USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 126:sc= -0.132 (180deg=-0.736) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.762 (180deg=0.278) USER MOD Single : A 2 SER OG : rot 180:sc= 0.103 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.88 X(o=-0.88,f=-0.84) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -122:sc= -0.887 (180deg=-4.59!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc=-0.00688 X(o=-0.0069,f=-0.056) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0267) USER MOD Single : A 28 CYS SG : rot 48:sc= 0.349 USER MOD Single : A 30 TYR OH : rot 10:sc= 1.26 USER MOD Single : A 31 LYS NZ :NH3+ -145:sc=-0.00762 (180deg=-1.42!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -3.44 K(o=-3.4,f=-5!) USER MOD Single : A 37 THR OG1 : rot 126:sc= 1.2 USER MOD Single : A 41 CYS SG : rot 61:sc= 1.16 USER MOD Single : A 42 ASN :FLIP amide:sc= 0.895 F(o=0.11,f=0.9) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= -0.148 (180deg=-0.213) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.255 X(o=-0.26,f=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.431 F(o=-3.1!,f=-0.43) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.0857 (180deg=-0.518) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -123:sc= 0.042 (180deg=-0.122) USER MOD Single : A 61 ASN : amide:sc= -0.788 K(o=-0.79,f=-1.4!) USER MOD Single : A 66 MET CE :methyl 163:sc= -3.19 (180deg=-4.51!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0946) USER MOD Single : A 75 TYR OH : rot 107:sc= 0.637 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.395 0.608 1.747 1.00 40.14 N ATOM 2 CA MET A 1 3.201 0.182 0.365 1.00 23.14 C ATOM 3 C MET A 1 4.446 -0.522 -0.166 1.00 40.52 C ATOM 4 O MET A 1 5.567 -0.207 0.235 1.00 73.53 O ATOM 5 CB MET A 1 2.863 1.384 -0.519 1.00 64.40 C ATOM 6 CG MET A 1 1.443 1.893 -0.335 1.00 2.41 C ATOM 7 SD MET A 1 1.285 3.016 1.067 1.00 34.13 S ATOM 8 CE MET A 1 2.225 4.423 0.482 1.00 2.43 C ATOM 0 H1 MET A 1 2.820 1.454 1.934 1.00 40.14 H new ATOM 0 H2 MET A 1 3.105 -0.156 2.390 1.00 40.14 H new ATOM 0 H3 MET A 1 4.399 0.830 1.904 1.00 40.14 H new ATOM 0 HA MET A 1 2.369 -0.522 0.341 1.00 23.14 H new ATOM 0 HB2 MET A 1 3.561 2.192 -0.301 1.00 64.40 H new ATOM 0 HB3 MET A 1 3.009 1.109 -1.564 1.00 64.40 H new ATOM 0 HG2 MET A 1 1.124 2.404 -1.243 1.00 2.41 H new ATOM 0 HG3 MET A 1 0.773 1.045 -0.194 1.00 2.41 H new ATOM 0 HE1 MET A 1 1.611 5.322 0.544 1.00 2.43 H new ATOM 0 HE2 MET A 1 3.115 4.548 1.099 1.00 2.43 H new ATOM 0 HE3 MET A 1 2.522 4.257 -0.554 1.00 2.43 H new ATOM 18 N SER A 2 4.241 -1.474 -1.070 1.00 64.31 N ATOM 19 CA SER A 2 5.347 -2.225 -1.653 1.00 43.23 C ATOM 20 C SER A 2 6.403 -1.282 -2.223 1.00 60.20 C ATOM 21 O SER A 2 7.602 -1.497 -2.047 1.00 50.51 O ATOM 22 CB SER A 2 4.835 -3.158 -2.752 1.00 33.33 C ATOM 23 OG SER A 2 3.501 -3.562 -2.496 1.00 74.13 O ATOM 0 H SER A 2 3.320 -1.744 -1.415 1.00 64.31 H new ATOM 0 HA SER A 2 5.804 -2.821 -0.864 1.00 43.23 H new ATOM 0 HB2 SER A 2 4.887 -2.652 -3.716 1.00 33.33 H new ATOM 0 HB3 SER A 2 5.478 -4.036 -2.817 1.00 33.33 H new ATOM 0 HG SER A 2 3.196 -4.156 -3.213 1.00 74.13 H new ATOM 29 N ALA A 3 5.947 -0.238 -2.907 1.00 3.32 N ATOM 30 CA ALA A 3 6.851 0.739 -3.501 1.00 40.51 C ATOM 31 C ALA A 3 7.808 1.307 -2.459 1.00 1.35 C ATOM 32 O ALA A 3 8.928 1.704 -2.781 1.00 51.40 O ATOM 33 CB ALA A 3 6.059 1.860 -4.159 1.00 33.34 C ATOM 0 H ALA A 3 4.957 -0.047 -3.063 1.00 3.32 H new ATOM 0 HA ALA A 3 7.444 0.232 -4.262 1.00 40.51 H new ATOM 0 HB1 ALA A 3 6.747 2.582 -4.598 1.00 33.34 H new ATOM 0 HB2 ALA A 3 5.421 1.445 -4.940 1.00 33.34 H new ATOM 0 HB3 ALA A 3 5.441 2.356 -3.411 1.00 33.34 H new ATOM 39 N ASP A 4 7.360 1.343 -1.208 1.00 41.45 N ATOM 40 CA ASP A 4 8.177 1.863 -0.118 1.00 63.30 C ATOM 41 C ASP A 4 8.932 0.735 0.580 1.00 51.51 C ATOM 42 O ASP A 4 9.986 0.957 1.177 1.00 15.10 O ATOM 43 CB ASP A 4 7.304 2.610 0.891 1.00 20.22 C ATOM 44 CG ASP A 4 8.021 2.862 2.203 1.00 64.03 C ATOM 45 OD1 ASP A 4 9.038 3.587 2.193 1.00 55.42 O ATOM 46 OD2 ASP A 4 7.567 2.333 3.239 1.00 2.01 O ATOM 0 H ASP A 4 6.436 1.018 -0.924 1.00 41.45 H new ATOM 0 HA ASP A 4 8.904 2.557 -0.540 1.00 63.30 H new ATOM 0 HB2 ASP A 4 6.992 3.562 0.462 1.00 20.22 H new ATOM 0 HB3 ASP A 4 6.398 2.034 1.080 1.00 20.22 H new ATOM 51 N ASP A 5 8.385 -0.473 0.501 1.00 4.32 N ATOM 52 CA ASP A 5 9.007 -1.635 1.125 1.00 32.12 C ATOM 53 C ASP A 5 10.156 -2.162 0.271 1.00 55.44 C ATOM 54 O ASP A 5 10.876 -3.075 0.675 1.00 53.14 O ATOM 55 CB ASP A 5 7.970 -2.738 1.344 1.00 62.30 C ATOM 56 CG ASP A 5 6.925 -2.355 2.373 1.00 53.44 C ATOM 57 OD1 ASP A 5 7.212 -1.475 3.211 1.00 43.24 O ATOM 58 OD2 ASP A 5 5.819 -2.935 2.340 1.00 10.31 O ATOM 0 H ASP A 5 7.513 -0.673 0.011 1.00 4.32 H new ATOM 0 HA ASP A 5 9.409 -1.327 2.090 1.00 32.12 H new ATOM 0 HB2 ASP A 5 7.478 -2.963 0.398 1.00 62.30 H new ATOM 0 HB3 ASP A 5 8.475 -3.649 1.665 1.00 62.30 H new ATOM 63 N PHE A 6 10.320 -1.580 -0.913 1.00 24.30 N ATOM 64 CA PHE A 6 11.380 -1.992 -1.826 1.00 23.20 C ATOM 65 C PHE A 6 12.733 -2.002 -1.120 1.00 31.32 C ATOM 66 O PHE A 6 13.617 -2.788 -1.461 1.00 23.14 O ATOM 67 CB PHE A 6 11.431 -1.058 -3.037 1.00 2.14 C ATOM 68 CG PHE A 6 12.093 0.260 -2.750 1.00 33.35 C ATOM 69 CD1 PHE A 6 11.581 1.110 -1.783 1.00 3.43 C ATOM 70 CD2 PHE A 6 13.226 0.647 -3.446 1.00 11.30 C ATOM 71 CE1 PHE A 6 12.188 2.324 -1.517 1.00 74.33 C ATOM 72 CE2 PHE A 6 13.837 1.859 -3.185 1.00 11.44 C ATOM 73 CZ PHE A 6 13.317 2.698 -2.218 1.00 44.11 C ATOM 0 H PHE A 6 9.733 -0.822 -1.262 1.00 24.30 H new ATOM 0 HA PHE A 6 11.160 -3.004 -2.165 1.00 23.20 H new ATOM 0 HB2 PHE A 6 11.965 -1.555 -3.847 1.00 2.14 H new ATOM 0 HB3 PHE A 6 10.415 -0.876 -3.389 1.00 2.14 H new ATOM 0 HD1 PHE A 6 10.699 0.822 -1.231 1.00 3.43 H new ATOM 0 HD2 PHE A 6 13.637 -0.006 -4.202 1.00 11.30 H new ATOM 0 HE1 PHE A 6 11.779 2.979 -0.762 1.00 74.33 H new ATOM 0 HE2 PHE A 6 14.719 2.150 -3.736 1.00 11.44 H new ATOM 0 HZ PHE A 6 13.793 3.645 -2.011 1.00 44.11 H new ATOM 83 N ASP A 7 12.886 -1.124 -0.135 1.00 51.12 N ATOM 84 CA ASP A 7 14.130 -1.031 0.620 1.00 12.12 C ATOM 85 C ASP A 7 14.512 -2.386 1.207 1.00 70.32 C ATOM 86 O ASP A 7 15.606 -2.894 0.961 1.00 12.21 O ATOM 87 CB ASP A 7 13.996 0.004 1.739 1.00 61.51 C ATOM 88 CG ASP A 7 14.531 1.364 1.336 1.00 32.15 C ATOM 89 OD1 ASP A 7 15.640 1.420 0.766 1.00 72.24 O ATOM 90 OD2 ASP A 7 13.841 2.373 1.593 1.00 35.31 O ATOM 0 H ASP A 7 12.164 -0.466 0.159 1.00 51.12 H new ATOM 0 HA ASP A 7 14.918 -0.716 -0.064 1.00 12.12 H new ATOM 0 HB2 ASP A 7 12.947 0.098 2.019 1.00 61.51 H new ATOM 0 HB3 ASP A 7 14.532 -0.347 2.621 1.00 61.51 H new ATOM 95 N ALA A 8 13.603 -2.966 1.984 1.00 24.31 N ATOM 96 CA ALA A 8 13.845 -4.263 2.605 1.00 52.21 C ATOM 97 C ALA A 8 14.042 -5.348 1.552 1.00 53.34 C ATOM 98 O ALA A 8 14.559 -6.425 1.846 1.00 74.12 O ATOM 99 CB ALA A 8 12.694 -4.627 3.532 1.00 42.34 C ATOM 0 H ALA A 8 12.693 -2.559 2.198 1.00 24.31 H new ATOM 0 HA ALA A 8 14.761 -4.192 3.191 1.00 52.21 H new ATOM 0 HB1 ALA A 8 12.888 -5.598 3.989 1.00 42.34 H new ATOM 0 HB2 ALA A 8 12.602 -3.871 4.312 1.00 42.34 H new ATOM 0 HB3 ALA A 8 11.767 -4.674 2.960 1.00 42.34 H new ATOM 105 N ALA A 9 13.626 -5.056 0.324 1.00 74.24 N ATOM 106 CA ALA A 9 13.758 -6.007 -0.774 1.00 13.34 C ATOM 107 C ALA A 9 15.169 -5.987 -1.350 1.00 42.12 C ATOM 108 O ALA A 9 15.807 -7.030 -1.492 1.00 63.04 O ATOM 109 CB ALA A 9 12.737 -5.703 -1.861 1.00 21.35 C ATOM 0 H ALA A 9 13.195 -4.169 0.064 1.00 74.24 H new ATOM 0 HA ALA A 9 13.568 -7.006 -0.382 1.00 13.34 H new ATOM 0 HB1 ALA A 9 12.847 -6.420 -2.674 1.00 21.35 H new ATOM 0 HB2 ALA A 9 11.732 -5.776 -1.446 1.00 21.35 H new ATOM 0 HB3 ALA A 9 12.900 -4.695 -2.242 1.00 21.35 H new ATOM 115 N VAL A 10 15.651 -4.793 -1.682 1.00 25.34 N ATOM 116 CA VAL A 10 16.988 -4.638 -2.243 1.00 2.33 C ATOM 117 C VAL A 10 18.055 -5.110 -1.261 1.00 14.31 C ATOM 118 O VAL A 10 19.109 -5.602 -1.662 1.00 24.42 O ATOM 119 CB VAL A 10 17.270 -3.172 -2.624 1.00 73.21 C ATOM 120 CG1 VAL A 10 18.572 -3.064 -3.402 1.00 50.45 C ATOM 121 CG2 VAL A 10 16.111 -2.599 -3.425 1.00 53.42 C ATOM 0 H VAL A 10 15.136 -3.920 -1.572 1.00 25.34 H new ATOM 0 HA VAL A 10 17.027 -5.254 -3.141 1.00 2.33 H new ATOM 0 HB VAL A 10 17.373 -2.589 -1.709 1.00 73.21 H new ATOM 0 HG11 VAL A 10 18.755 -2.021 -3.663 1.00 50.45 H new ATOM 0 HG12 VAL A 10 19.394 -3.434 -2.789 1.00 50.45 H new ATOM 0 HG13 VAL A 10 18.502 -3.659 -4.313 1.00 50.45 H new ATOM 0 HG21 VAL A 10 16.326 -1.563 -3.686 1.00 53.42 H new ATOM 0 HG22 VAL A 10 15.975 -3.182 -4.336 1.00 53.42 H new ATOM 0 HG23 VAL A 10 15.200 -2.641 -2.828 1.00 53.42 H new ATOM 131 N LYS A 11 17.773 -4.956 0.029 1.00 62.54 N ATOM 132 CA LYS A 11 18.707 -5.368 1.070 1.00 33.32 C ATOM 133 C LYS A 11 18.741 -6.888 1.201 1.00 52.35 C ATOM 134 O LYS A 11 19.757 -7.464 1.590 1.00 74.30 O ATOM 135 CB LYS A 11 18.318 -4.740 2.410 1.00 13.51 C ATOM 136 CG LYS A 11 18.838 -3.324 2.592 1.00 64.32 C ATOM 137 CD LYS A 11 20.254 -3.318 3.143 1.00 3.43 C ATOM 138 CE LYS A 11 20.593 -1.985 3.793 1.00 43.55 C ATOM 139 NZ LYS A 11 20.959 -0.953 2.783 1.00 65.12 N ATOM 0 H LYS A 11 16.905 -4.549 0.378 1.00 62.54 H new ATOM 0 HA LYS A 11 19.702 -5.023 0.788 1.00 33.32 H new ATOM 0 HB2 LYS A 11 17.231 -4.733 2.497 1.00 13.51 H new ATOM 0 HB3 LYS A 11 18.698 -5.364 3.218 1.00 13.51 H new ATOM 0 HG2 LYS A 11 18.816 -2.801 1.636 1.00 64.32 H new ATOM 0 HG3 LYS A 11 18.181 -2.778 3.269 1.00 64.32 H new ATOM 0 HD2 LYS A 11 20.365 -4.119 3.874 1.00 3.43 H new ATOM 0 HD3 LYS A 11 20.960 -3.521 2.338 1.00 3.43 H new ATOM 0 HE2 LYS A 11 19.740 -1.637 4.375 1.00 43.55 H new ATOM 0 HE3 LYS A 11 21.420 -2.121 4.490 1.00 43.55 H new ATOM 0 HZ1 LYS A 11 21.183 -0.059 3.265 1.00 65.12 H new ATOM 0 HZ2 LYS A 11 21.789 -1.273 2.244 1.00 65.12 H new ATOM 0 HZ3 LYS A 11 20.161 -0.805 2.133 1.00 65.12 H new ATOM 153 N TYR A 12 17.626 -7.530 0.871 1.00 32.22 N ATOM 154 CA TYR A 12 17.528 -8.983 0.953 1.00 42.35 C ATOM 155 C TYR A 12 18.160 -9.640 -0.270 1.00 64.53 C ATOM 156 O TYR A 12 18.611 -10.785 -0.211 1.00 52.33 O ATOM 157 CB TYR A 12 16.065 -9.410 1.076 1.00 31.41 C ATOM 158 CG TYR A 12 15.878 -10.732 1.786 1.00 23.23 C ATOM 159 CD1 TYR A 12 16.225 -11.929 1.171 1.00 41.32 C ATOM 160 CD2 TYR A 12 15.354 -10.785 3.072 1.00 43.20 C ATOM 161 CE1 TYR A 12 16.056 -13.139 1.815 1.00 12.14 C ATOM 162 CE2 TYR A 12 15.183 -11.990 3.725 1.00 70.23 C ATOM 163 CZ TYR A 12 15.535 -13.164 3.092 1.00 31.33 C ATOM 164 OH TYR A 12 15.364 -14.367 3.739 1.00 64.25 O ATOM 0 H TYR A 12 16.778 -7.068 0.544 1.00 32.22 H new ATOM 0 HA TYR A 12 18.070 -9.310 1.840 1.00 42.35 H new ATOM 0 HB2 TYR A 12 15.514 -8.638 1.613 1.00 31.41 H new ATOM 0 HB3 TYR A 12 15.630 -9.478 0.079 1.00 31.41 H new ATOM 0 HD1 TYR A 12 16.634 -11.913 0.172 1.00 41.32 H new ATOM 0 HD2 TYR A 12 15.076 -9.868 3.570 1.00 43.20 H new ATOM 0 HE1 TYR A 12 16.330 -14.060 1.322 1.00 12.14 H new ATOM 0 HE2 TYR A 12 14.776 -12.013 4.725 1.00 70.23 H new ATOM 0 HH TYR A 12 14.988 -14.209 4.630 1.00 64.25 H new ATOM 174 N VAL A 13 18.191 -8.908 -1.379 1.00 12.30 N ATOM 175 CA VAL A 13 18.769 -9.417 -2.617 1.00 20.34 C ATOM 176 C VAL A 13 20.233 -9.013 -2.747 1.00 1.43 C ATOM 177 O VAL A 13 21.036 -9.731 -3.343 1.00 13.13 O ATOM 178 CB VAL A 13 17.996 -8.909 -3.848 1.00 60.21 C ATOM 179 CG1 VAL A 13 18.743 -9.254 -5.127 1.00 42.24 C ATOM 180 CG2 VAL A 13 16.589 -9.488 -3.870 1.00 25.20 C ATOM 0 H VAL A 13 17.822 -7.959 -1.445 1.00 12.30 H new ATOM 0 HA VAL A 13 18.698 -10.504 -2.576 1.00 20.34 H new ATOM 0 HB VAL A 13 17.917 -7.824 -3.783 1.00 60.21 H new ATOM 0 HG11 VAL A 13 18.182 -8.887 -5.986 1.00 42.24 H new ATOM 0 HG12 VAL A 13 19.728 -8.787 -5.111 1.00 42.24 H new ATOM 0 HG13 VAL A 13 18.856 -10.336 -5.202 1.00 42.24 H new ATOM 0 HG21 VAL A 13 16.057 -9.118 -4.747 1.00 25.20 H new ATOM 0 HG22 VAL A 13 16.644 -10.576 -3.911 1.00 25.20 H new ATOM 0 HG23 VAL A 13 16.057 -9.185 -2.968 1.00 25.20 H new ATOM 190 N SER A 14 20.574 -7.858 -2.184 1.00 43.44 N ATOM 191 CA SER A 14 21.942 -7.355 -2.240 1.00 40.11 C ATOM 192 C SER A 14 22.821 -8.056 -1.208 1.00 52.34 C ATOM 193 O SER A 14 23.997 -8.318 -1.455 1.00 3.53 O ATOM 194 CB SER A 14 21.963 -5.844 -2.002 1.00 15.21 C ATOM 195 OG SER A 14 23.291 -5.355 -1.941 1.00 63.10 O ATOM 0 H SER A 14 19.922 -7.253 -1.684 1.00 43.44 H new ATOM 0 HA SER A 14 22.339 -7.564 -3.233 1.00 40.11 H new ATOM 0 HB2 SER A 14 21.423 -5.339 -2.803 1.00 15.21 H new ATOM 0 HB3 SER A 14 21.444 -5.612 -1.072 1.00 15.21 H new ATOM 0 HG SER A 14 23.276 -4.387 -1.790 1.00 63.10 H new ATOM 201 N ASN A 15 22.239 -8.356 -0.052 1.00 25.53 N ATOM 202 CA ASN A 15 22.969 -9.026 1.019 1.00 72.51 C ATOM 203 C ASN A 15 22.893 -10.542 0.863 1.00 61.21 C ATOM 204 O ASN A 15 23.899 -11.242 0.987 1.00 50.13 O ATOM 205 CB ASN A 15 22.409 -8.614 2.382 1.00 74.24 C ATOM 206 CG ASN A 15 22.540 -7.125 2.634 1.00 54.40 C ATOM 207 OD1 ASN A 15 23.462 -6.478 2.136 1.00 34.22 O ATOM 208 ND2 ASN A 15 21.615 -6.573 3.411 1.00 11.30 N ATOM 0 H ASN A 15 21.265 -8.146 0.168 1.00 25.53 H new ATOM 0 HA ASN A 15 24.014 -8.724 0.957 1.00 72.51 H new ATOM 0 HB2 ASN A 15 21.359 -8.899 2.441 1.00 74.24 H new ATOM 0 HB3 ASN A 15 22.932 -9.160 3.167 1.00 74.24 H new ATOM 0 HD21 ASN A 15 21.651 -5.575 3.616 1.00 11.30 H new ATOM 0 HD22 ASN A 15 20.869 -7.148 3.802 1.00 11.30 H new ATOM 215 N THR A 16 21.693 -11.044 0.589 1.00 32.45 N ATOM 216 CA THR A 16 21.485 -12.477 0.417 1.00 53.51 C ATOM 217 C THR A 16 21.301 -12.832 -1.054 1.00 62.11 C ATOM 218 O THR A 16 20.407 -12.313 -1.723 1.00 11.42 O ATOM 219 CB THR A 16 20.257 -12.965 1.208 1.00 21.35 C ATOM 220 OG1 THR A 16 20.661 -13.429 2.502 1.00 51.51 O ATOM 221 CG2 THR A 16 19.543 -14.083 0.464 1.00 61.31 C ATOM 0 H THR A 16 20.850 -10.480 0.481 1.00 32.45 H new ATOM 0 HA THR A 16 22.376 -12.974 0.800 1.00 53.51 H new ATOM 0 HB THR A 16 19.569 -12.127 1.320 1.00 21.35 H new ATOM 0 HG1 THR A 16 19.875 -13.736 3.000 1.00 51.51 H new ATOM 0 HG21 THR A 16 18.679 -14.411 1.042 1.00 61.31 H new ATOM 0 HG22 THR A 16 19.212 -13.719 -0.509 1.00 61.31 H new ATOM 0 HG23 THR A 16 20.226 -14.921 0.324 1.00 61.31 H new ATOM 229 N THR A 17 22.153 -13.722 -1.554 1.00 1.01 N ATOM 230 CA THR A 17 22.085 -14.147 -2.946 1.00 41.14 C ATOM 231 C THR A 17 22.328 -15.646 -3.076 1.00 73.22 C ATOM 232 O THR A 17 22.677 -16.139 -4.149 1.00 61.14 O ATOM 233 CB THR A 17 23.112 -13.395 -3.814 1.00 21.10 C ATOM 234 OG1 THR A 17 24.441 -13.753 -3.421 1.00 25.44 O ATOM 235 CG2 THR A 17 22.929 -11.890 -3.688 1.00 33.21 C ATOM 0 H THR A 17 22.898 -14.162 -1.015 1.00 1.01 H new ATOM 0 HA THR A 17 21.081 -13.913 -3.299 1.00 41.14 H new ATOM 0 HB THR A 17 22.952 -13.679 -4.854 1.00 21.10 H new ATOM 0 HG1 THR A 17 25.088 -13.272 -3.979 1.00 25.44 H new ATOM 0 HG21 THR A 17 23.665 -11.381 -4.310 1.00 33.21 H new ATOM 0 HG22 THR A 17 21.926 -11.617 -4.016 1.00 33.21 H new ATOM 0 HG23 THR A 17 23.064 -11.593 -2.648 1.00 33.21 H new ATOM 243 N THR A 18 22.140 -16.369 -1.976 1.00 52.03 N ATOM 244 CA THR A 18 22.339 -17.813 -1.967 1.00 53.32 C ATOM 245 C THR A 18 21.016 -18.551 -2.137 1.00 71.10 C ATOM 246 O THR A 18 20.995 -19.757 -2.382 1.00 14.12 O ATOM 247 CB THR A 18 23.010 -18.279 -0.662 1.00 31.15 C ATOM 248 OG1 THR A 18 23.870 -17.251 -0.158 1.00 53.42 O ATOM 249 CG2 THR A 18 23.812 -19.551 -0.890 1.00 63.10 C ATOM 0 H THR A 18 21.850 -15.978 -1.080 1.00 52.03 H new ATOM 0 HA THR A 18 22.993 -18.048 -2.807 1.00 53.32 H new ATOM 0 HB THR A 18 22.228 -18.487 0.068 1.00 31.15 H new ATOM 0 HG1 THR A 18 24.291 -17.555 0.673 1.00 53.42 H new ATOM 0 HG21 THR A 18 24.277 -19.861 0.046 1.00 63.10 H new ATOM 0 HG22 THR A 18 23.149 -20.340 -1.245 1.00 63.10 H new ATOM 0 HG23 THR A 18 24.586 -19.365 -1.635 1.00 63.10 H new ATOM 257 N MET A 19 19.914 -17.819 -2.006 1.00 62.43 N ATOM 258 CA MET A 19 18.587 -18.406 -2.148 1.00 35.14 C ATOM 259 C MET A 19 18.401 -19.002 -3.539 1.00 52.15 C ATOM 260 O MET A 19 19.142 -18.678 -4.467 1.00 21.51 O ATOM 261 CB MET A 19 17.509 -17.352 -1.883 1.00 62.42 C ATOM 262 CG MET A 19 17.337 -16.361 -3.022 1.00 54.32 C ATOM 263 SD MET A 19 17.444 -14.647 -2.473 1.00 13.30 S ATOM 264 CE MET A 19 17.606 -13.798 -4.042 1.00 14.11 C ATOM 0 H MET A 19 19.914 -16.820 -1.802 1.00 62.43 H new ATOM 0 HA MET A 19 18.491 -19.206 -1.414 1.00 35.14 H new ATOM 0 HB2 MET A 19 16.558 -17.854 -1.702 1.00 62.42 H new ATOM 0 HB3 MET A 19 17.761 -16.807 -0.973 1.00 62.42 H new ATOM 0 HG2 MET A 19 18.101 -16.545 -3.777 1.00 54.32 H new ATOM 0 HG3 MET A 19 16.371 -16.526 -3.499 1.00 54.32 H new ATOM 0 HE1 MET A 19 18.529 -13.219 -4.049 1.00 14.11 H new ATOM 0 HE2 MET A 19 17.630 -14.529 -4.850 1.00 14.11 H new ATOM 0 HE3 MET A 19 16.757 -13.129 -4.183 1.00 14.11 H new ATOM 274 N MET A 20 17.407 -19.874 -3.677 1.00 41.44 N ATOM 275 CA MET A 20 17.124 -20.513 -4.957 1.00 24.40 C ATOM 276 C MET A 20 16.693 -19.484 -5.996 1.00 53.41 C ATOM 277 O MET A 20 15.532 -19.076 -6.034 1.00 42.24 O ATOM 278 CB MET A 20 16.036 -21.575 -4.791 1.00 75.10 C ATOM 279 CG MET A 20 15.562 -22.171 -6.107 1.00 24.21 C ATOM 280 SD MET A 20 14.425 -23.551 -5.875 1.00 54.33 S ATOM 281 CE MET A 20 13.190 -23.184 -7.120 1.00 13.44 C ATOM 0 H MET A 20 16.785 -20.154 -2.919 1.00 41.44 H new ATOM 0 HA MET A 20 18.039 -20.992 -5.305 1.00 24.40 H new ATOM 0 HB2 MET A 20 16.415 -22.375 -4.155 1.00 75.10 H new ATOM 0 HB3 MET A 20 15.184 -21.133 -4.274 1.00 75.10 H new ATOM 0 HG2 MET A 20 15.072 -21.396 -6.696 1.00 24.21 H new ATOM 0 HG3 MET A 20 16.425 -22.509 -6.680 1.00 24.21 H new ATOM 0 HE1 MET A 20 12.415 -23.951 -7.101 1.00 13.44 H new ATOM 0 HE2 MET A 20 12.743 -22.211 -6.914 1.00 13.44 H new ATOM 0 HE3 MET A 20 13.659 -23.166 -8.104 1.00 13.44 H new ATOM 291 N ALA A 21 17.634 -19.067 -6.837 1.00 21.14 N ATOM 292 CA ALA A 21 17.350 -18.086 -7.877 1.00 31.32 C ATOM 293 C ALA A 21 17.712 -18.628 -9.256 1.00 11.14 C ATOM 294 O ALA A 21 18.549 -19.521 -9.382 1.00 23.21 O ATOM 295 CB ALA A 21 18.102 -16.792 -7.602 1.00 34.42 C ATOM 0 H ALA A 21 18.600 -19.394 -6.818 1.00 21.14 H new ATOM 0 HA ALA A 21 16.280 -17.880 -7.866 1.00 31.32 H new ATOM 0 HB1 ALA A 21 17.880 -16.069 -8.387 1.00 34.42 H new ATOM 0 HB2 ALA A 21 17.791 -16.388 -6.638 1.00 34.42 H new ATOM 0 HB3 ALA A 21 19.174 -16.991 -7.584 1.00 34.42 H new ATOM 301 N SER A 22 17.075 -18.082 -10.287 1.00 1.23 N ATOM 302 CA SER A 22 17.327 -18.514 -11.656 1.00 41.35 C ATOM 303 C SER A 22 18.121 -17.459 -12.421 1.00 54.34 C ATOM 304 O SER A 22 18.014 -16.265 -12.145 1.00 10.22 O ATOM 305 CB SER A 22 16.007 -18.796 -12.376 1.00 33.12 C ATOM 306 OG SER A 22 16.218 -19.571 -13.543 1.00 75.12 O ATOM 0 H SER A 22 16.381 -17.340 -10.200 1.00 1.23 H new ATOM 0 HA SER A 22 17.915 -19.431 -11.619 1.00 41.35 H new ATOM 0 HB2 SER A 22 15.328 -19.322 -11.705 1.00 33.12 H new ATOM 0 HB3 SER A 22 15.526 -17.855 -12.643 1.00 33.12 H new ATOM 0 HG SER A 22 15.359 -19.739 -13.984 1.00 75.12 H new ATOM 312 N ASN A 23 18.917 -17.910 -13.385 1.00 52.23 N ATOM 313 CA ASN A 23 19.730 -17.006 -14.191 1.00 14.21 C ATOM 314 C ASN A 23 18.871 -15.904 -14.805 1.00 63.13 C ATOM 315 O ASN A 23 19.350 -14.798 -15.057 1.00 53.00 O ATOM 316 CB ASN A 23 20.450 -17.782 -15.295 1.00 45.31 C ATOM 317 CG ASN A 23 21.752 -17.123 -15.709 1.00 41.13 C ATOM 318 OD1 ASN A 23 22.652 -16.932 -14.891 1.00 51.31 O ATOM 319 ND2 ASN A 23 21.857 -16.772 -16.986 1.00 4.13 N ATOM 0 H ASN A 23 19.017 -18.896 -13.627 1.00 52.23 H new ATOM 0 HA ASN A 23 20.471 -16.544 -13.539 1.00 14.21 H new ATOM 0 HB2 ASN A 23 20.653 -18.796 -14.950 1.00 45.31 H new ATOM 0 HB3 ASN A 23 19.796 -17.865 -16.163 1.00 45.31 H new ATOM 0 HD21 ASN A 23 22.709 -16.325 -17.324 1.00 4.13 H new ATOM 0 HD22 ASN A 23 21.085 -16.950 -17.629 1.00 4.13 H new ATOM 326 N ASP A 24 17.602 -16.214 -15.043 1.00 72.44 N ATOM 327 CA ASP A 24 16.676 -15.251 -15.627 1.00 14.34 C ATOM 328 C ASP A 24 16.013 -14.408 -14.541 1.00 62.11 C ATOM 329 O ASP A 24 15.719 -13.231 -14.748 1.00 53.25 O ATOM 330 CB ASP A 24 15.609 -15.972 -16.452 1.00 52.31 C ATOM 331 CG ASP A 24 15.281 -15.241 -17.740 1.00 22.25 C ATOM 332 OD1 ASP A 24 15.676 -14.064 -17.870 1.00 42.12 O ATOM 333 OD2 ASP A 24 14.629 -15.846 -18.616 1.00 60.51 O ATOM 0 H ASP A 24 17.191 -17.125 -14.840 1.00 72.44 H new ATOM 0 HA ASP A 24 17.244 -14.589 -16.281 1.00 14.34 H new ATOM 0 HB2 ASP A 24 15.954 -16.979 -16.687 1.00 52.31 H new ATOM 0 HB3 ASP A 24 14.702 -16.077 -15.856 1.00 52.31 H new ATOM 338 N ASP A 25 15.781 -15.019 -13.385 1.00 11.14 N ATOM 339 CA ASP A 25 15.153 -14.325 -12.266 1.00 61.21 C ATOM 340 C ASP A 25 16.093 -13.275 -11.681 1.00 72.43 C ATOM 341 O ASP A 25 15.681 -12.154 -11.383 1.00 75.14 O ATOM 342 CB ASP A 25 14.747 -15.324 -11.182 1.00 34.42 C ATOM 343 CG ASP A 25 13.409 -14.985 -10.554 1.00 72.52 C ATOM 344 OD1 ASP A 25 13.352 -14.020 -9.764 1.00 61.23 O ATOM 345 OD2 ASP A 25 12.419 -15.686 -10.852 1.00 73.13 O ATOM 0 H ASP A 25 16.018 -15.993 -13.198 1.00 11.14 H new ATOM 0 HA ASP A 25 14.261 -13.821 -12.638 1.00 61.21 H new ATOM 0 HB2 ASP A 25 14.700 -16.324 -11.613 1.00 34.42 H new ATOM 0 HB3 ASP A 25 15.513 -15.347 -10.407 1.00 34.42 H new ATOM 350 N LYS A 26 17.358 -13.647 -11.518 1.00 41.42 N ATOM 351 CA LYS A 26 18.358 -12.738 -10.969 1.00 72.22 C ATOM 352 C LYS A 26 18.546 -11.525 -11.874 1.00 50.13 C ATOM 353 O LYS A 26 19.103 -10.508 -11.459 1.00 23.12 O ATOM 354 CB LYS A 26 19.693 -13.465 -10.788 1.00 55.24 C ATOM 355 CG LYS A 26 19.605 -14.680 -9.882 1.00 24.24 C ATOM 356 CD LYS A 26 20.880 -14.867 -9.076 1.00 61.40 C ATOM 357 CE LYS A 26 21.956 -15.569 -9.891 1.00 3.25 C ATOM 358 NZ LYS A 26 21.693 -17.029 -10.017 1.00 31.13 N ATOM 0 H LYS A 26 17.715 -14.572 -11.758 1.00 41.42 H new ATOM 0 HA LYS A 26 18.005 -12.393 -9.997 1.00 72.22 H new ATOM 0 HB2 LYS A 26 20.063 -13.777 -11.765 1.00 55.24 H new ATOM 0 HB3 LYS A 26 20.424 -12.768 -10.378 1.00 55.24 H new ATOM 0 HG2 LYS A 26 18.758 -14.570 -9.205 1.00 24.24 H new ATOM 0 HG3 LYS A 26 19.419 -15.570 -10.483 1.00 24.24 H new ATOM 0 HD2 LYS A 26 21.248 -13.896 -8.745 1.00 61.40 H new ATOM 0 HD3 LYS A 26 20.663 -15.448 -8.180 1.00 61.40 H new ATOM 0 HE2 LYS A 26 22.008 -15.123 -10.884 1.00 3.25 H new ATOM 0 HE3 LYS A 26 22.927 -15.414 -9.420 1.00 3.25 H new ATOM 0 HZ1 LYS A 26 22.525 -17.497 -10.429 1.00 31.13 H new ATOM 0 HZ2 LYS A 26 21.500 -17.429 -9.077 1.00 31.13 H new ATOM 0 HZ3 LYS A 26 20.870 -17.181 -10.634 1.00 31.13 H new ATOM 372 N LEU A 27 18.077 -11.638 -13.112 1.00 41.31 N ATOM 373 CA LEU A 27 18.192 -10.549 -14.076 1.00 43.20 C ATOM 374 C LEU A 27 16.990 -9.614 -13.988 1.00 22.01 C ATOM 375 O LEU A 27 16.980 -8.541 -14.592 1.00 3.21 O ATOM 376 CB LEU A 27 18.315 -11.108 -15.495 1.00 0.05 C ATOM 377 CG LEU A 27 18.460 -10.075 -16.613 1.00 22.32 C ATOM 378 CD1 LEU A 27 19.462 -10.552 -17.653 1.00 72.31 C ATOM 379 CD2 LEU A 27 17.111 -9.795 -17.258 1.00 50.32 C ATOM 0 H LEU A 27 17.614 -12.472 -13.472 1.00 41.31 H new ATOM 0 HA LEU A 27 19.090 -9.979 -13.837 1.00 43.20 H new ATOM 0 HB2 LEU A 27 19.178 -11.773 -15.528 1.00 0.05 H new ATOM 0 HB3 LEU A 27 17.435 -11.717 -15.702 1.00 0.05 H new ATOM 0 HG LEU A 27 18.832 -9.147 -16.179 1.00 22.32 H new ATOM 0 HD11 LEU A 27 19.552 -9.804 -18.441 1.00 72.31 H new ATOM 0 HD12 LEU A 27 20.433 -10.701 -17.181 1.00 72.31 H new ATOM 0 HD13 LEU A 27 19.120 -11.493 -18.083 1.00 72.31 H new ATOM 0 HD21 LEU A 27 17.233 -9.058 -18.051 1.00 50.32 H new ATOM 0 HD22 LEU A 27 16.710 -10.717 -17.678 1.00 50.32 H new ATOM 0 HD23 LEU A 27 16.422 -9.409 -16.507 1.00 50.32 H new ATOM 391 N CYS A 28 15.980 -10.028 -13.231 1.00 2.32 N ATOM 392 CA CYS A 28 14.773 -9.226 -13.062 1.00 70.51 C ATOM 393 C CYS A 28 15.007 -8.093 -12.068 1.00 71.34 C ATOM 394 O CYS A 28 14.649 -6.944 -12.326 1.00 43.31 O ATOM 395 CB CYS A 28 13.615 -10.105 -12.588 1.00 74.54 C ATOM 396 SG CYS A 28 13.215 -11.467 -13.709 1.00 22.33 S ATOM 0 H CYS A 28 15.973 -10.914 -12.725 1.00 2.32 H new ATOM 0 HA CYS A 28 14.518 -8.790 -14.028 1.00 70.51 H new ATOM 0 HB2 CYS A 28 13.862 -10.515 -11.609 1.00 74.54 H new ATOM 0 HB3 CYS A 28 12.730 -9.483 -12.459 1.00 74.54 H new ATOM 0 HG CYS A 28 14.307 -12.086 -14.047 1.00 22.33 H new ATOM 402 N PHE A 29 15.608 -8.426 -10.931 1.00 1.32 N ATOM 403 CA PHE A 29 15.888 -7.436 -9.896 1.00 75.54 C ATOM 404 C PHE A 29 17.027 -6.514 -10.319 1.00 65.53 C ATOM 405 O PHE A 29 17.258 -5.472 -9.706 1.00 33.35 O ATOM 406 CB PHE A 29 16.240 -8.131 -8.579 1.00 52.51 C ATOM 407 CG PHE A 29 17.707 -8.409 -8.422 1.00 44.00 C ATOM 408 CD1 PHE A 29 18.548 -7.466 -7.853 1.00 40.23 C ATOM 409 CD2 PHE A 29 18.246 -9.614 -8.844 1.00 4.23 C ATOM 410 CE1 PHE A 29 19.899 -7.719 -7.707 1.00 10.11 C ATOM 411 CE2 PHE A 29 19.596 -9.873 -8.699 1.00 43.35 C ATOM 412 CZ PHE A 29 20.424 -8.924 -8.132 1.00 12.34 C ATOM 0 H PHE A 29 15.911 -9.373 -10.702 1.00 1.32 H new ATOM 0 HA PHE A 29 14.992 -6.833 -9.752 1.00 75.54 H new ATOM 0 HB2 PHE A 29 15.905 -7.509 -7.749 1.00 52.51 H new ATOM 0 HB3 PHE A 29 15.691 -9.071 -8.515 1.00 52.51 H new ATOM 0 HD1 PHE A 29 18.143 -6.522 -7.520 1.00 40.23 H new ATOM 0 HD2 PHE A 29 17.604 -10.359 -9.291 1.00 4.23 H new ATOM 0 HE1 PHE A 29 20.543 -6.976 -7.261 1.00 10.11 H new ATOM 0 HE2 PHE A 29 20.003 -10.817 -9.029 1.00 43.35 H new ATOM 0 HZ PHE A 29 21.480 -9.124 -8.021 1.00 12.34 H new ATOM 422 N TYR A 30 17.738 -6.906 -11.371 1.00 72.31 N ATOM 423 CA TYR A 30 18.856 -6.118 -11.875 1.00 52.40 C ATOM 424 C TYR A 30 18.361 -4.951 -12.724 1.00 74.14 C ATOM 425 O TYR A 30 19.005 -3.905 -12.800 1.00 13.51 O ATOM 426 CB TYR A 30 19.798 -6.998 -12.698 1.00 3.14 C ATOM 427 CG TYR A 30 20.297 -6.335 -13.961 1.00 44.34 C ATOM 428 CD1 TYR A 30 19.570 -6.409 -15.143 1.00 14.04 C ATOM 429 CD2 TYR A 30 21.497 -5.633 -13.974 1.00 14.10 C ATOM 430 CE1 TYR A 30 20.022 -5.805 -16.300 1.00 23.34 C ATOM 431 CE2 TYR A 30 21.956 -5.025 -15.126 1.00 43.21 C ATOM 432 CZ TYR A 30 21.216 -5.114 -16.286 1.00 71.24 C ATOM 433 OH TYR A 30 21.670 -4.510 -17.437 1.00 34.24 O ATOM 0 H TYR A 30 17.559 -7.765 -11.891 1.00 72.31 H new ATOM 0 HA TYR A 30 19.399 -5.717 -11.019 1.00 52.40 H new ATOM 0 HB2 TYR A 30 20.653 -7.276 -12.082 1.00 3.14 H new ATOM 0 HB3 TYR A 30 19.282 -7.921 -12.962 1.00 3.14 H new ATOM 0 HD1 TYR A 30 18.635 -6.949 -15.157 1.00 14.04 H new ATOM 0 HD2 TYR A 30 22.080 -5.562 -13.068 1.00 14.10 H new ATOM 0 HE1 TYR A 30 19.444 -5.873 -17.210 1.00 23.34 H new ATOM 0 HE2 TYR A 30 22.890 -4.483 -15.118 1.00 43.21 H new ATOM 0 HH TYR A 30 20.964 -4.528 -18.116 1.00 34.24 H new ATOM 443 N LYS A 31 17.210 -5.139 -13.363 1.00 4.04 N ATOM 444 CA LYS A 31 16.625 -4.104 -14.206 1.00 13.31 C ATOM 445 C LYS A 31 15.684 -3.214 -13.400 1.00 54.34 C ATOM 446 O LYS A 31 15.388 -2.086 -13.798 1.00 32.53 O ATOM 447 CB LYS A 31 15.868 -4.737 -15.376 1.00 22.34 C ATOM 448 CG LYS A 31 14.850 -5.780 -14.948 1.00 20.10 C ATOM 449 CD LYS A 31 14.074 -6.322 -16.137 1.00 13.34 C ATOM 450 CE LYS A 31 12.771 -6.974 -15.701 1.00 31.42 C ATOM 451 NZ LYS A 31 12.032 -7.561 -16.853 1.00 31.21 N ATOM 0 H LYS A 31 16.664 -5.999 -13.312 1.00 4.04 H new ATOM 0 HA LYS A 31 17.435 -3.488 -14.596 1.00 13.31 H new ATOM 0 HB2 LYS A 31 15.359 -3.952 -15.935 1.00 22.34 H new ATOM 0 HB3 LYS A 31 16.585 -5.198 -16.055 1.00 22.34 H new ATOM 0 HG2 LYS A 31 15.359 -6.599 -14.440 1.00 20.10 H new ATOM 0 HG3 LYS A 31 14.158 -5.341 -14.230 1.00 20.10 H new ATOM 0 HD2 LYS A 31 13.861 -5.512 -16.834 1.00 13.34 H new ATOM 0 HD3 LYS A 31 14.685 -7.049 -16.671 1.00 13.34 H new ATOM 0 HE2 LYS A 31 12.982 -7.754 -14.970 1.00 31.42 H new ATOM 0 HE3 LYS A 31 12.143 -6.234 -15.205 1.00 31.42 H new ATOM 0 HZ1 LYS A 31 11.009 -7.454 -16.700 1.00 31.21 H new ATOM 0 HZ2 LYS A 31 12.305 -7.069 -17.728 1.00 31.21 H new ATOM 0 HZ3 LYS A 31 12.266 -8.571 -16.937 1.00 31.21 H new ATOM 465 N TYR A 32 15.217 -3.726 -12.267 1.00 65.41 N ATOM 466 CA TYR A 32 14.309 -2.978 -11.406 1.00 61.14 C ATOM 467 C TYR A 32 15.054 -1.882 -10.650 1.00 30.30 C ATOM 468 O TYR A 32 14.547 -0.773 -10.483 1.00 0.21 O ATOM 469 CB TYR A 32 13.620 -3.919 -10.416 1.00 42.23 C ATOM 470 CG TYR A 32 12.731 -4.948 -11.077 1.00 53.51 C ATOM 471 CD1 TYR A 32 12.073 -4.664 -12.268 1.00 31.24 C ATOM 472 CD2 TYR A 32 12.549 -6.204 -10.511 1.00 41.51 C ATOM 473 CE1 TYR A 32 11.259 -5.601 -12.874 1.00 53.12 C ATOM 474 CE2 TYR A 32 11.738 -7.147 -11.112 1.00 11.05 C ATOM 475 CZ TYR A 32 11.095 -6.841 -12.293 1.00 14.25 C ATOM 476 OH TYR A 32 10.286 -7.777 -12.894 1.00 74.15 O ATOM 0 H TYR A 32 15.453 -4.657 -11.923 1.00 65.41 H new ATOM 0 HA TYR A 32 13.554 -2.510 -12.037 1.00 61.14 H new ATOM 0 HB2 TYR A 32 14.380 -4.432 -9.827 1.00 42.23 H new ATOM 0 HB3 TYR A 32 13.023 -3.328 -9.721 1.00 42.23 H new ATOM 0 HD1 TYR A 32 12.200 -3.695 -12.727 1.00 31.24 H new ATOM 0 HD2 TYR A 32 13.050 -6.447 -9.586 1.00 41.51 H new ATOM 0 HE1 TYR A 32 10.753 -5.364 -13.798 1.00 53.12 H new ATOM 0 HE2 TYR A 32 11.608 -8.119 -10.659 1.00 11.05 H new ATOM 0 HH TYR A 32 10.280 -8.597 -12.357 1.00 74.15 H new ATOM 486 N TYR A 33 16.260 -2.202 -10.195 1.00 65.04 N ATOM 487 CA TYR A 33 17.076 -1.247 -9.455 1.00 41.31 C ATOM 488 C TYR A 33 17.505 -0.088 -10.350 1.00 1.10 C ATOM 489 O TYR A 33 17.794 1.009 -9.871 1.00 32.22 O ATOM 490 CB TYR A 33 18.309 -1.940 -8.873 1.00 62.14 C ATOM 491 CG TYR A 33 19.096 -1.074 -7.916 1.00 15.15 C ATOM 492 CD1 TYR A 33 20.004 -0.133 -8.385 1.00 21.11 C ATOM 493 CD2 TYR A 33 18.931 -1.197 -6.541 1.00 51.35 C ATOM 494 CE1 TYR A 33 20.725 0.660 -7.514 1.00 4.14 C ATOM 495 CE2 TYR A 33 19.647 -0.407 -5.663 1.00 13.21 C ATOM 496 CZ TYR A 33 20.543 0.520 -6.154 1.00 32.13 C ATOM 497 OH TYR A 33 21.259 1.308 -5.282 1.00 33.33 O ATOM 0 H TYR A 33 16.694 -3.116 -10.326 1.00 65.04 H new ATOM 0 HA TYR A 33 16.473 -0.848 -8.639 1.00 41.31 H new ATOM 0 HB2 TYR A 33 17.995 -2.846 -8.355 1.00 62.14 H new ATOM 0 HB3 TYR A 33 18.961 -2.249 -9.690 1.00 62.14 H new ATOM 0 HD1 TYR A 33 20.149 -0.020 -9.449 1.00 21.11 H new ATOM 0 HD2 TYR A 33 18.231 -1.922 -6.153 1.00 51.35 H new ATOM 0 HE1 TYR A 33 21.428 1.386 -7.896 1.00 4.14 H new ATOM 0 HE2 TYR A 33 19.506 -0.514 -4.598 1.00 13.21 H new ATOM 0 HH TYR A 33 21.012 1.084 -4.360 1.00 33.33 H new ATOM 507 N LYS A 34 17.544 -0.339 -11.654 1.00 70.31 N ATOM 508 CA LYS A 34 17.935 0.681 -12.619 1.00 42.31 C ATOM 509 C LYS A 34 16.725 1.490 -13.077 1.00 24.23 C ATOM 510 O LYS A 34 16.822 2.697 -13.294 1.00 15.30 O ATOM 511 CB LYS A 34 18.617 0.035 -13.827 1.00 51.35 C ATOM 512 CG LYS A 34 19.945 -0.622 -13.497 1.00 25.33 C ATOM 513 CD LYS A 34 20.934 0.377 -12.918 1.00 74.25 C ATOM 514 CE LYS A 34 21.184 1.531 -13.877 1.00 4.03 C ATOM 515 NZ LYS A 34 22.408 2.298 -13.513 1.00 60.21 N ATOM 0 H LYS A 34 17.309 -1.242 -12.067 1.00 70.31 H new ATOM 0 HA LYS A 34 18.638 1.356 -12.131 1.00 42.31 H new ATOM 0 HB2 LYS A 34 17.948 -0.712 -14.255 1.00 51.35 H new ATOM 0 HB3 LYS A 34 18.777 0.795 -14.592 1.00 51.35 H new ATOM 0 HG2 LYS A 34 19.784 -1.431 -12.784 1.00 25.33 H new ATOM 0 HG3 LYS A 34 20.364 -1.070 -14.398 1.00 25.33 H new ATOM 0 HD2 LYS A 34 20.552 0.764 -11.973 1.00 74.25 H new ATOM 0 HD3 LYS A 34 21.876 -0.126 -12.699 1.00 74.25 H new ATOM 0 HE2 LYS A 34 21.285 1.145 -14.891 1.00 4.03 H new ATOM 0 HE3 LYS A 34 20.323 2.199 -13.874 1.00 4.03 H new ATOM 0 HZ1 LYS A 34 22.544 3.076 -14.190 1.00 60.21 H new ATOM 0 HZ2 LYS A 34 22.301 2.688 -12.555 1.00 60.21 H new ATOM 0 HZ3 LYS A 34 23.234 1.667 -13.540 1.00 60.21 H new ATOM 529 N GLN A 35 15.589 0.816 -13.219 1.00 53.03 N ATOM 530 CA GLN A 35 14.361 1.473 -13.650 1.00 55.42 C ATOM 531 C GLN A 35 13.731 2.257 -12.503 1.00 42.01 C ATOM 532 O GLN A 35 13.074 3.274 -12.721 1.00 12.33 O ATOM 533 CB GLN A 35 13.366 0.442 -14.185 1.00 73.11 C ATOM 534 CG GLN A 35 13.694 -0.052 -15.585 1.00 5.32 C ATOM 535 CD GLN A 35 13.309 0.945 -16.660 1.00 61.35 C ATOM 536 OE1 GLN A 35 12.511 1.852 -16.425 1.00 0.30 O ATOM 537 NE2 GLN A 35 13.876 0.781 -17.850 1.00 74.52 N ATOM 0 H GLN A 35 15.493 -0.184 -13.042 1.00 53.03 H new ATOM 0 HA GLN A 35 14.614 2.171 -14.448 1.00 55.42 H new ATOM 0 HB2 GLN A 35 13.338 -0.410 -13.506 1.00 73.11 H new ATOM 0 HB3 GLN A 35 12.368 0.880 -14.188 1.00 73.11 H new ATOM 0 HG2 GLN A 35 14.762 -0.259 -15.652 1.00 5.32 H new ATOM 0 HG3 GLN A 35 13.175 -0.993 -15.765 1.00 5.32 H new ATOM 0 HE21 GLN A 35 14.532 0.015 -18.001 1.00 74.52 H new ATOM 0 HE22 GLN A 35 13.655 1.421 -18.613 1.00 74.52 H new ATOM 546 N ALA A 36 13.937 1.776 -11.281 1.00 50.04 N ATOM 547 CA ALA A 36 13.391 2.433 -10.100 1.00 62.50 C ATOM 548 C ALA A 36 14.303 3.559 -9.627 1.00 44.44 C ATOM 549 O ALA A 36 13.948 4.327 -8.733 1.00 14.14 O ATOM 550 CB ALA A 36 13.178 1.420 -8.984 1.00 65.15 C ATOM 0 H ALA A 36 14.478 0.934 -11.083 1.00 50.04 H new ATOM 0 HA ALA A 36 12.429 2.869 -10.369 1.00 62.50 H new ATOM 0 HB1 ALA A 36 12.770 1.924 -8.108 1.00 65.15 H new ATOM 0 HB2 ALA A 36 12.481 0.652 -9.318 1.00 65.15 H new ATOM 0 HB3 ALA A 36 14.131 0.958 -8.726 1.00 65.15 H new ATOM 556 N THR A 37 15.483 3.653 -10.234 1.00 11.55 N ATOM 557 CA THR A 37 16.447 4.685 -9.873 1.00 41.34 C ATOM 558 C THR A 37 16.609 5.703 -10.997 1.00 20.21 C ATOM 559 O THR A 37 16.477 6.908 -10.781 1.00 21.52 O ATOM 560 CB THR A 37 17.824 4.077 -9.544 1.00 53.53 C ATOM 561 OG1 THR A 37 17.711 3.185 -8.430 1.00 65.23 O ATOM 562 CG2 THR A 37 18.835 5.169 -9.226 1.00 70.44 C ATOM 0 H THR A 37 15.793 3.027 -10.977 1.00 11.55 H new ATOM 0 HA THR A 37 16.058 5.185 -8.986 1.00 41.34 H new ATOM 0 HB THR A 37 18.172 3.525 -10.417 1.00 53.53 H new ATOM 0 HG1 THR A 37 18.076 2.309 -8.674 1.00 65.23 H new ATOM 0 HG21 THR A 37 19.800 4.716 -8.997 1.00 70.44 H new ATOM 0 HG22 THR A 37 18.940 5.830 -10.087 1.00 70.44 H new ATOM 0 HG23 THR A 37 18.491 5.744 -8.367 1.00 70.44 H new ATOM 570 N VAL A 38 16.895 5.211 -12.198 1.00 61.41 N ATOM 571 CA VAL A 38 17.073 6.077 -13.357 1.00 2.51 C ATOM 572 C VAL A 38 15.732 6.427 -13.993 1.00 5.44 C ATOM 573 O VAL A 38 15.310 7.583 -13.980 1.00 64.13 O ATOM 574 CB VAL A 38 17.975 5.419 -14.417 1.00 64.33 C ATOM 575 CG1 VAL A 38 18.115 6.320 -15.634 1.00 51.25 C ATOM 576 CG2 VAL A 38 19.339 5.091 -13.827 1.00 53.21 C ATOM 0 H VAL A 38 17.008 4.216 -12.394 1.00 61.41 H new ATOM 0 HA VAL A 38 17.552 6.989 -13.000 1.00 2.51 H new ATOM 0 HB VAL A 38 17.509 4.487 -14.737 1.00 64.33 H new ATOM 0 HG11 VAL A 38 18.756 5.838 -16.372 1.00 51.25 H new ATOM 0 HG12 VAL A 38 17.132 6.499 -16.069 1.00 51.25 H new ATOM 0 HG13 VAL A 38 18.558 7.270 -15.334 1.00 51.25 H new ATOM 0 HG21 VAL A 38 19.963 4.627 -14.590 1.00 53.21 H new ATOM 0 HG22 VAL A 38 19.814 6.008 -13.478 1.00 53.21 H new ATOM 0 HG23 VAL A 38 19.218 4.404 -12.990 1.00 53.21 H new ATOM 586 N GLY A 39 15.066 5.420 -14.548 1.00 70.22 N ATOM 587 CA GLY A 39 13.779 5.641 -15.181 1.00 40.22 C ATOM 588 C GLY A 39 13.651 4.914 -16.505 1.00 22.11 C ATOM 589 O GLY A 39 12.578 4.417 -16.847 1.00 52.41 O ATOM 0 H GLY A 39 15.395 4.455 -14.571 1.00 70.22 H new ATOM 0 HA2 GLY A 39 12.986 5.310 -14.510 1.00 40.22 H new ATOM 0 HA3 GLY A 39 13.635 6.710 -15.341 1.00 40.22 H new ATOM 593 N ASP A 40 14.748 4.852 -17.252 1.00 72.32 N ATOM 594 CA ASP A 40 14.754 4.180 -18.547 1.00 11.23 C ATOM 595 C ASP A 40 16.172 3.784 -18.946 1.00 73.25 C ATOM 596 O ASP A 40 17.148 4.344 -18.447 1.00 12.24 O ATOM 597 CB ASP A 40 14.143 5.085 -19.618 1.00 11.45 C ATOM 598 CG ASP A 40 14.932 6.365 -19.813 1.00 13.34 C ATOM 599 OD1 ASP A 40 16.100 6.282 -20.247 1.00 52.40 O ATOM 600 OD2 ASP A 40 14.381 7.450 -19.532 1.00 34.13 O ATOM 0 H ASP A 40 15.644 5.259 -16.984 1.00 72.32 H new ATOM 0 HA ASP A 40 14.153 3.275 -18.462 1.00 11.23 H new ATOM 0 HB2 ASP A 40 14.095 4.544 -20.563 1.00 11.45 H new ATOM 0 HB3 ASP A 40 13.118 5.332 -19.340 1.00 11.45 H new ATOM 605 N CYS A 41 16.277 2.815 -19.849 1.00 21.33 N ATOM 606 CA CYS A 41 17.576 2.342 -20.314 1.00 70.44 C ATOM 607 C CYS A 41 18.230 3.367 -21.234 1.00 45.30 C ATOM 608 O CYS A 41 17.551 4.063 -21.987 1.00 51.03 O ATOM 609 CB CYS A 41 17.424 1.007 -21.046 1.00 33.04 C ATOM 610 SG CYS A 41 18.985 0.295 -21.615 1.00 61.11 S ATOM 0 H CYS A 41 15.479 2.342 -20.273 1.00 21.33 H new ATOM 0 HA CYS A 41 18.216 2.200 -19.443 1.00 70.44 H new ATOM 0 HB2 CYS A 41 16.933 0.295 -20.383 1.00 33.04 H new ATOM 0 HB3 CYS A 41 16.767 1.148 -21.904 1.00 33.04 H new ATOM 0 HG CYS A 41 19.755 0.065 -20.593 1.00 61.11 H new ATOM 616 N ASN A 42 19.555 3.456 -21.165 1.00 52.31 N ATOM 617 CA ASN A 42 20.302 4.399 -21.990 1.00 55.10 C ATOM 618 C ASN A 42 21.802 4.144 -21.885 1.00 1.11 C ATOM 619 O ASN A 42 22.554 4.989 -21.399 1.00 23.12 O ATOM 620 CB ASN A 42 19.986 5.836 -21.571 1.00 5.43 C ATOM 621 CG ASN A 42 20.033 6.023 -20.066 1.00 55.15 C ATOM 622 OD1 ASN A 42 18.904 6.412 -19.484 1.00 43.11 O flip ATOM 623 ND2 ASN A 42 21.070 5.820 -19.436 1.00 22.31 N flip ATOM 0 H ASN A 42 20.133 2.887 -20.547 1.00 52.31 H new ATOM 0 HA ASN A 42 20.000 4.255 -23.027 1.00 55.10 H new ATOM 0 HB2 ASN A 42 20.699 6.514 -22.041 1.00 5.43 H new ATOM 0 HB3 ASN A 42 18.997 6.109 -21.938 1.00 5.43 H new ATOM 0 HD21 ASN A 42 21.914 5.522 -19.925 1.00 22.31 H new ATOM 0 HD22 ASN A 42 21.086 5.950 -18.424 1.00 22.31 H new ATOM 630 N LYS A 43 22.231 2.974 -22.345 1.00 23.35 N ATOM 631 CA LYS A 43 23.642 2.606 -22.305 1.00 12.31 C ATOM 632 C LYS A 43 24.077 1.975 -23.624 1.00 11.33 C ATOM 633 O LYS A 43 23.260 1.491 -24.407 1.00 50.33 O ATOM 634 CB LYS A 43 23.905 1.636 -21.151 1.00 71.55 C ATOM 635 CG LYS A 43 24.364 2.318 -19.875 1.00 3.22 C ATOM 636 CD LYS A 43 25.415 1.495 -19.149 1.00 31.50 C ATOM 637 CE LYS A 43 24.877 0.128 -18.754 1.00 72.22 C ATOM 638 NZ LYS A 43 25.333 -0.277 -17.396 1.00 4.13 N ATOM 0 H LYS A 43 21.622 2.263 -22.750 1.00 23.35 H new ATOM 0 HA LYS A 43 24.224 3.514 -22.148 1.00 12.31 H new ATOM 0 HB2 LYS A 43 22.994 1.074 -20.945 1.00 71.55 H new ATOM 0 HB3 LYS A 43 24.661 0.914 -21.459 1.00 71.55 H new ATOM 0 HG2 LYS A 43 24.771 3.301 -20.113 1.00 3.22 H new ATOM 0 HG3 LYS A 43 23.508 2.478 -19.219 1.00 3.22 H new ATOM 0 HD2 LYS A 43 26.289 1.372 -19.789 1.00 31.50 H new ATOM 0 HD3 LYS A 43 25.745 2.029 -18.258 1.00 31.50 H new ATOM 0 HE2 LYS A 43 23.787 0.145 -18.781 1.00 72.22 H new ATOM 0 HE3 LYS A 43 25.202 -0.615 -19.483 1.00 72.22 H new ATOM 0 HZ1 LYS A 43 24.945 -1.214 -17.164 1.00 4.13 H new ATOM 0 HZ2 LYS A 43 26.372 -0.318 -17.377 1.00 4.13 H new ATOM 0 HZ3 LYS A 43 25.001 0.418 -16.697 1.00 4.13 H new ATOM 652 N PRO A 44 25.394 1.978 -23.876 1.00 3.22 N ATOM 653 CA PRO A 44 25.967 1.408 -25.099 1.00 25.24 C ATOM 654 C PRO A 44 25.865 -0.113 -25.132 1.00 60.30 C ATOM 655 O PRO A 44 25.857 -0.769 -24.090 1.00 2.32 O ATOM 656 CB PRO A 44 27.434 1.844 -25.040 1.00 34.21 C ATOM 657 CG PRO A 44 27.712 2.044 -23.590 1.00 55.31 C ATOM 658 CD PRO A 44 26.426 2.538 -22.986 1.00 72.05 C ATOM 0 HA PRO A 44 25.442 1.748 -25.992 1.00 25.24 H new ATOM 0 HB2 PRO A 44 28.090 1.086 -25.468 1.00 34.21 H new ATOM 0 HB3 PRO A 44 27.597 2.762 -25.605 1.00 34.21 H new ATOM 0 HG2 PRO A 44 28.031 1.113 -23.122 1.00 55.31 H new ATOM 0 HG3 PRO A 44 28.515 2.766 -23.443 1.00 55.31 H new ATOM 0 HD2 PRO A 44 26.304 2.190 -21.960 1.00 72.05 H new ATOM 0 HD3 PRO A 44 26.386 3.627 -22.960 1.00 72.05 H new ATOM 666 N LYS A 45 25.787 -0.670 -26.336 1.00 30.01 N ATOM 667 CA LYS A 45 25.687 -2.115 -26.506 1.00 52.43 C ATOM 668 C LYS A 45 26.935 -2.813 -25.975 1.00 54.04 C ATOM 669 O LYS A 45 28.064 -2.394 -26.227 1.00 45.31 O ATOM 670 CB LYS A 45 25.484 -2.462 -27.983 1.00 45.20 C ATOM 671 CG LYS A 45 25.270 -3.944 -28.235 1.00 61.24 C ATOM 672 CD LYS A 45 23.798 -4.314 -28.171 1.00 13.34 C ATOM 673 CE LYS A 45 23.570 -5.768 -28.555 1.00 5.25 C ATOM 674 NZ LYS A 45 24.368 -6.696 -27.707 1.00 21.45 N ATOM 0 H LYS A 45 25.791 -0.142 -27.209 1.00 30.01 H new ATOM 0 HA LYS A 45 24.827 -2.465 -25.935 1.00 52.43 H new ATOM 0 HB2 LYS A 45 24.624 -1.910 -28.363 1.00 45.20 H new ATOM 0 HB3 LYS A 45 26.353 -2.127 -28.549 1.00 45.20 H new ATOM 0 HG2 LYS A 45 25.670 -4.209 -29.214 1.00 61.24 H new ATOM 0 HG3 LYS A 45 25.824 -4.523 -27.496 1.00 61.24 H new ATOM 0 HD2 LYS A 45 23.422 -4.140 -27.163 1.00 13.34 H new ATOM 0 HD3 LYS A 45 23.230 -3.667 -28.839 1.00 13.34 H new ATOM 0 HE2 LYS A 45 22.511 -6.008 -28.459 1.00 5.25 H new ATOM 0 HE3 LYS A 45 23.836 -5.913 -29.602 1.00 5.25 H new ATOM 0 HZ1 LYS A 45 24.122 -7.679 -27.942 1.00 21.45 H new ATOM 0 HZ2 LYS A 45 25.381 -6.541 -27.882 1.00 21.45 H new ATOM 0 HZ3 LYS A 45 24.158 -6.517 -26.704 1.00 21.45 H new ATOM 688 N PRO A 46 26.728 -3.905 -25.224 1.00 43.20 N ATOM 689 CA PRO A 46 27.825 -4.685 -24.644 1.00 22.41 C ATOM 690 C PRO A 46 28.620 -5.444 -25.702 1.00 12.52 C ATOM 691 O PRO A 46 28.503 -5.169 -26.895 1.00 74.13 O ATOM 692 CB PRO A 46 27.109 -5.664 -23.710 1.00 11.12 C ATOM 693 CG PRO A 46 25.739 -5.799 -24.281 1.00 4.13 C ATOM 694 CD PRO A 46 25.408 -4.462 -24.883 1.00 43.34 C ATOM 0 HA PRO A 46 28.555 -4.050 -24.141 1.00 22.41 H new ATOM 0 HB2 PRO A 46 27.621 -6.626 -23.677 1.00 11.12 H new ATOM 0 HB3 PRO A 46 27.077 -5.285 -22.689 1.00 11.12 H new ATOM 0 HG2 PRO A 46 25.706 -6.585 -25.035 1.00 4.13 H new ATOM 0 HG3 PRO A 46 25.019 -6.068 -23.508 1.00 4.13 H new ATOM 0 HD2 PRO A 46 24.775 -4.564 -25.764 1.00 43.34 H new ATOM 0 HD3 PRO A 46 24.873 -3.825 -24.178 1.00 43.34 H new ATOM 702 N GLY A 47 29.429 -6.400 -25.255 1.00 52.35 N ATOM 703 CA GLY A 47 30.231 -7.183 -26.177 1.00 73.02 C ATOM 704 C GLY A 47 29.384 -8.025 -27.111 1.00 21.22 C ATOM 705 O GLY A 47 28.254 -7.661 -27.433 1.00 14.24 O ATOM 0 H GLY A 47 29.543 -6.646 -24.272 1.00 52.35 H new ATOM 0 HA2 GLY A 47 30.860 -6.514 -26.765 1.00 73.02 H new ATOM 0 HA3 GLY A 47 30.899 -7.833 -25.611 1.00 73.02 H new ATOM 709 N MET A 48 29.933 -9.154 -27.548 1.00 53.12 N ATOM 710 CA MET A 48 29.220 -10.050 -28.451 1.00 54.24 C ATOM 711 C MET A 48 29.406 -11.505 -28.033 1.00 13.22 C ATOM 712 O MET A 48 28.482 -12.314 -28.135 1.00 3.41 O ATOM 713 CB MET A 48 29.707 -9.854 -29.888 1.00 40.13 C ATOM 714 CG MET A 48 28.678 -10.244 -30.937 1.00 44.34 C ATOM 715 SD MET A 48 29.193 -9.809 -32.610 1.00 12.32 S ATOM 716 CE MET A 48 28.454 -11.143 -33.549 1.00 53.31 C ATOM 0 H MET A 48 30.868 -9.470 -27.292 1.00 53.12 H new ATOM 0 HA MET A 48 28.158 -9.808 -28.398 1.00 54.24 H new ATOM 0 HB2 MET A 48 29.981 -8.809 -30.031 1.00 40.13 H new ATOM 0 HB3 MET A 48 30.611 -10.444 -30.040 1.00 40.13 H new ATOM 0 HG2 MET A 48 28.499 -11.318 -30.884 1.00 44.34 H new ATOM 0 HG3 MET A 48 27.732 -9.752 -30.713 1.00 44.34 H new ATOM 0 HE1 MET A 48 28.684 -11.014 -34.607 1.00 53.31 H new ATOM 0 HE2 MET A 48 28.854 -12.096 -33.204 1.00 53.31 H new ATOM 0 HE3 MET A 48 27.373 -11.131 -33.409 1.00 53.31 H new ATOM 726 N LEU A 49 30.604 -11.832 -27.562 1.00 41.41 N ATOM 727 CA LEU A 49 30.911 -13.190 -27.128 1.00 62.11 C ATOM 728 C LEU A 49 30.114 -13.557 -25.881 1.00 13.44 C ATOM 729 O LEU A 49 30.112 -14.710 -25.451 1.00 14.20 O ATOM 730 CB LEU A 49 32.409 -13.331 -26.850 1.00 33.33 C ATOM 731 CG LEU A 49 32.907 -12.729 -25.536 1.00 11.34 C ATOM 732 CD1 LEU A 49 32.408 -11.301 -25.380 1.00 54.31 C ATOM 733 CD2 LEU A 49 32.464 -13.582 -24.356 1.00 3.11 C ATOM 0 H LEU A 49 31.379 -11.175 -27.471 1.00 41.41 H new ATOM 0 HA LEU A 49 30.630 -13.873 -27.930 1.00 62.11 H new ATOM 0 HB2 LEU A 49 32.662 -14.391 -26.860 1.00 33.33 H new ATOM 0 HB3 LEU A 49 32.956 -12.866 -27.670 1.00 33.33 H new ATOM 0 HG LEU A 49 33.997 -12.711 -25.557 1.00 11.34 H new ATOM 0 HD11 LEU A 49 32.772 -10.889 -24.439 1.00 54.31 H new ATOM 0 HD12 LEU A 49 32.775 -10.695 -26.208 1.00 54.31 H new ATOM 0 HD13 LEU A 49 31.318 -11.294 -25.381 1.00 54.31 H new ATOM 0 HD21 LEU A 49 32.828 -13.138 -23.429 1.00 3.11 H new ATOM 0 HD22 LEU A 49 31.375 -13.632 -24.332 1.00 3.11 H new ATOM 0 HD23 LEU A 49 32.871 -14.588 -24.461 1.00 3.11 H new ATOM 745 N GLN A 50 29.436 -12.568 -25.306 1.00 5.12 N ATOM 746 CA GLN A 50 28.634 -12.788 -24.109 1.00 13.55 C ATOM 747 C GLN A 50 27.157 -12.932 -24.462 1.00 22.00 C ATOM 748 O GLN A 50 26.637 -12.207 -25.311 1.00 44.03 O ATOM 749 CB GLN A 50 28.824 -11.633 -23.123 1.00 32.43 C ATOM 750 CG GLN A 50 29.957 -11.858 -22.135 1.00 0.34 C ATOM 751 CD GLN A 50 29.836 -10.986 -20.900 1.00 31.40 C ATOM 752 OE1 GLN A 50 30.104 -11.431 -19.783 1.00 41.15 O ATOM 753 NE2 GLN A 50 29.430 -9.737 -21.094 1.00 61.03 N ATOM 0 H GLN A 50 29.427 -11.608 -25.650 1.00 5.12 H new ATOM 0 HA GLN A 50 28.970 -13.714 -23.643 1.00 13.55 H new ATOM 0 HB2 GLN A 50 29.017 -10.717 -23.682 1.00 32.43 H new ATOM 0 HB3 GLN A 50 27.896 -11.481 -22.571 1.00 32.43 H new ATOM 0 HG2 GLN A 50 29.970 -12.906 -21.835 1.00 0.34 H new ATOM 0 HG3 GLN A 50 30.908 -11.655 -22.627 1.00 0.34 H new ATOM 0 HE21 GLN A 50 29.219 -9.410 -22.037 1.00 61.03 H new ATOM 0 HE22 GLN A 50 29.329 -9.104 -20.300 1.00 61.03 H new ATOM 762 N LEU A 51 26.486 -13.872 -23.806 1.00 24.40 N ATOM 763 CA LEU A 51 25.068 -14.113 -24.051 1.00 45.41 C ATOM 764 C LEU A 51 24.205 -13.301 -23.091 1.00 33.33 C ATOM 765 O LEU A 51 23.359 -12.515 -23.516 1.00 11.01 O ATOM 766 CB LEU A 51 24.751 -15.602 -23.906 1.00 51.05 C ATOM 767 CG LEU A 51 25.611 -16.555 -24.737 1.00 31.31 C ATOM 768 CD1 LEU A 51 26.077 -17.729 -23.890 1.00 34.42 C ATOM 769 CD2 LEU A 51 24.840 -17.046 -25.954 1.00 2.11 C ATOM 0 H LEU A 51 26.901 -14.480 -23.100 1.00 24.40 H new ATOM 0 HA LEU A 51 24.841 -13.798 -25.070 1.00 45.41 H new ATOM 0 HB2 LEU A 51 24.854 -15.874 -22.856 1.00 51.05 H new ATOM 0 HB3 LEU A 51 23.706 -15.759 -24.175 1.00 51.05 H new ATOM 0 HG LEU A 51 26.490 -16.012 -25.084 1.00 31.31 H new ATOM 0 HD11 LEU A 51 26.688 -18.397 -24.498 1.00 34.42 H new ATOM 0 HD12 LEU A 51 26.667 -17.361 -23.051 1.00 34.42 H new ATOM 0 HD13 LEU A 51 25.211 -18.272 -23.513 1.00 34.42 H new ATOM 0 HD21 LEU A 51 25.468 -17.723 -26.534 1.00 2.11 H new ATOM 0 HD22 LEU A 51 23.943 -17.572 -25.628 1.00 2.11 H new ATOM 0 HD23 LEU A 51 24.557 -16.195 -26.573 1.00 2.11 H new ATOM 781 N GLN A 52 24.426 -13.497 -21.795 1.00 11.12 N ATOM 782 CA GLN A 52 23.668 -12.782 -20.775 1.00 3.24 C ATOM 783 C GLN A 52 23.691 -11.279 -21.033 1.00 54.05 C ATOM 784 O GLN A 52 22.711 -10.581 -20.775 1.00 32.04 O ATOM 785 CB GLN A 52 24.235 -13.080 -19.386 1.00 30.55 C ATOM 786 CG GLN A 52 23.839 -14.446 -18.848 1.00 24.21 C ATOM 787 CD GLN A 52 24.344 -15.583 -19.714 1.00 62.14 C ATOM 788 OE1 GLN A 52 25.616 -15.520 -20.092 1.00 54.22 O flip ATOM 789 NE2 GLN A 52 23.600 -16.508 -20.041 1.00 73.50 N flip ATOM 0 H GLN A 52 25.123 -14.144 -21.427 1.00 11.12 H new ATOM 0 HA GLN A 52 22.634 -13.125 -20.820 1.00 3.24 H new ATOM 0 HB2 GLN A 52 25.322 -13.015 -19.425 1.00 30.55 H new ATOM 0 HB3 GLN A 52 23.895 -12.312 -18.691 1.00 30.55 H new ATOM 0 HG2 GLN A 52 24.231 -14.562 -17.838 1.00 24.21 H new ATOM 0 HG3 GLN A 52 22.753 -14.503 -18.777 1.00 24.21 H new ATOM 0 HE21 GLN A 52 22.629 -16.517 -19.728 1.00 73.50 H new ATOM 0 HE22 GLN A 52 23.954 -17.266 -20.625 1.00 73.50 H new ATOM 798 N GLU A 53 24.815 -10.788 -21.545 1.00 60.14 N ATOM 799 CA GLU A 53 24.964 -9.367 -21.838 1.00 20.33 C ATOM 800 C GLU A 53 23.764 -8.844 -22.622 1.00 30.40 C ATOM 801 O GLU A 53 23.293 -7.731 -22.390 1.00 44.40 O ATOM 802 CB GLU A 53 26.251 -9.119 -22.627 1.00 51.43 C ATOM 803 CG GLU A 53 26.120 -9.413 -24.112 1.00 42.53 C ATOM 804 CD GLU A 53 27.438 -9.281 -24.851 1.00 52.22 C ATOM 805 OE1 GLU A 53 28.375 -8.677 -24.288 1.00 62.32 O ATOM 806 OE2 GLU A 53 27.532 -9.780 -25.992 1.00 34.43 O ATOM 0 H GLU A 53 25.635 -11.353 -21.765 1.00 60.14 H new ATOM 0 HA GLU A 53 25.018 -8.830 -20.891 1.00 20.33 H new ATOM 0 HB2 GLU A 53 26.553 -8.080 -22.496 1.00 51.43 H new ATOM 0 HB3 GLU A 53 27.047 -9.737 -22.212 1.00 51.43 H new ATOM 0 HG2 GLU A 53 25.732 -10.423 -24.246 1.00 42.53 H new ATOM 0 HG3 GLU A 53 25.392 -8.731 -24.551 1.00 42.53 H new ATOM 813 N LYS A 54 23.273 -9.656 -23.552 1.00 65.34 N ATOM 814 CA LYS A 54 22.128 -9.278 -24.372 1.00 22.42 C ATOM 815 C LYS A 54 20.848 -9.260 -23.542 1.00 62.14 C ATOM 816 O LYS A 54 20.035 -8.342 -23.658 1.00 24.41 O ATOM 817 CB LYS A 54 21.974 -10.247 -25.546 1.00 74.05 C ATOM 818 CG LYS A 54 23.013 -10.052 -26.636 1.00 63.14 C ATOM 819 CD LYS A 54 24.093 -11.119 -26.574 1.00 24.00 C ATOM 820 CE LYS A 54 23.569 -12.471 -27.033 1.00 13.11 C ATOM 821 NZ LYS A 54 23.092 -12.431 -28.443 1.00 73.10 N ATOM 0 H LYS A 54 23.651 -10.581 -23.757 1.00 65.34 H new ATOM 0 HA LYS A 54 22.304 -8.274 -24.758 1.00 22.42 H new ATOM 0 HB2 LYS A 54 22.038 -11.269 -25.173 1.00 74.05 H new ATOM 0 HB3 LYS A 54 20.980 -10.127 -25.977 1.00 74.05 H new ATOM 0 HG2 LYS A 54 22.528 -10.080 -27.612 1.00 63.14 H new ATOM 0 HG3 LYS A 54 23.468 -9.067 -26.535 1.00 63.14 H new ATOM 0 HD2 LYS A 54 24.935 -10.823 -27.200 1.00 24.00 H new ATOM 0 HD3 LYS A 54 24.467 -11.200 -25.554 1.00 24.00 H new ATOM 0 HE2 LYS A 54 24.357 -13.218 -26.937 1.00 13.11 H new ATOM 0 HE3 LYS A 54 22.753 -12.784 -26.382 1.00 13.11 H new ATOM 0 HZ1 LYS A 54 23.048 -13.398 -28.822 1.00 73.10 H new ATOM 0 HZ2 LYS A 54 22.145 -12.002 -28.477 1.00 73.10 H new ATOM 0 HZ3 LYS A 54 23.749 -11.864 -29.016 1.00 73.10 H new ATOM 835 N TYR A 55 20.676 -10.278 -22.706 1.00 41.42 N ATOM 836 CA TYR A 55 19.494 -10.378 -21.858 1.00 63.41 C ATOM 837 C TYR A 55 19.477 -9.266 -20.814 1.00 34.31 C ATOM 838 O TYR A 55 18.415 -8.853 -20.346 1.00 60.54 O ATOM 839 CB TYR A 55 19.451 -11.743 -21.167 1.00 43.54 C ATOM 840 CG TYR A 55 19.681 -12.905 -22.107 1.00 55.42 C ATOM 841 CD1 TYR A 55 19.205 -12.872 -23.412 1.00 73.13 C ATOM 842 CD2 TYR A 55 20.372 -14.035 -21.690 1.00 72.31 C ATOM 843 CE1 TYR A 55 19.411 -13.932 -24.274 1.00 50.34 C ATOM 844 CE2 TYR A 55 20.584 -15.099 -22.546 1.00 1.23 C ATOM 845 CZ TYR A 55 20.102 -15.042 -23.837 1.00 34.44 C ATOM 846 OH TYR A 55 20.310 -16.100 -24.692 1.00 32.44 O ATOM 0 H TYR A 55 21.340 -11.045 -22.597 1.00 41.42 H new ATOM 0 HA TYR A 55 18.613 -10.270 -22.491 1.00 63.41 H new ATOM 0 HB2 TYR A 55 20.206 -11.767 -20.381 1.00 43.54 H new ATOM 0 HB3 TYR A 55 18.482 -11.865 -20.682 1.00 43.54 H new ATOM 0 HD1 TYR A 55 18.665 -12.003 -23.758 1.00 73.13 H new ATOM 0 HD2 TYR A 55 20.750 -14.083 -20.680 1.00 72.31 H new ATOM 0 HE1 TYR A 55 19.033 -13.891 -25.285 1.00 50.34 H new ATOM 0 HE2 TYR A 55 21.124 -15.970 -22.206 1.00 1.23 H new ATOM 0 HH TYR A 55 20.814 -16.801 -24.228 1.00 32.44 H new ATOM 856 N LYS A 56 20.661 -8.784 -20.452 1.00 71.44 N ATOM 857 CA LYS A 56 20.785 -7.719 -19.465 1.00 52.42 C ATOM 858 C LYS A 56 20.636 -6.349 -20.121 1.00 63.40 C ATOM 859 O LYS A 56 20.286 -5.370 -19.462 1.00 65.23 O ATOM 860 CB LYS A 56 22.136 -7.810 -18.752 1.00 73.40 C ATOM 861 CG LYS A 56 22.263 -9.022 -17.845 1.00 3.34 C ATOM 862 CD LYS A 56 23.698 -9.227 -17.387 1.00 72.23 C ATOM 863 CE LYS A 56 24.074 -8.256 -16.279 1.00 31.02 C ATOM 864 NZ LYS A 56 23.418 -8.606 -14.989 1.00 15.44 N ATOM 0 H LYS A 56 21.549 -9.115 -20.828 1.00 71.44 H new ATOM 0 HA LYS A 56 19.986 -7.841 -18.734 1.00 52.42 H new ATOM 0 HB2 LYS A 56 22.930 -7.840 -19.498 1.00 73.40 H new ATOM 0 HB3 LYS A 56 22.287 -6.907 -18.161 1.00 73.40 H new ATOM 0 HG2 LYS A 56 21.617 -8.897 -16.976 1.00 3.34 H new ATOM 0 HG3 LYS A 56 21.918 -9.911 -18.373 1.00 3.34 H new ATOM 0 HD2 LYS A 56 23.826 -10.250 -17.034 1.00 72.23 H new ATOM 0 HD3 LYS A 56 24.373 -9.095 -18.232 1.00 72.23 H new ATOM 0 HE2 LYS A 56 25.156 -8.256 -16.148 1.00 31.02 H new ATOM 0 HE3 LYS A 56 23.788 -7.245 -16.569 1.00 31.02 H new ATOM 0 HZ1 LYS A 56 22.860 -7.796 -14.652 1.00 15.44 H new ATOM 0 HZ2 LYS A 56 22.791 -9.424 -15.129 1.00 15.44 H new ATOM 0 HZ3 LYS A 56 24.144 -8.843 -14.283 1.00 15.44 H new ATOM 878 N TRP A 57 20.903 -6.289 -21.421 1.00 32.44 N ATOM 879 CA TRP A 57 20.797 -5.040 -22.165 1.00 40.34 C ATOM 880 C TRP A 57 19.403 -4.877 -22.760 1.00 53.13 C ATOM 881 O TRP A 57 18.935 -3.758 -22.969 1.00 70.25 O ATOM 882 CB TRP A 57 21.848 -4.994 -23.276 1.00 54.31 C ATOM 883 CG TRP A 57 22.115 -3.609 -23.784 1.00 74.11 C ATOM 884 CD1 TRP A 57 22.842 -2.634 -23.163 1.00 70.40 C ATOM 885 CD2 TRP A 57 21.655 -3.045 -25.017 1.00 62.44 C ATOM 886 NE1 TRP A 57 22.862 -1.498 -23.936 1.00 24.50 N ATOM 887 CE2 TRP A 57 22.143 -1.725 -25.079 1.00 75.10 C ATOM 888 CE3 TRP A 57 20.882 -3.528 -26.076 1.00 54.25 C ATOM 889 CZ2 TRP A 57 21.879 -0.884 -26.157 1.00 62.42 C ATOM 890 CZ3 TRP A 57 20.621 -2.692 -27.146 1.00 30.04 C ATOM 891 CH2 TRP A 57 21.119 -1.383 -27.180 1.00 41.21 C ATOM 0 H TRP A 57 21.194 -7.090 -21.981 1.00 32.44 H new ATOM 0 HA TRP A 57 20.974 -4.217 -21.472 1.00 40.34 H new ATOM 0 HB2 TRP A 57 22.779 -5.423 -22.904 1.00 54.31 H new ATOM 0 HB3 TRP A 57 21.518 -5.620 -24.105 1.00 54.31 H new ATOM 0 HD1 TRP A 57 23.330 -2.740 -22.205 1.00 70.40 H new ATOM 0 HE1 TRP A 57 23.336 -0.627 -23.697 1.00 24.50 H new ATOM 0 HE3 TRP A 57 20.495 -4.536 -26.059 1.00 54.25 H new ATOM 0 HZ2 TRP A 57 22.260 0.126 -26.185 1.00 62.42 H new ATOM 0 HZ3 TRP A 57 20.023 -3.054 -27.969 1.00 30.04 H new ATOM 0 HH2 TRP A 57 20.899 -0.755 -28.031 1.00 41.21 H new ATOM 902 N GLU A 58 18.744 -6.000 -23.030 1.00 42.33 N ATOM 903 CA GLU A 58 17.403 -5.979 -23.602 1.00 71.20 C ATOM 904 C GLU A 58 16.349 -5.811 -22.511 1.00 40.23 C ATOM 905 O GLU A 58 15.320 -5.169 -22.721 1.00 62.34 O ATOM 906 CB GLU A 58 17.139 -7.266 -24.387 1.00 2.01 C ATOM 907 CG GLU A 58 18.045 -7.439 -25.595 1.00 11.44 C ATOM 908 CD GLU A 58 17.343 -7.121 -26.901 1.00 33.14 C ATOM 909 OE1 GLU A 58 17.307 -5.933 -27.282 1.00 14.32 O ATOM 910 OE2 GLU A 58 16.829 -8.062 -27.541 1.00 63.34 O ATOM 0 H GLU A 58 19.117 -6.934 -22.862 1.00 42.33 H new ATOM 0 HA GLU A 58 17.338 -5.128 -24.280 1.00 71.20 H new ATOM 0 HB2 GLU A 58 17.267 -8.120 -23.722 1.00 2.01 H new ATOM 0 HB3 GLU A 58 16.101 -7.273 -24.718 1.00 2.01 H new ATOM 0 HG2 GLU A 58 18.915 -6.791 -25.488 1.00 11.44 H new ATOM 0 HG3 GLU A 58 18.413 -8.465 -25.625 1.00 11.44 H new ATOM 917 N ALA A 59 16.614 -6.393 -21.346 1.00 51.50 N ATOM 918 CA ALA A 59 15.690 -6.306 -20.222 1.00 22.22 C ATOM 919 C ALA A 59 15.487 -4.858 -19.788 1.00 23.52 C ATOM 920 O ALA A 59 14.362 -4.359 -19.766 1.00 63.22 O ATOM 921 CB ALA A 59 16.198 -7.142 -19.056 1.00 73.43 C ATOM 0 H ALA A 59 17.460 -6.929 -21.156 1.00 51.50 H new ATOM 0 HA ALA A 59 14.726 -6.699 -20.545 1.00 22.22 H new ATOM 0 HB1 ALA A 59 15.499 -7.068 -18.223 1.00 73.43 H new ATOM 0 HB2 ALA A 59 16.285 -8.183 -19.366 1.00 73.43 H new ATOM 0 HB3 ALA A 59 17.175 -6.774 -18.743 1.00 73.43 H new ATOM 927 N TRP A 60 16.582 -4.191 -19.443 1.00 10.43 N ATOM 928 CA TRP A 60 16.523 -2.799 -19.008 1.00 62.43 C ATOM 929 C TRP A 60 15.851 -1.928 -20.063 1.00 55.20 C ATOM 930 O TRP A 60 15.136 -0.982 -19.735 1.00 55.13 O ATOM 931 CB TRP A 60 17.930 -2.275 -18.717 1.00 1.21 C ATOM 932 CG TRP A 60 17.937 -0.965 -17.988 1.00 74.12 C ATOM 933 CD1 TRP A 60 16.923 -0.439 -17.240 1.00 13.41 C ATOM 934 CD2 TRP A 60 19.008 -0.016 -17.940 1.00 73.44 C ATOM 935 NE1 TRP A 60 17.299 0.781 -16.730 1.00 21.52 N ATOM 936 CE2 TRP A 60 18.574 1.062 -17.144 1.00 60.32 C ATOM 937 CE3 TRP A 60 20.291 0.027 -18.491 1.00 25.43 C ATOM 938 CZ2 TRP A 60 19.379 2.168 -16.888 1.00 1.42 C ATOM 939 CZ3 TRP A 60 21.089 1.126 -18.236 1.00 21.24 C ATOM 940 CH2 TRP A 60 20.631 2.184 -17.439 1.00 43.14 C ATOM 0 H TRP A 60 17.521 -4.590 -19.456 1.00 10.43 H new ATOM 0 HA TRP A 60 15.930 -2.754 -18.095 1.00 62.43 H new ATOM 0 HB2 TRP A 60 18.470 -3.014 -18.126 1.00 1.21 H new ATOM 0 HB3 TRP A 60 18.470 -2.162 -19.657 1.00 1.21 H new ATOM 0 HD1 TRP A 60 15.966 -0.912 -17.074 1.00 13.41 H new ATOM 0 HE1 TRP A 60 16.722 1.380 -16.139 1.00 21.52 H new ATOM 0 HE3 TRP A 60 20.653 -0.784 -19.105 1.00 25.43 H new ATOM 0 HZ2 TRP A 60 19.028 2.985 -16.276 1.00 1.42 H new ATOM 0 HZ3 TRP A 60 22.082 1.170 -18.658 1.00 21.24 H new ATOM 0 HH2 TRP A 60 21.279 3.028 -17.256 1.00 43.14 H new ATOM 951 N ASN A 61 16.084 -2.253 -21.330 1.00 64.03 N ATOM 952 CA ASN A 61 15.500 -1.498 -22.433 1.00 64.43 C ATOM 953 C ASN A 61 14.028 -1.855 -22.617 1.00 3.41 C ATOM 954 O ASN A 61 13.250 -1.064 -23.150 1.00 31.50 O ATOM 955 CB ASN A 61 16.268 -1.771 -23.728 1.00 61.53 C ATOM 956 CG ASN A 61 15.732 -0.969 -24.898 1.00 60.33 C ATOM 957 OD1 ASN A 61 16.201 0.135 -25.175 1.00 70.22 O ATOM 958 ND2 ASN A 61 14.744 -1.523 -25.591 1.00 53.35 N ATOM 0 H ASN A 61 16.673 -3.034 -21.619 1.00 64.03 H new ATOM 0 HA ASN A 61 15.571 -0.437 -22.193 1.00 64.43 H new ATOM 0 HB2 ASN A 61 17.321 -1.533 -23.580 1.00 61.53 H new ATOM 0 HB3 ASN A 61 16.212 -2.834 -23.963 1.00 61.53 H new ATOM 0 HD21 ASN A 61 14.343 -1.031 -26.389 1.00 53.35 H new ATOM 0 HD22 ASN A 61 14.387 -2.441 -25.325 1.00 53.35 H new ATOM 965 N ALA A 62 13.654 -3.049 -22.171 1.00 22.31 N ATOM 966 CA ALA A 62 12.276 -3.509 -22.283 1.00 74.33 C ATOM 967 C ALA A 62 11.359 -2.731 -21.346 1.00 11.41 C ATOM 968 O ALA A 62 10.162 -2.595 -21.603 1.00 12.13 O ATOM 969 CB ALA A 62 12.191 -5.000 -21.990 1.00 0.23 C ATOM 0 H ALA A 62 14.286 -3.716 -21.728 1.00 22.31 H new ATOM 0 HA ALA A 62 11.942 -3.331 -23.305 1.00 74.33 H new ATOM 0 HB1 ALA A 62 11.156 -5.330 -22.077 1.00 0.23 H new ATOM 0 HB2 ALA A 62 12.807 -5.547 -22.704 1.00 0.23 H new ATOM 0 HB3 ALA A 62 12.549 -5.193 -20.979 1.00 0.23 H new ATOM 975 N LEU A 63 11.927 -2.221 -20.259 1.00 21.45 N ATOM 976 CA LEU A 63 11.160 -1.456 -19.281 1.00 63.25 C ATOM 977 C LEU A 63 11.323 0.042 -19.514 1.00 40.45 C ATOM 978 O LEU A 63 11.171 0.844 -18.592 1.00 43.05 O ATOM 979 CB LEU A 63 11.604 -1.814 -17.862 1.00 71.40 C ATOM 980 CG LEU A 63 11.996 -3.274 -17.630 1.00 2.14 C ATOM 981 CD1 LEU A 63 12.318 -3.513 -16.163 1.00 0.14 C ATOM 982 CD2 LEU A 63 10.885 -4.205 -18.092 1.00 41.04 C ATOM 0 H LEU A 63 12.916 -2.323 -20.032 1.00 21.45 H new ATOM 0 HA LEU A 63 10.107 -1.712 -19.401 1.00 63.25 H new ATOM 0 HB2 LEU A 63 12.454 -1.184 -17.599 1.00 71.40 H new ATOM 0 HB3 LEU A 63 10.796 -1.562 -17.175 1.00 71.40 H new ATOM 0 HG LEU A 63 12.889 -3.488 -18.217 1.00 2.14 H new ATOM 0 HD11 LEU A 63 12.595 -4.557 -16.017 1.00 0.14 H new ATOM 0 HD12 LEU A 63 13.147 -2.872 -15.863 1.00 0.14 H new ATOM 0 HD13 LEU A 63 11.443 -3.281 -15.556 1.00 0.14 H new ATOM 0 HD21 LEU A 63 11.182 -5.239 -17.919 1.00 41.04 H new ATOM 0 HD22 LEU A 63 9.974 -3.990 -17.533 1.00 41.04 H new ATOM 0 HD23 LEU A 63 10.702 -4.053 -19.156 1.00 41.04 H new ATOM 994 N ARG A 64 11.631 0.414 -20.753 1.00 34.50 N ATOM 995 CA ARG A 64 11.813 1.816 -21.107 1.00 73.14 C ATOM 996 C ARG A 64 10.529 2.607 -20.872 1.00 43.22 C ATOM 997 O ARG A 64 9.451 2.204 -21.305 1.00 71.44 O ATOM 998 CB ARG A 64 12.242 1.943 -22.570 1.00 72.33 C ATOM 999 CG ARG A 64 13.749 1.987 -22.761 1.00 61.32 C ATOM 1000 CD ARG A 64 14.121 2.503 -24.142 1.00 72.35 C ATOM 1001 NE ARG A 64 14.316 3.950 -24.152 1.00 24.02 N ATOM 1002 CZ ARG A 64 14.537 4.655 -25.256 1.00 32.30 C ATOM 1003 NH1 ARG A 64 14.589 4.048 -26.434 1.00 10.50 N ATOM 1004 NH2 ARG A 64 14.705 5.969 -25.183 1.00 60.13 N ATOM 0 H ARG A 64 11.760 -0.237 -21.528 1.00 34.50 H new ATOM 0 HA ARG A 64 12.595 2.227 -20.469 1.00 73.14 H new ATOM 0 HB2 ARG A 64 11.837 1.102 -23.133 1.00 72.33 H new ATOM 0 HB3 ARG A 64 11.804 2.848 -22.991 1.00 72.33 H new ATOM 0 HG2 ARG A 64 14.195 2.628 -22.000 1.00 61.32 H new ATOM 0 HG3 ARG A 64 14.164 0.989 -22.620 1.00 61.32 H new ATOM 0 HD2 ARG A 64 15.034 2.012 -24.478 1.00 72.35 H new ATOM 0 HD3 ARG A 64 13.337 2.238 -24.851 1.00 72.35 H new ATOM 0 HE ARG A 64 14.281 4.447 -23.262 1.00 24.02 H new ATOM 0 HH11 ARG A 64 14.459 3.038 -26.493 1.00 10.50 H new ATOM 0 HH12 ARG A 64 14.759 4.591 -27.281 1.00 10.50 H new ATOM 0 HH21 ARG A 64 14.665 6.439 -24.279 1.00 60.13 H new ATOM 0 HH22 ARG A 64 14.875 6.509 -26.031 1.00 60.13 H new ATOM 1018 N GLY A 65 10.654 3.737 -20.182 1.00 25.20 N ATOM 1019 CA GLY A 65 9.497 4.566 -19.900 1.00 44.25 C ATOM 1020 C GLY A 65 8.883 4.264 -18.548 1.00 75.14 C ATOM 1021 O GLY A 65 8.154 5.086 -17.993 1.00 21.31 O ATOM 0 H GLY A 65 11.536 4.093 -19.813 1.00 25.20 H new ATOM 0 HA2 GLY A 65 9.788 5.616 -19.937 1.00 44.25 H new ATOM 0 HA3 GLY A 65 8.748 4.416 -20.677 1.00 44.25 H new ATOM 1025 N MET A 66 9.175 3.081 -18.018 1.00 72.23 N ATOM 1026 CA MET A 66 8.645 2.672 -16.723 1.00 14.33 C ATOM 1027 C MET A 66 8.932 3.728 -15.660 1.00 41.41 C ATOM 1028 O MET A 66 9.894 4.489 -15.771 1.00 73.45 O ATOM 1029 CB MET A 66 9.247 1.331 -16.301 1.00 70.31 C ATOM 1030 CG MET A 66 8.397 0.572 -15.295 1.00 11.33 C ATOM 1031 SD MET A 66 8.519 -1.216 -15.490 1.00 62.00 S ATOM 1032 CE MET A 66 9.963 -1.568 -14.489 1.00 55.14 C ATOM 0 H MET A 66 9.776 2.389 -18.465 1.00 72.23 H new ATOM 0 HA MET A 66 7.565 2.562 -16.819 1.00 14.33 H new ATOM 0 HB2 MET A 66 9.388 0.711 -17.186 1.00 70.31 H new ATOM 0 HB3 MET A 66 10.234 1.504 -15.873 1.00 70.31 H new ATOM 0 HG2 MET A 66 8.705 0.845 -14.286 1.00 11.33 H new ATOM 0 HG3 MET A 66 7.356 0.875 -15.403 1.00 11.33 H new ATOM 0 HE1 MET A 66 9.996 -2.633 -14.259 1.00 55.14 H new ATOM 0 HE2 MET A 66 10.863 -1.287 -15.037 1.00 55.14 H new ATOM 0 HE3 MET A 66 9.910 -0.998 -13.561 1.00 55.14 H new ATOM 1042 N SER A 67 8.092 3.770 -14.631 1.00 21.22 N ATOM 1043 CA SER A 67 8.254 4.736 -13.550 1.00 62.34 C ATOM 1044 C SER A 67 8.946 4.097 -12.350 1.00 31.11 C ATOM 1045 O SER A 67 9.271 2.909 -12.364 1.00 41.24 O ATOM 1046 CB SER A 67 6.894 5.296 -13.131 1.00 11.32 C ATOM 1047 OG SER A 67 6.135 5.693 -14.260 1.00 64.22 O ATOM 0 H SER A 67 7.292 3.146 -14.523 1.00 21.22 H new ATOM 0 HA SER A 67 8.878 5.552 -13.915 1.00 62.34 H new ATOM 0 HB2 SER A 67 6.345 4.542 -12.567 1.00 11.32 H new ATOM 0 HB3 SER A 67 7.037 6.149 -12.467 1.00 11.32 H new ATOM 0 HG SER A 67 5.270 6.046 -13.965 1.00 64.22 H new ATOM 1053 N THR A 68 9.168 4.894 -11.310 1.00 4.34 N ATOM 1054 CA THR A 68 9.822 4.409 -10.101 1.00 2.22 C ATOM 1055 C THR A 68 8.908 3.472 -9.320 1.00 25.31 C ATOM 1056 O THR A 68 9.318 2.383 -8.920 1.00 21.41 O ATOM 1057 CB THR A 68 10.247 5.573 -9.186 1.00 50.40 C ATOM 1058 OG1 THR A 68 11.043 6.509 -9.922 1.00 3.04 O ATOM 1059 CG2 THR A 68 11.033 5.062 -7.989 1.00 24.44 C ATOM 0 H THR A 68 8.904 5.879 -11.281 1.00 4.34 H new ATOM 0 HA THR A 68 10.711 3.864 -10.420 1.00 2.22 H new ATOM 0 HB THR A 68 9.346 6.068 -8.824 1.00 50.40 H new ATOM 0 HG1 THR A 68 11.308 7.247 -9.334 1.00 3.04 H new ATOM 0 HG21 THR A 68 11.322 5.902 -7.358 1.00 24.44 H new ATOM 0 HG22 THR A 68 10.414 4.373 -7.415 1.00 24.44 H new ATOM 0 HG23 THR A 68 11.927 4.544 -8.335 1.00 24.44 H new ATOM 1067 N GLU A 69 7.669 3.902 -9.107 1.00 52.13 N ATOM 1068 CA GLU A 69 6.697 3.099 -8.374 1.00 4.45 C ATOM 1069 C GLU A 69 6.396 1.799 -9.114 1.00 11.44 C ATOM 1070 O GLU A 69 6.139 0.766 -8.496 1.00 0.21 O ATOM 1071 CB GLU A 69 5.405 3.890 -8.162 1.00 52.30 C ATOM 1072 CG GLU A 69 5.576 5.109 -7.271 1.00 32.02 C ATOM 1073 CD GLU A 69 4.282 5.525 -6.597 1.00 45.45 C ATOM 1074 OE1 GLU A 69 3.663 4.674 -5.925 1.00 65.03 O ATOM 1075 OE2 GLU A 69 3.889 6.702 -6.743 1.00 23.44 O ATOM 0 H GLU A 69 7.314 4.802 -9.431 1.00 52.13 H new ATOM 0 HA GLU A 69 7.126 2.852 -7.403 1.00 4.45 H new ATOM 0 HB2 GLU A 69 5.022 4.210 -9.131 1.00 52.30 H new ATOM 0 HB3 GLU A 69 4.654 3.232 -7.723 1.00 52.30 H new ATOM 0 HG2 GLU A 69 6.326 4.895 -6.509 1.00 32.02 H new ATOM 0 HG3 GLU A 69 5.954 5.940 -7.867 1.00 32.02 H new ATOM 1082 N SER A 70 6.429 1.860 -10.441 1.00 72.21 N ATOM 1083 CA SER A 70 6.155 0.689 -11.266 1.00 51.35 C ATOM 1084 C SER A 70 7.247 -0.362 -11.097 1.00 61.52 C ATOM 1085 O SER A 70 6.964 -1.556 -10.994 1.00 3.44 O ATOM 1086 CB SER A 70 6.042 1.092 -12.738 1.00 64.22 C ATOM 1087 OG SER A 70 4.720 1.489 -13.059 1.00 4.14 O ATOM 0 H SER A 70 6.643 2.707 -10.968 1.00 72.21 H new ATOM 0 HA SER A 70 5.208 0.259 -10.940 1.00 51.35 H new ATOM 0 HB2 SER A 70 6.732 1.910 -12.948 1.00 64.22 H new ATOM 0 HB3 SER A 70 6.337 0.255 -13.371 1.00 64.22 H new ATOM 0 HG SER A 70 4.675 1.743 -14.004 1.00 4.14 H new ATOM 1093 N ALA A 71 8.496 0.090 -11.070 1.00 44.12 N ATOM 1094 CA ALA A 71 9.632 -0.810 -10.912 1.00 33.24 C ATOM 1095 C ALA A 71 9.676 -1.395 -9.504 1.00 4.21 C ATOM 1096 O ALA A 71 9.773 -2.609 -9.327 1.00 61.44 O ATOM 1097 CB ALA A 71 10.930 -0.082 -11.224 1.00 45.13 C ATOM 0 H ALA A 71 8.747 1.075 -11.156 1.00 44.12 H new ATOM 0 HA ALA A 71 9.513 -1.633 -11.616 1.00 33.24 H new ATOM 0 HB1 ALA A 71 11.769 -0.766 -11.102 1.00 45.13 H new ATOM 0 HB2 ALA A 71 10.905 0.282 -12.251 1.00 45.13 H new ATOM 0 HB3 ALA A 71 11.047 0.761 -10.543 1.00 45.13 H new ATOM 1103 N LYS A 72 9.606 -0.523 -8.504 1.00 0.12 N ATOM 1104 CA LYS A 72 9.638 -0.952 -7.111 1.00 12.34 C ATOM 1105 C LYS A 72 8.547 -1.981 -6.833 1.00 71.01 C ATOM 1106 O LYS A 72 8.754 -2.929 -6.077 1.00 64.41 O ATOM 1107 CB LYS A 72 9.466 0.252 -6.181 1.00 64.10 C ATOM 1108 CG LYS A 72 10.599 1.259 -6.275 1.00 43.21 C ATOM 1109 CD LYS A 72 10.169 2.630 -5.781 1.00 52.34 C ATOM 1110 CE LYS A 72 11.321 3.372 -5.121 1.00 71.01 C ATOM 1111 NZ LYS A 72 10.909 4.719 -4.637 1.00 71.33 N ATOM 0 H LYS A 72 9.527 0.486 -8.633 1.00 0.12 H new ATOM 0 HA LYS A 72 10.607 -1.415 -6.922 1.00 12.34 H new ATOM 0 HB2 LYS A 72 8.526 0.752 -6.417 1.00 64.10 H new ATOM 0 HB3 LYS A 72 9.390 -0.102 -5.153 1.00 64.10 H new ATOM 0 HG2 LYS A 72 11.448 0.909 -5.687 1.00 43.21 H new ATOM 0 HG3 LYS A 72 10.936 1.333 -7.309 1.00 43.21 H new ATOM 0 HD2 LYS A 72 9.789 3.216 -6.618 1.00 52.34 H new ATOM 0 HD3 LYS A 72 9.350 2.521 -5.070 1.00 52.34 H new ATOM 0 HE2 LYS A 72 11.699 2.785 -4.284 1.00 71.01 H new ATOM 0 HE3 LYS A 72 12.140 3.477 -5.832 1.00 71.01 H new ATOM 0 HZ1 LYS A 72 11.755 5.281 -4.413 1.00 71.33 H new ATOM 0 HZ2 LYS A 72 10.359 5.200 -5.377 1.00 71.33 H new ATOM 0 HZ3 LYS A 72 10.325 4.617 -3.783 1.00 71.33 H new ATOM 1125 N GLU A 73 7.386 -1.787 -7.451 1.00 32.41 N ATOM 1126 CA GLU A 73 6.263 -2.700 -7.270 1.00 23.52 C ATOM 1127 C GLU A 73 6.595 -4.086 -7.817 1.00 51.33 C ATOM 1128 O GLU A 73 5.988 -5.082 -7.425 1.00 11.53 O ATOM 1129 CB GLU A 73 5.014 -2.152 -7.962 1.00 41.13 C ATOM 1130 CG GLU A 73 4.145 -1.293 -7.059 1.00 41.12 C ATOM 1131 CD GLU A 73 2.680 -1.336 -7.447 1.00 13.31 C ATOM 1132 OE1 GLU A 73 1.978 -2.272 -7.010 1.00 2.02 O ATOM 1133 OE2 GLU A 73 2.235 -0.434 -8.187 1.00 53.01 O ATOM 0 H GLU A 73 7.199 -1.007 -8.081 1.00 32.41 H new ATOM 0 HA GLU A 73 6.068 -2.787 -6.201 1.00 23.52 H new ATOM 0 HB2 GLU A 73 5.317 -1.563 -8.827 1.00 41.13 H new ATOM 0 HB3 GLU A 73 4.421 -2.986 -8.336 1.00 41.13 H new ATOM 0 HG2 GLU A 73 4.254 -1.630 -6.028 1.00 41.12 H new ATOM 0 HG3 GLU A 73 4.497 -0.262 -7.096 1.00 41.12 H new ATOM 1140 N ALA A 74 7.562 -4.140 -8.727 1.00 42.11 N ATOM 1141 CA ALA A 74 7.976 -5.402 -9.328 1.00 0.21 C ATOM 1142 C ALA A 74 9.040 -6.091 -8.480 1.00 52.30 C ATOM 1143 O ALA A 74 9.160 -7.316 -8.493 1.00 45.01 O ATOM 1144 CB ALA A 74 8.493 -5.170 -10.740 1.00 54.41 C ATOM 0 H ALA A 74 8.073 -3.324 -9.064 1.00 42.11 H new ATOM 0 HA ALA A 74 7.106 -6.056 -9.374 1.00 0.21 H new ATOM 0 HB1 ALA A 74 8.799 -6.121 -11.176 1.00 54.41 H new ATOM 0 HB2 ALA A 74 7.704 -4.728 -11.348 1.00 54.41 H new ATOM 0 HB3 ALA A 74 9.348 -4.494 -10.708 1.00 54.41 H new ATOM 1150 N TYR A 75 9.809 -5.296 -7.744 1.00 63.25 N ATOM 1151 CA TYR A 75 10.866 -5.830 -6.893 1.00 15.23 C ATOM 1152 C TYR A 75 10.278 -6.583 -5.703 1.00 73.44 C ATOM 1153 O TYR A 75 10.937 -7.434 -5.105 1.00 13.20 O ATOM 1154 CB TYR A 75 11.770 -4.700 -6.398 1.00 64.11 C ATOM 1155 CG TYR A 75 13.198 -5.132 -6.152 1.00 3.22 C ATOM 1156 CD1 TYR A 75 13.524 -5.934 -5.065 1.00 63.43 C ATOM 1157 CD2 TYR A 75 14.222 -4.737 -7.004 1.00 55.45 C ATOM 1158 CE1 TYR A 75 14.828 -6.331 -4.836 1.00 13.23 C ATOM 1159 CE2 TYR A 75 15.527 -5.129 -6.784 1.00 23.55 C ATOM 1160 CZ TYR A 75 15.825 -5.926 -5.698 1.00 24.32 C ATOM 1161 OH TYR A 75 17.125 -6.319 -5.473 1.00 42.54 O ATOM 0 H TYR A 75 9.720 -4.280 -7.720 1.00 63.25 H new ATOM 0 HA TYR A 75 11.458 -6.527 -7.486 1.00 15.23 H new ATOM 0 HB2 TYR A 75 11.764 -3.894 -7.131 1.00 64.11 H new ATOM 0 HB3 TYR A 75 11.358 -4.294 -5.474 1.00 64.11 H new ATOM 0 HD1 TYR A 75 12.745 -6.252 -4.388 1.00 63.43 H new ATOM 0 HD2 TYR A 75 13.993 -4.112 -7.854 1.00 55.45 H new ATOM 0 HE1 TYR A 75 15.065 -6.955 -3.987 1.00 13.23 H new ATOM 0 HE2 TYR A 75 16.310 -4.814 -7.458 1.00 23.55 H new ATOM 0 HH TYR A 75 17.379 -7.000 -6.131 1.00 42.54 H new ATOM 1171 N VAL A 76 9.032 -6.265 -5.367 1.00 11.14 N ATOM 1172 CA VAL A 76 8.353 -6.912 -4.250 1.00 54.24 C ATOM 1173 C VAL A 76 7.630 -8.175 -4.704 1.00 61.15 C ATOM 1174 O VAL A 76 7.597 -9.176 -3.989 1.00 31.34 O ATOM 1175 CB VAL A 76 7.337 -5.964 -3.586 1.00 10.52 C ATOM 1176 CG1 VAL A 76 6.592 -6.677 -2.468 1.00 23.13 C ATOM 1177 CG2 VAL A 76 8.035 -4.718 -3.062 1.00 45.20 C ATOM 0 H VAL A 76 8.472 -5.564 -5.852 1.00 11.14 H new ATOM 0 HA VAL A 76 9.121 -7.177 -3.523 1.00 54.24 H new ATOM 0 HB VAL A 76 6.609 -5.657 -4.337 1.00 10.52 H new ATOM 0 HG11 VAL A 76 5.879 -5.991 -2.011 1.00 23.13 H new ATOM 0 HG12 VAL A 76 6.059 -7.536 -2.876 1.00 23.13 H new ATOM 0 HG13 VAL A 76 7.303 -7.016 -1.715 1.00 23.13 H new ATOM 0 HG21 VAL A 76 7.302 -4.059 -2.596 1.00 45.20 H new ATOM 0 HG22 VAL A 76 8.786 -5.004 -2.326 1.00 45.20 H new ATOM 0 HG23 VAL A 76 8.518 -4.197 -3.889 1.00 45.20 H new ATOM 1187 N LYS A 77 7.052 -8.122 -5.900 1.00 22.33 N ATOM 1188 CA LYS A 77 6.331 -9.263 -6.452 1.00 52.54 C ATOM 1189 C LYS A 77 7.298 -10.290 -7.032 1.00 3.51 C ATOM 1190 O LYS A 77 7.069 -11.496 -6.938 1.00 75.04 O ATOM 1191 CB LYS A 77 5.354 -8.798 -7.535 1.00 62.23 C ATOM 1192 CG LYS A 77 4.077 -8.191 -6.982 1.00 52.53 C ATOM 1193 CD LYS A 77 2.889 -8.468 -7.889 1.00 3.12 C ATOM 1194 CE LYS A 77 1.573 -8.146 -7.198 1.00 22.13 C ATOM 1195 NZ LYS A 77 0.421 -8.823 -7.855 1.00 43.24 N ATOM 0 H LYS A 77 7.069 -7.301 -6.505 1.00 22.33 H new ATOM 0 HA LYS A 77 5.772 -9.734 -5.643 1.00 52.54 H new ATOM 0 HB2 LYS A 77 5.850 -8.064 -8.169 1.00 62.23 H new ATOM 0 HB3 LYS A 77 5.098 -9.646 -8.170 1.00 62.23 H new ATOM 0 HG2 LYS A 77 3.880 -8.597 -5.990 1.00 52.53 H new ATOM 0 HG3 LYS A 77 4.205 -7.115 -6.867 1.00 52.53 H new ATOM 0 HD2 LYS A 77 2.978 -7.874 -8.799 1.00 3.12 H new ATOM 0 HD3 LYS A 77 2.896 -9.516 -8.190 1.00 3.12 H new ATOM 0 HE2 LYS A 77 1.627 -8.453 -6.153 1.00 22.13 H new ATOM 0 HE3 LYS A 77 1.413 -7.068 -7.206 1.00 22.13 H new ATOM 0 HZ1 LYS A 77 -0.457 -8.578 -7.354 1.00 43.24 H new ATOM 0 HZ2 LYS A 77 0.354 -8.511 -8.845 1.00 43.24 H new ATOM 0 HZ3 LYS A 77 0.561 -9.853 -7.825 1.00 43.24 H new ATOM 1209 N LEU A 78 8.381 -9.804 -7.629 1.00 60.12 N ATOM 1210 CA LEU A 78 9.385 -10.680 -8.223 1.00 21.42 C ATOM 1211 C LEU A 78 10.226 -11.355 -7.143 1.00 54.05 C ATOM 1212 O LEU A 78 10.420 -12.571 -7.162 1.00 71.24 O ATOM 1213 CB LEU A 78 10.289 -9.886 -9.167 1.00 61.34 C ATOM 1214 CG LEU A 78 11.234 -10.710 -10.043 1.00 30.43 C ATOM 1215 CD1 LEU A 78 12.433 -11.184 -9.235 1.00 75.24 C ATOM 1216 CD2 LEU A 78 10.499 -11.894 -10.654 1.00 35.23 C ATOM 0 H LEU A 78 8.586 -8.809 -7.715 1.00 60.12 H new ATOM 0 HA LEU A 78 8.867 -11.453 -8.791 1.00 21.42 H new ATOM 0 HB2 LEU A 78 9.658 -9.280 -9.818 1.00 61.34 H new ATOM 0 HB3 LEU A 78 10.887 -9.197 -8.571 1.00 61.34 H new ATOM 0 HG LEU A 78 11.595 -10.075 -10.852 1.00 30.43 H new ATOM 0 HD11 LEU A 78 13.094 -11.769 -9.874 1.00 75.24 H new ATOM 0 HD12 LEU A 78 12.974 -10.321 -8.846 1.00 75.24 H new ATOM 0 HD13 LEU A 78 12.091 -11.802 -8.405 1.00 75.24 H new ATOM 0 HD21 LEU A 78 11.187 -12.469 -11.274 1.00 35.23 H new ATOM 0 HD22 LEU A 78 10.109 -12.530 -9.859 1.00 35.23 H new ATOM 0 HD23 LEU A 78 9.673 -11.533 -11.267 1.00 35.23 H new ATOM 1228 N LEU A 79 10.720 -10.559 -6.202 1.00 43.44 N ATOM 1229 CA LEU A 79 11.539 -11.079 -5.112 1.00 55.33 C ATOM 1230 C LEU A 79 10.823 -12.214 -4.388 1.00 73.31 C ATOM 1231 O LEU A 79 11.458 -13.062 -3.760 1.00 40.35 O ATOM 1232 CB LEU A 79 11.877 -9.961 -4.124 1.00 74.20 C ATOM 1233 CG LEU A 79 12.725 -10.366 -2.918 1.00 0.20 C ATOM 1234 CD1 LEU A 79 13.928 -11.183 -3.362 1.00 22.22 C ATOM 1235 CD2 LEU A 79 13.171 -9.135 -2.143 1.00 10.34 C ATOM 0 H LEU A 79 10.568 -9.551 -6.171 1.00 43.44 H new ATOM 0 HA LEU A 79 12.463 -11.470 -5.538 1.00 55.33 H new ATOM 0 HB2 LEU A 79 12.402 -9.173 -4.664 1.00 74.20 H new ATOM 0 HB3 LEU A 79 10.944 -9.531 -3.759 1.00 74.20 H new ATOM 0 HG LEU A 79 12.115 -10.984 -2.260 1.00 0.20 H new ATOM 0 HD11 LEU A 79 14.520 -11.462 -2.490 1.00 22.22 H new ATOM 0 HD12 LEU A 79 13.588 -12.084 -3.873 1.00 22.22 H new ATOM 0 HD13 LEU A 79 14.540 -10.590 -4.041 1.00 22.22 H new ATOM 0 HD21 LEU A 79 13.773 -9.442 -1.288 1.00 10.34 H new ATOM 0 HD22 LEU A 79 13.764 -8.491 -2.793 1.00 10.34 H new ATOM 0 HD23 LEU A 79 12.295 -8.589 -1.792 1.00 10.34 H new ATOM 1247 N ASP A 80 9.498 -12.226 -4.481 1.00 74.03 N ATOM 1248 CA ASP A 80 8.695 -13.260 -3.838 1.00 11.42 C ATOM 1249 C ASP A 80 9.041 -14.639 -4.390 1.00 54.24 C ATOM 1250 O ASP A 80 8.862 -15.653 -3.715 1.00 62.32 O ATOM 1251 CB ASP A 80 7.205 -12.976 -4.036 1.00 41.32 C ATOM 1252 CG ASP A 80 6.324 -13.953 -3.282 1.00 42.45 C ATOM 1253 OD1 ASP A 80 6.528 -14.116 -2.061 1.00 44.31 O ATOM 1254 OD2 ASP A 80 5.430 -14.553 -3.914 1.00 21.42 O ATOM 0 H ASP A 80 8.957 -11.531 -4.996 1.00 74.03 H new ATOM 0 HA ASP A 80 8.920 -13.249 -2.772 1.00 11.42 H new ATOM 0 HB2 ASP A 80 6.984 -11.961 -3.704 1.00 41.32 H new ATOM 0 HB3 ASP A 80 6.967 -13.023 -5.099 1.00 41.32 H new ATOM 1259 N THR A 81 9.536 -14.670 -5.624 1.00 15.31 N ATOM 1260 CA THR A 81 9.904 -15.924 -6.268 1.00 40.25 C ATOM 1261 C THR A 81 11.306 -16.360 -5.860 1.00 64.35 C ATOM 1262 O THR A 81 11.644 -17.543 -5.929 1.00 2.13 O ATOM 1263 CB THR A 81 9.841 -15.806 -7.803 1.00 63.40 C ATOM 1264 OG1 THR A 81 9.710 -17.106 -8.389 1.00 35.31 O ATOM 1265 CG2 THR A 81 11.088 -15.124 -8.345 1.00 65.40 C ATOM 0 H THR A 81 9.691 -13.840 -6.197 1.00 15.31 H new ATOM 0 HA THR A 81 9.184 -16.673 -5.939 1.00 40.25 H new ATOM 0 HB THR A 81 8.973 -15.201 -8.063 1.00 63.40 H new ATOM 0 HG1 THR A 81 9.669 -17.022 -9.365 1.00 35.31 H new ATOM 0 HG21 THR A 81 11.021 -15.052 -9.431 1.00 65.40 H new ATOM 0 HG22 THR A 81 11.170 -14.124 -7.919 1.00 65.40 H new ATOM 0 HG23 THR A 81 11.968 -15.707 -8.074 1.00 65.40 H new ATOM 1273 N LEU A 82 12.120 -15.400 -5.436 1.00 13.24 N ATOM 1274 CA LEU A 82 13.487 -15.685 -5.015 1.00 61.41 C ATOM 1275 C LEU A 82 13.544 -15.997 -3.523 1.00 2.31 C ATOM 1276 O LEU A 82 14.015 -17.059 -3.118 1.00 44.10 O ATOM 1277 CB LEU A 82 14.398 -14.499 -5.336 1.00 25.44 C ATOM 1278 CG LEU A 82 14.486 -14.099 -6.809 1.00 23.32 C ATOM 1279 CD1 LEU A 82 14.382 -12.590 -6.959 1.00 4.50 C ATOM 1280 CD2 LEU A 82 15.781 -14.610 -7.424 1.00 31.41 C ATOM 0 H LEU A 82 11.857 -14.416 -5.375 1.00 13.24 H new ATOM 0 HA LEU A 82 13.835 -16.561 -5.563 1.00 61.41 H new ATOM 0 HB2 LEU A 82 14.052 -13.637 -4.766 1.00 25.44 H new ATOM 0 HB3 LEU A 82 15.403 -14.732 -4.983 1.00 25.44 H new ATOM 0 HG LEU A 82 13.650 -14.555 -7.340 1.00 23.32 H new ATOM 0 HD11 LEU A 82 14.447 -12.324 -8.014 1.00 4.50 H new ATOM 0 HD12 LEU A 82 13.428 -12.249 -6.557 1.00 4.50 H new ATOM 0 HD13 LEU A 82 15.197 -12.113 -6.414 1.00 4.50 H new ATOM 0 HD21 LEU A 82 15.827 -14.316 -8.473 1.00 31.41 H new ATOM 0 HD22 LEU A 82 16.630 -14.183 -6.890 1.00 31.41 H new ATOM 0 HD23 LEU A 82 15.815 -15.697 -7.350 1.00 31.41 H new ATOM 1292 N ALA A 83 13.059 -15.064 -2.710 1.00 43.32 N ATOM 1293 CA ALA A 83 13.051 -15.240 -1.263 1.00 62.13 C ATOM 1294 C ALA A 83 11.777 -14.672 -0.648 1.00 73.21 C ATOM 1295 O ALA A 83 11.750 -13.551 -0.141 1.00 52.41 O ATOM 1296 CB ALA A 83 14.276 -14.583 -0.645 1.00 23.33 C ATOM 0 H ALA A 83 12.666 -14.178 -3.029 1.00 43.32 H new ATOM 0 HA ALA A 83 13.080 -16.309 -1.052 1.00 62.13 H new ATOM 0 HB1 ALA A 83 14.257 -14.722 0.436 1.00 23.33 H new ATOM 0 HB2 ALA A 83 15.178 -15.038 -1.054 1.00 23.33 H new ATOM 0 HB3 ALA A 83 14.272 -13.517 -0.874 1.00 23.33 H new ATOM 1302 N PRO A 84 10.694 -15.463 -0.693 1.00 11.40 N ATOM 1303 CA PRO A 84 9.396 -15.059 -0.144 1.00 51.25 C ATOM 1304 C PRO A 84 9.405 -14.993 1.379 1.00 45.21 C ATOM 1305 O PRO A 84 8.427 -14.576 1.998 1.00 54.32 O ATOM 1306 CB PRO A 84 8.449 -16.161 -0.626 1.00 10.10 C ATOM 1307 CG PRO A 84 9.324 -17.349 -0.831 1.00 32.22 C ATOM 1308 CD PRO A 84 10.654 -16.812 -1.282 1.00 54.51 C ATOM 0 HA PRO A 84 9.110 -14.059 -0.469 1.00 51.25 H new ATOM 0 HB2 PRO A 84 7.671 -16.364 0.110 1.00 10.10 H new ATOM 0 HB3 PRO A 84 7.947 -15.875 -1.550 1.00 10.10 H new ATOM 0 HG2 PRO A 84 9.427 -17.921 0.091 1.00 32.22 H new ATOM 0 HG3 PRO A 84 8.901 -18.021 -1.578 1.00 32.22 H new ATOM 0 HD2 PRO A 84 11.478 -17.430 -0.927 1.00 54.51 H new ATOM 0 HD3 PRO A 84 10.726 -16.778 -2.369 1.00 54.51 H new ATOM 1316 N SER A 85 10.518 -15.407 1.978 1.00 53.44 N ATOM 1317 CA SER A 85 10.653 -15.397 3.430 1.00 61.45 C ATOM 1318 C SER A 85 10.860 -13.977 3.947 1.00 73.01 C ATOM 1319 O SER A 85 10.902 -13.745 5.155 1.00 24.11 O ATOM 1320 CB SER A 85 11.823 -16.284 3.859 1.00 24.14 C ATOM 1321 OG SER A 85 11.627 -17.624 3.443 1.00 25.42 O ATOM 0 H SER A 85 11.338 -15.753 1.480 1.00 53.44 H new ATOM 0 HA SER A 85 9.731 -15.790 3.859 1.00 61.45 H new ATOM 0 HB2 SER A 85 12.750 -15.900 3.433 1.00 24.14 H new ATOM 0 HB3 SER A 85 11.932 -16.249 4.943 1.00 24.14 H new ATOM 0 HG SER A 85 12.389 -18.170 3.728 1.00 25.42 H new ATOM 1327 N TRP A 86 10.987 -13.031 3.024 1.00 41.03 N ATOM 1328 CA TRP A 86 11.189 -11.633 3.386 1.00 44.45 C ATOM 1329 C TRP A 86 9.857 -10.943 3.660 1.00 25.22 C ATOM 1330 O TRP A 86 9.791 -9.985 4.431 1.00 63.34 O ATOM 1331 CB TRP A 86 11.937 -10.899 2.271 1.00 61.01 C ATOM 1332 CG TRP A 86 11.034 -10.373 1.196 1.00 23.13 C ATOM 1333 CD1 TRP A 86 10.225 -11.105 0.375 1.00 12.21 C ATOM 1334 CD2 TRP A 86 10.851 -9.002 0.826 1.00 62.31 C ATOM 1335 NE1 TRP A 86 9.549 -10.271 -0.484 1.00 25.44 N ATOM 1336 CE2 TRP A 86 9.915 -8.977 -0.227 1.00 5.32 C ATOM 1337 CE3 TRP A 86 11.385 -7.794 1.282 1.00 33.01 C ATOM 1338 CZ2 TRP A 86 9.505 -7.790 -0.829 1.00 22.21 C ATOM 1339 CZ3 TRP A 86 10.977 -6.617 0.683 1.00 33.43 C ATOM 1340 CH2 TRP A 86 10.044 -6.622 -0.362 1.00 71.03 C ATOM 0 H TRP A 86 10.954 -13.206 2.020 1.00 41.03 H new ATOM 0 HA TRP A 86 11.787 -11.603 4.297 1.00 44.45 H new ATOM 0 HB2 TRP A 86 12.497 -10.070 2.704 1.00 61.01 H new ATOM 0 HB3 TRP A 86 12.665 -11.576 1.825 1.00 61.01 H new ATOM 0 HD1 TRP A 86 10.130 -12.181 0.397 1.00 12.21 H new ATOM 0 HE1 TRP A 86 8.883 -10.568 -1.197 1.00 25.44 H new ATOM 0 HE3 TRP A 86 12.104 -7.780 2.088 1.00 33.01 H new ATOM 0 HZ2 TRP A 86 8.787 -7.791 -1.636 1.00 22.21 H new ATOM 0 HZ3 TRP A 86 11.384 -5.678 1.026 1.00 33.43 H new ATOM 0 HH2 TRP A 86 9.744 -5.685 -0.808 1.00 71.03 H new ATOM 1351 N ARG A 87 8.799 -11.436 3.026 1.00 71.41 N ATOM 1352 CA ARG A 87 7.469 -10.866 3.202 1.00 74.41 C ATOM 1353 C ARG A 87 6.739 -11.537 4.362 1.00 31.20 C ATOM 1354 O ARG A 87 5.931 -10.910 5.046 1.00 42.12 O ATOM 1355 CB ARG A 87 6.652 -11.016 1.917 1.00 62.11 C ATOM 1356 CG ARG A 87 6.562 -12.448 1.416 1.00 31.42 C ATOM 1357 CD ARG A 87 5.476 -12.603 0.363 1.00 14.12 C ATOM 1358 NE ARG A 87 5.638 -11.653 -0.734 1.00 61.12 N ATOM 1359 CZ ARG A 87 4.696 -11.406 -1.638 1.00 2.13 C ATOM 1360 NH1 ARG A 87 3.531 -12.035 -1.574 1.00 53.13 N ATOM 1361 NH2 ARG A 87 4.919 -10.528 -2.607 1.00 10.51 N ATOM 0 H ARG A 87 8.837 -12.229 2.386 1.00 71.41 H new ATOM 0 HA ARG A 87 7.583 -9.806 3.431 1.00 74.41 H new ATOM 0 HB2 ARG A 87 5.645 -10.637 2.091 1.00 62.11 H new ATOM 0 HB3 ARG A 87 7.097 -10.395 1.139 1.00 62.11 H new ATOM 0 HG2 ARG A 87 7.522 -12.749 0.997 1.00 31.42 H new ATOM 0 HG3 ARG A 87 6.356 -13.115 2.253 1.00 31.42 H new ATOM 0 HD2 ARG A 87 5.496 -13.619 -0.031 1.00 14.12 H new ATOM 0 HD3 ARG A 87 4.499 -12.460 0.826 1.00 14.12 H new ATOM 0 HE ARG A 87 6.523 -11.151 -0.811 1.00 61.12 H new ATOM 0 HH11 ARG A 87 3.356 -12.710 -0.830 1.00 53.13 H new ATOM 0 HH12 ARG A 87 2.809 -11.844 -2.269 1.00 53.13 H new ATOM 0 HH21 ARG A 87 5.814 -10.042 -2.659 1.00 10.51 H new ATOM 0 HH22 ARG A 87 4.195 -10.339 -3.301 1.00 10.51 H new ATOM 1375 N ASN A 88 7.029 -12.816 4.577 1.00 64.22 N ATOM 1376 CA ASN A 88 6.400 -13.573 5.653 1.00 1.32 C ATOM 1377 C ASN A 88 7.438 -14.371 6.436 1.00 1.44 C ATOM 1378 O ASN A 88 7.662 -14.122 7.621 1.00 75.31 O ATOM 1379 CB ASN A 88 5.336 -14.515 5.088 1.00 60.53 C ATOM 1380 CG ASN A 88 5.916 -15.848 4.655 1.00 72.25 C ATOM 1381 OD1 ASN A 88 5.834 -16.839 5.381 1.00 53.12 O ATOM 1382 ND2 ASN A 88 6.506 -15.878 3.465 1.00 2.15 N ATOM 0 H ASN A 88 7.696 -13.350 4.020 1.00 64.22 H new ATOM 0 HA ASN A 88 5.925 -12.865 6.332 1.00 1.32 H new ATOM 0 HB2 ASN A 88 4.567 -14.684 5.842 1.00 60.53 H new ATOM 0 HB3 ASN A 88 4.849 -14.040 4.236 1.00 60.53 H new ATOM 0 HD21 ASN A 88 6.914 -16.747 3.120 1.00 2.15 H new ATOM 0 HD22 ASN A 88 6.551 -15.032 2.897 1.00 2.15 H new TER 1389 ASN A 88