USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=33 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 69 ASN : amide:sc= 0.459 K(o=-0.91,f=-1.4) USER MOD Set 1.2: A 100 MET CE :methyl -114:sc= -1.37 (180deg=-2.65!) USER MOD Set 2.1: A 2 HIS : no HE2:sc= 0.0824 K(o=0.17,f=-0.85) USER MOD Set 2.2: A 43 GLN : amide:sc= 0.0864 K(o=0.17,f=-0.85) USER MOD Set 3.1: A 30 HIS : no HE2:sc= 0.241 K(o=0.36,f=-1.2) USER MOD Set 3.2: A 37 CYS SG : rot 50:sc= 0.12 USER MOD Set 4.1: A 21 THR OG1 : rot 68:sc= 1.8 USER MOD Set 4.2: A 41 SER OG : rot -170:sc= 0.718 USER MOD Set 5.1: A 16 CYS SG : rot 157:sc= 1.66 USER MOD Set 5.2: A 19 MET CE :methyl 151:sc= -2.03! (180deg=-2.81!) USER MOD Set 5.3: A 60 LYS NZ :NH3+ -178:sc= 1.38 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -140:sc= 0.0046 (180deg=0) USER MOD Single : A 1 SER OG : rot 40:sc= 0.35 USER MOD Single : A 3 MET CE :methyl -168:sc= -0.0163 (180deg=-0.23) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0296 K(o=-0.03,f=-1.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.45) USER MOD Single : A 26 THR OG1 : rot -160:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.0766 X(o=-0.077,f=-0.011) USER MOD Single : A 47 CYS SG : rot 80:sc= 0.115 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.272 F(o=-1.7,f=-0.27) USER MOD Single : A 55 THR OG1 : rot -32:sc= 1.05 USER MOD Single : A 57 MET CE :methyl 150:sc= -0.59 (180deg=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot -4:sc= -1.05 USER MOD Single : A 61 ASN :FLIP amide:sc= -0.0844 F(o=-2!,f=-0.084) USER MOD Single : A 65 SER OG : rot 81:sc= 1.06 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+ -179:sc= 0 (180deg=-0.00232) USER MOD Single : A 75 ASN : amide:sc= -0.406 K(o=-0.41,f=-2.2!) USER MOD Single : A 81 ASN : amide:sc=-0.00316 X(o=-0.0032,f=-0.44) USER MOD Single : A 84 CYS SG : rot -31:sc= 0.123 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0694 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.0266 F(o=-1.1,f=-0.027) USER MOD Single : A 91 GLN : amide:sc= -0.621 K(o=-0.62,f=-3.6!) USER MOD Single : A 95 MET CE :methyl -112:sc= -0.989 (180deg=-1.61) USER MOD Single : A 96 THR OG1 : rot 94:sc= 0.053 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -61:sc= 0.866 USER MOD Single : A 106 LYS NZ :NH3+ 166:sc= 0.842 (180deg=0.662) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 42:sc= 0.292 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.936 -0.017 16.711 1.00 4.34 N ATOM 2 CA SER A 1 -11.867 0.168 15.565 1.00 64.44 C ATOM 3 C SER A 1 -11.416 1.350 14.667 1.00 22.22 C ATOM 4 O SER A 1 -11.662 2.516 14.992 1.00 23.14 O ATOM 5 CB SER A 1 -13.312 0.377 16.087 1.00 54.34 C ATOM 6 OG SER A 1 -13.384 1.464 17.003 1.00 21.11 O ATOM 0 H1 SER A 1 -10.786 -1.033 16.876 1.00 4.34 H new ATOM 0 H2 SER A 1 -10.026 0.437 16.496 1.00 4.34 H new ATOM 0 H3 SER A 1 -11.345 0.415 17.564 1.00 4.34 H new ATOM 0 HA SER A 1 -11.849 -0.732 14.950 1.00 64.44 H new ATOM 0 HB2 SER A 1 -13.980 0.564 15.246 1.00 54.34 H new ATOM 0 HB3 SER A 1 -13.659 -0.534 16.574 1.00 54.34 H new ATOM 0 HG SER A 1 -12.813 2.196 16.688 1.00 21.11 H new ATOM 14 N HIS A 2 -10.716 1.037 13.555 1.00 42.52 N ATOM 15 CA HIS A 2 -10.276 2.044 12.557 1.00 24.32 C ATOM 16 C HIS A 2 -11.486 2.581 11.748 1.00 23.03 C ATOM 17 O HIS A 2 -11.985 1.906 10.835 1.00 35.04 O ATOM 18 CB HIS A 2 -9.212 1.438 11.592 1.00 5.34 C ATOM 19 CG HIS A 2 -7.874 1.108 12.220 1.00 35.33 C ATOM 20 ND1 HIS A 2 -6.666 1.437 11.632 1.00 55.34 N ATOM 21 CD2 HIS A 2 -7.553 0.459 13.365 1.00 41.41 C ATOM 22 CE1 HIS A 2 -5.677 1.008 12.387 1.00 74.43 C ATOM 23 NE2 HIS A 2 -6.188 0.414 13.439 1.00 72.21 N ATOM 0 H HIS A 2 -10.439 0.083 13.322 1.00 42.52 H new ATOM 0 HA HIS A 2 -9.822 2.875 13.097 1.00 24.32 H new ATOM 0 HB2 HIS A 2 -9.622 0.528 11.153 1.00 5.34 H new ATOM 0 HB3 HIS A 2 -9.047 2.140 10.775 1.00 5.34 H new ATOM 0 HD1 HIS A 2 -6.558 1.936 10.749 1.00 55.34 H new ATOM 0 HD2 HIS A 2 -8.247 0.052 14.086 1.00 41.41 H new ATOM 0 HE1 HIS A 2 -4.624 1.125 12.176 1.00 74.43 H new ATOM 32 N MET A 3 -11.971 3.781 12.116 1.00 2.44 N ATOM 33 CA MET A 3 -13.101 4.447 11.426 1.00 45.24 C ATOM 34 C MET A 3 -12.674 4.946 10.010 1.00 63.24 C ATOM 35 O MET A 3 -11.534 5.406 9.838 1.00 52.32 O ATOM 36 CB MET A 3 -13.666 5.628 12.284 1.00 63.53 C ATOM 37 CG MET A 3 -12.706 6.818 12.515 1.00 3.32 C ATOM 38 SD MET A 3 -11.222 6.393 13.461 1.00 72.42 S ATOM 39 CE MET A 3 -11.908 5.942 15.058 1.00 52.31 C ATOM 0 H MET A 3 -11.595 4.318 12.897 1.00 2.44 H new ATOM 0 HA MET A 3 -13.896 3.712 11.301 1.00 45.24 H new ATOM 0 HB2 MET A 3 -14.568 6.003 11.800 1.00 63.53 H new ATOM 0 HB3 MET A 3 -13.965 5.234 13.255 1.00 63.53 H new ATOM 0 HG2 MET A 3 -12.405 7.222 11.548 1.00 3.32 H new ATOM 0 HG3 MET A 3 -13.244 7.609 13.038 1.00 3.32 H new ATOM 0 HE1 MET A 3 -11.105 5.867 15.791 1.00 52.31 H new ATOM 0 HE2 MET A 3 -12.620 6.704 15.377 1.00 52.31 H new ATOM 0 HE3 MET A 3 -12.417 4.981 14.977 1.00 52.31 H new ATOM 49 N PRO A 4 -13.557 4.816 8.965 1.00 23.41 N ATOM 50 CA PRO A 4 -13.273 5.346 7.601 1.00 52.55 C ATOM 51 C PRO A 4 -13.178 6.901 7.580 1.00 53.14 C ATOM 52 O PRO A 4 -14.195 7.603 7.466 1.00 34.25 O ATOM 53 CB PRO A 4 -14.464 4.818 6.738 1.00 54.22 C ATOM 54 CG PRO A 4 -15.072 3.712 7.557 1.00 12.34 C ATOM 55 CD PRO A 4 -14.870 4.122 8.999 1.00 42.42 C ATOM 0 HA PRO A 4 -12.306 5.016 7.222 1.00 52.55 H new ATOM 0 HB2 PRO A 4 -15.189 5.607 6.539 1.00 54.22 H new ATOM 0 HB3 PRO A 4 -14.120 4.451 5.771 1.00 54.22 H new ATOM 0 HG2 PRO A 4 -16.131 3.590 7.328 1.00 12.34 H new ATOM 0 HG3 PRO A 4 -14.589 2.758 7.349 1.00 12.34 H new ATOM 0 HD2 PRO A 4 -15.666 4.780 9.347 1.00 42.42 H new ATOM 0 HD3 PRO A 4 -14.854 3.260 9.666 1.00 42.42 H new ATOM 63 N VAL A 5 -11.950 7.418 7.755 1.00 3.44 N ATOM 64 CA VAL A 5 -11.663 8.870 7.723 1.00 31.12 C ATOM 65 C VAL A 5 -11.568 9.388 6.251 1.00 53.53 C ATOM 66 O VAL A 5 -10.894 8.759 5.417 1.00 2.12 O ATOM 67 CB VAL A 5 -10.338 9.201 8.533 1.00 20.13 C ATOM 68 CG1 VAL A 5 -9.109 8.405 8.010 1.00 54.13 C ATOM 69 CG2 VAL A 5 -10.052 10.727 8.553 1.00 21.01 C ATOM 0 H VAL A 5 -11.124 6.843 7.923 1.00 3.44 H new ATOM 0 HA VAL A 5 -12.490 9.390 8.206 1.00 31.12 H new ATOM 0 HB VAL A 5 -10.511 8.878 9.560 1.00 20.13 H new ATOM 0 HG11 VAL A 5 -8.229 8.667 8.597 1.00 54.13 H new ATOM 0 HG12 VAL A 5 -9.302 7.336 8.103 1.00 54.13 H new ATOM 0 HG13 VAL A 5 -8.934 8.653 6.963 1.00 54.13 H new ATOM 0 HG21 VAL A 5 -9.138 10.919 9.116 1.00 21.01 H new ATOM 0 HG22 VAL A 5 -9.932 11.088 7.532 1.00 21.01 H new ATOM 0 HG23 VAL A 5 -10.885 11.247 9.026 1.00 21.01 H new ATOM 79 N PRO A 6 -12.286 10.511 5.881 1.00 44.14 N ATOM 80 CA PRO A 6 -12.142 11.151 4.546 1.00 52.55 C ATOM 81 C PRO A 6 -10.735 11.771 4.354 1.00 12.31 C ATOM 82 O PRO A 6 -10.111 12.253 5.307 1.00 55.44 O ATOM 83 CB PRO A 6 -13.257 12.230 4.532 1.00 35.14 C ATOM 84 CG PRO A 6 -13.495 12.539 5.977 1.00 34.41 C ATOM 85 CD PRO A 6 -13.302 11.221 6.704 1.00 30.00 C ATOM 0 HA PRO A 6 -12.241 10.438 3.727 1.00 52.55 H new ATOM 0 HB2 PRO A 6 -12.944 13.118 3.982 1.00 35.14 H new ATOM 0 HB3 PRO A 6 -14.162 11.860 4.051 1.00 35.14 H new ATOM 0 HG2 PRO A 6 -12.796 13.294 6.338 1.00 34.41 H new ATOM 0 HG3 PRO A 6 -14.499 12.932 6.135 1.00 34.41 H new ATOM 0 HD2 PRO A 6 -12.954 11.374 7.726 1.00 30.00 H new ATOM 0 HD3 PRO A 6 -14.233 10.657 6.765 1.00 30.00 H new ATOM 93 N VAL A 7 -10.260 11.752 3.104 1.00 31.21 N ATOM 94 CA VAL A 7 -8.858 12.058 2.750 1.00 3.34 C ATOM 95 C VAL A 7 -8.784 12.955 1.477 1.00 52.41 C ATOM 96 O VAL A 7 -8.837 12.478 0.336 1.00 41.50 O ATOM 97 CB VAL A 7 -8.050 10.703 2.562 1.00 73.31 C ATOM 98 CG1 VAL A 7 -7.662 10.067 3.926 1.00 13.22 C ATOM 99 CG2 VAL A 7 -8.863 9.694 1.716 1.00 12.25 C ATOM 0 H VAL A 7 -10.839 11.522 2.297 1.00 31.21 H new ATOM 0 HA VAL A 7 -8.400 12.623 3.561 1.00 3.34 H new ATOM 0 HB VAL A 7 -7.128 10.948 2.034 1.00 73.31 H new ATOM 0 HG11 VAL A 7 -7.111 9.143 3.753 1.00 13.22 H new ATOM 0 HG12 VAL A 7 -7.037 10.762 4.487 1.00 13.22 H new ATOM 0 HG13 VAL A 7 -8.565 9.850 4.496 1.00 13.22 H new ATOM 0 HG21 VAL A 7 -8.291 8.773 1.599 1.00 12.25 H new ATOM 0 HG22 VAL A 7 -9.806 9.475 2.218 1.00 12.25 H new ATOM 0 HG23 VAL A 7 -9.065 10.122 0.734 1.00 12.25 H new ATOM 109 N THR A 8 -8.706 14.286 1.693 1.00 64.31 N ATOM 110 CA THR A 8 -8.641 15.284 0.597 1.00 1.34 C ATOM 111 C THR A 8 -7.723 16.467 0.985 1.00 70.30 C ATOM 112 O THR A 8 -8.114 17.342 1.766 1.00 55.15 O ATOM 113 CB THR A 8 -10.070 15.822 0.204 1.00 3.22 C ATOM 114 OG1 THR A 8 -10.920 14.734 -0.212 1.00 53.43 O ATOM 115 CG2 THR A 8 -10.002 16.857 -0.937 1.00 74.13 C ATOM 0 H THR A 8 -8.686 14.700 2.625 1.00 64.31 H new ATOM 0 HA THR A 8 -8.222 14.776 -0.272 1.00 1.34 H new ATOM 0 HB THR A 8 -10.481 16.305 1.091 1.00 3.22 H new ATOM 0 HG1 THR A 8 -11.804 15.083 -0.451 1.00 53.43 H new ATOM 0 HG21 THR A 8 -11.008 17.201 -1.176 1.00 74.13 H new ATOM 0 HG22 THR A 8 -9.393 17.705 -0.623 1.00 74.13 H new ATOM 0 HG23 THR A 8 -9.557 16.397 -1.819 1.00 74.13 H new ATOM 123 N CYS A 9 -6.479 16.442 0.482 1.00 32.43 N ATOM 124 CA CYS A 9 -5.557 17.605 0.540 1.00 14.45 C ATOM 125 C CYS A 9 -5.804 18.512 -0.677 1.00 3.32 C ATOM 126 O CYS A 9 -5.839 19.744 -0.578 1.00 61.42 O ATOM 127 CB CYS A 9 -4.088 17.125 0.532 1.00 74.02 C ATOM 128 SG CYS A 9 -2.877 18.450 0.731 1.00 23.15 S ATOM 0 H CYS A 9 -6.078 15.623 0.024 1.00 32.43 H new ATOM 0 HA CYS A 9 -5.743 18.160 1.460 1.00 14.45 H new ATOM 0 HB2 CYS A 9 -3.950 16.398 1.333 1.00 74.02 H new ATOM 0 HB3 CYS A 9 -3.892 16.606 -0.406 1.00 74.02 H new ATOM 0 HG CYS A 9 -1.678 17.948 0.713 1.00 23.15 H new ATOM 134 N ASP A 10 -5.980 17.834 -1.821 1.00 60.52 N ATOM 135 CA ASP A 10 -6.226 18.438 -3.138 1.00 74.50 C ATOM 136 C ASP A 10 -6.677 17.322 -4.119 1.00 4.34 C ATOM 137 O ASP A 10 -6.693 16.134 -3.748 1.00 50.30 O ATOM 138 CB ASP A 10 -4.929 19.155 -3.637 1.00 63.43 C ATOM 139 CG ASP A 10 -5.117 19.931 -4.953 1.00 11.50 C ATOM 140 OD1 ASP A 10 -5.833 20.948 -4.955 1.00 10.13 O ATOM 141 OD2 ASP A 10 -4.580 19.512 -5.994 1.00 65.44 O ATOM 0 H ASP A 10 -5.954 16.815 -1.855 1.00 60.52 H new ATOM 0 HA ASP A 10 -7.015 19.188 -3.077 1.00 74.50 H new ATOM 0 HB2 ASP A 10 -4.586 19.844 -2.865 1.00 63.43 H new ATOM 0 HB3 ASP A 10 -4.143 18.412 -3.773 1.00 63.43 H new ATOM 146 N ALA A 11 -7.059 17.705 -5.356 1.00 31.01 N ATOM 147 CA ALA A 11 -7.342 16.754 -6.456 1.00 11.24 C ATOM 148 C ALA A 11 -6.145 15.798 -6.728 1.00 13.44 C ATOM 149 O ALA A 11 -6.348 14.663 -7.159 1.00 1.13 O ATOM 150 CB ALA A 11 -7.722 17.531 -7.727 1.00 23.54 C ATOM 0 H ALA A 11 -7.180 18.682 -5.622 1.00 31.01 H new ATOM 0 HA ALA A 11 -8.180 16.128 -6.152 1.00 11.24 H new ATOM 0 HB1 ALA A 11 -7.930 16.829 -8.534 1.00 23.54 H new ATOM 0 HB2 ALA A 11 -8.609 18.134 -7.533 1.00 23.54 H new ATOM 0 HB3 ALA A 11 -6.897 18.182 -8.016 1.00 23.54 H new ATOM 156 N VAL A 12 -4.904 16.282 -6.464 1.00 42.32 N ATOM 157 CA VAL A 12 -3.673 15.449 -6.528 1.00 73.40 C ATOM 158 C VAL A 12 -3.748 14.237 -5.553 1.00 53.12 C ATOM 159 O VAL A 12 -3.535 13.094 -5.970 1.00 75.14 O ATOM 160 CB VAL A 12 -2.376 16.299 -6.208 1.00 14.00 C ATOM 161 CG1 VAL A 12 -1.087 15.436 -6.259 1.00 33.21 C ATOM 162 CG2 VAL A 12 -2.250 17.511 -7.156 1.00 75.23 C ATOM 0 H VAL A 12 -4.728 17.252 -6.203 1.00 42.32 H new ATOM 0 HA VAL A 12 -3.607 15.075 -7.550 1.00 73.40 H new ATOM 0 HB VAL A 12 -2.488 16.669 -5.189 1.00 14.00 H new ATOM 0 HG11 VAL A 12 -0.222 16.060 -6.033 1.00 33.21 H new ATOM 0 HG12 VAL A 12 -1.157 14.634 -5.525 1.00 33.21 H new ATOM 0 HG13 VAL A 12 -0.975 15.008 -7.255 1.00 33.21 H new ATOM 0 HG21 VAL A 12 -1.349 18.073 -6.910 1.00 75.23 H new ATOM 0 HG22 VAL A 12 -2.189 17.162 -8.187 1.00 75.23 H new ATOM 0 HG23 VAL A 12 -3.122 18.155 -7.042 1.00 75.23 H new ATOM 172 N ARG A 13 -4.060 14.506 -4.257 1.00 33.22 N ATOM 173 CA ARG A 13 -4.121 13.447 -3.215 1.00 2.03 C ATOM 174 C ARG A 13 -5.226 12.408 -3.520 1.00 21.43 C ATOM 175 O ARG A 13 -4.990 11.203 -3.449 1.00 1.43 O ATOM 176 CB ARG A 13 -4.329 14.031 -1.779 1.00 52.34 C ATOM 177 CG ARG A 13 -4.419 12.918 -0.704 1.00 63.33 C ATOM 178 CD ARG A 13 -4.683 13.377 0.736 1.00 64.43 C ATOM 179 NE ARG A 13 -4.849 12.193 1.595 1.00 51.11 N ATOM 180 CZ ARG A 13 -4.473 12.051 2.845 1.00 15.14 C ATOM 181 NH1 ARG A 13 -4.091 13.043 3.571 1.00 1.20 N ATOM 182 NH2 ARG A 13 -4.544 10.881 3.374 1.00 12.41 N ATOM 0 H ARG A 13 -4.272 15.442 -3.911 1.00 33.22 H new ATOM 0 HA ARG A 13 -3.152 12.949 -3.239 1.00 2.03 H new ATOM 0 HB2 ARG A 13 -3.504 14.701 -1.538 1.00 52.34 H new ATOM 0 HB3 ARG A 13 -5.241 14.628 -1.759 1.00 52.34 H new ATOM 0 HG2 ARG A 13 -5.212 12.228 -0.993 1.00 63.33 H new ATOM 0 HG3 ARG A 13 -3.486 12.355 -0.717 1.00 63.33 H new ATOM 0 HD2 ARG A 13 -3.855 13.988 1.094 1.00 64.43 H new ATOM 0 HD3 ARG A 13 -5.578 13.998 0.775 1.00 64.43 H new ATOM 0 HE ARG A 13 -5.310 11.389 1.169 1.00 51.11 H new ATOM 0 HH11 ARG A 13 -4.072 13.984 3.179 1.00 1.20 H new ATOM 0 HH12 ARG A 13 -3.807 12.888 4.538 1.00 1.20 H new ATOM 0 HH21 ARG A 13 -4.886 10.093 2.824 1.00 12.41 H new ATOM 0 HH22 ARG A 13 -4.259 10.741 4.343 1.00 12.41 H new ATOM 196 N ASN A 14 -6.427 12.905 -3.867 1.00 21.51 N ATOM 197 CA ASN A 14 -7.604 12.057 -4.188 1.00 64.22 C ATOM 198 C ASN A 14 -7.277 11.090 -5.356 1.00 3.31 C ATOM 199 O ASN A 14 -7.511 9.885 -5.261 1.00 3.22 O ATOM 200 CB ASN A 14 -8.809 12.980 -4.538 1.00 41.13 C ATOM 201 CG ASN A 14 -10.176 12.272 -4.612 1.00 4.31 C ATOM 202 OD1 ASN A 14 -10.292 11.092 -4.929 1.00 44.15 O ATOM 203 ND2 ASN A 14 -11.236 13.007 -4.330 1.00 50.11 N ATOM 0 H ASN A 14 -6.615 13.905 -3.935 1.00 21.51 H new ATOM 0 HA ASN A 14 -7.864 11.445 -3.324 1.00 64.22 H new ATOM 0 HB2 ASN A 14 -8.868 13.773 -3.792 1.00 41.13 H new ATOM 0 HB3 ASN A 14 -8.613 13.459 -5.497 1.00 41.13 H new ATOM 0 HD21 ASN A 14 -12.168 12.596 -4.374 1.00 50.11 H new ATOM 0 HD22 ASN A 14 -11.123 13.986 -4.068 1.00 50.11 H new ATOM 210 N LYS A 15 -6.687 11.650 -6.428 1.00 61.24 N ATOM 211 CA LYS A 15 -6.266 10.898 -7.635 1.00 41.12 C ATOM 212 C LYS A 15 -5.202 9.816 -7.305 1.00 42.23 C ATOM 213 O LYS A 15 -5.251 8.697 -7.834 1.00 73.22 O ATOM 214 CB LYS A 15 -5.729 11.909 -8.673 1.00 52.02 C ATOM 215 CG LYS A 15 -5.349 11.325 -10.055 1.00 22.25 C ATOM 216 CD LYS A 15 -5.037 12.453 -11.065 1.00 13.11 C ATOM 217 CE LYS A 15 -4.633 11.949 -12.461 1.00 53.33 C ATOM 218 NZ LYS A 15 -4.286 13.074 -13.372 1.00 4.32 N ATOM 0 H LYS A 15 -6.485 12.648 -6.486 1.00 61.24 H new ATOM 0 HA LYS A 15 -7.125 10.365 -8.042 1.00 41.12 H new ATOM 0 HB2 LYS A 15 -6.483 12.682 -8.822 1.00 52.02 H new ATOM 0 HB3 LYS A 15 -4.850 12.398 -8.253 1.00 52.02 H new ATOM 0 HG2 LYS A 15 -4.481 10.673 -9.952 1.00 22.25 H new ATOM 0 HG3 LYS A 15 -6.167 10.710 -10.432 1.00 22.25 H new ATOM 0 HD2 LYS A 15 -5.914 13.093 -11.161 1.00 13.11 H new ATOM 0 HD3 LYS A 15 -4.233 13.071 -10.666 1.00 13.11 H new ATOM 0 HE2 LYS A 15 -3.780 11.276 -12.372 1.00 53.33 H new ATOM 0 HE3 LYS A 15 -5.452 11.372 -12.891 1.00 53.33 H new ATOM 0 HZ1 LYS A 15 -4.019 12.697 -14.304 1.00 4.32 H new ATOM 0 HZ2 LYS A 15 -5.108 13.703 -13.476 1.00 4.32 H new ATOM 0 HZ3 LYS A 15 -3.489 13.610 -12.974 1.00 4.32 H new ATOM 232 N CYS A 16 -4.254 10.164 -6.411 1.00 61.12 N ATOM 233 CA CYS A 16 -3.179 9.241 -5.972 1.00 1.12 C ATOM 234 C CYS A 16 -3.712 8.117 -5.060 1.00 33.23 C ATOM 235 O CYS A 16 -3.177 7.003 -5.081 1.00 64.22 O ATOM 236 CB CYS A 16 -2.040 10.012 -5.276 1.00 40.01 C ATOM 237 SG CYS A 16 -1.151 11.156 -6.369 1.00 3.41 S ATOM 0 H CYS A 16 -4.209 11.085 -5.974 1.00 61.12 H new ATOM 0 HA CYS A 16 -2.781 8.768 -6.870 1.00 1.12 H new ATOM 0 HB2 CYS A 16 -2.453 10.573 -4.438 1.00 40.01 H new ATOM 0 HB3 CYS A 16 -1.330 9.296 -4.861 1.00 40.01 H new ATOM 0 HG CYS A 16 -0.586 12.086 -5.657 1.00 3.41 H new ATOM 243 N ARG A 17 -4.767 8.411 -4.268 1.00 21.24 N ATOM 244 CA ARG A 17 -5.422 7.399 -3.409 1.00 73.14 C ATOM 245 C ARG A 17 -6.141 6.351 -4.269 1.00 40.41 C ATOM 246 O ARG A 17 -6.176 5.178 -3.921 1.00 50.35 O ATOM 247 CB ARG A 17 -6.456 8.016 -2.427 1.00 62.14 C ATOM 248 CG ARG A 17 -6.863 7.047 -1.272 1.00 55.42 C ATOM 249 CD ARG A 17 -8.312 7.220 -0.791 1.00 33.51 C ATOM 250 NE ARG A 17 -9.289 6.721 -1.780 1.00 53.30 N ATOM 251 CZ ARG A 17 -10.428 6.127 -1.489 1.00 52.31 C ATOM 252 NH1 ARG A 17 -10.791 5.944 -0.260 1.00 44.14 N ATOM 253 NH2 ARG A 17 -11.190 5.717 -2.440 1.00 74.04 N ATOM 0 H ARG A 17 -5.183 9.340 -4.206 1.00 21.24 H new ATOM 0 HA ARG A 17 -4.625 6.941 -2.823 1.00 73.14 H new ATOM 0 HB2 ARG A 17 -6.040 8.928 -1.998 1.00 62.14 H new ATOM 0 HB3 ARG A 17 -7.349 8.303 -2.983 1.00 62.14 H new ATOM 0 HG2 ARG A 17 -6.723 6.019 -1.608 1.00 55.42 H new ATOM 0 HG3 ARG A 17 -6.190 7.201 -0.428 1.00 55.42 H new ATOM 0 HD2 ARG A 17 -8.447 6.688 0.151 1.00 33.51 H new ATOM 0 HD3 ARG A 17 -8.504 8.274 -0.592 1.00 33.51 H new ATOM 0 HE ARG A 17 -9.064 6.846 -2.767 1.00 53.30 H new ATOM 0 HH11 ARG A 17 -10.191 6.262 0.502 1.00 44.14 H new ATOM 0 HH12 ARG A 17 -11.677 5.482 -0.053 1.00 44.14 H new ATOM 0 HH21 ARG A 17 -10.911 5.853 -3.412 1.00 74.04 H new ATOM 0 HH22 ARG A 17 -12.074 5.256 -2.223 1.00 74.04 H new ATOM 267 N GLU A 18 -6.741 6.808 -5.381 1.00 10.10 N ATOM 268 CA GLU A 18 -7.392 5.914 -6.363 1.00 51.41 C ATOM 269 C GLU A 18 -6.371 4.945 -7.006 1.00 20.41 C ATOM 270 O GLU A 18 -6.711 3.804 -7.319 1.00 72.13 O ATOM 271 CB GLU A 18 -8.132 6.739 -7.451 1.00 2.51 C ATOM 272 CG GLU A 18 -9.196 7.719 -6.904 1.00 55.44 C ATOM 273 CD GLU A 18 -10.239 7.052 -5.982 1.00 5.54 C ATOM 274 OE1 GLU A 18 -11.182 6.418 -6.500 1.00 41.11 O ATOM 275 OE2 GLU A 18 -10.114 7.146 -4.738 1.00 40.11 O ATOM 0 H GLU A 18 -6.790 7.797 -5.626 1.00 10.10 H new ATOM 0 HA GLU A 18 -8.128 5.313 -5.829 1.00 51.41 H new ATOM 0 HB2 GLU A 18 -7.396 7.305 -8.023 1.00 2.51 H new ATOM 0 HB3 GLU A 18 -8.614 6.050 -8.145 1.00 2.51 H new ATOM 0 HG2 GLU A 18 -8.695 8.516 -6.354 1.00 55.44 H new ATOM 0 HG3 GLU A 18 -9.712 8.186 -7.743 1.00 55.44 H new ATOM 282 N MET A 19 -5.119 5.419 -7.186 1.00 31.42 N ATOM 283 CA MET A 19 -3.996 4.579 -7.679 1.00 13.24 C ATOM 284 C MET A 19 -3.463 3.608 -6.576 1.00 44.24 C ATOM 285 O MET A 19 -3.046 2.485 -6.882 1.00 51.31 O ATOM 286 CB MET A 19 -2.851 5.471 -8.230 1.00 32.12 C ATOM 287 CG MET A 19 -3.267 6.435 -9.358 1.00 54.44 C ATOM 288 SD MET A 19 -1.864 7.276 -10.144 1.00 61.01 S ATOM 289 CE MET A 19 -1.045 8.056 -8.753 1.00 53.01 C ATOM 0 H MET A 19 -4.855 6.386 -6.997 1.00 31.42 H new ATOM 0 HA MET A 19 -4.380 3.962 -8.491 1.00 13.24 H new ATOM 0 HB2 MET A 19 -2.436 6.054 -7.408 1.00 32.12 H new ATOM 0 HB3 MET A 19 -2.053 4.827 -8.598 1.00 32.12 H new ATOM 0 HG2 MET A 19 -3.818 5.879 -10.116 1.00 54.44 H new ATOM 0 HG3 MET A 19 -3.949 7.183 -8.953 1.00 54.44 H new ATOM 0 HE1 MET A 19 0.021 8.146 -8.962 1.00 53.01 H new ATOM 0 HE2 MET A 19 -1.468 9.047 -8.591 1.00 53.01 H new ATOM 0 HE3 MET A 19 -1.189 7.449 -7.859 1.00 53.01 H new ATOM 299 N LEU A 20 -3.474 4.066 -5.302 1.00 45.44 N ATOM 300 CA LEU A 20 -3.126 3.224 -4.115 1.00 32.11 C ATOM 301 C LEU A 20 -4.153 2.079 -3.920 1.00 30.42 C ATOM 302 O LEU A 20 -3.788 0.941 -3.605 1.00 24.23 O ATOM 303 CB LEU A 20 -3.058 4.108 -2.832 1.00 42.33 C ATOM 304 CG LEU A 20 -1.835 5.083 -2.720 1.00 0.52 C ATOM 305 CD1 LEU A 20 -2.035 6.121 -1.586 1.00 22.11 C ATOM 306 CD2 LEU A 20 -0.511 4.298 -2.524 1.00 24.25 C ATOM 0 H LEU A 20 -3.722 5.025 -5.060 1.00 45.44 H new ATOM 0 HA LEU A 20 -2.149 2.775 -4.293 1.00 32.11 H new ATOM 0 HB2 LEU A 20 -3.972 4.699 -2.776 1.00 42.33 H new ATOM 0 HB3 LEU A 20 -3.050 3.449 -1.964 1.00 42.33 H new ATOM 0 HG LEU A 20 -1.768 5.631 -3.660 1.00 0.52 H new ATOM 0 HD11 LEU A 20 -1.168 6.779 -1.538 1.00 22.11 H new ATOM 0 HD12 LEU A 20 -2.929 6.712 -1.787 1.00 22.11 H new ATOM 0 HD13 LEU A 20 -2.150 5.602 -0.634 1.00 22.11 H new ATOM 0 HD21 LEU A 20 0.320 4.999 -2.449 1.00 24.25 H new ATOM 0 HD22 LEU A 20 -0.570 3.707 -1.610 1.00 24.25 H new ATOM 0 HD23 LEU A 20 -0.351 3.635 -3.375 1.00 24.25 H new ATOM 318 N THR A 21 -5.441 2.415 -4.115 1.00 10.33 N ATOM 319 CA THR A 21 -6.557 1.444 -4.088 1.00 12.32 C ATOM 320 C THR A 21 -6.428 0.468 -5.272 1.00 22.31 C ATOM 321 O THR A 21 -6.626 -0.735 -5.119 1.00 0.22 O ATOM 322 CB THR A 21 -7.960 2.152 -4.183 1.00 21.22 C ATOM 323 OG1 THR A 21 -8.046 3.233 -3.246 1.00 24.02 O ATOM 324 CG2 THR A 21 -9.117 1.169 -3.911 1.00 11.12 C ATOM 0 H THR A 21 -5.742 3.373 -4.297 1.00 10.33 H new ATOM 0 HA THR A 21 -6.497 0.914 -3.137 1.00 12.32 H new ATOM 0 HB THR A 21 -8.053 2.532 -5.200 1.00 21.22 H new ATOM 0 HG1 THR A 21 -7.433 3.949 -3.515 1.00 24.02 H new ATOM 0 HG21 THR A 21 -10.068 1.697 -3.986 1.00 11.12 H new ATOM 0 HG22 THR A 21 -9.090 0.363 -4.645 1.00 11.12 H new ATOM 0 HG23 THR A 21 -9.012 0.751 -2.910 1.00 11.12 H new ATOM 332 N ALA A 22 -6.073 1.034 -6.446 1.00 62.11 N ATOM 333 CA ALA A 22 -5.847 0.283 -7.699 1.00 24.50 C ATOM 334 C ALA A 22 -4.706 -0.747 -7.575 1.00 12.44 C ATOM 335 O ALA A 22 -4.700 -1.743 -8.280 1.00 65.10 O ATOM 336 CB ALA A 22 -5.578 1.241 -8.860 1.00 0.11 C ATOM 0 H ALA A 22 -5.934 2.039 -6.551 1.00 62.11 H new ATOM 0 HA ALA A 22 -6.761 -0.276 -7.901 1.00 24.50 H new ATOM 0 HB1 ALA A 22 -5.414 0.669 -9.773 1.00 0.11 H new ATOM 0 HB2 ALA A 22 -6.436 1.900 -8.994 1.00 0.11 H new ATOM 0 HB3 ALA A 22 -4.692 1.838 -8.642 1.00 0.11 H new ATOM 342 N ALA A 23 -3.726 -0.464 -6.704 1.00 11.20 N ATOM 343 CA ALA A 23 -2.634 -1.409 -6.375 1.00 64.12 C ATOM 344 C ALA A 23 -3.152 -2.637 -5.567 1.00 61.40 C ATOM 345 O ALA A 23 -2.592 -3.735 -5.653 1.00 4.14 O ATOM 346 CB ALA A 23 -1.548 -0.668 -5.595 1.00 25.43 C ATOM 0 H ALA A 23 -3.663 0.424 -6.205 1.00 11.20 H new ATOM 0 HA ALA A 23 -2.219 -1.796 -7.306 1.00 64.12 H new ATOM 0 HB1 ALA A 23 -0.741 -1.358 -5.350 1.00 25.43 H new ATOM 0 HB2 ALA A 23 -1.156 0.147 -6.203 1.00 25.43 H new ATOM 0 HB3 ALA A 23 -1.972 -0.264 -4.676 1.00 25.43 H new ATOM 352 N LEU A 24 -4.212 -2.417 -4.768 1.00 64.21 N ATOM 353 CA LEU A 24 -4.864 -3.471 -3.943 1.00 60.13 C ATOM 354 C LEU A 24 -5.960 -4.256 -4.737 1.00 62.34 C ATOM 355 O LEU A 24 -6.275 -5.414 -4.423 1.00 12.31 O ATOM 356 CB LEU A 24 -5.464 -2.814 -2.670 1.00 63.14 C ATOM 357 CG LEU A 24 -4.475 -1.958 -1.799 1.00 24.42 C ATOM 358 CD1 LEU A 24 -5.193 -1.330 -0.579 1.00 43.25 C ATOM 359 CD2 LEU A 24 -3.239 -2.788 -1.358 1.00 52.32 C ATOM 0 H LEU A 24 -4.649 -1.500 -4.670 1.00 64.21 H new ATOM 0 HA LEU A 24 -4.108 -4.204 -3.661 1.00 60.13 H new ATOM 0 HB2 LEU A 24 -6.294 -2.176 -2.973 1.00 63.14 H new ATOM 0 HB3 LEU A 24 -5.880 -3.602 -2.042 1.00 63.14 H new ATOM 0 HG LEU A 24 -4.115 -1.142 -2.426 1.00 24.42 H new ATOM 0 HD11 LEU A 24 -4.480 -0.745 0.001 1.00 43.25 H new ATOM 0 HD12 LEU A 24 -5.998 -0.682 -0.925 1.00 43.25 H new ATOM 0 HD13 LEU A 24 -5.607 -2.121 0.046 1.00 43.25 H new ATOM 0 HD21 LEU A 24 -2.577 -2.164 -0.758 1.00 52.32 H new ATOM 0 HD22 LEU A 24 -3.567 -3.643 -0.767 1.00 52.32 H new ATOM 0 HD23 LEU A 24 -2.704 -3.141 -2.240 1.00 52.32 H new ATOM 371 N GLN A 25 -6.550 -3.593 -5.752 1.00 12.11 N ATOM 372 CA GLN A 25 -7.543 -4.191 -6.694 1.00 52.25 C ATOM 373 C GLN A 25 -6.916 -4.311 -8.111 1.00 44.54 C ATOM 374 O GLN A 25 -7.624 -4.281 -9.122 1.00 23.24 O ATOM 375 CB GLN A 25 -8.843 -3.312 -6.703 1.00 52.34 C ATOM 376 CG GLN A 25 -8.680 -1.891 -7.281 1.00 43.30 C ATOM 377 CD GLN A 25 -9.922 -0.992 -7.173 1.00 64.45 C ATOM 378 OE1 GLN A 25 -9.810 0.224 -7.036 1.00 45.12 O ATOM 379 NE2 GLN A 25 -11.108 -1.559 -7.278 1.00 74.44 N ATOM 0 H GLN A 25 -6.353 -2.612 -5.951 1.00 12.11 H new ATOM 0 HA GLN A 25 -7.816 -5.195 -6.368 1.00 52.25 H new ATOM 0 HB2 GLN A 25 -9.609 -3.833 -7.277 1.00 52.34 H new ATOM 0 HB3 GLN A 25 -9.212 -3.229 -5.681 1.00 52.34 H new ATOM 0 HG2 GLN A 25 -7.852 -1.401 -6.769 1.00 43.30 H new ATOM 0 HG3 GLN A 25 -8.402 -1.974 -8.332 1.00 43.30 H new ATOM 0 HE21 GLN A 25 -11.182 -2.570 -7.391 1.00 74.44 H new ATOM 0 HE22 GLN A 25 -11.952 -0.987 -7.246 1.00 74.44 H new ATOM 388 N THR A 26 -5.569 -4.484 -8.160 1.00 43.01 N ATOM 389 CA THR A 26 -4.789 -4.607 -9.430 1.00 11.03 C ATOM 390 C THR A 26 -5.283 -5.778 -10.306 1.00 1.41 C ATOM 391 O THR A 26 -5.255 -5.713 -11.542 1.00 74.14 O ATOM 392 CB THR A 26 -3.244 -4.704 -9.157 1.00 73.40 C ATOM 393 OG1 THR A 26 -2.517 -4.853 -10.390 1.00 60.14 O ATOM 394 CG2 THR A 26 -2.873 -5.848 -8.197 1.00 54.22 C ATOM 0 H THR A 26 -4.989 -4.543 -7.323 1.00 43.01 H new ATOM 0 HA THR A 26 -4.964 -3.691 -9.995 1.00 11.03 H new ATOM 0 HB THR A 26 -2.962 -3.769 -8.673 1.00 73.40 H new ATOM 0 HG1 THR A 26 -1.629 -5.223 -10.203 1.00 60.14 H new ATOM 0 HG21 THR A 26 -1.793 -5.863 -8.049 1.00 54.22 H new ATOM 0 HG22 THR A 26 -3.369 -5.694 -7.239 1.00 54.22 H new ATOM 0 HG23 THR A 26 -3.194 -6.799 -8.623 1.00 54.22 H new ATOM 402 N ASP A 27 -5.734 -6.850 -9.646 1.00 62.14 N ATOM 403 CA ASP A 27 -6.638 -7.847 -10.246 1.00 13.34 C ATOM 404 C ASP A 27 -7.848 -8.023 -9.294 1.00 3.03 C ATOM 405 O ASP A 27 -8.824 -7.272 -9.393 1.00 21.13 O ATOM 406 CB ASP A 27 -5.895 -9.179 -10.522 1.00 53.32 C ATOM 407 CG ASP A 27 -6.771 -10.220 -11.246 1.00 54.02 C ATOM 408 OD1 ASP A 27 -6.890 -10.148 -12.487 1.00 40.31 O ATOM 409 OD2 ASP A 27 -7.347 -11.109 -10.578 1.00 43.25 O ATOM 0 H ASP A 27 -5.484 -7.054 -8.678 1.00 62.14 H new ATOM 0 HA ASP A 27 -6.997 -7.506 -11.217 1.00 13.34 H new ATOM 0 HB2 ASP A 27 -5.009 -8.976 -11.124 1.00 53.32 H new ATOM 0 HB3 ASP A 27 -5.549 -9.598 -9.577 1.00 53.32 H new ATOM 414 N HIS A 28 -7.739 -8.958 -8.320 1.00 0.54 N ATOM 415 CA HIS A 28 -8.809 -9.268 -7.327 1.00 32.42 C ATOM 416 C HIS A 28 -8.174 -9.693 -5.988 1.00 45.22 C ATOM 417 O HIS A 28 -8.720 -10.508 -5.238 1.00 70.11 O ATOM 418 CB HIS A 28 -9.760 -10.376 -7.870 1.00 1.53 C ATOM 419 CG HIS A 28 -10.611 -9.932 -9.022 1.00 22.00 C ATOM 420 ND1 HIS A 28 -10.694 -10.605 -10.220 1.00 64.01 N ATOM 421 CD2 HIS A 28 -11.396 -8.843 -9.150 1.00 42.01 C ATOM 422 CE1 HIS A 28 -11.504 -9.958 -11.023 1.00 60.51 C ATOM 423 NE2 HIS A 28 -11.945 -8.887 -10.403 1.00 73.44 N ATOM 0 H HIS A 28 -6.901 -9.526 -8.196 1.00 0.54 H new ATOM 0 HA HIS A 28 -9.406 -8.371 -7.160 1.00 32.42 H new ATOM 0 HB2 HIS A 28 -9.163 -11.234 -8.181 1.00 1.53 H new ATOM 0 HB3 HIS A 28 -10.408 -10.714 -7.061 1.00 1.53 H new ATOM 0 HD2 HIS A 28 -11.561 -8.080 -8.404 1.00 42.01 H new ATOM 0 HE1 HIS A 28 -11.765 -10.256 -12.028 1.00 60.51 H new ATOM 0 HE2 HIS A 28 -12.591 -8.200 -10.792 1.00 73.44 H new ATOM 432 N ASP A 29 -7.046 -9.060 -5.674 1.00 64.02 N ATOM 433 CA ASP A 29 -6.175 -9.437 -4.548 1.00 34.44 C ATOM 434 C ASP A 29 -6.818 -9.136 -3.173 1.00 74.41 C ATOM 435 O ASP A 29 -6.671 -9.919 -2.232 1.00 51.10 O ATOM 436 CB ASP A 29 -4.826 -8.712 -4.720 1.00 11.41 C ATOM 437 CG ASP A 29 -4.207 -9.011 -6.099 1.00 54.50 C ATOM 438 OD1 ASP A 29 -4.640 -8.392 -7.100 1.00 52.40 O ATOM 439 OD2 ASP A 29 -3.328 -9.897 -6.193 1.00 32.43 O ATOM 0 H ASP A 29 -6.700 -8.257 -6.199 1.00 64.02 H new ATOM 0 HA ASP A 29 -6.021 -10.516 -4.562 1.00 34.44 H new ATOM 0 HB2 ASP A 29 -4.970 -7.637 -4.608 1.00 11.41 H new ATOM 0 HB3 ASP A 29 -4.139 -9.025 -3.934 1.00 11.41 H new ATOM 444 N HIS A 30 -7.528 -7.996 -3.063 1.00 5.41 N ATOM 445 CA HIS A 30 -8.303 -7.654 -1.835 1.00 55.11 C ATOM 446 C HIS A 30 -9.550 -8.564 -1.666 1.00 21.14 C ATOM 447 O HIS A 30 -10.039 -8.753 -0.552 1.00 71.12 O ATOM 448 CB HIS A 30 -8.719 -6.159 -1.845 1.00 22.04 C ATOM 449 CG HIS A 30 -9.833 -5.812 -2.801 1.00 64.44 C ATOM 450 ND1 HIS A 30 -11.135 -5.579 -2.397 1.00 65.02 N ATOM 451 CD2 HIS A 30 -9.832 -5.644 -4.140 1.00 5.23 C ATOM 452 CE1 HIS A 30 -11.874 -5.289 -3.445 1.00 2.02 C ATOM 453 NE2 HIS A 30 -11.109 -5.320 -4.510 1.00 34.40 N ATOM 0 H HIS A 30 -7.586 -7.294 -3.801 1.00 5.41 H new ATOM 0 HA HIS A 30 -7.649 -7.830 -0.981 1.00 55.11 H new ATOM 0 HB2 HIS A 30 -9.024 -5.876 -0.838 1.00 22.04 H new ATOM 0 HB3 HIS A 30 -7.846 -5.556 -2.095 1.00 22.04 H new ATOM 0 HD1 HIS A 30 -11.470 -5.625 -1.435 1.00 65.02 H new ATOM 0 HD2 HIS A 30 -8.981 -5.746 -4.797 1.00 5.23 H new ATOM 0 HE1 HIS A 30 -12.930 -5.064 -3.431 1.00 2.02 H new ATOM 462 N VAL A 31 -10.045 -9.112 -2.796 1.00 35.15 N ATOM 463 CA VAL A 31 -11.215 -10.028 -2.836 1.00 40.52 C ATOM 464 C VAL A 31 -10.830 -11.431 -2.290 1.00 1.14 C ATOM 465 O VAL A 31 -11.653 -12.113 -1.673 1.00 44.42 O ATOM 466 CB VAL A 31 -11.781 -10.160 -4.306 1.00 24.12 C ATOM 467 CG1 VAL A 31 -13.086 -10.991 -4.359 1.00 3.04 C ATOM 468 CG2 VAL A 31 -11.988 -8.771 -4.949 1.00 64.12 C ATOM 0 H VAL A 31 -9.644 -8.932 -3.716 1.00 35.15 H new ATOM 0 HA VAL A 31 -11.993 -9.603 -2.202 1.00 40.52 H new ATOM 0 HB VAL A 31 -11.032 -10.700 -4.886 1.00 24.12 H new ATOM 0 HG11 VAL A 31 -13.436 -11.053 -5.389 1.00 3.04 H new ATOM 0 HG12 VAL A 31 -12.894 -11.995 -3.980 1.00 3.04 H new ATOM 0 HG13 VAL A 31 -13.848 -10.511 -3.745 1.00 3.04 H new ATOM 0 HG21 VAL A 31 -12.378 -8.892 -5.960 1.00 64.12 H new ATOM 0 HG22 VAL A 31 -12.697 -8.196 -4.353 1.00 64.12 H new ATOM 0 HG23 VAL A 31 -11.035 -8.243 -4.989 1.00 64.12 H new ATOM 478 N ALA A 32 -9.557 -11.830 -2.534 1.00 35.24 N ATOM 479 CA ALA A 32 -8.976 -13.115 -2.051 1.00 32.12 C ATOM 480 C ALA A 32 -9.099 -13.292 -0.514 1.00 24.33 C ATOM 481 O ALA A 32 -9.230 -14.417 -0.017 1.00 62.54 O ATOM 482 CB ALA A 32 -7.503 -13.223 -2.496 1.00 20.54 C ATOM 0 H ALA A 32 -8.898 -11.269 -3.074 1.00 35.24 H new ATOM 0 HA ALA A 32 -9.554 -13.922 -2.501 1.00 32.12 H new ATOM 0 HB1 ALA A 32 -7.083 -14.164 -2.140 1.00 20.54 H new ATOM 0 HB2 ALA A 32 -7.448 -13.190 -3.584 1.00 20.54 H new ATOM 0 HB3 ALA A 32 -6.935 -12.392 -2.079 1.00 20.54 H new ATOM 488 N ILE A 33 -9.057 -12.171 0.223 1.00 5.30 N ATOM 489 CA ILE A 33 -9.266 -12.154 1.689 1.00 40.13 C ATOM 490 C ILE A 33 -10.714 -11.692 2.020 1.00 65.10 C ATOM 491 O ILE A 33 -11.370 -12.238 2.913 1.00 30.20 O ATOM 492 CB ILE A 33 -8.227 -11.207 2.415 1.00 12.52 C ATOM 493 CG1 ILE A 33 -6.743 -11.588 2.049 1.00 63.13 C ATOM 494 CG2 ILE A 33 -8.431 -11.220 3.954 1.00 33.41 C ATOM 495 CD1 ILE A 33 -6.222 -10.996 0.747 1.00 75.51 C ATOM 0 H ILE A 33 -8.878 -11.249 -0.175 1.00 5.30 H new ATOM 0 HA ILE A 33 -9.113 -13.169 2.055 1.00 40.13 H new ATOM 0 HB ILE A 33 -8.411 -10.194 2.057 1.00 12.52 H new ATOM 0 HG12 ILE A 33 -6.092 -11.266 2.862 1.00 63.13 H new ATOM 0 HG13 ILE A 33 -6.668 -12.674 1.991 1.00 63.13 H new ATOM 0 HG21 ILE A 33 -7.702 -10.560 4.423 1.00 33.41 H new ATOM 0 HG22 ILE A 33 -9.438 -10.875 4.191 1.00 33.41 H new ATOM 0 HG23 ILE A 33 -8.297 -12.234 4.330 1.00 33.41 H new ATOM 0 HD11 ILE A 33 -5.193 -11.318 0.587 1.00 75.51 H new ATOM 0 HD12 ILE A 33 -6.842 -11.337 -0.082 1.00 75.51 H new ATOM 0 HD13 ILE A 33 -6.257 -9.908 0.802 1.00 75.51 H new ATOM 507 N GLY A 34 -11.192 -10.681 1.271 1.00 55.41 N ATOM 508 CA GLY A 34 -12.521 -10.075 1.485 1.00 35.42 C ATOM 509 C GLY A 34 -12.473 -8.696 2.166 1.00 52.15 C ATOM 510 O GLY A 34 -13.481 -8.231 2.711 1.00 23.04 O ATOM 0 H GLY A 34 -10.670 -10.261 0.502 1.00 55.41 H new ATOM 0 HA2 GLY A 34 -13.024 -9.977 0.523 1.00 35.42 H new ATOM 0 HA3 GLY A 34 -13.124 -10.749 2.093 1.00 35.42 H new ATOM 514 N ALA A 35 -11.296 -8.042 2.127 1.00 45.11 N ATOM 515 CA ALA A 35 -11.086 -6.704 2.730 1.00 24.41 C ATOM 516 C ALA A 35 -11.361 -5.576 1.706 1.00 44.12 C ATOM 517 O ALA A 35 -10.916 -5.656 0.554 1.00 14.44 O ATOM 518 CB ALA A 35 -9.652 -6.608 3.266 1.00 11.50 C ATOM 0 H ALA A 35 -10.463 -8.423 1.678 1.00 45.11 H new ATOM 0 HA ALA A 35 -11.790 -6.577 3.552 1.00 24.41 H new ATOM 0 HB1 ALA A 35 -9.495 -5.625 3.710 1.00 11.50 H new ATOM 0 HB2 ALA A 35 -9.494 -7.377 4.022 1.00 11.50 H new ATOM 0 HB3 ALA A 35 -8.947 -6.753 2.447 1.00 11.50 H new ATOM 524 N ASP A 36 -12.098 -4.527 2.131 1.00 13.34 N ATOM 525 CA ASP A 36 -12.452 -3.377 1.261 1.00 51.51 C ATOM 526 C ASP A 36 -11.249 -2.420 1.074 1.00 41.03 C ATOM 527 O ASP A 36 -10.889 -1.665 1.980 1.00 61.43 O ATOM 528 CB ASP A 36 -13.673 -2.629 1.833 1.00 24.22 C ATOM 529 CG ASP A 36 -14.906 -3.532 1.948 1.00 62.14 C ATOM 530 OD1 ASP A 36 -15.676 -3.633 0.967 1.00 35.11 O ATOM 531 OD2 ASP A 36 -15.093 -4.168 3.006 1.00 61.30 O ATOM 0 H ASP A 36 -12.464 -4.450 3.080 1.00 13.34 H new ATOM 0 HA ASP A 36 -12.715 -3.764 0.277 1.00 51.51 H new ATOM 0 HB2 ASP A 36 -13.424 -2.230 2.817 1.00 24.22 H new ATOM 0 HB3 ASP A 36 -13.907 -1.778 1.194 1.00 24.22 H new ATOM 536 N CYS A 37 -10.662 -2.454 -0.132 1.00 53.15 N ATOM 537 CA CYS A 37 -9.393 -1.761 -0.466 1.00 52.33 C ATOM 538 C CYS A 37 -9.470 -0.212 -0.388 1.00 12.52 C ATOM 539 O CYS A 37 -8.439 0.436 -0.212 1.00 1.50 O ATOM 540 CB CYS A 37 -8.948 -2.211 -1.877 1.00 51.55 C ATOM 541 SG CYS A 37 -10.232 -2.072 -3.141 1.00 74.02 S ATOM 0 H CYS A 37 -11.056 -2.969 -0.919 1.00 53.15 H new ATOM 0 HA CYS A 37 -8.661 -2.045 0.290 1.00 52.33 H new ATOM 0 HB2 CYS A 37 -8.088 -1.614 -2.182 1.00 51.55 H new ATOM 0 HB3 CYS A 37 -8.615 -3.248 -1.827 1.00 51.55 H new ATOM 0 HG CYS A 37 -10.761 -0.885 -3.094 1.00 74.02 H new ATOM 547 N GLU A 38 -10.680 0.368 -0.521 1.00 41.23 N ATOM 548 CA GLU A 38 -10.869 1.846 -0.509 1.00 54.41 C ATOM 549 C GLU A 38 -10.721 2.473 0.911 1.00 61.35 C ATOM 550 O GLU A 38 -10.128 3.549 1.058 1.00 2.25 O ATOM 551 CB GLU A 38 -12.211 2.239 -1.214 1.00 21.22 C ATOM 552 CG GLU A 38 -13.473 1.413 -0.847 1.00 10.23 C ATOM 553 CD GLU A 38 -14.028 1.676 0.565 1.00 11.42 C ATOM 554 OE1 GLU A 38 -14.455 2.817 0.837 1.00 31.40 O ATOM 555 OE2 GLU A 38 -14.030 0.750 1.408 1.00 32.51 O ATOM 0 H GLU A 38 -11.546 -0.159 -0.638 1.00 41.23 H new ATOM 0 HA GLU A 38 -10.055 2.280 -1.089 1.00 54.41 H new ATOM 0 HB2 GLU A 38 -12.416 3.286 -0.991 1.00 21.22 H new ATOM 0 HB3 GLU A 38 -12.061 2.166 -2.291 1.00 21.22 H new ATOM 0 HG2 GLU A 38 -14.255 1.627 -1.575 1.00 10.23 H new ATOM 0 HG3 GLU A 38 -13.235 0.353 -0.937 1.00 10.23 H new ATOM 562 N ARG A 39 -11.254 1.802 1.956 1.00 61.32 N ATOM 563 CA ARG A 39 -11.080 2.257 3.364 1.00 62.11 C ATOM 564 C ARG A 39 -9.651 1.957 3.866 1.00 43.40 C ATOM 565 O ARG A 39 -9.132 2.669 4.723 1.00 75.12 O ATOM 566 CB ARG A 39 -12.138 1.629 4.320 1.00 70.22 C ATOM 567 CG ARG A 39 -12.187 0.085 4.330 1.00 53.14 C ATOM 568 CD ARG A 39 -13.117 -0.473 5.424 1.00 60.22 C ATOM 569 NE ARG A 39 -13.407 -1.907 5.246 1.00 24.41 N ATOM 570 CZ ARG A 39 -14.027 -2.677 6.123 1.00 24.43 C ATOM 571 NH1 ARG A 39 -14.341 -2.249 7.309 1.00 53.41 N ATOM 572 NH2 ARG A 39 -14.334 -3.889 5.800 1.00 63.45 N ATOM 0 H ARG A 39 -11.805 0.949 1.858 1.00 61.32 H new ATOM 0 HA ARG A 39 -11.235 3.336 3.372 1.00 62.11 H new ATOM 0 HB2 ARG A 39 -11.938 1.976 5.334 1.00 70.22 H new ATOM 0 HB3 ARG A 39 -13.123 2.005 4.042 1.00 70.22 H new ATOM 0 HG2 ARG A 39 -12.524 -0.270 3.356 1.00 53.14 H new ATOM 0 HG3 ARG A 39 -11.181 -0.305 4.481 1.00 53.14 H new ATOM 0 HD2 ARG A 39 -12.657 -0.318 6.400 1.00 60.22 H new ATOM 0 HD3 ARG A 39 -14.053 0.086 5.420 1.00 60.22 H new ATOM 0 HE ARG A 39 -13.104 -2.341 4.374 1.00 24.41 H new ATOM 0 HH11 ARG A 39 -14.109 -1.295 7.585 1.00 53.41 H new ATOM 0 HH12 ARG A 39 -14.820 -2.867 7.964 1.00 53.41 H new ATOM 0 HH21 ARG A 39 -14.098 -4.245 4.874 1.00 63.45 H new ATOM 0 HH22 ARG A 39 -14.813 -4.490 6.471 1.00 63.45 H new ATOM 586 N LEU A 40 -9.032 0.893 3.315 1.00 23.13 N ATOM 587 CA LEU A 40 -7.632 0.537 3.617 1.00 74.00 C ATOM 588 C LEU A 40 -6.662 1.601 3.066 1.00 22.34 C ATOM 589 O LEU A 40 -5.869 2.153 3.816 1.00 44.34 O ATOM 590 CB LEU A 40 -7.286 -0.859 3.033 1.00 74.31 C ATOM 591 CG LEU A 40 -8.126 -2.052 3.584 1.00 44.30 C ATOM 592 CD1 LEU A 40 -7.690 -3.389 2.950 1.00 41.10 C ATOM 593 CD2 LEU A 40 -8.070 -2.118 5.127 1.00 22.35 C ATOM 0 H LEU A 40 -9.485 0.262 2.654 1.00 23.13 H new ATOM 0 HA LEU A 40 -7.520 0.500 4.701 1.00 74.00 H new ATOM 0 HB2 LEU A 40 -7.411 -0.820 1.951 1.00 74.31 H new ATOM 0 HB3 LEU A 40 -6.232 -1.062 3.225 1.00 74.31 H new ATOM 0 HG LEU A 40 -9.164 -1.877 3.301 1.00 44.30 H new ATOM 0 HD11 LEU A 40 -8.296 -4.199 3.356 1.00 41.10 H new ATOM 0 HD12 LEU A 40 -7.826 -3.341 1.870 1.00 41.10 H new ATOM 0 HD13 LEU A 40 -6.640 -3.573 3.175 1.00 41.10 H new ATOM 0 HD21 LEU A 40 -8.666 -2.961 5.477 1.00 22.35 H new ATOM 0 HD22 LEU A 40 -7.036 -2.246 5.448 1.00 22.35 H new ATOM 0 HD23 LEU A 40 -8.468 -1.194 5.545 1.00 22.35 H new ATOM 605 N SER A 41 -6.787 1.905 1.756 1.00 72.33 N ATOM 606 CA SER A 41 -5.894 2.852 1.028 1.00 43.15 C ATOM 607 C SER A 41 -5.822 4.230 1.710 1.00 54.42 C ATOM 608 O SER A 41 -4.769 4.849 1.737 1.00 42.34 O ATOM 609 CB SER A 41 -6.379 3.048 -0.421 1.00 3.31 C ATOM 610 OG SER A 41 -7.654 3.677 -0.449 1.00 30.34 O ATOM 0 H SER A 41 -7.513 1.501 1.164 1.00 72.33 H new ATOM 0 HA SER A 41 -4.899 2.407 1.039 1.00 43.15 H new ATOM 0 HB2 SER A 41 -5.658 3.653 -0.971 1.00 3.31 H new ATOM 0 HB3 SER A 41 -6.434 2.083 -0.924 1.00 3.31 H new ATOM 0 HG SER A 41 -8.013 3.649 -1.361 1.00 30.34 H new ATOM 616 N ALA A 42 -6.974 4.686 2.236 1.00 42.30 N ATOM 617 CA ALA A 42 -7.087 5.935 3.022 1.00 61.22 C ATOM 618 C ALA A 42 -6.190 5.907 4.294 1.00 35.33 C ATOM 619 O ALA A 42 -5.490 6.876 4.589 1.00 2.12 O ATOM 620 CB ALA A 42 -8.558 6.169 3.409 1.00 22.03 C ATOM 0 H ALA A 42 -7.862 4.196 2.128 1.00 42.30 H new ATOM 0 HA ALA A 42 -6.736 6.758 2.399 1.00 61.22 H new ATOM 0 HB1 ALA A 42 -8.640 7.089 3.988 1.00 22.03 H new ATOM 0 HB2 ALA A 42 -9.163 6.253 2.506 1.00 22.03 H new ATOM 0 HB3 ALA A 42 -8.915 5.331 4.008 1.00 22.03 H new ATOM 626 N GLN A 43 -6.223 4.770 5.022 1.00 30.12 N ATOM 627 CA GLN A 43 -5.450 4.569 6.280 1.00 64.45 C ATOM 628 C GLN A 43 -3.924 4.446 6.012 1.00 50.13 C ATOM 629 O GLN A 43 -3.111 5.013 6.755 1.00 31.14 O ATOM 630 CB GLN A 43 -5.972 3.306 7.018 1.00 31.42 C ATOM 631 CG GLN A 43 -7.473 3.355 7.385 1.00 2.01 C ATOM 632 CD GLN A 43 -8.001 2.059 8.021 1.00 54.12 C ATOM 633 OE1 GLN A 43 -7.282 1.351 8.719 1.00 71.31 O ATOM 634 NE2 GLN A 43 -9.261 1.731 7.780 1.00 60.13 N ATOM 0 H GLN A 43 -6.785 3.961 4.759 1.00 30.12 H new ATOM 0 HA GLN A 43 -5.597 5.448 6.908 1.00 64.45 H new ATOM 0 HB2 GLN A 43 -5.792 2.433 6.390 1.00 31.42 H new ATOM 0 HB3 GLN A 43 -5.392 3.167 7.930 1.00 31.42 H new ATOM 0 HG2 GLN A 43 -7.641 4.182 8.075 1.00 2.01 H new ATOM 0 HG3 GLN A 43 -8.050 3.568 6.485 1.00 2.01 H new ATOM 0 HE21 GLN A 43 -9.842 2.333 7.197 1.00 60.13 H new ATOM 0 HE22 GLN A 43 -9.650 0.876 8.177 1.00 60.13 H new ATOM 643 N ILE A 44 -3.551 3.685 4.954 1.00 2.32 N ATOM 644 CA ILE A 44 -2.149 3.601 4.464 1.00 44.24 C ATOM 645 C ILE A 44 -1.644 5.007 4.045 1.00 64.44 C ATOM 646 O ILE A 44 -0.538 5.423 4.409 1.00 45.31 O ATOM 647 CB ILE A 44 -1.994 2.577 3.246 1.00 62.45 C ATOM 648 CG1 ILE A 44 -2.015 1.082 3.724 1.00 73.41 C ATOM 649 CG2 ILE A 44 -0.696 2.829 2.420 1.00 23.02 C ATOM 650 CD1 ILE A 44 -3.337 0.536 4.228 1.00 45.11 C ATOM 0 H ILE A 44 -4.206 3.116 4.419 1.00 2.32 H new ATOM 0 HA ILE A 44 -1.540 3.224 5.286 1.00 44.24 H new ATOM 0 HB ILE A 44 -2.857 2.757 2.605 1.00 62.45 H new ATOM 0 HG12 ILE A 44 -1.685 0.457 2.894 1.00 73.41 H new ATOM 0 HG13 ILE A 44 -1.278 0.971 4.519 1.00 73.41 H new ATOM 0 HG21 ILE A 44 -0.638 2.108 1.605 1.00 23.02 H new ATOM 0 HG22 ILE A 44 -0.716 3.839 2.010 1.00 23.02 H new ATOM 0 HG23 ILE A 44 0.174 2.717 3.067 1.00 23.02 H new ATOM 0 HD11 ILE A 44 -3.211 -0.505 4.526 1.00 45.11 H new ATOM 0 HD12 ILE A 44 -3.669 1.121 5.086 1.00 45.11 H new ATOM 0 HD13 ILE A 44 -4.083 0.599 3.435 1.00 45.11 H new ATOM 662 N GLU A 45 -2.496 5.737 3.304 1.00 24.51 N ATOM 663 CA GLU A 45 -2.157 7.060 2.743 1.00 33.24 C ATOM 664 C GLU A 45 -1.886 8.105 3.845 1.00 73.10 C ATOM 665 O GLU A 45 -0.940 8.870 3.733 1.00 34.22 O ATOM 666 CB GLU A 45 -3.276 7.556 1.803 1.00 33.24 C ATOM 667 CG GLU A 45 -2.977 8.889 1.086 1.00 53.04 C ATOM 668 CD GLU A 45 -4.106 9.333 0.152 1.00 24.44 C ATOM 669 OE1 GLU A 45 -5.265 9.432 0.625 1.00 43.21 O ATOM 670 OE2 GLU A 45 -3.841 9.605 -1.035 1.00 74.32 O ATOM 0 H GLU A 45 -3.441 5.427 3.076 1.00 24.51 H new ATOM 0 HA GLU A 45 -1.238 6.939 2.170 1.00 33.24 H new ATOM 0 HB2 GLU A 45 -3.465 6.790 1.051 1.00 33.24 H new ATOM 0 HB3 GLU A 45 -4.193 7.669 2.381 1.00 33.24 H new ATOM 0 HG2 GLU A 45 -2.803 9.665 1.831 1.00 53.04 H new ATOM 0 HG3 GLU A 45 -2.056 8.787 0.511 1.00 53.04 H new ATOM 677 N GLU A 46 -2.721 8.117 4.904 1.00 63.31 N ATOM 678 CA GLU A 46 -2.545 9.014 6.080 1.00 3.15 C ATOM 679 C GLU A 46 -1.138 8.874 6.720 1.00 13.01 C ATOM 680 O GLU A 46 -0.472 9.873 7.032 1.00 65.22 O ATOM 681 CB GLU A 46 -3.652 8.713 7.143 1.00 5.42 C ATOM 682 CG GLU A 46 -5.076 9.207 6.778 1.00 52.42 C ATOM 683 CD GLU A 46 -5.270 10.728 6.957 1.00 63.13 C ATOM 684 OE1 GLU A 46 -4.679 11.517 6.184 1.00 2.10 O ATOM 685 OE2 GLU A 46 -6.020 11.147 7.871 1.00 0.05 O ATOM 0 H GLU A 46 -3.537 7.509 4.975 1.00 63.31 H new ATOM 0 HA GLU A 46 -2.639 10.042 5.729 1.00 3.15 H new ATOM 0 HB2 GLU A 46 -3.690 7.636 7.308 1.00 5.42 H new ATOM 0 HB3 GLU A 46 -3.358 9.170 8.088 1.00 5.42 H new ATOM 0 HG2 GLU A 46 -5.289 8.942 5.742 1.00 52.42 H new ATOM 0 HG3 GLU A 46 -5.803 8.682 7.397 1.00 52.42 H new ATOM 692 N CYS A 47 -0.690 7.622 6.865 1.00 51.53 N ATOM 693 CA CYS A 47 0.581 7.288 7.539 1.00 12.44 C ATOM 694 C CYS A 47 1.824 7.639 6.676 1.00 63.32 C ATOM 695 O CYS A 47 2.852 8.054 7.214 1.00 2.44 O ATOM 696 CB CYS A 47 0.572 5.798 7.918 1.00 42.10 C ATOM 697 SG CYS A 47 -0.861 5.309 8.922 1.00 60.34 S ATOM 0 H CYS A 47 -1.196 6.806 6.519 1.00 51.53 H new ATOM 0 HA CYS A 47 0.659 7.897 8.440 1.00 12.44 H new ATOM 0 HB2 CYS A 47 0.587 5.200 7.007 1.00 42.10 H new ATOM 0 HB3 CYS A 47 1.485 5.566 8.466 1.00 42.10 H new ATOM 0 HG CYS A 47 -1.896 5.147 8.152 1.00 60.34 H new ATOM 703 N ILE A 48 1.731 7.469 5.341 1.00 21.21 N ATOM 704 CA ILE A 48 2.832 7.853 4.411 1.00 71.33 C ATOM 705 C ILE A 48 2.813 9.394 4.120 1.00 2.44 C ATOM 706 O ILE A 48 3.859 10.002 3.876 1.00 12.15 O ATOM 707 CB ILE A 48 2.771 7.011 3.066 1.00 70.41 C ATOM 708 CG1 ILE A 48 4.068 7.208 2.207 1.00 51.11 C ATOM 709 CG2 ILE A 48 1.502 7.339 2.240 1.00 41.20 C ATOM 710 CD1 ILE A 48 4.088 6.475 0.873 1.00 12.00 C ATOM 0 H ILE A 48 0.914 7.072 4.878 1.00 21.21 H new ATOM 0 HA ILE A 48 3.777 7.619 4.901 1.00 71.33 H new ATOM 0 HB ILE A 48 2.715 5.960 3.349 1.00 70.41 H new ATOM 0 HG12 ILE A 48 4.199 8.273 2.018 1.00 51.11 H new ATOM 0 HG13 ILE A 48 4.925 6.880 2.795 1.00 51.11 H new ATOM 0 HG21 ILE A 48 1.497 6.743 1.328 1.00 41.20 H new ATOM 0 HG22 ILE A 48 0.615 7.108 2.829 1.00 41.20 H new ATOM 0 HG23 ILE A 48 1.500 8.398 1.981 1.00 41.20 H new ATOM 0 HD11 ILE A 48 5.028 6.679 0.360 1.00 12.00 H new ATOM 0 HD12 ILE A 48 3.994 5.403 1.046 1.00 12.00 H new ATOM 0 HD13 ILE A 48 3.257 6.818 0.257 1.00 12.00 H new ATOM 722 N PHE A 49 1.611 10.010 4.231 1.00 54.51 N ATOM 723 CA PHE A 49 1.356 11.456 3.922 1.00 74.43 C ATOM 724 C PHE A 49 2.204 12.423 4.795 1.00 41.11 C ATOM 725 O PHE A 49 2.475 13.558 4.387 1.00 0.02 O ATOM 726 CB PHE A 49 -0.164 11.761 4.105 1.00 23.02 C ATOM 727 CG PHE A 49 -0.624 13.169 3.701 1.00 41.33 C ATOM 728 CD1 PHE A 49 -1.042 13.442 2.394 1.00 40.11 C ATOM 729 CD2 PHE A 49 -0.649 14.215 4.628 1.00 13.00 C ATOM 730 CE1 PHE A 49 -1.463 14.709 2.031 1.00 31.33 C ATOM 731 CE2 PHE A 49 -1.068 15.481 4.262 1.00 3.52 C ATOM 732 CZ PHE A 49 -1.479 15.727 2.965 1.00 24.54 C ATOM 0 H PHE A 49 0.773 9.518 4.541 1.00 54.51 H new ATOM 0 HA PHE A 49 1.658 11.627 2.889 1.00 74.43 H new ATOM 0 HB2 PHE A 49 -0.732 11.035 3.524 1.00 23.02 H new ATOM 0 HB3 PHE A 49 -0.422 11.603 5.152 1.00 23.02 H new ATOM 0 HD1 PHE A 49 -1.036 12.652 1.658 1.00 40.11 H new ATOM 0 HD2 PHE A 49 -0.336 14.032 5.645 1.00 13.00 H new ATOM 0 HE1 PHE A 49 -1.779 14.902 1.017 1.00 31.33 H new ATOM 0 HE2 PHE A 49 -1.074 16.279 4.990 1.00 3.52 H new ATOM 0 HZ PHE A 49 -1.812 16.715 2.682 1.00 24.54 H new ATOM 742 N ARG A 50 2.606 11.944 5.984 1.00 31.42 N ATOM 743 CA ARG A 50 3.334 12.734 7.005 1.00 41.44 C ATOM 744 C ARG A 50 4.575 13.460 6.415 1.00 44.33 C ATOM 745 O ARG A 50 4.710 14.687 6.535 1.00 43.13 O ATOM 746 CB ARG A 50 3.746 11.790 8.175 1.00 20.24 C ATOM 747 CG ARG A 50 2.573 10.995 8.802 1.00 51.25 C ATOM 748 CD ARG A 50 1.462 11.900 9.366 1.00 1.33 C ATOM 749 NE ARG A 50 1.967 12.847 10.373 1.00 30.42 N ATOM 750 CZ ARG A 50 1.331 13.926 10.785 1.00 72.02 C ATOM 751 NH1 ARG A 50 0.166 14.257 10.307 1.00 40.25 N ATOM 752 NH2 ARG A 50 1.882 14.678 11.678 1.00 12.32 N ATOM 0 H ARG A 50 2.434 10.981 6.273 1.00 31.42 H new ATOM 0 HA ARG A 50 2.669 13.515 7.375 1.00 41.44 H new ATOM 0 HB2 ARG A 50 4.493 11.085 7.810 1.00 20.24 H new ATOM 0 HB3 ARG A 50 4.223 12.385 8.954 1.00 20.24 H new ATOM 0 HG2 ARG A 50 2.146 10.333 8.048 1.00 51.25 H new ATOM 0 HG3 ARG A 50 2.958 10.361 9.601 1.00 51.25 H new ATOM 0 HD2 ARG A 50 0.999 12.454 8.550 1.00 1.33 H new ATOM 0 HD3 ARG A 50 0.684 11.281 9.812 1.00 1.33 H new ATOM 0 HE ARG A 50 2.880 12.654 10.784 1.00 30.42 H new ATOM 0 HH11 ARG A 50 -0.277 13.676 9.595 1.00 40.25 H new ATOM 0 HH12 ARG A 50 -0.303 15.097 10.644 1.00 40.25 H new ATOM 0 HH21 ARG A 50 2.798 14.434 12.055 1.00 12.32 H new ATOM 0 HH22 ARG A 50 1.402 15.516 12.006 1.00 12.32 H new ATOM 766 N ASP A 51 5.469 12.686 5.784 1.00 13.25 N ATOM 767 CA ASP A 51 6.620 13.224 5.024 1.00 72.05 C ATOM 768 C ASP A 51 6.264 13.450 3.534 1.00 15.11 C ATOM 769 O ASP A 51 6.447 14.542 2.982 1.00 32.14 O ATOM 770 CB ASP A 51 7.810 12.244 5.136 1.00 23.54 C ATOM 771 CG ASP A 51 8.272 12.064 6.587 1.00 14.50 C ATOM 772 OD1 ASP A 51 7.720 11.199 7.297 1.00 1.30 O ATOM 773 OD2 ASP A 51 9.182 12.801 7.026 1.00 55.30 O ATOM 0 H ASP A 51 5.420 11.667 5.783 1.00 13.25 H new ATOM 0 HA ASP A 51 6.889 14.190 5.451 1.00 72.05 H new ATOM 0 HB2 ASP A 51 7.523 11.276 4.724 1.00 23.54 H new ATOM 0 HB3 ASP A 51 8.641 12.612 4.534 1.00 23.54 H new ATOM 778 N VAL A 52 5.733 12.389 2.917 1.00 31.11 N ATOM 779 CA VAL A 52 5.579 12.266 1.447 1.00 13.04 C ATOM 780 C VAL A 52 4.503 13.200 0.853 1.00 4.12 C ATOM 781 O VAL A 52 4.683 13.714 -0.248 1.00 34.32 O ATOM 782 CB VAL A 52 5.288 10.755 1.080 1.00 63.25 C ATOM 783 CG1 VAL A 52 4.958 10.532 -0.408 1.00 71.11 C ATOM 784 CG2 VAL A 52 6.481 9.872 1.485 1.00 74.31 C ATOM 0 H VAL A 52 5.390 11.574 3.425 1.00 31.11 H new ATOM 0 HA VAL A 52 6.517 12.589 0.995 1.00 13.04 H new ATOM 0 HB VAL A 52 4.398 10.473 1.642 1.00 63.25 H new ATOM 0 HG11 VAL A 52 4.770 9.473 -0.584 1.00 71.11 H new ATOM 0 HG12 VAL A 52 4.071 11.107 -0.674 1.00 71.11 H new ATOM 0 HG13 VAL A 52 5.799 10.858 -1.020 1.00 71.11 H new ATOM 0 HG21 VAL A 52 6.269 8.834 1.228 1.00 74.31 H new ATOM 0 HG22 VAL A 52 7.375 10.202 0.955 1.00 74.31 H new ATOM 0 HG23 VAL A 52 6.645 9.953 2.559 1.00 74.31 H new ATOM 794 N GLY A 53 3.434 13.471 1.622 1.00 13.14 N ATOM 795 CA GLY A 53 2.217 14.152 1.118 1.00 43.23 C ATOM 796 C GLY A 53 2.314 15.669 0.870 1.00 33.32 C ATOM 797 O GLY A 53 1.311 16.378 0.963 1.00 12.43 O ATOM 0 H GLY A 53 3.384 13.226 2.611 1.00 13.14 H new ATOM 0 HA2 GLY A 53 1.925 13.674 0.183 1.00 43.23 H new ATOM 0 HA3 GLY A 53 1.411 13.977 1.831 1.00 43.23 H new ATOM 801 N ASN A 54 3.509 16.153 0.512 1.00 62.12 N ATOM 802 CA ASN A 54 3.759 17.563 0.137 1.00 14.52 C ATOM 803 C ASN A 54 3.448 17.858 -1.362 1.00 0.52 C ATOM 804 O ASN A 54 3.722 18.959 -1.825 1.00 54.33 O ATOM 805 CB ASN A 54 5.239 17.923 0.489 1.00 11.45 C ATOM 806 CG ASN A 54 6.302 16.897 0.033 1.00 74.34 C ATOM 807 OD1 ASN A 54 6.148 16.282 -1.129 1.00 42.31 O flip ATOM 808 ND2 ASN A 54 7.292 16.683 0.723 1.00 72.12 N flip ATOM 0 H ASN A 54 4.347 15.573 0.472 1.00 62.12 H new ATOM 0 HA ASN A 54 3.076 18.192 0.707 1.00 14.52 H new ATOM 0 HB2 ASN A 54 5.476 18.888 0.041 1.00 11.45 H new ATOM 0 HB3 ASN A 54 5.317 18.045 1.569 1.00 11.45 H new ATOM 0 HD21 ASN A 54 7.403 17.161 1.617 1.00 72.12 H new ATOM 0 HD22 ASN A 54 8.005 16.027 0.403 1.00 72.12 H new ATOM 815 N THR A 55 2.890 16.850 -2.084 1.00 74.42 N ATOM 816 CA THR A 55 2.550 16.872 -3.552 1.00 12.22 C ATOM 817 C THR A 55 3.796 16.942 -4.487 1.00 62.41 C ATOM 818 O THR A 55 3.971 16.074 -5.351 1.00 12.34 O ATOM 819 CB THR A 55 1.476 17.947 -3.991 1.00 44.53 C ATOM 820 OG1 THR A 55 1.960 19.289 -3.819 1.00 45.10 O ATOM 821 CG2 THR A 55 0.154 17.766 -3.216 1.00 22.44 C ATOM 0 H THR A 55 2.651 15.958 -1.651 1.00 74.42 H new ATOM 0 HA THR A 55 2.076 15.899 -3.685 1.00 12.22 H new ATOM 0 HB THR A 55 1.288 17.785 -5.052 1.00 44.53 H new ATOM 0 HG1 THR A 55 2.566 19.322 -3.049 1.00 45.10 H new ATOM 0 HG21 THR A 55 -0.564 18.520 -3.540 1.00 22.44 H new ATOM 0 HG22 THR A 55 -0.249 16.773 -3.412 1.00 22.44 H new ATOM 0 HG23 THR A 55 0.340 17.878 -2.148 1.00 22.44 H new ATOM 829 N ASP A 56 4.636 17.978 -4.315 1.00 63.33 N ATOM 830 CA ASP A 56 5.892 18.167 -5.072 1.00 75.31 C ATOM 831 C ASP A 56 6.897 16.986 -4.887 1.00 74.03 C ATOM 832 O ASP A 56 7.174 16.580 -3.761 1.00 35.00 O ATOM 833 CB ASP A 56 6.541 19.498 -4.623 1.00 74.41 C ATOM 834 CG ASP A 56 7.856 19.826 -5.354 1.00 55.45 C ATOM 835 OD1 ASP A 56 7.802 20.215 -6.541 1.00 62.02 O ATOM 836 OD2 ASP A 56 8.944 19.678 -4.756 1.00 4.43 O ATOM 0 H ASP A 56 4.461 18.720 -3.637 1.00 63.33 H new ATOM 0 HA ASP A 56 5.646 18.195 -6.133 1.00 75.31 H new ATOM 0 HB2 ASP A 56 5.833 20.310 -4.787 1.00 74.41 H new ATOM 0 HB3 ASP A 56 6.733 19.454 -3.551 1.00 74.41 H new ATOM 841 N MET A 57 7.401 16.467 -6.028 1.00 44.35 N ATOM 842 CA MET A 57 8.492 15.458 -6.121 1.00 23.53 C ATOM 843 C MET A 57 8.193 14.128 -5.369 1.00 3.13 C ATOM 844 O MET A 57 7.796 13.149 -5.998 1.00 23.42 O ATOM 845 CB MET A 57 9.870 16.072 -5.701 1.00 72.32 C ATOM 846 CG MET A 57 11.107 15.203 -6.050 1.00 72.53 C ATOM 847 SD MET A 57 11.353 13.778 -4.954 1.00 35.43 S ATOM 848 CE MET A 57 11.884 14.577 -3.438 1.00 13.10 C ATOM 0 H MET A 57 7.051 16.745 -6.945 1.00 44.35 H new ATOM 0 HA MET A 57 8.550 15.179 -7.173 1.00 23.53 H new ATOM 0 HB2 MET A 57 9.980 17.044 -6.182 1.00 72.32 H new ATOM 0 HB3 MET A 57 9.860 16.248 -4.625 1.00 72.32 H new ATOM 0 HG2 MET A 57 11.007 14.845 -7.075 1.00 72.53 H new ATOM 0 HG3 MET A 57 11.998 15.830 -6.017 1.00 72.53 H new ATOM 0 HE1 MET A 57 11.572 13.978 -2.582 1.00 13.10 H new ATOM 0 HE2 MET A 57 12.970 14.672 -3.438 1.00 13.10 H new ATOM 0 HE3 MET A 57 11.433 15.567 -3.372 1.00 13.10 H new ATOM 858 N LYS A 58 8.366 14.118 -4.027 1.00 22.43 N ATOM 859 CA LYS A 58 8.308 12.887 -3.191 1.00 2.21 C ATOM 860 C LYS A 58 6.945 12.160 -3.275 1.00 31.52 C ATOM 861 O LYS A 58 6.890 10.930 -3.302 1.00 23.02 O ATOM 862 CB LYS A 58 8.634 13.247 -1.719 1.00 10.43 C ATOM 863 CG LYS A 58 8.813 12.035 -0.777 1.00 72.22 C ATOM 864 CD LYS A 58 9.224 12.440 0.659 1.00 63.04 C ATOM 865 CE LYS A 58 10.544 13.222 0.702 1.00 73.11 C ATOM 866 NZ LYS A 58 10.996 13.476 2.095 1.00 62.22 N ATOM 0 H LYS A 58 8.551 14.964 -3.488 1.00 22.43 H new ATOM 0 HA LYS A 58 9.052 12.194 -3.584 1.00 2.21 H new ATOM 0 HB2 LYS A 58 9.547 13.842 -1.699 1.00 10.43 H new ATOM 0 HB3 LYS A 58 7.835 13.877 -1.329 1.00 10.43 H new ATOM 0 HG2 LYS A 58 7.880 11.472 -0.737 1.00 72.22 H new ATOM 0 HG3 LYS A 58 9.570 11.369 -1.191 1.00 72.22 H new ATOM 0 HD2 LYS A 58 8.433 13.046 1.101 1.00 63.04 H new ATOM 0 HD3 LYS A 58 9.318 11.543 1.272 1.00 63.04 H new ATOM 0 HE2 LYS A 58 11.313 12.665 0.167 1.00 73.11 H new ATOM 0 HE3 LYS A 58 10.420 14.172 0.182 1.00 73.11 H new ATOM 0 HZ1 LYS A 58 11.890 14.006 2.078 1.00 62.22 H new ATOM 0 HZ2 LYS A 58 10.274 14.030 2.599 1.00 62.22 H new ATOM 0 HZ3 LYS A 58 11.140 12.569 2.584 1.00 62.22 H new ATOM 880 N TYR A 59 5.852 12.933 -3.317 1.00 33.35 N ATOM 881 CA TYR A 59 4.483 12.377 -3.405 1.00 70.12 C ATOM 882 C TYR A 59 4.208 11.756 -4.791 1.00 20.44 C ATOM 883 O TYR A 59 3.416 10.824 -4.915 1.00 1.33 O ATOM 884 CB TYR A 59 3.435 13.449 -3.050 1.00 5.22 C ATOM 885 CG TYR A 59 2.009 12.910 -2.838 1.00 60.23 C ATOM 886 CD1 TYR A 59 1.732 12.009 -1.803 1.00 73.22 C ATOM 887 CD2 TYR A 59 0.947 13.281 -3.669 1.00 51.04 C ATOM 888 CE1 TYR A 59 0.464 11.503 -1.603 1.00 71.41 C ATOM 889 CE2 TYR A 59 -0.323 12.773 -3.472 1.00 72.21 C ATOM 890 CZ TYR A 59 -0.558 11.886 -2.437 1.00 3.35 C ATOM 891 OH TYR A 59 -1.819 11.368 -2.262 1.00 35.35 O ATOM 0 H TYR A 59 5.884 13.952 -3.292 1.00 33.35 H new ATOM 0 HA TYR A 59 4.403 11.573 -2.674 1.00 70.12 H new ATOM 0 HB2 TYR A 59 3.753 13.962 -2.143 1.00 5.22 H new ATOM 0 HB3 TYR A 59 3.413 14.193 -3.846 1.00 5.22 H new ATOM 0 HD1 TYR A 59 2.531 11.702 -1.144 1.00 73.22 H new ATOM 0 HD2 TYR A 59 1.122 13.975 -4.477 1.00 51.04 H new ATOM 0 HE1 TYR A 59 0.276 10.810 -0.796 1.00 71.41 H new ATOM 0 HE2 TYR A 59 -1.131 13.068 -4.125 1.00 72.21 H new ATOM 0 HH TYR A 59 -1.800 10.694 -1.551 1.00 35.35 H new ATOM 901 N LYS A 60 4.826 12.309 -5.835 1.00 31.20 N ATOM 902 CA LYS A 60 4.773 11.715 -7.183 1.00 62.04 C ATOM 903 C LYS A 60 5.639 10.430 -7.274 1.00 31.52 C ATOM 904 O LYS A 60 5.142 9.366 -7.647 1.00 55.34 O ATOM 905 CB LYS A 60 5.196 12.774 -8.241 1.00 52.52 C ATOM 906 CG LYS A 60 4.256 14.014 -8.373 1.00 14.34 C ATOM 907 CD LYS A 60 2.829 13.675 -8.924 1.00 74.04 C ATOM 908 CE LYS A 60 1.811 13.256 -7.838 1.00 21.30 C ATOM 909 NZ LYS A 60 0.616 12.596 -8.426 1.00 74.13 N ATOM 0 H LYS A 60 5.372 13.169 -5.779 1.00 31.20 H new ATOM 0 HA LYS A 60 3.747 11.412 -7.391 1.00 62.04 H new ATOM 0 HB2 LYS A 60 6.198 13.126 -7.995 1.00 52.52 H new ATOM 0 HB3 LYS A 60 5.259 12.284 -9.213 1.00 52.52 H new ATOM 0 HG2 LYS A 60 4.154 14.486 -7.396 1.00 14.34 H new ATOM 0 HG3 LYS A 60 4.725 14.744 -9.032 1.00 14.34 H new ATOM 0 HD2 LYS A 60 2.441 14.545 -9.453 1.00 74.04 H new ATOM 0 HD3 LYS A 60 2.916 12.870 -9.654 1.00 74.04 H new ATOM 0 HE2 LYS A 60 2.291 12.577 -7.133 1.00 21.30 H new ATOM 0 HE3 LYS A 60 1.500 14.135 -7.273 1.00 21.30 H new ATOM 0 HZ1 LYS A 60 -0.058 12.361 -7.670 1.00 74.13 H new ATOM 0 HZ2 LYS A 60 0.163 13.240 -9.105 1.00 74.13 H new ATOM 0 HZ3 LYS A 60 0.906 11.725 -8.915 1.00 74.13 H new ATOM 923 N ASN A 61 6.917 10.545 -6.864 1.00 74.25 N ATOM 924 CA ASN A 61 7.956 9.506 -7.087 1.00 22.43 C ATOM 925 C ASN A 61 7.831 8.306 -6.105 1.00 12.21 C ATOM 926 O ASN A 61 7.804 7.155 -6.532 1.00 61.32 O ATOM 927 CB ASN A 61 9.372 10.147 -6.957 1.00 4.22 C ATOM 928 CG ASN A 61 9.729 11.186 -8.040 1.00 70.54 C ATOM 929 OD1 ASN A 61 8.766 11.942 -8.547 1.00 61.32 O flip ATOM 930 ND2 ASN A 61 10.889 11.322 -8.411 1.00 24.15 N flip ATOM 0 H ASN A 61 7.265 11.364 -6.365 1.00 74.25 H new ATOM 0 HA ASN A 61 7.807 9.112 -8.092 1.00 22.43 H new ATOM 0 HB2 ASN A 61 9.448 10.625 -5.980 1.00 4.22 H new ATOM 0 HB3 ASN A 61 10.116 9.351 -6.981 1.00 4.22 H new ATOM 0 HD21 ASN A 61 11.623 10.735 -8.015 1.00 24.15 H new ATOM 0 HD22 ASN A 61 11.120 12.022 -9.116 1.00 24.15 H new ATOM 937 N ARG A 62 7.752 8.582 -4.790 1.00 51.23 N ATOM 938 CA ARG A 62 7.772 7.520 -3.741 1.00 71.05 C ATOM 939 C ARG A 62 6.420 6.780 -3.620 1.00 10.51 C ATOM 940 O ARG A 62 6.389 5.611 -3.211 1.00 0.24 O ATOM 941 CB ARG A 62 8.223 8.096 -2.359 1.00 53.25 C ATOM 942 CG ARG A 62 9.755 8.307 -2.216 1.00 45.12 C ATOM 943 CD ARG A 62 10.339 9.370 -3.169 1.00 24.52 C ATOM 944 NE ARG A 62 11.814 9.360 -3.167 1.00 42.54 N ATOM 945 CZ ARG A 62 12.606 10.336 -2.764 1.00 54.40 C ATOM 946 NH1 ARG A 62 12.131 11.422 -2.232 1.00 31.15 N ATOM 947 NH2 ARG A 62 13.884 10.195 -2.877 1.00 12.30 N ATOM 0 H ARG A 62 7.673 9.529 -4.419 1.00 51.23 H new ATOM 0 HA ARG A 62 8.508 6.782 -4.060 1.00 71.05 H new ATOM 0 HB2 ARG A 62 7.721 9.050 -2.196 1.00 53.25 H new ATOM 0 HB3 ARG A 62 7.887 7.421 -1.572 1.00 53.25 H new ATOM 0 HG2 ARG A 62 9.976 8.596 -1.188 1.00 45.12 H new ATOM 0 HG3 ARG A 62 10.259 7.358 -2.396 1.00 45.12 H new ATOM 0 HD2 ARG A 62 9.976 9.189 -4.181 1.00 24.52 H new ATOM 0 HD3 ARG A 62 9.982 10.357 -2.874 1.00 24.52 H new ATOM 0 HE ARG A 62 12.268 8.514 -3.512 1.00 42.54 H new ATOM 0 HH11 ARG A 62 11.124 11.535 -2.117 1.00 31.15 H new ATOM 0 HH12 ARG A 62 12.765 12.161 -1.929 1.00 31.15 H new ATOM 0 HH21 ARG A 62 14.269 9.338 -3.273 1.00 12.30 H new ATOM 0 HH22 ARG A 62 14.508 10.941 -2.570 1.00 12.30 H new ATOM 961 N VAL A 63 5.309 7.458 -3.967 1.00 14.11 N ATOM 962 CA VAL A 63 3.977 6.814 -4.016 1.00 12.32 C ATOM 963 C VAL A 63 3.870 5.857 -5.227 1.00 10.04 C ATOM 964 O VAL A 63 3.474 4.711 -5.042 1.00 10.41 O ATOM 965 CB VAL A 63 2.802 7.870 -4.010 1.00 63.25 C ATOM 966 CG1 VAL A 63 1.411 7.230 -4.280 1.00 31.11 C ATOM 967 CG2 VAL A 63 2.786 8.633 -2.668 1.00 50.50 C ATOM 0 H VAL A 63 5.304 8.447 -4.217 1.00 14.11 H new ATOM 0 HA VAL A 63 3.871 6.223 -3.107 1.00 12.32 H new ATOM 0 HB VAL A 63 2.993 8.564 -4.829 1.00 63.25 H new ATOM 0 HG11 VAL A 63 0.645 8.005 -4.263 1.00 31.11 H new ATOM 0 HG12 VAL A 63 1.417 6.746 -5.257 1.00 31.11 H new ATOM 0 HG13 VAL A 63 1.195 6.490 -3.509 1.00 31.11 H new ATOM 0 HG21 VAL A 63 1.973 9.359 -2.672 1.00 50.50 H new ATOM 0 HG22 VAL A 63 2.639 7.928 -1.850 1.00 50.50 H new ATOM 0 HG23 VAL A 63 3.735 9.152 -2.533 1.00 50.50 H new ATOM 977 N ARG A 64 4.271 6.309 -6.450 1.00 3.25 N ATOM 978 CA ARG A 64 4.237 5.437 -7.670 1.00 71.12 C ATOM 979 C ARG A 64 5.182 4.213 -7.507 1.00 71.21 C ATOM 980 O ARG A 64 4.878 3.118 -7.986 1.00 33.54 O ATOM 981 CB ARG A 64 4.591 6.217 -8.982 1.00 22.50 C ATOM 982 CG ARG A 64 6.066 6.666 -9.106 1.00 22.24 C ATOM 983 CD ARG A 64 6.428 7.236 -10.490 1.00 52.35 C ATOM 984 NE ARG A 64 6.367 6.210 -11.550 1.00 53.45 N ATOM 985 CZ ARG A 64 7.226 6.079 -12.542 1.00 63.41 C ATOM 986 NH1 ARG A 64 8.237 6.878 -12.674 1.00 71.02 N ATOM 987 NH2 ARG A 64 7.061 5.138 -13.406 1.00 21.22 N ATOM 0 H ARG A 64 4.616 7.254 -6.620 1.00 3.25 H new ATOM 0 HA ARG A 64 3.209 5.087 -7.767 1.00 71.12 H new ATOM 0 HB2 ARG A 64 4.347 5.586 -9.837 1.00 22.50 H new ATOM 0 HB3 ARG A 64 3.953 7.099 -9.044 1.00 22.50 H new ATOM 0 HG2 ARG A 64 6.271 7.421 -8.347 1.00 22.24 H new ATOM 0 HG3 ARG A 64 6.714 5.816 -8.893 1.00 22.24 H new ATOM 0 HD2 ARG A 64 5.746 8.050 -10.735 1.00 52.35 H new ATOM 0 HD3 ARG A 64 7.431 7.660 -10.455 1.00 52.35 H new ATOM 0 HE ARG A 64 5.594 5.545 -11.512 1.00 53.45 H new ATOM 0 HH11 ARG A 64 8.384 7.631 -12.001 1.00 71.02 H new ATOM 0 HH12 ARG A 64 8.887 6.755 -13.451 1.00 71.02 H new ATOM 0 HH21 ARG A 64 6.270 4.500 -13.320 1.00 21.22 H new ATOM 0 HH22 ARG A 64 7.722 5.031 -14.176 1.00 21.22 H new ATOM 1001 N SER A 65 6.328 4.422 -6.817 1.00 14.41 N ATOM 1002 CA SER A 65 7.293 3.343 -6.487 1.00 4.00 C ATOM 1003 C SER A 65 6.663 2.290 -5.551 1.00 70.30 C ATOM 1004 O SER A 65 6.816 1.089 -5.770 1.00 51.02 O ATOM 1005 CB SER A 65 8.574 3.927 -5.843 1.00 52.54 C ATOM 1006 OG SER A 65 9.267 4.777 -6.745 1.00 15.13 O ATOM 0 H SER A 65 6.610 5.340 -6.474 1.00 14.41 H new ATOM 0 HA SER A 65 7.562 2.851 -7.421 1.00 4.00 H new ATOM 0 HB2 SER A 65 8.309 4.485 -4.945 1.00 52.54 H new ATOM 0 HB3 SER A 65 9.229 3.114 -5.531 1.00 52.54 H new ATOM 0 HG SER A 65 8.848 5.663 -6.747 1.00 15.13 H new ATOM 1012 N ARG A 66 5.940 2.760 -4.516 1.00 74.12 N ATOM 1013 CA ARG A 66 5.275 1.871 -3.532 1.00 21.33 C ATOM 1014 C ARG A 66 4.118 1.074 -4.196 1.00 33.45 C ATOM 1015 O ARG A 66 3.999 -0.134 -3.995 1.00 40.05 O ATOM 1016 CB ARG A 66 4.781 2.701 -2.311 1.00 71.53 C ATOM 1017 CG ARG A 66 4.346 1.859 -1.081 1.00 34.42 C ATOM 1018 CD ARG A 66 4.287 2.686 0.229 1.00 33.25 C ATOM 1019 NE ARG A 66 5.552 3.428 0.473 1.00 14.13 N ATOM 1020 CZ ARG A 66 6.428 3.201 1.439 1.00 14.33 C ATOM 1021 NH1 ARG A 66 6.267 2.249 2.299 1.00 23.44 N ATOM 1022 NH2 ARG A 66 7.488 3.940 1.530 1.00 21.52 N ATOM 0 H ARG A 66 5.799 3.754 -4.336 1.00 74.12 H new ATOM 0 HA ARG A 66 5.999 1.140 -3.171 1.00 21.33 H new ATOM 0 HB2 ARG A 66 5.577 3.379 -2.005 1.00 71.53 H new ATOM 0 HB3 ARG A 66 3.940 3.318 -2.626 1.00 71.53 H new ATOM 0 HG2 ARG A 66 3.365 1.424 -1.274 1.00 34.42 H new ATOM 0 HG3 ARG A 66 5.042 1.031 -0.950 1.00 34.42 H new ATOM 0 HD2 ARG A 66 3.457 3.391 0.177 1.00 33.25 H new ATOM 0 HD3 ARG A 66 4.088 2.021 1.070 1.00 33.25 H new ATOM 0 HE ARG A 66 5.767 4.190 -0.170 1.00 14.13 H new ATOM 0 HH11 ARG A 66 5.446 1.646 2.245 1.00 23.44 H new ATOM 0 HH12 ARG A 66 6.961 2.101 3.032 1.00 23.44 H new ATOM 0 HH21 ARG A 66 7.644 4.692 0.859 1.00 21.52 H new ATOM 0 HH22 ARG A 66 8.166 3.770 2.272 1.00 21.52 H new ATOM 1036 N ILE A 67 3.304 1.782 -5.015 1.00 5.21 N ATOM 1037 CA ILE A 67 2.257 1.180 -5.888 1.00 42.32 C ATOM 1038 C ILE A 67 2.854 0.100 -6.830 1.00 60.23 C ATOM 1039 O ILE A 67 2.218 -0.924 -7.082 1.00 63.03 O ATOM 1040 CB ILE A 67 1.532 2.300 -6.751 1.00 61.41 C ATOM 1041 CG1 ILE A 67 0.769 3.297 -5.824 1.00 53.23 C ATOM 1042 CG2 ILE A 67 0.565 1.709 -7.817 1.00 5.11 C ATOM 1043 CD1 ILE A 67 0.194 4.517 -6.524 1.00 45.33 C ATOM 0 H ILE A 67 3.353 2.798 -5.092 1.00 5.21 H new ATOM 0 HA ILE A 67 1.527 0.702 -5.235 1.00 42.32 H new ATOM 0 HB ILE A 67 2.314 2.833 -7.291 1.00 61.41 H new ATOM 0 HG12 ILE A 67 -0.044 2.762 -5.333 1.00 53.23 H new ATOM 0 HG13 ILE A 67 1.448 3.633 -5.041 1.00 53.23 H new ATOM 0 HG21 ILE A 67 0.099 2.521 -8.375 1.00 5.11 H new ATOM 0 HG22 ILE A 67 1.124 1.072 -8.502 1.00 5.11 H new ATOM 0 HG23 ILE A 67 -0.207 1.120 -7.321 1.00 5.11 H new ATOM 0 HD11 ILE A 67 -0.316 5.147 -5.796 1.00 45.33 H new ATOM 0 HD12 ILE A 67 1.000 5.082 -6.991 1.00 45.33 H new ATOM 0 HD13 ILE A 67 -0.515 4.198 -7.288 1.00 45.33 H new ATOM 1055 N SER A 68 4.084 0.347 -7.330 1.00 12.50 N ATOM 1056 CA SER A 68 4.809 -0.602 -8.211 1.00 22.04 C ATOM 1057 C SER A 68 5.140 -1.923 -7.470 1.00 2.22 C ATOM 1058 O SER A 68 4.921 -3.001 -8.020 1.00 75.05 O ATOM 1059 CB SER A 68 6.097 0.046 -8.781 1.00 72.12 C ATOM 1060 OG SER A 68 6.768 -0.820 -9.691 1.00 61.11 O ATOM 0 H SER A 68 4.602 1.204 -7.137 1.00 12.50 H new ATOM 0 HA SER A 68 4.151 -0.845 -9.045 1.00 22.04 H new ATOM 0 HB2 SER A 68 5.842 0.977 -9.287 1.00 72.12 H new ATOM 0 HB3 SER A 68 6.768 0.302 -7.961 1.00 72.12 H new ATOM 0 HG SER A 68 7.574 -0.377 -10.030 1.00 61.11 H new ATOM 1066 N ASN A 69 5.646 -1.821 -6.216 1.00 54.12 N ATOM 1067 CA ASN A 69 5.923 -3.011 -5.352 1.00 55.01 C ATOM 1068 C ASN A 69 4.620 -3.747 -4.938 1.00 22.42 C ATOM 1069 O ASN A 69 4.631 -4.958 -4.694 1.00 20.30 O ATOM 1070 CB ASN A 69 6.715 -2.607 -4.082 1.00 40.25 C ATOM 1071 CG ASN A 69 8.139 -2.134 -4.377 1.00 10.22 C ATOM 1072 OD1 ASN A 69 9.068 -2.931 -4.459 1.00 63.22 O ATOM 1073 ND2 ASN A 69 8.326 -0.842 -4.522 1.00 14.12 N ATOM 0 H ASN A 69 5.873 -0.930 -5.774 1.00 54.12 H new ATOM 0 HA ASN A 69 6.526 -3.695 -5.949 1.00 55.01 H new ATOM 0 HB2 ASN A 69 6.177 -1.813 -3.565 1.00 40.25 H new ATOM 0 HB3 ASN A 69 6.757 -3.459 -3.403 1.00 40.25 H new ATOM 0 HD21 ASN A 69 9.261 -0.480 -4.708 1.00 14.12 H new ATOM 0 HD22 ASN A 69 7.536 -0.201 -4.449 1.00 14.12 H new ATOM 1080 N LEU A 70 3.506 -2.998 -4.847 1.00 31.12 N ATOM 1081 CA LEU A 70 2.180 -3.572 -4.534 1.00 30.25 C ATOM 1082 C LEU A 70 1.615 -4.379 -5.735 1.00 40.23 C ATOM 1083 O LEU A 70 1.204 -5.519 -5.569 1.00 15.12 O ATOM 1084 CB LEU A 70 1.198 -2.455 -4.102 1.00 72.40 C ATOM 1085 CG LEU A 70 1.523 -1.733 -2.749 1.00 13.53 C ATOM 1086 CD1 LEU A 70 0.613 -0.500 -2.529 1.00 22.02 C ATOM 1087 CD2 LEU A 70 1.429 -2.710 -1.551 1.00 25.44 C ATOM 0 H LEU A 70 3.496 -1.988 -4.986 1.00 31.12 H new ATOM 0 HA LEU A 70 2.299 -4.267 -3.703 1.00 30.25 H new ATOM 0 HB2 LEU A 70 1.164 -1.704 -4.892 1.00 72.40 H new ATOM 0 HB3 LEU A 70 0.199 -2.886 -4.029 1.00 72.40 H new ATOM 0 HG LEU A 70 2.552 -1.378 -2.812 1.00 13.53 H new ATOM 0 HD11 LEU A 70 0.867 -0.025 -1.581 1.00 22.02 H new ATOM 0 HD12 LEU A 70 0.760 0.211 -3.342 1.00 22.02 H new ATOM 0 HD13 LEU A 70 -0.430 -0.817 -2.508 1.00 22.02 H new ATOM 0 HD21 LEU A 70 1.660 -2.178 -0.628 1.00 25.44 H new ATOM 0 HD22 LEU A 70 0.420 -3.117 -1.492 1.00 25.44 H new ATOM 0 HD23 LEU A 70 2.141 -3.524 -1.688 1.00 25.44 H new ATOM 1099 N LYS A 71 1.637 -3.789 -6.952 1.00 23.53 N ATOM 1100 CA LYS A 71 1.145 -4.469 -8.192 1.00 74.04 C ATOM 1101 C LYS A 71 2.218 -5.417 -8.805 1.00 50.21 C ATOM 1102 O LYS A 71 2.009 -5.991 -9.883 1.00 12.01 O ATOM 1103 CB LYS A 71 0.682 -3.427 -9.259 1.00 3.21 C ATOM 1104 CG LYS A 71 1.815 -2.575 -9.893 1.00 52.05 C ATOM 1105 CD LYS A 71 1.327 -1.702 -11.080 1.00 11.32 C ATOM 1106 CE LYS A 71 0.212 -0.720 -10.686 1.00 21.33 C ATOM 1107 NZ LYS A 71 -0.240 0.112 -11.834 1.00 64.04 N ATOM 0 H LYS A 71 1.988 -2.845 -7.111 1.00 23.53 H new ATOM 0 HA LYS A 71 0.290 -5.077 -7.897 1.00 74.04 H new ATOM 0 HB2 LYS A 71 0.159 -3.956 -10.056 1.00 3.21 H new ATOM 0 HB3 LYS A 71 -0.040 -2.754 -8.796 1.00 3.21 H new ATOM 0 HG2 LYS A 71 2.248 -1.930 -9.129 1.00 52.05 H new ATOM 0 HG3 LYS A 71 2.609 -3.237 -10.238 1.00 52.05 H new ATOM 0 HD2 LYS A 71 2.171 -1.142 -11.483 1.00 11.32 H new ATOM 0 HD3 LYS A 71 0.966 -2.352 -11.877 1.00 11.32 H new ATOM 0 HE2 LYS A 71 -0.636 -1.277 -10.288 1.00 21.33 H new ATOM 0 HE3 LYS A 71 0.569 -0.070 -9.887 1.00 21.33 H new ATOM 0 HZ1 LYS A 71 -0.992 0.758 -11.520 1.00 64.04 H new ATOM 0 HZ2 LYS A 71 0.562 0.665 -12.199 1.00 64.04 H new ATOM 0 HZ3 LYS A 71 -0.606 -0.505 -12.587 1.00 64.04 H new ATOM 1121 N ASP A 72 3.363 -5.560 -8.118 1.00 54.05 N ATOM 1122 CA ASP A 72 4.464 -6.441 -8.544 1.00 73.52 C ATOM 1123 C ASP A 72 4.084 -7.942 -8.398 1.00 40.44 C ATOM 1124 O ASP A 72 3.621 -8.382 -7.339 1.00 72.51 O ATOM 1125 CB ASP A 72 5.730 -6.097 -7.720 1.00 50.45 C ATOM 1126 CG ASP A 72 6.969 -6.908 -8.111 1.00 5.13 C ATOM 1127 OD1 ASP A 72 7.312 -6.949 -9.315 1.00 72.43 O ATOM 1128 OD2 ASP A 72 7.591 -7.516 -7.227 1.00 21.20 O ATOM 0 H ASP A 72 3.552 -5.065 -7.246 1.00 54.05 H new ATOM 0 HA ASP A 72 4.666 -6.273 -9.602 1.00 73.52 H new ATOM 0 HB2 ASP A 72 5.951 -5.036 -7.839 1.00 50.45 H new ATOM 0 HB3 ASP A 72 5.519 -6.262 -6.663 1.00 50.45 H new ATOM 1133 N ALA A 73 4.278 -8.711 -9.489 1.00 15.21 N ATOM 1134 CA ALA A 73 3.995 -10.165 -9.522 1.00 53.32 C ATOM 1135 C ALA A 73 5.047 -10.979 -8.734 1.00 34.31 C ATOM 1136 O ALA A 73 4.762 -12.097 -8.285 1.00 2.43 O ATOM 1137 CB ALA A 73 3.914 -10.662 -10.975 1.00 25.31 C ATOM 0 H ALA A 73 4.635 -8.345 -10.372 1.00 15.21 H new ATOM 0 HA ALA A 73 3.032 -10.320 -9.036 1.00 53.32 H new ATOM 0 HB1 ALA A 73 3.706 -11.732 -10.983 1.00 25.31 H new ATOM 0 HB2 ALA A 73 3.116 -10.133 -11.496 1.00 25.31 H new ATOM 0 HB3 ALA A 73 4.863 -10.474 -11.477 1.00 25.31 H new ATOM 1143 N LYS A 74 6.265 -10.416 -8.578 1.00 61.43 N ATOM 1144 CA LYS A 74 7.357 -11.079 -7.837 1.00 33.32 C ATOM 1145 C LYS A 74 7.106 -11.016 -6.306 1.00 40.23 C ATOM 1146 O LYS A 74 7.450 -11.953 -5.576 1.00 72.13 O ATOM 1147 CB LYS A 74 8.731 -10.457 -8.206 1.00 53.14 C ATOM 1148 CG LYS A 74 9.952 -11.241 -7.672 1.00 55.35 C ATOM 1149 CD LYS A 74 10.068 -12.656 -8.299 1.00 60.25 C ATOM 1150 CE LYS A 74 11.147 -13.518 -7.632 1.00 13.03 C ATOM 1151 NZ LYS A 74 12.490 -12.888 -7.695 1.00 40.22 N ATOM 0 H LYS A 74 6.516 -9.503 -8.957 1.00 61.43 H new ATOM 0 HA LYS A 74 7.376 -12.129 -8.128 1.00 33.32 H new ATOM 0 HB2 LYS A 74 8.805 -10.388 -9.291 1.00 53.14 H new ATOM 0 HB3 LYS A 74 8.771 -9.439 -7.819 1.00 53.14 H new ATOM 0 HG2 LYS A 74 10.862 -10.678 -7.882 1.00 55.35 H new ATOM 0 HG3 LYS A 74 9.876 -11.332 -6.588 1.00 55.35 H new ATOM 0 HD2 LYS A 74 9.106 -13.162 -8.221 1.00 60.25 H new ATOM 0 HD3 LYS A 74 10.292 -12.560 -9.361 1.00 60.25 H new ATOM 0 HE2 LYS A 74 10.878 -13.691 -6.590 1.00 13.03 H new ATOM 0 HE3 LYS A 74 11.182 -14.493 -8.118 1.00 13.03 H new ATOM 0 HZ1 LYS A 74 13.189 -13.515 -7.247 1.00 40.22 H new ATOM 0 HZ2 LYS A 74 12.753 -12.730 -8.689 1.00 40.22 H new ATOM 0 HZ3 LYS A 74 12.470 -11.977 -7.194 1.00 40.22 H new ATOM 1165 N ASN A 75 6.484 -9.910 -5.830 1.00 74.14 N ATOM 1166 CA ASN A 75 6.029 -9.769 -4.418 1.00 13.24 C ATOM 1167 C ASN A 75 4.471 -9.699 -4.331 1.00 53.10 C ATOM 1168 O ASN A 75 3.894 -8.600 -4.271 1.00 54.12 O ATOM 1169 CB ASN A 75 6.658 -8.507 -3.744 1.00 25.41 C ATOM 1170 CG ASN A 75 8.173 -8.590 -3.557 1.00 75.43 C ATOM 1171 OD1 ASN A 75 8.904 -9.116 -4.389 1.00 30.43 O ATOM 1172 ND2 ASN A 75 8.662 -8.080 -2.445 1.00 13.03 N ATOM 0 H ASN A 75 6.283 -9.093 -6.407 1.00 74.14 H new ATOM 0 HA ASN A 75 6.367 -10.654 -3.880 1.00 13.24 H new ATOM 0 HB2 ASN A 75 6.425 -7.631 -4.349 1.00 25.41 H new ATOM 0 HB3 ASN A 75 6.190 -8.356 -2.771 1.00 25.41 H new ATOM 0 HD21 ASN A 75 9.665 -8.119 -2.264 1.00 13.03 H new ATOM 0 HD22 ASN A 75 8.037 -7.646 -1.765 1.00 13.03 H new ATOM 1179 N PRO A 76 3.742 -10.870 -4.375 1.00 41.13 N ATOM 1180 CA PRO A 76 2.303 -10.914 -4.029 1.00 52.12 C ATOM 1181 C PRO A 76 2.076 -10.953 -2.497 1.00 12.43 C ATOM 1182 O PRO A 76 1.045 -10.495 -2.010 1.00 21.51 O ATOM 1183 CB PRO A 76 1.829 -12.222 -4.712 1.00 41.24 C ATOM 1184 CG PRO A 76 3.026 -13.120 -4.642 1.00 70.31 C ATOM 1185 CD PRO A 76 4.233 -12.211 -4.813 1.00 74.22 C ATOM 0 HA PRO A 76 1.756 -10.031 -4.360 1.00 52.12 H new ATOM 0 HB2 PRO A 76 0.974 -12.656 -4.194 1.00 41.24 H new ATOM 0 HB3 PRO A 76 1.522 -12.046 -5.743 1.00 41.24 H new ATOM 0 HG2 PRO A 76 3.065 -13.647 -3.689 1.00 70.31 H new ATOM 0 HG3 PRO A 76 2.993 -13.878 -5.424 1.00 70.31 H new ATOM 0 HD2 PRO A 76 5.074 -12.546 -4.206 1.00 74.22 H new ATOM 0 HD3 PRO A 76 4.575 -12.192 -5.848 1.00 74.22 H new ATOM 1193 N ASP A 77 3.083 -11.471 -1.757 1.00 43.40 N ATOM 1194 CA ASP A 77 3.010 -11.703 -0.300 1.00 54.30 C ATOM 1195 C ASP A 77 2.969 -10.378 0.488 1.00 2.43 C ATOM 1196 O ASP A 77 2.255 -10.270 1.487 1.00 33.23 O ATOM 1197 CB ASP A 77 4.216 -12.561 0.149 1.00 13.31 C ATOM 1198 CG ASP A 77 4.373 -13.833 -0.701 1.00 13.04 C ATOM 1199 OD1 ASP A 77 3.743 -14.864 -0.375 1.00 50.33 O ATOM 1200 OD2 ASP A 77 5.095 -13.794 -1.725 1.00 23.24 O ATOM 0 H ASP A 77 3.979 -11.742 -2.162 1.00 43.40 H new ATOM 0 HA ASP A 77 2.083 -12.236 -0.086 1.00 54.30 H new ATOM 0 HB2 ASP A 77 5.127 -11.967 0.082 1.00 13.31 H new ATOM 0 HB3 ASP A 77 4.092 -12.839 1.196 1.00 13.31 H new ATOM 1205 N LEU A 78 3.734 -9.375 0.006 1.00 23.54 N ATOM 1206 CA LEU A 78 3.779 -8.019 0.608 1.00 73.04 C ATOM 1207 C LEU A 78 2.361 -7.396 0.746 1.00 74.41 C ATOM 1208 O LEU A 78 1.930 -7.053 1.853 1.00 42.43 O ATOM 1209 CB LEU A 78 4.669 -7.084 -0.263 1.00 2.20 C ATOM 1210 CG LEU A 78 4.744 -5.590 0.201 1.00 61.35 C ATOM 1211 CD1 LEU A 78 5.447 -5.463 1.565 1.00 63.05 C ATOM 1212 CD2 LEU A 78 5.414 -4.699 -0.867 1.00 41.24 C ATOM 0 H LEU A 78 4.338 -9.479 -0.810 1.00 23.54 H new ATOM 0 HA LEU A 78 4.202 -8.119 1.608 1.00 73.04 H new ATOM 0 HB2 LEU A 78 5.680 -7.490 -0.282 1.00 2.20 H new ATOM 0 HB3 LEU A 78 4.296 -7.109 -1.287 1.00 2.20 H new ATOM 0 HG LEU A 78 3.722 -5.233 0.325 1.00 61.35 H new ATOM 0 HD11 LEU A 78 5.483 -4.414 1.859 1.00 63.05 H new ATOM 0 HD12 LEU A 78 4.894 -6.031 2.313 1.00 63.05 H new ATOM 0 HD13 LEU A 78 6.462 -5.854 1.489 1.00 63.05 H new ATOM 0 HD21 LEU A 78 5.449 -3.669 -0.512 1.00 41.24 H new ATOM 0 HD22 LEU A 78 6.428 -5.054 -1.053 1.00 41.24 H new ATOM 0 HD23 LEU A 78 4.839 -4.744 -1.792 1.00 41.24 H new ATOM 1224 N ARG A 79 1.631 -7.297 -0.390 1.00 71.21 N ATOM 1225 CA ARG A 79 0.258 -6.736 -0.414 1.00 54.24 C ATOM 1226 C ARG A 79 -0.755 -7.701 0.242 1.00 63.15 C ATOM 1227 O ARG A 79 -1.719 -7.253 0.856 1.00 63.31 O ATOM 1228 CB ARG A 79 -0.192 -6.392 -1.865 1.00 43.01 C ATOM 1229 CG ARG A 79 -0.298 -7.609 -2.810 1.00 72.30 C ATOM 1230 CD ARG A 79 -0.954 -7.278 -4.160 1.00 42.13 C ATOM 1231 NE ARG A 79 -1.027 -8.455 -5.032 1.00 34.23 N ATOM 1232 CZ ARG A 79 -0.105 -8.852 -5.889 1.00 30.43 C ATOM 1233 NH1 ARG A 79 1.026 -8.228 -6.020 1.00 64.23 N ATOM 1234 NH2 ARG A 79 -0.340 -9.894 -6.604 1.00 24.25 N ATOM 0 H ARG A 79 1.970 -7.599 -1.303 1.00 71.21 H new ATOM 0 HA ARG A 79 0.280 -5.813 0.165 1.00 54.24 H new ATOM 0 HB2 ARG A 79 -1.162 -5.896 -1.823 1.00 43.01 H new ATOM 0 HB3 ARG A 79 0.513 -5.678 -2.291 1.00 43.01 H new ATOM 0 HG2 ARG A 79 0.700 -8.010 -2.988 1.00 72.30 H new ATOM 0 HG3 ARG A 79 -0.873 -8.393 -2.318 1.00 72.30 H new ATOM 0 HD2 ARG A 79 -1.958 -6.888 -3.991 1.00 42.13 H new ATOM 0 HD3 ARG A 79 -0.386 -6.492 -4.657 1.00 42.13 H new ATOM 0 HE ARG A 79 -1.873 -9.022 -4.970 1.00 34.23 H new ATOM 0 HH11 ARG A 79 1.223 -7.405 -5.451 1.00 64.23 H new ATOM 0 HH12 ARG A 79 1.717 -8.561 -6.692 1.00 64.23 H new ATOM 0 HH21 ARG A 79 -1.223 -10.394 -6.502 1.00 24.25 H new ATOM 0 HH22 ARG A 79 0.357 -10.221 -7.274 1.00 24.25 H new ATOM 1248 N ARG A 80 -0.509 -9.029 0.109 1.00 32.30 N ATOM 1249 CA ARG A 80 -1.380 -10.086 0.681 1.00 71.42 C ATOM 1250 C ARG A 80 -1.510 -9.932 2.211 1.00 61.43 C ATOM 1251 O ARG A 80 -2.606 -10.013 2.751 1.00 30.23 O ATOM 1252 CB ARG A 80 -0.819 -11.497 0.339 1.00 12.13 C ATOM 1253 CG ARG A 80 -1.658 -12.689 0.863 1.00 0.24 C ATOM 1254 CD ARG A 80 -3.018 -12.839 0.152 1.00 44.04 C ATOM 1255 NE ARG A 80 -3.913 -13.772 0.866 1.00 4.13 N ATOM 1256 CZ ARG A 80 -4.698 -14.676 0.313 1.00 63.14 C ATOM 1257 NH1 ARG A 80 -4.655 -14.933 -0.958 1.00 65.34 N ATOM 1258 NH2 ARG A 80 -5.512 -15.343 1.055 1.00 32.04 N ATOM 0 H ARG A 80 0.297 -9.396 -0.397 1.00 32.30 H new ATOM 0 HA ARG A 80 -2.370 -9.977 0.238 1.00 71.42 H new ATOM 0 HB2 ARG A 80 -0.733 -11.583 -0.744 1.00 12.13 H new ATOM 0 HB3 ARG A 80 0.189 -11.577 0.746 1.00 12.13 H new ATOM 0 HG2 ARG A 80 -1.087 -13.609 0.737 1.00 0.24 H new ATOM 0 HG3 ARG A 80 -1.827 -12.563 1.932 1.00 0.24 H new ATOM 0 HD2 ARG A 80 -3.497 -11.863 0.076 1.00 44.04 H new ATOM 0 HD3 ARG A 80 -2.858 -13.196 -0.865 1.00 44.04 H new ATOM 0 HE ARG A 80 -3.925 -13.711 1.884 1.00 4.13 H new ATOM 0 HH11 ARG A 80 -4.001 -14.430 -1.558 1.00 65.34 H new ATOM 0 HH12 ARG A 80 -5.275 -15.638 -1.357 1.00 65.34 H new ATOM 0 HH21 ARG A 80 -5.545 -15.170 2.060 1.00 32.04 H new ATOM 0 HH22 ARG A 80 -6.124 -16.045 0.638 1.00 32.04 H new ATOM 1272 N ASN A 81 -0.366 -9.685 2.878 1.00 13.21 N ATOM 1273 CA ASN A 81 -0.294 -9.514 4.346 1.00 63.13 C ATOM 1274 C ASN A 81 -1.044 -8.242 4.818 1.00 63.34 C ATOM 1275 O ASN A 81 -1.692 -8.261 5.864 1.00 42.41 O ATOM 1276 CB ASN A 81 1.184 -9.469 4.806 1.00 13.12 C ATOM 1277 CG ASN A 81 1.954 -10.760 4.521 1.00 63.23 C ATOM 1278 OD1 ASN A 81 1.385 -11.848 4.508 1.00 24.23 O ATOM 1279 ND2 ASN A 81 3.249 -10.655 4.292 1.00 72.20 N ATOM 0 H ASN A 81 0.538 -9.598 2.414 1.00 13.21 H new ATOM 0 HA ASN A 81 -0.787 -10.372 4.803 1.00 63.13 H new ATOM 0 HB2 ASN A 81 1.686 -8.639 4.308 1.00 13.12 H new ATOM 0 HB3 ASN A 81 1.217 -9.265 5.876 1.00 13.12 H new ATOM 0 HD21 ASN A 81 3.802 -11.490 4.098 1.00 72.20 H new ATOM 0 HD22 ASN A 81 3.697 -9.739 4.309 1.00 72.20 H new ATOM 1286 N VAL A 82 -0.947 -7.148 4.038 1.00 12.53 N ATOM 1287 CA VAL A 82 -1.667 -5.873 4.331 1.00 5.23 C ATOM 1288 C VAL A 82 -3.207 -6.073 4.249 1.00 21.53 C ATOM 1289 O VAL A 82 -3.962 -5.661 5.138 1.00 73.21 O ATOM 1290 CB VAL A 82 -1.235 -4.723 3.337 1.00 63.31 C ATOM 1291 CG1 VAL A 82 -1.883 -3.363 3.706 1.00 0.41 C ATOM 1292 CG2 VAL A 82 0.303 -4.601 3.261 1.00 62.44 C ATOM 0 H VAL A 82 -0.376 -7.113 3.193 1.00 12.53 H new ATOM 0 HA VAL A 82 -1.396 -5.579 5.345 1.00 5.23 H new ATOM 0 HB VAL A 82 -1.603 -4.999 2.349 1.00 63.31 H new ATOM 0 HG11 VAL A 82 -1.559 -2.601 2.997 1.00 0.41 H new ATOM 0 HG12 VAL A 82 -2.968 -3.455 3.669 1.00 0.41 H new ATOM 0 HG13 VAL A 82 -1.578 -3.076 4.712 1.00 0.41 H new ATOM 0 HG21 VAL A 82 0.571 -3.802 2.570 1.00 62.44 H new ATOM 0 HG22 VAL A 82 0.699 -4.373 4.250 1.00 62.44 H new ATOM 0 HG23 VAL A 82 0.726 -5.542 2.909 1.00 62.44 H new ATOM 1302 N LEU A 83 -3.634 -6.742 3.169 1.00 24.13 N ATOM 1303 CA LEU A 83 -5.053 -7.056 2.885 1.00 30.33 C ATOM 1304 C LEU A 83 -5.609 -8.158 3.831 1.00 63.44 C ATOM 1305 O LEU A 83 -6.817 -8.235 4.064 1.00 0.13 O ATOM 1306 CB LEU A 83 -5.174 -7.478 1.395 1.00 74.13 C ATOM 1307 CG LEU A 83 -4.775 -6.378 0.352 1.00 24.34 C ATOM 1308 CD1 LEU A 83 -4.630 -6.954 -1.076 1.00 53.22 C ATOM 1309 CD2 LEU A 83 -5.776 -5.203 0.378 1.00 0.43 C ATOM 0 H LEU A 83 -2.997 -7.089 2.452 1.00 24.13 H new ATOM 0 HA LEU A 83 -5.657 -6.168 3.069 1.00 30.33 H new ATOM 0 HB2 LEU A 83 -4.548 -8.355 1.231 1.00 74.13 H new ATOM 0 HB3 LEU A 83 -6.203 -7.781 1.203 1.00 74.13 H new ATOM 0 HG LEU A 83 -3.796 -5.999 0.644 1.00 24.34 H new ATOM 0 HD11 LEU A 83 -4.353 -6.155 -1.764 1.00 53.22 H new ATOM 0 HD12 LEU A 83 -3.857 -7.722 -1.082 1.00 53.22 H new ATOM 0 HD13 LEU A 83 -5.578 -7.391 -1.390 1.00 53.22 H new ATOM 0 HD21 LEU A 83 -5.476 -4.454 -0.355 1.00 0.43 H new ATOM 0 HD22 LEU A 83 -6.773 -5.569 0.135 1.00 0.43 H new ATOM 0 HD23 LEU A 83 -5.786 -4.755 1.372 1.00 0.43 H new ATOM 1321 N CYS A 84 -4.705 -9.001 4.366 1.00 41.52 N ATOM 1322 CA CYS A 84 -5.042 -10.063 5.356 1.00 22.52 C ATOM 1323 C CYS A 84 -5.005 -9.522 6.804 1.00 22.00 C ATOM 1324 O CYS A 84 -5.494 -10.174 7.735 1.00 44.51 O ATOM 1325 CB CYS A 84 -4.066 -11.253 5.211 1.00 11.22 C ATOM 1326 SG CYS A 84 -4.403 -12.666 6.282 1.00 61.42 S ATOM 0 H CYS A 84 -3.714 -8.971 4.128 1.00 41.52 H new ATOM 0 HA CYS A 84 -6.058 -10.400 5.150 1.00 22.52 H new ATOM 0 HB2 CYS A 84 -4.084 -11.592 4.175 1.00 11.22 H new ATOM 0 HB3 CYS A 84 -3.055 -10.899 5.413 1.00 11.22 H new ATOM 0 HG CYS A 84 -4.946 -12.252 7.388 1.00 61.42 H new ATOM 1332 N GLY A 85 -4.414 -8.323 6.983 1.00 51.23 N ATOM 1333 CA GLY A 85 -4.310 -7.667 8.296 1.00 72.31 C ATOM 1334 C GLY A 85 -3.035 -8.017 9.078 1.00 55.12 C ATOM 1335 O GLY A 85 -2.817 -7.473 10.162 1.00 74.21 O ATOM 0 H GLY A 85 -3.998 -7.786 6.222 1.00 51.23 H new ATOM 0 HA2 GLY A 85 -4.350 -6.587 8.154 1.00 72.31 H new ATOM 0 HA3 GLY A 85 -5.177 -7.942 8.896 1.00 72.31 H new ATOM 1339 N ALA A 86 -2.203 -8.936 8.533 1.00 72.03 N ATOM 1340 CA ALA A 86 -0.910 -9.341 9.146 1.00 4.23 C ATOM 1341 C ALA A 86 0.068 -8.140 9.249 1.00 71.11 C ATOM 1342 O ALA A 86 0.689 -7.914 10.295 1.00 65.31 O ATOM 1343 CB ALA A 86 -0.285 -10.492 8.342 1.00 45.15 C ATOM 0 H ALA A 86 -2.406 -9.418 7.658 1.00 72.03 H new ATOM 0 HA ALA A 86 -1.105 -9.688 10.161 1.00 4.23 H new ATOM 0 HB1 ALA A 86 0.662 -10.782 8.798 1.00 45.15 H new ATOM 0 HB2 ALA A 86 -0.964 -11.345 8.340 1.00 45.15 H new ATOM 0 HB3 ALA A 86 -0.109 -10.166 7.317 1.00 45.15 H new ATOM 1349 N ILE A 87 0.214 -7.399 8.136 1.00 32.22 N ATOM 1350 CA ILE A 87 0.844 -6.058 8.134 1.00 33.24 C ATOM 1351 C ILE A 87 -0.250 -4.987 8.393 1.00 13.14 C ATOM 1352 O ILE A 87 -1.303 -5.002 7.742 1.00 30.00 O ATOM 1353 CB ILE A 87 1.595 -5.751 6.777 1.00 14.41 C ATOM 1354 CG1 ILE A 87 2.798 -6.730 6.559 1.00 12.21 C ATOM 1355 CG2 ILE A 87 2.077 -4.279 6.712 1.00 31.01 C ATOM 1356 CD1 ILE A 87 3.551 -6.536 5.245 1.00 23.13 C ATOM 0 H ILE A 87 -0.098 -7.707 7.215 1.00 32.22 H new ATOM 0 HA ILE A 87 1.594 -6.034 8.925 1.00 33.24 H new ATOM 0 HB ILE A 87 0.877 -5.906 5.972 1.00 14.41 H new ATOM 0 HG12 ILE A 87 3.500 -6.611 7.385 1.00 12.21 H new ATOM 0 HG13 ILE A 87 2.427 -7.754 6.601 1.00 12.21 H new ATOM 0 HG21 ILE A 87 2.589 -4.105 5.765 1.00 31.01 H new ATOM 0 HG22 ILE A 87 1.219 -3.611 6.789 1.00 31.01 H new ATOM 0 HG23 ILE A 87 2.763 -4.084 7.536 1.00 31.01 H new ATOM 0 HD11 ILE A 87 4.366 -7.257 5.183 1.00 23.13 H new ATOM 0 HD12 ILE A 87 2.868 -6.686 4.409 1.00 23.13 H new ATOM 0 HD13 ILE A 87 3.957 -5.525 5.204 1.00 23.13 H new ATOM 1368 N THR A 88 0.012 -4.066 9.343 1.00 41.34 N ATOM 1369 CA THR A 88 -0.946 -2.993 9.718 1.00 42.51 C ATOM 1370 C THR A 88 -0.892 -1.809 8.706 1.00 71.11 C ATOM 1371 O THR A 88 0.137 -1.621 8.038 1.00 25.12 O ATOM 1372 CB THR A 88 -0.662 -2.452 11.165 1.00 32.12 C ATOM 1373 OG1 THR A 88 0.544 -1.666 11.175 1.00 14.22 O ATOM 1374 CG2 THR A 88 -0.540 -3.597 12.193 1.00 42.42 C ATOM 0 H THR A 88 0.884 -4.040 9.871 1.00 41.34 H new ATOM 0 HA THR A 88 -1.942 -3.436 9.695 1.00 42.51 H new ATOM 0 HB THR A 88 -1.510 -1.830 11.451 1.00 32.12 H new ATOM 0 HG1 THR A 88 0.710 -1.333 12.082 1.00 14.22 H new ATOM 0 HG21 THR A 88 -0.344 -3.180 13.181 1.00 42.42 H new ATOM 0 HG22 THR A 88 -1.470 -4.165 12.217 1.00 42.42 H new ATOM 0 HG23 THR A 88 0.280 -4.256 11.908 1.00 42.42 H new ATOM 1382 N PRO A 89 -2.010 -1.006 8.561 1.00 13.52 N ATOM 1383 CA PRO A 89 -2.061 0.189 7.666 1.00 21.20 C ATOM 1384 C PRO A 89 -0.855 1.163 7.787 1.00 22.44 C ATOM 1385 O PRO A 89 -0.381 1.700 6.776 1.00 41.12 O ATOM 1386 CB PRO A 89 -3.375 0.888 8.096 1.00 1.12 C ATOM 1387 CG PRO A 89 -4.265 -0.239 8.518 1.00 12.23 C ATOM 1388 CD PRO A 89 -3.345 -1.237 9.200 1.00 13.21 C ATOM 0 HA PRO A 89 -2.019 -0.115 6.620 1.00 21.20 H new ATOM 0 HB2 PRO A 89 -3.205 1.589 8.913 1.00 1.12 H new ATOM 0 HB3 PRO A 89 -3.812 1.456 7.275 1.00 1.12 H new ATOM 0 HG2 PRO A 89 -5.044 0.107 9.197 1.00 12.23 H new ATOM 0 HG3 PRO A 89 -4.766 -0.688 7.660 1.00 12.23 H new ATOM 0 HD2 PRO A 89 -3.305 -1.070 10.276 1.00 13.21 H new ATOM 0 HD3 PRO A 89 -3.687 -2.261 9.049 1.00 13.21 H new ATOM 1396 N GLN A 90 -0.380 1.397 9.025 1.00 50.24 N ATOM 1397 CA GLN A 90 0.788 2.269 9.267 1.00 51.44 C ATOM 1398 C GLN A 90 2.126 1.567 8.932 1.00 23.05 C ATOM 1399 O GLN A 90 3.013 2.193 8.353 1.00 13.23 O ATOM 1400 CB GLN A 90 0.802 2.819 10.721 1.00 14.04 C ATOM 1401 CG GLN A 90 0.923 1.766 11.853 1.00 21.34 C ATOM 1402 CD GLN A 90 1.202 2.381 13.240 1.00 65.52 C ATOM 1403 OE1 GLN A 90 1.946 3.482 13.281 1.00 21.21 O flip ATOM 1404 NE2 GLN A 90 0.787 1.846 14.266 1.00 63.41 N flip ATOM 0 H GLN A 90 -0.785 0.996 9.871 1.00 50.24 H new ATOM 0 HA GLN A 90 0.686 3.115 8.587 1.00 51.44 H new ATOM 0 HB2 GLN A 90 1.633 3.518 10.814 1.00 14.04 H new ATOM 0 HB3 GLN A 90 -0.114 3.389 10.880 1.00 14.04 H new ATOM 0 HG2 GLN A 90 0.000 1.188 11.900 1.00 21.34 H new ATOM 0 HG3 GLN A 90 1.724 1.069 11.606 1.00 21.34 H new ATOM 0 HE21 GLN A 90 0.218 1.002 14.207 1.00 63.41 H new ATOM 0 HE22 GLN A 90 1.012 2.246 15.177 1.00 63.41 H new ATOM 1413 N GLN A 91 2.240 0.261 9.270 1.00 51.41 N ATOM 1414 CA GLN A 91 3.494 -0.524 9.115 1.00 31.44 C ATOM 1415 C GLN A 91 4.007 -0.521 7.648 1.00 41.42 C ATOM 1416 O GLN A 91 5.164 -0.189 7.399 1.00 4.24 O ATOM 1417 CB GLN A 91 3.289 -1.977 9.631 1.00 52.41 C ATOM 1418 CG GLN A 91 4.498 -2.921 9.444 1.00 13.31 C ATOM 1419 CD GLN A 91 4.284 -4.332 10.008 1.00 1.02 C ATOM 1420 OE1 GLN A 91 3.163 -4.824 10.104 1.00 71.52 O ATOM 1421 NE2 GLN A 91 5.359 -5.003 10.369 1.00 23.21 N ATOM 0 H GLN A 91 1.467 -0.280 9.658 1.00 51.41 H new ATOM 0 HA GLN A 91 4.262 -0.042 9.720 1.00 31.44 H new ATOM 0 HB2 GLN A 91 3.041 -1.937 10.692 1.00 52.41 H new ATOM 0 HB3 GLN A 91 2.429 -2.409 9.119 1.00 52.41 H new ATOM 0 HG2 GLN A 91 4.725 -2.997 8.381 1.00 13.31 H new ATOM 0 HG3 GLN A 91 5.370 -2.477 9.925 1.00 13.31 H new ATOM 0 HE21 GLN A 91 6.281 -4.575 10.281 1.00 23.21 H new ATOM 0 HE22 GLN A 91 5.269 -5.950 10.737 1.00 23.21 H new ATOM 1430 N ILE A 92 3.120 -0.864 6.699 1.00 70.03 N ATOM 1431 CA ILE A 92 3.439 -0.870 5.243 1.00 22.30 C ATOM 1432 C ILE A 92 3.826 0.546 4.712 1.00 54.53 C ATOM 1433 O ILE A 92 4.745 0.680 3.900 1.00 65.13 O ATOM 1434 CB ILE A 92 2.227 -1.453 4.414 1.00 53.51 C ATOM 1435 CG1 ILE A 92 2.484 -1.437 2.865 1.00 11.23 C ATOM 1436 CG2 ILE A 92 0.908 -0.730 4.761 1.00 1.24 C ATOM 1437 CD1 ILE A 92 3.631 -2.319 2.388 1.00 1.43 C ATOM 0 H ILE A 92 2.162 -1.146 6.908 1.00 70.03 H new ATOM 0 HA ILE A 92 4.309 -1.513 5.110 1.00 22.30 H new ATOM 0 HB ILE A 92 2.133 -2.499 4.706 1.00 53.51 H new ATOM 0 HG12 ILE A 92 1.571 -1.750 2.358 1.00 11.23 H new ATOM 0 HG13 ILE A 92 2.684 -0.411 2.557 1.00 11.23 H new ATOM 0 HG21 ILE A 92 0.094 -1.155 4.173 1.00 1.24 H new ATOM 0 HG22 ILE A 92 0.693 -0.855 5.822 1.00 1.24 H new ATOM 0 HG23 ILE A 92 1.004 0.332 4.533 1.00 1.24 H new ATOM 0 HD11 ILE A 92 3.726 -2.238 1.305 1.00 1.43 H new ATOM 0 HD12 ILE A 92 4.559 -1.995 2.859 1.00 1.43 H new ATOM 0 HD13 ILE A 92 3.429 -3.356 2.658 1.00 1.43 H new ATOM 1449 N ALA A 93 3.144 1.585 5.219 1.00 23.20 N ATOM 1450 CA ALA A 93 3.289 2.976 4.729 1.00 42.20 C ATOM 1451 C ALA A 93 4.616 3.643 5.184 1.00 31.53 C ATOM 1452 O ALA A 93 5.252 4.370 4.415 1.00 21.31 O ATOM 1453 CB ALA A 93 2.087 3.796 5.196 1.00 71.30 C ATOM 0 H ALA A 93 2.474 1.490 5.982 1.00 23.20 H new ATOM 0 HA ALA A 93 3.324 2.944 3.640 1.00 42.20 H new ATOM 0 HB1 ALA A 93 2.186 4.821 4.840 1.00 71.30 H new ATOM 0 HB2 ALA A 93 1.172 3.359 4.797 1.00 71.30 H new ATOM 0 HB3 ALA A 93 2.045 3.793 6.285 1.00 71.30 H new ATOM 1459 N VAL A 94 5.013 3.383 6.441 1.00 1.00 N ATOM 1460 CA VAL A 94 6.242 3.956 7.053 1.00 74.13 C ATOM 1461 C VAL A 94 7.509 3.117 6.714 1.00 51.10 C ATOM 1462 O VAL A 94 8.637 3.535 7.004 1.00 71.50 O ATOM 1463 CB VAL A 94 6.086 4.069 8.624 1.00 4.42 C ATOM 1464 CG1 VAL A 94 4.816 4.869 9.018 1.00 1.15 C ATOM 1465 CG2 VAL A 94 6.095 2.674 9.303 1.00 61.44 C ATOM 0 H VAL A 94 4.495 2.769 7.070 1.00 1.00 H new ATOM 0 HA VAL A 94 6.371 4.952 6.629 1.00 74.13 H new ATOM 0 HB VAL A 94 6.952 4.621 8.989 1.00 4.42 H new ATOM 0 HG11 VAL A 94 4.744 4.925 10.104 1.00 1.15 H new ATOM 0 HG12 VAL A 94 4.878 5.876 8.606 1.00 1.15 H new ATOM 0 HG13 VAL A 94 3.933 4.369 8.621 1.00 1.15 H new ATOM 0 HG21 VAL A 94 5.986 2.793 10.381 1.00 61.44 H new ATOM 0 HG22 VAL A 94 5.268 2.077 8.918 1.00 61.44 H new ATOM 0 HG23 VAL A 94 7.037 2.170 9.087 1.00 61.44 H new ATOM 1475 N MET A 95 7.306 1.938 6.090 1.00 1.41 N ATOM 1476 CA MET A 95 8.366 0.922 5.893 1.00 54.41 C ATOM 1477 C MET A 95 9.403 1.338 4.813 1.00 62.41 C ATOM 1478 O MET A 95 9.066 2.055 3.853 1.00 15.53 O ATOM 1479 CB MET A 95 7.709 -0.435 5.531 1.00 24.42 C ATOM 1480 CG MET A 95 8.620 -1.653 5.671 1.00 10.25 C ATOM 1481 SD MET A 95 7.764 -3.212 5.364 1.00 22.40 S ATOM 1482 CE MET A 95 7.276 -3.033 3.648 1.00 71.10 C ATOM 0 H MET A 95 6.402 1.661 5.707 1.00 1.41 H new ATOM 0 HA MET A 95 8.920 0.830 6.827 1.00 54.41 H new ATOM 0 HB2 MET A 95 6.835 -0.579 6.166 1.00 24.42 H new ATOM 0 HB3 MET A 95 7.351 -0.385 4.503 1.00 24.42 H new ATOM 0 HG2 MET A 95 9.453 -1.559 4.974 1.00 10.25 H new ATOM 0 HG3 MET A 95 9.044 -1.669 6.675 1.00 10.25 H new ATOM 0 HE1 MET A 95 6.191 -2.948 3.585 1.00 71.10 H new ATOM 0 HE2 MET A 95 7.735 -2.137 3.231 1.00 71.10 H new ATOM 0 HE3 MET A 95 7.604 -3.906 3.083 1.00 71.10 H new ATOM 1492 N THR A 96 10.655 0.855 4.993 1.00 41.41 N ATOM 1493 CA THR A 96 11.798 1.132 4.085 1.00 33.35 C ATOM 1494 C THR A 96 11.543 0.584 2.653 1.00 31.14 C ATOM 1495 O THR A 96 10.889 -0.452 2.484 1.00 41.13 O ATOM 1496 CB THR A 96 13.119 0.494 4.662 1.00 53.14 C ATOM 1497 OG1 THR A 96 13.325 0.928 6.021 1.00 44.21 O ATOM 1498 CG2 THR A 96 14.381 0.822 3.838 1.00 62.12 C ATOM 0 H THR A 96 10.904 0.256 5.780 1.00 41.41 H new ATOM 0 HA THR A 96 11.907 2.215 4.021 1.00 33.35 H new ATOM 0 HB THR A 96 12.974 -0.585 4.612 1.00 53.14 H new ATOM 0 HG1 THR A 96 12.948 0.265 6.637 1.00 44.21 H new ATOM 0 HG21 THR A 96 15.249 0.348 4.297 1.00 62.12 H new ATOM 0 HG22 THR A 96 14.259 0.448 2.821 1.00 62.12 H new ATOM 0 HG23 THR A 96 14.528 1.902 3.812 1.00 62.12 H new ATOM 1506 N SER A 97 12.094 1.283 1.641 1.00 42.24 N ATOM 1507 CA SER A 97 11.972 0.905 0.210 1.00 24.55 C ATOM 1508 C SER A 97 12.555 -0.503 -0.067 1.00 3.24 C ATOM 1509 O SER A 97 11.956 -1.301 -0.798 1.00 41.11 O ATOM 1510 CB SER A 97 12.665 1.962 -0.683 1.00 33.02 C ATOM 1511 OG SER A 97 12.457 1.704 -2.063 1.00 34.11 O ATOM 0 H SER A 97 12.640 2.131 1.789 1.00 42.24 H new ATOM 0 HA SER A 97 10.910 0.872 -0.033 1.00 24.55 H new ATOM 0 HB2 SER A 97 12.283 2.953 -0.437 1.00 33.02 H new ATOM 0 HB3 SER A 97 13.734 1.971 -0.472 1.00 33.02 H new ATOM 0 HG SER A 97 12.907 2.392 -2.596 1.00 34.11 H new ATOM 1517 N GLU A 98 13.712 -0.793 0.559 1.00 14.23 N ATOM 1518 CA GLU A 98 14.365 -2.126 0.509 1.00 33.21 C ATOM 1519 C GLU A 98 13.412 -3.249 0.986 1.00 45.41 C ATOM 1520 O GLU A 98 13.338 -4.319 0.378 1.00 32.51 O ATOM 1521 CB GLU A 98 15.637 -2.119 1.396 1.00 13.12 C ATOM 1522 CG GLU A 98 16.690 -1.067 0.999 1.00 32.44 C ATOM 1523 CD GLU A 98 17.901 -1.046 1.947 1.00 44.22 C ATOM 1524 OE1 GLU A 98 17.821 -0.394 3.010 1.00 44.43 O ATOM 1525 OE2 GLU A 98 18.927 -1.696 1.643 1.00 20.03 O ATOM 0 H GLU A 98 14.226 -0.111 1.117 1.00 14.23 H new ATOM 0 HA GLU A 98 14.632 -2.327 -0.529 1.00 33.21 H new ATOM 0 HB2 GLU A 98 15.341 -1.946 2.431 1.00 13.12 H new ATOM 0 HB3 GLU A 98 16.097 -3.107 1.357 1.00 13.12 H new ATOM 0 HG2 GLU A 98 17.033 -1.268 -0.016 1.00 32.44 H new ATOM 0 HG3 GLU A 98 16.226 -0.081 0.989 1.00 32.44 H new ATOM 1532 N GLU A 99 12.667 -2.971 2.070 1.00 21.53 N ATOM 1533 CA GLU A 99 11.721 -3.936 2.663 1.00 54.32 C ATOM 1534 C GLU A 99 10.464 -4.143 1.786 1.00 13.24 C ATOM 1535 O GLU A 99 9.836 -5.185 1.867 1.00 60.04 O ATOM 1536 CB GLU A 99 11.310 -3.492 4.084 1.00 22.21 C ATOM 1537 CG GLU A 99 12.477 -3.338 5.080 1.00 33.22 C ATOM 1538 CD GLU A 99 12.007 -2.943 6.492 1.00 55.14 C ATOM 1539 OE1 GLU A 99 11.861 -1.731 6.766 1.00 74.24 O ATOM 1540 OE2 GLU A 99 11.760 -3.843 7.325 1.00 32.05 O ATOM 0 H GLU A 99 12.702 -2.076 2.559 1.00 21.53 H new ATOM 0 HA GLU A 99 12.240 -4.893 2.721 1.00 54.32 H new ATOM 0 HB2 GLU A 99 10.784 -2.540 4.013 1.00 22.21 H new ATOM 0 HB3 GLU A 99 10.603 -4.218 4.485 1.00 22.21 H new ATOM 0 HG2 GLU A 99 13.028 -4.277 5.135 1.00 33.22 H new ATOM 0 HG3 GLU A 99 13.169 -2.583 4.708 1.00 33.22 H new ATOM 1547 N MET A 100 10.099 -3.149 0.954 1.00 62.20 N ATOM 1548 CA MET A 100 8.995 -3.319 -0.032 1.00 23.11 C ATOM 1549 C MET A 100 9.404 -4.307 -1.157 1.00 12.25 C ATOM 1550 O MET A 100 8.555 -4.942 -1.787 1.00 40.24 O ATOM 1551 CB MET A 100 8.570 -1.956 -0.644 1.00 65.41 C ATOM 1552 CG MET A 100 8.108 -0.906 0.379 1.00 64.34 C ATOM 1553 SD MET A 100 7.335 0.541 -0.381 1.00 33.43 S ATOM 1554 CE MET A 100 8.593 1.126 -1.515 1.00 15.51 C ATOM 0 H MET A 100 10.540 -2.230 0.938 1.00 62.20 H new ATOM 0 HA MET A 100 8.140 -3.734 0.502 1.00 23.11 H new ATOM 0 HB2 MET A 100 9.410 -1.549 -1.207 1.00 65.41 H new ATOM 0 HB3 MET A 100 7.763 -2.129 -1.356 1.00 65.41 H new ATOM 0 HG2 MET A 100 7.401 -1.367 1.068 1.00 64.34 H new ATOM 0 HG3 MET A 100 8.965 -0.583 0.970 1.00 64.34 H new ATOM 0 HE1 MET A 100 8.953 2.102 -1.188 1.00 15.51 H new ATOM 0 HE2 MET A 100 9.424 0.420 -1.533 1.00 15.51 H new ATOM 0 HE3 MET A 100 8.169 1.212 -2.516 1.00 15.51 H new ATOM 1564 N ALA A 101 10.724 -4.417 -1.394 1.00 42.41 N ATOM 1565 CA ALA A 101 11.301 -5.351 -2.383 1.00 52.41 C ATOM 1566 C ALA A 101 11.650 -6.740 -1.766 1.00 4.13 C ATOM 1567 O ALA A 101 11.839 -7.707 -2.511 1.00 13.55 O ATOM 1568 CB ALA A 101 12.552 -4.711 -3.019 1.00 12.44 C ATOM 0 H ALA A 101 11.424 -3.860 -0.904 1.00 42.41 H new ATOM 0 HA ALA A 101 10.546 -5.534 -3.148 1.00 52.41 H new ATOM 0 HB1 ALA A 101 12.980 -5.397 -3.749 1.00 12.44 H new ATOM 0 HB2 ALA A 101 12.273 -3.781 -3.515 1.00 12.44 H new ATOM 0 HB3 ALA A 101 13.288 -4.501 -2.243 1.00 12.44 H new ATOM 1574 N SER A 102 11.707 -6.849 -0.414 1.00 22.04 N ATOM 1575 CA SER A 102 12.209 -8.085 0.272 1.00 45.02 C ATOM 1576 C SER A 102 11.562 -8.331 1.666 1.00 24.01 C ATOM 1577 O SER A 102 12.210 -8.891 2.570 1.00 41.01 O ATOM 1578 CB SER A 102 13.749 -7.992 0.420 1.00 12.50 C ATOM 1579 OG SER A 102 14.126 -6.918 1.275 1.00 62.53 O ATOM 0 H SER A 102 11.416 -6.108 0.224 1.00 22.04 H new ATOM 0 HA SER A 102 11.925 -8.933 -0.351 1.00 45.02 H new ATOM 0 HB2 SER A 102 14.135 -8.930 0.820 1.00 12.50 H new ATOM 0 HB3 SER A 102 14.202 -7.854 -0.562 1.00 12.50 H new ATOM 0 HG SER A 102 13.818 -6.071 0.891 1.00 62.53 H new ATOM 1585 N ASP A 103 10.267 -7.978 1.822 1.00 63.52 N ATOM 1586 CA ASP A 103 9.517 -8.150 3.108 1.00 71.51 C ATOM 1587 C ASP A 103 9.469 -9.639 3.542 1.00 3.13 C ATOM 1588 O ASP A 103 9.532 -9.969 4.735 1.00 41.50 O ATOM 1589 CB ASP A 103 8.077 -7.587 2.962 1.00 73.24 C ATOM 1590 CG ASP A 103 7.305 -7.514 4.293 1.00 4.52 C ATOM 1591 OD1 ASP A 103 7.551 -6.565 5.082 1.00 11.13 O ATOM 1592 OD2 ASP A 103 6.462 -8.399 4.563 1.00 65.45 O ATOM 0 H ASP A 103 9.707 -7.569 1.074 1.00 63.52 H new ATOM 0 HA ASP A 103 10.045 -7.594 3.883 1.00 71.51 H new ATOM 0 HB2 ASP A 103 8.129 -6.589 2.526 1.00 73.24 H new ATOM 0 HB3 ASP A 103 7.521 -8.212 2.263 1.00 73.24 H new ATOM 1597 N GLU A 104 9.410 -10.507 2.526 1.00 15.45 N ATOM 1598 CA GLU A 104 9.334 -11.966 2.676 1.00 22.41 C ATOM 1599 C GLU A 104 10.612 -12.516 3.356 1.00 44.21 C ATOM 1600 O GLU A 104 10.539 -13.355 4.251 1.00 52.53 O ATOM 1601 CB GLU A 104 9.153 -12.648 1.281 1.00 74.11 C ATOM 1602 CG GLU A 104 7.917 -12.208 0.443 1.00 75.43 C ATOM 1603 CD GLU A 104 7.980 -10.780 -0.165 1.00 44.33 C ATOM 1604 OE1 GLU A 104 9.100 -10.307 -0.489 1.00 12.35 O ATOM 1605 OE2 GLU A 104 6.919 -10.127 -0.305 1.00 31.32 O ATOM 0 H GLU A 104 9.414 -10.207 1.551 1.00 15.45 H new ATOM 0 HA GLU A 104 8.473 -12.194 3.304 1.00 22.41 H new ATOM 0 HB2 GLU A 104 10.049 -12.458 0.691 1.00 74.11 H new ATOM 0 HB3 GLU A 104 9.094 -13.726 1.434 1.00 74.11 H new ATOM 0 HG2 GLU A 104 7.781 -12.922 -0.370 1.00 75.43 H new ATOM 0 HG3 GLU A 104 7.032 -12.273 1.076 1.00 75.43 H new ATOM 1612 N LEU A 105 11.781 -11.980 2.946 1.00 74.04 N ATOM 1613 CA LEU A 105 13.106 -12.487 3.385 1.00 65.25 C ATOM 1614 C LEU A 105 13.360 -12.342 4.908 1.00 55.54 C ATOM 1615 O LEU A 105 14.191 -13.058 5.457 1.00 14.11 O ATOM 1616 CB LEU A 105 14.241 -11.817 2.572 1.00 35.51 C ATOM 1617 CG LEU A 105 14.206 -12.071 1.025 1.00 11.33 C ATOM 1618 CD1 LEU A 105 15.455 -11.486 0.330 1.00 3.02 C ATOM 1619 CD2 LEU A 105 14.043 -13.577 0.694 1.00 34.50 C ATOM 0 H LEU A 105 11.837 -11.188 2.305 1.00 74.04 H new ATOM 0 HA LEU A 105 13.100 -13.559 3.186 1.00 65.25 H new ATOM 0 HB2 LEU A 105 14.203 -10.742 2.747 1.00 35.51 H new ATOM 0 HB3 LEU A 105 15.197 -12.169 2.959 1.00 35.51 H new ATOM 0 HG LEU A 105 13.330 -11.552 0.635 1.00 11.33 H new ATOM 0 HD11 LEU A 105 15.399 -11.679 -0.741 1.00 3.02 H new ATOM 0 HD12 LEU A 105 15.497 -10.411 0.503 1.00 3.02 H new ATOM 0 HD13 LEU A 105 16.351 -11.955 0.737 1.00 3.02 H new ATOM 0 HD21 LEU A 105 14.023 -13.712 -0.387 1.00 34.50 H new ATOM 0 HD22 LEU A 105 14.880 -14.134 1.114 1.00 34.50 H new ATOM 0 HD23 LEU A 105 13.111 -13.945 1.123 1.00 34.50 H new ATOM 1631 N LYS A 106 12.613 -11.448 5.581 1.00 72.43 N ATOM 1632 CA LYS A 106 12.695 -11.263 7.057 1.00 43.20 C ATOM 1633 C LYS A 106 12.190 -12.503 7.857 1.00 63.21 C ATOM 1634 O LYS A 106 12.411 -12.598 9.071 1.00 32.41 O ATOM 1635 CB LYS A 106 11.918 -9.994 7.457 1.00 51.22 C ATOM 1636 CG LYS A 106 12.569 -8.697 6.928 1.00 14.33 C ATOM 1637 CD LYS A 106 11.819 -7.429 7.373 1.00 42.42 C ATOM 1638 CE LYS A 106 10.440 -7.291 6.707 1.00 71.13 C ATOM 1639 NZ LYS A 106 9.706 -6.084 7.160 1.00 32.43 N ATOM 0 H LYS A 106 11.937 -10.833 5.128 1.00 72.43 H new ATOM 0 HA LYS A 106 13.747 -11.149 7.317 1.00 43.20 H new ATOM 0 HB2 LYS A 106 10.899 -10.064 7.077 1.00 51.22 H new ATOM 0 HB3 LYS A 106 11.850 -9.943 8.544 1.00 51.22 H new ATOM 0 HG2 LYS A 106 13.600 -8.645 7.277 1.00 14.33 H new ATOM 0 HG3 LYS A 106 12.602 -8.731 5.839 1.00 14.33 H new ATOM 0 HD2 LYS A 106 11.695 -7.446 8.456 1.00 42.42 H new ATOM 0 HD3 LYS A 106 12.422 -6.553 7.135 1.00 42.42 H new ATOM 0 HE2 LYS A 106 10.566 -7.251 5.625 1.00 71.13 H new ATOM 0 HE3 LYS A 106 9.845 -8.177 6.926 1.00 71.13 H new ATOM 0 HZ1 LYS A 106 8.904 -5.906 6.523 1.00 32.43 H new ATOM 0 HZ2 LYS A 106 9.353 -6.235 8.127 1.00 32.43 H new ATOM 0 HZ3 LYS A 106 10.346 -5.264 7.149 1.00 32.43 H new ATOM 1653 N GLU A 107 11.501 -13.439 7.167 1.00 12.10 N ATOM 1654 CA GLU A 107 11.065 -14.740 7.747 1.00 14.55 C ATOM 1655 C GLU A 107 11.451 -15.945 6.838 1.00 63.21 C ATOM 1656 O GLU A 107 11.413 -17.095 7.284 1.00 14.33 O ATOM 1657 CB GLU A 107 9.531 -14.724 8.020 1.00 2.21 C ATOM 1658 CG GLU A 107 8.655 -14.476 6.774 1.00 15.42 C ATOM 1659 CD GLU A 107 7.146 -14.490 7.081 1.00 73.15 C ATOM 1660 OE1 GLU A 107 6.537 -15.585 7.076 1.00 12.42 O ATOM 1661 OE2 GLU A 107 6.564 -13.409 7.340 1.00 72.10 O ATOM 0 H GLU A 107 11.229 -13.319 6.191 1.00 12.10 H new ATOM 0 HA GLU A 107 11.591 -14.871 8.692 1.00 14.55 H new ATOM 0 HB2 GLU A 107 9.245 -15.678 8.464 1.00 2.21 H new ATOM 0 HB3 GLU A 107 9.315 -13.951 8.758 1.00 2.21 H new ATOM 0 HG2 GLU A 107 8.921 -13.514 6.336 1.00 15.42 H new ATOM 0 HG3 GLU A 107 8.874 -15.238 6.026 1.00 15.42 H new ATOM 1668 N ILE A 108 11.820 -15.679 5.565 1.00 73.45 N ATOM 1669 CA ILE A 108 12.212 -16.737 4.589 1.00 61.22 C ATOM 1670 C ILE A 108 13.756 -16.894 4.509 1.00 70.14 C ATOM 1671 O ILE A 108 14.282 -17.988 4.740 1.00 53.14 O ATOM 1672 CB ILE A 108 11.622 -16.429 3.151 1.00 63.04 C ATOM 1673 CG1 ILE A 108 10.053 -16.355 3.188 1.00 14.20 C ATOM 1674 CG2 ILE A 108 12.109 -17.448 2.082 1.00 14.31 C ATOM 1675 CD1 ILE A 108 9.347 -17.621 3.666 1.00 20.40 C ATOM 0 H ILE A 108 11.857 -14.735 5.181 1.00 73.45 H new ATOM 0 HA ILE A 108 11.792 -17.677 4.946 1.00 61.22 H new ATOM 0 HB ILE A 108 12.003 -15.452 2.854 1.00 63.04 H new ATOM 0 HG12 ILE A 108 9.761 -15.530 3.837 1.00 14.20 H new ATOM 0 HG13 ILE A 108 9.694 -16.116 2.187 1.00 14.20 H new ATOM 0 HG21 ILE A 108 11.677 -17.194 1.114 1.00 14.31 H new ATOM 0 HG22 ILE A 108 13.196 -17.413 2.015 1.00 14.31 H new ATOM 0 HG23 ILE A 108 11.795 -18.452 2.367 1.00 14.31 H new ATOM 0 HD11 ILE A 108 8.269 -17.463 3.653 1.00 20.40 H new ATOM 0 HD12 ILE A 108 9.600 -18.450 3.005 1.00 20.40 H new ATOM 0 HD13 ILE A 108 9.668 -17.855 4.681 1.00 20.40 H new ATOM 1687 N ARG A 109 14.457 -15.778 4.187 1.00 2.22 N ATOM 1688 CA ARG A 109 15.926 -15.739 3.914 1.00 70.43 C ATOM 1689 C ARG A 109 16.325 -16.639 2.705 1.00 51.34 C ATOM 1690 O ARG A 109 16.491 -16.151 1.579 1.00 1.14 O ATOM 1691 CB ARG A 109 16.769 -16.087 5.192 1.00 5.44 C ATOM 1692 CG ARG A 109 16.681 -15.048 6.336 1.00 13.24 C ATOM 1693 CD ARG A 109 17.312 -13.695 5.956 1.00 34.32 C ATOM 1694 NE ARG A 109 17.038 -12.655 6.965 1.00 32.55 N ATOM 1695 CZ ARG A 109 16.739 -11.398 6.704 1.00 13.21 C ATOM 1696 NH1 ARG A 109 16.656 -10.960 5.490 1.00 43.53 N ATOM 1697 NH2 ARG A 109 16.520 -10.584 7.673 1.00 40.12 N ATOM 0 H ARG A 109 14.015 -14.862 4.107 1.00 2.22 H new ATOM 0 HA ARG A 109 16.163 -14.711 3.638 1.00 70.43 H new ATOM 0 HB2 ARG A 109 16.441 -17.054 5.573 1.00 5.44 H new ATOM 0 HB3 ARG A 109 17.814 -16.197 4.901 1.00 5.44 H new ATOM 0 HG2 ARG A 109 15.635 -14.895 6.603 1.00 13.24 H new ATOM 0 HG3 ARG A 109 17.182 -15.443 7.220 1.00 13.24 H new ATOM 0 HD2 ARG A 109 18.389 -13.816 5.844 1.00 34.32 H new ATOM 0 HD3 ARG A 109 16.925 -13.373 4.989 1.00 34.32 H new ATOM 0 HE ARG A 109 17.084 -12.931 7.946 1.00 32.55 H new ATOM 0 HH11 ARG A 109 16.824 -11.592 4.707 1.00 43.53 H new ATOM 0 HH12 ARG A 109 16.423 -9.982 5.315 1.00 43.53 H new ATOM 0 HH21 ARG A 109 16.578 -10.912 8.637 1.00 40.12 H new ATOM 0 HH22 ARG A 109 16.288 -9.610 7.478 1.00 40.12 H new ATOM 1711 N LYS A 110 16.445 -17.954 2.956 1.00 35.14 N ATOM 1712 CA LYS A 110 16.847 -18.960 1.952 1.00 34.03 C ATOM 1713 C LYS A 110 16.108 -20.283 2.277 1.00 75.24 C ATOM 1714 O LYS A 110 16.542 -21.065 3.136 1.00 63.02 O ATOM 1715 CB LYS A 110 18.405 -19.099 1.980 1.00 55.20 C ATOM 1716 CG LYS A 110 19.081 -19.874 0.813 1.00 54.31 C ATOM 1717 CD LYS A 110 19.040 -21.414 0.955 1.00 54.50 C ATOM 1718 CE LYS A 110 19.917 -22.129 -0.093 1.00 21.04 C ATOM 1719 NZ LYS A 110 19.897 -23.605 0.082 1.00 60.44 N ATOM 0 H LYS A 110 16.263 -18.356 3.876 1.00 35.14 H new ATOM 0 HA LYS A 110 16.571 -18.668 0.939 1.00 34.03 H new ATOM 0 HB2 LYS A 110 18.831 -18.096 2.008 1.00 55.20 H new ATOM 0 HB3 LYS A 110 18.682 -19.589 2.913 1.00 55.20 H new ATOM 0 HG2 LYS A 110 18.594 -19.595 -0.121 1.00 54.31 H new ATOM 0 HG3 LYS A 110 20.121 -19.557 0.737 1.00 54.31 H new ATOM 0 HD2 LYS A 110 19.375 -21.692 1.954 1.00 54.50 H new ATOM 0 HD3 LYS A 110 18.010 -21.757 0.857 1.00 54.50 H new ATOM 0 HE2 LYS A 110 19.565 -21.877 -1.093 1.00 21.04 H new ATOM 0 HE3 LYS A 110 20.943 -21.768 -0.015 1.00 21.04 H new ATOM 0 HZ1 LYS A 110 20.498 -24.049 -0.641 1.00 60.44 H new ATOM 0 HZ2 LYS A 110 20.256 -23.847 1.027 1.00 60.44 H new ATOM 0 HZ3 LYS A 110 18.922 -23.953 -0.017 1.00 60.44 H new ATOM 1733 N ALA A 111 14.947 -20.482 1.629 1.00 71.22 N ATOM 1734 CA ALA A 111 14.075 -21.663 1.850 1.00 11.11 C ATOM 1735 C ALA A 111 14.418 -22.839 0.894 1.00 30.24 C ATOM 1736 O ALA A 111 15.366 -22.765 0.103 1.00 51.12 O ATOM 1737 CB ALA A 111 12.596 -21.245 1.709 1.00 12.11 C ATOM 0 H ALA A 111 14.581 -19.831 0.935 1.00 71.22 H new ATOM 0 HA ALA A 111 14.253 -22.029 2.861 1.00 11.11 H new ATOM 0 HB1 ALA A 111 11.956 -22.112 1.871 1.00 12.11 H new ATOM 0 HB2 ALA A 111 12.363 -20.478 2.448 1.00 12.11 H new ATOM 0 HB3 ALA A 111 12.424 -20.849 0.708 1.00 12.11 H new ATOM 1743 N MET A 112 13.633 -23.933 1.004 1.00 25.30 N ATOM 1744 CA MET A 112 13.771 -25.150 0.161 1.00 45.41 C ATOM 1745 C MET A 112 12.479 -26.008 0.230 1.00 73.13 C ATOM 1746 O MET A 112 11.752 -25.961 1.232 1.00 22.15 O ATOM 1747 CB MET A 112 15.003 -25.999 0.609 1.00 61.05 C ATOM 1748 CG MET A 112 14.948 -26.499 2.063 1.00 41.44 C ATOM 1749 SD MET A 112 16.387 -27.487 2.526 1.00 60.30 S ATOM 1750 CE MET A 112 15.995 -27.925 4.222 1.00 11.25 C ATOM 0 H MET A 112 12.877 -24.001 1.686 1.00 25.30 H new ATOM 0 HA MET A 112 13.927 -24.831 -0.870 1.00 45.41 H new ATOM 0 HB2 MET A 112 15.093 -26.860 -0.053 1.00 61.05 H new ATOM 0 HB3 MET A 112 15.905 -25.401 0.479 1.00 61.05 H new ATOM 0 HG2 MET A 112 14.872 -25.643 2.733 1.00 41.44 H new ATOM 0 HG3 MET A 112 14.046 -27.094 2.203 1.00 41.44 H new ATOM 0 HE1 MET A 112 16.798 -28.536 4.635 1.00 11.25 H new ATOM 0 HE2 MET A 112 15.887 -27.018 4.816 1.00 11.25 H new ATOM 0 HE3 MET A 112 15.062 -28.488 4.246 1.00 11.25 H new ATOM 1760 N THR A 113 12.195 -26.777 -0.841 1.00 52.54 N ATOM 1761 CA THR A 113 11.063 -27.753 -0.873 1.00 12.42 C ATOM 1762 C THR A 113 11.530 -29.119 -1.458 1.00 34.22 C ATOM 1763 O THR A 113 11.743 -30.072 -0.674 1.00 38.21 O ATOM 1764 CB THR A 113 9.813 -27.215 -1.677 1.00 62.11 C ATOM 1765 OG1 THR A 113 10.204 -26.792 -2.998 1.00 11.30 O ATOM 1766 CG2 THR A 113 9.102 -26.047 -0.965 1.00 65.34 C ATOM 1767 OXT THR A 113 11.729 -29.223 -2.693 1.00 38.21 O ATOM 0 H THR A 113 12.734 -26.747 -1.707 1.00 52.54 H new ATOM 0 HA THR A 113 10.744 -27.892 0.160 1.00 12.42 H new ATOM 0 HB THR A 113 9.110 -28.046 -1.740 1.00 62.11 H new ATOM 0 HG1 THR A 113 10.831 -27.442 -3.377 1.00 11.30 H new ATOM 0 HG21 THR A 113 8.252 -25.719 -1.564 1.00 65.34 H new ATOM 0 HG22 THR A 113 8.752 -26.376 0.013 1.00 65.34 H new ATOM 0 HG23 THR A 113 9.799 -25.218 -0.841 1.00 65.34 H new TER 1775 THR A 113