USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 981 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 49:sc= 0.886 USER MOD Set 1.2: A 57 THR OG1 : rot 84:sc= 1.72 USER MOD Set 2.1: A 50 LYS NZ :NH3+ 170:sc= 0.871 (180deg=0) USER MOD Set 2.2: A 52 SER OG : rot 120:sc= 0.777 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 157:sc= 1.19 (180deg=0) USER MOD Set 3.2: A 62 THR OG1 : rot 170:sc= 1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0.88 (180deg=0.879) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 97:sc= 1.19 USER MOD Single : A 12 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.3!) USER MOD Single : A 16 THR OG1 : rot -81:sc= 1.27 USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.17) USER MOD Single : A 30 MET CE :methyl -152:sc= -0.747 (180deg=-1.77!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A 45 MET CE :methyl -169:sc= -0.29 (180deg=-0.455) USER MOD Single : A 49 LYS NZ :NH3+ 145:sc= 1.25 (180deg=1.1) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0.954! (180deg=0.922!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -173:sc= 0 (180deg=-0.051) USER MOD Single : A 74 CYS SG : rot 79:sc= 0.299 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 173:sc= -0.0143 (180deg=-0.0451) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 154:sc= 1.24 (180deg=0.995) USER MOD Single : A 98 SER OG : rot 97:sc= 1.89 USER MOD Single : A 109 THR OG1 : rot 120:sc= 0.66 USER MOD Single : A 110 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.31) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -87:sc= 0.53 USER MOD Single : A 125 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.661 -0.408 -1.720 1.00 0.00 N ATOM 2 CA MET A 1 6.667 -0.323 -0.638 1.00 0.00 C ATOM 3 C MET A 1 7.687 0.770 -0.969 1.00 0.00 C ATOM 4 O MET A 1 8.627 0.535 -1.733 1.00 0.00 O ATOM 5 CB MET A 1 7.324 -1.690 -0.354 1.00 0.00 C ATOM 6 CG MET A 1 8.317 -1.636 0.816 1.00 0.00 C ATOM 7 SD MET A 1 7.637 -0.998 2.375 1.00 0.00 S ATOM 8 CE MET A 1 9.120 -1.100 3.414 1.00 0.00 C ATOM 0 H1 MET A 1 4.989 -1.173 -1.510 1.00 0.00 H new ATOM 0 H2 MET A 1 5.148 0.494 -1.789 1.00 0.00 H new ATOM 0 H3 MET A 1 6.138 -0.605 -2.623 1.00 0.00 H new ATOM 0 HA MET A 1 6.166 -0.044 0.289 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.548 -2.423 -0.134 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.842 -2.033 -1.250 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.704 -2.640 0.990 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.164 -1.014 0.525 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.886 -0.745 4.418 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.458 -2.135 3.465 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.908 -0.482 2.985 1.00 0.00 H new ATOM 20 N ALA A 2 7.508 1.972 -0.410 1.00 0.00 N ATOM 21 CA ALA A 2 8.420 3.105 -0.550 1.00 0.00 C ATOM 22 C ALA A 2 8.215 4.066 0.623 1.00 0.00 C ATOM 23 O ALA A 2 7.131 4.117 1.208 1.00 0.00 O ATOM 24 CB ALA A 2 8.139 3.838 -1.868 1.00 0.00 C ATOM 0 H ALA A 2 6.697 2.186 0.170 1.00 0.00 H new ATOM 0 HA ALA A 2 9.448 2.744 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.822 4.682 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.284 3.153 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.111 4.201 -1.871 1.00 0.00 H new ATOM 30 N SER A 3 9.225 4.885 0.919 1.00 0.00 N ATOM 31 CA SER A 3 9.305 5.738 2.109 1.00 0.00 C ATOM 32 C SER A 3 8.414 6.989 2.059 1.00 0.00 C ATOM 33 O SER A 3 8.601 7.932 2.830 1.00 0.00 O ATOM 34 CB SER A 3 10.780 6.104 2.347 1.00 0.00 C ATOM 35 OG SER A 3 11.629 4.970 2.202 1.00 0.00 O ATOM 0 H SER A 3 10.041 4.977 0.315 1.00 0.00 H new ATOM 0 HA SER A 3 8.910 5.165 2.948 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.082 6.879 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.896 6.521 3.347 1.00 0.00 H new ATOM 0 HG SER A 3 12.559 5.236 2.358 1.00 0.00 H new ATOM 41 N VAL A 4 7.439 6.995 1.157 1.00 0.00 N ATOM 42 CA VAL A 4 6.511 8.073 0.886 1.00 0.00 C ATOM 43 C VAL A 4 5.056 7.595 1.047 1.00 0.00 C ATOM 44 O VAL A 4 4.121 8.385 0.925 1.00 0.00 O ATOM 45 CB VAL A 4 6.813 8.583 -0.532 1.00 0.00 C ATOM 46 CG1 VAL A 4 8.180 9.274 -0.634 1.00 0.00 C ATOM 47 CG2 VAL A 4 6.756 7.484 -1.602 1.00 0.00 C ATOM 0 H VAL A 4 7.269 6.188 0.557 1.00 0.00 H new ATOM 0 HA VAL A 4 6.632 8.889 1.598 1.00 0.00 H new ATOM 0 HB VAL A 4 6.019 9.305 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.340 9.614 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.207 10.129 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.965 8.570 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.979 7.915 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.489 6.712 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.759 7.044 -1.619 1.00 0.00 H new ATOM 57 N GLU A 5 4.851 6.302 1.326 1.00 0.00 N ATOM 58 CA GLU A 5 3.550 5.682 1.553 1.00 0.00 C ATOM 59 C GLU A 5 3.127 6.003 2.994 1.00 0.00 C ATOM 60 O GLU A 5 3.227 5.164 3.893 1.00 0.00 O ATOM 61 CB GLU A 5 3.656 4.173 1.265 1.00 0.00 C ATOM 62 CG GLU A 5 3.912 3.904 -0.230 1.00 0.00 C ATOM 63 CD GLU A 5 4.269 2.449 -0.563 1.00 0.00 C ATOM 64 OE1 GLU A 5 4.703 1.684 0.324 1.00 0.00 O ATOM 65 OE2 GLU A 5 4.196 2.072 -1.758 1.00 0.00 O ATOM 0 H GLU A 5 5.621 5.637 1.402 1.00 0.00 H new ATOM 0 HA GLU A 5 2.781 6.070 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.464 3.744 1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.736 3.676 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.023 4.185 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.722 4.550 -0.569 1.00 0.00 H new ATOM 72 N ARG A 6 2.746 7.264 3.238 1.00 0.00 N ATOM 73 CA ARG A 6 2.507 7.813 4.567 1.00 0.00 C ATOM 74 C ARG A 6 1.416 7.040 5.304 1.00 0.00 C ATOM 75 O ARG A 6 1.490 6.922 6.527 1.00 0.00 O ATOM 76 CB ARG A 6 2.213 9.318 4.396 1.00 0.00 C ATOM 77 CG ARG A 6 1.746 10.050 5.663 1.00 0.00 C ATOM 78 CD ARG A 6 0.220 9.971 5.815 1.00 0.00 C ATOM 79 NE ARG A 6 -0.239 10.530 7.098 1.00 0.00 N ATOM 80 CZ ARG A 6 -0.190 9.934 8.299 1.00 0.00 C ATOM 81 NH1 ARG A 6 0.337 8.720 8.454 1.00 0.00 N ATOM 82 NH2 ARG A 6 -0.676 10.571 9.359 1.00 0.00 N ATOM 0 H ARG A 6 2.593 7.943 2.493 1.00 0.00 H new ATOM 0 HA ARG A 6 3.384 7.704 5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.115 9.807 4.027 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.449 9.436 3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.225 9.611 6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.057 11.094 5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.254 10.510 4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.098 8.931 5.739 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.636 11.469 7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.715 8.222 7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.362 8.289 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.080 11.502 9.254 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.645 10.129 10.278 1.00 0.00 H new ATOM 96 N ASP A 7 0.393 6.564 4.595 1.00 0.00 N ATOM 97 CA ASP A 7 -0.671 5.703 5.106 1.00 0.00 C ATOM 98 C ASP A 7 -1.434 5.166 3.893 1.00 0.00 C ATOM 99 O ASP A 7 -1.393 5.786 2.826 1.00 0.00 O ATOM 100 CB ASP A 7 -1.628 6.499 6.010 1.00 0.00 C ATOM 101 CG ASP A 7 -2.719 5.598 6.597 1.00 0.00 C ATOM 102 OD1 ASP A 7 -2.422 4.800 7.514 1.00 0.00 O ATOM 103 OD2 ASP A 7 -3.869 5.685 6.118 1.00 0.00 O ATOM 0 H ASP A 7 0.279 6.778 3.604 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.250 4.892 5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.065 6.965 6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.088 7.304 5.437 1.00 0.00 H new ATOM 108 N GLU A 8 -2.168 4.059 4.041 1.00 0.00 N ATOM 109 CA GLU A 8 -3.051 3.526 2.999 1.00 0.00 C ATOM 110 C GLU A 8 -4.111 4.539 2.542 1.00 0.00 C ATOM 111 O GLU A 8 -4.652 4.396 1.448 1.00 0.00 O ATOM 112 CB GLU A 8 -3.674 2.192 3.449 1.00 0.00 C ATOM 113 CG GLU A 8 -4.620 2.315 4.654 1.00 0.00 C ATOM 114 CD GLU A 8 -5.127 0.935 5.111 1.00 0.00 C ATOM 115 OE1 GLU A 8 -4.468 0.286 5.955 1.00 0.00 O ATOM 116 OE2 GLU A 8 -6.200 0.490 4.646 1.00 0.00 O ATOM 0 H GLU A 8 -2.166 3.502 4.896 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.437 3.331 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.223 1.760 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.874 1.496 3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.101 2.805 5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.468 2.947 4.390 1.00 0.00 H new ATOM 123 N THR A 9 -4.388 5.581 3.329 1.00 0.00 N ATOM 124 CA THR A 9 -5.201 6.718 2.917 1.00 0.00 C ATOM 125 C THR A 9 -4.718 7.277 1.569 1.00 0.00 C ATOM 126 O THR A 9 -5.551 7.638 0.740 1.00 0.00 O ATOM 127 CB THR A 9 -5.167 7.775 4.035 1.00 0.00 C ATOM 128 OG1 THR A 9 -5.715 7.241 5.223 1.00 0.00 O ATOM 129 CG2 THR A 9 -5.925 9.065 3.703 1.00 0.00 C ATOM 0 H THR A 9 -4.046 5.656 4.287 1.00 0.00 H new ATOM 0 HA THR A 9 -6.234 6.406 2.764 1.00 0.00 H new ATOM 0 HB THR A 9 -4.115 8.034 4.154 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.992 6.926 5.804 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.852 9.756 4.543 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.490 9.524 2.815 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.973 8.833 3.515 1.00 0.00 H new ATOM 137 N ARG A 10 -3.405 7.316 1.300 1.00 0.00 N ATOM 138 CA ARG A 10 -2.892 7.831 0.028 1.00 0.00 C ATOM 139 C ARG A 10 -3.366 6.948 -1.125 1.00 0.00 C ATOM 140 O ARG A 10 -3.914 7.466 -2.096 1.00 0.00 O ATOM 141 CB ARG A 10 -1.354 7.943 0.083 1.00 0.00 C ATOM 142 CG ARG A 10 -0.865 9.056 1.033 1.00 0.00 C ATOM 143 CD ARG A 10 -1.014 10.444 0.393 1.00 0.00 C ATOM 144 NE ARG A 10 -0.876 11.548 1.362 1.00 0.00 N ATOM 145 CZ ARG A 10 -1.000 12.848 1.054 1.00 0.00 C ATOM 146 NH1 ARG A 10 -1.147 13.238 -0.207 1.00 0.00 N ATOM 147 NH2 ARG A 10 -0.974 13.776 2.002 1.00 0.00 N ATOM 0 H ARG A 10 -2.683 6.997 1.946 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.285 8.833 -0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.937 6.989 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.973 8.135 -0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.434 9.019 1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.180 8.883 1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.263 10.559 -0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.989 10.512 -0.089 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.673 11.307 2.332 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.167 12.546 -0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.240 14.230 -0.427 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.859 13.505 2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.069 14.761 1.754 1.00 0.00 H new ATOM 161 N GLU A 11 -3.226 5.626 -0.993 1.00 0.00 N ATOM 162 CA GLU A 11 -3.721 4.664 -1.978 1.00 0.00 C ATOM 163 C GLU A 11 -5.221 4.861 -2.199 1.00 0.00 C ATOM 164 O GLU A 11 -5.669 4.899 -3.345 1.00 0.00 O ATOM 165 CB GLU A 11 -3.458 3.218 -1.514 1.00 0.00 C ATOM 166 CG GLU A 11 -1.977 2.828 -1.433 1.00 0.00 C ATOM 167 CD GLU A 11 -1.396 2.441 -2.797 1.00 0.00 C ATOM 168 OE1 GLU A 11 -1.514 3.214 -3.774 1.00 0.00 O ATOM 169 OE2 GLU A 11 -0.738 1.383 -2.905 1.00 0.00 O ATOM 0 H GLU A 11 -2.763 5.192 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.189 4.835 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.910 3.078 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.962 2.535 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.407 3.662 -1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.862 1.992 -0.743 1.00 0.00 H new ATOM 176 N HIS A 12 -5.992 5.022 -1.118 1.00 0.00 N ATOM 177 CA HIS A 12 -7.437 5.200 -1.215 1.00 0.00 C ATOM 178 C HIS A 12 -7.786 6.497 -1.944 1.00 0.00 C ATOM 179 O HIS A 12 -8.644 6.472 -2.825 1.00 0.00 O ATOM 180 CB HIS A 12 -8.097 5.154 0.171 1.00 0.00 C ATOM 181 CG HIS A 12 -8.164 3.763 0.753 1.00 0.00 C ATOM 182 ND1 HIS A 12 -7.120 3.050 1.295 1.00 0.00 N ATOM 183 CD2 HIS A 12 -9.273 2.961 0.818 1.00 0.00 C ATOM 184 CE1 HIS A 12 -7.584 1.849 1.678 1.00 0.00 C ATOM 185 NE2 HIS A 12 -8.900 1.745 1.408 1.00 0.00 N ATOM 0 H HIS A 12 -5.633 5.032 -0.163 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.833 4.370 -1.801 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.542 5.799 0.852 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.106 5.560 0.099 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -6.159 3.377 1.390 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.263 3.221 0.474 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.986 1.076 2.138 1.00 0.00 H new ATOM 193 N ARG A 13 -7.137 7.623 -1.629 1.00 0.00 N ATOM 194 CA ARG A 13 -7.411 8.899 -2.296 1.00 0.00 C ATOM 195 C ARG A 13 -7.095 8.793 -3.784 1.00 0.00 C ATOM 196 O ARG A 13 -7.912 9.213 -4.601 1.00 0.00 O ATOM 197 CB ARG A 13 -6.600 10.035 -1.645 1.00 0.00 C ATOM 198 CG ARG A 13 -7.069 10.424 -0.232 1.00 0.00 C ATOM 199 CD ARG A 13 -8.418 11.151 -0.230 1.00 0.00 C ATOM 200 NE ARG A 13 -8.821 11.537 1.134 1.00 0.00 N ATOM 201 CZ ARG A 13 -9.933 12.211 1.451 1.00 0.00 C ATOM 202 NH1 ARG A 13 -10.784 12.602 0.507 1.00 0.00 N ATOM 203 NH2 ARG A 13 -10.191 12.494 2.725 1.00 0.00 N ATOM 0 H ARG A 13 -6.414 7.676 -0.912 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.470 9.132 -2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.553 9.736 -1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.651 10.915 -2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.145 9.525 0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.317 11.063 0.232 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.354 12.040 -0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.181 10.507 -0.667 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.202 11.269 1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.593 12.389 -0.472 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.628 13.115 0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.543 12.198 3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.037 13.007 2.972 1.00 0.00 H new ATOM 217 N ILE A 14 -5.951 8.202 -4.139 1.00 0.00 N ATOM 218 CA ILE A 14 -5.572 7.968 -5.529 1.00 0.00 C ATOM 219 C ILE A 14 -6.697 7.174 -6.206 1.00 0.00 C ATOM 220 O ILE A 14 -7.277 7.631 -7.195 1.00 0.00 O ATOM 221 CB ILE A 14 -4.183 7.276 -5.570 1.00 0.00 C ATOM 222 CG1 ILE A 14 -3.070 8.267 -5.150 1.00 0.00 C ATOM 223 CG2 ILE A 14 -3.855 6.686 -6.953 1.00 0.00 C ATOM 224 CD1 ILE A 14 -1.746 7.587 -4.773 1.00 0.00 C ATOM 0 H ILE A 14 -5.261 7.872 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.459 8.896 -6.089 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.227 6.448 -4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.890 8.964 -5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.421 8.855 -4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.873 6.215 -6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.606 5.943 -7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.853 7.482 -7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.015 8.345 -4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.910 6.911 -3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.371 7.022 -5.627 1.00 0.00 H new ATOM 236 N GLU A 15 -7.039 6.016 -5.643 1.00 0.00 N ATOM 237 CA GLU A 15 -7.968 5.071 -6.243 1.00 0.00 C ATOM 238 C GLU A 15 -9.384 5.646 -6.384 1.00 0.00 C ATOM 239 O GLU A 15 -10.044 5.367 -7.382 1.00 0.00 O ATOM 240 CB GLU A 15 -7.964 3.794 -5.384 1.00 0.00 C ATOM 241 CG GLU A 15 -8.989 2.753 -5.847 1.00 0.00 C ATOM 242 CD GLU A 15 -8.819 1.418 -5.102 1.00 0.00 C ATOM 243 OE1 GLU A 15 -9.431 1.230 -4.027 1.00 0.00 O ATOM 244 OE2 GLU A 15 -8.091 0.528 -5.599 1.00 0.00 O ATOM 0 H GLU A 15 -6.670 5.707 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.643 4.846 -7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.969 3.350 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.169 4.060 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.996 3.136 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.881 2.588 -6.919 1.00 0.00 H new ATOM 251 N THR A 16 -9.851 6.441 -5.417 1.00 0.00 N ATOM 252 CA THR A 16 -11.253 6.857 -5.344 1.00 0.00 C ATOM 253 C THR A 16 -11.502 8.279 -5.866 1.00 0.00 C ATOM 254 O THR A 16 -12.664 8.632 -6.080 1.00 0.00 O ATOM 255 CB THR A 16 -11.808 6.654 -3.920 1.00 0.00 C ATOM 256 OG1 THR A 16 -11.103 7.409 -2.955 1.00 0.00 O ATOM 257 CG2 THR A 16 -11.790 5.179 -3.497 1.00 0.00 C ATOM 0 H THR A 16 -9.270 6.813 -4.666 1.00 0.00 H new ATOM 0 HA THR A 16 -11.806 6.208 -6.023 1.00 0.00 H new ATOM 0 HB THR A 16 -12.839 7.004 -3.961 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.277 6.940 -2.713 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.190 5.085 -2.487 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.402 4.596 -4.185 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.766 4.807 -3.517 1.00 0.00 H new ATOM 265 N GLU A 17 -10.459 9.082 -6.122 1.00 0.00 N ATOM 266 CA GLU A 17 -10.633 10.473 -6.555 1.00 0.00 C ATOM 267 C GLU A 17 -9.736 10.867 -7.732 1.00 0.00 C ATOM 268 O GLU A 17 -10.081 11.818 -8.435 1.00 0.00 O ATOM 269 CB GLU A 17 -10.425 11.448 -5.379 1.00 0.00 C ATOM 270 CG GLU A 17 -11.463 11.269 -4.262 1.00 0.00 C ATOM 271 CD GLU A 17 -11.366 12.391 -3.217 1.00 0.00 C ATOM 272 OE1 GLU A 17 -12.043 13.434 -3.373 1.00 0.00 O ATOM 273 OE2 GLU A 17 -10.637 12.226 -2.214 1.00 0.00 O ATOM 0 H GLU A 17 -9.486 8.790 -6.036 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.661 10.545 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.427 11.303 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.471 12.472 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.464 11.257 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.314 10.305 -3.777 1.00 0.00 H new ATOM 280 N ILE A 18 -8.632 10.155 -7.998 1.00 0.00 N ATOM 281 CA ILE A 18 -7.655 10.586 -9.003 1.00 0.00 C ATOM 282 C ILE A 18 -7.754 9.686 -10.238 1.00 0.00 C ATOM 283 O ILE A 18 -7.814 10.197 -11.354 1.00 0.00 O ATOM 284 CB ILE A 18 -6.230 10.652 -8.399 1.00 0.00 C ATOM 285 CG1 ILE A 18 -6.237 11.467 -7.081 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.252 11.262 -9.416 1.00 0.00 C ATOM 287 CD1 ILE A 18 -4.860 11.774 -6.481 1.00 0.00 C ATOM 0 H ILE A 18 -8.395 9.280 -7.531 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.884 11.601 -9.328 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.899 9.640 -8.168 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.753 12.410 -7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.822 10.921 -6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.254 11.304 -8.981 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.231 10.646 -10.315 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.577 12.270 -9.674 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.983 12.348 -5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.343 10.840 -6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.273 12.353 -7.194 1.00 0.00 H new ATOM 299 N ILE A 19 -7.850 8.364 -10.059 1.00 0.00 N ATOM 300 CA ILE A 19 -7.896 7.397 -11.162 1.00 0.00 C ATOM 301 C ILE A 19 -9.160 6.524 -11.116 1.00 0.00 C ATOM 302 O ILE A 19 -9.245 5.518 -11.817 1.00 0.00 O ATOM 303 CB ILE A 19 -6.582 6.607 -11.230 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.296 5.915 -9.888 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.430 7.531 -11.674 1.00 0.00 C ATOM 306 CD1 ILE A 19 -5.142 4.941 -10.013 1.00 0.00 C ATOM 0 H ILE A 19 -7.898 7.931 -9.137 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.979 7.939 -12.104 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.673 5.819 -11.978 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.064 6.664 -9.131 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.187 5.386 -9.550 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.502 6.960 -11.719 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.652 7.941 -12.659 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.320 8.346 -10.958 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.961 4.466 -9.049 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.387 4.179 -10.753 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.246 5.477 -10.327 1.00 0.00 H new ATOM 318 N VAL A 20 -10.160 6.916 -10.323 1.00 0.00 N ATOM 319 CA VAL A 20 -11.429 6.203 -10.177 1.00 0.00 C ATOM 320 C VAL A 20 -12.130 5.961 -11.525 1.00 0.00 C ATOM 321 O VAL A 20 -12.749 4.914 -11.721 1.00 0.00 O ATOM 322 CB VAL A 20 -12.300 6.966 -9.156 1.00 0.00 C ATOM 323 CG1 VAL A 20 -12.782 8.345 -9.640 1.00 0.00 C ATOM 324 CG2 VAL A 20 -13.490 6.134 -8.663 1.00 0.00 C ATOM 0 H VAL A 20 -10.107 7.759 -9.751 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.244 5.199 -9.794 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.627 7.146 -8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.387 8.812 -8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.920 8.976 -9.858 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.381 8.225 -10.543 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.070 6.717 -7.947 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.122 5.866 -9.510 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.125 5.227 -8.181 1.00 0.00 H new ATOM 334 N ASP A 21 -12.014 6.907 -12.464 1.00 0.00 N ATOM 335 CA ASP A 21 -12.669 6.844 -13.773 1.00 0.00 C ATOM 336 C ASP A 21 -11.793 6.144 -14.825 1.00 0.00 C ATOM 337 O ASP A 21 -12.241 5.905 -15.948 1.00 0.00 O ATOM 338 CB ASP A 21 -13.010 8.274 -14.217 1.00 0.00 C ATOM 339 CG ASP A 21 -13.831 8.313 -15.519 1.00 0.00 C ATOM 340 OD1 ASP A 21 -14.968 7.788 -15.541 1.00 0.00 O ATOM 341 OD2 ASP A 21 -13.375 8.929 -16.509 1.00 0.00 O ATOM 0 H ASP A 21 -11.454 7.749 -12.333 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.578 6.250 -13.682 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.569 8.772 -13.425 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.087 8.836 -14.358 1.00 0.00 H new ATOM 346 N ALA A 22 -10.536 5.828 -14.486 1.00 0.00 N ATOM 347 CA ALA A 22 -9.573 5.271 -15.428 1.00 0.00 C ATOM 348 C ALA A 22 -9.832 3.780 -15.703 1.00 0.00 C ATOM 349 O ALA A 22 -10.651 3.137 -15.041 1.00 0.00 O ATOM 350 CB ALA A 22 -8.148 5.507 -14.917 1.00 0.00 C ATOM 0 H ALA A 22 -10.163 5.954 -13.545 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.693 5.786 -16.381 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.433 5.088 -15.626 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.971 6.578 -14.813 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.024 5.023 -13.948 1.00 0.00 H new ATOM 356 N GLU A 23 -9.099 3.225 -16.674 1.00 0.00 N ATOM 357 CA GLU A 23 -9.207 1.831 -17.103 1.00 0.00 C ATOM 358 C GLU A 23 -7.866 1.371 -17.693 1.00 0.00 C ATOM 359 O GLU A 23 -7.358 0.314 -17.320 1.00 0.00 O ATOM 360 CB GLU A 23 -10.340 1.717 -18.143 1.00 0.00 C ATOM 361 CG GLU A 23 -10.666 0.274 -18.559 1.00 0.00 C ATOM 362 CD GLU A 23 -11.312 -0.539 -17.420 1.00 0.00 C ATOM 363 OE1 GLU A 23 -12.555 -0.500 -17.269 1.00 0.00 O ATOM 364 OE2 GLU A 23 -10.591 -1.247 -16.682 1.00 0.00 O ATOM 0 H GLU A 23 -8.396 3.749 -17.196 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.443 1.188 -16.255 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.240 2.179 -17.736 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.063 2.286 -19.030 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.339 0.290 -19.416 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.751 -0.223 -18.882 1.00 0.00 H new ATOM 371 N ASP A 24 -7.233 2.203 -18.528 1.00 0.00 N ATOM 372 CA ASP A 24 -5.930 1.941 -19.153 1.00 0.00 C ATOM 373 C ASP A 24 -4.865 2.802 -18.463 1.00 0.00 C ATOM 374 O ASP A 24 -5.194 3.603 -17.583 1.00 0.00 O ATOM 375 CB ASP A 24 -6.024 2.245 -20.656 1.00 0.00 C ATOM 376 CG ASP A 24 -4.802 1.750 -21.438 1.00 0.00 C ATOM 377 OD1 ASP A 24 -4.787 0.578 -21.875 1.00 0.00 O ATOM 378 OD2 ASP A 24 -3.842 2.539 -21.570 1.00 0.00 O ATOM 0 H ASP A 24 -7.625 3.106 -18.796 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.647 0.895 -19.038 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.922 1.779 -21.061 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.130 3.320 -20.799 1.00 0.00 H new ATOM 383 N LYS A 25 -3.588 2.666 -18.818 1.00 0.00 N ATOM 384 CA LYS A 25 -2.544 3.542 -18.293 1.00 0.00 C ATOM 385 C LYS A 25 -2.636 4.942 -18.896 1.00 0.00 C ATOM 386 O LYS A 25 -2.333 5.910 -18.201 1.00 0.00 O ATOM 387 CB LYS A 25 -1.148 2.926 -18.468 1.00 0.00 C ATOM 388 CG LYS A 25 -0.744 2.561 -19.907 1.00 0.00 C ATOM 389 CD LYS A 25 0.690 2.008 -19.944 1.00 0.00 C ATOM 390 CE LYS A 25 0.789 0.636 -19.254 1.00 0.00 C ATOM 391 NZ LYS A 25 1.991 0.517 -18.395 1.00 0.00 N ATOM 0 H LYS A 25 -3.252 1.956 -19.468 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.709 3.646 -17.221 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.412 3.626 -18.072 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.092 2.025 -17.857 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.436 1.820 -20.307 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.816 3.442 -20.545 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.019 1.919 -20.979 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.364 2.711 -19.454 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.103 0.472 -18.649 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.809 -0.147 -20.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.084 -0.464 -18.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.836 0.779 -18.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.897 1.153 -17.577 1.00 0.00 H new ATOM 405 N GLU A 26 -3.114 5.071 -20.138 1.00 0.00 N ATOM 406 CA GLU A 26 -3.360 6.383 -20.732 1.00 0.00 C ATOM 407 C GLU A 26 -4.481 7.068 -19.944 1.00 0.00 C ATOM 408 O GLU A 26 -4.386 8.243 -19.598 1.00 0.00 O ATOM 409 CB GLU A 26 -3.735 6.245 -22.217 1.00 0.00 C ATOM 410 CG GLU A 26 -2.587 5.678 -23.068 1.00 0.00 C ATOM 411 CD GLU A 26 -2.946 5.645 -24.566 1.00 0.00 C ATOM 412 OE1 GLU A 26 -3.787 4.817 -24.986 1.00 0.00 O ATOM 413 OE2 GLU A 26 -2.369 6.430 -25.353 1.00 0.00 O ATOM 0 H GLU A 26 -3.337 4.284 -20.747 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.455 6.989 -20.682 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.605 5.595 -22.309 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.023 7.221 -22.607 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.693 6.284 -22.922 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.347 4.670 -22.730 1.00 0.00 H new ATOM 420 N GLU A 27 -5.521 6.312 -19.585 1.00 0.00 N ATOM 421 CA GLU A 27 -6.646 6.837 -18.823 1.00 0.00 C ATOM 422 C GLU A 27 -6.215 7.201 -17.402 1.00 0.00 C ATOM 423 O GLU A 27 -6.706 8.185 -16.857 1.00 0.00 O ATOM 424 CB GLU A 27 -7.796 5.825 -18.805 1.00 0.00 C ATOM 425 CG GLU A 27 -8.310 5.448 -20.204 1.00 0.00 C ATOM 426 CD GLU A 27 -8.970 6.634 -20.932 1.00 0.00 C ATOM 427 OE1 GLU A 27 -10.134 6.971 -20.620 1.00 0.00 O ATOM 428 OE2 GLU A 27 -8.341 7.226 -21.837 1.00 0.00 O ATOM 0 H GLU A 27 -5.603 5.322 -19.816 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.999 7.747 -19.309 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.465 4.921 -18.294 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.621 6.236 -18.223 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.480 5.075 -20.804 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.030 4.635 -20.115 1.00 0.00 H new ATOM 435 N ARG A 28 -5.282 6.455 -16.795 1.00 0.00 N ATOM 436 CA ARG A 28 -4.751 6.815 -15.476 1.00 0.00 C ATOM 437 C ARG A 28 -3.964 8.119 -15.558 1.00 0.00 C ATOM 438 O ARG A 28 -4.131 8.970 -14.684 1.00 0.00 O ATOM 439 CB ARG A 28 -3.884 5.687 -14.895 1.00 0.00 C ATOM 440 CG ARG A 28 -4.728 4.511 -14.383 1.00 0.00 C ATOM 441 CD ARG A 28 -3.852 3.313 -13.999 1.00 0.00 C ATOM 442 NE ARG A 28 -4.647 2.180 -13.493 1.00 0.00 N ATOM 443 CZ ARG A 28 -5.373 1.324 -14.228 1.00 0.00 C ATOM 444 NH1 ARG A 28 -5.524 1.507 -15.537 1.00 0.00 N ATOM 445 NH2 ARG A 28 -5.954 0.281 -13.646 1.00 0.00 N ATOM 0 H ARG A 28 -4.883 5.605 -17.194 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.594 6.961 -14.801 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.194 5.331 -15.660 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.279 6.080 -14.078 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.310 4.829 -13.518 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.439 4.211 -15.152 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.278 2.992 -14.868 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.134 3.619 -13.238 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.645 2.032 -12.484 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.085 2.306 -15.994 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.079 0.848 -16.083 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.848 0.132 -12.643 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.506 -0.371 -14.203 1.00 0.00 H new ATOM 459 N ALA A 29 -3.154 8.309 -16.603 1.00 0.00 N ATOM 460 CA ALA A 29 -2.444 9.561 -16.820 1.00 0.00 C ATOM 461 C ALA A 29 -3.438 10.718 -16.957 1.00 0.00 C ATOM 462 O ALA A 29 -3.250 11.762 -16.334 1.00 0.00 O ATOM 463 CB ALA A 29 -1.545 9.436 -18.054 1.00 0.00 C ATOM 0 H ALA A 29 -2.976 7.601 -17.315 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.810 9.776 -15.960 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.015 10.375 -18.214 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.824 8.634 -17.899 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.156 9.211 -18.928 1.00 0.00 H new ATOM 469 N MET A 30 -4.522 10.534 -17.714 1.00 0.00 N ATOM 470 CA MET A 30 -5.577 11.531 -17.833 1.00 0.00 C ATOM 471 C MET A 30 -6.299 11.763 -16.503 1.00 0.00 C ATOM 472 O MET A 30 -6.611 12.909 -16.191 1.00 0.00 O ATOM 473 CB MET A 30 -6.536 11.133 -18.959 1.00 0.00 C ATOM 474 CG MET A 30 -6.091 11.686 -20.321 1.00 0.00 C ATOM 475 SD MET A 30 -4.398 11.343 -20.905 1.00 0.00 S ATOM 476 CE MET A 30 -3.459 12.735 -20.205 1.00 0.00 C ATOM 0 H MET A 30 -4.689 9.689 -18.260 1.00 0.00 H new ATOM 0 HA MET A 30 -5.126 12.489 -18.093 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.599 10.046 -19.013 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.536 11.500 -18.729 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.782 11.304 -21.073 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.216 12.768 -20.293 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.596 12.946 -20.837 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.098 13.617 -20.156 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.120 12.477 -19.202 1.00 0.00 H new ATOM 486 N GLY A 31 -6.520 10.727 -15.692 1.00 0.00 N ATOM 487 CA GLY A 31 -7.106 10.865 -14.366 1.00 0.00 C ATOM 488 C GLY A 31 -6.278 11.824 -13.510 1.00 0.00 C ATOM 489 O GLY A 31 -6.805 12.820 -13.004 1.00 0.00 O ATOM 0 H GLY A 31 -6.295 9.764 -15.942 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.128 11.234 -14.451 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.158 9.890 -13.882 1.00 0.00 H new ATOM 493 N TRP A 32 -4.964 11.584 -13.434 1.00 0.00 N ATOM 494 CA TRP A 32 -4.035 12.494 -12.777 1.00 0.00 C ATOM 495 C TRP A 32 -4.109 13.893 -13.384 1.00 0.00 C ATOM 496 O TRP A 32 -4.208 14.866 -12.634 1.00 0.00 O ATOM 497 CB TRP A 32 -2.606 11.946 -12.855 1.00 0.00 C ATOM 498 CG TRP A 32 -2.255 10.980 -11.771 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.230 9.633 -11.866 1.00 0.00 C ATOM 500 CD2 TRP A 32 -1.869 11.290 -10.400 1.00 0.00 C ATOM 501 NE1 TRP A 32 -1.838 9.088 -10.658 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.601 10.068 -9.715 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.725 12.491 -9.669 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.192 10.048 -8.373 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.301 12.479 -8.327 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.022 11.259 -7.686 1.00 0.00 C ATOM 0 H TRP A 32 -4.521 10.754 -13.827 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.322 12.571 -11.728 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.470 11.456 -13.819 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.907 12.782 -12.820 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.479 9.067 -12.752 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.737 8.088 -10.485 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.944 13.434 -10.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.010 9.108 -7.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.190 13.409 -7.789 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.676 11.254 -6.663 1.00 0.00 H new ATOM 517 N TYR A 33 -4.092 13.997 -14.716 1.00 0.00 N ATOM 518 CA TYR A 33 -4.078 15.279 -15.403 1.00 0.00 C ATOM 519 C TYR A 33 -5.285 16.121 -15.002 1.00 0.00 C ATOM 520 O TYR A 33 -5.110 17.258 -14.565 1.00 0.00 O ATOM 521 CB TYR A 33 -4.033 15.077 -16.924 1.00 0.00 C ATOM 522 CG TYR A 33 -4.280 16.360 -17.688 1.00 0.00 C ATOM 523 CD1 TYR A 33 -3.263 17.324 -17.770 1.00 0.00 C ATOM 524 CD2 TYR A 33 -5.557 16.639 -18.212 1.00 0.00 C ATOM 525 CE1 TYR A 33 -3.520 18.567 -18.367 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.823 17.887 -18.800 1.00 0.00 C ATOM 527 CZ TYR A 33 -4.800 18.859 -18.887 1.00 0.00 C ATOM 528 OH TYR A 33 -5.041 20.075 -19.454 1.00 0.00 O ATOM 0 H TYR A 33 -4.088 13.192 -15.342 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.178 15.817 -15.105 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.060 14.673 -17.205 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.781 14.338 -17.211 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.282 17.109 -17.373 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.335 15.891 -18.162 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.734 19.305 -18.429 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.808 18.104 -19.185 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.970 20.114 -19.763 1.00 0.00 H new ATOM 538 N TYR A 34 -6.500 15.580 -15.122 1.00 0.00 N ATOM 539 CA TYR A 34 -7.706 16.353 -14.876 1.00 0.00 C ATOM 540 C TYR A 34 -7.859 16.671 -13.390 1.00 0.00 C ATOM 541 O TYR A 34 -8.316 17.763 -13.059 1.00 0.00 O ATOM 542 CB TYR A 34 -8.938 15.620 -15.421 1.00 0.00 C ATOM 543 CG TYR A 34 -9.004 15.551 -16.939 1.00 0.00 C ATOM 544 CD1 TYR A 34 -9.108 16.736 -17.696 1.00 0.00 C ATOM 545 CD2 TYR A 34 -8.978 14.307 -17.597 1.00 0.00 C ATOM 546 CE1 TYR A 34 -9.203 16.678 -19.099 1.00 0.00 C ATOM 547 CE2 TYR A 34 -9.059 14.241 -19.000 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.174 15.428 -19.759 1.00 0.00 C ATOM 549 OH TYR A 34 -9.255 15.352 -21.117 1.00 0.00 O ATOM 0 H TYR A 34 -6.668 14.610 -15.388 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.619 17.301 -15.406 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.949 14.606 -15.022 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.835 16.117 -15.052 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.115 17.693 -17.196 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.895 13.397 -17.021 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.298 17.589 -19.672 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.033 13.283 -19.498 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.218 14.413 -21.395 1.00 0.00 H new ATOM 559 N TYR A 35 -7.456 15.766 -12.490 1.00 0.00 N ATOM 560 CA TYR A 35 -7.505 16.025 -11.057 1.00 0.00 C ATOM 561 C TYR A 35 -6.595 17.207 -10.700 1.00 0.00 C ATOM 562 O TYR A 35 -7.022 18.138 -10.014 1.00 0.00 O ATOM 563 CB TYR A 35 -7.112 14.750 -10.299 1.00 0.00 C ATOM 564 CG TYR A 35 -7.211 14.877 -8.792 1.00 0.00 C ATOM 565 CD1 TYR A 35 -8.470 14.825 -8.164 1.00 0.00 C ATOM 566 CD2 TYR A 35 -6.049 15.045 -8.016 1.00 0.00 C ATOM 567 CE1 TYR A 35 -8.569 14.946 -6.767 1.00 0.00 C ATOM 568 CE2 TYR A 35 -6.138 15.177 -6.619 1.00 0.00 C ATOM 569 CZ TYR A 35 -7.403 15.126 -5.986 1.00 0.00 C ATOM 570 OH TYR A 35 -7.511 15.235 -4.632 1.00 0.00 O ATOM 0 H TYR A 35 -7.092 14.846 -12.736 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.518 16.298 -10.762 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.752 13.932 -10.628 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.090 14.481 -10.565 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.362 14.692 -8.757 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.082 15.073 -8.497 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.537 14.902 -6.289 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.243 15.317 -6.030 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.620 15.353 -4.241 1.00 0.00 H new ATOM 580 N LEU A 36 -5.357 17.211 -11.203 1.00 0.00 N ATOM 581 CA LEU A 36 -4.401 18.283 -10.950 1.00 0.00 C ATOM 582 C LEU A 36 -4.882 19.571 -11.605 1.00 0.00 C ATOM 583 O LEU A 36 -4.866 20.610 -10.953 1.00 0.00 O ATOM 584 CB LEU A 36 -3.006 17.886 -11.466 1.00 0.00 C ATOM 585 CG LEU A 36 -2.088 17.264 -10.394 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.749 16.180 -9.536 1.00 0.00 C ATOM 587 CD2 LEU A 36 -0.866 16.657 -11.087 1.00 0.00 C ATOM 0 H LEU A 36 -4.993 16.467 -11.798 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.326 18.451 -9.876 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.122 17.176 -12.285 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.518 18.770 -11.877 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.824 18.074 -9.714 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.029 15.801 -8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.605 16.604 -9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.084 15.364 -10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.207 16.213 -10.340 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.190 15.888 -11.788 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.329 17.437 -11.627 1.00 0.00 H new ATOM 599 N ASP A 37 -5.359 19.517 -12.848 1.00 0.00 N ATOM 600 CA ASP A 37 -5.877 20.690 -13.546 1.00 0.00 C ATOM 601 C ASP A 37 -7.062 21.318 -12.809 1.00 0.00 C ATOM 602 O ASP A 37 -7.201 22.541 -12.801 1.00 0.00 O ATOM 603 CB ASP A 37 -6.274 20.316 -14.978 1.00 0.00 C ATOM 604 CG ASP A 37 -6.895 21.513 -15.714 1.00 0.00 C ATOM 605 OD1 ASP A 37 -6.143 22.418 -16.136 1.00 0.00 O ATOM 606 OD2 ASP A 37 -8.132 21.532 -15.908 1.00 0.00 O ATOM 0 H ASP A 37 -5.397 18.659 -13.398 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.083 21.436 -13.575 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.396 19.967 -15.522 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.985 19.490 -14.957 1.00 0.00 H new ATOM 611 N ASP A 38 -7.889 20.503 -12.146 1.00 0.00 N ATOM 612 CA ASP A 38 -9.017 20.985 -11.350 1.00 0.00 C ATOM 613 C ASP A 38 -8.580 21.529 -9.983 1.00 0.00 C ATOM 614 O ASP A 38 -9.285 22.354 -9.397 1.00 0.00 O ATOM 615 CB ASP A 38 -10.034 19.853 -11.154 1.00 0.00 C ATOM 616 CG ASP A 38 -11.258 20.319 -10.347 1.00 0.00 C ATOM 617 OD1 ASP A 38 -12.060 21.126 -10.870 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.457 19.843 -9.207 1.00 0.00 O ATOM 0 H ASP A 38 -7.793 19.488 -12.148 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.472 21.810 -11.898 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.359 19.484 -12.127 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.556 19.019 -10.640 1.00 0.00 H new ATOM 623 N THR A 39 -7.421 21.103 -9.476 1.00 0.00 N ATOM 624 CA THR A 39 -7.006 21.379 -8.101 1.00 0.00 C ATOM 625 C THR A 39 -6.013 22.544 -8.013 1.00 0.00 C ATOM 626 O THR A 39 -6.137 23.393 -7.129 1.00 0.00 O ATOM 627 CB THR A 39 -6.395 20.095 -7.510 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.351 19.055 -7.504 1.00 0.00 O ATOM 629 CG2 THR A 39 -5.875 20.307 -6.086 1.00 0.00 C ATOM 0 H THR A 39 -6.744 20.557 -10.009 1.00 0.00 H new ATOM 0 HA THR A 39 -7.882 21.681 -7.527 1.00 0.00 H new ATOM 0 HB THR A 39 -5.551 19.823 -8.144 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.268 18.529 -8.327 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.453 19.375 -5.710 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.105 21.078 -6.091 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.697 20.619 -5.441 1.00 0.00 H new ATOM 637 N LEU A 40 -5.013 22.565 -8.894 1.00 0.00 N ATOM 638 CA LEU A 40 -3.876 23.472 -8.812 1.00 0.00 C ATOM 639 C LEU A 40 -4.343 24.907 -9.069 1.00 0.00 C ATOM 640 O LEU A 40 -4.924 25.197 -10.116 1.00 0.00 O ATOM 641 CB LEU A 40 -2.816 23.055 -9.847 1.00 0.00 C ATOM 642 CG LEU A 40 -2.140 21.690 -9.594 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.378 21.267 -10.853 1.00 0.00 C ATOM 644 CD2 LEU A 40 -1.164 21.682 -8.421 1.00 0.00 C ATOM 0 H LEU A 40 -4.973 21.939 -9.698 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.435 23.423 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.284 23.032 -10.831 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.043 23.823 -9.879 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.944 20.998 -9.344 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.898 20.304 -10.681 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.074 21.182 -11.688 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.619 22.014 -11.087 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.734 20.686 -8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.368 22.403 -8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.692 21.951 -7.506 1.00 0.00 H new ATOM 656 N GLU A 41 -4.048 25.818 -8.144 1.00 0.00 N ATOM 657 CA GLU A 41 -4.416 27.232 -8.197 1.00 0.00 C ATOM 658 C GLU A 41 -3.410 28.020 -9.061 1.00 0.00 C ATOM 659 O GLU A 41 -2.904 29.067 -8.652 1.00 0.00 O ATOM 660 CB GLU A 41 -4.529 27.784 -6.759 1.00 0.00 C ATOM 661 CG GLU A 41 -5.707 27.201 -5.958 1.00 0.00 C ATOM 662 CD GLU A 41 -7.068 27.710 -6.469 1.00 0.00 C ATOM 663 OE1 GLU A 41 -7.527 28.784 -6.015 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.705 27.045 -7.317 1.00 0.00 O ATOM 0 H GLU A 41 -3.524 25.581 -7.301 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.389 27.348 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.601 27.575 -6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.634 28.868 -6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.682 26.113 -6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.594 27.464 -4.906 1.00 0.00 H new ATOM 671 N PHE A 42 -3.056 27.495 -10.239 1.00 0.00 N ATOM 672 CA PHE A 42 -2.219 28.207 -11.205 1.00 0.00 C ATOM 673 C PHE A 42 -2.943 29.472 -11.721 1.00 0.00 C ATOM 674 O PHE A 42 -4.177 29.524 -11.658 1.00 0.00 O ATOM 675 CB PHE A 42 -1.814 27.255 -12.341 1.00 0.00 C ATOM 676 CG PHE A 42 -2.951 26.668 -13.159 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.605 27.445 -14.136 1.00 0.00 C ATOM 678 CD2 PHE A 42 -3.302 25.315 -13.001 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.622 26.880 -14.926 1.00 0.00 C ATOM 680 CE2 PHE A 42 -4.321 24.751 -13.788 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.984 25.534 -14.748 1.00 0.00 C ATOM 0 H PHE A 42 -3.342 26.566 -10.547 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.304 28.546 -10.719 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.147 27.791 -13.016 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.240 26.433 -11.912 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.324 28.478 -14.279 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.787 24.707 -12.272 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.125 27.481 -15.670 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.595 23.715 -13.655 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.771 25.102 -15.348 1.00 0.00 H new ATOM 691 N PRO A 43 -2.233 30.471 -12.287 1.00 0.00 N ATOM 692 CA PRO A 43 -0.776 30.601 -12.331 1.00 0.00 C ATOM 693 C PRO A 43 -0.202 30.816 -10.925 1.00 0.00 C ATOM 694 O PRO A 43 -0.860 31.412 -10.068 1.00 0.00 O ATOM 695 CB PRO A 43 -0.509 31.810 -13.235 1.00 0.00 C ATOM 696 CG PRO A 43 -1.748 32.681 -13.058 1.00 0.00 C ATOM 697 CD PRO A 43 -2.859 31.650 -12.872 1.00 0.00 C ATOM 0 HA PRO A 43 -0.296 29.700 -12.714 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.397 32.339 -12.938 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.377 31.510 -14.275 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.659 33.341 -12.195 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.925 33.315 -13.927 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.643 32.037 -12.221 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.328 31.408 -13.826 1.00 0.00 H new ATOM 705 N PHE A 44 1.020 30.335 -10.683 1.00 0.00 N ATOM 706 CA PHE A 44 1.705 30.499 -9.400 1.00 0.00 C ATOM 707 C PHE A 44 3.214 30.521 -9.625 1.00 0.00 C ATOM 708 O PHE A 44 3.685 30.108 -10.679 1.00 0.00 O ATOM 709 CB PHE A 44 1.286 29.405 -8.400 1.00 0.00 C ATOM 710 CG PHE A 44 1.501 27.946 -8.786 1.00 0.00 C ATOM 711 CD1 PHE A 44 2.800 27.412 -8.878 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.401 27.080 -8.937 1.00 0.00 C ATOM 713 CE1 PHE A 44 3.005 26.047 -9.127 1.00 0.00 C ATOM 714 CE2 PHE A 44 0.601 25.714 -9.203 1.00 0.00 C ATOM 715 CZ PHE A 44 1.903 25.193 -9.296 1.00 0.00 C ATOM 0 H PHE A 44 1.564 29.819 -11.375 1.00 0.00 H new ATOM 0 HA PHE A 44 1.412 31.451 -8.958 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.823 29.584 -7.468 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.225 29.539 -8.187 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.652 28.064 -8.755 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.603 27.468 -8.848 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.009 25.653 -9.189 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.250 25.062 -9.336 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.055 24.143 -9.496 1.00 0.00 H new ATOM 725 N MET A 45 3.995 30.981 -8.651 1.00 0.00 N ATOM 726 CA MET A 45 5.453 30.940 -8.733 1.00 0.00 C ATOM 727 C MET A 45 5.939 29.563 -8.271 1.00 0.00 C ATOM 728 O MET A 45 5.347 28.979 -7.362 1.00 0.00 O ATOM 729 CB MET A 45 5.999 32.052 -7.825 1.00 0.00 C ATOM 730 CG MET A 45 7.522 32.171 -7.856 1.00 0.00 C ATOM 731 SD MET A 45 8.162 33.357 -6.649 1.00 0.00 S ATOM 732 CE MET A 45 9.922 33.107 -6.965 1.00 0.00 C ATOM 0 H MET A 45 3.638 31.390 -7.788 1.00 0.00 H new ATOM 0 HA MET A 45 5.803 31.098 -9.753 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.562 33.004 -8.127 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.678 31.864 -6.800 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.962 31.192 -7.664 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.837 32.472 -8.855 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.505 33.602 -6.189 1.00 0.00 H new ATOM 0 HE2 MET A 45 10.144 32.040 -6.961 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.180 33.528 -7.937 1.00 0.00 H new ATOM 742 N GLY A 46 7.040 29.050 -8.821 1.00 0.00 N ATOM 743 CA GLY A 46 7.660 27.838 -8.326 1.00 0.00 C ATOM 744 C GLY A 46 9.146 27.827 -8.631 1.00 0.00 C ATOM 745 O GLY A 46 9.654 28.627 -9.420 1.00 0.00 O ATOM 0 H GLY A 46 7.519 29.467 -9.619 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.505 27.759 -7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.185 26.969 -8.782 1.00 0.00 H new ATOM 749 N LYS A 47 9.854 26.909 -7.985 1.00 0.00 N ATOM 750 CA LYS A 47 11.239 26.616 -8.323 1.00 0.00 C ATOM 751 C LYS A 47 11.228 25.375 -9.207 1.00 0.00 C ATOM 752 O LYS A 47 10.646 24.355 -8.834 1.00 0.00 O ATOM 753 CB LYS A 47 12.060 26.376 -7.041 1.00 0.00 C ATOM 754 CG LYS A 47 13.578 26.446 -7.285 1.00 0.00 C ATOM 755 CD LYS A 47 14.112 27.879 -7.464 1.00 0.00 C ATOM 756 CE LYS A 47 14.074 28.681 -6.153 1.00 0.00 C ATOM 757 NZ LYS A 47 14.832 29.952 -6.254 1.00 0.00 N ATOM 0 H LYS A 47 9.486 26.350 -7.216 1.00 0.00 H new ATOM 0 HA LYS A 47 11.702 27.451 -8.849 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.782 27.118 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.807 25.399 -6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.094 25.978 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.821 25.864 -8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.136 27.840 -7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.519 28.394 -8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.038 28.897 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.488 28.076 -5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.481 30.623 -5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.842 29.768 -6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.705 30.358 -7.203 1.00 0.00 H new ATOM 771 N TRP A 48 11.847 25.457 -10.380 1.00 0.00 N ATOM 772 CA TRP A 48 12.112 24.305 -11.220 1.00 0.00 C ATOM 773 C TRP A 48 13.397 23.712 -10.647 1.00 0.00 C ATOM 774 O TRP A 48 14.467 24.308 -10.774 1.00 0.00 O ATOM 775 CB TRP A 48 12.244 24.753 -12.686 1.00 0.00 C ATOM 776 CG TRP A 48 12.331 23.684 -13.739 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.455 22.353 -13.532 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.279 23.839 -15.193 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.509 21.686 -14.735 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.410 22.554 -15.800 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.113 24.940 -16.061 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.396 22.373 -17.191 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.077 24.771 -17.459 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.224 23.492 -18.025 1.00 0.00 C ATOM 0 H TRP A 48 12.181 26.337 -10.774 1.00 0.00 H new ATOM 0 HA TRP A 48 11.316 23.560 -11.222 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.389 25.386 -12.921 1.00 0.00 H new ATOM 0 HB3 TRP A 48 13.134 25.377 -12.767 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.505 21.881 -12.562 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.610 20.675 -14.826 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.012 25.931 -15.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.516 21.387 -17.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 11.936 25.629 -18.100 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.205 23.370 -19.098 1.00 0.00 H new ATOM 795 N LYS A 49 13.299 22.577 -9.956 1.00 0.00 N ATOM 796 CA LYS A 49 14.410 21.885 -9.308 1.00 0.00 C ATOM 797 C LYS A 49 14.803 20.735 -10.235 1.00 0.00 C ATOM 798 O LYS A 49 14.592 19.561 -9.933 1.00 0.00 O ATOM 799 CB LYS A 49 13.976 21.429 -7.903 1.00 0.00 C ATOM 800 CG LYS A 49 13.890 22.624 -6.940 1.00 0.00 C ATOM 801 CD LYS A 49 13.301 22.281 -5.566 1.00 0.00 C ATOM 802 CE LYS A 49 14.043 21.146 -4.847 1.00 0.00 C ATOM 803 NZ LYS A 49 13.586 20.990 -3.445 1.00 0.00 N ATOM 0 H LYS A 49 12.408 22.096 -9.828 1.00 0.00 H new ATOM 0 HA LYS A 49 15.281 22.522 -9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.007 20.933 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.686 20.697 -7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 49 14.889 23.038 -6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.282 23.404 -7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.321 23.172 -4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.255 22.000 -5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.887 20.211 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.114 21.347 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.603 19.983 -3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.218 21.522 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.617 21.355 -3.353 1.00 0.00 H new ATOM 817 N LYS A 50 15.273 21.111 -11.423 1.00 0.00 N ATOM 818 CA LYS A 50 15.541 20.203 -12.532 1.00 0.00 C ATOM 819 C LYS A 50 16.592 19.178 -12.109 1.00 0.00 C ATOM 820 O LYS A 50 17.737 19.553 -11.862 1.00 0.00 O ATOM 821 CB LYS A 50 15.977 21.029 -13.751 1.00 0.00 C ATOM 822 CG LYS A 50 16.158 20.161 -15.002 1.00 0.00 C ATOM 823 CD LYS A 50 16.371 21.045 -16.240 1.00 0.00 C ATOM 824 CE LYS A 50 16.686 20.216 -17.493 1.00 0.00 C ATOM 825 NZ LYS A 50 18.089 19.730 -17.516 1.00 0.00 N ATOM 0 H LYS A 50 15.483 22.084 -11.645 1.00 0.00 H new ATOM 0 HA LYS A 50 14.646 19.647 -12.809 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.233 21.800 -13.950 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.913 21.540 -13.526 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.012 19.496 -14.871 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.281 19.530 -15.144 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.477 21.643 -16.416 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.188 21.742 -16.052 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.009 19.363 -17.540 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.500 20.820 -18.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.205 19.041 -18.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.732 20.533 -17.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.314 19.275 -16.608 1.00 0.00 H new ATOM 839 N LYS A 51 16.237 17.895 -12.018 1.00 0.00 N ATOM 840 CA LYS A 51 17.218 16.832 -11.807 1.00 0.00 C ATOM 841 C LYS A 51 17.866 16.524 -13.160 1.00 0.00 C ATOM 842 O LYS A 51 17.143 16.247 -14.120 1.00 0.00 O ATOM 843 CB LYS A 51 16.559 15.623 -11.109 1.00 0.00 C ATOM 844 CG LYS A 51 15.766 14.668 -12.012 1.00 0.00 C ATOM 845 CD LYS A 51 14.952 13.624 -11.227 1.00 0.00 C ATOM 846 CE LYS A 51 13.772 14.205 -10.427 1.00 0.00 C ATOM 847 NZ LYS A 51 12.758 14.847 -11.297 1.00 0.00 N ATOM 0 H LYS A 51 15.274 17.567 -12.088 1.00 0.00 H new ATOM 0 HA LYS A 51 18.014 17.135 -11.128 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.339 15.051 -10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.889 15.998 -10.335 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.090 15.249 -12.639 1.00 0.00 H new ATOM 0 HG3 LYS A 51 16.457 14.153 -12.680 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.570 12.880 -11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.619 13.103 -10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.300 13.409 -9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.147 14.936 -9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.961 15.177 -10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.186 15.657 -11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.415 14.158 -11.997 1.00 0.00 H new ATOM 861 N SER A 52 19.200 16.562 -13.249 1.00 0.00 N ATOM 862 CA SER A 52 19.935 16.136 -14.449 1.00 0.00 C ATOM 863 C SER A 52 21.460 16.158 -14.294 1.00 0.00 C ATOM 864 O SER A 52 22.141 15.362 -14.941 1.00 0.00 O ATOM 865 CB SER A 52 19.556 17.003 -15.669 1.00 0.00 C ATOM 866 OG SER A 52 19.379 18.378 -15.346 1.00 0.00 O ATOM 0 H SER A 52 19.802 16.888 -12.493 1.00 0.00 H new ATOM 0 HA SER A 52 19.636 15.099 -14.601 1.00 0.00 H new ATOM 0 HB2 SER A 52 20.334 16.912 -16.427 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.636 16.618 -16.108 1.00 0.00 H new ATOM 0 HG SER A 52 20.016 18.919 -15.858 1.00 0.00 H new ATOM 872 N ARG A 53 22.012 17.061 -13.475 1.00 0.00 N ATOM 873 CA ARG A 53 23.455 17.318 -13.419 1.00 0.00 C ATOM 874 C ARG A 53 24.219 16.059 -13.019 1.00 0.00 C ATOM 875 O ARG A 53 23.992 15.549 -11.924 1.00 0.00 O ATOM 876 CB ARG A 53 23.695 18.502 -12.467 1.00 0.00 C ATOM 877 CG ARG A 53 25.171 18.793 -12.157 1.00 0.00 C ATOM 878 CD ARG A 53 25.261 20.091 -11.347 1.00 0.00 C ATOM 879 NE ARG A 53 26.631 20.379 -10.895 1.00 0.00 N ATOM 880 CZ ARG A 53 26.983 21.436 -10.150 1.00 0.00 C ATOM 881 NH1 ARG A 53 26.082 22.344 -9.783 1.00 0.00 N ATOM 882 NH2 ARG A 53 28.249 21.579 -9.770 1.00 0.00 N ATOM 0 H ARG A 53 21.468 17.635 -12.831 1.00 0.00 H new ATOM 0 HA ARG A 53 23.837 17.587 -14.404 1.00 0.00 H new ATOM 0 HB2 ARG A 53 23.247 19.396 -12.902 1.00 0.00 H new ATOM 0 HB3 ARG A 53 23.173 18.308 -11.530 1.00 0.00 H new ATOM 0 HG2 ARG A 53 25.608 17.967 -11.596 1.00 0.00 H new ATOM 0 HG3 ARG A 53 25.739 18.886 -13.082 1.00 0.00 H new ATOM 0 HD2 ARG A 53 24.901 20.921 -11.955 1.00 0.00 H new ATOM 0 HD3 ARG A 53 24.603 20.021 -10.481 1.00 0.00 H new ATOM 0 HE ARG A 53 27.366 19.727 -11.168 1.00 0.00 H new ATOM 0 HH11 ARG A 53 25.108 22.241 -10.069 1.00 0.00 H new ATOM 0 HH12 ARG A 53 26.365 23.143 -9.216 1.00 0.00 H new ATOM 0 HH21 ARG A 53 28.945 20.887 -10.046 1.00 0.00 H new ATOM 0 HH22 ARG A 53 28.524 22.381 -9.203 1.00 0.00 H new ATOM 896 N LYS A 54 25.144 15.600 -13.869 1.00 0.00 N ATOM 897 CA LYS A 54 25.958 14.388 -13.716 1.00 0.00 C ATOM 898 C LYS A 54 25.151 13.227 -13.118 1.00 0.00 C ATOM 899 O LYS A 54 24.433 12.551 -13.853 1.00 0.00 O ATOM 900 CB LYS A 54 27.266 14.734 -12.972 1.00 0.00 C ATOM 901 CG LYS A 54 28.291 13.588 -13.024 1.00 0.00 C ATOM 902 CD LYS A 54 29.573 13.959 -12.267 1.00 0.00 C ATOM 903 CE LYS A 54 30.580 12.802 -12.338 1.00 0.00 C ATOM 904 NZ LYS A 54 31.845 13.113 -11.625 1.00 0.00 N ATOM 0 H LYS A 54 25.358 16.095 -14.735 1.00 0.00 H new ATOM 0 HA LYS A 54 26.256 14.013 -14.695 1.00 0.00 H new ATOM 0 HB2 LYS A 54 27.704 15.630 -13.411 1.00 0.00 H new ATOM 0 HB3 LYS A 54 27.038 14.967 -11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 54 27.857 12.687 -12.590 1.00 0.00 H new ATOM 0 HG3 LYS A 54 28.531 13.358 -14.062 1.00 0.00 H new ATOM 0 HD2 LYS A 54 30.011 14.860 -12.697 1.00 0.00 H new ATOM 0 HD3 LYS A 54 29.338 14.184 -11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 54 30.133 11.907 -11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 54 30.799 12.577 -13.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 32.494 12.304 -11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 32.287 13.952 -12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 31.641 13.302 -10.623 1.00 0.00 H new ATOM 918 N THR A 55 25.236 13.007 -11.807 1.00 0.00 N ATOM 919 CA THR A 55 24.554 11.985 -11.018 1.00 0.00 C ATOM 920 C THR A 55 23.038 12.252 -10.856 1.00 0.00 C ATOM 921 O THR A 55 22.473 11.996 -9.790 1.00 0.00 O ATOM 922 CB THR A 55 25.322 11.878 -9.674 1.00 0.00 C ATOM 923 OG1 THR A 55 25.836 13.133 -9.243 1.00 0.00 O ATOM 924 CG2 THR A 55 26.534 10.952 -9.829 1.00 0.00 C ATOM 0 H THR A 55 25.835 13.589 -11.221 1.00 0.00 H new ATOM 0 HA THR A 55 24.575 11.024 -11.533 1.00 0.00 H new ATOM 0 HB THR A 55 24.604 11.499 -8.947 1.00 0.00 H new ATOM 0 HG1 THR A 55 25.129 13.810 -9.290 1.00 0.00 H new ATOM 0 HG21 THR A 55 27.065 10.885 -8.879 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.197 9.959 -10.127 1.00 0.00 H new ATOM 0 HG23 THR A 55 27.203 11.353 -10.591 1.00 0.00 H new ATOM 932 N SER A 56 22.366 12.781 -11.888 1.00 0.00 N ATOM 933 CA SER A 56 20.966 13.220 -11.846 1.00 0.00 C ATOM 934 C SER A 56 20.709 14.193 -10.680 1.00 0.00 C ATOM 935 O SER A 56 19.648 14.180 -10.057 1.00 0.00 O ATOM 936 CB SER A 56 20.028 12.001 -11.860 1.00 0.00 C ATOM 937 OG SER A 56 20.347 11.131 -12.938 1.00 0.00 O ATOM 0 H SER A 56 22.796 12.919 -12.803 1.00 0.00 H new ATOM 0 HA SER A 56 20.745 13.795 -12.745 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.110 11.463 -10.916 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.994 12.333 -11.949 1.00 0.00 H new ATOM 0 HG SER A 56 19.740 10.362 -12.928 1.00 0.00 H new ATOM 943 N THR A 57 21.705 15.019 -10.364 1.00 0.00 N ATOM 944 CA THR A 57 21.684 15.970 -9.264 1.00 0.00 C ATOM 945 C THR A 57 20.746 17.130 -9.628 1.00 0.00 C ATOM 946 O THR A 57 20.522 17.418 -10.811 1.00 0.00 O ATOM 947 CB THR A 57 23.125 16.445 -8.962 1.00 0.00 C ATOM 948 OG1 THR A 57 24.078 15.424 -9.217 1.00 0.00 O ATOM 949 CG2 THR A 57 23.303 16.882 -7.505 1.00 0.00 C ATOM 0 H THR A 57 22.579 15.042 -10.889 1.00 0.00 H new ATOM 0 HA THR A 57 21.302 15.505 -8.355 1.00 0.00 H new ATOM 0 HB THR A 57 23.290 17.295 -9.624 1.00 0.00 H new ATOM 0 HG1 THR A 57 24.308 15.422 -10.170 1.00 0.00 H new ATOM 0 HG21 THR A 57 24.331 17.206 -7.345 1.00 0.00 H new ATOM 0 HG22 THR A 57 22.625 17.707 -7.287 1.00 0.00 H new ATOM 0 HG23 THR A 57 23.080 16.044 -6.844 1.00 0.00 H new ATOM 957 N ILE A 58 20.182 17.781 -8.610 1.00 0.00 N ATOM 958 CA ILE A 58 19.281 18.915 -8.769 1.00 0.00 C ATOM 959 C ILE A 58 20.087 20.143 -9.211 1.00 0.00 C ATOM 960 O ILE A 58 21.201 20.382 -8.742 1.00 0.00 O ATOM 961 CB ILE A 58 18.530 19.165 -7.434 1.00 0.00 C ATOM 962 CG1 ILE A 58 17.690 17.943 -6.985 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.641 20.423 -7.469 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.447 17.653 -7.835 1.00 0.00 C ATOM 0 H ILE A 58 20.344 17.528 -7.635 1.00 0.00 H new ATOM 0 HA ILE A 58 18.536 18.708 -9.538 1.00 0.00 H new ATOM 0 HB ILE A 58 19.318 19.330 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.330 17.060 -6.994 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.376 18.099 -5.953 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.143 20.543 -6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.258 21.299 -7.670 1.00 0.00 H new ATOM 0 HG23 ILE A 58 16.893 20.318 -8.255 1.00 0.00 H new ATOM 0 HD11 ILE A 58 15.930 16.780 -7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 58 15.779 18.514 -7.808 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.747 17.459 -8.865 1.00 0.00 H new ATOM 976 N GLU A 59 19.463 20.940 -10.070 1.00 0.00 N ATOM 977 CA GLU A 59 19.852 22.270 -10.501 1.00 0.00 C ATOM 978 C GLU A 59 18.573 23.100 -10.341 1.00 0.00 C ATOM 979 O GLU A 59 17.464 22.558 -10.392 1.00 0.00 O ATOM 980 CB GLU A 59 20.329 22.253 -11.963 1.00 0.00 C ATOM 981 CG GLU A 59 21.773 21.757 -12.116 1.00 0.00 C ATOM 982 CD GLU A 59 22.801 22.776 -11.589 1.00 0.00 C ATOM 983 OE1 GLU A 59 23.027 23.814 -12.252 1.00 0.00 O ATOM 984 OE2 GLU A 59 23.419 22.531 -10.529 1.00 0.00 O ATOM 0 H GLU A 59 18.597 20.643 -10.520 1.00 0.00 H new ATOM 0 HA GLU A 59 20.684 22.675 -9.924 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.667 21.614 -12.548 1.00 0.00 H new ATOM 0 HB3 GLU A 59 20.250 23.258 -12.377 1.00 0.00 H new ATOM 0 HG2 GLU A 59 21.890 20.816 -11.579 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.975 21.552 -13.167 1.00 0.00 H new ATOM 991 N GLU A 60 18.699 24.410 -10.139 1.00 0.00 N ATOM 992 CA GLU A 60 17.571 25.250 -9.752 1.00 0.00 C ATOM 993 C GLU A 60 17.409 26.400 -10.741 1.00 0.00 C ATOM 994 O GLU A 60 18.394 27.028 -11.144 1.00 0.00 O ATOM 995 CB GLU A 60 17.793 25.781 -8.326 1.00 0.00 C ATOM 996 CG GLU A 60 17.766 24.670 -7.268 1.00 0.00 C ATOM 997 CD GLU A 60 17.974 25.238 -5.853 1.00 0.00 C ATOM 998 OE1 GLU A 60 16.986 25.635 -5.197 1.00 0.00 O ATOM 999 OE2 GLU A 60 19.131 25.280 -5.374 1.00 0.00 O ATOM 0 H GLU A 60 19.580 24.915 -10.238 1.00 0.00 H new ATOM 0 HA GLU A 60 16.655 24.659 -9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.752 26.297 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.024 26.517 -8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.812 24.144 -7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.544 23.938 -7.486 1.00 0.00 H new ATOM 1006 N LYS A 61 16.158 26.704 -11.093 1.00 0.00 N ATOM 1007 CA LYS A 61 15.771 27.888 -11.855 1.00 0.00 C ATOM 1008 C LYS A 61 14.454 28.377 -11.260 1.00 0.00 C ATOM 1009 O LYS A 61 13.644 27.557 -10.824 1.00 0.00 O ATOM 1010 CB LYS A 61 15.654 27.500 -13.340 1.00 0.00 C ATOM 1011 CG LYS A 61 15.391 28.696 -14.269 1.00 0.00 C ATOM 1012 CD LYS A 61 15.655 28.359 -15.747 1.00 0.00 C ATOM 1013 CE LYS A 61 14.772 27.215 -16.271 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.098 26.853 -17.675 1.00 0.00 N ATOM 0 H LYS A 61 15.364 26.113 -10.847 1.00 0.00 H new ATOM 0 HA LYS A 61 16.503 28.694 -11.798 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.574 27.004 -13.651 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.847 26.776 -13.455 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.358 29.023 -14.153 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.025 29.531 -13.971 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.484 29.249 -16.353 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.703 28.087 -15.870 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.898 26.340 -15.633 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.724 27.508 -16.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.478 26.078 -17.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.954 27.680 -18.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.090 26.548 -17.733 1.00 0.00 H new ATOM 1028 N THR A 62 14.226 29.684 -11.214 1.00 0.00 N ATOM 1029 CA THR A 62 13.041 30.253 -10.577 1.00 0.00 C ATOM 1030 C THR A 62 12.069 30.639 -11.687 1.00 0.00 C ATOM 1031 O THR A 62 12.463 31.310 -12.644 1.00 0.00 O ATOM 1032 CB THR A 62 13.461 31.434 -9.694 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.533 31.046 -8.851 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.322 31.874 -8.781 1.00 0.00 C ATOM 0 H THR A 62 14.855 30.379 -11.616 1.00 0.00 H new ATOM 0 HA THR A 62 12.540 29.543 -9.919 1.00 0.00 H new ATOM 0 HB THR A 62 13.747 32.248 -10.360 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.904 31.838 -8.408 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.651 32.713 -8.168 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.468 32.179 -9.386 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.032 31.045 -8.136 1.00 0.00 H new ATOM 1042 N VAL A 63 10.810 30.206 -11.589 1.00 0.00 N ATOM 1043 CA VAL A 63 9.869 30.324 -12.690 1.00 0.00 C ATOM 1044 C VAL A 63 8.475 30.695 -12.192 1.00 0.00 C ATOM 1045 O VAL A 63 8.115 30.489 -11.033 1.00 0.00 O ATOM 1046 CB VAL A 63 9.841 29.009 -13.512 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.208 28.633 -14.110 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.334 27.793 -12.721 1.00 0.00 C ATOM 0 H VAL A 63 10.424 29.770 -10.752 1.00 0.00 H new ATOM 0 HA VAL A 63 10.203 31.131 -13.342 1.00 0.00 H new ATOM 0 HB VAL A 63 9.138 29.238 -14.312 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.116 27.704 -14.672 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.545 29.428 -14.776 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.933 28.501 -13.307 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.343 26.912 -13.363 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.982 27.623 -11.861 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.317 27.981 -12.377 1.00 0.00 H new ATOM 1058 N GLU A 64 7.681 31.250 -13.094 1.00 0.00 N ATOM 1059 CA GLU A 64 6.255 31.465 -12.910 1.00 0.00 C ATOM 1060 C GLU A 64 5.597 30.377 -13.750 1.00 0.00 C ATOM 1061 O GLU A 64 5.895 30.278 -14.938 1.00 0.00 O ATOM 1062 CB GLU A 64 5.857 32.876 -13.371 1.00 0.00 C ATOM 1063 CG GLU A 64 4.348 33.114 -13.223 1.00 0.00 C ATOM 1064 CD GLU A 64 3.981 34.586 -13.484 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.816 34.983 -14.660 1.00 0.00 O ATOM 1066 OE2 GLU A 64 3.837 35.361 -12.511 1.00 0.00 O ATOM 0 H GLU A 64 8.021 31.572 -14.000 1.00 0.00 H new ATOM 0 HA GLU A 64 5.945 31.405 -11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.402 33.618 -12.787 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.147 33.015 -14.412 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.808 32.474 -13.920 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.031 32.831 -12.219 1.00 0.00 H new ATOM 1073 N VAL A 65 4.758 29.535 -13.155 1.00 0.00 N ATOM 1074 CA VAL A 65 3.940 28.589 -13.902 1.00 0.00 C ATOM 1075 C VAL A 65 2.717 29.345 -14.414 1.00 0.00 C ATOM 1076 O VAL A 65 2.111 30.127 -13.675 1.00 0.00 O ATOM 1077 CB VAL A 65 3.581 27.309 -13.106 1.00 0.00 C ATOM 1078 CG1 VAL A 65 4.716 26.849 -12.171 1.00 0.00 C ATOM 1079 CG2 VAL A 65 2.257 27.340 -12.331 1.00 0.00 C ATOM 0 H VAL A 65 4.627 29.490 -12.144 1.00 0.00 H new ATOM 0 HA VAL A 65 4.514 28.201 -14.743 1.00 0.00 H new ATOM 0 HB VAL A 65 3.440 26.579 -13.903 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.407 25.949 -11.640 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.608 26.635 -12.760 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.936 27.637 -11.451 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.115 26.391 -11.815 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.281 28.150 -11.602 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.433 27.502 -13.025 1.00 0.00 H new ATOM 1089 N LEU A 66 2.339 29.093 -15.665 1.00 0.00 N ATOM 1090 CA LEU A 66 1.193 29.728 -16.304 1.00 0.00 C ATOM 1091 C LEU A 66 -0.033 28.821 -16.198 1.00 0.00 C ATOM 1092 O LEU A 66 -1.160 29.317 -16.192 1.00 0.00 O ATOM 1093 CB LEU A 66 1.496 30.032 -17.785 1.00 0.00 C ATOM 1094 CG LEU A 66 2.490 31.176 -18.074 1.00 0.00 C ATOM 1095 CD1 LEU A 66 2.036 32.513 -17.475 1.00 0.00 C ATOM 1096 CD2 LEU A 66 3.917 30.873 -17.603 1.00 0.00 C ATOM 0 H LEU A 66 2.828 28.433 -16.270 1.00 0.00 H new ATOM 0 HA LEU A 66 0.989 30.668 -15.792 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.882 29.123 -18.246 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.555 30.267 -18.282 1.00 0.00 H new ATOM 0 HG LEU A 66 2.502 31.259 -19.161 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.771 33.284 -17.707 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.071 32.792 -17.898 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.943 32.414 -16.393 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.564 31.718 -17.837 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.916 30.703 -16.526 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.286 29.982 -18.111 1.00 0.00 H new ATOM 1108 N GLY A 67 0.171 27.505 -16.099 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.878 26.514 -16.053 1.00 0.00 C ATOM 1110 C GLY A 67 -0.295 25.151 -16.385 1.00 0.00 C ATOM 1111 O GLY A 67 0.895 25.021 -16.681 1.00 0.00 O ATOM 0 H GLY A 67 1.105 27.099 -16.048 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.334 26.496 -15.063 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.666 26.768 -16.762 1.00 0.00 H new ATOM 1115 N MET A 68 -1.140 24.130 -16.327 1.00 0.00 N ATOM 1116 CA MET A 68 -0.804 22.800 -16.818 1.00 0.00 C ATOM 1117 C MET A 68 -0.542 22.865 -18.326 1.00 0.00 C ATOM 1118 O MET A 68 -1.149 23.671 -19.040 1.00 0.00 O ATOM 1119 CB MET A 68 -1.956 21.822 -16.532 1.00 0.00 C ATOM 1120 CG MET A 68 -2.156 21.519 -15.041 1.00 0.00 C ATOM 1121 SD MET A 68 -0.952 20.377 -14.305 1.00 0.00 S ATOM 1122 CE MET A 68 -1.543 18.805 -14.992 1.00 0.00 C ATOM 0 H MET A 68 -2.080 24.201 -15.937 1.00 0.00 H new ATOM 0 HA MET A 68 0.091 22.446 -16.307 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.880 22.236 -16.936 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.767 20.888 -17.061 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.123 22.459 -14.490 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.155 21.104 -14.904 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.990 17.980 -14.542 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.605 18.690 -14.777 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.389 18.799 -16.071 1.00 0.00 H new ATOM 1132 N ALA A 69 0.354 22.002 -18.808 1.00 0.00 N ATOM 1133 CA ALA A 69 0.551 21.774 -20.237 1.00 0.00 C ATOM 1134 C ALA A 69 -0.735 21.145 -20.814 1.00 0.00 C ATOM 1135 O ALA A 69 -1.556 20.652 -20.035 1.00 0.00 O ATOM 1136 CB ALA A 69 1.747 20.832 -20.402 1.00 0.00 C ATOM 0 H ALA A 69 0.965 21.441 -18.215 1.00 0.00 H new ATOM 0 HA ALA A 69 0.752 22.703 -20.770 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.918 20.643 -21.462 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.635 21.291 -19.967 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.541 19.890 -19.894 1.00 0.00 H new ATOM 1142 N PRO A 70 -0.937 21.107 -22.144 1.00 0.00 N ATOM 1143 CA PRO A 70 -2.073 20.394 -22.717 1.00 0.00 C ATOM 1144 C PRO A 70 -2.024 18.904 -22.353 1.00 0.00 C ATOM 1145 O PRO A 70 -0.950 18.324 -22.157 1.00 0.00 O ATOM 1146 CB PRO A 70 -2.011 20.643 -24.228 1.00 0.00 C ATOM 1147 CG PRO A 70 -0.550 21.010 -24.481 1.00 0.00 C ATOM 1148 CD PRO A 70 -0.135 21.718 -23.192 1.00 0.00 C ATOM 0 HA PRO A 70 -3.023 20.751 -22.320 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.303 19.757 -24.791 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.683 21.447 -24.528 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.060 20.126 -24.668 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.444 21.661 -25.349 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.930 21.590 -22.998 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.321 22.790 -23.255 1.00 0.00 H new ATOM 1156 N ASP A 71 -3.197 18.267 -22.308 1.00 0.00 N ATOM 1157 CA ASP A 71 -3.337 16.859 -21.934 1.00 0.00 C ATOM 1158 C ASP A 71 -2.524 15.938 -22.847 1.00 0.00 C ATOM 1159 O ASP A 71 -2.054 14.897 -22.394 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.811 16.425 -21.925 1.00 0.00 C ATOM 1161 CG ASP A 71 -5.347 16.059 -23.321 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -5.605 16.980 -24.128 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -5.546 14.857 -23.605 1.00 0.00 O ATOM 0 H ASP A 71 -4.083 18.719 -22.532 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.940 16.766 -20.923 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.926 15.567 -21.263 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.417 17.231 -21.510 1.00 0.00 H new ATOM 1168 N ASP A 72 -2.303 16.343 -24.102 1.00 0.00 N ATOM 1169 CA ASP A 72 -1.529 15.589 -25.086 1.00 0.00 C ATOM 1170 C ASP A 72 -0.063 15.416 -24.673 1.00 0.00 C ATOM 1171 O ASP A 72 0.563 14.412 -25.012 1.00 0.00 O ATOM 1172 CB ASP A 72 -1.607 16.288 -26.447 1.00 0.00 C ATOM 1173 CG ASP A 72 -0.828 15.511 -27.523 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -1.272 14.409 -27.919 1.00 0.00 O ATOM 1175 OD2 ASP A 72 0.201 16.020 -28.019 1.00 0.00 O ATOM 0 H ASP A 72 -2.666 17.223 -24.467 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.965 14.592 -25.149 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.650 16.384 -26.749 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.205 17.298 -26.363 1.00 0.00 H new ATOM 1180 N GLU A 73 0.482 16.368 -23.910 1.00 0.00 N ATOM 1181 CA GLU A 73 1.824 16.256 -23.342 1.00 0.00 C ATOM 1182 C GLU A 73 1.787 15.393 -22.078 1.00 0.00 C ATOM 1183 O GLU A 73 2.742 14.675 -21.786 1.00 0.00 O ATOM 1184 CB GLU A 73 2.378 17.649 -22.988 1.00 0.00 C ATOM 1185 CG GLU A 73 2.692 18.521 -24.212 1.00 0.00 C ATOM 1186 CD GLU A 73 3.906 18.000 -25.005 1.00 0.00 C ATOM 1187 OE1 GLU A 73 5.060 18.312 -24.634 1.00 0.00 O ATOM 1188 OE2 GLU A 73 3.724 17.294 -26.022 1.00 0.00 O ATOM 0 H GLU A 73 0.004 17.236 -23.670 1.00 0.00 H new ATOM 0 HA GLU A 73 2.473 15.791 -24.084 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.654 18.168 -22.360 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.286 17.529 -22.397 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.820 18.553 -24.866 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.885 19.543 -23.887 1.00 0.00 H new ATOM 1195 N CYS A 74 0.676 15.421 -21.340 1.00 0.00 N ATOM 1196 CA CYS A 74 0.557 14.835 -20.011 1.00 0.00 C ATOM 1197 C CYS A 74 0.253 13.328 -20.049 1.00 0.00 C ATOM 1198 O CYS A 74 -0.329 12.782 -19.111 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.475 15.625 -19.197 1.00 0.00 C ATOM 1200 SG CYS A 74 0.030 17.371 -19.089 1.00 0.00 S ATOM 0 H CYS A 74 -0.185 15.864 -21.661 1.00 0.00 H new ATOM 0 HA CYS A 74 1.524 14.912 -19.514 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.456 15.549 -19.665 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.565 15.201 -18.197 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.275 17.980 -20.196 1.00 0.00 H new ATOM 1206 N LEU A 75 0.598 12.653 -21.149 1.00 0.00 N ATOM 1207 CA LEU A 75 0.269 11.252 -21.396 1.00 0.00 C ATOM 1208 C LEU A 75 1.150 10.289 -20.590 1.00 0.00 C ATOM 1209 O LEU A 75 0.769 9.133 -20.411 1.00 0.00 O ATOM 1210 CB LEU A 75 0.418 10.948 -22.905 1.00 0.00 C ATOM 1211 CG LEU A 75 -0.887 10.606 -23.644 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -1.593 9.378 -23.056 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -1.847 11.794 -23.712 1.00 0.00 C ATOM 0 H LEU A 75 1.127 13.079 -21.910 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.760 11.097 -21.073 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.873 11.812 -23.389 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.111 10.115 -23.023 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.589 10.359 -24.663 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.508 9.182 -23.615 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.934 8.512 -23.123 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.840 9.566 -22.011 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.752 11.500 -24.243 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.106 12.111 -22.702 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.368 12.619 -24.240 1.00 0.00 H new ATOM 1225 N LYS A 76 2.333 10.735 -20.143 1.00 0.00 N ATOM 1226 CA LYS A 76 3.362 9.866 -19.551 1.00 0.00 C ATOM 1227 C LYS A 76 3.992 10.439 -18.279 1.00 0.00 C ATOM 1228 O LYS A 76 4.614 9.695 -17.524 1.00 0.00 O ATOM 1229 CB LYS A 76 4.467 9.570 -20.582 1.00 0.00 C ATOM 1230 CG LYS A 76 3.957 8.782 -21.800 1.00 0.00 C ATOM 1231 CD LYS A 76 5.066 8.457 -22.813 1.00 0.00 C ATOM 1232 CE LYS A 76 6.176 7.531 -22.286 1.00 0.00 C ATOM 1233 NZ LYS A 76 5.698 6.155 -21.994 1.00 0.00 N ATOM 0 H LYS A 76 2.605 11.717 -20.182 1.00 0.00 H new ATOM 0 HA LYS A 76 2.851 8.947 -19.264 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.902 10.510 -20.921 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.265 9.006 -20.099 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.500 7.853 -21.459 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.176 9.358 -22.297 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.613 7.994 -23.689 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.520 9.391 -23.145 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.979 7.482 -23.021 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.600 7.962 -21.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.490 5.580 -21.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.951 6.193 -21.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.318 5.728 -22.863 1.00 0.00 H new ATOM 1247 N ASP A 77 3.839 11.737 -18.035 1.00 0.00 N ATOM 1248 CA ASP A 77 4.322 12.480 -16.871 1.00 0.00 C ATOM 1249 C ASP A 77 3.401 13.705 -16.790 1.00 0.00 C ATOM 1250 O ASP A 77 2.677 13.979 -17.753 1.00 0.00 O ATOM 1251 CB ASP A 77 5.797 12.881 -17.072 1.00 0.00 C ATOM 1252 CG ASP A 77 6.556 13.220 -15.777 1.00 0.00 C ATOM 1253 OD1 ASP A 77 6.004 13.894 -14.880 1.00 0.00 O ATOM 1254 OD2 ASP A 77 7.738 12.822 -15.669 1.00 0.00 O ATOM 0 H ASP A 77 3.340 12.341 -18.689 1.00 0.00 H new ATOM 0 HA ASP A 77 4.294 11.899 -15.949 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.315 12.066 -17.577 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.837 13.744 -17.736 1.00 0.00 H new ATOM 1259 N MET A 78 3.384 14.437 -15.682 1.00 0.00 N ATOM 1260 CA MET A 78 2.608 15.670 -15.567 1.00 0.00 C ATOM 1261 C MET A 78 3.517 16.831 -15.963 1.00 0.00 C ATOM 1262 O MET A 78 4.706 16.820 -15.637 1.00 0.00 O ATOM 1263 CB MET A 78 2.091 15.837 -14.131 1.00 0.00 C ATOM 1264 CG MET A 78 1.004 14.822 -13.758 1.00 0.00 C ATOM 1265 SD MET A 78 -0.552 14.957 -14.685 1.00 0.00 S ATOM 1266 CE MET A 78 -0.366 13.556 -15.822 1.00 0.00 C ATOM 0 H MET A 78 3.905 14.195 -14.839 1.00 0.00 H new ATOM 0 HA MET A 78 1.739 15.642 -16.224 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.926 15.737 -13.437 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.695 16.845 -14.009 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.405 13.819 -13.902 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.783 14.928 -12.696 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.291 13.417 -16.382 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.451 13.756 -16.515 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.147 12.652 -15.253 1.00 0.00 H new ATOM 1276 N TYR A 79 2.976 17.859 -16.622 1.00 0.00 N ATOM 1277 CA TYR A 79 3.760 18.978 -17.139 1.00 0.00 C ATOM 1278 C TYR A 79 3.010 20.292 -16.936 1.00 0.00 C ATOM 1279 O TYR A 79 1.779 20.321 -16.867 1.00 0.00 O ATOM 1280 CB TYR A 79 4.045 18.785 -18.638 1.00 0.00 C ATOM 1281 CG TYR A 79 4.931 17.622 -19.035 1.00 0.00 C ATOM 1282 CD1 TYR A 79 4.351 16.369 -19.296 1.00 0.00 C ATOM 1283 CD2 TYR A 79 6.312 17.810 -19.241 1.00 0.00 C ATOM 1284 CE1 TYR A 79 5.138 15.301 -19.755 1.00 0.00 C ATOM 1285 CE2 TYR A 79 7.106 16.747 -19.710 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.524 15.482 -19.960 1.00 0.00 C ATOM 1287 OH TYR A 79 7.301 14.450 -20.397 1.00 0.00 O ATOM 0 H TYR A 79 1.977 17.937 -16.812 1.00 0.00 H new ATOM 0 HA TYR A 79 4.703 19.012 -16.593 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.090 18.671 -19.151 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.502 19.700 -19.015 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.292 16.227 -19.142 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.762 18.771 -19.039 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.684 14.341 -19.951 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.162 16.897 -19.879 1.00 0.00 H new ATOM 0 HH TYR A 79 8.229 14.753 -20.484 1.00 0.00 H new ATOM 1297 N VAL A 80 3.766 21.386 -16.899 1.00 0.00 N ATOM 1298 CA VAL A 80 3.287 22.734 -16.639 1.00 0.00 C ATOM 1299 C VAL A 80 4.028 23.672 -17.582 1.00 0.00 C ATOM 1300 O VAL A 80 5.217 23.484 -17.848 1.00 0.00 O ATOM 1301 CB VAL A 80 3.496 23.122 -15.155 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.363 22.572 -14.280 1.00 0.00 C ATOM 1303 CG2 VAL A 80 4.840 22.655 -14.566 1.00 0.00 C ATOM 0 H VAL A 80 4.773 21.352 -17.057 1.00 0.00 H new ATOM 0 HA VAL A 80 2.214 22.802 -16.820 1.00 0.00 H new ATOM 0 HB VAL A 80 3.497 24.212 -15.148 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.533 22.858 -13.242 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.411 22.981 -14.618 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.339 21.485 -14.357 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.908 22.966 -13.524 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.905 21.569 -14.625 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.659 23.099 -15.132 1.00 0.00 H new ATOM 1313 N GLU A 81 3.323 24.668 -18.107 1.00 0.00 N ATOM 1314 CA GLU A 81 3.936 25.753 -18.857 1.00 0.00 C ATOM 1315 C GLU A 81 4.554 26.705 -17.834 1.00 0.00 C ATOM 1316 O GLU A 81 3.896 27.032 -16.841 1.00 0.00 O ATOM 1317 CB GLU A 81 2.889 26.481 -19.712 1.00 0.00 C ATOM 1318 CG GLU A 81 2.330 25.583 -20.824 1.00 0.00 C ATOM 1319 CD GLU A 81 1.418 26.372 -21.781 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.254 26.666 -21.426 1.00 0.00 O ATOM 1321 OE2 GLU A 81 1.851 26.691 -22.912 1.00 0.00 O ATOM 0 H GLU A 81 2.309 24.744 -18.023 1.00 0.00 H new ATOM 0 HA GLU A 81 4.695 25.371 -19.540 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.072 26.820 -19.075 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.337 27.370 -20.155 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.154 25.142 -21.385 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.769 24.760 -20.381 1.00 0.00 H new ATOM 1328 N VAL A 82 5.789 27.157 -18.055 1.00 0.00 N ATOM 1329 CA VAL A 82 6.530 27.975 -17.097 1.00 0.00 C ATOM 1330 C VAL A 82 7.333 29.054 -17.828 1.00 0.00 C ATOM 1331 O VAL A 82 7.781 28.832 -18.952 1.00 0.00 O ATOM 1332 CB VAL A 82 7.430 27.099 -16.191 1.00 0.00 C ATOM 1333 CG1 VAL A 82 6.665 25.979 -15.468 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.619 26.455 -16.923 1.00 0.00 C ATOM 0 H VAL A 82 6.307 26.963 -18.912 1.00 0.00 H new ATOM 0 HA VAL A 82 5.816 28.476 -16.444 1.00 0.00 H new ATOM 0 HB VAL A 82 7.807 27.817 -15.462 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.357 25.405 -14.851 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.892 26.416 -14.836 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.203 25.321 -16.204 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.199 25.858 -16.219 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.250 25.814 -17.724 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.252 27.235 -17.346 1.00 0.00 H new ATOM 1344 N ALA A 83 7.556 30.204 -17.193 1.00 0.00 N ATOM 1345 CA ALA A 83 8.337 31.313 -17.721 1.00 0.00 C ATOM 1346 C ALA A 83 9.434 31.646 -16.715 1.00 0.00 C ATOM 1347 O ALA A 83 9.196 31.687 -15.507 1.00 0.00 O ATOM 1348 CB ALA A 83 7.433 32.523 -17.976 1.00 0.00 C ATOM 0 H ALA A 83 7.182 30.392 -16.263 1.00 0.00 H new ATOM 0 HA ALA A 83 8.791 31.039 -18.673 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.029 33.346 -18.371 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.661 32.255 -18.698 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.964 32.830 -17.041 1.00 0.00 H new ATOM 1354 N ASP A 84 10.645 31.856 -17.221 1.00 0.00 N ATOM 1355 CA ASP A 84 11.851 32.061 -16.419 1.00 0.00 C ATOM 1356 C ASP A 84 11.937 33.510 -15.937 1.00 0.00 C ATOM 1357 O ASP A 84 12.462 34.382 -16.634 1.00 0.00 O ATOM 1358 CB ASP A 84 13.081 31.640 -17.232 1.00 0.00 C ATOM 1359 CG ASP A 84 14.401 32.124 -16.613 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.635 31.894 -15.408 1.00 0.00 O ATOM 1361 OD2 ASP A 84 15.221 32.691 -17.367 1.00 0.00 O ATOM 0 H ASP A 84 10.822 31.890 -18.225 1.00 0.00 H new ATOM 0 HA ASP A 84 11.811 31.438 -15.526 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.101 30.553 -17.314 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.994 32.035 -18.244 1.00 0.00 H new ATOM 1366 N ILE A 85 11.361 33.758 -14.758 1.00 0.00 N ATOM 1367 CA ILE A 85 11.340 35.052 -14.077 1.00 0.00 C ATOM 1368 C ILE A 85 12.750 35.661 -14.070 1.00 0.00 C ATOM 1369 O ILE A 85 13.707 35.029 -13.616 1.00 0.00 O ATOM 1370 CB ILE A 85 10.801 34.904 -12.630 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.398 34.259 -12.569 1.00 0.00 C ATOM 1372 CG2 ILE A 85 10.763 36.270 -11.913 1.00 0.00 C ATOM 1373 CD1 ILE A 85 8.961 33.895 -11.141 1.00 0.00 C ATOM 0 H ILE A 85 10.877 33.031 -14.231 1.00 0.00 H new ATOM 0 HA ILE A 85 10.670 35.721 -14.617 1.00 0.00 H new ATOM 0 HB ILE A 85 11.495 34.235 -12.121 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.670 34.946 -13.001 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.392 33.359 -13.185 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.381 36.139 -10.900 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.769 36.687 -11.870 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.111 36.951 -12.461 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.968 33.447 -11.168 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.669 33.184 -10.714 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.936 34.796 -10.527 1.00 0.00 H new ATOM 1385 N GLY A 86 12.861 36.914 -14.517 1.00 0.00 N ATOM 1386 CA GLY A 86 14.069 37.719 -14.384 1.00 0.00 C ATOM 1387 C GLY A 86 15.254 37.240 -15.228 1.00 0.00 C ATOM 1388 O GLY A 86 16.370 37.717 -15.008 1.00 0.00 O ATOM 0 H GLY A 86 12.100 37.402 -14.989 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.836 38.747 -14.660 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.368 37.730 -13.336 1.00 0.00 H new ATOM 1392 N GLY A 87 15.041 36.331 -16.184 1.00 0.00 N ATOM 1393 CA GLY A 87 16.063 35.881 -17.120 1.00 0.00 C ATOM 1394 C GLY A 87 15.510 36.028 -18.527 1.00 0.00 C ATOM 1395 O GLY A 87 15.615 37.110 -19.109 1.00 0.00 O ATOM 0 H GLY A 87 14.136 35.882 -16.328 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.972 36.472 -17.004 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.330 34.843 -16.922 1.00 0.00 H new ATOM 1399 N LYS A 88 14.866 34.982 -19.058 1.00 0.00 N ATOM 1400 CA LYS A 88 14.115 35.098 -20.312 1.00 0.00 C ATOM 1401 C LYS A 88 12.964 36.086 -20.120 1.00 0.00 C ATOM 1402 O LYS A 88 12.764 36.949 -20.971 1.00 0.00 O ATOM 1403 CB LYS A 88 13.595 33.730 -20.787 1.00 0.00 C ATOM 1404 CG LYS A 88 14.691 32.673 -21.015 1.00 0.00 C ATOM 1405 CD LYS A 88 15.693 33.060 -22.113 1.00 0.00 C ATOM 1406 CE LYS A 88 16.648 31.888 -22.383 1.00 0.00 C ATOM 1407 NZ LYS A 88 17.642 32.205 -23.440 1.00 0.00 N ATOM 0 H LYS A 88 14.850 34.051 -18.641 1.00 0.00 H new ATOM 0 HA LYS A 88 14.783 35.470 -21.088 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.888 33.349 -20.050 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.043 33.868 -21.717 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.230 32.512 -20.081 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.222 31.725 -21.279 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.161 33.325 -23.027 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.260 33.940 -21.807 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.170 31.628 -21.462 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.071 31.013 -22.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.265 31.385 -23.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.147 32.428 -24.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.212 33.024 -23.146 1.00 0.00 H new ATOM 1421 N ASP A 89 12.266 35.979 -18.983 1.00 0.00 N ATOM 1422 CA ASP A 89 11.252 36.868 -18.396 1.00 0.00 C ATOM 1423 C ASP A 89 10.010 37.200 -19.240 1.00 0.00 C ATOM 1424 O ASP A 89 8.994 37.619 -18.686 1.00 0.00 O ATOM 1425 CB ASP A 89 11.928 38.141 -17.870 1.00 0.00 C ATOM 1426 CG ASP A 89 11.014 38.910 -16.904 1.00 0.00 C ATOM 1427 OD1 ASP A 89 10.747 38.386 -15.799 1.00 0.00 O ATOM 1428 OD2 ASP A 89 10.617 40.056 -17.217 1.00 0.00 O ATOM 0 H ASP A 89 12.416 35.171 -18.379 1.00 0.00 H new ATOM 0 HA ASP A 89 10.821 36.278 -17.587 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.856 37.877 -17.362 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.196 38.784 -18.708 1.00 0.00 H new ATOM 1433 N ASP A 90 10.046 36.985 -20.555 1.00 0.00 N ATOM 1434 CA ASP A 90 9.031 37.423 -21.519 1.00 0.00 C ATOM 1435 C ASP A 90 8.791 36.343 -22.587 1.00 0.00 C ATOM 1436 O ASP A 90 8.250 36.606 -23.661 1.00 0.00 O ATOM 1437 CB ASP A 90 9.488 38.754 -22.137 1.00 0.00 C ATOM 1438 CG ASP A 90 8.413 39.407 -23.026 1.00 0.00 C ATOM 1439 OD1 ASP A 90 7.263 39.594 -22.567 1.00 0.00 O ATOM 1440 OD2 ASP A 90 8.729 39.805 -24.171 1.00 0.00 O ATOM 0 H ASP A 90 10.814 36.480 -20.998 1.00 0.00 H new ATOM 0 HA ASP A 90 8.077 37.578 -21.016 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.759 39.444 -21.338 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.387 38.583 -22.730 1.00 0.00 H new ATOM 1445 N ASP A 91 9.200 35.105 -22.295 1.00 0.00 N ATOM 1446 CA ASP A 91 8.939 33.920 -23.111 1.00 0.00 C ATOM 1447 C ASP A 91 8.659 32.742 -22.175 1.00 0.00 C ATOM 1448 O ASP A 91 8.997 32.798 -20.988 1.00 0.00 O ATOM 1449 CB ASP A 91 10.118 33.635 -24.056 1.00 0.00 C ATOM 1450 CG ASP A 91 9.797 32.557 -25.112 1.00 0.00 C ATOM 1451 OD1 ASP A 91 8.607 32.319 -25.418 1.00 0.00 O ATOM 1452 OD2 ASP A 91 10.747 31.977 -25.683 1.00 0.00 O ATOM 0 H ASP A 91 9.740 34.895 -21.455 1.00 0.00 H new ATOM 0 HA ASP A 91 8.068 34.085 -23.745 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.402 34.558 -24.562 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.978 33.315 -23.468 1.00 0.00 H new ATOM 1457 N VAL A 92 8.045 31.682 -22.697 1.00 0.00 N ATOM 1458 CA VAL A 92 7.504 30.575 -21.922 1.00 0.00 C ATOM 1459 C VAL A 92 7.952 29.237 -22.526 1.00 0.00 C ATOM 1460 O VAL A 92 8.239 29.125 -23.722 1.00 0.00 O ATOM 1461 CB VAL A 92 5.967 30.764 -21.857 1.00 0.00 C ATOM 1462 CG1 VAL A 92 5.275 30.643 -23.225 1.00 0.00 C ATOM 1463 CG2 VAL A 92 5.267 29.835 -20.858 1.00 0.00 C ATOM 0 H VAL A 92 7.908 31.570 -23.701 1.00 0.00 H new ATOM 0 HA VAL A 92 7.883 30.563 -20.900 1.00 0.00 H new ATOM 0 HB VAL A 92 5.859 31.789 -21.501 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.201 30.786 -23.104 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.668 31.403 -23.900 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.464 29.654 -23.642 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.194 30.028 -20.871 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.452 28.797 -21.135 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.656 30.018 -19.856 1.00 0.00 H new ATOM 1473 N TYR A 93 8.012 28.231 -21.659 1.00 0.00 N ATOM 1474 CA TYR A 93 8.572 26.906 -21.873 1.00 0.00 C ATOM 1475 C TYR A 93 7.665 25.895 -21.155 1.00 0.00 C ATOM 1476 O TYR A 93 6.613 26.266 -20.632 1.00 0.00 O ATOM 1477 CB TYR A 93 10.009 26.883 -21.311 1.00 0.00 C ATOM 1478 CG TYR A 93 10.947 27.898 -21.946 1.00 0.00 C ATOM 1479 CD1 TYR A 93 11.025 29.210 -21.436 1.00 0.00 C ATOM 1480 CD2 TYR A 93 11.716 27.539 -23.071 1.00 0.00 C ATOM 1481 CE1 TYR A 93 11.835 30.171 -22.066 1.00 0.00 C ATOM 1482 CE2 TYR A 93 12.549 28.486 -23.690 1.00 0.00 C ATOM 1483 CZ TYR A 93 12.605 29.810 -23.198 1.00 0.00 C ATOM 1484 OH TYR A 93 13.404 30.721 -23.824 1.00 0.00 O ATOM 0 H TYR A 93 7.640 28.332 -20.715 1.00 0.00 H new ATOM 0 HA TYR A 93 8.620 26.649 -22.931 1.00 0.00 H new ATOM 0 HB2 TYR A 93 9.969 27.065 -20.237 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.425 25.885 -21.450 1.00 0.00 H new ATOM 0 HD1 TYR A 93 10.459 29.478 -20.556 1.00 0.00 H new ATOM 0 HD2 TYR A 93 11.665 26.532 -23.459 1.00 0.00 H new ATOM 0 HE1 TYR A 93 11.870 31.182 -21.687 1.00 0.00 H new ATOM 0 HE2 TYR A 93 13.147 28.202 -24.543 1.00 0.00 H new ATOM 0 HH TYR A 93 13.857 30.293 -24.580 1.00 0.00 H new ATOM 1494 N THR A 94 8.075 24.629 -21.097 1.00 0.00 N ATOM 1495 CA THR A 94 7.351 23.574 -20.392 1.00 0.00 C ATOM 1496 C THR A 94 8.339 22.847 -19.478 1.00 0.00 C ATOM 1497 O THR A 94 9.486 22.608 -19.865 1.00 0.00 O ATOM 1498 CB THR A 94 6.664 22.631 -21.403 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.039 23.358 -22.449 1.00 0.00 O ATOM 1500 CG2 THR A 94 5.583 21.771 -20.741 1.00 0.00 C ATOM 0 H THR A 94 8.932 24.303 -21.545 1.00 0.00 H new ATOM 0 HA THR A 94 6.555 23.990 -19.775 1.00 0.00 H new ATOM 0 HB THR A 94 7.457 21.996 -21.799 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.615 22.733 -23.073 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.126 21.123 -21.488 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.033 21.161 -19.958 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.821 22.417 -20.305 1.00 0.00 H new ATOM 1508 N ALA A 95 7.881 22.493 -18.277 1.00 0.00 N ATOM 1509 CA ALA A 95 8.629 21.751 -17.275 1.00 0.00 C ATOM 1510 C ALA A 95 7.774 20.575 -16.816 1.00 0.00 C ATOM 1511 O ALA A 95 6.543 20.643 -16.854 1.00 0.00 O ATOM 1512 CB ALA A 95 8.955 22.672 -16.093 1.00 0.00 C ATOM 0 H ALA A 95 6.938 22.728 -17.968 1.00 0.00 H new ATOM 0 HA ALA A 95 9.567 21.382 -17.691 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.516 22.116 -15.342 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.553 23.514 -16.442 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.029 23.042 -15.654 1.00 0.00 H new ATOM 1518 N LYS A 96 8.414 19.497 -16.362 1.00 0.00 N ATOM 1519 CA LYS A 96 7.713 18.411 -15.704 1.00 0.00 C ATOM 1520 C LYS A 96 7.291 18.912 -14.335 1.00 0.00 C ATOM 1521 O LYS A 96 8.092 19.519 -13.621 1.00 0.00 O ATOM 1522 CB LYS A 96 8.645 17.205 -15.540 1.00 0.00 C ATOM 1523 CG LYS A 96 8.915 16.481 -16.865 1.00 0.00 C ATOM 1524 CD LYS A 96 10.081 15.495 -16.719 1.00 0.00 C ATOM 1525 CE LYS A 96 11.431 16.218 -16.849 1.00 0.00 C ATOM 1526 NZ LYS A 96 12.512 15.521 -16.117 1.00 0.00 N ATOM 0 H LYS A 96 9.421 19.359 -16.442 1.00 0.00 H new ATOM 0 HA LYS A 96 6.850 18.101 -16.293 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.591 17.538 -15.113 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.204 16.504 -14.831 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.019 15.947 -17.182 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.144 17.210 -17.643 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.022 14.997 -15.751 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.004 14.720 -17.481 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.700 16.296 -17.903 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.334 17.235 -16.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.428 15.744 -16.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.517 15.834 -15.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.351 14.494 -16.155 1.00 0.00 H new ATOM 1540 N LEU A 97 6.071 18.588 -13.922 1.00 0.00 N ATOM 1541 CA LEU A 97 5.645 18.808 -12.544 1.00 0.00 C ATOM 1542 C LEU A 97 6.513 17.948 -11.612 1.00 0.00 C ATOM 1543 O LEU A 97 6.777 18.337 -10.479 1.00 0.00 O ATOM 1544 CB LEU A 97 4.154 18.481 -12.384 1.00 0.00 C ATOM 1545 CG LEU A 97 3.559 18.960 -11.043 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.584 20.490 -10.922 1.00 0.00 C ATOM 1547 CD2 LEU A 97 2.111 18.478 -10.936 1.00 0.00 C ATOM 0 H LEU A 97 5.359 18.172 -14.522 1.00 0.00 H new ATOM 0 HA LEU A 97 5.775 19.857 -12.278 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.600 18.940 -13.203 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.015 17.403 -12.470 1.00 0.00 H new ATOM 0 HG LEU A 97 4.167 18.545 -10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.157 20.786 -9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.613 20.843 -10.985 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.000 20.929 -11.731 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.685 18.813 -9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.529 18.888 -11.762 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.086 17.389 -10.979 1.00 0.00 H new ATOM 1559 N SER A 98 7.031 16.826 -12.129 1.00 0.00 N ATOM 1560 CA SER A 98 8.006 15.953 -11.477 1.00 0.00 C ATOM 1561 C SER A 98 9.367 16.627 -11.221 1.00 0.00 C ATOM 1562 O SER A 98 10.260 15.999 -10.648 1.00 0.00 O ATOM 1563 CB SER A 98 8.170 14.698 -12.346 1.00 0.00 C ATOM 1564 OG SER A 98 6.915 14.063 -12.469 1.00 0.00 O ATOM 0 H SER A 98 6.767 16.490 -13.055 1.00 0.00 H new ATOM 0 HA SER A 98 7.627 15.699 -10.487 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.555 14.968 -13.330 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.894 14.019 -11.896 1.00 0.00 H new ATOM 0 HG SER A 98 6.495 14.329 -13.314 1.00 0.00 H new ATOM 1570 N ASP A 99 9.545 17.887 -11.627 1.00 0.00 N ATOM 1571 CA ASP A 99 10.763 18.667 -11.425 1.00 0.00 C ATOM 1572 C ASP A 99 10.419 20.068 -10.902 1.00 0.00 C ATOM 1573 O ASP A 99 11.292 20.925 -10.834 1.00 0.00 O ATOM 1574 CB ASP A 99 11.575 18.721 -12.734 1.00 0.00 C ATOM 1575 CG ASP A 99 12.370 17.437 -12.953 1.00 0.00 C ATOM 1576 OD1 ASP A 99 13.482 17.315 -12.399 1.00 0.00 O ATOM 1577 OD2 ASP A 99 11.880 16.509 -13.633 1.00 0.00 O ATOM 0 H ASP A 99 8.820 18.407 -12.121 1.00 0.00 H new ATOM 0 HA ASP A 99 11.383 18.184 -10.670 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.901 18.880 -13.575 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.256 19.571 -12.706 1.00 0.00 H new ATOM 1582 N ILE A 100 9.172 20.326 -10.499 1.00 0.00 N ATOM 1583 CA ILE A 100 8.724 21.624 -9.996 1.00 0.00 C ATOM 1584 C ILE A 100 8.358 21.474 -8.526 1.00 0.00 C ATOM 1585 O ILE A 100 7.869 20.436 -8.076 1.00 0.00 O ATOM 1586 CB ILE A 100 7.568 22.159 -10.882 1.00 0.00 C ATOM 1587 CG1 ILE A 100 8.163 22.861 -12.120 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.530 23.061 -10.180 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.509 24.344 -11.964 1.00 0.00 C ATOM 0 H ILE A 100 8.432 19.624 -10.514 1.00 0.00 H new ATOM 0 HA ILE A 100 9.515 22.371 -10.055 1.00 0.00 H new ATOM 0 HB ILE A 100 6.988 21.280 -11.164 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.068 22.328 -12.412 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.455 22.761 -12.942 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.773 23.372 -10.900 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.055 22.507 -9.370 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.028 23.941 -9.774 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.918 24.723 -12.901 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.609 24.903 -11.709 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.247 24.464 -11.171 1.00 0.00 H new ATOM 1601 N GLU A 101 8.569 22.563 -7.798 1.00 0.00 N ATOM 1602 CA GLU A 101 8.158 22.732 -6.416 1.00 0.00 C ATOM 1603 C GLU A 101 7.524 24.119 -6.326 1.00 0.00 C ATOM 1604 O GLU A 101 8.186 25.126 -6.586 1.00 0.00 O ATOM 1605 CB GLU A 101 9.377 22.560 -5.499 1.00 0.00 C ATOM 1606 CG GLU A 101 8.989 22.564 -4.015 1.00 0.00 C ATOM 1607 CD GLU A 101 10.221 22.382 -3.111 1.00 0.00 C ATOM 1608 OE1 GLU A 101 10.849 21.299 -3.141 1.00 0.00 O ATOM 1609 OE2 GLU A 101 10.567 23.316 -2.354 1.00 0.00 O ATOM 0 H GLU A 101 9.049 23.382 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 101 7.432 21.987 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.881 21.624 -5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.089 23.363 -5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.492 23.503 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.273 21.765 -3.822 1.00 0.00 H new ATOM 1616 N ALA A 102 6.222 24.179 -6.038 1.00 0.00 N ATOM 1617 CA ALA A 102 5.495 25.439 -6.009 1.00 0.00 C ATOM 1618 C ALA A 102 5.888 26.265 -4.786 1.00 0.00 C ATOM 1619 O ALA A 102 6.264 25.727 -3.741 1.00 0.00 O ATOM 1620 CB ALA A 102 3.991 25.178 -5.996 1.00 0.00 C ATOM 0 H ALA A 102 5.652 23.362 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 102 5.754 26.002 -6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.457 26.128 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.710 24.624 -6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.730 24.595 -5.113 1.00 0.00 H new ATOM 1626 N ILE A 103 5.729 27.579 -4.919 1.00 0.00 N ATOM 1627 CA ILE A 103 6.034 28.567 -3.893 1.00 0.00 C ATOM 1628 C ILE A 103 4.741 29.344 -3.605 1.00 0.00 C ATOM 1629 O ILE A 103 4.066 29.808 -4.524 1.00 0.00 O ATOM 1630 CB ILE A 103 7.201 29.465 -4.379 1.00 0.00 C ATOM 1631 CG1 ILE A 103 8.503 28.648 -4.579 1.00 0.00 C ATOM 1632 CG2 ILE A 103 7.472 30.619 -3.398 1.00 0.00 C ATOM 1633 CD1 ILE A 103 9.600 29.408 -5.336 1.00 0.00 C ATOM 0 H ILE A 103 5.371 27.999 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 103 6.369 28.111 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 103 6.893 29.881 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 103 8.887 28.350 -3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.267 27.733 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 103 8.296 31.227 -3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.578 31.236 -3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.734 30.212 -2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.480 28.772 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.235 29.683 -6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 103 9.865 30.309 -4.784 1.00 0.00 H new ATOM 1645 N ASP A 104 4.436 29.507 -2.312 1.00 0.00 N ATOM 1646 CA ASP A 104 3.334 30.321 -1.781 1.00 0.00 C ATOM 1647 C ASP A 104 1.968 30.022 -2.429 1.00 0.00 C ATOM 1648 O ASP A 104 1.172 30.924 -2.701 1.00 0.00 O ATOM 1649 CB ASP A 104 3.726 31.809 -1.804 1.00 0.00 C ATOM 1650 CG ASP A 104 2.727 32.702 -1.044 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.339 32.362 0.097 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.372 33.790 -1.553 1.00 0.00 O ATOM 0 H ASP A 104 4.975 29.055 -1.573 1.00 0.00 H new ATOM 0 HA ASP A 104 3.179 30.035 -0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 104 4.717 31.926 -1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 104 3.794 32.146 -2.838 1.00 0.00 H new ATOM 1657 N VAL A 105 1.699 28.743 -2.703 1.00 0.00 N ATOM 1658 CA VAL A 105 0.404 28.281 -3.207 1.00 0.00 C ATOM 1659 C VAL A 105 -0.547 27.937 -2.055 1.00 0.00 C ATOM 1660 O VAL A 105 -0.162 27.960 -0.880 1.00 0.00 O ATOM 1661 CB VAL A 105 0.585 27.091 -4.169 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.225 27.572 -5.469 1.00 0.00 C ATOM 1663 CG2 VAL A 105 1.357 25.904 -3.569 1.00 0.00 C ATOM 0 H VAL A 105 2.380 27.993 -2.580 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.052 29.095 -3.770 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.412 26.700 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.351 26.728 -6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.583 28.319 -5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.198 28.013 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.439 25.111 -4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.355 26.230 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.825 25.529 -2.695 1.00 0.00 H new ATOM 1673 N ASP A 106 -1.797 27.612 -2.398 1.00 0.00 N ATOM 1674 CA ASP A 106 -2.761 27.068 -1.448 1.00 0.00 C ATOM 1675 C ASP A 106 -2.334 25.667 -1.010 1.00 0.00 C ATOM 1676 O ASP A 106 -1.559 24.981 -1.683 1.00 0.00 O ATOM 1677 CB ASP A 106 -4.162 26.995 -2.065 1.00 0.00 C ATOM 1678 CG ASP A 106 -5.251 26.727 -1.017 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -5.672 27.679 -0.322 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -5.657 25.555 -0.865 1.00 0.00 O ATOM 0 H ASP A 106 -2.165 27.720 -3.343 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.790 27.733 -0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.379 27.932 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.184 26.206 -2.817 1.00 0.00 H new ATOM 1685 N ASP A 107 -2.912 25.221 0.096 1.00 0.00 N ATOM 1686 CA ASP A 107 -2.679 23.906 0.680 1.00 0.00 C ATOM 1687 C ASP A 107 -3.107 22.802 -0.279 1.00 0.00 C ATOM 1688 O ASP A 107 -2.400 21.808 -0.404 1.00 0.00 O ATOM 1689 CB ASP A 107 -3.449 23.784 1.998 1.00 0.00 C ATOM 1690 CG ASP A 107 -3.287 22.385 2.613 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -2.210 22.094 3.181 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -4.257 21.595 2.590 1.00 0.00 O ATOM 0 H ASP A 107 -3.577 25.781 0.629 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.612 23.795 0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.091 24.536 2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -4.506 23.987 1.824 1.00 0.00 H new ATOM 1697 N ASP A 108 -4.216 22.977 -1.003 1.00 0.00 N ATOM 1698 CA ASP A 108 -4.730 21.935 -1.891 1.00 0.00 C ATOM 1699 C ASP A 108 -3.847 21.793 -3.137 1.00 0.00 C ATOM 1700 O ASP A 108 -3.666 20.692 -3.657 1.00 0.00 O ATOM 1701 CB ASP A 108 -6.186 22.256 -2.264 1.00 0.00 C ATOM 1702 CG ASP A 108 -6.998 21.036 -2.740 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -6.665 19.878 -2.401 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -8.054 21.249 -3.377 1.00 0.00 O ATOM 0 H ASP A 108 -4.774 23.831 -0.990 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.707 20.976 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.683 22.694 -1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.190 23.011 -3.050 1.00 0.00 H new ATOM 1709 N THR A 109 -3.228 22.896 -3.581 1.00 0.00 N ATOM 1710 CA THR A 109 -2.245 22.885 -4.661 1.00 0.00 C ATOM 1711 C THR A 109 -0.983 22.179 -4.157 1.00 0.00 C ATOM 1712 O THR A 109 -0.476 21.283 -4.834 1.00 0.00 O ATOM 1713 CB THR A 109 -1.984 24.342 -5.081 1.00 0.00 C ATOM 1714 OG1 THR A 109 -3.197 24.913 -5.525 1.00 0.00 O ATOM 1715 CG2 THR A 109 -0.986 24.534 -6.224 1.00 0.00 C ATOM 0 H THR A 109 -3.400 23.824 -3.195 1.00 0.00 H new ATOM 0 HA THR A 109 -2.598 22.342 -5.537 1.00 0.00 H new ATOM 0 HB THR A 109 -1.561 24.812 -4.193 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.419 25.686 -4.965 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.878 25.597 -6.438 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.019 24.122 -5.936 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.349 24.020 -7.114 1.00 0.00 H new ATOM 1723 N GLN A 110 -0.504 22.529 -2.956 1.00 0.00 N ATOM 1724 CA GLN A 110 0.685 21.916 -2.383 1.00 0.00 C ATOM 1725 C GLN A 110 0.464 20.407 -2.219 1.00 0.00 C ATOM 1726 O GLN A 110 1.325 19.625 -2.609 1.00 0.00 O ATOM 1727 CB GLN A 110 1.048 22.608 -1.054 1.00 0.00 C ATOM 1728 CG GLN A 110 2.554 22.567 -0.741 1.00 0.00 C ATOM 1729 CD GLN A 110 3.104 21.150 -0.561 1.00 0.00 C ATOM 1730 OE1 GLN A 110 2.764 20.449 0.388 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.959 20.695 -1.466 1.00 0.00 N ATOM 0 H GLN A 110 -0.932 23.241 -2.364 1.00 0.00 H new ATOM 0 HA GLN A 110 1.533 22.049 -3.055 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.719 23.647 -1.091 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.501 22.129 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.098 23.059 -1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.744 23.139 0.167 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.234 21.286 -2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.342 19.754 -1.378 1.00 0.00 H new ATOM 1740 N GLU A 111 -0.695 19.982 -1.710 1.00 0.00 N ATOM 1741 CA GLU A 111 -1.008 18.572 -1.526 1.00 0.00 C ATOM 1742 C GLU A 111 -1.034 17.831 -2.854 1.00 0.00 C ATOM 1743 O GLU A 111 -0.485 16.737 -2.926 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.349 18.399 -0.799 1.00 0.00 C ATOM 1745 CG GLU A 111 -2.211 18.614 0.713 1.00 0.00 C ATOM 1746 CD GLU A 111 -1.339 17.548 1.411 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -1.425 16.345 1.070 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -0.571 17.904 2.334 1.00 0.00 O ATOM 0 H GLU A 111 -1.441 20.611 -1.415 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.218 18.141 -0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.074 19.106 -1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.739 17.399 -0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.781 19.599 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.203 18.612 1.164 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.611 18.410 -3.910 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.624 17.773 -5.222 1.00 0.00 C ATOM 1757 C ALA A 112 -0.198 17.546 -5.739 1.00 0.00 C ATOM 1758 O ALA A 112 0.104 16.480 -6.277 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.428 18.632 -6.199 1.00 0.00 C ATOM 0 H ALA A 112 -2.074 19.318 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.099 16.796 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.438 18.156 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.451 18.736 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.970 19.618 -6.279 1.00 0.00 H new ATOM 1765 N ILE A 113 0.681 18.535 -5.558 1.00 0.00 N ATOM 1766 CA ILE A 113 2.077 18.453 -5.977 1.00 0.00 C ATOM 1767 C ILE A 113 2.792 17.394 -5.139 1.00 0.00 C ATOM 1768 O ILE A 113 3.411 16.494 -5.700 1.00 0.00 O ATOM 1769 CB ILE A 113 2.733 19.842 -5.849 1.00 0.00 C ATOM 1770 CG1 ILE A 113 2.101 20.807 -6.871 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.261 19.784 -6.038 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.288 22.265 -6.466 1.00 0.00 C ATOM 0 H ILE A 113 0.439 19.420 -5.113 1.00 0.00 H new ATOM 0 HA ILE A 113 2.148 18.152 -7.022 1.00 0.00 H new ATOM 0 HB ILE A 113 2.551 20.206 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.548 20.642 -7.851 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.037 20.590 -6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.678 20.786 -5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.697 19.133 -5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.490 19.392 -7.029 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.828 22.912 -7.213 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.818 22.437 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.352 22.490 -6.397 1.00 0.00 H new ATOM 1784 N ALA A 114 2.700 17.481 -3.811 1.00 0.00 N ATOM 1785 CA ALA A 114 3.344 16.541 -2.904 1.00 0.00 C ATOM 1786 C ALA A 114 2.898 15.112 -3.210 1.00 0.00 C ATOM 1787 O ALA A 114 3.729 14.216 -3.305 1.00 0.00 O ATOM 1788 CB ALA A 114 3.014 16.908 -1.453 1.00 0.00 C ATOM 0 H ALA A 114 2.172 18.212 -3.335 1.00 0.00 H new ATOM 0 HA ALA A 114 4.423 16.598 -3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.499 16.201 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.373 17.915 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.935 16.869 -1.304 1.00 0.00 H new ATOM 1794 N ASP A 115 1.598 14.907 -3.418 1.00 0.00 N ATOM 1795 CA ASP A 115 1.024 13.592 -3.690 1.00 0.00 C ATOM 1796 C ASP A 115 1.526 13.014 -5.014 1.00 0.00 C ATOM 1797 O ASP A 115 1.805 11.818 -5.112 1.00 0.00 O ATOM 1798 CB ASP A 115 -0.505 13.673 -3.685 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.128 12.280 -3.572 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -0.972 11.670 -2.491 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -1.835 11.849 -4.505 1.00 0.00 O ATOM 0 H ASP A 115 0.908 15.658 -3.402 1.00 0.00 H new ATOM 0 HA ASP A 115 1.349 12.918 -2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.837 14.292 -2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.850 14.156 -4.599 1.00 0.00 H new ATOM 1806 N TRP A 116 1.711 13.874 -6.020 1.00 0.00 N ATOM 1807 CA TRP A 116 2.315 13.487 -7.288 1.00 0.00 C ATOM 1808 C TRP A 116 3.801 13.159 -7.103 1.00 0.00 C ATOM 1809 O TRP A 116 4.291 12.182 -7.667 1.00 0.00 O ATOM 1810 CB TRP A 116 2.125 14.599 -8.328 1.00 0.00 C ATOM 1811 CG TRP A 116 2.833 14.338 -9.620 1.00 0.00 C ATOM 1812 CD1 TRP A 116 3.965 14.950 -10.036 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.542 13.316 -10.623 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.389 14.380 -11.218 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.535 13.387 -11.641 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.566 12.308 -10.759 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.531 12.532 -12.751 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.547 11.446 -11.872 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.528 11.557 -12.872 1.00 0.00 C ATOM 0 H TRP A 116 1.444 14.857 -5.973 1.00 0.00 H new ATOM 0 HA TRP A 116 1.816 12.588 -7.651 1.00 0.00 H new ATOM 0 HB2 TRP A 116 1.060 14.722 -8.525 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.483 15.540 -7.911 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.461 15.760 -9.522 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.233 14.660 -11.718 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.815 12.194 -9.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.295 12.622 -13.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.775 10.696 -11.958 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.511 10.897 -13.727 1.00 0.00 H new ATOM 1830 N LEU A 117 4.530 13.939 -6.300 1.00 0.00 N ATOM 1831 CA LEU A 117 5.938 13.680 -6.019 1.00 0.00 C ATOM 1832 C LEU A 117 6.106 12.387 -5.213 1.00 0.00 C ATOM 1833 O LEU A 117 7.106 11.695 -5.400 1.00 0.00 O ATOM 1834 CB LEU A 117 6.588 14.877 -5.306 1.00 0.00 C ATOM 1835 CG LEU A 117 6.737 16.133 -6.193 1.00 0.00 C ATOM 1836 CD1 LEU A 117 7.200 17.314 -5.334 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.718 15.929 -7.356 1.00 0.00 C ATOM 0 H LEU A 117 4.159 14.764 -5.829 1.00 0.00 H new ATOM 0 HA LEU A 117 6.454 13.546 -6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.992 15.132 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.573 14.581 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 117 5.759 16.336 -6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.305 18.200 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.464 17.507 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.161 17.077 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.781 16.845 -7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.704 15.682 -6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.367 15.115 -7.990 1.00 0.00 H new ATOM 1849 N TYR A 118 5.138 12.011 -4.369 1.00 0.00 N ATOM 1850 CA TYR A 118 5.132 10.697 -3.739 1.00 0.00 C ATOM 1851 C TYR A 118 4.973 9.637 -4.823 1.00 0.00 C ATOM 1852 O TYR A 118 5.818 8.756 -4.913 1.00 0.00 O ATOM 1853 CB TYR A 118 4.032 10.559 -2.671 1.00 0.00 C ATOM 1854 CG TYR A 118 4.025 11.584 -1.545 1.00 0.00 C ATOM 1855 CD1 TYR A 118 5.216 12.174 -1.070 1.00 0.00 C ATOM 1856 CD2 TYR A 118 2.793 11.957 -0.974 1.00 0.00 C ATOM 1857 CE1 TYR A 118 5.169 13.153 -0.062 1.00 0.00 C ATOM 1858 CE2 TYR A 118 2.735 12.954 0.014 1.00 0.00 C ATOM 1859 CZ TYR A 118 3.927 13.553 0.481 1.00 0.00 C ATOM 1860 OH TYR A 118 3.895 14.510 1.452 1.00 0.00 O ATOM 0 H TYR A 118 4.349 12.604 -4.110 1.00 0.00 H new ATOM 0 HA TYR A 118 6.079 10.561 -3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 118 3.066 10.602 -3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 118 4.116 9.568 -2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 118 6.167 11.872 -1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 118 1.884 11.472 -1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 118 6.084 13.600 0.298 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.781 13.262 0.416 1.00 0.00 H new ATOM 0 HH TYR A 118 2.967 14.674 1.720 1.00 0.00 H new ATOM 1870 N TRP A 119 3.958 9.734 -5.689 1.00 0.00 N ATOM 1871 CA TRP A 119 3.746 8.791 -6.790 1.00 0.00 C ATOM 1872 C TRP A 119 5.013 8.630 -7.649 1.00 0.00 C ATOM 1873 O TRP A 119 5.396 7.507 -7.990 1.00 0.00 O ATOM 1874 CB TRP A 119 2.522 9.251 -7.601 1.00 0.00 C ATOM 1875 CG TRP A 119 2.363 8.671 -8.973 1.00 0.00 C ATOM 1876 CD1 TRP A 119 3.108 9.015 -10.047 1.00 0.00 C ATOM 1877 CD2 TRP A 119 1.385 7.703 -9.468 1.00 0.00 C ATOM 1878 NE1 TRP A 119 2.711 8.292 -11.144 1.00 0.00 N ATOM 1879 CE2 TRP A 119 1.636 7.487 -10.855 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.302 6.994 -8.902 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 0.868 6.611 -11.631 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.529 6.177 -9.693 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.251 5.985 -11.057 1.00 0.00 C ATOM 0 H TRP A 119 3.257 10.474 -5.644 1.00 0.00 H new ATOM 0 HA TRP A 119 3.541 7.796 -6.394 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.626 9.015 -7.027 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.565 10.336 -7.694 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.899 9.750 -10.043 1.00 0.00 H new ATOM 0 HE1 TRP A 119 3.158 8.346 -12.059 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.108 7.080 -7.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 1.133 6.418 -12.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.386 5.694 -9.248 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.893 5.360 -11.660 1.00 0.00 H new ATOM 1894 N LEU A 120 5.704 9.732 -7.954 1.00 0.00 N ATOM 1895 CA LEU A 120 6.979 9.731 -8.659 1.00 0.00 C ATOM 1896 C LEU A 120 8.011 8.906 -7.888 1.00 0.00 C ATOM 1897 O LEU A 120 8.596 7.980 -8.449 1.00 0.00 O ATOM 1898 CB LEU A 120 7.426 11.192 -8.836 1.00 0.00 C ATOM 1899 CG LEU A 120 8.838 11.400 -9.413 1.00 0.00 C ATOM 1900 CD1 LEU A 120 8.930 10.954 -10.874 1.00 0.00 C ATOM 1901 CD2 LEU A 120 9.186 12.887 -9.293 1.00 0.00 C ATOM 0 H LEU A 120 5.381 10.668 -7.710 1.00 0.00 H new ATOM 0 HA LEU A 120 6.878 9.268 -9.641 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.711 11.694 -9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.375 11.687 -7.866 1.00 0.00 H new ATOM 0 HG LEU A 120 9.545 10.790 -8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.943 11.118 -11.241 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.685 9.894 -10.947 1.00 0.00 H new ATOM 0 HD13 LEU A 120 8.228 11.531 -11.476 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.184 13.061 -9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.461 13.477 -9.853 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.162 13.183 -8.244 1.00 0.00 H new ATOM 1913 N ALA A 121 8.204 9.203 -6.600 1.00 0.00 N ATOM 1914 CA ALA A 121 9.159 8.503 -5.749 1.00 0.00 C ATOM 1915 C ALA A 121 8.795 7.024 -5.541 1.00 0.00 C ATOM 1916 O ALA A 121 9.691 6.211 -5.307 1.00 0.00 O ATOM 1917 CB ALA A 121 9.262 9.229 -4.405 1.00 0.00 C ATOM 0 H ALA A 121 7.695 9.944 -6.118 1.00 0.00 H new ATOM 0 HA ALA A 121 10.126 8.512 -6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.975 8.710 -3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.600 10.252 -4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.284 9.243 -3.923 1.00 0.00 H new ATOM 1923 N ARG A 122 7.512 6.647 -5.646 1.00 0.00 N ATOM 1924 CA ARG A 122 7.080 5.250 -5.552 1.00 0.00 C ATOM 1925 C ARG A 122 7.477 4.451 -6.797 1.00 0.00 C ATOM 1926 O ARG A 122 7.375 3.224 -6.777 1.00 0.00 O ATOM 1927 CB ARG A 122 5.556 5.150 -5.345 1.00 0.00 C ATOM 1928 CG ARG A 122 5.125 5.651 -3.964 1.00 0.00 C ATOM 1929 CD ARG A 122 3.622 5.547 -3.725 1.00 0.00 C ATOM 1930 NE ARG A 122 3.231 4.150 -3.503 1.00 0.00 N ATOM 1931 CZ ARG A 122 1.999 3.643 -3.569 1.00 0.00 C ATOM 1932 NH1 ARG A 122 0.974 4.376 -3.995 1.00 0.00 N ATOM 1933 NH2 ARG A 122 1.827 2.391 -3.178 1.00 0.00 N ATOM 0 H ARG A 122 6.747 7.304 -5.798 1.00 0.00 H new ATOM 0 HA ARG A 122 7.587 4.823 -4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.048 5.731 -6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.242 4.114 -5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.648 5.078 -3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.433 6.690 -3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.343 6.150 -2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.083 5.950 -4.583 1.00 0.00 H new ATOM 0 HE ARG A 122 3.981 3.498 -3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.123 5.344 -4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.039 3.970 -4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.622 1.848 -2.841 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.899 1.968 -3.214 1.00 0.00 H new ATOM 1947 N GLY A 123 7.905 5.112 -7.878 1.00 0.00 N ATOM 1948 CA GLY A 123 8.160 4.452 -9.147 1.00 0.00 C ATOM 1949 C GLY A 123 6.854 4.160 -9.886 1.00 0.00 C ATOM 1950 O GLY A 123 6.764 3.126 -10.551 1.00 0.00 O ATOM 0 H GLY A 123 8.082 6.117 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 123 8.799 5.081 -9.766 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.700 3.521 -8.975 1.00 0.00 H new ATOM 1954 N TYR A 124 5.873 5.075 -9.789 1.00 0.00 N ATOM 1955 CA TYR A 124 4.592 5.077 -10.496 1.00 0.00 C ATOM 1956 C TYR A 124 3.725 3.841 -10.195 1.00 0.00 C ATOM 1957 O TYR A 124 4.099 2.963 -9.412 1.00 0.00 O ATOM 1958 CB TYR A 124 4.867 5.269 -12.001 1.00 0.00 C ATOM 1959 CG TYR A 124 5.000 6.694 -12.500 1.00 0.00 C ATOM 1960 CD1 TYR A 124 5.861 7.608 -11.861 1.00 0.00 C ATOM 1961 CD2 TYR A 124 4.292 7.094 -13.652 1.00 0.00 C ATOM 1962 CE1 TYR A 124 6.027 8.903 -12.374 1.00 0.00 C ATOM 1963 CE2 TYR A 124 4.468 8.383 -14.177 1.00 0.00 C ATOM 1964 CZ TYR A 124 5.359 9.287 -13.558 1.00 0.00 C ATOM 1965 OH TYR A 124 5.584 10.503 -14.122 1.00 0.00 O ATOM 0 H TYR A 124 5.966 5.883 -9.173 1.00 0.00 H new ATOM 0 HA TYR A 124 3.991 5.910 -10.132 1.00 0.00 H new ATOM 0 HB2 TYR A 124 5.785 4.736 -12.248 1.00 0.00 H new ATOM 0 HB3 TYR A 124 4.061 4.789 -12.556 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.396 7.310 -10.971 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.612 6.406 -14.132 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.666 9.608 -11.863 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.920 8.685 -15.057 1.00 0.00 H new ATOM 0 HH TYR A 124 4.985 11.166 -13.720 1.00 0.00 H new ATOM 1975 N LYS A 125 2.538 3.785 -10.815 1.00 0.00 N ATOM 1976 CA LYS A 125 1.678 2.597 -10.822 1.00 0.00 C ATOM 1977 C LYS A 125 1.149 2.321 -12.231 1.00 0.00 C ATOM 1978 O LYS A 125 1.123 1.156 -12.632 1.00 0.00 O ATOM 1979 CB LYS A 125 0.507 2.707 -9.824 1.00 0.00 C ATOM 1980 CG LYS A 125 0.917 3.118 -8.398 1.00 0.00 C ATOM 1981 CD LYS A 125 -0.275 3.184 -7.429 1.00 0.00 C ATOM 1982 CE LYS A 125 -0.818 1.792 -7.072 1.00 0.00 C ATOM 1983 NZ LYS A 125 -1.986 1.866 -6.160 1.00 0.00 N ATOM 0 H LYS A 125 2.145 4.573 -11.331 1.00 0.00 H new ATOM 0 HA LYS A 125 2.297 1.760 -10.501 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.211 3.433 -10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.005 1.746 -9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 125 1.650 2.407 -8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 125 1.406 4.092 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.030 3.697 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.072 3.778 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.104 1.270 -7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.029 1.205 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.299 0.904 -5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.717 2.371 -5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.762 2.375 -6.630 1.00 0.00 H new ATOM 1997 N PHE A 126 0.742 3.354 -12.986 1.00 0.00 N ATOM 1998 CA PHE A 126 0.428 3.186 -14.403 1.00 0.00 C ATOM 1999 C PHE A 126 1.713 2.880 -15.178 1.00 0.00 C ATOM 2000 O PHE A 126 2.803 3.316 -14.748 1.00 0.00 O ATOM 2001 CB PHE A 126 -0.413 4.350 -14.971 1.00 0.00 C ATOM 2002 CG PHE A 126 0.229 5.694 -15.306 1.00 0.00 C ATOM 2003 CD1 PHE A 126 1.214 5.805 -16.309 1.00 0.00 C ATOM 2004 CD2 PHE A 126 -0.254 6.870 -14.695 1.00 0.00 C ATOM 2005 CE1 PHE A 126 1.753 7.061 -16.643 1.00 0.00 C ATOM 2006 CE2 PHE A 126 0.297 8.124 -15.015 1.00 0.00 C ATOM 2007 CZ PHE A 126 1.302 8.221 -15.991 1.00 0.00 C ATOM 2008 OXT PHE A 126 1.624 2.184 -16.210 1.00 0.00 O ATOM 0 H PHE A 126 0.625 4.305 -12.637 1.00 0.00 H new ATOM 0 HA PHE A 126 -0.228 2.324 -14.527 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -0.887 3.986 -15.883 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -1.210 4.547 -14.254 1.00 0.00 H new ATOM 0 HD1 PHE A 126 1.557 4.920 -16.824 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -1.055 6.807 -13.974 1.00 0.00 H new ATOM 0 HE1 PHE A 126 2.516 7.134 -17.404 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -0.053 9.012 -14.510 1.00 0.00 H new ATOM 0 HZ PHE A 126 1.726 9.183 -16.239 1.00 0.00 H new TER 2018 PHE A 126