USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 893 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 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= -0.051 X(o=-0.85,f=-1.3) USER MOD Set 1.3: A 100 MET CE :methyl -159:sc= -0.804 (180deg=-0.642) USER MOD Set 2.1: A 88 THR OG1 : rot 180:sc= 0.157 USER MOD Set 2.2: A 91 GLN : amide:sc= 0.08 X(o=0.24,f=0.26) USER MOD Set 3.1: A 81 ASN : amide:sc=-0.00455 K(o=0.61,f=-1) USER MOD Set 3.2: A 102 SER OG : rot -22:sc= 0.614 USER MOD Set 4.1: A 54 ASN : amide:sc= -0.536 K(o=-0.14,f=-5.4!) USER MOD Set 4.2: A 58 LYS NZ :NH3+ -105:sc= 0.397 (180deg=-0.958) USER MOD Set 5.1: A 21 THR OG1 : rot 180:sc= 0.0987 USER MOD Set 5.2: A 41 SER OG : rot -166:sc= -0.0849 USER MOD Set 6.1: A 16 CYS SG : rot 76:sc= 2.31 USER MOD Set 6.2: A 59 TYR OH : rot -107:sc= 1.27 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -147:sc= 0 (180deg=-0.732) USER MOD Single : A 8 THR OG1 : rot 118:sc= -0.155 USER MOD Single : A 9 CYS SG : rot -1:sc= 0.0424 USER MOD Single : A 14 ASN : amide:sc= 0.108 K(o=0.11,f=-6.3!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 173:sc= -1.23 (180deg=-1.53) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.185 F(o=-0.89,f=-0.19) USER MOD Single : A 26 THR OG1 : rot -140:sc=-0.00053 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.126 F(o=-1.3,f=-0.13) USER MOD Single : A 30 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-3.4!) USER MOD Single : A 37 CYS SG : rot 29:sc= -3.96! USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 47 CYS SG : rot 82:sc= -3.83! USER MOD Single : A 55 THR OG1 : rot 51:sc= 0.0314 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00868) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00295) USER MOD Single : A 75 ASN : amide:sc= -2.1! C(o=-2.1!,f=-4.6!) USER MOD Single : A 84 CYS SG : rot -75:sc= 0.0305 USER MOD Single : A 90 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.85) USER MOD Single : A 95 MET CE :methyl 161:sc= 0 (180deg=-0.153) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -153:sc= -0.142 (180deg=-0.997) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 137:sc= -0.207 (180deg=-0.779) USER MOD Single : A 113 THR OG1 : rot 40:sc= 0.321 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.972 4.528 17.643 1.00 53.02 N ATOM 2 CA SER A 1 -2.562 5.781 18.186 1.00 3.14 C ATOM 3 C SER A 1 -3.917 6.093 17.514 1.00 33.45 C ATOM 4 O SER A 1 -3.968 6.395 16.317 1.00 74.21 O ATOM 5 CB SER A 1 -1.568 6.955 18.000 1.00 30.14 C ATOM 6 OG SER A 1 -0.342 6.699 18.672 1.00 62.05 O ATOM 0 H1 SER A 1 -1.062 4.341 18.111 1.00 53.02 H new ATOM 0 H2 SER A 1 -2.621 3.734 17.818 1.00 53.02 H new ATOM 0 H3 SER A 1 -1.820 4.631 16.619 1.00 53.02 H new ATOM 0 HA SER A 1 -2.748 5.645 19.251 1.00 3.14 H new ATOM 0 HB2 SER A 1 -1.379 7.110 16.938 1.00 30.14 H new ATOM 0 HB3 SER A 1 -2.011 7.875 18.383 1.00 30.14 H new ATOM 0 HG SER A 1 0.268 7.454 18.538 1.00 62.05 H new ATOM 14 N HIS A 2 -5.019 5.996 18.292 1.00 71.32 N ATOM 15 CA HIS A 2 -6.379 6.334 17.815 1.00 65.33 C ATOM 16 C HIS A 2 -6.543 7.872 17.714 1.00 72.05 C ATOM 17 O HIS A 2 -6.789 8.545 18.715 1.00 51.31 O ATOM 18 CB HIS A 2 -7.458 5.740 18.758 1.00 72.24 C ATOM 19 CG HIS A 2 -7.457 4.233 18.845 1.00 2.04 C ATOM 20 ND1 HIS A 2 -7.967 3.425 17.853 1.00 3.03 N ATOM 21 CD2 HIS A 2 -7.022 3.390 19.816 1.00 61.54 C ATOM 22 CE1 HIS A 2 -7.852 2.163 18.206 1.00 61.51 C ATOM 23 NE2 HIS A 2 -7.283 2.115 19.390 1.00 14.32 N ATOM 0 H HIS A 2 -4.991 5.683 19.262 1.00 71.32 H new ATOM 0 HA HIS A 2 -6.513 5.898 16.825 1.00 65.33 H new ATOM 0 HB2 HIS A 2 -7.312 6.148 19.758 1.00 72.24 H new ATOM 0 HB3 HIS A 2 -8.440 6.070 18.419 1.00 72.24 H new ATOM 0 HD2 HIS A 2 -6.557 3.672 20.749 1.00 61.54 H new ATOM 0 HE1 HIS A 2 -8.171 1.312 17.623 1.00 61.51 H new ATOM 0 HE2 HIS A 2 -7.070 1.263 19.909 1.00 14.32 H new ATOM 32 N MET A 3 -6.339 8.423 16.505 1.00 72.11 N ATOM 33 CA MET A 3 -6.451 9.882 16.235 1.00 1.44 C ATOM 34 C MET A 3 -7.440 10.144 15.063 1.00 31.44 C ATOM 35 O MET A 3 -7.393 9.413 14.069 1.00 14.35 O ATOM 36 CB MET A 3 -5.045 10.473 15.911 1.00 12.41 C ATOM 37 CG MET A 3 -4.034 10.380 17.068 1.00 0.32 C ATOM 38 SD MET A 3 -2.429 11.103 16.657 1.00 63.05 S ATOM 39 CE MET A 3 -1.538 10.902 18.204 1.00 32.05 C ATOM 0 H MET A 3 -6.091 7.875 15.681 1.00 72.11 H new ATOM 0 HA MET A 3 -6.841 10.376 17.125 1.00 1.44 H new ATOM 0 HB2 MET A 3 -4.636 9.952 15.045 1.00 12.41 H new ATOM 0 HB3 MET A 3 -5.160 11.519 15.629 1.00 12.41 H new ATOM 0 HG2 MET A 3 -4.442 10.887 17.942 1.00 0.32 H new ATOM 0 HG3 MET A 3 -3.897 9.334 17.341 1.00 0.32 H new ATOM 0 HE1 MET A 3 -0.846 11.734 18.336 1.00 32.05 H new ATOM 0 HE2 MET A 3 -2.246 10.884 19.032 1.00 32.05 H new ATOM 0 HE3 MET A 3 -0.980 9.966 18.184 1.00 32.05 H new ATOM 49 N PRO A 4 -8.362 11.170 15.179 1.00 41.13 N ATOM 50 CA PRO A 4 -9.355 11.519 14.113 1.00 62.23 C ATOM 51 C PRO A 4 -8.754 11.598 12.678 1.00 72.42 C ATOM 52 O PRO A 4 -7.923 12.470 12.386 1.00 33.22 O ATOM 53 CB PRO A 4 -9.884 12.900 14.573 1.00 12.02 C ATOM 54 CG PRO A 4 -9.794 12.843 16.070 1.00 32.21 C ATOM 55 CD PRO A 4 -8.533 12.051 16.375 1.00 22.24 C ATOM 0 HA PRO A 4 -10.122 10.750 14.018 1.00 62.23 H new ATOM 0 HB2 PRO A 4 -9.282 13.713 14.168 1.00 12.02 H new ATOM 0 HB3 PRO A 4 -10.909 13.066 14.241 1.00 12.02 H new ATOM 0 HG2 PRO A 4 -9.741 13.844 16.498 1.00 32.21 H new ATOM 0 HG3 PRO A 4 -10.673 12.360 16.497 1.00 32.21 H new ATOM 0 HD2 PRO A 4 -7.673 12.707 16.514 1.00 22.24 H new ATOM 0 HD3 PRO A 4 -8.640 11.467 17.289 1.00 22.24 H new ATOM 63 N VAL A 5 -9.163 10.647 11.811 1.00 5.42 N ATOM 64 CA VAL A 5 -8.700 10.559 10.407 1.00 30.24 C ATOM 65 C VAL A 5 -9.187 11.786 9.577 1.00 33.03 C ATOM 66 O VAL A 5 -10.388 12.083 9.565 1.00 2.01 O ATOM 67 CB VAL A 5 -9.191 9.214 9.731 1.00 15.43 C ATOM 68 CG1 VAL A 5 -8.721 9.096 8.256 1.00 45.12 C ATOM 69 CG2 VAL A 5 -8.744 7.978 10.559 1.00 3.31 C ATOM 0 H VAL A 5 -9.826 9.915 12.065 1.00 5.42 H new ATOM 0 HA VAL A 5 -7.610 10.563 10.420 1.00 30.24 H new ATOM 0 HB VAL A 5 -10.281 9.241 9.719 1.00 15.43 H new ATOM 0 HG11 VAL A 5 -9.081 8.158 7.833 1.00 45.12 H new ATOM 0 HG12 VAL A 5 -9.120 9.931 7.679 1.00 45.12 H new ATOM 0 HG13 VAL A 5 -7.632 9.116 8.218 1.00 45.12 H new ATOM 0 HG21 VAL A 5 -9.094 7.068 10.072 1.00 3.31 H new ATOM 0 HG22 VAL A 5 -7.656 7.958 10.625 1.00 3.31 H new ATOM 0 HG23 VAL A 5 -9.167 8.039 11.562 1.00 3.31 H new ATOM 79 N PRO A 6 -8.254 12.552 8.918 1.00 45.02 N ATOM 80 CA PRO A 6 -8.620 13.663 7.982 1.00 33.12 C ATOM 81 C PRO A 6 -9.366 13.198 6.695 1.00 51.45 C ATOM 82 O PRO A 6 -9.801 12.044 6.577 1.00 52.33 O ATOM 83 CB PRO A 6 -7.242 14.312 7.647 1.00 31.22 C ATOM 84 CG PRO A 6 -6.320 13.851 8.737 1.00 34.33 C ATOM 85 CD PRO A 6 -6.776 12.454 9.075 1.00 4.42 C ATOM 0 HA PRO A 6 -9.334 14.349 8.439 1.00 33.12 H new ATOM 0 HB2 PRO A 6 -6.884 13.995 6.667 1.00 31.22 H new ATOM 0 HB3 PRO A 6 -7.313 15.399 7.624 1.00 31.22 H new ATOM 0 HG2 PRO A 6 -5.282 13.857 8.404 1.00 34.33 H new ATOM 0 HG3 PRO A 6 -6.379 14.506 9.606 1.00 34.33 H new ATOM 0 HD2 PRO A 6 -6.345 11.712 8.403 1.00 4.42 H new ATOM 0 HD3 PRO A 6 -6.493 12.169 10.088 1.00 4.42 H new ATOM 93 N VAL A 7 -9.522 14.131 5.737 1.00 54.42 N ATOM 94 CA VAL A 7 -10.258 13.894 4.471 1.00 61.23 C ATOM 95 C VAL A 7 -9.380 14.216 3.237 1.00 13.53 C ATOM 96 O VAL A 7 -8.408 14.985 3.323 1.00 45.55 O ATOM 97 CB VAL A 7 -11.584 14.750 4.426 1.00 11.45 C ATOM 98 CG1 VAL A 7 -12.572 14.310 5.535 1.00 51.15 C ATOM 99 CG2 VAL A 7 -11.280 16.270 4.520 1.00 44.04 C ATOM 0 H VAL A 7 -9.142 15.074 5.815 1.00 54.42 H new ATOM 0 HA VAL A 7 -10.518 12.836 4.439 1.00 61.23 H new ATOM 0 HB VAL A 7 -12.060 14.567 3.463 1.00 11.45 H new ATOM 0 HG11 VAL A 7 -13.476 14.917 5.479 1.00 51.15 H new ATOM 0 HG12 VAL A 7 -12.831 13.260 5.396 1.00 51.15 H new ATOM 0 HG13 VAL A 7 -12.106 14.443 6.511 1.00 51.15 H new ATOM 0 HG21 VAL A 7 -12.214 16.831 4.486 1.00 44.04 H new ATOM 0 HG22 VAL A 7 -10.764 16.481 5.457 1.00 44.04 H new ATOM 0 HG23 VAL A 7 -10.648 16.567 3.683 1.00 44.04 H new ATOM 109 N THR A 8 -9.750 13.630 2.084 1.00 20.11 N ATOM 110 CA THR A 8 -9.048 13.852 0.798 1.00 11.10 C ATOM 111 C THR A 8 -9.596 15.107 0.065 1.00 52.14 C ATOM 112 O THR A 8 -10.670 15.623 0.414 1.00 72.15 O ATOM 113 CB THR A 8 -9.120 12.582 -0.123 1.00 24.33 C ATOM 114 OG1 THR A 8 -8.230 12.740 -1.239 1.00 63.22 O ATOM 115 CG2 THR A 8 -10.544 12.291 -0.633 1.00 43.33 C ATOM 0 H THR A 8 -10.541 12.990 2.013 1.00 20.11 H new ATOM 0 HA THR A 8 -7.998 14.033 1.027 1.00 11.10 H new ATOM 0 HB THR A 8 -8.818 11.730 0.486 1.00 24.33 H new ATOM 0 HG1 THR A 8 -7.541 12.044 -1.209 1.00 63.22 H new ATOM 0 HG21 THR A 8 -10.530 11.402 -1.264 1.00 43.33 H new ATOM 0 HG22 THR A 8 -11.207 12.123 0.216 1.00 43.33 H new ATOM 0 HG23 THR A 8 -10.904 13.141 -1.212 1.00 43.33 H new ATOM 123 N CYS A 9 -8.858 15.596 -0.954 1.00 23.23 N ATOM 124 CA CYS A 9 -9.183 16.883 -1.640 1.00 15.22 C ATOM 125 C CYS A 9 -8.849 16.856 -3.147 1.00 10.01 C ATOM 126 O CYS A 9 -7.964 16.115 -3.585 1.00 60.04 O ATOM 127 CB CYS A 9 -8.434 18.063 -0.967 1.00 50.33 C ATOM 128 SG CYS A 9 -8.943 18.389 0.742 1.00 14.23 S ATOM 0 H CYS A 9 -8.033 15.126 -1.326 1.00 23.23 H new ATOM 0 HA CYS A 9 -10.260 17.022 -1.542 1.00 15.22 H new ATOM 0 HB2 CYS A 9 -7.364 17.855 -0.982 1.00 50.33 H new ATOM 0 HB3 CYS A 9 -8.592 18.964 -1.559 1.00 50.33 H new ATOM 0 HG CYS A 9 -9.891 17.565 1.077 1.00 14.23 H new ATOM 134 N ASP A 10 -9.587 17.696 -3.921 1.00 13.41 N ATOM 135 CA ASP A 10 -9.332 17.964 -5.362 1.00 11.35 C ATOM 136 C ASP A 10 -9.367 16.681 -6.246 1.00 22.34 C ATOM 137 O ASP A 10 -9.810 15.613 -5.815 1.00 24.34 O ATOM 138 CB ASP A 10 -7.976 18.715 -5.529 1.00 54.14 C ATOM 139 CG ASP A 10 -7.946 20.066 -4.796 1.00 22.11 C ATOM 140 OD1 ASP A 10 -8.475 21.057 -5.339 1.00 33.11 O ATOM 141 OD2 ASP A 10 -7.422 20.139 -3.664 1.00 25.32 O ATOM 0 H ASP A 10 -10.387 18.213 -3.556 1.00 13.41 H new ATOM 0 HA ASP A 10 -10.148 18.594 -5.717 1.00 11.35 H new ATOM 0 HB2 ASP A 10 -7.169 18.086 -5.153 1.00 54.14 H new ATOM 0 HB3 ASP A 10 -7.785 18.879 -6.590 1.00 54.14 H new ATOM 146 N ALA A 11 -8.938 16.823 -7.512 1.00 43.40 N ATOM 147 CA ALA A 11 -8.665 15.680 -8.408 1.00 32.05 C ATOM 148 C ALA A 11 -7.186 15.230 -8.295 1.00 12.10 C ATOM 149 O ALA A 11 -6.814 14.164 -8.796 1.00 12.31 O ATOM 150 CB ALA A 11 -9.014 16.059 -9.856 1.00 52.13 C ATOM 0 H ALA A 11 -8.770 17.731 -7.945 1.00 43.40 H new ATOM 0 HA ALA A 11 -9.290 14.840 -8.105 1.00 32.05 H new ATOM 0 HB1 ALA A 11 -8.811 15.213 -10.513 1.00 52.13 H new ATOM 0 HB2 ALA A 11 -10.070 16.322 -9.919 1.00 52.13 H new ATOM 0 HB3 ALA A 11 -8.409 16.911 -10.165 1.00 52.13 H new ATOM 156 N VAL A 12 -6.346 16.073 -7.654 1.00 51.20 N ATOM 157 CA VAL A 12 -4.916 15.765 -7.414 1.00 42.50 C ATOM 158 C VAL A 12 -4.768 14.645 -6.358 1.00 63.55 C ATOM 159 O VAL A 12 -4.294 13.546 -6.663 1.00 61.44 O ATOM 160 CB VAL A 12 -4.120 17.046 -6.926 1.00 63.21 C ATOM 161 CG1 VAL A 12 -2.599 16.769 -6.774 1.00 71.52 C ATOM 162 CG2 VAL A 12 -4.383 18.246 -7.859 1.00 41.34 C ATOM 0 H VAL A 12 -6.636 16.981 -7.290 1.00 51.20 H new ATOM 0 HA VAL A 12 -4.496 15.431 -8.363 1.00 42.50 H new ATOM 0 HB VAL A 12 -4.493 17.300 -5.934 1.00 63.21 H new ATOM 0 HG11 VAL A 12 -2.096 17.676 -6.438 1.00 71.52 H new ATOM 0 HG12 VAL A 12 -2.445 15.976 -6.042 1.00 71.52 H new ATOM 0 HG13 VAL A 12 -2.187 16.461 -7.735 1.00 71.52 H new ATOM 0 HG21 VAL A 12 -3.826 19.113 -7.503 1.00 41.34 H new ATOM 0 HG22 VAL A 12 -4.061 17.998 -8.870 1.00 41.34 H new ATOM 0 HG23 VAL A 12 -5.448 18.477 -7.864 1.00 41.34 H new ATOM 172 N ARG A 13 -5.219 14.941 -5.123 1.00 50.34 N ATOM 173 CA ARG A 13 -5.066 14.030 -3.972 1.00 44.43 C ATOM 174 C ARG A 13 -6.045 12.821 -4.032 1.00 2.44 C ATOM 175 O ARG A 13 -5.637 11.686 -3.779 1.00 11.53 O ATOM 176 CB ARG A 13 -5.240 14.805 -2.636 1.00 64.12 C ATOM 177 CG ARG A 13 -5.093 13.913 -1.393 1.00 35.34 C ATOM 178 CD ARG A 13 -5.536 14.567 -0.082 1.00 14.04 C ATOM 179 NE ARG A 13 -5.723 13.534 0.944 1.00 13.43 N ATOM 180 CZ ARG A 13 -5.547 13.654 2.230 1.00 11.32 C ATOM 181 NH1 ARG A 13 -5.161 14.749 2.774 1.00 13.41 N ATOM 182 NH2 ARG A 13 -5.791 12.650 2.971 1.00 54.22 N ATOM 0 H ARG A 13 -5.697 15.813 -4.896 1.00 50.34 H new ATOM 0 HA ARG A 13 -4.056 13.624 -4.021 1.00 44.43 H new ATOM 0 HB2 ARG A 13 -4.502 15.606 -2.590 1.00 64.12 H new ATOM 0 HB3 ARG A 13 -6.223 15.276 -2.623 1.00 64.12 H new ATOM 0 HG2 ARG A 13 -5.674 13.003 -1.544 1.00 35.34 H new ATOM 0 HG3 ARG A 13 -4.049 13.613 -1.299 1.00 35.34 H new ATOM 0 HD2 ARG A 13 -4.789 15.289 0.247 1.00 14.04 H new ATOM 0 HD3 ARG A 13 -6.465 15.116 -0.233 1.00 14.04 H new ATOM 0 HE ARG A 13 -6.025 12.618 0.613 1.00 13.43 H new ATOM 0 HH11 ARG A 13 -4.979 15.569 2.196 1.00 13.41 H new ATOM 0 HH12 ARG A 13 -5.036 14.800 3.785 1.00 13.41 H new ATOM 0 HH21 ARG A 13 -6.116 11.777 2.556 1.00 54.22 H new ATOM 0 HH22 ARG A 13 -5.661 12.718 3.980 1.00 54.22 H new ATOM 196 N ASN A 14 -7.333 13.075 -4.368 1.00 32.00 N ATOM 197 CA ASN A 14 -8.395 12.026 -4.325 1.00 71.21 C ATOM 198 C ASN A 14 -8.111 10.870 -5.313 1.00 63.54 C ATOM 199 O ASN A 14 -8.326 9.695 -4.990 1.00 5.34 O ATOM 200 CB ASN A 14 -9.790 12.644 -4.606 1.00 13.41 C ATOM 201 CG ASN A 14 -10.950 11.655 -4.397 1.00 51.55 C ATOM 202 OD1 ASN A 14 -10.883 10.761 -3.562 1.00 52.31 O ATOM 203 ND2 ASN A 14 -12.024 11.807 -5.146 1.00 12.21 N ATOM 0 H ASN A 14 -7.666 13.990 -4.671 1.00 32.00 H new ATOM 0 HA ASN A 14 -8.390 11.607 -3.319 1.00 71.21 H new ATOM 0 HB2 ASN A 14 -9.935 13.506 -3.955 1.00 13.41 H new ATOM 0 HB3 ASN A 14 -9.816 13.012 -5.632 1.00 13.41 H new ATOM 0 HD21 ASN A 14 -12.817 11.175 -5.035 1.00 12.21 H new ATOM 0 HD22 ASN A 14 -12.062 12.557 -5.836 1.00 12.21 H new ATOM 210 N LYS A 15 -7.615 11.226 -6.510 1.00 73.03 N ATOM 211 CA LYS A 15 -7.215 10.240 -7.528 1.00 61.43 C ATOM 212 C LYS A 15 -5.987 9.425 -7.062 1.00 44.43 C ATOM 213 O LYS A 15 -5.894 8.246 -7.365 1.00 10.25 O ATOM 214 CB LYS A 15 -6.942 10.938 -8.877 1.00 33.02 C ATOM 215 CG LYS A 15 -6.655 9.970 -10.057 1.00 61.42 C ATOM 216 CD LYS A 15 -6.701 10.674 -11.433 1.00 74.34 C ATOM 217 CE LYS A 15 -5.697 11.833 -11.557 1.00 10.01 C ATOM 218 NZ LYS A 15 -5.794 12.509 -12.875 1.00 22.43 N ATOM 0 H LYS A 15 -7.481 12.195 -6.797 1.00 73.03 H new ATOM 0 HA LYS A 15 -8.039 9.540 -7.668 1.00 61.43 H new ATOM 0 HB2 LYS A 15 -7.802 11.557 -9.132 1.00 33.02 H new ATOM 0 HB3 LYS A 15 -6.091 11.609 -8.759 1.00 33.02 H new ATOM 0 HG2 LYS A 15 -5.674 9.516 -9.919 1.00 61.42 H new ATOM 0 HG3 LYS A 15 -7.385 9.161 -10.043 1.00 61.42 H new ATOM 0 HD2 LYS A 15 -6.499 9.942 -12.215 1.00 74.34 H new ATOM 0 HD3 LYS A 15 -7.708 11.055 -11.605 1.00 74.34 H new ATOM 0 HE2 LYS A 15 -5.878 12.557 -10.763 1.00 10.01 H new ATOM 0 HE3 LYS A 15 -4.685 11.453 -11.417 1.00 10.01 H new ATOM 0 HZ1 LYS A 15 -5.102 13.284 -12.920 1.00 22.43 H new ATOM 0 HZ2 LYS A 15 -5.596 11.824 -13.632 1.00 22.43 H new ATOM 0 HZ3 LYS A 15 -6.752 12.894 -12.998 1.00 22.43 H new ATOM 232 N CYS A 16 -5.070 10.069 -6.298 1.00 74.34 N ATOM 233 CA CYS A 16 -3.890 9.383 -5.703 1.00 25.21 C ATOM 234 C CYS A 16 -4.316 8.268 -4.722 1.00 24.32 C ATOM 235 O CYS A 16 -3.733 7.188 -4.733 1.00 1.22 O ATOM 236 CB CYS A 16 -2.944 10.385 -5.006 1.00 2.33 C ATOM 237 SG CYS A 16 -2.219 11.610 -6.122 1.00 14.05 S ATOM 0 H CYS A 16 -5.123 11.064 -6.078 1.00 74.34 H new ATOM 0 HA CYS A 16 -3.345 8.919 -6.525 1.00 25.21 H new ATOM 0 HB2 CYS A 16 -3.495 10.904 -4.222 1.00 2.33 H new ATOM 0 HB3 CYS A 16 -2.141 9.832 -4.519 1.00 2.33 H new ATOM 0 HG CYS A 16 -3.113 12.503 -6.426 1.00 14.05 H new ATOM 243 N ARG A 17 -5.345 8.549 -3.887 1.00 71.32 N ATOM 244 CA ARG A 17 -5.981 7.534 -3.002 1.00 14.00 C ATOM 245 C ARG A 17 -6.542 6.365 -3.833 1.00 2.33 C ATOM 246 O ARG A 17 -6.280 5.211 -3.546 1.00 41.23 O ATOM 247 CB ARG A 17 -7.113 8.184 -2.152 1.00 24.25 C ATOM 248 CG ARG A 17 -7.819 7.251 -1.109 1.00 51.52 C ATOM 249 CD ARG A 17 -9.206 6.747 -1.569 1.00 2.12 C ATOM 250 NE ARG A 17 -10.158 7.859 -1.796 1.00 22.32 N ATOM 251 CZ ARG A 17 -11.456 7.729 -1.988 1.00 73.31 C ATOM 252 NH1 ARG A 17 -12.015 6.569 -2.067 1.00 52.43 N ATOM 253 NH2 ARG A 17 -12.183 8.779 -2.140 1.00 73.44 N ATOM 0 H ARG A 17 -5.758 9.478 -3.805 1.00 71.32 H new ATOM 0 HA ARG A 17 -5.219 7.144 -2.327 1.00 14.00 H new ATOM 0 HB2 ARG A 17 -6.694 9.038 -1.619 1.00 24.25 H new ATOM 0 HB3 ARG A 17 -7.871 8.573 -2.832 1.00 24.25 H new ATOM 0 HG2 ARG A 17 -7.178 6.393 -0.909 1.00 51.52 H new ATOM 0 HG3 ARG A 17 -7.931 7.791 -0.169 1.00 51.52 H new ATOM 0 HD2 ARG A 17 -9.095 6.172 -2.489 1.00 2.12 H new ATOM 0 HD3 ARG A 17 -9.613 6.071 -0.817 1.00 2.12 H new ATOM 0 HE ARG A 17 -9.777 8.805 -1.804 1.00 22.32 H new ATOM 0 HH11 ARG A 17 -11.450 5.724 -1.980 1.00 52.43 H new ATOM 0 HH12 ARG A 17 -13.021 6.497 -2.216 1.00 52.43 H new ATOM 0 HH21 ARG A 17 -11.755 9.704 -2.112 1.00 73.44 H new ATOM 0 HH22 ARG A 17 -13.188 8.686 -2.289 1.00 73.44 H new ATOM 267 N GLU A 18 -7.297 6.701 -4.883 1.00 4.05 N ATOM 268 CA GLU A 18 -7.911 5.708 -5.790 1.00 21.41 C ATOM 269 C GLU A 18 -6.872 4.897 -6.598 1.00 72.11 C ATOM 270 O GLU A 18 -7.160 3.785 -7.026 1.00 24.14 O ATOM 271 CB GLU A 18 -8.949 6.404 -6.704 1.00 61.24 C ATOM 272 CG GLU A 18 -10.170 6.963 -5.938 1.00 64.54 C ATOM 273 CD GLU A 18 -11.082 5.867 -5.325 1.00 44.23 C ATOM 274 OE1 GLU A 18 -10.705 5.247 -4.299 1.00 42.23 O ATOM 275 OE2 GLU A 18 -12.186 5.631 -5.867 1.00 0.15 O ATOM 0 H GLU A 18 -7.504 7.668 -5.134 1.00 4.05 H new ATOM 0 HA GLU A 18 -8.426 4.971 -5.173 1.00 21.41 H new ATOM 0 HB2 GLU A 18 -8.461 7.219 -7.239 1.00 61.24 H new ATOM 0 HB3 GLU A 18 -9.295 5.693 -7.454 1.00 61.24 H new ATOM 0 HG2 GLU A 18 -9.818 7.617 -5.140 1.00 64.54 H new ATOM 0 HG3 GLU A 18 -10.762 7.577 -6.616 1.00 64.54 H new ATOM 282 N MET A 19 -5.678 5.480 -6.822 1.00 62.44 N ATOM 283 CA MET A 19 -4.522 4.764 -7.416 1.00 2.00 C ATOM 284 C MET A 19 -3.839 3.804 -6.396 1.00 3.44 C ATOM 285 O MET A 19 -3.342 2.741 -6.781 1.00 53.10 O ATOM 286 CB MET A 19 -3.487 5.758 -8.002 1.00 32.01 C ATOM 287 CG MET A 19 -3.964 6.572 -9.215 1.00 60.05 C ATOM 288 SD MET A 19 -2.621 7.446 -10.057 1.00 74.24 S ATOM 289 CE MET A 19 -1.884 8.412 -8.731 1.00 62.45 C ATOM 0 H MET A 19 -5.484 6.456 -6.599 1.00 62.44 H new ATOM 0 HA MET A 19 -4.915 4.154 -8.229 1.00 2.00 H new ATOM 0 HB2 MET A 19 -3.190 6.452 -7.215 1.00 32.01 H new ATOM 0 HB3 MET A 19 -2.596 5.200 -8.289 1.00 32.01 H new ATOM 0 HG2 MET A 19 -4.455 5.904 -9.923 1.00 60.05 H new ATOM 0 HG3 MET A 19 -4.711 7.295 -8.888 1.00 60.05 H new ATOM 0 HE1 MET A 19 -0.976 8.894 -9.093 1.00 62.45 H new ATOM 0 HE2 MET A 19 -2.591 9.173 -8.399 1.00 62.45 H new ATOM 0 HE3 MET A 19 -1.638 7.756 -7.896 1.00 62.45 H new ATOM 299 N LEU A 20 -3.810 4.191 -5.101 1.00 33.41 N ATOM 300 CA LEU A 20 -3.316 3.308 -4.005 1.00 64.05 C ATOM 301 C LEU A 20 -4.298 2.130 -3.775 1.00 12.15 C ATOM 302 O LEU A 20 -3.887 1.013 -3.436 1.00 51.43 O ATOM 303 CB LEU A 20 -3.128 4.111 -2.688 1.00 43.43 C ATOM 304 CG LEU A 20 -2.119 5.301 -2.735 1.00 71.40 C ATOM 305 CD1 LEU A 20 -2.077 6.062 -1.386 1.00 24.32 C ATOM 306 CD2 LEU A 20 -0.713 4.826 -3.164 1.00 4.31 C ATOM 0 H LEU A 20 -4.122 5.109 -4.783 1.00 33.41 H new ATOM 0 HA LEU A 20 -2.348 2.907 -4.305 1.00 64.05 H new ATOM 0 HB2 LEU A 20 -4.100 4.500 -2.384 1.00 43.43 H new ATOM 0 HB3 LEU A 20 -2.804 3.420 -1.910 1.00 43.43 H new ATOM 0 HG LEU A 20 -2.472 6.003 -3.491 1.00 71.40 H new ATOM 0 HD11 LEU A 20 -1.364 6.884 -1.454 1.00 24.32 H new ATOM 0 HD12 LEU A 20 -3.067 6.458 -1.161 1.00 24.32 H new ATOM 0 HD13 LEU A 20 -1.770 5.380 -0.593 1.00 24.32 H new ATOM 0 HD21 LEU A 20 -0.033 5.677 -3.187 1.00 4.31 H new ATOM 0 HD22 LEU A 20 -0.345 4.087 -2.452 1.00 4.31 H new ATOM 0 HD23 LEU A 20 -0.767 4.378 -4.156 1.00 4.31 H new ATOM 318 N THR A 21 -5.601 2.420 -3.961 1.00 22.03 N ATOM 319 CA THR A 21 -6.675 1.407 -3.977 1.00 51.03 C ATOM 320 C THR A 21 -6.504 0.488 -5.207 1.00 31.52 C ATOM 321 O THR A 21 -6.610 -0.732 -5.102 1.00 41.35 O ATOM 322 CB THR A 21 -8.105 2.065 -4.039 1.00 52.43 C ATOM 323 OG1 THR A 21 -8.253 3.068 -3.019 1.00 51.23 O ATOM 324 CG2 THR A 21 -9.227 1.021 -3.877 1.00 50.11 C ATOM 0 H THR A 21 -5.940 3.371 -4.105 1.00 22.03 H new ATOM 0 HA THR A 21 -6.597 0.836 -3.052 1.00 51.03 H new ATOM 0 HB THR A 21 -8.194 2.524 -5.024 1.00 52.43 H new ATOM 0 HG1 THR A 21 -9.147 3.464 -3.077 1.00 51.23 H new ATOM 0 HG21 THR A 21 -10.196 1.518 -3.926 1.00 50.11 H new ATOM 0 HG22 THR A 21 -9.156 0.284 -4.677 1.00 50.11 H new ATOM 0 HG23 THR A 21 -9.123 0.522 -2.914 1.00 50.11 H new ATOM 332 N ALA A 22 -6.206 1.123 -6.367 1.00 75.03 N ATOM 333 CA ALA A 22 -5.988 0.440 -7.661 1.00 72.42 C ATOM 334 C ALA A 22 -4.798 -0.540 -7.613 1.00 43.23 C ATOM 335 O ALA A 22 -4.794 -1.515 -8.335 1.00 71.45 O ATOM 336 CB ALA A 22 -5.789 1.463 -8.787 1.00 30.21 C ATOM 0 H ALA A 22 -6.110 2.137 -6.428 1.00 75.03 H new ATOM 0 HA ALA A 22 -6.884 -0.146 -7.865 1.00 72.42 H new ATOM 0 HB1 ALA A 22 -5.630 0.940 -9.730 1.00 30.21 H new ATOM 0 HB2 ALA A 22 -6.675 2.094 -8.866 1.00 30.21 H new ATOM 0 HB3 ALA A 22 -4.921 2.083 -8.566 1.00 30.21 H new ATOM 342 N ALA A 23 -3.786 -0.246 -6.779 1.00 71.31 N ATOM 343 CA ALA A 23 -2.668 -1.182 -6.495 1.00 71.02 C ATOM 344 C ALA A 23 -3.177 -2.502 -5.863 1.00 71.04 C ATOM 345 O ALA A 23 -2.752 -3.603 -6.231 1.00 54.41 O ATOM 346 CB ALA A 23 -1.662 -0.514 -5.553 1.00 51.31 C ATOM 0 H ALA A 23 -3.713 0.641 -6.281 1.00 71.31 H new ATOM 0 HA ALA A 23 -2.185 -1.426 -7.441 1.00 71.02 H new ATOM 0 HB1 ALA A 23 -0.843 -1.203 -5.347 1.00 51.31 H new ATOM 0 HB2 ALA A 23 -1.268 0.388 -6.022 1.00 51.31 H new ATOM 0 HB3 ALA A 23 -2.158 -0.250 -4.619 1.00 51.31 H new ATOM 352 N LEU A 24 -4.120 -2.352 -4.921 1.00 70.22 N ATOM 353 CA LEU A 24 -4.683 -3.465 -4.128 1.00 45.31 C ATOM 354 C LEU A 24 -5.812 -4.234 -4.880 1.00 0.40 C ATOM 355 O LEU A 24 -6.144 -5.374 -4.520 1.00 23.21 O ATOM 356 CB LEU A 24 -5.197 -2.901 -2.776 1.00 61.13 C ATOM 357 CG LEU A 24 -4.146 -2.119 -1.918 1.00 64.30 C ATOM 358 CD1 LEU A 24 -4.777 -1.537 -0.632 1.00 63.23 C ATOM 359 CD2 LEU A 24 -2.916 -3.000 -1.592 1.00 43.33 C ATOM 0 H LEU A 24 -4.521 -1.445 -4.682 1.00 70.22 H new ATOM 0 HA LEU A 24 -3.893 -4.195 -3.955 1.00 45.31 H new ATOM 0 HB2 LEU A 24 -6.039 -2.238 -2.977 1.00 61.13 H new ATOM 0 HB3 LEU A 24 -5.579 -3.730 -2.180 1.00 61.13 H new ATOM 0 HG LEU A 24 -3.800 -1.278 -2.519 1.00 64.30 H new ATOM 0 HD11 LEU A 24 -4.016 -1.002 -0.064 1.00 63.23 H new ATOM 0 HD12 LEU A 24 -5.580 -0.850 -0.899 1.00 63.23 H new ATOM 0 HD13 LEU A 24 -5.180 -2.348 -0.025 1.00 63.23 H new ATOM 0 HD21 LEU A 24 -2.206 -2.427 -0.996 1.00 43.33 H new ATOM 0 HD22 LEU A 24 -3.236 -3.878 -1.031 1.00 43.33 H new ATOM 0 HD23 LEU A 24 -2.439 -3.316 -2.520 1.00 43.33 H new ATOM 371 N GLN A 25 -6.404 -3.597 -5.915 1.00 53.32 N ATOM 372 CA GLN A 25 -7.483 -4.207 -6.752 1.00 53.15 C ATOM 373 C GLN A 25 -7.089 -4.241 -8.258 1.00 25.20 C ATOM 374 O GLN A 25 -7.958 -4.395 -9.125 1.00 53.43 O ATOM 375 CB GLN A 25 -8.827 -3.434 -6.543 1.00 65.32 C ATOM 376 CG GLN A 25 -8.832 -1.977 -7.065 1.00 45.35 C ATOM 377 CD GLN A 25 -10.118 -1.184 -6.777 1.00 22.43 C ATOM 378 OE1 GLN A 25 -10.765 -1.430 -5.652 1.00 61.24 O flip ATOM 379 NE2 GLN A 25 -10.505 -0.318 -7.548 1.00 50.53 N flip ATOM 0 H GLN A 25 -6.155 -2.650 -6.200 1.00 53.32 H new ATOM 0 HA GLN A 25 -7.618 -5.240 -6.431 1.00 53.15 H new ATOM 0 HB2 GLN A 25 -9.626 -3.985 -7.039 1.00 65.32 H new ATOM 0 HB3 GLN A 25 -9.061 -3.423 -5.478 1.00 65.32 H new ATOM 0 HG2 GLN A 25 -7.990 -1.446 -6.622 1.00 45.35 H new ATOM 0 HG3 GLN A 25 -8.667 -1.993 -8.142 1.00 45.35 H new ATOM 0 HE21 GLN A 25 -9.994 -0.140 -8.413 1.00 50.53 H new ATOM 0 HE22 GLN A 25 -11.339 0.227 -7.326 1.00 50.53 H new ATOM 388 N THR A 26 -5.765 -4.152 -8.552 1.00 62.13 N ATOM 389 CA THR A 26 -5.225 -4.138 -9.952 1.00 11.25 C ATOM 390 C THR A 26 -5.604 -5.413 -10.735 1.00 1.03 C ATOM 391 O THR A 26 -5.738 -5.389 -11.960 1.00 51.21 O ATOM 392 CB THR A 26 -3.663 -3.937 -9.978 1.00 73.45 C ATOM 393 OG1 THR A 26 -3.197 -3.774 -11.333 1.00 22.41 O ATOM 394 CG2 THR A 26 -2.903 -5.096 -9.309 1.00 42.10 C ATOM 0 H THR A 26 -5.041 -4.088 -7.836 1.00 62.13 H new ATOM 0 HA THR A 26 -5.691 -3.285 -10.445 1.00 11.25 H new ATOM 0 HB THR A 26 -3.457 -3.034 -9.403 1.00 73.45 H new ATOM 0 HG1 THR A 26 -2.352 -4.257 -11.449 1.00 22.41 H new ATOM 0 HG21 THR A 26 -1.831 -4.904 -9.356 1.00 42.10 H new ATOM 0 HG22 THR A 26 -3.211 -5.179 -8.267 1.00 42.10 H new ATOM 0 HG23 THR A 26 -3.128 -6.027 -9.829 1.00 42.10 H new ATOM 402 N ASP A 27 -5.740 -6.527 -10.005 1.00 54.12 N ATOM 403 CA ASP A 27 -6.370 -7.757 -10.502 1.00 12.02 C ATOM 404 C ASP A 27 -7.715 -7.942 -9.739 1.00 43.34 C ATOM 405 O ASP A 27 -8.742 -7.427 -10.180 1.00 44.14 O ATOM 406 CB ASP A 27 -5.406 -8.961 -10.319 1.00 40.02 C ATOM 407 CG ASP A 27 -4.004 -8.684 -10.883 1.00 4.35 C ATOM 408 OD1 ASP A 27 -3.848 -8.658 -12.119 1.00 13.14 O ATOM 409 OD2 ASP A 27 -3.057 -8.474 -10.088 1.00 50.24 O ATOM 0 H ASP A 27 -5.412 -6.601 -9.042 1.00 54.12 H new ATOM 0 HA ASP A 27 -6.580 -7.693 -11.570 1.00 12.02 H new ATOM 0 HB2 ASP A 27 -5.327 -9.201 -9.259 1.00 40.02 H new ATOM 0 HB3 ASP A 27 -5.826 -9.837 -10.813 1.00 40.02 H new ATOM 414 N HIS A 28 -7.668 -8.639 -8.575 1.00 61.41 N ATOM 415 CA HIS A 28 -8.761 -8.742 -7.564 1.00 0.01 C ATOM 416 C HIS A 28 -8.145 -9.325 -6.263 1.00 30.41 C ATOM 417 O HIS A 28 -8.776 -10.126 -5.561 1.00 52.33 O ATOM 418 CB HIS A 28 -9.969 -9.631 -8.059 1.00 72.24 C ATOM 419 CG HIS A 28 -11.001 -8.901 -8.882 1.00 32.34 C ATOM 420 ND1 HIS A 28 -11.782 -7.845 -8.572 1.00 31.45 N flip ATOM 421 CD2 HIS A 28 -11.326 -9.238 -10.179 1.00 75.14 C flip ATOM 422 CE1 HIS A 28 -12.556 -7.571 -9.667 1.00 64.32 C flip ATOM 423 NE2 HIS A 28 -12.259 -8.423 -10.623 1.00 62.33 N flip ATOM 0 H HIS A 28 -6.839 -9.166 -8.301 1.00 61.41 H new ATOM 0 HA HIS A 28 -9.177 -7.750 -7.389 1.00 0.01 H new ATOM 0 HB2 HIS A 28 -9.574 -10.458 -8.649 1.00 72.24 H new ATOM 0 HB3 HIS A 28 -10.461 -10.066 -7.189 1.00 72.24 H new ATOM 0 HD2 HIS A 28 -10.883 -10.046 -10.743 1.00 75.14 H new ATOM 0 HE1 HIS A 28 -13.291 -6.783 -9.735 1.00 64.32 H new ATOM 0 HE2 HIS A 28 -12.680 -8.448 -11.552 1.00 62.33 H new ATOM 432 N ASP A 29 -6.920 -8.852 -5.936 1.00 21.40 N ATOM 433 CA ASP A 29 -6.046 -9.470 -4.906 1.00 34.23 C ATOM 434 C ASP A 29 -6.698 -9.472 -3.496 1.00 0.15 C ATOM 435 O ASP A 29 -6.874 -10.527 -2.887 1.00 74.31 O ATOM 436 CB ASP A 29 -4.698 -8.697 -4.878 1.00 54.43 C ATOM 437 CG ASP A 29 -3.626 -9.346 -3.979 1.00 61.21 C ATOM 438 OD1 ASP A 29 -3.037 -10.366 -4.399 1.00 43.32 O ATOM 439 OD2 ASP A 29 -3.363 -8.835 -2.867 1.00 64.20 O ATOM 0 H ASP A 29 -6.507 -8.031 -6.378 1.00 21.40 H new ATOM 0 HA ASP A 29 -5.885 -10.515 -5.172 1.00 34.23 H new ATOM 0 HB2 ASP A 29 -4.311 -8.624 -5.894 1.00 54.43 H new ATOM 0 HB3 ASP A 29 -4.881 -7.679 -4.533 1.00 54.43 H new ATOM 444 N HIS A 30 -7.089 -8.279 -3.013 1.00 61.03 N ATOM 445 CA HIS A 30 -7.736 -8.121 -1.682 1.00 60.32 C ATOM 446 C HIS A 30 -9.219 -8.550 -1.688 1.00 60.53 C ATOM 447 O HIS A 30 -9.763 -8.940 -0.648 1.00 40.30 O ATOM 448 CB HIS A 30 -7.541 -6.681 -1.156 1.00 4.34 C ATOM 449 CG HIS A 30 -6.101 -6.364 -0.831 1.00 75.24 C ATOM 450 ND1 HIS A 30 -5.677 -5.977 0.415 1.00 64.11 N ATOM 451 CD2 HIS A 30 -4.984 -6.412 -1.595 1.00 11.20 C ATOM 452 CE1 HIS A 30 -4.375 -5.798 0.399 1.00 44.53 C ATOM 453 NE2 HIS A 30 -3.927 -6.061 -0.805 1.00 15.40 N ATOM 0 H HIS A 30 -6.971 -7.402 -3.521 1.00 61.03 H new ATOM 0 HA HIS A 30 -7.240 -8.801 -0.990 1.00 60.32 H new ATOM 0 HB2 HIS A 30 -7.904 -5.975 -1.903 1.00 4.34 H new ATOM 0 HB3 HIS A 30 -8.149 -6.540 -0.262 1.00 4.34 H new ATOM 0 HD2 HIS A 30 -4.938 -6.680 -2.640 1.00 11.20 H new ATOM 0 HE1 HIS A 30 -3.773 -5.486 1.239 1.00 44.53 H new ATOM 0 HE2 HIS A 30 -2.952 -6.012 -1.102 1.00 15.40 H new ATOM 462 N VAL A 31 -9.839 -8.506 -2.877 1.00 73.24 N ATOM 463 CA VAL A 31 -11.237 -8.946 -3.110 1.00 75.51 C ATOM 464 C VAL A 31 -11.417 -10.469 -2.819 1.00 41.33 C ATOM 465 O VAL A 31 -12.478 -10.897 -2.351 1.00 74.13 O ATOM 466 CB VAL A 31 -11.661 -8.612 -4.594 1.00 73.42 C ATOM 467 CG1 VAL A 31 -13.102 -9.074 -4.921 1.00 32.42 C ATOM 468 CG2 VAL A 31 -11.477 -7.099 -4.884 1.00 14.43 C ATOM 0 H VAL A 31 -9.383 -8.160 -3.721 1.00 73.24 H new ATOM 0 HA VAL A 31 -11.883 -8.404 -2.419 1.00 75.51 H new ATOM 0 HB VAL A 31 -11.001 -9.177 -5.252 1.00 73.42 H new ATOM 0 HG11 VAL A 31 -13.340 -8.819 -5.954 1.00 32.42 H new ATOM 0 HG12 VAL A 31 -13.177 -10.153 -4.787 1.00 32.42 H new ATOM 0 HG13 VAL A 31 -13.804 -8.576 -4.253 1.00 32.42 H new ATOM 0 HG21 VAL A 31 -11.774 -6.887 -5.911 1.00 14.43 H new ATOM 0 HG22 VAL A 31 -12.097 -6.519 -4.200 1.00 14.43 H new ATOM 0 HG23 VAL A 31 -10.431 -6.826 -4.745 1.00 14.43 H new ATOM 478 N ALA A 32 -10.346 -11.251 -3.091 1.00 13.01 N ATOM 479 CA ALA A 32 -10.299 -12.726 -2.875 1.00 24.42 C ATOM 480 C ALA A 32 -10.704 -13.143 -1.434 1.00 71.53 C ATOM 481 O ALA A 32 -11.511 -14.059 -1.239 1.00 14.31 O ATOM 482 CB ALA A 32 -8.883 -13.245 -3.198 1.00 33.35 C ATOM 0 H ALA A 32 -9.477 -10.876 -3.471 1.00 13.01 H new ATOM 0 HA ALA A 32 -11.031 -13.175 -3.546 1.00 24.42 H new ATOM 0 HB1 ALA A 32 -8.846 -14.323 -3.041 1.00 33.35 H new ATOM 0 HB2 ALA A 32 -8.642 -13.021 -4.237 1.00 33.35 H new ATOM 0 HB3 ALA A 32 -8.159 -12.758 -2.545 1.00 33.35 H new ATOM 488 N ILE A 33 -10.120 -12.464 -0.433 1.00 3.40 N ATOM 489 CA ILE A 33 -10.420 -12.701 1.005 1.00 53.41 C ATOM 490 C ILE A 33 -11.565 -11.762 1.504 1.00 20.22 C ATOM 491 O ILE A 33 -12.171 -12.007 2.550 1.00 32.14 O ATOM 492 CB ILE A 33 -9.079 -12.567 1.853 1.00 15.00 C ATOM 493 CG1 ILE A 33 -8.104 -13.741 1.466 1.00 43.22 C ATOM 494 CG2 ILE A 33 -9.304 -12.509 3.389 1.00 13.24 C ATOM 495 CD1 ILE A 33 -6.771 -13.767 2.204 1.00 71.14 C ATOM 0 H ILE A 33 -9.425 -11.733 -0.589 1.00 3.40 H new ATOM 0 HA ILE A 33 -10.794 -13.716 1.143 1.00 53.41 H new ATOM 0 HB ILE A 33 -8.633 -11.606 1.598 1.00 15.00 H new ATOM 0 HG12 ILE A 33 -8.615 -14.687 1.645 1.00 43.22 H new ATOM 0 HG13 ILE A 33 -7.904 -13.684 0.396 1.00 43.22 H new ATOM 0 HG21 ILE A 33 -8.343 -12.418 3.894 1.00 13.24 H new ATOM 0 HG22 ILE A 33 -9.926 -11.648 3.633 1.00 13.24 H new ATOM 0 HG23 ILE A 33 -9.802 -13.421 3.718 1.00 13.24 H new ATOM 0 HD11 ILE A 33 -6.181 -14.616 1.859 1.00 71.14 H new ATOM 0 HD12 ILE A 33 -6.228 -12.843 2.007 1.00 71.14 H new ATOM 0 HD13 ILE A 33 -6.950 -13.861 3.275 1.00 71.14 H new ATOM 507 N GLY A 34 -11.899 -10.725 0.710 1.00 74.43 N ATOM 508 CA GLY A 34 -13.002 -9.794 1.036 1.00 13.44 C ATOM 509 C GLY A 34 -12.559 -8.579 1.854 1.00 4.40 C ATOM 510 O GLY A 34 -13.370 -7.959 2.549 1.00 23.21 O ATOM 0 H GLY A 34 -11.420 -10.509 -0.164 1.00 74.43 H new ATOM 0 HA2 GLY A 34 -13.461 -9.449 0.109 1.00 13.44 H new ATOM 0 HA3 GLY A 34 -13.770 -10.334 1.590 1.00 13.44 H new ATOM 514 N ALA A 35 -11.259 -8.253 1.781 1.00 0.41 N ATOM 515 CA ALA A 35 -10.681 -7.060 2.428 1.00 43.11 C ATOM 516 C ALA A 35 -10.856 -5.818 1.521 1.00 62.14 C ATOM 517 O ALA A 35 -10.276 -5.764 0.429 1.00 33.13 O ATOM 518 CB ALA A 35 -9.192 -7.313 2.739 1.00 24.30 C ATOM 0 H ALA A 35 -10.575 -8.811 1.270 1.00 0.41 H new ATOM 0 HA ALA A 35 -11.205 -6.866 3.364 1.00 43.11 H new ATOM 0 HB1 ALA A 35 -8.765 -6.431 3.217 1.00 24.30 H new ATOM 0 HB2 ALA A 35 -9.100 -8.169 3.408 1.00 24.30 H new ATOM 0 HB3 ALA A 35 -8.656 -7.518 1.812 1.00 24.30 H new ATOM 524 N ASP A 36 -11.683 -4.841 1.969 1.00 50.35 N ATOM 525 CA ASP A 36 -11.916 -3.574 1.234 1.00 73.40 C ATOM 526 C ASP A 36 -10.597 -2.794 1.005 1.00 3.14 C ATOM 527 O ASP A 36 -10.033 -2.225 1.940 1.00 44.04 O ATOM 528 CB ASP A 36 -12.932 -2.675 1.984 1.00 32.50 C ATOM 529 CG ASP A 36 -14.353 -3.247 2.009 1.00 43.54 C ATOM 530 OD1 ASP A 36 -14.591 -4.241 2.720 1.00 52.40 O ATOM 531 OD2 ASP A 36 -15.248 -2.686 1.336 1.00 32.01 O ATOM 0 H ASP A 36 -12.203 -4.909 2.844 1.00 50.35 H new ATOM 0 HA ASP A 36 -12.329 -3.842 0.261 1.00 73.40 H new ATOM 0 HB2 ASP A 36 -12.589 -2.530 3.009 1.00 32.50 H new ATOM 0 HB3 ASP A 36 -12.953 -1.692 1.513 1.00 32.50 H new ATOM 536 N CYS A 37 -10.128 -2.787 -0.256 1.00 62.34 N ATOM 537 CA CYS A 37 -8.901 -2.070 -0.679 1.00 31.44 C ATOM 538 C CYS A 37 -8.964 -0.556 -0.343 1.00 13.33 C ATOM 539 O CYS A 37 -7.956 0.058 -0.009 1.00 63.12 O ATOM 540 CB CYS A 37 -8.703 -2.257 -2.203 1.00 35.32 C ATOM 541 SG CYS A 37 -8.687 -3.977 -2.756 1.00 4.22 S ATOM 0 H CYS A 37 -10.590 -3.281 -1.019 1.00 62.34 H new ATOM 0 HA CYS A 37 -8.059 -2.492 -0.130 1.00 31.44 H new ATOM 0 HB2 CYS A 37 -9.499 -1.728 -2.727 1.00 35.32 H new ATOM 0 HB3 CYS A 37 -7.764 -1.787 -2.494 1.00 35.32 H new ATOM 0 HG CYS A 37 -9.417 -4.697 -1.956 1.00 4.22 H new ATOM 547 N GLU A 38 -10.181 0.005 -0.437 1.00 11.25 N ATOM 548 CA GLU A 38 -10.468 1.441 -0.199 1.00 14.15 C ATOM 549 C GLU A 38 -10.210 1.896 1.271 1.00 14.30 C ATOM 550 O GLU A 38 -9.606 2.949 1.486 1.00 41.41 O ATOM 551 CB GLU A 38 -11.938 1.748 -0.614 1.00 31.15 C ATOM 552 CG GLU A 38 -12.986 0.797 0.008 1.00 10.42 C ATOM 553 CD GLU A 38 -14.436 1.167 -0.325 1.00 52.33 C ATOM 554 OE1 GLU A 38 -14.824 1.079 -1.510 1.00 73.12 O ATOM 555 OE2 GLU A 38 -15.193 1.558 0.594 1.00 4.20 O ATOM 0 H GLU A 38 -11.012 -0.531 -0.685 1.00 11.25 H new ATOM 0 HA GLU A 38 -9.771 2.012 -0.813 1.00 14.15 H new ATOM 0 HB2 GLU A 38 -12.178 2.772 -0.327 1.00 31.15 H new ATOM 0 HB3 GLU A 38 -12.015 1.695 -1.700 1.00 31.15 H new ATOM 0 HG2 GLU A 38 -12.792 -0.218 -0.338 1.00 10.42 H new ATOM 0 HG3 GLU A 38 -12.862 0.794 1.091 1.00 10.42 H new ATOM 562 N ARG A 39 -10.667 1.099 2.273 1.00 71.43 N ATOM 563 CA ARG A 39 -10.504 1.452 3.719 1.00 73.54 C ATOM 564 C ARG A 39 -9.016 1.371 4.152 1.00 2.33 C ATOM 565 O ARG A 39 -8.570 2.109 5.041 1.00 45.13 O ATOM 566 CB ARG A 39 -11.386 0.551 4.640 1.00 22.41 C ATOM 567 CG ARG A 39 -10.966 -0.934 4.706 1.00 62.13 C ATOM 568 CD ARG A 39 -11.802 -1.767 5.696 1.00 1.31 C ATOM 569 NE ARG A 39 -13.237 -1.794 5.346 1.00 71.23 N ATOM 570 CZ ARG A 39 -14.112 -2.679 5.778 1.00 34.11 C ATOM 571 NH1 ARG A 39 -13.759 -3.671 6.537 1.00 0.12 N ATOM 572 NH2 ARG A 39 -15.347 -2.572 5.427 1.00 1.25 N ATOM 0 H ARG A 39 -11.148 0.214 2.114 1.00 71.43 H new ATOM 0 HA ARG A 39 -10.843 2.481 3.834 1.00 73.54 H new ATOM 0 HB2 ARG A 39 -11.367 0.962 5.649 1.00 22.41 H new ATOM 0 HB3 ARG A 39 -12.418 0.605 4.293 1.00 22.41 H new ATOM 0 HG2 ARG A 39 -11.053 -1.372 3.712 1.00 62.13 H new ATOM 0 HG3 ARG A 39 -9.915 -0.994 4.990 1.00 62.13 H new ATOM 0 HD2 ARG A 39 -11.419 -2.787 5.721 1.00 1.31 H new ATOM 0 HD3 ARG A 39 -11.684 -1.358 6.699 1.00 1.31 H new ATOM 0 HE ARG A 39 -13.579 -1.067 4.718 1.00 71.23 H new ATOM 0 HH11 ARG A 39 -12.783 -3.780 6.813 1.00 0.12 H new ATOM 0 HH12 ARG A 39 -14.457 -4.342 6.857 1.00 0.12 H new ATOM 0 HH21 ARG A 39 -15.640 -1.807 4.820 1.00 1.25 H new ATOM 0 HH22 ARG A 39 -16.032 -3.253 5.757 1.00 1.25 H new ATOM 586 N LEU A 40 -8.269 0.458 3.500 1.00 10.11 N ATOM 587 CA LEU A 40 -6.810 0.323 3.673 1.00 72.34 C ATOM 588 C LEU A 40 -6.108 1.575 3.108 1.00 63.25 C ATOM 589 O LEU A 40 -5.393 2.283 3.815 1.00 52.13 O ATOM 590 CB LEU A 40 -6.298 -0.948 2.931 1.00 15.41 C ATOM 591 CG LEU A 40 -7.029 -2.287 3.264 1.00 32.33 C ATOM 592 CD1 LEU A 40 -6.521 -3.444 2.375 1.00 62.22 C ATOM 593 CD2 LEU A 40 -6.910 -2.644 4.760 1.00 52.13 C ATOM 0 H LEU A 40 -8.663 -0.209 2.836 1.00 10.11 H new ATOM 0 HA LEU A 40 -6.583 0.226 4.735 1.00 72.34 H new ATOM 0 HB2 LEU A 40 -6.378 -0.773 1.858 1.00 15.41 H new ATOM 0 HB3 LEU A 40 -5.239 -1.072 3.156 1.00 15.41 H new ATOM 0 HG LEU A 40 -8.086 -2.138 3.045 1.00 32.33 H new ATOM 0 HD11 LEU A 40 -7.051 -4.361 2.633 1.00 62.22 H new ATOM 0 HD12 LEU A 40 -6.701 -3.204 1.327 1.00 62.22 H new ATOM 0 HD13 LEU A 40 -5.452 -3.585 2.537 1.00 62.22 H new ATOM 0 HD21 LEU A 40 -7.431 -3.582 4.953 1.00 52.13 H new ATOM 0 HD22 LEU A 40 -5.858 -2.752 5.026 1.00 52.13 H new ATOM 0 HD23 LEU A 40 -7.356 -1.851 5.360 1.00 52.13 H new ATOM 605 N SER A 41 -6.404 1.839 1.823 1.00 42.15 N ATOM 606 CA SER A 41 -5.831 2.940 1.021 1.00 21.10 C ATOM 607 C SER A 41 -6.097 4.337 1.618 1.00 42.31 C ATOM 608 O SER A 41 -5.302 5.252 1.419 1.00 31.12 O ATOM 609 CB SER A 41 -6.393 2.867 -0.403 1.00 40.24 C ATOM 610 OG SER A 41 -5.959 3.949 -1.189 1.00 5.31 O ATOM 0 H SER A 41 -7.070 1.275 1.295 1.00 42.15 H new ATOM 0 HA SER A 41 -4.749 2.808 1.020 1.00 21.10 H new ATOM 0 HB2 SER A 41 -6.084 1.931 -0.869 1.00 40.24 H new ATOM 0 HB3 SER A 41 -7.482 2.859 -0.364 1.00 40.24 H new ATOM 0 HG SER A 41 -6.499 3.998 -2.005 1.00 5.31 H new ATOM 616 N ALA A 42 -7.232 4.486 2.326 1.00 74.45 N ATOM 617 CA ALA A 42 -7.588 5.737 3.038 1.00 64.23 C ATOM 618 C ALA A 42 -6.529 6.092 4.108 1.00 32.31 C ATOM 619 O ALA A 42 -6.084 7.236 4.205 1.00 4.34 O ATOM 620 CB ALA A 42 -8.981 5.597 3.675 1.00 71.44 C ATOM 0 H ALA A 42 -7.929 3.748 2.423 1.00 74.45 H new ATOM 0 HA ALA A 42 -7.610 6.552 2.315 1.00 64.23 H new ATOM 0 HB1 ALA A 42 -9.237 6.519 4.197 1.00 71.44 H new ATOM 0 HB2 ALA A 42 -9.719 5.403 2.897 1.00 71.44 H new ATOM 0 HB3 ALA A 42 -8.975 4.769 4.384 1.00 71.44 H new ATOM 626 N GLN A 43 -6.120 5.074 4.889 1.00 43.23 N ATOM 627 CA GLN A 43 -5.081 5.222 5.935 1.00 12.32 C ATOM 628 C GLN A 43 -3.650 5.278 5.331 1.00 42.52 C ATOM 629 O GLN A 43 -2.786 5.983 5.863 1.00 34.20 O ATOM 630 CB GLN A 43 -5.182 4.065 6.957 1.00 11.00 C ATOM 631 CG GLN A 43 -6.506 4.005 7.743 1.00 21.15 C ATOM 632 CD GLN A 43 -6.575 2.825 8.725 1.00 63.53 C ATOM 633 OE1 GLN A 43 -5.997 1.770 8.500 1.00 41.31 O ATOM 634 NE2 GLN A 43 -7.270 2.998 9.827 1.00 54.44 N ATOM 0 H GLN A 43 -6.496 4.129 4.816 1.00 43.23 H new ATOM 0 HA GLN A 43 -5.261 6.170 6.442 1.00 12.32 H new ATOM 0 HB2 GLN A 43 -5.047 3.121 6.429 1.00 11.00 H new ATOM 0 HB3 GLN A 43 -4.359 4.154 7.666 1.00 11.00 H new ATOM 0 HG2 GLN A 43 -6.636 4.936 8.295 1.00 21.15 H new ATOM 0 HG3 GLN A 43 -7.336 3.933 7.040 1.00 21.15 H new ATOM 0 HE21 GLN A 43 -7.745 3.885 9.997 1.00 54.44 H new ATOM 0 HE22 GLN A 43 -7.335 2.246 10.513 1.00 54.44 H new ATOM 643 N ILE A 44 -3.412 4.521 4.225 1.00 31.14 N ATOM 644 CA ILE A 44 -2.120 4.559 3.481 1.00 30.42 C ATOM 645 C ILE A 44 -1.844 5.993 2.981 1.00 43.44 C ATOM 646 O ILE A 44 -0.731 6.513 3.139 1.00 31.43 O ATOM 647 CB ILE A 44 -2.101 3.561 2.248 1.00 21.22 C ATOM 648 CG1 ILE A 44 -2.349 2.089 2.709 1.00 2.11 C ATOM 649 CG2 ILE A 44 -0.769 3.660 1.451 1.00 63.31 C ATOM 650 CD1 ILE A 44 -2.417 1.053 1.591 1.00 13.24 C ATOM 0 H ILE A 44 -4.097 3.877 3.829 1.00 31.14 H new ATOM 0 HA ILE A 44 -1.341 4.243 4.175 1.00 30.42 H new ATOM 0 HB ILE A 44 -2.914 3.857 1.584 1.00 21.22 H new ATOM 0 HG12 ILE A 44 -1.554 1.803 3.397 1.00 2.11 H new ATOM 0 HG13 ILE A 44 -3.283 2.055 3.270 1.00 2.11 H new ATOM 0 HG21 ILE A 44 -0.793 2.962 0.614 1.00 63.31 H new ATOM 0 HG22 ILE A 44 -0.646 4.675 1.073 1.00 63.31 H new ATOM 0 HG23 ILE A 44 0.066 3.413 2.106 1.00 63.31 H new ATOM 0 HD11 ILE A 44 -2.592 0.066 2.020 1.00 13.24 H new ATOM 0 HD12 ILE A 44 -3.232 1.303 0.912 1.00 13.24 H new ATOM 0 HD13 ILE A 44 -1.476 1.048 1.042 1.00 13.24 H new ATOM 662 N GLU A 45 -2.899 6.622 2.415 1.00 11.23 N ATOM 663 CA GLU A 45 -2.856 8.005 1.915 1.00 14.10 C ATOM 664 C GLU A 45 -2.477 8.998 3.032 1.00 31.13 C ATOM 665 O GLU A 45 -1.529 9.746 2.871 1.00 2.41 O ATOM 666 CB GLU A 45 -4.215 8.418 1.295 1.00 31.23 C ATOM 667 CG GLU A 45 -4.262 9.886 0.803 1.00 53.32 C ATOM 668 CD GLU A 45 -5.656 10.352 0.368 1.00 74.34 C ATOM 669 OE1 GLU A 45 -6.593 10.312 1.197 1.00 14.20 O ATOM 670 OE2 GLU A 45 -5.814 10.824 -0.775 1.00 22.35 O ATOM 0 H GLU A 45 -3.808 6.176 2.294 1.00 11.23 H new ATOM 0 HA GLU A 45 -2.088 8.039 1.142 1.00 14.10 H new ATOM 0 HB2 GLU A 45 -4.436 7.757 0.457 1.00 31.23 H new ATOM 0 HB3 GLU A 45 -5.001 8.268 2.035 1.00 31.23 H new ATOM 0 HG2 GLU A 45 -3.904 10.538 1.600 1.00 53.32 H new ATOM 0 HG3 GLU A 45 -3.574 10.000 -0.035 1.00 53.32 H new ATOM 677 N GLU A 46 -3.219 8.971 4.161 1.00 32.50 N ATOM 678 CA GLU A 46 -3.005 9.904 5.298 1.00 35.53 C ATOM 679 C GLU A 46 -1.556 9.872 5.833 1.00 1.25 C ATOM 680 O GLU A 46 -0.930 10.917 6.012 1.00 73.43 O ATOM 681 CB GLU A 46 -3.994 9.607 6.463 1.00 51.11 C ATOM 682 CG GLU A 46 -5.491 9.788 6.124 1.00 64.15 C ATOM 683 CD GLU A 46 -5.925 11.212 5.704 1.00 1.12 C ATOM 684 OE1 GLU A 46 -5.156 12.193 5.873 1.00 14.42 O ATOM 685 OE2 GLU A 46 -7.055 11.365 5.208 1.00 11.41 O ATOM 0 H GLU A 46 -3.979 8.308 4.313 1.00 32.50 H new ATOM 0 HA GLU A 46 -3.194 10.903 4.906 1.00 35.53 H new ATOM 0 HB2 GLU A 46 -3.836 8.582 6.799 1.00 51.11 H new ATOM 0 HB3 GLU A 46 -3.747 10.258 7.301 1.00 51.11 H new ATOM 0 HG2 GLU A 46 -5.746 9.100 5.318 1.00 64.15 H new ATOM 0 HG3 GLU A 46 -6.078 9.493 6.994 1.00 64.15 H new ATOM 692 N CYS A 47 -1.036 8.658 6.046 1.00 71.02 N ATOM 693 CA CYS A 47 0.297 8.436 6.646 1.00 50.15 C ATOM 694 C CYS A 47 1.453 8.907 5.722 1.00 31.53 C ATOM 695 O CYS A 47 2.428 9.496 6.199 1.00 45.20 O ATOM 696 CB CYS A 47 0.442 6.952 7.018 1.00 72.54 C ATOM 697 SG CYS A 47 -0.854 6.384 8.151 1.00 32.11 S ATOM 0 H CYS A 47 -1.525 7.795 5.808 1.00 71.02 H new ATOM 0 HA CYS A 47 0.372 9.044 7.547 1.00 50.15 H new ATOM 0 HB2 CYS A 47 0.414 6.350 6.110 1.00 72.54 H new ATOM 0 HB3 CYS A 47 1.417 6.791 7.478 1.00 72.54 H new ATOM 0 HG CYS A 47 -1.927 6.097 7.475 1.00 32.11 H new ATOM 703 N ILE A 48 1.331 8.657 4.400 1.00 13.13 N ATOM 704 CA ILE A 48 2.319 9.160 3.407 1.00 51.43 C ATOM 705 C ILE A 48 2.107 10.682 3.137 1.00 23.23 C ATOM 706 O ILE A 48 3.049 11.396 2.788 1.00 71.44 O ATOM 707 CB ILE A 48 2.277 8.324 2.057 1.00 12.31 C ATOM 708 CG1 ILE A 48 3.516 8.640 1.144 1.00 11.01 C ATOM 709 CG2 ILE A 48 0.956 8.548 1.275 1.00 53.21 C ATOM 710 CD1 ILE A 48 3.595 7.820 -0.138 1.00 73.35 C ATOM 0 H ILE A 48 0.568 8.116 3.994 1.00 13.13 H new ATOM 0 HA ILE A 48 3.313 9.026 3.835 1.00 51.43 H new ATOM 0 HB ILE A 48 2.321 7.273 2.341 1.00 12.31 H new ATOM 0 HG12 ILE A 48 3.494 9.698 0.881 1.00 11.01 H new ATOM 0 HG13 ILE A 48 4.426 8.474 1.721 1.00 11.01 H new ATOM 0 HG21 ILE A 48 0.971 7.957 0.359 1.00 53.21 H new ATOM 0 HG22 ILE A 48 0.111 8.240 1.892 1.00 53.21 H new ATOM 0 HG23 ILE A 48 0.856 9.604 1.024 1.00 53.21 H new ATOM 0 HD11 ILE A 48 4.483 8.109 -0.701 1.00 73.35 H new ATOM 0 HD12 ILE A 48 3.652 6.760 0.111 1.00 73.35 H new ATOM 0 HD13 ILE A 48 2.707 8.003 -0.742 1.00 73.35 H new ATOM 722 N PHE A 49 0.862 11.174 3.355 1.00 33.43 N ATOM 723 CA PHE A 49 0.481 12.583 3.092 1.00 12.34 C ATOM 724 C PHE A 49 1.109 13.543 4.132 1.00 13.31 C ATOM 725 O PHE A 49 1.500 14.662 3.789 1.00 1.00 O ATOM 726 CB PHE A 49 -1.066 12.750 3.055 1.00 3.13 C ATOM 727 CG PHE A 49 -1.560 14.023 2.355 1.00 50.30 C ATOM 728 CD1 PHE A 49 -1.704 14.059 0.963 1.00 52.34 C ATOM 729 CD2 PHE A 49 -1.858 15.181 3.072 1.00 2.43 C ATOM 730 CE1 PHE A 49 -2.151 15.203 0.324 1.00 60.21 C ATOM 731 CE2 PHE A 49 -2.308 16.322 2.433 1.00 53.01 C ATOM 732 CZ PHE A 49 -2.445 16.339 1.057 1.00 24.21 C ATOM 0 H PHE A 49 0.096 10.606 3.717 1.00 33.43 H new ATOM 0 HA PHE A 49 0.875 12.848 2.111 1.00 12.34 H new ATOM 0 HB2 PHE A 49 -1.499 11.885 2.552 1.00 3.13 H new ATOM 0 HB3 PHE A 49 -1.442 12.746 4.078 1.00 3.13 H new ATOM 0 HD1 PHE A 49 -1.463 13.183 0.380 1.00 52.34 H new ATOM 0 HD2 PHE A 49 -1.735 15.187 4.145 1.00 2.43 H new ATOM 0 HE1 PHE A 49 -2.270 15.209 -0.749 1.00 60.21 H new ATOM 0 HE2 PHE A 49 -2.553 17.202 3.010 1.00 53.01 H new ATOM 0 HZ PHE A 49 -2.780 17.235 0.557 1.00 24.21 H new ATOM 742 N ARG A 50 1.210 13.079 5.395 1.00 53.45 N ATOM 743 CA ARG A 50 1.816 13.860 6.504 1.00 62.10 C ATOM 744 C ARG A 50 3.283 14.259 6.190 1.00 45.10 C ATOM 745 O ARG A 50 3.657 15.435 6.277 1.00 33.11 O ATOM 746 CB ARG A 50 1.767 13.046 7.829 1.00 74.52 C ATOM 747 CG ARG A 50 0.356 12.659 8.344 1.00 25.43 C ATOM 748 CD ARG A 50 -0.527 13.858 8.779 1.00 34.23 C ATOM 749 NE ARG A 50 -1.100 14.618 7.644 1.00 34.34 N ATOM 750 CZ ARG A 50 -2.250 14.359 7.057 1.00 13.43 C ATOM 751 NH1 ARG A 50 -2.930 13.297 7.342 1.00 54.33 N ATOM 752 NH2 ARG A 50 -2.707 15.165 6.168 1.00 74.45 N ATOM 0 H ARG A 50 0.877 12.158 5.678 1.00 53.45 H new ATOM 0 HA ARG A 50 1.233 14.774 6.616 1.00 62.10 H new ATOM 0 HB2 ARG A 50 2.344 12.132 7.691 1.00 74.52 H new ATOM 0 HB3 ARG A 50 2.268 13.625 8.605 1.00 74.52 H new ATOM 0 HG2 ARG A 50 -0.164 12.108 7.560 1.00 25.43 H new ATOM 0 HG3 ARG A 50 0.466 11.981 9.190 1.00 25.43 H new ATOM 0 HD2 ARG A 50 -1.339 13.491 9.406 1.00 34.23 H new ATOM 0 HD3 ARG A 50 0.069 14.533 9.393 1.00 34.23 H new ATOM 0 HE ARG A 50 -0.560 15.406 7.288 1.00 34.34 H new ATOM 0 HH11 ARG A 50 -2.578 12.637 8.036 1.00 54.33 H new ATOM 0 HH12 ARG A 50 -3.818 13.119 6.873 1.00 54.33 H new ATOM 0 HH21 ARG A 50 -2.180 16.002 5.919 1.00 74.45 H new ATOM 0 HH22 ARG A 50 -3.597 14.968 5.711 1.00 74.45 H new ATOM 766 N ASP A 51 4.093 13.256 5.811 1.00 25.53 N ATOM 767 CA ASP A 51 5.547 13.421 5.587 1.00 12.43 C ATOM 768 C ASP A 51 5.864 13.911 4.151 1.00 50.50 C ATOM 769 O ASP A 51 6.507 14.951 3.958 1.00 34.22 O ATOM 770 CB ASP A 51 6.250 12.062 5.850 1.00 72.43 C ATOM 771 CG ASP A 51 6.007 11.533 7.275 1.00 24.11 C ATOM 772 OD1 ASP A 51 4.888 11.049 7.561 1.00 73.00 O ATOM 773 OD2 ASP A 51 6.918 11.632 8.125 1.00 14.10 O ATOM 0 H ASP A 51 3.761 12.305 5.650 1.00 25.53 H new ATOM 0 HA ASP A 51 5.916 14.182 6.274 1.00 12.43 H new ATOM 0 HB2 ASP A 51 5.893 11.327 5.128 1.00 72.43 H new ATOM 0 HB3 ASP A 51 7.322 12.174 5.687 1.00 72.43 H new ATOM 778 N VAL A 52 5.385 13.162 3.150 1.00 21.35 N ATOM 779 CA VAL A 52 5.729 13.393 1.720 1.00 54.40 C ATOM 780 C VAL A 52 4.663 14.243 1.000 1.00 34.42 C ATOM 781 O VAL A 52 4.988 15.111 0.178 1.00 75.35 O ATOM 782 CB VAL A 52 5.871 12.024 0.948 1.00 60.41 C ATOM 783 CG1 VAL A 52 6.424 12.233 -0.473 1.00 42.45 C ATOM 784 CG2 VAL A 52 6.737 11.025 1.727 1.00 11.52 C ATOM 0 H VAL A 52 4.749 12.378 3.296 1.00 21.35 H new ATOM 0 HA VAL A 52 6.677 13.930 1.715 1.00 54.40 H new ATOM 0 HB VAL A 52 4.870 11.601 0.860 1.00 60.41 H new ATOM 0 HG11 VAL A 52 6.509 11.270 -0.976 1.00 42.45 H new ATOM 0 HG12 VAL A 52 5.748 12.877 -1.035 1.00 42.45 H new ATOM 0 HG13 VAL A 52 7.407 12.700 -0.416 1.00 42.45 H new ATOM 0 HG21 VAL A 52 6.813 10.094 1.165 1.00 11.52 H new ATOM 0 HG22 VAL A 52 7.733 11.443 1.873 1.00 11.52 H new ATOM 0 HG23 VAL A 52 6.281 10.827 2.697 1.00 11.52 H new ATOM 794 N GLY A 53 3.391 13.989 1.346 1.00 43.52 N ATOM 795 CA GLY A 53 2.234 14.501 0.605 1.00 31.32 C ATOM 796 C GLY A 53 1.842 15.950 0.877 1.00 60.43 C ATOM 797 O GLY A 53 0.670 16.292 0.808 1.00 42.31 O ATOM 0 H GLY A 53 3.138 13.419 2.153 1.00 43.52 H new ATOM 0 HA2 GLY A 53 2.437 14.396 -0.461 1.00 31.32 H new ATOM 0 HA3 GLY A 53 1.376 13.867 0.830 1.00 31.32 H new ATOM 801 N ASN A 54 2.813 16.808 1.163 1.00 73.02 N ATOM 802 CA ASN A 54 2.595 18.273 1.301 1.00 45.33 C ATOM 803 C ASN A 54 2.445 18.978 -0.097 1.00 2.11 C ATOM 804 O ASN A 54 2.877 20.122 -0.258 1.00 32.53 O ATOM 805 CB ASN A 54 3.761 18.883 2.146 1.00 14.41 C ATOM 806 CG ASN A 54 5.153 18.379 1.733 1.00 12.43 C ATOM 807 OD1 ASN A 54 5.823 18.949 0.881 1.00 71.23 O ATOM 808 ND2 ASN A 54 5.595 17.297 2.347 1.00 55.11 N ATOM 0 H ASN A 54 3.782 16.524 1.309 1.00 73.02 H new ATOM 0 HA ASN A 54 1.654 18.446 1.822 1.00 45.33 H new ATOM 0 HB2 ASN A 54 3.735 19.969 2.054 1.00 14.41 H new ATOM 0 HB3 ASN A 54 3.597 18.649 3.198 1.00 14.41 H new ATOM 0 HD21 ASN A 54 6.513 16.918 2.115 1.00 55.11 H new ATOM 0 HD22 ASN A 54 5.018 16.840 3.053 1.00 55.11 H new ATOM 815 N THR A 55 1.739 18.297 -1.058 1.00 31.41 N ATOM 816 CA THR A 55 1.612 18.693 -2.492 1.00 14.24 C ATOM 817 C THR A 55 2.920 19.278 -3.065 1.00 63.14 C ATOM 818 O THR A 55 3.052 20.491 -3.276 1.00 2.31 O ATOM 819 CB THR A 55 0.383 19.648 -2.764 1.00 10.44 C ATOM 820 OG1 THR A 55 0.431 20.794 -1.894 1.00 21.43 O ATOM 821 CG2 THR A 55 -0.967 18.920 -2.584 1.00 25.41 C ATOM 0 H THR A 55 1.233 17.438 -0.845 1.00 31.41 H new ATOM 0 HA THR A 55 1.412 17.766 -3.030 1.00 14.24 H new ATOM 0 HB THR A 55 0.456 19.973 -3.802 1.00 10.44 H new ATOM 0 HG1 THR A 55 1.320 21.203 -1.941 1.00 21.43 H new ATOM 0 HG21 THR A 55 -1.784 19.614 -2.781 1.00 25.41 H new ATOM 0 HG22 THR A 55 -1.025 18.084 -3.281 1.00 25.41 H new ATOM 0 HG23 THR A 55 -1.046 18.547 -1.563 1.00 25.41 H new ATOM 829 N ASP A 56 3.902 18.394 -3.267 1.00 15.31 N ATOM 830 CA ASP A 56 5.267 18.781 -3.659 1.00 74.24 C ATOM 831 C ASP A 56 5.830 17.792 -4.712 1.00 33.34 C ATOM 832 O ASP A 56 5.210 16.755 -4.986 1.00 53.51 O ATOM 833 CB ASP A 56 6.144 18.837 -2.380 1.00 3.11 C ATOM 834 CG ASP A 56 7.427 19.650 -2.567 1.00 2.50 C ATOM 835 OD1 ASP A 56 7.366 20.889 -2.474 1.00 44.32 O ATOM 836 OD2 ASP A 56 8.490 19.066 -2.833 1.00 61.33 O ATOM 0 H ASP A 56 3.776 17.387 -3.164 1.00 15.31 H new ATOM 0 HA ASP A 56 5.266 19.765 -4.127 1.00 74.24 H new ATOM 0 HB2 ASP A 56 5.562 19.270 -1.566 1.00 3.11 H new ATOM 0 HB3 ASP A 56 6.405 17.822 -2.081 1.00 3.11 H new ATOM 841 N MET A 57 7.007 18.122 -5.284 1.00 33.41 N ATOM 842 CA MET A 57 7.638 17.349 -6.376 1.00 74.22 C ATOM 843 C MET A 57 7.849 15.847 -6.028 1.00 24.53 C ATOM 844 O MET A 57 7.540 14.995 -6.848 1.00 70.13 O ATOM 845 CB MET A 57 8.978 18.015 -6.811 1.00 72.34 C ATOM 846 CG MET A 57 10.016 18.195 -5.693 1.00 22.33 C ATOM 847 SD MET A 57 11.505 19.043 -6.260 1.00 21.25 S ATOM 848 CE MET A 57 12.438 19.193 -4.735 1.00 5.15 C ATOM 0 H MET A 57 7.550 18.937 -5.000 1.00 33.41 H new ATOM 0 HA MET A 57 6.940 17.368 -7.213 1.00 74.22 H new ATOM 0 HB2 MET A 57 9.423 17.413 -7.604 1.00 72.34 H new ATOM 0 HB3 MET A 57 8.756 18.993 -7.239 1.00 72.34 H new ATOM 0 HG2 MET A 57 9.569 18.760 -4.875 1.00 22.33 H new ATOM 0 HG3 MET A 57 10.288 17.218 -5.294 1.00 22.33 H new ATOM 0 HE1 MET A 57 13.383 19.699 -4.935 1.00 5.15 H new ATOM 0 HE2 MET A 57 11.863 19.771 -4.012 1.00 5.15 H new ATOM 0 HE3 MET A 57 12.636 18.200 -4.331 1.00 5.15 H new ATOM 858 N LYS A 58 8.339 15.531 -4.804 1.00 1.44 N ATOM 859 CA LYS A 58 8.625 14.122 -4.397 1.00 5.31 C ATOM 860 C LYS A 58 7.334 13.275 -4.209 1.00 42.21 C ATOM 861 O LYS A 58 7.347 12.065 -4.443 1.00 43.32 O ATOM 862 CB LYS A 58 9.516 14.039 -3.114 1.00 53.41 C ATOM 863 CG LYS A 58 8.893 14.543 -1.778 1.00 34.25 C ATOM 864 CD LYS A 58 9.037 16.061 -1.541 1.00 2.43 C ATOM 865 CE LYS A 58 8.432 16.521 -0.194 1.00 2.53 C ATOM 866 NZ LYS A 58 8.700 17.963 0.074 1.00 54.14 N ATOM 0 H LYS A 58 8.545 16.222 -4.083 1.00 1.44 H new ATOM 0 HA LYS A 58 9.186 13.693 -5.227 1.00 5.31 H new ATOM 0 HB2 LYS A 58 9.813 12.999 -2.977 1.00 53.41 H new ATOM 0 HB3 LYS A 58 10.426 14.609 -3.298 1.00 53.41 H new ATOM 0 HG2 LYS A 58 7.834 14.284 -1.764 1.00 34.25 H new ATOM 0 HG3 LYS A 58 9.362 14.012 -0.949 1.00 34.25 H new ATOM 0 HD2 LYS A 58 10.093 16.329 -1.569 1.00 2.43 H new ATOM 0 HD3 LYS A 58 8.550 16.598 -2.355 1.00 2.43 H new ATOM 0 HE2 LYS A 58 7.356 16.347 -0.202 1.00 2.53 H new ATOM 0 HE3 LYS A 58 8.846 15.919 0.614 1.00 2.53 H new ATOM 0 HZ1 LYS A 58 9.442 18.050 0.797 1.00 54.14 H new ATOM 0 HZ2 LYS A 58 9.014 18.426 -0.802 1.00 54.14 H new ATOM 0 HZ3 LYS A 58 7.830 18.420 0.415 1.00 54.14 H new ATOM 880 N TYR A 59 6.226 13.943 -3.818 1.00 44.34 N ATOM 881 CA TYR A 59 4.917 13.296 -3.503 1.00 72.21 C ATOM 882 C TYR A 59 4.377 12.390 -4.641 1.00 72.04 C ATOM 883 O TYR A 59 3.820 11.323 -4.365 1.00 45.24 O ATOM 884 CB TYR A 59 3.902 14.406 -3.068 1.00 74.45 C ATOM 885 CG TYR A 59 2.389 14.097 -3.213 1.00 30.24 C ATOM 886 CD1 TYR A 59 1.770 13.079 -2.473 1.00 51.42 C ATOM 887 CD2 TYR A 59 1.579 14.846 -4.075 1.00 72.24 C ATOM 888 CE1 TYR A 59 0.415 12.823 -2.594 1.00 1.44 C ATOM 889 CE2 TYR A 59 0.225 14.591 -4.196 1.00 21.30 C ATOM 890 CZ TYR A 59 -0.353 13.581 -3.451 1.00 75.11 C ATOM 891 OH TYR A 59 -1.699 13.326 -3.574 1.00 33.20 O ATOM 0 H TYR A 59 6.207 14.957 -3.709 1.00 44.34 H new ATOM 0 HA TYR A 59 5.066 12.603 -2.675 1.00 72.21 H new ATOM 0 HB2 TYR A 59 4.096 14.647 -2.023 1.00 74.45 H new ATOM 0 HB3 TYR A 59 4.118 15.304 -3.648 1.00 74.45 H new ATOM 0 HD1 TYR A 59 2.363 12.483 -1.795 1.00 51.42 H new ATOM 0 HD2 TYR A 59 2.021 15.640 -4.658 1.00 72.24 H new ATOM 0 HE1 TYR A 59 -0.039 12.031 -2.018 1.00 1.44 H new ATOM 0 HE2 TYR A 59 -0.379 15.180 -4.871 1.00 21.30 H new ATOM 0 HH TYR A 59 -1.873 12.899 -4.439 1.00 33.20 H new ATOM 901 N LYS A 60 4.586 12.794 -5.905 1.00 73.04 N ATOM 902 CA LYS A 60 4.085 12.034 -7.076 1.00 71.04 C ATOM 903 C LYS A 60 4.751 10.635 -7.186 1.00 12.51 C ATOM 904 O LYS A 60 4.053 9.625 -7.177 1.00 34.10 O ATOM 905 CB LYS A 60 4.268 12.853 -8.395 1.00 32.43 C ATOM 906 CG LYS A 60 3.208 13.969 -8.624 1.00 72.41 C ATOM 907 CD LYS A 60 3.226 15.088 -7.552 1.00 61.34 C ATOM 908 CE LYS A 60 2.095 16.116 -7.743 1.00 23.25 C ATOM 909 NZ LYS A 60 2.206 16.841 -9.032 1.00 11.42 N ATOM 0 H LYS A 60 5.098 13.642 -6.148 1.00 73.04 H new ATOM 0 HA LYS A 60 3.018 11.870 -6.925 1.00 71.04 H new ATOM 0 HB2 LYS A 60 5.258 13.308 -8.389 1.00 32.43 H new ATOM 0 HB3 LYS A 60 4.239 12.165 -9.240 1.00 32.43 H new ATOM 0 HG2 LYS A 60 3.373 14.417 -9.604 1.00 72.41 H new ATOM 0 HG3 LYS A 60 2.217 13.515 -8.644 1.00 72.41 H new ATOM 0 HD2 LYS A 60 3.139 14.639 -6.563 1.00 61.34 H new ATOM 0 HD3 LYS A 60 4.187 15.601 -7.585 1.00 61.34 H new ATOM 0 HE2 LYS A 60 1.132 15.607 -7.697 1.00 23.25 H new ATOM 0 HE3 LYS A 60 2.116 16.833 -6.922 1.00 23.25 H new ATOM 0 HZ1 LYS A 60 1.444 17.545 -9.101 1.00 11.42 H new ATOM 0 HZ2 LYS A 60 3.127 17.322 -9.082 1.00 11.42 H new ATOM 0 HZ3 LYS A 60 2.125 16.165 -9.818 1.00 11.42 H new ATOM 923 N ASN A 61 6.101 10.588 -7.212 1.00 10.10 N ATOM 924 CA ASN A 61 6.863 9.324 -7.419 1.00 22.32 C ATOM 925 C ASN A 61 6.776 8.384 -6.188 1.00 51.33 C ATOM 926 O ASN A 61 6.864 7.171 -6.340 1.00 75.11 O ATOM 927 CB ASN A 61 8.349 9.633 -7.755 1.00 31.04 C ATOM 928 CG ASN A 61 9.163 8.413 -8.218 1.00 72.21 C ATOM 929 OD1 ASN A 61 8.636 7.487 -8.830 1.00 20.43 O ATOM 930 ND2 ASN A 61 10.452 8.406 -7.945 1.00 43.31 N ATOM 0 H ASN A 61 6.692 11.410 -7.092 1.00 10.10 H new ATOM 0 HA ASN A 61 6.406 8.805 -8.262 1.00 22.32 H new ATOM 0 HB2 ASN A 61 8.382 10.394 -8.535 1.00 31.04 H new ATOM 0 HB3 ASN A 61 8.827 10.060 -6.873 1.00 31.04 H new ATOM 0 HD21 ASN A 61 11.032 7.622 -8.243 1.00 43.31 H new ATOM 0 HD22 ASN A 61 10.870 9.185 -7.436 1.00 43.31 H new ATOM 937 N ARG A 62 6.614 8.954 -4.972 1.00 24.42 N ATOM 938 CA ARG A 62 6.439 8.151 -3.725 1.00 74.02 C ATOM 939 C ARG A 62 5.073 7.422 -3.714 1.00 12.12 C ATOM 940 O ARG A 62 4.991 6.266 -3.281 1.00 61.42 O ATOM 941 CB ARG A 62 6.609 9.028 -2.445 1.00 3.40 C ATOM 942 CG ARG A 62 8.066 9.162 -1.923 1.00 11.11 C ATOM 943 CD ARG A 62 9.034 9.804 -2.935 1.00 41.15 C ATOM 944 NE ARG A 62 10.366 10.025 -2.345 1.00 42.22 N ATOM 945 CZ ARG A 62 11.352 10.699 -2.895 1.00 31.44 C ATOM 946 NH1 ARG A 62 11.257 11.202 -4.091 1.00 23.54 N ATOM 947 NH2 ARG A 62 12.452 10.859 -2.236 1.00 62.44 N ATOM 0 H ARG A 62 6.600 9.963 -4.821 1.00 24.42 H new ATOM 0 HA ARG A 62 7.226 7.397 -3.716 1.00 74.02 H new ATOM 0 HB2 ARG A 62 6.222 10.025 -2.653 1.00 3.40 H new ATOM 0 HB3 ARG A 62 5.993 8.606 -1.651 1.00 3.40 H new ATOM 0 HG2 ARG A 62 8.061 9.758 -1.011 1.00 11.11 H new ATOM 0 HG3 ARG A 62 8.438 8.173 -1.656 1.00 11.11 H new ATOM 0 HD2 ARG A 62 9.125 9.161 -3.811 1.00 41.15 H new ATOM 0 HD3 ARG A 62 8.625 10.754 -3.278 1.00 41.15 H new ATOM 0 HE ARG A 62 10.539 9.618 -1.426 1.00 42.22 H new ATOM 0 HH11 ARG A 62 10.400 11.078 -4.630 1.00 23.54 H new ATOM 0 HH12 ARG A 62 12.040 11.720 -4.490 1.00 23.54 H new ATOM 0 HH21 ARG A 62 12.548 10.464 -1.300 1.00 62.44 H new ATOM 0 HH22 ARG A 62 13.224 11.380 -2.652 1.00 62.44 H new ATOM 961 N VAL A 63 4.012 8.113 -4.180 1.00 64.15 N ATOM 962 CA VAL A 63 2.685 7.485 -4.390 1.00 63.23 C ATOM 963 C VAL A 63 2.771 6.399 -5.486 1.00 53.14 C ATOM 964 O VAL A 63 2.326 5.279 -5.274 1.00 51.52 O ATOM 965 CB VAL A 63 1.575 8.556 -4.748 1.00 35.01 C ATOM 966 CG1 VAL A 63 0.242 7.900 -5.210 1.00 5.22 C ATOM 967 CG2 VAL A 63 1.329 9.491 -3.540 1.00 75.34 C ATOM 0 H VAL A 63 4.045 9.104 -4.418 1.00 64.15 H new ATOM 0 HA VAL A 63 2.390 7.016 -3.452 1.00 63.23 H new ATOM 0 HB VAL A 63 1.948 9.141 -5.589 1.00 35.01 H new ATOM 0 HG11 VAL A 63 -0.485 8.678 -5.443 1.00 5.22 H new ATOM 0 HG12 VAL A 63 0.423 7.295 -6.098 1.00 5.22 H new ATOM 0 HG13 VAL A 63 -0.147 7.267 -4.413 1.00 5.22 H new ATOM 0 HG21 VAL A 63 0.564 10.224 -3.797 1.00 75.34 H new ATOM 0 HG22 VAL A 63 0.995 8.902 -2.686 1.00 75.34 H new ATOM 0 HG23 VAL A 63 2.255 10.007 -3.285 1.00 75.34 H new ATOM 977 N ARG A 64 3.404 6.737 -6.630 1.00 23.34 N ATOM 978 CA ARG A 64 3.535 5.816 -7.795 1.00 42.23 C ATOM 979 C ARG A 64 4.412 4.576 -7.480 1.00 13.35 C ATOM 980 O ARG A 64 4.194 3.500 -8.042 1.00 21.32 O ATOM 981 CB ARG A 64 4.090 6.573 -9.028 1.00 61.53 C ATOM 982 CG ARG A 64 3.177 7.720 -9.532 1.00 51.22 C ATOM 983 CD ARG A 64 3.618 8.293 -10.890 1.00 12.11 C ATOM 984 NE ARG A 64 3.524 7.286 -11.960 1.00 1.43 N ATOM 985 CZ ARG A 64 3.734 7.500 -13.240 1.00 30.11 C ATOM 986 NH1 ARG A 64 4.085 8.663 -13.683 1.00 11.54 N ATOM 987 NH2 ARG A 64 3.600 6.528 -14.075 1.00 3.51 N ATOM 0 H ARG A 64 3.838 7.648 -6.778 1.00 23.34 H new ATOM 0 HA ARG A 64 2.534 5.448 -8.021 1.00 42.23 H new ATOM 0 HB2 ARG A 64 5.068 6.985 -8.778 1.00 61.53 H new ATOM 0 HB3 ARG A 64 4.242 5.861 -9.839 1.00 61.53 H new ATOM 0 HG2 ARG A 64 2.154 7.352 -9.615 1.00 51.22 H new ATOM 0 HG3 ARG A 64 3.169 8.521 -8.792 1.00 51.22 H new ATOM 0 HD2 ARG A 64 2.996 9.152 -11.142 1.00 12.11 H new ATOM 0 HD3 ARG A 64 4.644 8.653 -10.818 1.00 12.11 H new ATOM 0 HE ARG A 64 3.273 6.337 -11.683 1.00 1.43 H new ATOM 0 HH11 ARG A 64 4.205 9.441 -13.034 1.00 11.54 H new ATOM 0 HH12 ARG A 64 4.242 8.802 -14.681 1.00 11.54 H new ATOM 0 HH21 ARG A 64 3.333 5.602 -13.741 1.00 3.51 H new ATOM 0 HH22 ARG A 64 3.761 6.685 -15.070 1.00 3.51 H new ATOM 1001 N SER A 65 5.398 4.744 -6.580 1.00 22.13 N ATOM 1002 CA SER A 65 6.245 3.629 -6.090 1.00 21.51 C ATOM 1003 C SER A 65 5.454 2.755 -5.101 1.00 2.15 C ATOM 1004 O SER A 65 5.555 1.532 -5.137 1.00 11.22 O ATOM 1005 CB SER A 65 7.535 4.147 -5.414 1.00 53.01 C ATOM 1006 OG SER A 65 8.354 3.074 -4.971 1.00 21.15 O ATOM 0 H SER A 65 5.633 5.648 -6.171 1.00 22.13 H new ATOM 0 HA SER A 65 6.534 3.031 -6.954 1.00 21.51 H new ATOM 0 HB2 SER A 65 8.092 4.766 -6.117 1.00 53.01 H new ATOM 0 HB3 SER A 65 7.274 4.782 -4.567 1.00 53.01 H new ATOM 0 HG SER A 65 9.163 3.432 -4.549 1.00 21.15 H new ATOM 1012 N ARG A 66 4.650 3.407 -4.234 1.00 2.42 N ATOM 1013 CA ARG A 66 3.738 2.720 -3.288 1.00 41.24 C ATOM 1014 C ARG A 66 2.748 1.803 -4.054 1.00 51.34 C ATOM 1015 O ARG A 66 2.518 0.660 -3.655 1.00 53.44 O ATOM 1016 CB ARG A 66 2.988 3.769 -2.409 1.00 43.04 C ATOM 1017 CG ARG A 66 1.992 3.222 -1.344 1.00 22.14 C ATOM 1018 CD ARG A 66 2.640 2.343 -0.257 1.00 11.11 C ATOM 1019 NE ARG A 66 3.007 1.007 -0.773 1.00 40.33 N ATOM 1020 CZ ARG A 66 4.081 0.333 -0.458 1.00 13.42 C ATOM 1021 NH1 ARG A 66 4.972 0.834 0.329 1.00 64.11 N ATOM 1022 NH2 ARG A 66 4.260 -0.844 -0.958 1.00 40.22 N ATOM 0 H ARG A 66 4.613 4.424 -4.168 1.00 2.42 H new ATOM 0 HA ARG A 66 4.325 2.085 -2.625 1.00 41.24 H new ATOM 0 HB2 ARG A 66 3.734 4.374 -1.894 1.00 43.04 H new ATOM 0 HB3 ARG A 66 2.439 4.436 -3.074 1.00 43.04 H new ATOM 0 HG2 ARG A 66 1.494 4.064 -0.864 1.00 22.14 H new ATOM 0 HG3 ARG A 66 1.220 2.642 -1.850 1.00 22.14 H new ATOM 0 HD2 ARG A 66 3.530 2.840 0.129 1.00 11.11 H new ATOM 0 HD3 ARG A 66 1.950 2.232 0.579 1.00 11.11 H new ATOM 0 HE ARG A 66 2.364 0.572 -1.435 1.00 40.33 H new ATOM 0 HH11 ARG A 66 4.843 1.769 0.715 1.00 64.11 H new ATOM 0 HH12 ARG A 66 5.805 0.295 0.565 1.00 64.11 H new ATOM 0 HH21 ARG A 66 3.566 -1.239 -1.593 1.00 40.22 H new ATOM 0 HH22 ARG A 66 5.095 -1.378 -0.718 1.00 40.22 H new ATOM 1036 N ILE A 67 2.219 2.317 -5.178 1.00 72.24 N ATOM 1037 CA ILE A 67 1.366 1.550 -6.119 1.00 63.21 C ATOM 1038 C ILE A 67 2.153 0.354 -6.715 1.00 73.33 C ATOM 1039 O ILE A 67 1.731 -0.799 -6.598 1.00 0.35 O ATOM 1040 CB ILE A 67 0.856 2.476 -7.295 1.00 21.52 C ATOM 1041 CG1 ILE A 67 0.078 3.711 -6.741 1.00 35.31 C ATOM 1042 CG2 ILE A 67 -0.018 1.693 -8.314 1.00 22.25 C ATOM 1043 CD1 ILE A 67 -0.141 4.814 -7.759 1.00 75.22 C ATOM 0 H ILE A 67 2.369 3.284 -5.466 1.00 72.24 H new ATOM 0 HA ILE A 67 0.508 1.176 -5.561 1.00 63.21 H new ATOM 0 HB ILE A 67 1.739 2.833 -7.825 1.00 21.52 H new ATOM 0 HG12 ILE A 67 -0.891 3.379 -6.367 1.00 35.31 H new ATOM 0 HG13 ILE A 67 0.624 4.119 -5.891 1.00 35.31 H new ATOM 0 HG21 ILE A 67 -0.347 2.367 -9.105 1.00 22.25 H new ATOM 0 HG22 ILE A 67 0.567 0.883 -8.748 1.00 22.25 H new ATOM 0 HG23 ILE A 67 -0.888 1.279 -7.805 1.00 22.25 H new ATOM 0 HD11 ILE A 67 -0.688 5.634 -7.295 1.00 75.22 H new ATOM 0 HD12 ILE A 67 0.823 5.177 -8.116 1.00 75.22 H new ATOM 0 HD13 ILE A 67 -0.716 4.425 -8.599 1.00 75.22 H new ATOM 1055 N SER A 68 3.324 0.674 -7.312 1.00 71.01 N ATOM 1056 CA SER A 68 4.224 -0.290 -8.004 1.00 41.13 C ATOM 1057 C SER A 68 4.590 -1.514 -7.128 1.00 72.31 C ATOM 1058 O SER A 68 4.561 -2.652 -7.599 1.00 21.31 O ATOM 1059 CB SER A 68 5.518 0.440 -8.457 1.00 30.43 C ATOM 1060 OG SER A 68 6.433 -0.439 -9.104 1.00 11.42 O ATOM 0 H SER A 68 3.681 1.629 -7.329 1.00 71.01 H new ATOM 0 HA SER A 68 3.680 -0.673 -8.868 1.00 41.13 H new ATOM 0 HB2 SER A 68 5.256 1.253 -9.135 1.00 30.43 H new ATOM 0 HB3 SER A 68 6.001 0.891 -7.590 1.00 30.43 H new ATOM 0 HG SER A 68 7.232 0.061 -9.374 1.00 11.42 H new ATOM 1066 N ASN A 69 4.898 -1.255 -5.849 1.00 52.02 N ATOM 1067 CA ASN A 69 5.321 -2.296 -4.876 1.00 14.04 C ATOM 1068 C ASN A 69 4.130 -3.170 -4.393 1.00 52.30 C ATOM 1069 O ASN A 69 4.315 -4.336 -4.030 1.00 74.44 O ATOM 1070 CB ASN A 69 6.025 -1.621 -3.668 1.00 1.32 C ATOM 1071 CG ASN A 69 7.275 -0.825 -4.071 1.00 14.00 C ATOM 1072 OD1 ASN A 69 7.996 -1.198 -4.987 1.00 55.42 O ATOM 1073 ND2 ASN A 69 7.528 0.289 -3.408 1.00 1.52 N ATOM 0 H ASN A 69 4.863 -0.317 -5.450 1.00 52.02 H new ATOM 0 HA ASN A 69 6.018 -2.964 -5.382 1.00 14.04 H new ATOM 0 HB2 ASN A 69 5.321 -0.954 -3.170 1.00 1.32 H new ATOM 0 HB3 ASN A 69 6.306 -2.386 -2.944 1.00 1.32 H new ATOM 0 HD21 ASN A 69 8.338 0.857 -3.656 1.00 1.52 H new ATOM 0 HD22 ASN A 69 6.914 0.581 -2.648 1.00 1.52 H new ATOM 1080 N LEU A 70 2.907 -2.594 -4.402 1.00 3.13 N ATOM 1081 CA LEU A 70 1.671 -3.304 -3.963 1.00 44.21 C ATOM 1082 C LEU A 70 1.070 -4.172 -5.092 1.00 52.33 C ATOM 1083 O LEU A 70 0.146 -4.950 -4.852 1.00 21.24 O ATOM 1084 CB LEU A 70 0.610 -2.282 -3.469 1.00 73.24 C ATOM 1085 CG LEU A 70 0.892 -1.589 -2.102 1.00 23.01 C ATOM 1086 CD1 LEU A 70 -0.113 -0.440 -1.830 1.00 72.22 C ATOM 1087 CD2 LEU A 70 0.885 -2.619 -0.952 1.00 73.24 C ATOM 0 H LEU A 70 2.743 -1.635 -4.709 1.00 3.13 H new ATOM 0 HA LEU A 70 1.952 -3.967 -3.145 1.00 44.21 H new ATOM 0 HB2 LEU A 70 0.504 -1.507 -4.228 1.00 73.24 H new ATOM 0 HB3 LEU A 70 -0.350 -2.794 -3.400 1.00 73.24 H new ATOM 0 HG LEU A 70 1.887 -1.146 -2.153 1.00 23.01 H new ATOM 0 HD11 LEU A 70 0.113 0.021 -0.869 1.00 72.22 H new ATOM 0 HD12 LEU A 70 -0.033 0.308 -2.619 1.00 72.22 H new ATOM 0 HD13 LEU A 70 -1.127 -0.840 -1.811 1.00 72.22 H new ATOM 0 HD21 LEU A 70 1.084 -2.112 -0.008 1.00 73.24 H new ATOM 0 HD22 LEU A 70 -0.090 -3.105 -0.904 1.00 73.24 H new ATOM 0 HD23 LEU A 70 1.656 -3.369 -1.130 1.00 73.24 H new ATOM 1099 N LYS A 71 1.576 -3.997 -6.322 1.00 42.14 N ATOM 1100 CA LYS A 71 1.121 -4.760 -7.508 1.00 32.14 C ATOM 1101 C LYS A 71 2.286 -5.534 -8.180 1.00 62.43 C ATOM 1102 O LYS A 71 2.099 -6.130 -9.250 1.00 72.34 O ATOM 1103 CB LYS A 71 0.464 -3.768 -8.504 1.00 31.50 C ATOM 1104 CG LYS A 71 1.438 -2.743 -9.135 1.00 62.12 C ATOM 1105 CD LYS A 71 0.720 -1.603 -9.894 1.00 71.13 C ATOM 1106 CE LYS A 71 -0.256 -2.102 -10.969 1.00 40.42 C ATOM 1107 NZ LYS A 71 0.417 -2.907 -12.023 1.00 11.52 N ATOM 0 H LYS A 71 2.313 -3.323 -6.529 1.00 42.14 H new ATOM 0 HA LYS A 71 0.395 -5.510 -7.194 1.00 32.14 H new ATOM 0 HB2 LYS A 71 -0.010 -4.338 -9.303 1.00 31.50 H new ATOM 0 HB3 LYS A 71 -0.327 -3.226 -7.987 1.00 31.50 H new ATOM 0 HG2 LYS A 71 2.060 -2.312 -8.350 1.00 62.12 H new ATOM 0 HG3 LYS A 71 2.106 -3.263 -9.822 1.00 62.12 H new ATOM 0 HD2 LYS A 71 0.176 -0.987 -9.178 1.00 71.13 H new ATOM 0 HD3 LYS A 71 1.467 -0.962 -10.362 1.00 71.13 H new ATOM 0 HE2 LYS A 71 -1.033 -2.704 -10.498 1.00 40.42 H new ATOM 0 HE3 LYS A 71 -0.751 -1.247 -11.430 1.00 40.42 H new ATOM 0 HZ1 LYS A 71 -0.286 -3.219 -12.723 1.00 11.52 H new ATOM 0 HZ2 LYS A 71 1.141 -2.327 -12.494 1.00 11.52 H new ATOM 0 HZ3 LYS A 71 0.867 -3.739 -11.590 1.00 11.52 H new ATOM 1121 N ASP A 72 3.472 -5.541 -7.529 1.00 73.11 N ATOM 1122 CA ASP A 72 4.723 -6.062 -8.129 1.00 62.43 C ATOM 1123 C ASP A 72 4.703 -7.606 -8.308 1.00 55.44 C ATOM 1124 O ASP A 72 4.296 -8.347 -7.404 1.00 43.13 O ATOM 1125 CB ASP A 72 5.950 -5.623 -7.278 1.00 22.32 C ATOM 1126 CG ASP A 72 7.299 -5.876 -7.982 1.00 43.52 C ATOM 1127 OD1 ASP A 72 7.445 -5.465 -9.158 1.00 34.15 O ATOM 1128 OD2 ASP A 72 8.198 -6.494 -7.387 1.00 2.14 O ATOM 0 H ASP A 72 3.589 -5.188 -6.579 1.00 73.11 H new ATOM 0 HA ASP A 72 4.805 -5.633 -9.128 1.00 62.43 H new ATOM 0 HB2 ASP A 72 5.862 -4.562 -7.046 1.00 22.32 H new ATOM 0 HB3 ASP A 72 5.936 -6.159 -6.329 1.00 22.32 H new ATOM 1133 N ALA A 73 5.145 -8.061 -9.501 1.00 23.44 N ATOM 1134 CA ALA A 73 5.242 -9.494 -9.852 1.00 4.34 C ATOM 1135 C ALA A 73 6.457 -10.162 -9.180 1.00 65.32 C ATOM 1136 O ALA A 73 6.371 -11.312 -8.737 1.00 31.31 O ATOM 1137 CB ALA A 73 5.337 -9.659 -11.378 1.00 10.22 C ATOM 0 H ALA A 73 5.446 -7.440 -10.252 1.00 23.44 H new ATOM 0 HA ALA A 73 4.341 -9.986 -9.486 1.00 4.34 H new ATOM 0 HB1 ALA A 73 5.408 -10.718 -11.626 1.00 10.22 H new ATOM 0 HB2 ALA A 73 4.448 -9.236 -11.846 1.00 10.22 H new ATOM 0 HB3 ALA A 73 6.222 -9.140 -11.746 1.00 10.22 H new ATOM 1143 N LYS A 74 7.590 -9.427 -9.120 1.00 53.40 N ATOM 1144 CA LYS A 74 8.863 -9.947 -8.563 1.00 13.14 C ATOM 1145 C LYS A 74 8.786 -10.089 -7.022 1.00 72.05 C ATOM 1146 O LYS A 74 9.413 -10.981 -6.434 1.00 3.01 O ATOM 1147 CB LYS A 74 10.049 -9.029 -8.978 1.00 11.21 C ATOM 1148 CG LYS A 74 11.450 -9.564 -8.586 1.00 35.13 C ATOM 1149 CD LYS A 74 11.763 -10.938 -9.236 1.00 64.33 C ATOM 1150 CE LYS A 74 13.076 -11.554 -8.733 1.00 33.00 C ATOM 1151 NZ LYS A 74 14.253 -10.693 -9.013 1.00 75.51 N ATOM 0 H LYS A 74 7.650 -8.465 -9.453 1.00 53.40 H new ATOM 0 HA LYS A 74 9.034 -10.941 -8.976 1.00 13.14 H new ATOM 0 HB2 LYS A 74 10.019 -8.886 -10.058 1.00 11.21 H new ATOM 0 HB3 LYS A 74 9.909 -8.049 -8.522 1.00 11.21 H new ATOM 0 HG2 LYS A 74 12.209 -8.842 -8.887 1.00 35.13 H new ATOM 0 HG3 LYS A 74 11.510 -9.656 -7.502 1.00 35.13 H new ATOM 0 HD2 LYS A 74 10.943 -11.626 -9.031 1.00 64.33 H new ATOM 0 HD3 LYS A 74 11.815 -10.818 -10.318 1.00 64.33 H new ATOM 0 HE2 LYS A 74 13.004 -11.727 -7.659 1.00 33.00 H new ATOM 0 HE3 LYS A 74 13.221 -12.526 -9.204 1.00 33.00 H new ATOM 0 HZ1 LYS A 74 15.117 -11.169 -8.684 1.00 75.51 H new ATOM 0 HZ2 LYS A 74 14.321 -10.520 -10.036 1.00 75.51 H new ATOM 0 HZ3 LYS A 74 14.146 -9.786 -8.515 1.00 75.51 H new ATOM 1165 N ASN A 75 7.994 -9.211 -6.382 1.00 53.34 N ATOM 1166 CA ASN A 75 7.705 -9.270 -4.933 1.00 4.03 C ATOM 1167 C ASN A 75 6.163 -9.325 -4.696 1.00 31.54 C ATOM 1168 O ASN A 75 5.526 -8.300 -4.399 1.00 4.53 O ATOM 1169 CB ASN A 75 8.364 -8.062 -4.209 1.00 73.43 C ATOM 1170 CG ASN A 75 8.274 -8.162 -2.682 1.00 40.44 C ATOM 1171 OD1 ASN A 75 9.079 -8.829 -2.054 1.00 23.35 O ATOM 1172 ND2 ASN A 75 7.311 -7.498 -2.072 1.00 11.13 N ATOM 0 H ASN A 75 7.532 -8.435 -6.856 1.00 53.34 H new ATOM 0 HA ASN A 75 8.134 -10.179 -4.511 1.00 4.03 H new ATOM 0 HB2 ASN A 75 9.412 -7.996 -4.503 1.00 73.43 H new ATOM 0 HB3 ASN A 75 7.882 -7.141 -4.537 1.00 73.43 H new ATOM 0 HD21 ASN A 75 7.229 -7.537 -1.056 1.00 11.13 H new ATOM 0 HD22 ASN A 75 6.648 -6.946 -2.616 1.00 11.13 H new ATOM 1179 N PRO A 76 5.523 -10.531 -4.876 1.00 73.12 N ATOM 1180 CA PRO A 76 4.073 -10.726 -4.635 1.00 4.53 C ATOM 1181 C PRO A 76 3.756 -11.106 -3.163 1.00 23.34 C ATOM 1182 O PRO A 76 2.584 -11.225 -2.784 1.00 13.14 O ATOM 1183 CB PRO A 76 3.746 -11.877 -5.616 1.00 61.12 C ATOM 1184 CG PRO A 76 4.980 -12.737 -5.595 1.00 43.02 C ATOM 1185 CD PRO A 76 6.155 -11.798 -5.348 1.00 63.20 C ATOM 0 HA PRO A 76 3.481 -9.824 -4.794 1.00 4.53 H new ATOM 0 HB2 PRO A 76 2.866 -12.435 -5.297 1.00 61.12 H new ATOM 0 HB3 PRO A 76 3.539 -11.501 -6.618 1.00 61.12 H new ATOM 0 HG2 PRO A 76 4.914 -13.491 -4.811 1.00 43.02 H new ATOM 0 HG3 PRO A 76 5.099 -13.268 -6.539 1.00 43.02 H new ATOM 0 HD2 PRO A 76 6.838 -12.204 -4.602 1.00 63.20 H new ATOM 0 HD3 PRO A 76 6.735 -11.639 -6.257 1.00 63.20 H new ATOM 1193 N ASP A 77 4.818 -11.286 -2.346 1.00 4.45 N ATOM 1194 CA ASP A 77 4.701 -11.610 -0.910 1.00 2.12 C ATOM 1195 C ASP A 77 3.990 -10.470 -0.162 1.00 64.20 C ATOM 1196 O ASP A 77 3.099 -10.707 0.650 1.00 51.04 O ATOM 1197 CB ASP A 77 6.106 -11.850 -0.304 1.00 21.23 C ATOM 1198 CG ASP A 77 6.929 -12.855 -1.121 1.00 30.21 C ATOM 1199 OD1 ASP A 77 6.804 -14.077 -0.889 1.00 53.44 O ATOM 1200 OD2 ASP A 77 7.671 -12.422 -2.034 1.00 32.03 O ATOM 0 H ASP A 77 5.783 -11.210 -2.667 1.00 4.45 H new ATOM 0 HA ASP A 77 4.110 -12.519 -0.803 1.00 2.12 H new ATOM 0 HB2 ASP A 77 6.643 -10.903 -0.250 1.00 21.23 H new ATOM 0 HB3 ASP A 77 6.001 -12.215 0.718 1.00 21.23 H new ATOM 1205 N LEU A 78 4.385 -9.223 -0.496 1.00 52.45 N ATOM 1206 CA LEU A 78 3.817 -7.995 0.098 1.00 35.14 C ATOM 1207 C LEU A 78 2.285 -7.897 -0.103 1.00 45.23 C ATOM 1208 O LEU A 78 1.563 -7.506 0.815 1.00 43.01 O ATOM 1209 CB LEU A 78 4.493 -6.744 -0.511 1.00 13.34 C ATOM 1210 CG LEU A 78 4.057 -5.388 0.116 1.00 31.44 C ATOM 1211 CD1 LEU A 78 4.404 -5.348 1.627 1.00 70.34 C ATOM 1212 CD2 LEU A 78 4.660 -4.195 -0.656 1.00 63.45 C ATOM 0 H LEU A 78 5.111 -9.039 -1.189 1.00 52.45 H new ATOM 0 HA LEU A 78 4.012 -8.042 1.169 1.00 35.14 H new ATOM 0 HB2 LEU A 78 5.573 -6.845 -0.404 1.00 13.34 H new ATOM 0 HB3 LEU A 78 4.279 -6.718 -1.579 1.00 13.34 H new ATOM 0 HG LEU A 78 2.974 -5.300 0.030 1.00 31.44 H new ATOM 0 HD11 LEU A 78 4.091 -4.392 2.047 1.00 70.34 H new ATOM 0 HD12 LEU A 78 3.885 -6.157 2.141 1.00 70.34 H new ATOM 0 HD13 LEU A 78 5.480 -5.467 1.757 1.00 70.34 H new ATOM 0 HD21 LEU A 78 4.337 -3.262 -0.194 1.00 63.45 H new ATOM 0 HD22 LEU A 78 5.748 -4.256 -0.628 1.00 63.45 H new ATOM 0 HD23 LEU A 78 4.321 -4.223 -1.692 1.00 63.45 H new ATOM 1224 N ARG A 79 1.826 -8.256 -1.320 1.00 62.00 N ATOM 1225 CA ARG A 79 0.385 -8.317 -1.673 1.00 31.10 C ATOM 1226 C ARG A 79 -0.397 -9.185 -0.658 1.00 23.51 C ATOM 1227 O ARG A 79 -1.392 -8.742 -0.095 1.00 53.15 O ATOM 1228 CB ARG A 79 0.216 -8.890 -3.111 1.00 62.43 C ATOM 1229 CG ARG A 79 0.840 -8.021 -4.225 1.00 11.22 C ATOM 1230 CD ARG A 79 0.715 -8.648 -5.633 1.00 73.20 C ATOM 1231 NE ARG A 79 -0.678 -9.033 -5.961 1.00 3.30 N ATOM 1232 CZ ARG A 79 -1.266 -8.904 -7.135 1.00 54.51 C ATOM 1233 NH1 ARG A 79 -0.694 -8.295 -8.129 1.00 10.13 N ATOM 1234 NH2 ARG A 79 -2.455 -9.379 -7.295 1.00 12.11 N ATOM 0 H ARG A 79 2.443 -8.513 -2.090 1.00 62.00 H new ATOM 0 HA ARG A 79 -0.021 -7.306 -1.639 1.00 31.10 H new ATOM 0 HB2 ARG A 79 0.665 -9.883 -3.148 1.00 62.43 H new ATOM 0 HB3 ARG A 79 -0.847 -9.013 -3.317 1.00 62.43 H new ATOM 0 HG2 ARG A 79 0.358 -7.043 -4.226 1.00 11.22 H new ATOM 0 HG3 ARG A 79 1.894 -7.857 -4.000 1.00 11.22 H new ATOM 0 HD2 ARG A 79 1.077 -7.938 -6.377 1.00 73.20 H new ATOM 0 HD3 ARG A 79 1.356 -9.528 -5.694 1.00 73.20 H new ATOM 0 HE ARG A 79 -1.235 -9.436 -5.208 1.00 3.30 H new ATOM 0 HH11 ARG A 79 0.239 -7.898 -8.015 1.00 10.13 H new ATOM 0 HH12 ARG A 79 -1.177 -8.213 -9.023 1.00 10.13 H new ATOM 0 HH21 ARG A 79 -2.926 -9.846 -6.520 1.00 12.11 H new ATOM 0 HH22 ARG A 79 -2.924 -9.288 -8.196 1.00 12.11 H new ATOM 1248 N ARG A 80 0.145 -10.392 -0.406 1.00 12.24 N ATOM 1249 CA ARG A 80 -0.403 -11.394 0.545 1.00 62.35 C ATOM 1250 C ARG A 80 -0.341 -10.916 2.031 1.00 35.23 C ATOM 1251 O ARG A 80 -1.277 -11.141 2.809 1.00 24.03 O ATOM 1252 CB ARG A 80 0.393 -12.718 0.354 1.00 71.42 C ATOM 1253 CG ARG A 80 0.134 -13.824 1.399 1.00 71.21 C ATOM 1254 CD ARG A 80 0.946 -15.102 1.119 1.00 73.15 C ATOM 1255 NE ARG A 80 2.397 -14.838 0.972 1.00 35.44 N ATOM 1256 CZ ARG A 80 3.311 -15.755 0.713 1.00 53.22 C ATOM 1257 NH1 ARG A 80 3.012 -17.021 0.689 1.00 40.24 N ATOM 1258 NH2 ARG A 80 4.537 -15.403 0.503 1.00 42.14 N ATOM 0 H ARG A 80 0.997 -10.711 -0.867 1.00 12.24 H new ATOM 0 HA ARG A 80 -1.461 -11.543 0.328 1.00 62.35 H new ATOM 0 HB2 ARG A 80 0.161 -13.118 -0.633 1.00 71.42 H new ATOM 0 HB3 ARG A 80 1.457 -12.482 0.361 1.00 71.42 H new ATOM 0 HG2 ARG A 80 0.385 -13.448 2.391 1.00 71.21 H new ATOM 0 HG3 ARG A 80 -0.928 -14.068 1.410 1.00 71.21 H new ATOM 0 HD2 ARG A 80 0.791 -15.811 1.932 1.00 73.15 H new ATOM 0 HD3 ARG A 80 0.573 -15.573 0.209 1.00 73.15 H new ATOM 0 HE ARG A 80 2.714 -13.874 1.079 1.00 35.44 H new ATOM 0 HH11 ARG A 80 2.055 -17.323 0.873 1.00 40.24 H new ATOM 0 HH12 ARG A 80 3.735 -17.712 0.487 1.00 40.24 H new ATOM 0 HH21 ARG A 80 4.798 -14.417 0.537 1.00 42.14 H new ATOM 0 HH22 ARG A 80 5.244 -16.111 0.303 1.00 42.14 H new ATOM 1272 N ASN A 81 0.765 -10.253 2.398 1.00 74.42 N ATOM 1273 CA ASN A 81 1.027 -9.784 3.785 1.00 52.04 C ATOM 1274 C ASN A 81 0.084 -8.616 4.196 1.00 64.34 C ATOM 1275 O ASN A 81 -0.344 -8.528 5.352 1.00 4.35 O ATOM 1276 CB ASN A 81 2.518 -9.368 3.917 1.00 42.04 C ATOM 1277 CG ASN A 81 3.506 -10.547 3.843 1.00 4.03 C ATOM 1278 OD1 ASN A 81 3.218 -11.601 3.283 1.00 61.52 O ATOM 1279 ND2 ASN A 81 4.697 -10.365 4.386 1.00 1.10 N ATOM 0 H ASN A 81 1.513 -10.021 1.744 1.00 74.42 H new ATOM 0 HA ASN A 81 0.819 -10.607 4.468 1.00 52.04 H new ATOM 0 HB2 ASN A 81 2.757 -8.657 3.127 1.00 42.04 H new ATOM 0 HB3 ASN A 81 2.657 -8.850 4.866 1.00 42.04 H new ATOM 0 HD21 ASN A 81 5.395 -11.107 4.344 1.00 1.10 H new ATOM 0 HD22 ASN A 81 4.918 -9.482 4.847 1.00 1.10 H new ATOM 1286 N VAL A 82 -0.223 -7.720 3.241 1.00 64.53 N ATOM 1287 CA VAL A 82 -1.191 -6.610 3.446 1.00 72.53 C ATOM 1288 C VAL A 82 -2.655 -7.109 3.227 1.00 2.50 C ATOM 1289 O VAL A 82 -3.611 -6.531 3.764 1.00 33.52 O ATOM 1290 CB VAL A 82 -0.851 -5.384 2.496 1.00 32.33 C ATOM 1291 CG1 VAL A 82 -1.809 -4.179 2.709 1.00 30.42 C ATOM 1292 CG2 VAL A 82 0.627 -4.940 2.680 1.00 2.11 C ATOM 0 H VAL A 82 0.187 -7.738 2.307 1.00 64.53 H new ATOM 0 HA VAL A 82 -1.106 -6.265 4.476 1.00 72.53 H new ATOM 0 HB VAL A 82 -0.995 -5.730 1.473 1.00 32.33 H new ATOM 0 HG11 VAL A 82 -1.531 -3.369 2.034 1.00 30.42 H new ATOM 0 HG12 VAL A 82 -2.834 -4.488 2.502 1.00 30.42 H new ATOM 0 HG13 VAL A 82 -1.735 -3.833 3.740 1.00 30.42 H new ATOM 0 HG21 VAL A 82 0.839 -4.099 2.020 1.00 2.11 H new ATOM 0 HG22 VAL A 82 0.790 -4.639 3.715 1.00 2.11 H new ATOM 0 HG23 VAL A 82 1.290 -5.770 2.434 1.00 2.11 H new ATOM 1302 N LEU A 83 -2.805 -8.202 2.441 1.00 24.14 N ATOM 1303 CA LEU A 83 -4.112 -8.864 2.157 1.00 33.11 C ATOM 1304 C LEU A 83 -4.795 -9.344 3.466 1.00 33.43 C ATOM 1305 O LEU A 83 -5.945 -8.987 3.753 1.00 51.41 O ATOM 1306 CB LEU A 83 -3.891 -10.078 1.187 1.00 31.35 C ATOM 1307 CG LEU A 83 -4.949 -10.308 0.070 1.00 54.10 C ATOM 1308 CD1 LEU A 83 -4.577 -11.531 -0.805 1.00 41.43 C ATOM 1309 CD2 LEU A 83 -6.373 -10.445 0.650 1.00 64.30 C ATOM 0 H LEU A 83 -2.018 -8.657 1.979 1.00 24.14 H new ATOM 0 HA LEU A 83 -4.770 -8.135 1.683 1.00 33.11 H new ATOM 0 HB2 LEU A 83 -2.919 -9.954 0.709 1.00 31.35 H new ATOM 0 HB3 LEU A 83 -3.836 -10.984 1.790 1.00 31.35 H new ATOM 0 HG LEU A 83 -4.946 -9.425 -0.569 1.00 54.10 H new ATOM 0 HD11 LEU A 83 -5.333 -11.669 -1.578 1.00 41.43 H new ATOM 0 HD12 LEU A 83 -3.607 -11.362 -1.273 1.00 41.43 H new ATOM 0 HD13 LEU A 83 -4.529 -12.424 -0.181 1.00 41.43 H new ATOM 0 HD21 LEU A 83 -7.083 -10.604 -0.162 1.00 64.30 H new ATOM 0 HD22 LEU A 83 -6.407 -11.293 1.334 1.00 64.30 H new ATOM 0 HD23 LEU A 83 -6.636 -9.534 1.188 1.00 64.30 H new ATOM 1321 N CYS A 84 -4.055 -10.157 4.237 1.00 73.31 N ATOM 1322 CA CYS A 84 -4.546 -10.755 5.501 1.00 42.02 C ATOM 1323 C CYS A 84 -4.455 -9.763 6.687 1.00 22.12 C ATOM 1324 O CYS A 84 -4.935 -10.060 7.787 1.00 1.22 O ATOM 1325 CB CYS A 84 -3.732 -12.026 5.819 1.00 14.21 C ATOM 1326 SG CYS A 84 -1.990 -11.709 6.200 1.00 75.24 S ATOM 0 H CYS A 84 -3.097 -10.422 4.006 1.00 73.31 H new ATOM 0 HA CYS A 84 -5.598 -11.007 5.365 1.00 42.02 H new ATOM 0 HB2 CYS A 84 -4.191 -12.537 6.665 1.00 14.21 H new ATOM 0 HB3 CYS A 84 -3.790 -12.704 4.968 1.00 14.21 H new ATOM 0 HG CYS A 84 -1.348 -11.441 5.102 1.00 75.24 H new ATOM 1332 N GLY A 85 -3.839 -8.586 6.446 1.00 43.30 N ATOM 1333 CA GLY A 85 -3.714 -7.527 7.461 1.00 24.05 C ATOM 1334 C GLY A 85 -2.593 -7.762 8.482 1.00 70.12 C ATOM 1335 O GLY A 85 -2.696 -7.318 9.632 1.00 52.31 O ATOM 0 H GLY A 85 -3.418 -8.348 5.548 1.00 43.30 H new ATOM 0 HA2 GLY A 85 -3.538 -6.576 6.958 1.00 24.05 H new ATOM 0 HA3 GLY A 85 -4.661 -7.436 7.993 1.00 24.05 H new ATOM 1339 N ALA A 86 -1.524 -8.469 8.059 1.00 65.02 N ATOM 1340 CA ALA A 86 -0.315 -8.682 8.892 1.00 3.54 C ATOM 1341 C ALA A 86 0.467 -7.356 9.084 1.00 12.11 C ATOM 1342 O ALA A 86 0.982 -7.072 10.170 1.00 41.45 O ATOM 1343 CB ALA A 86 0.582 -9.765 8.268 1.00 1.24 C ATOM 0 H ALA A 86 -1.471 -8.906 7.139 1.00 65.02 H new ATOM 0 HA ALA A 86 -0.633 -9.026 9.876 1.00 3.54 H new ATOM 0 HB1 ALA A 86 1.465 -9.910 8.891 1.00 1.24 H new ATOM 0 HB2 ALA A 86 0.028 -10.701 8.200 1.00 1.24 H new ATOM 0 HB3 ALA A 86 0.889 -9.452 7.270 1.00 1.24 H new ATOM 1349 N ILE A 87 0.565 -6.565 7.996 1.00 62.11 N ATOM 1350 CA ILE A 87 1.103 -5.182 8.025 1.00 21.24 C ATOM 1351 C ILE A 87 -0.082 -4.180 8.017 1.00 40.41 C ATOM 1352 O ILE A 87 -1.021 -4.334 7.219 1.00 64.23 O ATOM 1353 CB ILE A 87 2.082 -4.901 6.798 1.00 24.25 C ATOM 1354 CG1 ILE A 87 3.449 -5.675 6.939 1.00 73.11 C ATOM 1355 CG2 ILE A 87 2.353 -3.383 6.607 1.00 23.24 C ATOM 1356 CD1 ILE A 87 3.382 -7.188 6.783 1.00 23.12 C ATOM 0 H ILE A 87 0.273 -6.866 7.066 1.00 62.11 H new ATOM 0 HA ILE A 87 1.690 -5.056 8.935 1.00 21.24 H new ATOM 0 HB ILE A 87 1.568 -5.274 5.912 1.00 24.25 H new ATOM 0 HG12 ILE A 87 4.143 -5.284 6.195 1.00 73.11 H new ATOM 0 HG13 ILE A 87 3.871 -5.450 7.918 1.00 73.11 H new ATOM 0 HG21 ILE A 87 3.024 -3.237 5.761 1.00 23.24 H new ATOM 0 HG22 ILE A 87 1.412 -2.866 6.417 1.00 23.24 H new ATOM 0 HG23 ILE A 87 2.813 -2.979 7.509 1.00 23.24 H new ATOM 0 HD11 ILE A 87 4.380 -7.610 6.900 1.00 23.12 H new ATOM 0 HD12 ILE A 87 2.721 -7.603 7.544 1.00 23.12 H new ATOM 0 HD13 ILE A 87 2.997 -7.435 5.794 1.00 23.12 H new ATOM 1368 N THR A 88 -0.039 -3.165 8.910 1.00 64.03 N ATOM 1369 CA THR A 88 -1.089 -2.114 8.979 1.00 72.25 C ATOM 1370 C THR A 88 -0.898 -1.062 7.857 1.00 52.14 C ATOM 1371 O THR A 88 0.241 -0.799 7.447 1.00 60.12 O ATOM 1372 CB THR A 88 -1.111 -1.380 10.365 1.00 55.43 C ATOM 1373 OG1 THR A 88 0.091 -0.617 10.543 1.00 62.23 O ATOM 1374 CG2 THR A 88 -1.274 -2.369 11.536 1.00 51.31 C ATOM 0 H THR A 88 0.709 -3.049 9.593 1.00 64.03 H new ATOM 0 HA THR A 88 -2.041 -2.628 8.847 1.00 72.25 H new ATOM 0 HB THR A 88 -1.973 -0.713 10.365 1.00 55.43 H new ATOM 0 HG1 THR A 88 0.064 -0.163 11.411 1.00 62.23 H new ATOM 0 HG21 THR A 88 -1.284 -1.820 12.477 1.00 51.31 H new ATOM 0 HG22 THR A 88 -2.211 -2.914 11.424 1.00 51.31 H new ATOM 0 HG23 THR A 88 -0.442 -3.073 11.536 1.00 51.31 H new ATOM 1382 N PRO A 89 -2.016 -0.449 7.336 1.00 61.24 N ATOM 1383 CA PRO A 89 -1.957 0.632 6.305 1.00 71.25 C ATOM 1384 C PRO A 89 -1.077 1.862 6.685 1.00 43.13 C ATOM 1385 O PRO A 89 -0.650 2.617 5.801 1.00 63.21 O ATOM 1386 CB PRO A 89 -3.438 1.032 6.135 1.00 21.12 C ATOM 1387 CG PRO A 89 -4.198 -0.203 6.489 1.00 20.32 C ATOM 1388 CD PRO A 89 -3.433 -0.809 7.643 1.00 62.52 C ATOM 0 HA PRO A 89 -1.476 0.273 5.395 1.00 71.25 H new ATOM 0 HB2 PRO A 89 -3.703 1.863 6.789 1.00 21.12 H new ATOM 0 HB3 PRO A 89 -3.649 1.350 5.114 1.00 21.12 H new ATOM 0 HG2 PRO A 89 -5.224 0.032 6.774 1.00 20.32 H new ATOM 0 HG3 PRO A 89 -4.251 -0.891 5.645 1.00 20.32 H new ATOM 0 HD2 PRO A 89 -3.755 -0.398 8.600 1.00 62.52 H new ATOM 0 HD3 PRO A 89 -3.572 -1.889 7.696 1.00 62.52 H new ATOM 1396 N GLN A 90 -0.817 2.057 7.995 1.00 20.21 N ATOM 1397 CA GLN A 90 0.109 3.112 8.475 1.00 62.52 C ATOM 1398 C GLN A 90 1.577 2.706 8.195 1.00 31.51 C ATOM 1399 O GLN A 90 2.359 3.501 7.655 1.00 60.05 O ATOM 1400 CB GLN A 90 -0.124 3.384 10.001 1.00 25.53 C ATOM 1401 CG GLN A 90 0.633 4.613 10.603 1.00 32.23 C ATOM 1402 CD GLN A 90 2.132 4.391 10.880 1.00 70.12 C ATOM 1403 OE1 GLN A 90 2.559 3.294 11.226 1.00 10.41 O ATOM 1404 NE2 GLN A 90 2.940 5.421 10.714 1.00 61.30 N ATOM 0 H GLN A 90 -1.233 1.500 8.741 1.00 20.21 H new ATOM 0 HA GLN A 90 -0.093 4.036 7.933 1.00 62.52 H new ATOM 0 HB2 GLN A 90 -1.192 3.525 10.165 1.00 25.53 H new ATOM 0 HB3 GLN A 90 0.170 2.494 10.557 1.00 25.53 H new ATOM 0 HG2 GLN A 90 0.528 5.455 9.919 1.00 32.23 H new ATOM 0 HG3 GLN A 90 0.146 4.898 11.536 1.00 32.23 H new ATOM 0 HE21 GLN A 90 2.563 6.324 10.426 1.00 61.30 H new ATOM 0 HE22 GLN A 90 3.942 5.314 10.874 1.00 61.30 H new ATOM 1413 N GLN A 91 1.924 1.451 8.558 1.00 21.24 N ATOM 1414 CA GLN A 91 3.292 0.915 8.396 1.00 41.10 C ATOM 1415 C GLN A 91 3.714 0.872 6.914 1.00 3.53 C ATOM 1416 O GLN A 91 4.783 1.362 6.569 1.00 60.15 O ATOM 1417 CB GLN A 91 3.408 -0.505 9.018 1.00 4.01 C ATOM 1418 CG GLN A 91 3.360 -0.546 10.557 1.00 45.25 C ATOM 1419 CD GLN A 91 3.430 -1.975 11.113 1.00 12.33 C ATOM 1420 OE1 GLN A 91 4.507 -2.515 11.354 1.00 71.31 O ATOM 1421 NE2 GLN A 91 2.287 -2.591 11.331 1.00 64.35 N ATOM 0 H GLN A 91 1.268 0.786 8.968 1.00 21.24 H new ATOM 0 HA GLN A 91 3.966 1.591 8.923 1.00 41.10 H new ATOM 0 HB2 GLN A 91 2.600 -1.124 8.627 1.00 4.01 H new ATOM 0 HB3 GLN A 91 4.343 -0.956 8.686 1.00 4.01 H new ATOM 0 HG2 GLN A 91 4.189 0.037 10.958 1.00 45.25 H new ATOM 0 HG3 GLN A 91 2.441 -0.071 10.901 1.00 45.25 H new ATOM 0 HE21 GLN A 91 1.406 -2.121 11.122 1.00 64.35 H new ATOM 0 HE22 GLN A 91 2.282 -3.539 11.708 1.00 64.35 H new ATOM 1430 N ILE A 92 2.846 0.312 6.052 1.00 33.21 N ATOM 1431 CA ILE A 92 3.152 0.100 4.613 1.00 0.33 C ATOM 1432 C ILE A 92 3.517 1.427 3.870 1.00 71.03 C ATOM 1433 O ILE A 92 4.313 1.424 2.926 1.00 72.32 O ATOM 1434 CB ILE A 92 1.965 -0.647 3.884 1.00 24.02 C ATOM 1435 CG1 ILE A 92 2.358 -1.092 2.442 1.00 60.01 C ATOM 1436 CG2 ILE A 92 0.691 0.214 3.852 1.00 4.40 C ATOM 1437 CD1 ILE A 92 3.589 -1.975 2.373 1.00 13.24 C ATOM 0 H ILE A 92 1.916 -0.007 6.325 1.00 33.21 H new ATOM 0 HA ILE A 92 4.037 -0.535 4.574 1.00 0.33 H new ATOM 0 HB ILE A 92 1.755 -1.545 4.466 1.00 24.02 H new ATOM 0 HG12 ILE A 92 1.518 -1.625 1.998 1.00 60.01 H new ATOM 0 HG13 ILE A 92 2.529 -0.203 1.834 1.00 60.01 H new ATOM 0 HG21 ILE A 92 -0.104 -0.331 3.343 1.00 4.40 H new ATOM 0 HG22 ILE A 92 0.380 0.442 4.872 1.00 4.40 H new ATOM 0 HG23 ILE A 92 0.893 1.143 3.318 1.00 4.40 H new ATOM 0 HD11 ILE A 92 3.791 -2.238 1.335 1.00 13.24 H new ATOM 0 HD12 ILE A 92 4.444 -1.439 2.785 1.00 13.24 H new ATOM 0 HD13 ILE A 92 3.418 -2.884 2.950 1.00 13.24 H new ATOM 1449 N ALA A 93 2.958 2.556 4.344 1.00 72.42 N ATOM 1450 CA ALA A 93 3.243 3.899 3.792 1.00 33.24 C ATOM 1451 C ALA A 93 4.701 4.362 4.089 1.00 63.33 C ATOM 1452 O ALA A 93 5.312 5.066 3.277 1.00 54.03 O ATOM 1453 CB ALA A 93 2.224 4.912 4.342 1.00 10.03 C ATOM 0 H ALA A 93 2.296 2.566 5.120 1.00 72.42 H new ATOM 0 HA ALA A 93 3.148 3.843 2.708 1.00 33.24 H new ATOM 0 HB1 ALA A 93 2.437 5.900 3.934 1.00 10.03 H new ATOM 0 HB2 ALA A 93 1.218 4.609 4.053 1.00 10.03 H new ATOM 0 HB3 ALA A 93 2.295 4.946 5.429 1.00 10.03 H new ATOM 1459 N VAL A 94 5.251 3.947 5.254 1.00 41.14 N ATOM 1460 CA VAL A 94 6.609 4.358 5.718 1.00 43.15 C ATOM 1461 C VAL A 94 7.675 3.221 5.602 1.00 63.22 C ATOM 1462 O VAL A 94 8.868 3.471 5.829 1.00 43.24 O ATOM 1463 CB VAL A 94 6.554 4.893 7.208 1.00 63.24 C ATOM 1464 CG1 VAL A 94 5.623 6.128 7.322 1.00 24.31 C ATOM 1465 CG2 VAL A 94 6.132 3.782 8.210 1.00 61.04 C ATOM 0 H VAL A 94 4.773 3.320 5.901 1.00 41.14 H new ATOM 0 HA VAL A 94 6.925 5.159 5.049 1.00 43.15 H new ATOM 0 HB VAL A 94 7.564 5.202 7.477 1.00 63.24 H new ATOM 0 HG11 VAL A 94 5.604 6.475 8.355 1.00 24.31 H new ATOM 0 HG12 VAL A 94 5.996 6.925 6.679 1.00 24.31 H new ATOM 0 HG13 VAL A 94 4.615 5.853 7.012 1.00 24.31 H new ATOM 0 HG21 VAL A 94 6.107 4.193 9.219 1.00 61.04 H new ATOM 0 HG22 VAL A 94 5.142 3.410 7.945 1.00 61.04 H new ATOM 0 HG23 VAL A 94 6.850 2.963 8.169 1.00 61.04 H new ATOM 1475 N MET A 95 7.252 1.983 5.253 1.00 13.04 N ATOM 1476 CA MET A 95 8.177 0.815 5.132 1.00 21.10 C ATOM 1477 C MET A 95 9.060 0.888 3.854 1.00 13.35 C ATOM 1478 O MET A 95 8.562 1.141 2.747 1.00 54.03 O ATOM 1479 CB MET A 95 7.388 -0.530 5.176 1.00 60.23 C ATOM 1480 CG MET A 95 6.889 -0.929 6.573 1.00 23.13 C ATOM 1481 SD MET A 95 5.771 -2.355 6.548 1.00 71.43 S ATOM 1482 CE MET A 95 6.829 -3.663 5.927 1.00 24.51 C ATOM 0 H MET A 95 6.278 1.760 5.049 1.00 13.04 H new ATOM 0 HA MET A 95 8.848 0.856 5.990 1.00 21.10 H new ATOM 0 HB2 MET A 95 6.532 -0.457 4.505 1.00 60.23 H new ATOM 0 HB3 MET A 95 8.027 -1.325 4.791 1.00 60.23 H new ATOM 0 HG2 MET A 95 7.746 -1.158 7.207 1.00 23.13 H new ATOM 0 HG3 MET A 95 6.376 -0.080 7.025 1.00 23.13 H new ATOM 0 HE1 MET A 95 6.394 -4.631 6.174 1.00 24.51 H new ATOM 0 HE2 MET A 95 6.922 -3.573 4.845 1.00 24.51 H new ATOM 0 HE3 MET A 95 7.815 -3.581 6.384 1.00 24.51 H new ATOM 1492 N THR A 96 10.375 0.659 4.048 1.00 22.20 N ATOM 1493 CA THR A 96 11.398 0.611 2.969 1.00 25.51 C ATOM 1494 C THR A 96 11.222 -0.665 2.088 1.00 42.34 C ATOM 1495 O THR A 96 10.574 -1.629 2.514 1.00 70.44 O ATOM 1496 CB THR A 96 12.843 0.637 3.609 1.00 4.42 C ATOM 1497 OG1 THR A 96 12.929 1.692 4.582 1.00 63.10 O ATOM 1498 CG2 THR A 96 13.971 0.840 2.579 1.00 15.30 C ATOM 0 H THR A 96 10.769 0.498 4.975 1.00 22.20 H new ATOM 0 HA THR A 96 11.269 1.483 2.328 1.00 25.51 H new ATOM 0 HB THR A 96 12.984 -0.342 4.066 1.00 4.42 H new ATOM 0 HG1 THR A 96 13.826 1.701 4.976 1.00 63.10 H new ATOM 0 HG21 THR A 96 14.934 0.847 3.090 1.00 15.30 H new ATOM 0 HG22 THR A 96 13.952 0.027 1.853 1.00 15.30 H new ATOM 0 HG23 THR A 96 13.827 1.790 2.064 1.00 15.30 H new ATOM 1506 N SER A 97 11.815 -0.657 0.870 1.00 64.13 N ATOM 1507 CA SER A 97 11.741 -1.780 -0.112 1.00 60.33 C ATOM 1508 C SER A 97 12.095 -3.162 0.507 1.00 72.10 C ATOM 1509 O SER A 97 11.380 -4.150 0.300 1.00 52.21 O ATOM 1510 CB SER A 97 12.681 -1.487 -1.306 1.00 10.51 C ATOM 1511 OG SER A 97 14.036 -1.393 -0.880 1.00 41.45 O ATOM 0 H SER A 97 12.364 0.133 0.533 1.00 64.13 H new ATOM 0 HA SER A 97 10.705 -1.842 -0.445 1.00 60.33 H new ATOM 0 HB2 SER A 97 12.585 -2.277 -2.051 1.00 10.51 H new ATOM 0 HB3 SER A 97 12.383 -0.556 -1.788 1.00 10.51 H new ATOM 0 HG SER A 97 14.610 -1.209 -1.653 1.00 41.45 H new ATOM 1517 N GLU A 98 13.185 -3.195 1.297 1.00 61.11 N ATOM 1518 CA GLU A 98 13.689 -4.435 1.944 1.00 40.13 C ATOM 1519 C GLU A 98 12.750 -4.947 3.064 1.00 41.31 C ATOM 1520 O GLU A 98 12.643 -6.160 3.287 1.00 55.12 O ATOM 1521 CB GLU A 98 15.117 -4.204 2.496 1.00 2.14 C ATOM 1522 CG GLU A 98 16.140 -3.770 1.421 1.00 2.23 C ATOM 1523 CD GLU A 98 17.589 -3.785 1.927 1.00 65.22 C ATOM 1524 OE1 GLU A 98 18.045 -2.775 2.497 1.00 13.21 O ATOM 1525 OE2 GLU A 98 18.271 -4.826 1.776 1.00 51.21 O ATOM 0 H GLU A 98 13.744 -2.368 1.508 1.00 61.11 H new ATOM 0 HA GLU A 98 13.716 -5.210 1.178 1.00 40.13 H new ATOM 0 HB2 GLU A 98 15.077 -3.442 3.274 1.00 2.14 H new ATOM 0 HB3 GLU A 98 15.467 -5.122 2.967 1.00 2.14 H new ATOM 0 HG2 GLU A 98 16.056 -4.432 0.559 1.00 2.23 H new ATOM 0 HG3 GLU A 98 15.892 -2.766 1.077 1.00 2.23 H new ATOM 1532 N GLU A 99 12.080 -4.010 3.758 1.00 21.14 N ATOM 1533 CA GLU A 99 11.093 -4.337 4.820 1.00 74.22 C ATOM 1534 C GLU A 99 9.840 -4.997 4.205 1.00 21.45 C ATOM 1535 O GLU A 99 9.260 -5.938 4.761 1.00 21.32 O ATOM 1536 CB GLU A 99 10.690 -3.049 5.602 1.00 73.03 C ATOM 1537 CG GLU A 99 11.865 -2.132 6.001 1.00 23.43 C ATOM 1538 CD GLU A 99 12.986 -2.855 6.763 1.00 53.55 C ATOM 1539 OE1 GLU A 99 12.801 -3.142 7.965 1.00 12.25 O ATOM 1540 OE2 GLU A 99 14.056 -3.130 6.166 1.00 3.41 O ATOM 0 H GLU A 99 12.201 -3.009 3.605 1.00 21.14 H new ATOM 0 HA GLU A 99 11.554 -5.039 5.515 1.00 74.22 H new ATOM 0 HB2 GLU A 99 9.992 -2.475 4.992 1.00 73.03 H new ATOM 0 HB3 GLU A 99 10.156 -3.343 6.505 1.00 73.03 H new ATOM 0 HG2 GLU A 99 12.283 -1.681 5.101 1.00 23.43 H new ATOM 0 HG3 GLU A 99 11.485 -1.318 6.619 1.00 23.43 H new ATOM 1547 N MET A 100 9.452 -4.478 3.030 1.00 34.04 N ATOM 1548 CA MET A 100 8.290 -4.963 2.255 1.00 33.34 C ATOM 1549 C MET A 100 8.580 -6.284 1.505 1.00 40.23 C ATOM 1550 O MET A 100 7.648 -6.945 1.020 1.00 3.32 O ATOM 1551 CB MET A 100 7.861 -3.873 1.251 1.00 13.12 C ATOM 1552 CG MET A 100 7.377 -2.576 1.903 1.00 3.14 C ATOM 1553 SD MET A 100 6.720 -1.411 0.700 1.00 53.03 S ATOM 1554 CE MET A 100 8.150 -1.017 -0.293 1.00 11.34 C ATOM 0 H MET A 100 9.939 -3.701 2.583 1.00 34.04 H new ATOM 0 HA MET A 100 7.487 -5.171 2.962 1.00 33.34 H new ATOM 0 HB2 MET A 100 8.703 -3.646 0.597 1.00 13.12 H new ATOM 0 HB3 MET A 100 7.065 -4.269 0.620 1.00 13.12 H new ATOM 0 HG2 MET A 100 6.607 -2.807 2.639 1.00 3.14 H new ATOM 0 HG3 MET A 100 8.204 -2.112 2.441 1.00 3.14 H new ATOM 0 HE1 MET A 100 7.987 -0.069 -0.805 1.00 11.34 H new ATOM 0 HE2 MET A 100 9.028 -0.937 0.349 1.00 11.34 H new ATOM 0 HE3 MET A 100 8.310 -1.804 -1.030 1.00 11.34 H new ATOM 1564 N ALA A 101 9.870 -6.637 1.394 1.00 21.11 N ATOM 1565 CA ALA A 101 10.310 -7.891 0.759 1.00 11.01 C ATOM 1566 C ALA A 101 10.023 -9.121 1.657 1.00 65.22 C ATOM 1567 O ALA A 101 9.743 -10.209 1.154 1.00 45.21 O ATOM 1568 CB ALA A 101 11.803 -7.793 0.412 1.00 62.12 C ATOM 0 H ALA A 101 10.638 -6.062 1.741 1.00 21.11 H new ATOM 0 HA ALA A 101 9.739 -8.033 -0.159 1.00 11.01 H new ATOM 0 HB1 ALA A 101 12.129 -8.721 -0.058 1.00 62.12 H new ATOM 0 HB2 ALA A 101 11.963 -6.962 -0.275 1.00 62.12 H new ATOM 0 HB3 ALA A 101 12.378 -7.626 1.323 1.00 62.12 H new ATOM 1574 N SER A 102 10.081 -8.901 2.996 1.00 45.12 N ATOM 1575 CA SER A 102 9.805 -9.918 4.069 1.00 62.01 C ATOM 1576 C SER A 102 10.639 -11.235 3.947 1.00 63.44 C ATOM 1577 O SER A 102 10.294 -12.254 4.566 1.00 32.31 O ATOM 1578 CB SER A 102 8.275 -10.226 4.193 1.00 33.12 C ATOM 1579 OG SER A 102 7.762 -10.957 3.088 1.00 3.00 O ATOM 0 H SER A 102 10.327 -7.989 3.380 1.00 45.12 H new ATOM 0 HA SER A 102 10.143 -9.448 4.993 1.00 62.01 H new ATOM 0 HB2 SER A 102 8.097 -10.790 5.108 1.00 33.12 H new ATOM 0 HB3 SER A 102 7.728 -9.288 4.286 1.00 33.12 H new ATOM 0 HG SER A 102 8.344 -10.826 2.310 1.00 3.00 H new ATOM 1585 N ASP A 103 11.771 -11.180 3.200 1.00 53.43 N ATOM 1586 CA ASP A 103 12.725 -12.313 3.048 1.00 45.42 C ATOM 1587 C ASP A 103 13.277 -12.816 4.402 1.00 63.21 C ATOM 1588 O ASP A 103 13.619 -13.994 4.523 1.00 2.21 O ATOM 1589 CB ASP A 103 13.913 -11.900 2.135 1.00 3.21 C ATOM 1590 CG ASP A 103 13.529 -11.799 0.654 1.00 31.24 C ATOM 1591 OD1 ASP A 103 12.676 -10.964 0.315 1.00 50.03 O ATOM 1592 OD2 ASP A 103 14.055 -12.584 -0.170 1.00 21.53 O ATOM 0 H ASP A 103 12.050 -10.346 2.683 1.00 53.43 H new ATOM 0 HA ASP A 103 12.165 -13.130 2.593 1.00 45.42 H new ATOM 0 HB2 ASP A 103 14.303 -10.938 2.469 1.00 3.21 H new ATOM 0 HB3 ASP A 103 14.718 -12.626 2.246 1.00 3.21 H new ATOM 1597 N GLU A 104 13.354 -11.900 5.390 1.00 65.13 N ATOM 1598 CA GLU A 104 13.879 -12.177 6.753 1.00 11.43 C ATOM 1599 C GLU A 104 13.141 -13.369 7.426 1.00 51.22 C ATOM 1600 O GLU A 104 13.773 -14.218 8.060 1.00 72.33 O ATOM 1601 CB GLU A 104 13.772 -10.870 7.608 1.00 23.43 C ATOM 1602 CG GLU A 104 14.495 -10.862 8.989 1.00 51.23 C ATOM 1603 CD GLU A 104 13.744 -11.592 10.126 1.00 63.44 C ATOM 1604 OE1 GLU A 104 12.617 -11.170 10.464 1.00 13.33 O ATOM 1605 OE2 GLU A 104 14.278 -12.576 10.687 1.00 41.44 O ATOM 0 H GLU A 104 13.051 -10.934 5.267 1.00 65.13 H new ATOM 0 HA GLU A 104 14.925 -12.474 6.681 1.00 11.43 H new ATOM 0 HB2 GLU A 104 14.167 -10.045 7.015 1.00 23.43 H new ATOM 0 HB3 GLU A 104 12.715 -10.663 7.778 1.00 23.43 H new ATOM 0 HG2 GLU A 104 15.477 -11.320 8.870 1.00 51.23 H new ATOM 0 HG3 GLU A 104 14.660 -9.827 9.289 1.00 51.23 H new ATOM 1612 N LEU A 105 11.813 -13.436 7.234 1.00 65.30 N ATOM 1613 CA LEU A 105 10.950 -14.470 7.857 1.00 53.53 C ATOM 1614 C LEU A 105 11.015 -15.852 7.154 1.00 20.01 C ATOM 1615 O LEU A 105 10.673 -16.867 7.771 1.00 13.21 O ATOM 1616 CB LEU A 105 9.486 -13.965 7.918 1.00 5.14 C ATOM 1617 CG LEU A 105 9.222 -12.813 8.943 1.00 31.00 C ATOM 1618 CD1 LEU A 105 7.748 -12.344 8.890 1.00 63.30 C ATOM 1619 CD2 LEU A 105 9.619 -13.254 10.378 1.00 50.10 C ATOM 0 H LEU A 105 11.302 -12.779 6.645 1.00 65.30 H new ATOM 0 HA LEU A 105 11.338 -14.629 8.863 1.00 53.53 H new ATOM 0 HB2 LEU A 105 9.196 -13.620 6.926 1.00 5.14 H new ATOM 0 HB3 LEU A 105 8.838 -14.806 8.166 1.00 5.14 H new ATOM 0 HG LEU A 105 9.847 -11.964 8.665 1.00 31.00 H new ATOM 0 HD11 LEU A 105 7.595 -11.543 9.613 1.00 63.30 H new ATOM 0 HD12 LEU A 105 7.518 -11.978 7.889 1.00 63.30 H new ATOM 0 HD13 LEU A 105 7.091 -13.180 9.130 1.00 63.30 H new ATOM 0 HD21 LEU A 105 9.428 -12.438 11.075 1.00 50.10 H new ATOM 0 HD22 LEU A 105 9.030 -14.124 10.667 1.00 50.10 H new ATOM 0 HD23 LEU A 105 10.678 -13.509 10.400 1.00 50.10 H new ATOM 1631 N LYS A 106 11.475 -15.892 5.884 1.00 54.14 N ATOM 1632 CA LYS A 106 11.390 -17.115 5.040 1.00 35.43 C ATOM 1633 C LYS A 106 12.249 -18.310 5.553 1.00 31.33 C ATOM 1634 O LYS A 106 11.956 -19.460 5.212 1.00 21.14 O ATOM 1635 CB LYS A 106 11.732 -16.800 3.556 1.00 42.10 C ATOM 1636 CG LYS A 106 10.721 -15.846 2.844 1.00 3.12 C ATOM 1637 CD LYS A 106 10.504 -16.191 1.341 1.00 2.21 C ATOM 1638 CE LYS A 106 11.794 -16.143 0.503 1.00 12.14 C ATOM 1639 NZ LYS A 106 12.331 -14.773 0.386 1.00 32.41 N ATOM 0 H LYS A 106 11.909 -15.096 5.417 1.00 54.14 H new ATOM 0 HA LYS A 106 10.351 -17.438 5.113 1.00 35.43 H new ATOM 0 HB2 LYS A 106 12.725 -16.353 3.513 1.00 42.10 H new ATOM 0 HB3 LYS A 106 11.780 -17.737 3.001 1.00 42.10 H new ATOM 0 HG2 LYS A 106 9.763 -15.891 3.362 1.00 3.12 H new ATOM 0 HG3 LYS A 106 11.080 -14.820 2.926 1.00 3.12 H new ATOM 0 HD2 LYS A 106 10.069 -17.187 1.265 1.00 2.21 H new ATOM 0 HD3 LYS A 106 9.780 -15.494 0.918 1.00 2.21 H new ATOM 0 HE2 LYS A 106 12.545 -16.788 0.958 1.00 12.14 H new ATOM 0 HE3 LYS A 106 11.594 -16.539 -0.492 1.00 12.14 H new ATOM 0 HZ1 LYS A 106 12.877 -14.688 -0.495 1.00 32.41 H new ATOM 0 HZ2 LYS A 106 11.545 -14.092 0.374 1.00 32.41 H new ATOM 0 HZ3 LYS A 106 12.950 -14.572 1.197 1.00 32.41 H new ATOM 1653 N GLU A 107 13.298 -18.047 6.361 1.00 65.52 N ATOM 1654 CA GLU A 107 14.141 -19.124 6.965 1.00 3.03 C ATOM 1655 C GLU A 107 13.885 -19.295 8.483 1.00 20.40 C ATOM 1656 O GLU A 107 14.471 -20.182 9.113 1.00 0.40 O ATOM 1657 CB GLU A 107 15.644 -18.862 6.691 1.00 32.42 C ATOM 1658 CG GLU A 107 16.021 -18.858 5.191 1.00 23.03 C ATOM 1659 CD GLU A 107 17.525 -18.653 4.954 1.00 35.11 C ATOM 1660 OE1 GLU A 107 17.982 -17.490 4.891 1.00 5.35 O ATOM 1661 OE2 GLU A 107 18.263 -19.654 4.844 1.00 65.21 O ATOM 0 H GLU A 107 13.588 -17.103 6.615 1.00 65.52 H new ATOM 0 HA GLU A 107 13.852 -20.059 6.486 1.00 3.03 H new ATOM 0 HB2 GLU A 107 15.920 -17.902 7.126 1.00 32.42 H new ATOM 0 HB3 GLU A 107 16.233 -19.624 7.201 1.00 32.42 H new ATOM 0 HG2 GLU A 107 15.713 -19.802 4.741 1.00 23.03 H new ATOM 0 HG3 GLU A 107 15.467 -18.068 4.684 1.00 23.03 H new ATOM 1668 N ILE A 108 12.996 -18.457 9.059 1.00 44.23 N ATOM 1669 CA ILE A 108 12.626 -18.532 10.501 1.00 21.30 C ATOM 1670 C ILE A 108 11.590 -19.670 10.758 1.00 42.32 C ATOM 1671 O ILE A 108 11.386 -20.079 11.906 1.00 24.54 O ATOM 1672 CB ILE A 108 12.100 -17.133 11.028 1.00 54.23 C ATOM 1673 CG1 ILE A 108 13.083 -15.983 10.617 1.00 61.33 C ATOM 1674 CG2 ILE A 108 11.902 -17.131 12.571 1.00 11.35 C ATOM 1675 CD1 ILE A 108 14.513 -16.130 11.131 1.00 22.24 C ATOM 0 H ILE A 108 12.516 -17.715 8.550 1.00 44.23 H new ATOM 0 HA ILE A 108 13.525 -18.777 11.066 1.00 21.30 H new ATOM 0 HB ILE A 108 11.129 -16.960 10.564 1.00 54.23 H new ATOM 0 HG12 ILE A 108 13.110 -15.923 9.529 1.00 61.33 H new ATOM 0 HG13 ILE A 108 12.680 -15.037 10.979 1.00 61.33 H new ATOM 0 HG21 ILE A 108 11.541 -16.153 12.890 1.00 11.35 H new ATOM 0 HG22 ILE A 108 11.174 -17.894 12.845 1.00 11.35 H new ATOM 0 HG23 ILE A 108 12.853 -17.344 13.060 1.00 11.35 H new ATOM 0 HD11 ILE A 108 15.110 -15.284 10.791 1.00 22.24 H new ATOM 0 HD12 ILE A 108 14.507 -16.156 12.221 1.00 22.24 H new ATOM 0 HD13 ILE A 108 14.944 -17.055 10.748 1.00 22.24 H new ATOM 1687 N ARG A 109 10.970 -20.181 9.656 1.00 52.10 N ATOM 1688 CA ARG A 109 10.055 -21.365 9.647 1.00 14.24 C ATOM 1689 C ARG A 109 8.667 -21.066 10.280 1.00 1.43 C ATOM 1690 O ARG A 109 7.641 -21.086 9.587 1.00 24.34 O ATOM 1691 CB ARG A 109 10.721 -22.613 10.292 1.00 52.34 C ATOM 1692 CG ARG A 109 11.976 -23.103 9.540 1.00 62.55 C ATOM 1693 CD ARG A 109 12.560 -24.379 10.148 1.00 15.51 C ATOM 1694 NE ARG A 109 13.065 -24.167 11.518 1.00 73.20 N ATOM 1695 CZ ARG A 109 13.763 -25.035 12.222 1.00 5.34 C ATOM 1696 NH1 ARG A 109 14.091 -26.199 11.746 1.00 22.05 N ATOM 1697 NH2 ARG A 109 14.141 -24.722 13.414 1.00 50.15 N ATOM 0 H ARG A 109 11.094 -19.774 8.729 1.00 52.10 H new ATOM 0 HA ARG A 109 9.869 -21.594 8.598 1.00 14.24 H new ATOM 0 HB2 ARG A 109 10.993 -22.378 11.321 1.00 52.34 H new ATOM 0 HB3 ARG A 109 9.993 -23.423 10.332 1.00 52.34 H new ATOM 0 HG2 ARG A 109 11.722 -23.285 8.496 1.00 62.55 H new ATOM 0 HG3 ARG A 109 12.733 -22.319 9.552 1.00 62.55 H new ATOM 0 HD2 ARG A 109 11.795 -25.155 10.161 1.00 15.51 H new ATOM 0 HD3 ARG A 109 13.371 -24.741 9.516 1.00 15.51 H new ATOM 0 HE ARG A 109 12.856 -23.271 11.958 1.00 73.20 H new ATOM 0 HH11 ARG A 109 13.807 -26.462 10.802 1.00 22.05 H new ATOM 0 HH12 ARG A 109 14.632 -26.849 12.316 1.00 22.05 H new ATOM 0 HH21 ARG A 109 13.899 -23.811 13.803 1.00 50.15 H new ATOM 0 HH22 ARG A 109 14.682 -25.386 13.968 1.00 50.15 H new ATOM 1711 N LYS A 110 8.645 -20.809 11.596 1.00 12.41 N ATOM 1712 CA LYS A 110 7.415 -20.462 12.342 1.00 53.33 C ATOM 1713 C LYS A 110 7.726 -19.351 13.375 1.00 55.14 C ATOM 1714 O LYS A 110 8.365 -19.599 14.406 1.00 5.13 O ATOM 1715 CB LYS A 110 6.839 -21.730 13.009 1.00 44.14 C ATOM 1716 CG LYS A 110 5.442 -21.538 13.657 1.00 44.41 C ATOM 1717 CD LYS A 110 4.674 -22.869 13.764 1.00 5.11 C ATOM 1718 CE LYS A 110 3.292 -22.728 14.422 1.00 34.45 C ATOM 1719 NZ LYS A 110 2.534 -24.006 14.384 1.00 31.23 N ATOM 0 H LYS A 110 9.481 -20.835 12.180 1.00 12.41 H new ATOM 0 HA LYS A 110 6.659 -20.074 11.659 1.00 53.33 H new ATOM 0 HB2 LYS A 110 6.773 -22.521 12.261 1.00 44.14 H new ATOM 0 HB3 LYS A 110 7.536 -22.072 13.774 1.00 44.14 H new ATOM 0 HG2 LYS A 110 5.558 -21.105 14.650 1.00 44.41 H new ATOM 0 HG3 LYS A 110 4.861 -20.830 13.066 1.00 44.41 H new ATOM 0 HD2 LYS A 110 4.551 -23.290 12.766 1.00 5.11 H new ATOM 0 HD3 LYS A 110 5.270 -23.578 14.338 1.00 5.11 H new ATOM 0 HE2 LYS A 110 3.412 -22.406 15.457 1.00 34.45 H new ATOM 0 HE3 LYS A 110 2.723 -21.952 13.911 1.00 34.45 H new ATOM 0 HZ1 LYS A 110 1.607 -23.873 14.837 1.00 31.23 H new ATOM 0 HZ2 LYS A 110 2.398 -24.300 13.396 1.00 31.23 H new ATOM 0 HZ3 LYS A 110 3.066 -24.740 14.893 1.00 31.23 H new ATOM 1733 N ALA A 111 7.287 -18.117 13.069 1.00 33.12 N ATOM 1734 CA ALA A 111 7.622 -16.904 13.851 1.00 22.35 C ATOM 1735 C ALA A 111 6.346 -16.152 14.288 1.00 71.31 C ATOM 1736 O ALA A 111 5.387 -16.033 13.511 1.00 33.12 O ATOM 1737 CB ALA A 111 8.537 -15.994 13.014 1.00 41.33 C ATOM 0 H ALA A 111 6.685 -17.928 12.267 1.00 33.12 H new ATOM 0 HA ALA A 111 8.148 -17.203 14.758 1.00 22.35 H new ATOM 0 HB1 ALA A 111 8.785 -15.101 13.587 1.00 41.33 H new ATOM 0 HB2 ALA A 111 9.452 -16.530 12.763 1.00 41.33 H new ATOM 0 HB3 ALA A 111 8.023 -15.706 12.097 1.00 41.33 H new ATOM 1743 N MET A 112 6.352 -15.637 15.538 1.00 23.12 N ATOM 1744 CA MET A 112 5.185 -14.938 16.141 1.00 71.35 C ATOM 1745 C MET A 112 5.586 -14.081 17.376 1.00 72.33 C ATOM 1746 O MET A 112 4.922 -13.083 17.680 1.00 12.44 O ATOM 1747 CB MET A 112 4.083 -15.973 16.522 1.00 21.34 C ATOM 1748 CG MET A 112 4.539 -17.086 17.485 1.00 55.21 C ATOM 1749 SD MET A 112 3.286 -18.373 17.707 1.00 73.43 S ATOM 1750 CE MET A 112 3.149 -19.042 16.044 1.00 61.41 C ATOM 0 H MET A 112 7.160 -15.692 16.158 1.00 23.12 H new ATOM 0 HA MET A 112 4.789 -14.250 15.394 1.00 71.35 H new ATOM 0 HB2 MET A 112 3.247 -15.441 16.976 1.00 21.34 H new ATOM 0 HB3 MET A 112 3.708 -16.435 15.609 1.00 21.34 H new ATOM 0 HG2 MET A 112 5.455 -17.538 17.104 1.00 55.21 H new ATOM 0 HG3 MET A 112 4.779 -16.647 18.453 1.00 55.21 H new ATOM 0 HE1 MET A 112 3.105 -20.130 16.092 1.00 61.41 H new ATOM 0 HE2 MET A 112 2.242 -18.663 15.573 1.00 61.41 H new ATOM 0 HE3 MET A 112 4.016 -18.739 15.457 1.00 61.41 H new ATOM 1760 N THR A 113 6.669 -14.480 18.080 1.00 74.24 N ATOM 1761 CA THR A 113 7.145 -13.782 19.303 1.00 25.12 C ATOM 1762 C THR A 113 7.946 -12.487 18.953 1.00 4.41 C ATOM 1763 O THR A 113 9.074 -12.591 18.419 1.00 38.27 O ATOM 1764 CB THR A 113 8.004 -14.742 20.213 1.00 74.40 C ATOM 1765 OG1 THR A 113 9.148 -15.249 19.504 1.00 62.23 O ATOM 1766 CG2 THR A 113 7.169 -15.931 20.721 1.00 31.02 C ATOM 1767 OXT THR A 113 7.447 -11.371 19.211 1.00 38.27 O ATOM 0 H THR A 113 7.236 -15.288 17.822 1.00 74.24 H new ATOM 0 HA THR A 113 6.261 -13.483 19.866 1.00 25.12 H new ATOM 0 HB THR A 113 8.339 -14.148 21.064 1.00 74.40 H new ATOM 0 HG1 THR A 113 9.531 -14.537 18.950 1.00 62.23 H new ATOM 0 HG21 THR A 113 7.791 -16.573 21.345 1.00 31.02 H new ATOM 0 HG22 THR A 113 6.328 -15.561 21.307 1.00 31.02 H new ATOM 0 HG23 THR A 113 6.796 -16.503 19.871 1.00 31.02 H new TER 1775 THR A 113