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.651 3.501 13.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.275 4.475 13.441 1.00 0.00 H new ATOM 466 N ALA A 33 -2.592 2.741 8.510 1.00 0.00 N ATOM 467 CA ALA A 33 -3.824 2.019 8.807 1.00 0.00 C ATOM 468 C ALA A 33 -3.743 0.574 8.326 1.00 0.00 C ATOM 469 O ALA A 33 -4.330 -0.325 8.930 1.00 0.00 O ATOM 470 CB ALA A 33 -5.013 2.723 8.170 1.00 0.00 C ATOM 0 H ALA A 33 -2.705 3.521 7.863 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.958 2.007 9.889 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.926 2.174 8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.090 3.736 8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.876 2.764 7.089 1.00 0.00 H new ATOM 476 N LEU A 34 -3.014 0.357 7.237 1.00 0.00 N ATOM 477 CA LEU A 34 -2.857 -0.979 6.675 1.00 0.00 C ATOM 478 C LEU A 34 -2.168 -1.909 7.668 1.00 0.00 C ATOM 479 O LEU A 34 -2.489 -3.095 7.750 1.00 0.00 O ATOM 480 CB LEU A 34 -2.053 -0.916 5.375 1.00 0.00 C ATOM 481 CG LEU A 34 -2.864 -0.730 4.093 1.00 0.00 C ATOM 482 CD1 LEU A 34 -1.960 -0.307 2.946 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.610 -2.010 3.743 1.00 0.00 C ATOM 0 H LEU A 34 -2.522 1.090 6.726 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.850 -1.376 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.339 -0.096 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.474 -1.835 5.285 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.597 0.059 4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.555 -0.179 2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.472 0.635 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.203 -1.073 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.182 -1.859 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.895 -2.819 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.288 -2.270 4.556 1.00 0.00 H new ATOM 495 N GLY A 35 -1.219 -1.364 8.423 1.00 0.00 N ATOM 496 CA GLY A 35 -0.501 -2.159 9.402 1.00 0.00 C ATOM 497 C GLY A 35 0.868 -2.586 8.911 1.00 0.00 C ATOM 498 O GLY A 35 1.425 -3.577 9.384 1.00 0.00 O ATOM 0 H GLY A 35 -0.935 -0.386 8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.391 -1.584 10.322 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.088 -3.044 9.648 1.00 0.00 H new ATOM 502 N LYS A 36 1.412 -1.838 7.957 1.00 0.00 N ATOM 503 CA LYS A 36 2.725 -2.143 7.400 1.00 0.00 C ATOM 504 C LYS A 36 3.821 -1.391 8.147 1.00 0.00 C ATOM 505 O LYS A 36 3.544 -0.619 9.064 1.00 0.00 O ATOM 506 CB LYS A 36 2.766 -1.784 5.913 1.00 0.00 C ATOM 507 CG LYS A 36 1.589 -2.327 5.123 1.00 0.00 C ATOM 508 CD LYS A 36 1.998 -2.727 3.715 1.00 0.00 C ATOM 509 CE LYS A 36 2.115 -1.516 2.804 1.00 0.00 C ATOM 510 NZ LYS A 36 2.880 -1.827 1.564 1.00 0.00 N ATOM 0 H LYS A 36 0.964 -1.016 7.553 1.00 0.00 H new ATOM 0 HA LYS A 36 2.902 -3.213 7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.792 -0.699 5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.690 -2.167 5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.170 -3.190 5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.804 -1.573 5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.952 -3.253 3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.265 -3.422 3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.118 -1.164 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.607 -0.704 3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.619 -1.109 1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.321 -2.764 1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.235 -1.825 0.748 1.00 0.00 H new ATOM 524 N SER A 37 5.068 -1.619 7.746 1.00 0.00 N ATOM 525 CA SER A 37 6.207 -0.964 8.379 1.00 0.00 C ATOM 526 C SER A 37 6.798 0.102 7.463 1.00 0.00 C ATOM 527 O SER A 37 7.932 0.543 7.653 1.00 0.00 O ATOM 528 CB SER A 37 7.279 -1.994 8.739 1.00 0.00 C ATOM 529 OG SER A 37 6.732 -3.051 9.509 1.00 0.00 O ATOM 0 H SER A 37 5.315 -2.252 6.986 1.00 0.00 H new ATOM 0 HA SER A 37 5.856 -0.481 9.291 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.723 -2.395 7.828 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.080 -1.510 9.297 1.00 0.00 H new ATOM 0 HG SER A 37 7.437 -3.697 9.725 1.00 0.00 H new ATOM 535 N THR A 38 6.021 0.515 6.466 1.00 0.00 N ATOM 536 CA THR A 38 6.465 1.528 5.519 1.00 0.00 C ATOM 537 C THR A 38 5.282 2.295 4.936 1.00 0.00 C ATOM 538 O THR A 38 4.137 1.851 5.029 1.00 0.00 O ATOM 539 CB THR A 38 7.276 0.905 4.366 1.00 0.00 C ATOM 540 OG1 THR A 38 6.498 -0.104 3.712 1.00 0.00 O ATOM 541 CG2 THR A 38 8.572 0.298 4.883 1.00 0.00 C ATOM 0 H THR A 38 5.080 0.162 6.294 1.00 0.00 H new ATOM 0 HA THR A 38 7.104 2.216 6.072 1.00 0.00 H new ATOM 0 HB THR A 38 7.521 1.693 3.654 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.018 -0.495 2.979 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.128 -0.136 4.052 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.174 1.074 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.344 -0.480 5.612 1.00 0.00 H new ATOM 549 N VAL A 39 5.566 3.446 4.335 1.00 0.00 N ATOM 550 CA VAL A 39 4.525 4.271 3.736 1.00 0.00 C ATOM 551 C VAL A 39 4.082 3.707 2.391 1.00 0.00 C ATOM 552 O VAL A 39 4.882 3.134 1.652 1.00 0.00 O ATOM 553 CB VAL A 39 5.005 5.723 3.538 1.00 0.00 C ATOM 554 CG1 VAL A 39 4.787 6.534 4.805 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.468 5.747 3.123 1.00 0.00 C ATOM 0 H VAL A 39 6.508 3.828 4.250 1.00 0.00 H new ATOM 0 HA VAL A 39 3.680 4.265 4.425 1.00 0.00 H new ATOM 0 HB VAL A 39 4.418 6.177 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.132 7.556 4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.726 6.543 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.347 6.085 5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.791 6.779 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.074 5.276 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.589 5.203 2.186 1.00 0.00 H new ATOM 565 N VAL A 40 2.800 3.873 2.079 1.00 0.00 N ATOM 566 CA VAL A 40 2.248 3.381 0.823 1.00 0.00 C ATOM 567 C VAL A 40 1.709 4.526 -0.026 1.00 0.00 C ATOM 568 O VAL A 40 0.997 5.408 0.456 1.00 0.00 O ATOM 569 CB VAL A 40 1.121 2.360 1.065 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.557 1.863 -0.257 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.626 1.200 1.909 1.00 0.00 C ATOM 0 H VAL A 40 2.124 4.345 2.680 1.00 0.00 H new ATOM 0 HA VAL A 40 3.063 2.890 0.291 1.00 0.00 H new ATOM 0 HB VAL A 40 0.318 2.854 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.238 1.142 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.156 2.705 -0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.349 1.385 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.817 0.488 2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.448 0.704 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.976 1.575 2.871 1.00 0.00 H new ATOM 581 N PRO A 41 2.053 4.515 -1.322 1.00 0.00 N ATOM 582 CA PRO A 41 1.612 5.546 -2.268 1.00 0.00 C ATOM 583 C PRO A 41 0.118 5.462 -2.562 1.00 0.00 C ATOM 584 O PRO A 41 -0.360 4.473 -3.117 1.00 0.00 O ATOM 585 CB PRO A 41 2.424 5.242 -3.529 1.00 0.00 C ATOM 586 CG PRO A 41 2.743 3.790 -3.432 1.00 0.00 C ATOM 587 CD PRO A 41 2.897 3.495 -1.966 1.00 0.00 C ATOM 0 HA PRO A 41 1.768 6.551 -1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.853 5.463 -4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.331 5.845 -3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.948 3.186 -3.870 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.658 3.555 -3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.565 2.486 -1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.936 3.574 -1.647 1.00 0.00 H new ATOM 595 N VAL A 42 -0.614 6.507 -2.187 1.00 0.00 N ATOM 596 CA VAL A 42 -2.053 6.551 -2.413 1.00 0.00 C ATOM 597 C VAL A 42 -2.372 6.719 -3.895 1.00 0.00 C ATOM 598 O VAL A 42 -2.110 7.761 -4.497 1.00 0.00 O ATOM 599 CB VAL A 42 -2.709 7.700 -1.625 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.205 7.751 -1.900 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.438 7.546 -0.136 1.00 0.00 C ATOM 0 H VAL A 42 -0.234 7.333 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.458 5.602 -2.063 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.271 8.641 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.651 8.569 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.374 7.911 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.663 6.809 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.909 8.366 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.848 6.598 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.363 7.563 0.042 1.00 0.00 H new ATOM 611 N PRO A 43 -2.952 5.672 -4.498 1.00 0.00 N ATOM 612 CA PRO A 43 -3.321 5.679 -5.917 1.00 0.00 C ATOM 613 C PRO A 43 -4.488 6.617 -6.207 1.00 0.00 C ATOM 614 O PRO A 43 -5.632 6.180 -6.333 1.00 0.00 O ATOM 615 CB PRO A 43 -3.723 4.226 -6.186 1.00 0.00 C ATOM 616 CG PRO A 43 -4.150 3.699 -4.860 1.00 0.00 C ATOM 617 CD PRO A 43 -3.294 4.399 -3.840 1.00 0.00 C ATOM 0 HA PRO A 43 -2.507 6.034 -6.549 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.532 4.167 -6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.888 3.653 -6.590 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.207 3.897 -4.684 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.015 2.619 -4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.833 4.561 -2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.403 3.820 -3.597 1.00 0.00 H new ATOM 625 N TYR A 44 -4.191 7.907 -6.314 1.00 0.00 N ATOM 626 CA TYR A 44 -5.215 8.907 -6.588 1.00 0.00 C ATOM 627 C TYR A 44 -6.080 8.491 -7.774 1.00 0.00 C ATOM 628 O TYR A 44 -7.308 8.507 -7.696 1.00 0.00 O ATOM 629 CB TYR A 44 -4.570 10.266 -6.866 1.00 0.00 C ATOM 630 CG TYR A 44 -3.494 10.640 -5.872 1.00 0.00 C ATOM 631 CD1 TYR A 44 -3.818 11.215 -4.650 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.152 10.418 -6.155 1.00 0.00 C ATOM 633 CE1 TYR A 44 -2.838 11.559 -3.739 1.00 0.00 C ATOM 634 CE2 TYR A 44 -1.165 10.757 -5.250 1.00 0.00 C ATOM 635 CZ TYR A 44 -1.514 11.328 -4.044 1.00 0.00 C ATOM 636 OH TYR A 44 -0.534 11.668 -3.139 1.00 0.00 O ATOM 0 H TYR A 44 -3.249 8.285 -6.215 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.852 8.988 -5.707 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.140 10.257 -7.868 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.343 11.034 -6.858 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.855 11.396 -4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.876 9.973 -7.099 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.108 12.006 -2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.127 10.576 -5.485 1.00 0.00 H new ATOM 0 HH TYR A 44 0.345 11.439 -3.507 1.00 0.00 H new ATOM 646 N GLU A 45 -5.428 8.116 -8.871 1.00 0.00 N ATOM 647 CA GLU A 45 -6.138 7.694 -10.073 1.00 0.00 C ATOM 648 C GLU A 45 -7.268 6.729 -9.727 1.00 0.00 C ATOM 649 O GLU A 45 -8.409 6.914 -10.153 1.00 0.00 O ATOM 650 CB GLU A 45 -5.169 7.032 -11.056 1.00 0.00 C ATOM 651 CG GLU A 45 -5.856 6.423 -12.269 1.00 0.00 C ATOM 652 CD GLU A 45 -4.959 6.393 -13.491 1.00 0.00 C ATOM 653 OE1 GLU A 45 -4.723 7.468 -14.080 1.00 0.00 O ATOM 654 OE2 GLU A 45 -4.494 5.294 -13.859 1.00 0.00 O ATOM 0 H GLU A 45 -4.411 8.096 -8.952 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.571 8.579 -10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.444 7.773 -11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.611 6.254 -10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.174 5.408 -12.031 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.756 6.994 -12.497 1.00 0.00 H new ATOM 661 N LYS A 46 -6.943 5.698 -8.954 1.00 0.00 N ATOM 662 CA LYS A 46 -7.930 4.703 -8.550 1.00 0.00 C ATOM 663 C LYS A 46 -8.904 5.286 -7.532 1.00 0.00 C ATOM 664 O LYS A 46 -10.118 5.261 -7.735 1.00 0.00 O ATOM 665 CB LYS A 46 -7.233 3.475 -7.961 1.00 0.00 C ATOM 666 CG LYS A 46 -6.285 2.789 -8.930 1.00 0.00 C ATOM 667 CD LYS A 46 -5.900 1.402 -8.446 1.00 0.00 C ATOM 668 CE LYS A 46 -4.701 0.858 -9.208 1.00 0.00 C ATOM 669 NZ LYS A 46 -3.942 -0.142 -8.407 1.00 0.00 N ATOM 0 H LYS A 46 -6.003 5.530 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.493 4.404 -9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.677 3.775 -7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.989 2.759 -7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.756 2.715 -9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.387 3.395 -9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.670 1.438 -7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.746 0.726 -8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.039 0.398 -10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.041 1.681 -9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.133 -0.489 -8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.597 0.303 -7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.565 -0.940 -8.167 1.00 0.00 H new ATOM 683 N MET A 47 -8.364 5.812 -6.437 1.00 0.00 N ATOM 684 CA MET A 47 -9.187 6.403 -5.387 1.00 0.00 C ATOM 685 C MET A 47 -10.188 7.393 -5.975 1.00 0.00 C ATOM 686 O MET A 47 -11.192 7.725 -5.344 1.00 0.00 O ATOM 687 CB MET A 47 -8.306 7.105 -4.354 1.00 0.00 C ATOM 688 CG MET A 47 -7.633 6.151 -3.379 1.00 0.00 C ATOM 689 SD MET A 47 -8.689 5.728 -1.981 1.00 0.00 S ATOM 690 CE MET A 47 -8.431 7.148 -0.920 1.00 0.00 C ATOM 0 H MET A 47 -7.361 5.841 -6.254 1.00 0.00 H new ATOM 0 HA MET A 47 -9.739 5.601 -4.898 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.540 7.681 -4.873 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.913 7.815 -3.793 1.00 0.00 H new ATOM 0 HG2 MET A 47 -7.351 5.239 -3.905 1.00 0.00 H new ATOM 0 HG3 MET A 47 -6.713 6.604 -3.010 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.557 6.852 0.121 1.00 0.00 H new ATOM 0 HE2 MET A 47 -7.422 7.534 -1.068 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.156 7.923 -1.167 1.00 0.00 H new ATOM 700 N LEU A 48 -9.910 7.860 -7.188 1.00 0.00 N ATOM 701 CA LEU A 48 -10.787 8.812 -7.861 1.00 0.00 C ATOM 702 C LEU A 48 -11.992 8.104 -8.473 1.00 0.00 C ATOM 703 O LEU A 48 -13.096 8.647 -8.498 1.00 0.00 O ATOM 704 CB LEU A 48 -10.017 9.565 -8.947 1.00 0.00 C ATOM 705 CG LEU A 48 -9.167 10.743 -8.473 1.00 0.00 C ATOM 706 CD1 LEU A 48 -8.292 11.261 -9.604 1.00 0.00 C ATOM 707 CD2 LEU A 48 -10.054 11.856 -7.931 1.00 0.00 C ATOM 0 H LEU A 48 -9.084 7.595 -7.725 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.146 9.525 -7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.366 8.857 -9.460 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.732 9.932 -9.683 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.518 10.397 -7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.694 12.100 -9.247 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.631 10.465 -9.947 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.922 11.590 -10.430 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.432 12.687 -7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.728 12.199 -8.716 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.637 11.480 -7.091 1.00 0.00 H new ATOM 719 N ARG A 49 -11.771 6.889 -8.964 1.00 0.00 N ATOM 720 CA ARG A 49 -12.838 6.106 -9.575 1.00 0.00 C ATOM 721 C ARG A 49 -13.716 5.458 -8.508 1.00 0.00 C ATOM 722 O ARG A 49 -14.938 5.403 -8.645 1.00 0.00 O ATOM 723 CB ARG A 49 -12.251 5.031 -10.491 1.00 0.00 C ATOM 724 CG ARG A 49 -10.965 5.455 -11.182 1.00 0.00 C ATOM 725 CD ARG A 49 -11.147 6.757 -11.947 1.00 0.00 C ATOM 726 NE ARG A 49 -10.256 6.843 -13.101 1.00 0.00 N ATOM 727 CZ ARG A 49 -10.497 7.609 -14.159 1.00 0.00 C ATOM 728 NH1 ARG A 49 -11.594 8.351 -14.209 1.00 0.00 N ATOM 729 NH2 ARG A 49 -9.637 7.634 -15.170 1.00 0.00 N ATOM 0 H ARG A 49 -10.862 6.426 -8.951 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.455 6.780 -10.168 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.059 4.132 -9.905 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.990 4.767 -11.248 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.175 5.575 -10.441 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.643 4.671 -11.867 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.181 6.840 -12.281 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.959 7.599 -11.280 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.402 6.285 -13.094 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.256 8.335 -13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.776 8.938 -15.023 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.791 7.065 -15.134 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.822 8.222 -15.983 1.00 0.00 H new ATOM 743 N ASP A 50 -13.084 4.967 -7.448 1.00 0.00 N ATOM 744 CA ASP A 50 -13.806 4.323 -6.358 1.00 0.00 C ATOM 745 C ASP A 50 -13.341 4.858 -5.007 1.00 0.00 C ATOM 746 O ASP A 50 -12.311 4.435 -4.483 1.00 0.00 O ATOM 747 CB ASP A 50 -13.612 2.807 -6.414 1.00 0.00 C ATOM 748 CG ASP A 50 -14.668 2.118 -7.255 1.00 0.00 C ATOM 749 OD1 ASP A 50 -15.863 2.223 -6.908 1.00 0.00 O ATOM 750 OD2 ASP A 50 -14.301 1.475 -8.259 1.00 0.00 O ATOM 0 H ASP A 50 -12.073 5.003 -7.321 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.866 4.550 -6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.626 2.585 -6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.637 2.403 -5.402 1.00 0.00 H new ATOM 755 N GLN A 51 -14.109 5.789 -4.449 1.00 0.00 N ATOM 756 CA GLN A 51 -13.774 6.382 -3.160 1.00 0.00 C ATOM 757 C GLN A 51 -14.326 5.543 -2.014 1.00 0.00 C ATOM 758 O GLN A 51 -14.878 6.075 -1.051 1.00 0.00 O ATOM 759 CB GLN A 51 -14.322 7.808 -3.074 1.00 0.00 C ATOM 760 CG GLN A 51 -13.901 8.693 -4.237 1.00 0.00 C ATOM 761 CD GLN A 51 -14.439 10.105 -4.118 1.00 0.00 C ATOM 762 OE1 GLN A 51 -15.414 10.354 -3.409 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.804 11.041 -4.815 1.00 0.00 N ATOM 0 H GLN A 51 -14.966 6.148 -4.869 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.688 6.411 -3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.411 7.768 -3.034 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.985 8.262 -2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.813 8.726 -4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.251 8.252 -5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.000 10.791 -5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.121 12.010 -4.775 1.00 0.00 H new ATOM 772 N SER A 52 -14.176 4.226 -2.125 1.00 0.00 N ATOM 773 CA SER A 52 -14.664 3.312 -1.101 1.00 0.00 C ATOM 774 C SER A 52 -13.514 2.519 -0.487 1.00 0.00 C ATOM 775 O SER A 52 -13.306 2.543 0.726 1.00 0.00 O ATOM 776 CB SER A 52 -15.700 2.354 -1.693 1.00 0.00 C ATOM 777 OG SER A 52 -15.240 1.797 -2.911 1.00 0.00 O ATOM 0 H SER A 52 -13.720 3.769 -2.915 1.00 0.00 H new ATOM 0 HA SER A 52 -15.134 3.904 -0.316 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.911 1.556 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.636 2.885 -1.863 1.00 0.00 H new ATOM 0 HG SER A 52 -15.919 1.187 -3.269 1.00 0.00 H new ATOM 783 N ALA A 53 -12.769 1.817 -1.335 1.00 0.00 N ATOM 784 CA ALA A 53 -11.639 1.019 -0.878 1.00 0.00 C ATOM 785 C ALA A 53 -10.954 1.671 0.318 1.00 0.00 C ATOM 786 O ALA A 53 -10.496 0.985 1.233 1.00 0.00 O ATOM 787 CB ALA A 53 -10.644 0.815 -2.012 1.00 0.00 C ATOM 0 H ALA A 53 -12.928 1.785 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.017 0.047 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.805 0.217 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.134 0.298 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.280 1.783 -2.355 1.00 0.00 H new ATOM 793 N VAL A 54 -10.886 2.997 0.304 1.00 0.00 N ATOM 794 CA VAL A 54 -10.257 3.742 1.389 1.00 0.00 C ATOM 795 C VAL A 54 -10.856 5.138 1.517 1.00 0.00 C ATOM 796 O VAL A 54 -10.856 5.915 0.561 1.00 0.00 O ATOM 797 CB VAL A 54 -8.737 3.865 1.177 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.055 4.332 2.454 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.156 2.540 0.707 1.00 0.00 C ATOM 0 H VAL A 54 -11.259 3.579 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.445 3.184 2.306 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.555 4.611 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.981 4.413 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.451 5.306 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.243 3.613 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.081 2.645 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.348 1.772 1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.623 2.252 -0.235 1.00 0.00 H new ATOM 809 N VAL A 55 -11.364 5.452 2.703 1.00 0.00 N ATOM 810 CA VAL A 55 -11.966 6.757 2.957 1.00 0.00 C ATOM 811 C VAL A 55 -10.949 7.722 3.557 1.00 0.00 C ATOM 812 O VAL A 55 -9.917 7.307 4.083 1.00 0.00 O ATOM 813 CB VAL A 55 -13.172 6.643 3.908 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.835 8.000 4.093 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.169 5.620 3.383 1.00 0.00 C ATOM 0 H VAL A 55 -11.371 4.821 3.505 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.306 7.142 1.996 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.816 6.303 4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.685 7.901 4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.116 8.702 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.179 8.371 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.015 5.552 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.522 5.928 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.685 4.646 3.307 1.00 0.00 H new ATOM 825 N VAL A 56 -11.250 9.014 3.475 1.00 0.00 N ATOM 826 CA VAL A 56 -10.364 10.041 4.011 1.00 0.00 C ATOM 827 C VAL A 56 -11.142 11.073 4.817 1.00 0.00 C ATOM 828 O VAL A 56 -12.056 11.716 4.302 1.00 0.00 O ATOM 829 CB VAL A 56 -9.592 10.759 2.887 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.490 11.630 3.469 1.00 0.00 C ATOM 831 CG2 VAL A 56 -9.020 9.749 1.904 1.00 0.00 C ATOM 0 H VAL A 56 -12.101 9.375 3.043 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.653 9.535 4.665 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.286 11.404 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.956 12.129 2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.928 12.378 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.795 11.009 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.478 10.274 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.340 9.077 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.832 9.171 1.462 1.00 0.00 H new ATOM 841 N GLN A 57 -10.774 11.226 6.085 1.00 0.00 N ATOM 842 CA GLN A 57 -11.439 12.181 6.964 1.00 0.00 C ATOM 843 C GLN A 57 -10.488 13.303 7.368 1.00 0.00 C ATOM 844 O GLN A 57 -9.279 13.207 7.167 1.00 0.00 O ATOM 845 CB GLN A 57 -11.973 11.474 8.211 1.00 0.00 C ATOM 846 CG GLN A 57 -13.147 10.550 7.930 1.00 0.00 C ATOM 847 CD GLN A 57 -14.020 10.330 9.149 1.00 0.00 C ATOM 848 OE1 GLN A 57 -14.271 11.255 9.923 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.491 9.102 9.327 1.00 0.00 N ATOM 0 H GLN A 57 -10.019 10.701 6.527 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.275 12.618 6.418 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.167 10.897 8.664 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.278 12.224 8.941 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.751 10.970 7.126 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.772 9.589 7.578 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.258 8.365 8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.086 8.895 10.129 1.00 0.00 H new ATOM 858 N GLY A 58 -11.044 14.366 7.942 1.00 0.00 N ATOM 859 CA GLY A 58 -10.231 15.491 8.366 1.00 0.00 C ATOM 860 C GLY A 58 -10.098 16.549 7.288 1.00 0.00 C ATOM 861 O GLY A 58 -9.389 17.540 7.465 1.00 0.00 O ATOM 0 H GLY A 58 -12.043 14.468 8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.671 15.938 9.257 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.240 15.134 8.645 1.00 0.00 H new ATOM 865 N LEU A 59 -10.780 16.338 6.168 1.00 0.00 N ATOM 866 CA LEU A 59 -10.733 17.282 5.055 1.00 0.00 C ATOM 867 C LEU A 59 -11.584 18.513 5.350 1.00 0.00 C ATOM 868 O LEU A 59 -12.556 18.460 6.103 1.00 0.00 O ATOM 869 CB LEU A 59 -11.217 16.609 3.770 1.00 0.00 C ATOM 870 CG LEU A 59 -10.198 15.727 3.048 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.654 15.438 1.626 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.828 16.389 3.046 1.00 0.00 C ATOM 0 H LEU A 59 -11.372 15.523 6.006 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.699 17.601 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.089 16.001 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.549 17.385 3.080 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.122 14.780 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.916 14.809 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.614 14.922 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.759 16.376 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.115 15.748 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.889 17.350 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.497 16.544 4.073 1.00 0.00 H new ATOM 884 N PRO A 60 -11.211 19.649 4.741 1.00 0.00 N ATOM 885 CA PRO A 60 -11.928 20.914 4.921 1.00 0.00 C ATOM 886 C PRO A 60 -13.305 20.899 4.266 1.00 0.00 C ATOM 887 O PRO A 60 -13.760 19.864 3.783 1.00 0.00 O ATOM 888 CB PRO A 60 -11.020 21.938 4.234 1.00 0.00 C ATOM 889 CG PRO A 60 -10.255 21.148 3.228 1.00 0.00 C ATOM 890 CD PRO A 60 -10.062 19.784 3.831 1.00 0.00 C ATOM 0 HA PRO A 60 -12.116 21.129 5.973 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.602 22.728 3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.354 22.420 4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.800 21.084 2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.296 21.618 3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.059 19.004 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.115 19.711 4.366 1.00 0.00 H new ATOM 898 N GLU A 61 -13.963 22.054 4.252 1.00 0.00 N ATOM 899 CA GLU A 61 -15.288 22.172 3.656 1.00 0.00 C ATOM 900 C GLU A 61 -15.189 22.376 2.147 1.00 0.00 C ATOM 901 O GLU A 61 -14.144 22.767 1.630 1.00 0.00 O ATOM 902 CB GLU A 61 -16.056 23.334 4.290 1.00 0.00 C ATOM 903 CG GLU A 61 -17.565 23.168 4.236 1.00 0.00 C ATOM 904 CD GLU A 61 -18.300 24.274 4.968 1.00 0.00 C ATOM 905 OE1 GLU A 61 -18.509 25.348 4.364 1.00 0.00 O ATOM 906 OE2 GLU A 61 -18.666 24.067 6.143 1.00 0.00 O ATOM 0 H GLU A 61 -13.600 22.921 4.647 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.827 21.244 3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.747 23.438 5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.782 24.259 3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.888 23.149 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.837 22.206 4.671 1.00 0.00 H new ATOM 913 N GLY A 62 -16.288 22.108 1.446 1.00 0.00 N ATOM 914 CA GLY A 62 -16.304 22.267 0.005 1.00 0.00 C ATOM 915 C GLY A 62 -15.066 21.693 -0.656 1.00 0.00 C ATOM 916 O GLY A 62 -14.612 22.197 -1.684 1.00 0.00 O ATOM 0 H GLY A 62 -17.166 21.784 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.189 21.778 -0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.385 23.326 -0.240 1.00 0.00 H new ATOM 920 N VAL A 63 -14.516 20.637 -0.064 1.00 0.00 N ATOM 921 CA VAL A 63 -13.323 19.996 -0.602 1.00 0.00 C ATOM 922 C VAL A 63 -13.580 18.524 -0.908 1.00 0.00 C ATOM 923 O VAL A 63 -14.467 17.905 -0.322 1.00 0.00 O ATOM 924 CB VAL A 63 -12.138 20.105 0.376 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.250 19.055 1.470 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.818 19.971 -0.368 1.00 0.00 C ATOM 0 H VAL A 63 -14.878 20.208 0.788 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.073 20.518 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.167 21.089 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.404 19.148 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.178 19.202 2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.248 18.061 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.992 20.051 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.778 19.002 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.737 20.764 -1.111 1.00 0.00 H new ATOM 936 N ALA A 64 -12.798 17.972 -1.830 1.00 0.00 N ATOM 937 CA ALA A 64 -12.940 16.573 -2.213 1.00 0.00 C ATOM 938 C ALA A 64 -11.578 15.905 -2.366 1.00 0.00 C ATOM 939 O ALA A 64 -10.737 16.358 -3.143 1.00 0.00 O ATOM 940 CB ALA A 64 -13.735 16.457 -3.505 1.00 0.00 C ATOM 0 H ALA A 64 -12.060 18.472 -2.325 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.481 16.058 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.833 15.407 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.726 16.889 -3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.217 16.992 -4.300 1.00 0.00 H new ATOM 946 N PHE A 65 -11.365 14.825 -1.621 1.00 0.00 N ATOM 947 CA PHE A 65 -10.104 14.096 -1.674 1.00 0.00 C ATOM 948 C PHE A 65 -9.534 14.095 -3.090 1.00 0.00 C ATOM 949 O PHE A 65 -10.160 13.593 -4.023 1.00 0.00 O ATOM 950 CB PHE A 65 -10.302 12.657 -1.191 1.00 0.00 C ATOM 951 CG PHE A 65 -9.026 11.867 -1.125 1.00 0.00 C ATOM 952 CD1 PHE A 65 -8.163 12.009 -0.050 1.00 0.00 C ATOM 953 CD2 PHE A 65 -8.691 10.980 -2.136 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.988 11.283 0.012 1.00 0.00 C ATOM 955 CE2 PHE A 65 -7.519 10.252 -2.078 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.666 10.403 -1.001 1.00 0.00 C ATOM 0 H PHE A 65 -12.050 14.436 -0.973 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.395 14.599 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.761 12.674 -0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.000 12.151 -1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.411 12.694 0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.354 10.857 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.322 11.405 0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.269 9.565 -2.873 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.750 9.834 -0.952 1.00 0.00 H new ATOM 966 N LYS A 66 -8.343 14.664 -3.241 1.00 0.00 N ATOM 967 CA LYS A 66 -7.687 14.730 -4.542 1.00 0.00 C ATOM 968 C LYS A 66 -6.209 15.076 -4.388 1.00 0.00 C ATOM 969 O LYS A 66 -5.752 15.421 -3.298 1.00 0.00 O ATOM 970 CB LYS A 66 -8.375 15.768 -5.431 1.00 0.00 C ATOM 971 CG LYS A 66 -8.297 17.183 -4.886 1.00 0.00 C ATOM 972 CD LYS A 66 -8.970 18.178 -5.817 1.00 0.00 C ATOM 973 CE LYS A 66 -10.448 18.330 -5.496 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.987 19.638 -5.963 1.00 0.00 N ATOM 0 H LYS A 66 -7.812 15.086 -2.479 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.766 13.750 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.921 15.744 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.422 15.492 -5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.771 17.223 -3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.253 17.463 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.477 19.147 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.853 17.849 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.006 17.519 -5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.597 18.239 -4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.997 19.702 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.472 20.412 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.869 19.714 -6.993 1.00 0.00 H new ATOM 988 N HIS A 67 -5.467 14.983 -5.487 1.00 0.00 N ATOM 989 CA HIS A 67 -4.040 15.288 -5.474 1.00 0.00 C ATOM 990 C HIS A 67 -3.758 16.533 -4.637 1.00 0.00 C ATOM 991 O HIS A 67 -4.511 17.507 -4.657 1.00 0.00 O ATOM 992 CB HIS A 67 -3.528 15.492 -6.901 1.00 0.00 C ATOM 993 CG HIS A 67 -2.101 15.081 -7.089 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.045 15.962 -6.995 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.557 13.873 -7.365 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.087 15.315 -7.208 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.196 14.044 -7.435 1.00 0.00 N ATOM 0 H HIS A 67 -5.830 14.699 -6.397 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.517 14.444 -5.025 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.155 14.923 -7.588 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.633 16.543 -7.169 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.094 12.946 -7.504 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.075 15.750 -7.198 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.485 13.310 -7.630 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.650 16.501 -3.883 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.243 17.618 -3.026 1.00 0.00 C ATOM 1007 C PRO A 68 -1.780 18.828 -3.830 1.00 0.00 C ATOM 1008 O PRO A 68 -1.455 19.872 -3.264 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.081 17.038 -2.216 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.533 15.946 -3.068 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.707 15.372 -3.812 1.00 0.00 C ATOM 0 HA PRO A 68 -3.068 17.983 -2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.325 17.796 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.421 16.656 -1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.217 16.330 -3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.046 15.184 -2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.422 15.023 -4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.139 14.520 -3.286 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.753 18.680 -5.150 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.329 19.762 -6.031 1.00 0.00 C ATOM 1021 C GLU A 69 -2.533 20.541 -6.555 1.00 0.00 C ATOM 1022 O GLU A 69 -2.408 21.692 -6.970 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.517 19.207 -7.203 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.373 18.708 -8.354 1.00 0.00 C ATOM 1025 CD GLU A 69 -0.571 17.944 -9.390 1.00 0.00 C ATOM 1026 OE1 GLU A 69 0.280 18.566 -10.059 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -0.794 16.723 -9.530 1.00 0.00 O ATOM 0 H GLU A 69 -2.019 17.822 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.702 20.441 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.153 19.984 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.109 18.389 -6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.161 18.064 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.862 19.556 -8.832 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.698 19.902 -6.533 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.925 20.533 -7.007 1.00 0.00 C ATOM 1036 C ASN A 70 -5.476 21.501 -5.964 1.00 0.00 C ATOM 1037 O ASN A 70 -6.337 22.328 -6.264 1.00 0.00 O ATOM 1038 CB ASN A 70 -5.975 19.469 -7.337 1.00 0.00 C ATOM 1039 CG ASN A 70 -5.795 18.893 -8.729 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -5.825 19.620 -9.721 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -5.609 17.581 -8.805 1.00 0.00 N ATOM 0 H ASN A 70 -3.819 18.948 -6.192 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.690 21.095 -7.911 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.917 18.665 -6.603 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.970 19.906 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.483 17.136 -9.714 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.592 17.018 -7.954 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.972 21.393 -4.740 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.414 22.258 -3.653 1.00 0.00 C ATOM 1050 C TYR A 71 -4.650 23.578 -3.661 1.00 0.00 C ATOM 1051 O TYR A 71 -3.428 23.602 -3.521 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.228 21.556 -2.307 1.00 0.00 C ATOM 1053 CG TYR A 71 -6.085 20.321 -2.143 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.430 20.335 -2.488 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.549 19.140 -1.645 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.218 19.209 -2.341 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.327 18.009 -1.495 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.661 18.049 -1.843 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.441 16.925 -1.695 1.00 0.00 O ATOM 0 H TYR A 71 -4.257 20.715 -4.476 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.473 22.472 -3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.180 21.278 -2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.460 22.258 -1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.868 21.242 -2.878 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.505 19.106 -1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.263 19.237 -2.614 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.894 17.099 -1.108 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.352 17.116 -2.001 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.380 24.675 -3.826 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.773 26.002 -3.851 1.00 0.00 C ATOM 1071 C ASP A 72 -3.756 26.155 -2.725 1.00 0.00 C ATOM 1072 O ASP A 72 -3.957 25.652 -1.619 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.850 27.081 -3.732 1.00 0.00 C ATOM 1074 CG ASP A 72 -7.115 26.723 -4.487 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -7.059 26.632 -5.731 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -8.162 26.533 -3.833 1.00 0.00 O ATOM 0 H ASP A 72 -6.393 24.673 -3.945 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.255 26.120 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.090 27.236 -2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.458 28.025 -4.112 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.661 26.850 -3.015 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.610 27.068 -2.027 1.00 0.00 C ATOM 1083 C LEU A 73 -2.203 27.263 -0.635 1.00 0.00 C ATOM 1084 O LEU A 73 -1.831 26.570 0.311 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.768 28.287 -2.411 1.00 0.00 C ATOM 1086 CG LEU A 73 0.329 28.683 -1.422 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.016 27.445 -0.865 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.341 29.602 -2.088 1.00 0.00 C ATOM 0 H LEU A 73 -2.478 27.272 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.972 26.184 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.305 28.093 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.436 29.138 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.131 29.222 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.794 27.745 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.284 26.823 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.463 26.879 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.114 29.874 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.797 29.089 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.838 30.504 -2.438 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.129 28.209 -0.519 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.776 28.491 0.756 1.00 0.00 C ATOM 1102 C ALA A 74 -4.410 27.234 1.340 1.00 0.00 C ATOM 1103 O ALA A 74 -4.320 26.982 2.542 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.824 29.582 0.585 1.00 0.00 C ATOM 0 H ALA A 74 -3.448 28.793 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.014 28.839 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.300 29.783 1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.347 30.491 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.577 29.254 -0.132 1.00 0.00 H new ATOM 1110 N THR A 75 -5.053 26.447 0.484 1.00 0.00 N ATOM 1111 CA THR A 75 -5.704 25.216 0.916 1.00 0.00 C ATOM 1112 C THR A 75 -4.683 24.205 1.427 1.00 0.00 C ATOM 1113 O THR A 75 -4.839 23.645 2.512 1.00 0.00 O ATOM 1114 CB THR A 75 -6.513 24.577 -0.228 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.472 25.513 -0.733 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.226 23.321 0.249 1.00 0.00 C ATOM 0 H THR A 75 -5.137 26.640 -0.514 1.00 0.00 H new ATOM 0 HA THR A 75 -6.383 25.484 1.725 1.00 0.00 H new ATOM 0 HB THR A 75 -5.820 24.303 -1.023 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.981 25.099 -1.461 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.791 22.888 -0.576 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.491 22.599 0.605 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.908 23.576 1.061 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.637 23.977 0.639 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.589 23.034 1.014 1.00 0.00 C ATOM 1126 C LEU A 76 -2.125 23.276 2.447 1.00 0.00 C ATOM 1127 O LEU A 76 -2.061 22.348 3.255 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.404 23.152 0.055 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.473 22.291 -1.207 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.388 22.700 -2.192 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.347 20.816 -0.853 1.00 0.00 C ATOM 0 H LEU A 76 -3.493 24.432 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.001 22.027 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.308 24.195 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.495 22.893 0.598 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.442 22.449 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.452 22.077 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.524 23.745 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.591 22.571 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.398 20.218 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.392 20.641 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.160 20.531 -0.185 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.804 24.526 2.756 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.349 24.892 4.092 1.00 0.00 C ATOM 1145 C LYS A 77 -2.311 24.371 5.156 1.00 0.00 C ATOM 1146 O LYS A 77 -1.888 23.854 6.189 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.217 26.412 4.210 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.166 27.004 3.286 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.245 28.521 3.251 1.00 0.00 C ATOM 1150 CE LYS A 77 0.966 29.127 2.560 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.121 30.574 2.878 1.00 0.00 N ATOM 0 H LYS A 77 -1.850 25.305 2.099 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.373 24.435 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.181 26.870 3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.969 26.668 5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.826 26.698 3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.301 26.608 2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.153 28.827 2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.315 28.906 4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.864 28.590 2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.870 29.001 1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.958 30.949 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.275 31.091 2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.239 30.693 3.904 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.606 24.511 4.895 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.628 24.052 5.829 1.00 0.00 C ATOM 1167 C TRP A 78 -4.450 22.573 6.147 1.00 0.00 C ATOM 1168 O TRP A 78 -4.322 22.190 7.311 1.00 0.00 O ATOM 1169 CB TRP A 78 -6.022 24.299 5.253 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.128 23.974 6.212 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.795 24.850 7.020 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.692 22.683 6.464 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.740 24.181 7.760 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.697 22.850 7.437 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.448 21.402 5.963 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.454 21.784 7.915 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.199 20.345 6.440 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.193 20.541 7.408 1.00 0.00 C ATOM 0 H TRP A 78 -3.973 24.938 4.045 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.520 24.618 6.754 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.104 25.344 4.956 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.146 23.700 4.351 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.607 25.912 7.070 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.371 24.606 8.439 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.685 21.241 5.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.221 21.933 8.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.017 19.351 6.060 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.764 19.695 7.760 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.442 21.745 5.109 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.278 20.306 5.279 1.00 0.00 C ATOM 1191 C ILE A 79 -3.139 19.994 6.244 1.00 0.00 C ATOM 1192 O ILE A 79 -3.313 19.242 7.204 1.00 0.00 O ATOM 1193 CB ILE A 79 -4.003 19.607 3.934 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.219 19.733 3.012 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.652 18.144 4.160 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.957 19.257 1.600 1.00 0.00 C ATOM 0 H ILE A 79 -4.547 22.046 4.140 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.214 19.928 5.690 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.154 20.094 3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.045 19.160 3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.536 20.775 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.460 17.663 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.761 18.076 4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.483 17.643 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.861 19.375 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.152 19.846 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.669 18.206 1.618 1.00 0.00 H new ATOM 1208 N LEU A 80 -1.974 20.575 5.982 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.805 20.360 6.828 1.00 0.00 C ATOM 1210 C LEU A 80 -1.075 20.822 8.257 1.00 0.00 C ATOM 1211 O LEU A 80 -0.560 20.243 9.213 1.00 0.00 O ATOM 1212 CB LEU A 80 0.405 21.104 6.260 1.00 0.00 C ATOM 1213 CG LEU A 80 1.144 20.408 5.116 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.183 21.337 4.508 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.795 19.123 5.606 1.00 0.00 C ATOM 0 H LEU A 80 -1.813 21.198 5.191 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.591 19.291 6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.074 22.082 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.113 21.278 7.071 1.00 0.00 H new ATOM 0 HG LEU A 80 0.419 20.152 4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.699 20.824 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.691 22.229 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.905 21.625 5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.316 18.641 4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.507 19.355 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.029 18.451 5.993 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.886 21.866 8.393 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.224 22.404 9.706 1.00 0.00 C ATOM 1229 C GLU A 81 -3.079 21.415 10.494 1.00 0.00 C ATOM 1230 O GLU A 81 -2.744 21.050 11.620 1.00 0.00 O ATOM 1231 CB GLU A 81 -2.966 23.734 9.560 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.058 24.949 9.639 1.00 0.00 C ATOM 1233 CD GLU A 81 -2.831 26.252 9.708 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -3.708 26.377 10.587 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -2.558 27.148 8.880 1.00 0.00 O ATOM 0 H GLU A 81 -2.321 22.356 7.611 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.296 22.572 10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.491 23.745 8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.723 23.805 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.419 24.863 10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.403 24.965 8.768 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.185 20.989 9.894 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.089 20.044 10.540 1.00 0.00 C ATOM 1244 C ASN A 82 -4.856 18.627 10.024 1.00 0.00 C ATOM 1245 O ASN A 82 -5.797 17.853 9.854 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.544 20.452 10.300 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.868 21.810 10.893 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.759 21.936 11.733 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.145 22.834 10.456 1.00 0.00 N ATOM 0 H ASN A 82 -4.477 21.283 8.962 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.885 20.060 11.611 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.742 20.470 9.228 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.205 19.702 10.734 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.318 23.772 10.818 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.416 22.683 9.759 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.593 18.294 9.777 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.233 16.971 9.282 1.00 0.00 C ATOM 1258 C LYS A 83 -3.259 15.944 10.410 1.00 0.00 C ATOM 1259 O LYS A 83 -3.791 14.845 10.249 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.844 17.004 8.640 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.718 17.215 9.637 1.00 0.00 C ATOM 1262 CD LYS A 83 0.641 17.187 8.957 1.00 0.00 C ATOM 1263 CE LYS A 83 1.749 17.609 9.909 1.00 0.00 C ATOM 1264 NZ LYS A 83 2.352 16.443 10.612 1.00 0.00 N ATOM 0 H LYS A 83 -2.802 18.923 9.912 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.966 16.679 8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.676 16.067 8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.815 17.802 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.853 18.171 10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.759 16.440 10.403 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.842 16.182 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.630 17.851 8.092 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.523 18.138 9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.350 18.309 10.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.103 16.773 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.619 15.953 11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.756 15.787 9.913 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.682 16.308 11.550 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.641 15.419 12.704 1.00 0.00 C ATOM 1280 C ALA A 84 -3.981 14.717 12.903 1.00 0.00 C ATOM 1281 O ALA A 84 -4.034 13.588 13.388 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.259 16.196 13.956 1.00 0.00 C ATOM 0 H ALA A 84 -2.236 17.213 11.699 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.884 14.657 12.518 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.232 15.519 14.810 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.276 16.646 13.819 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.995 16.979 14.137 1.00 0.00 H new ATOM 1288 N GLY A 85 -5.061 15.395 12.526 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.386 14.820 12.673 1.00 0.00 C ATOM 1290 C GLY A 85 -6.756 13.917 11.514 1.00 0.00 C ATOM 1291 O GLY A 85 -7.282 12.821 11.716 1.00 0.00 O ATOM 0 H GLY A 85 -5.042 16.331 12.122 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.431 14.251 13.602 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.120 15.622 12.754 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.484 14.375 10.297 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.794 13.600 9.102 1.00 0.00 C ATOM 1297 C ILE A 86 -6.552 12.112 9.335 1.00 0.00 C ATOM 1298 O ILE A 86 -5.434 11.693 9.632 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.952 14.062 7.897 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.552 15.331 7.287 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.865 12.957 6.857 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.701 15.936 6.194 1.00 0.00 C ATOM 0 H ILE A 86 -6.049 15.279 10.112 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.849 13.765 8.883 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.943 14.288 8.241 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.537 15.099 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.696 16.070 8.075 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.267 13.299 6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.398 12.077 7.299 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.867 12.702 6.513 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.187 16.832 5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.723 16.199 6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.578 15.214 5.387 1.00 0.00 H new ATOM 1314 N SER A 87 -7.609 11.317 9.195 1.00 0.00 N ATOM 1315 CA SER A 87 -7.513 9.876 9.391 1.00 0.00 C ATOM 1316 C SER A 87 -7.826 9.129 8.099 1.00 0.00 C ATOM 1317 O SER A 87 -8.354 9.706 7.147 1.00 0.00 O ATOM 1318 CB SER A 87 -8.468 9.425 10.499 1.00 0.00 C ATOM 1319 OG SER A 87 -9.728 9.057 9.965 1.00 0.00 O ATOM 0 H SER A 87 -8.541 11.647 8.947 1.00 0.00 H new ATOM 0 HA SER A 87 -6.490 9.643 9.686 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.036 8.580 11.035 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.597 10.230 11.223 1.00 0.00 H new ATOM 0 HG SER A 87 -10.320 8.771 10.692 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.497 7.842 8.071 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.742 7.015 6.897 1.00 0.00 C ATOM 1327 C PHE A 88 -8.371 5.681 7.291 1.00 0.00 C ATOM 1328 O PHE A 88 -7.816 4.938 8.101 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.437 6.772 6.136 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.157 7.803 5.081 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -6.042 9.142 5.416 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.006 7.433 3.754 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.784 10.094 4.448 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -5.747 8.380 2.781 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.637 9.712 3.129 1.00 0.00 C ATOM 0 H PHE A 88 -7.059 7.349 8.850 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.439 7.547 6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.610 6.756 6.846 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.476 5.788 5.669 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.155 9.446 6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.092 6.393 3.477 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.697 11.135 4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.631 8.079 1.750 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.436 10.454 2.370 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.530 5.386 6.712 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.233 4.142 7.002 1.00 0.00 C ATOM 1347 C ILE A 89 -10.194 3.196 5.807 1.00 0.00 C ATOM 1348 O ILE A 89 -10.815 3.458 4.775 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.701 4.403 7.389 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.782 5.478 8.475 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.361 3.116 7.860 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -11.916 6.882 7.926 1.00 0.00 C ATOM 0 H ILE A 89 -10.002 5.991 6.040 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.720 3.679 7.845 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.235 4.762 6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.634 5.266 9.122 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.888 5.423 9.097 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.398 3.316 8.130 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.331 2.377 7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.828 2.731 8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -11.968 7.592 8.751 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.052 7.113 7.303 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.825 6.954 7.328 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.462 2.097 5.952 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.345 1.112 4.886 1.00 0.00 C ATOM 1366 C ILE A 90 -10.542 0.166 4.876 1.00 0.00 C ATOM 1367 O ILE A 90 -10.731 -0.622 5.803 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.053 0.285 5.022 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.058 0.668 3.924 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.367 -1.203 4.964 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.116 1.781 4.325 1.00 0.00 C ATOM 0 H ILE A 90 -8.941 1.867 6.798 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.315 1.666 3.948 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.600 0.503 5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.474 -0.211 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.610 0.973 3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.444 -1.774 5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.043 -1.464 5.778 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.840 -1.438 4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.439 2.000 3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.691 2.674 4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.538 1.472 5.196 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.347 0.248 3.823 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.524 -0.601 3.690 1.00 0.00 C ATOM 1385 C LYS A 91 -12.194 -1.869 2.909 1.00 0.00 C ATOM 1386 O LYS A 91 -12.805 -2.917 3.121 1.00 0.00 O ATOM 1387 CB LYS A 91 -13.653 0.162 2.993 1.00 0.00 C ATOM 1388 CG LYS A 91 -13.857 1.569 3.527 1.00 0.00 C ATOM 1389 CD LYS A 91 -14.897 1.600 4.635 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.287 3.026 4.993 1.00 0.00 C ATOM 1391 NZ LYS A 91 -16.640 3.092 5.609 1.00 0.00 N ATOM 0 H LYS A 91 -11.205 0.895 3.048 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.851 -0.886 4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.439 0.215 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.581 -0.398 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.911 1.957 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.170 2.226 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.782 1.048 4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.504 1.096 5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.553 3.441 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.266 3.645 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.869 4.080 5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.344 2.720 4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.653 2.522 6.479 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.226 -1.767 2.005 1.00 0.00 N ATOM 1406 CA ARG A 92 -10.816 -2.906 1.193 1.00 0.00 C ATOM 1407 C ARG A 92 -9.670 -2.524 0.259 1.00 0.00 C ATOM 1408 O ARG A 92 -9.646 -1.438 -0.322 1.00 0.00 O ATOM 1409 CB ARG A 92 -11.999 -3.430 0.378 1.00 0.00 C ATOM 1410 CG ARG A 92 -11.609 -3.946 -0.998 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.697 -2.851 -2.049 1.00 0.00 C ATOM 1412 NE ARG A 92 -12.924 -2.947 -2.837 1.00 0.00 N ATOM 1413 CZ ARG A 92 -14.028 -2.261 -2.563 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -14.059 -1.435 -1.526 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -15.104 -2.400 -3.327 1.00 0.00 N ATOM 0 H ARG A 92 -10.711 -0.907 1.816 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.469 -3.692 1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.485 -4.232 0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.732 -2.632 0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.593 -4.340 -0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.263 -4.773 -1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.654 -1.877 -1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.834 -2.914 -2.712 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.933 -3.575 -3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.234 -1.325 -0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.908 -0.909 -1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.084 -3.034 -4.126 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.951 -1.873 -3.116 1.00 0.00 H new ATOM 1429 N PRO A 93 -8.697 -3.435 0.111 1.00 0.00 N ATOM 1430 CA PRO A 93 -7.532 -3.216 -0.750 1.00 0.00 C ATOM 1431 C PRO A 93 -7.897 -3.221 -2.232 1.00 0.00 C ATOM 1432 O PRO A 93 -8.826 -3.912 -2.649 1.00 0.00 O ATOM 1433 CB PRO A 93 -6.620 -4.400 -0.420 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.541 -5.464 0.069 1.00 0.00 C ATOM 1435 CD PRO A 93 -8.661 -4.750 0.773 1.00 0.00 C ATOM 0 HA PRO A 93 -7.072 -2.244 -0.574 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.066 -4.730 -1.299 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.885 -4.134 0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.920 -6.063 -0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.026 -6.145 0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.607 -5.281 0.664 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.469 -4.657 1.842 1.00 0.00 H new ATOM 1443 N PHE A 94 -7.159 -2.446 -3.019 1.00 0.00 N ATOM 1444 CA PHE A 94 -7.405 -2.361 -4.454 1.00 0.00 C ATOM 1445 C PHE A 94 -7.008 -3.658 -5.152 1.00 0.00 C ATOM 1446 O PHE A 94 -5.843 -4.057 -5.127 1.00 0.00 O ATOM 1447 CB PHE A 94 -6.633 -1.185 -5.058 1.00 0.00 C ATOM 1448 CG PHE A 94 -7.139 0.156 -4.613 1.00 0.00 C ATOM 1449 CD1 PHE A 94 -6.806 0.659 -3.365 1.00 0.00 C ATOM 1450 CD2 PHE A 94 -7.949 0.915 -5.442 1.00 0.00 C ATOM 1451 CE1 PHE A 94 -7.270 1.894 -2.953 1.00 0.00 C ATOM 1452 CE2 PHE A 94 -8.416 2.151 -5.036 1.00 0.00 C ATOM 1453 CZ PHE A 94 -8.077 2.641 -3.790 1.00 0.00 C ATOM 0 H PHE A 94 -6.386 -1.868 -2.688 1.00 0.00 H new ATOM 0 HA PHE A 94 -8.473 -2.200 -4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.581 -1.275 -4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.690 -1.243 -6.145 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.176 0.079 -2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.219 0.537 -6.417 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.002 2.275 -1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.046 2.733 -5.693 1.00 0.00 H new ATOM 0 HZ PHE A 94 -8.442 3.606 -3.470 1.00 0.00 H new ATOM 1463 N LEU A 95 -7.983 -4.311 -5.774 1.00 0.00 N ATOM 1464 CA LEU A 95 -7.737 -5.564 -6.479 1.00 0.00 C ATOM 1465 C LEU A 95 -7.984 -5.405 -7.976 1.00 0.00 C ATOM 1466 O LEU A 95 -9.043 -4.935 -8.392 1.00 0.00 O ATOM 1467 CB LEU A 95 -8.629 -6.672 -5.918 1.00 0.00 C ATOM 1468 CG LEU A 95 -8.157 -7.320 -4.616 1.00 0.00 C ATOM 1469 CD1 LEU A 95 -9.252 -8.193 -4.026 1.00 0.00 C ATOM 1470 CD2 LEU A 95 -6.893 -8.134 -4.852 1.00 0.00 C ATOM 0 H LEU A 95 -8.952 -3.994 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.692 -5.837 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.625 -6.261 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.725 -7.451 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.928 -6.529 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.897 -8.645 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.131 -7.583 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.514 -8.977 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.572 -8.588 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.095 -8.917 -5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.105 -7.482 -5.228 1.00 0.00 H new ATOM 1482 N GLU A 96 -7.002 -5.802 -8.779 1.00 0.00 N ATOM 1483 CA GLU A 96 -7.115 -5.703 -10.230 1.00 0.00 C ATOM 1484 C GLU A 96 -5.946 -6.404 -10.916 1.00 0.00 C ATOM 1485 O GLU A 96 -4.808 -6.369 -10.448 1.00 0.00 O ATOM 1486 CB GLU A 96 -7.169 -4.236 -10.661 1.00 0.00 C ATOM 1487 CG GLU A 96 -6.001 -3.409 -10.153 1.00 0.00 C ATOM 1488 CD GLU A 96 -6.050 -3.189 -8.653 1.00 0.00 C ATOM 1489 OE1 GLU A 96 -6.857 -2.349 -8.203 1.00 0.00 O ATOM 1490 OE2 GLU A 96 -5.282 -3.856 -7.929 1.00 0.00 O ATOM 0 H GLU A 96 -6.120 -6.195 -8.450 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.039 -6.196 -10.531 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.192 -4.187 -11.750 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.099 -3.795 -10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.067 -3.908 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.998 -2.443 -10.658 1.00 0.00 H new ATOM 1497 N PRO A 97 -6.233 -7.058 -12.051 1.00 0.00 N ATOM 1498 CA PRO A 97 -5.219 -7.779 -12.826 1.00 0.00 C ATOM 1499 C PRO A 97 -4.227 -6.838 -13.502 1.00 0.00 C ATOM 1500 O PRO A 97 -4.253 -5.628 -13.280 1.00 0.00 O ATOM 1501 CB PRO A 97 -6.042 -8.531 -13.874 1.00 0.00 C ATOM 1502 CG PRO A 97 -7.289 -7.729 -14.023 1.00 0.00 C ATOM 1503 CD PRO A 97 -7.567 -7.142 -12.667 1.00 0.00 C ATOM 0 HA PRO A 97 -4.610 -8.428 -12.196 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.505 -8.607 -14.819 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.262 -9.548 -13.550 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.162 -6.945 -14.769 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.118 -8.354 -14.355 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.037 -6.161 -12.742 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.239 -7.774 -12.086 1.00 0.00 H new ATOM 1511 N LYS A 98 -3.354 -7.402 -14.329 1.00 0.00 N ATOM 1512 CA LYS A 98 -2.354 -6.614 -15.040 1.00 0.00 C ATOM 1513 C LYS A 98 -1.690 -7.439 -16.138 1.00 0.00 C ATOM 1514 O LYS A 98 -1.763 -8.669 -16.135 1.00 0.00 O ATOM 1515 CB LYS A 98 -1.294 -6.097 -14.065 1.00 0.00 C ATOM 1516 CG LYS A 98 -0.119 -7.043 -13.886 1.00 0.00 C ATOM 1517 CD LYS A 98 0.974 -6.419 -13.034 1.00 0.00 C ATOM 1518 CE LYS A 98 2.279 -7.192 -13.148 1.00 0.00 C ATOM 1519 NZ LYS A 98 3.135 -7.017 -11.943 1.00 0.00 N ATOM 0 H LYS A 98 -3.318 -8.403 -14.524 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.859 -5.766 -15.502 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.924 -5.135 -14.420 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.759 -5.921 -13.095 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.462 -7.967 -13.420 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.287 -7.310 -14.862 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.133 -5.386 -13.344 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.655 -6.394 -11.992 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.063 -8.251 -13.289 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.823 -6.858 -14.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.015 -7.559 -12.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.363 -6.009 -11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.626 -7.360 -11.103 1.00 0.00 H new ATOM 1533 N LYS A 99 -1.042 -6.756 -17.076 1.00 0.00 N ATOM 1534 CA LYS A 99 -0.362 -7.425 -18.178 1.00 0.00 C ATOM 1535 C LYS A 99 0.289 -8.723 -17.709 1.00 0.00 C ATOM 1536 O LYS A 99 -0.070 -9.809 -18.166 1.00 0.00 O ATOM 1537 CB LYS A 99 0.695 -6.503 -18.788 1.00 0.00 C ATOM 1538 CG LYS A 99 0.124 -5.469 -19.743 1.00 0.00 C ATOM 1539 CD LYS A 99 1.220 -4.772 -20.532 1.00 0.00 C ATOM 1540 CE LYS A 99 1.692 -5.622 -21.701 1.00 0.00 C ATOM 1541 NZ LYS A 99 2.891 -5.039 -22.363 1.00 0.00 N ATOM 0 H LYS A 99 -0.974 -5.738 -17.095 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.106 -7.666 -18.937 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.224 -5.990 -17.985 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.430 -7.108 -19.319 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -0.570 -5.952 -20.431 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.447 -4.730 -19.181 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.851 -3.815 -20.902 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.062 -4.556 -19.874 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.925 -6.627 -21.349 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.886 -5.718 -22.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.181 -5.648 -23.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.662 -4.090 -22.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.668 -4.971 -21.676 1.00 0.00 H new ATOM 1555 N HIS A 100 1.246 -8.602 -16.794 1.00 0.00 N ATOM 1556 CA HIS A 100 1.944 -9.767 -16.262 1.00 0.00 C ATOM 1557 C HIS A 100 2.296 -10.746 -17.377 1.00 0.00 C ATOM 1558 O HIS A 100 1.944 -11.925 -17.317 1.00 0.00 O ATOM 1559 CB HIS A 100 1.087 -10.464 -15.206 1.00 0.00 C ATOM 1560 CG HIS A 100 1.860 -11.401 -14.330 1.00 0.00 C ATOM 1561 ND1 HIS A 100 2.328 -11.051 -13.082 1.00 0.00 N ATOM 1562 CD2 HIS A 100 2.243 -12.685 -14.528 1.00 0.00 C ATOM 1563 CE1 HIS A 100 2.969 -12.077 -12.550 1.00 0.00 C ATOM 1564 NE2 HIS A 100 2.931 -13.081 -13.408 1.00 0.00 N ATOM 0 H HIS A 100 1.555 -7.711 -16.406 1.00 0.00 H new ATOM 0 HA HIS A 100 2.869 -9.424 -15.799 1.00 0.00 H new ATOM 0 HB2 HIS A 100 0.608 -9.709 -14.583 1.00 0.00 H new ATOM 0 HB3 HIS A 100 0.291 -11.018 -15.704 1.00 0.00 H new ATOM 0 HD2 HIS A 100 2.044 -13.285 -15.404 1.00 0.00 H new ATOM 0 HE1 HIS A 100 3.443 -12.092 -11.580 1.00 0.00 H new ATOM 0 HE2 HIS A 100 3.346 -14.001 -13.262 1.00 0.00 H new ATOM 1572 N VAL A 101 2.992 -10.251 -18.395 1.00 0.00 N ATOM 1573 CA VAL A 101 3.392 -11.083 -19.525 1.00 0.00 C ATOM 1574 C VAL A 101 4.807 -11.620 -19.339 1.00 0.00 C ATOM 1575 O VAL A 101 5.646 -11.511 -20.232 1.00 0.00 O ATOM 1576 CB VAL A 101 3.321 -10.301 -20.850 1.00 0.00 C ATOM 1577 CG1 VAL A 101 1.885 -9.908 -21.163 1.00 0.00 C ATOM 1578 CG2 VAL A 101 4.219 -9.074 -20.793 1.00 0.00 C ATOM 0 H VAL A 101 3.291 -9.278 -18.461 1.00 0.00 H new ATOM 0 HA VAL A 101 2.693 -11.918 -19.567 1.00 0.00 H new ATOM 0 HB VAL A 101 3.678 -10.947 -21.652 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.855 -9.356 -22.103 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.273 -10.806 -21.250 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.497 -9.280 -20.361 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.157 -8.533 -21.737 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.895 -8.424 -19.980 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.249 -9.385 -20.620 1.00 0.00 H new ATOM 1588 N GLY A 102 5.064 -12.201 -18.171 1.00 0.00 N ATOM 1589 CA GLY A 102 6.379 -12.746 -17.888 1.00 0.00 C ATOM 1590 C GLY A 102 7.487 -11.737 -18.113 1.00 0.00 C ATOM 1591 O GLY A 102 7.674 -10.822 -17.312 1.00 0.00 O ATOM 0 H GLY A 102 4.386 -12.304 -17.416 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.411 -13.091 -16.855 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.551 -13.617 -18.520 1.00 0.00 H new ATOM 1595 N GLY A 103 8.226 -11.903 -19.206 1.00 0.00 N ATOM 1596 CA GLY A 103 9.312 -10.992 -19.513 1.00 0.00 C ATOM 1597 C GLY A 103 9.766 -11.096 -20.955 1.00 0.00 C ATOM 1598 O GLY A 103 9.824 -12.190 -21.518 1.00 0.00 O ATOM 0 H GLY A 103 8.091 -12.653 -19.884 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.993 -9.970 -19.309 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.155 -11.201 -18.854 1.00 0.00 H new ATOM 1602 N SER A 104 10.087 -9.955 -21.556 1.00 0.00 N ATOM 1603 CA SER A 104 10.533 -9.922 -22.945 1.00 0.00 C ATOM 1604 C SER A 104 11.690 -8.944 -23.121 1.00 0.00 C ATOM 1605 O SER A 104 11.541 -7.743 -22.902 1.00 0.00 O ATOM 1606 CB SER A 104 9.375 -9.530 -23.865 1.00 0.00 C ATOM 1607 OG SER A 104 8.263 -10.389 -23.681 1.00 0.00 O ATOM 0 H SER A 104 10.047 -9.042 -21.104 1.00 0.00 H new ATOM 0 HA SER A 104 10.880 -10.920 -23.213 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.080 -8.500 -23.664 1.00 0.00 H new ATOM 0 HB3 SER A 104 9.702 -9.571 -24.904 1.00 0.00 H new ATOM 0 HG SER A 104 7.536 -10.116 -24.279 1.00 0.00 H new ATOM 1613 N GLY A 105 12.845 -9.469 -23.518 1.00 0.00 N ATOM 1614 CA GLY A 105 14.012 -8.630 -23.716 1.00 0.00 C ATOM 1615 C GLY A 105 13.805 -7.596 -24.805 1.00 0.00 C ATOM 1616 O GLY A 105 13.541 -7.926 -25.962 1.00 0.00 O ATOM 0 H GLY A 105 12.993 -10.461 -23.706 1.00 0.00 H new ATOM 0 HA2 GLY A 105 14.255 -8.125 -22.781 1.00 0.00 H new ATOM 0 HA3 GLY A 105 14.867 -9.256 -23.972 1.00 0.00 H new ATOM 1620 N PRO A 106 13.923 -6.312 -24.437 1.00 0.00 N ATOM 1621 CA PRO A 106 13.749 -5.200 -25.377 1.00 0.00 C ATOM 1622 C PRO A 106 14.884 -5.116 -26.391 1.00 0.00 C ATOM 1623 O PRO A 106 16.013 -4.766 -26.046 1.00 0.00 O ATOM 1624 CB PRO A 106 13.749 -3.967 -24.471 1.00 0.00 C ATOM 1625 CG PRO A 106 14.520 -4.381 -23.265 1.00 0.00 C ATOM 1626 CD PRO A 106 14.236 -5.845 -23.076 1.00 0.00 C ATOM 0 HA PRO A 106 12.843 -5.308 -25.973 1.00 0.00 H new ATOM 0 HB2 PRO A 106 14.214 -3.114 -24.964 1.00 0.00 H new ATOM 0 HB3 PRO A 106 12.734 -3.669 -24.209 1.00 0.00 H new ATOM 0 HG2 PRO A 106 15.587 -4.205 -23.404 1.00 0.00 H new ATOM 0 HG3 PRO A 106 14.214 -3.808 -22.390 1.00 0.00 H new ATOM 0 HD2 PRO A 106 15.095 -6.370 -22.659 1.00 0.00 H new ATOM 0 HD3 PRO A 106 13.401 -6.007 -22.394 1.00 0.00 H new ATOM 1634 N SER A 107 14.577 -5.438 -27.644 1.00 0.00 N ATOM 1635 CA SER A 107 15.573 -5.401 -28.709 1.00 0.00 C ATOM 1636 C SER A 107 15.540 -4.062 -29.438 1.00 0.00 C ATOM 1637 O SER A 107 14.509 -3.663 -29.980 1.00 0.00 O ATOM 1638 CB SER A 107 15.332 -6.541 -29.700 1.00 0.00 C ATOM 1639 OG SER A 107 14.090 -6.386 -30.364 1.00 0.00 O ATOM 0 H SER A 107 13.647 -5.727 -27.946 1.00 0.00 H new ATOM 0 HA SER A 107 16.557 -5.524 -28.257 1.00 0.00 H new ATOM 0 HB2 SER A 107 16.139 -6.567 -30.433 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.349 -7.495 -29.173 1.00 0.00 H new ATOM 0 HG SER A 107 13.892 -5.432 -30.469 1.00 0.00 H new ATOM 1645 N SER A 108 16.676 -3.372 -29.447 1.00 0.00 N ATOM 1646 CA SER A 108 16.778 -2.075 -30.107 1.00 0.00 C ATOM 1647 C SER A 108 17.536 -2.194 -31.425 1.00 0.00 C ATOM 1648 O SER A 108 18.673 -2.660 -31.460 1.00 0.00 O ATOM 1649 CB SER A 108 17.477 -1.068 -29.192 1.00 0.00 C ATOM 1650 OG SER A 108 16.720 -0.836 -28.016 1.00 0.00 O ATOM 0 H SER A 108 17.539 -3.689 -29.005 1.00 0.00 H new ATOM 0 HA SER A 108 15.769 -1.723 -30.320 1.00 0.00 H new ATOM 0 HB2 SER A 108 18.466 -1.441 -28.924 1.00 0.00 H new ATOM 0 HB3 SER A 108 17.624 -0.129 -29.725 1.00 0.00 H new ATOM 0 HG SER A 108 17.189 -0.190 -27.447 1.00 0.00 H new ATOM 1656 N GLY A 109 16.896 -1.767 -32.509 1.00 0.00 N ATOM 1657 CA GLY A 109 17.523 -1.833 -33.816 1.00 0.00 C ATOM 1658 C GLY A 109 17.165 -0.649 -34.692 1.00 0.00 C ATOM 1659 O GLY A 109 17.532 0.487 -34.393 1.00 0.00 O ATOM 0 H GLY A 109 15.954 -1.376 -32.505 1.00 0.00 H new ATOM 0 HA2 GLY A 109 18.605 -1.877 -33.694 1.00 0.00 H new ATOM 0 HA3 GLY A 109 17.221 -2.754 -34.314 1.00 0.00 H new TER 1663 GLY A 109