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 84 CYS SG : rot 6:sc= -0.231! USER MOD Set 1.2: A 110 LYS NZ :NH3+ 141:sc= 0.719 (180deg=-2.2!) USER MOD Set 2.1: A 88 THR OG1 : rot -64:sc= -0.332 USER MOD Set 2.2: A 91 GLN : amide:sc= 0.795 K(o=0.46,f=-3.5!) USER MOD Set 3.1: A 69 ASN : amide:sc= -1.23! X(o=-0.99!,f=-1.2) USER MOD Set 3.2: A 75 ASN : amide:sc= 0.313 X(o=-0.99,f=-1.2) USER MOD Set 3.3: A 100 MET CE :methyl 172:sc= -0.0759 (180deg=-0.26) USER MOD Set 4.1: A 1 SER OG : rot -129:sc= 0.00127 USER MOD Set 4.2: A 43 GLN : amide:sc=0.000476 X(o=0.0017,f=-0.03) USER MOD Set 5.1: A 25 GLN : amide:sc= -0.316 K(o=-3.9,f=-5) USER MOD Set 5.2: A 37 CYS SG : rot -5:sc= -3.59! USER MOD Set 6.1: A 21 THR OG1 : rot 85:sc= 1.48 USER MOD Set 6.2: A 41 SER OG : rot -158:sc= 0.833 USER MOD Set 7.1: A 16 CYS SG : rot 68:sc= 2.06 USER MOD Set 7.2: A 59 TYR OH : rot -140:sc= 1.14 USER MOD Single : A 1 SER N :NH3+ -115:sc= 0.0451 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -169:sc=-0.00666 (180deg=-0.131) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 32:sc= 0.0554 USER MOD Single : A 14 ASN : amide:sc= 0.622 K(o=0.62,f=-3.5!) USER MOD Single : A 15 LYS NZ :NH3+ -114:sc= -0.419 (180deg=-1.78!) USER MOD Single : A 19 MET CE :methyl -175:sc= -0.768 (180deg=-0.86) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.00021) USER MOD Single : A 30 HIS : +bothHN:sc= -5.86! C(o=-5.9!,f=-9.3!) USER MOD Single : A 47 CYS SG : rot -130:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.229 K(o=-0.23,f=-3.5!) USER MOD Single : A 55 THR OG1 : rot -22:sc= 1.02 USER MOD Single : A 57 MET CE :methyl -159:sc= -0.205 (180deg=-0.718) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000965) USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0643) USER MOD Single : A 61 ASN : amide:sc= 0.657 K(o=0.66,f=-4.8!) USER MOD Single : A 65 SER OG : rot 73:sc= 1.26 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+ -177:sc= 0 (180deg=-0.00633) USER MOD Single : A 81 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.6) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 MET CE :methyl 179:sc= -0.512 (180deg=-0.514) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.579 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 170:sc= -0.0696 USER MOD Single : A 106 LYS NZ :NH3+ -178:sc= -1.48! (180deg=-1.57!) USER MOD Single : A 112 MET CE :methyl 159:sc= -0.141 (180deg=-0.682) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.081 6.964 12.067 1.00 21.20 N ATOM 2 CA SER A 1 -4.177 7.910 11.731 1.00 61.23 C ATOM 3 C SER A 1 -4.633 8.736 12.963 1.00 70.25 C ATOM 4 O SER A 1 -4.355 8.373 14.112 1.00 15.44 O ATOM 5 CB SER A 1 -5.374 7.139 11.130 1.00 70.22 C ATOM 6 OG SER A 1 -4.978 6.402 9.982 1.00 14.43 O ATOM 0 H1 SER A 1 -2.218 7.237 11.556 1.00 21.20 H new ATOM 0 H2 SER A 1 -2.900 6.992 13.091 1.00 21.20 H new ATOM 0 H3 SER A 1 -3.357 6.000 11.790 1.00 21.20 H new ATOM 0 HA SER A 1 -3.791 8.614 10.994 1.00 61.23 H new ATOM 0 HB2 SER A 1 -5.787 6.461 11.877 1.00 70.22 H new ATOM 0 HB3 SER A 1 -6.165 7.839 10.862 1.00 70.22 H new ATOM 0 HG SER A 1 -5.587 6.600 9.240 1.00 14.43 H new ATOM 14 N HIS A 2 -5.355 9.842 12.685 1.00 50.13 N ATOM 15 CA HIS A 2 -5.942 10.749 13.705 1.00 65.20 C ATOM 16 C HIS A 2 -7.021 11.632 13.036 1.00 11.44 C ATOM 17 O HIS A 2 -8.141 11.762 13.544 1.00 21.41 O ATOM 18 CB HIS A 2 -4.858 11.643 14.375 1.00 1.44 C ATOM 19 CG HIS A 2 -5.373 12.526 15.499 1.00 73.00 C ATOM 20 ND1 HIS A 2 -5.341 12.154 16.823 1.00 60.45 N ATOM 21 CD2 HIS A 2 -5.951 13.761 15.485 1.00 34.32 C ATOM 22 CE1 HIS A 2 -5.869 13.101 17.568 1.00 72.13 C ATOM 23 NE2 HIS A 2 -6.241 14.087 16.780 1.00 70.13 N ATOM 0 H HIS A 2 -5.552 10.139 11.729 1.00 50.13 H new ATOM 0 HA HIS A 2 -6.391 10.140 14.490 1.00 65.20 H new ATOM 0 HB2 HIS A 2 -4.068 11.002 14.767 1.00 1.44 H new ATOM 0 HB3 HIS A 2 -4.405 12.276 13.612 1.00 1.44 H new ATOM 0 HD2 HIS A 2 -6.144 14.368 14.613 1.00 34.32 H new ATOM 0 HE1 HIS A 2 -5.978 13.074 18.642 1.00 72.13 H new ATOM 0 HE2 HIS A 2 -6.677 14.957 17.087 1.00 70.13 H new ATOM 32 N MET A 3 -6.654 12.248 11.894 1.00 0.50 N ATOM 33 CA MET A 3 -7.581 13.081 11.094 1.00 31.42 C ATOM 34 C MET A 3 -8.637 12.191 10.380 1.00 10.42 C ATOM 35 O MET A 3 -8.375 11.001 10.140 1.00 1.55 O ATOM 36 CB MET A 3 -6.794 13.917 10.037 1.00 14.23 C ATOM 37 CG MET A 3 -5.771 14.897 10.624 1.00 42.35 C ATOM 38 SD MET A 3 -5.074 16.030 9.391 1.00 44.43 S ATOM 39 CE MET A 3 -4.294 14.911 8.227 1.00 73.31 C ATOM 0 H MET A 3 -5.715 12.184 11.501 1.00 0.50 H new ATOM 0 HA MET A 3 -8.094 13.763 11.772 1.00 31.42 H new ATOM 0 HB2 MET A 3 -6.276 13.232 9.365 1.00 14.23 H new ATOM 0 HB3 MET A 3 -7.508 14.477 9.433 1.00 14.23 H new ATOM 0 HG2 MET A 3 -6.247 15.478 11.414 1.00 42.35 H new ATOM 0 HG3 MET A 3 -4.962 14.333 11.087 1.00 42.35 H new ATOM 0 HE1 MET A 3 -3.670 15.480 7.538 1.00 73.31 H new ATOM 0 HE2 MET A 3 -3.676 14.195 8.769 1.00 73.31 H new ATOM 0 HE3 MET A 3 -5.061 14.377 7.666 1.00 73.31 H new ATOM 49 N PRO A 4 -9.855 12.739 10.044 1.00 25.34 N ATOM 50 CA PRO A 4 -10.816 12.036 9.153 1.00 3.13 C ATOM 51 C PRO A 4 -10.184 11.776 7.753 1.00 4.30 C ATOM 52 O PRO A 4 -9.554 12.680 7.183 1.00 5.05 O ATOM 53 CB PRO A 4 -12.028 13.014 9.074 1.00 14.24 C ATOM 54 CG PRO A 4 -11.477 14.350 9.489 1.00 55.31 C ATOM 55 CD PRO A 4 -10.396 14.050 10.503 1.00 1.40 C ATOM 0 HA PRO A 4 -11.106 11.052 9.522 1.00 3.13 H new ATOM 0 HB2 PRO A 4 -12.439 13.053 8.065 1.00 14.24 H new ATOM 0 HB3 PRO A 4 -12.835 12.697 9.735 1.00 14.24 H new ATOM 0 HG2 PRO A 4 -11.072 14.889 8.633 1.00 55.31 H new ATOM 0 HG3 PRO A 4 -12.256 14.978 9.922 1.00 55.31 H new ATOM 0 HD2 PRO A 4 -9.627 14.822 10.512 1.00 1.40 H new ATOM 0 HD3 PRO A 4 -10.798 13.988 11.514 1.00 1.40 H new ATOM 63 N VAL A 5 -10.349 10.534 7.236 1.00 14.44 N ATOM 64 CA VAL A 5 -9.733 10.074 5.960 1.00 54.44 C ATOM 65 C VAL A 5 -10.034 11.054 4.779 1.00 74.33 C ATOM 66 O VAL A 5 -11.180 11.522 4.640 1.00 54.42 O ATOM 67 CB VAL A 5 -10.205 8.607 5.602 1.00 1.52 C ATOM 68 CG1 VAL A 5 -9.701 7.589 6.657 1.00 64.41 C ATOM 69 CG2 VAL A 5 -11.747 8.517 5.444 1.00 5.15 C ATOM 0 H VAL A 5 -10.915 9.818 7.692 1.00 14.44 H new ATOM 0 HA VAL A 5 -8.653 10.064 6.109 1.00 54.44 H new ATOM 0 HB VAL A 5 -9.763 8.353 4.639 1.00 1.52 H new ATOM 0 HG11 VAL A 5 -10.039 6.588 6.388 1.00 64.41 H new ATOM 0 HG12 VAL A 5 -8.612 7.608 6.689 1.00 64.41 H new ATOM 0 HG13 VAL A 5 -10.097 7.854 7.637 1.00 64.41 H new ATOM 0 HG21 VAL A 5 -12.028 7.493 5.198 1.00 5.15 H new ATOM 0 HG22 VAL A 5 -12.226 8.811 6.378 1.00 5.15 H new ATOM 0 HG23 VAL A 5 -12.070 9.184 4.645 1.00 5.15 H new ATOM 79 N PRO A 6 -9.011 11.391 3.918 1.00 72.30 N ATOM 80 CA PRO A 6 -9.148 12.478 2.920 1.00 0.15 C ATOM 81 C PRO A 6 -10.183 12.162 1.808 1.00 24.14 C ATOM 82 O PRO A 6 -10.283 11.034 1.307 1.00 1.44 O ATOM 83 CB PRO A 6 -7.719 12.633 2.352 1.00 34.12 C ATOM 84 CG PRO A 6 -7.106 11.273 2.523 1.00 75.25 C ATOM 85 CD PRO A 6 -7.671 10.738 3.829 1.00 71.41 C ATOM 0 HA PRO A 6 -9.531 13.394 3.370 1.00 0.15 H new ATOM 0 HB2 PRO A 6 -7.737 12.933 1.304 1.00 34.12 H new ATOM 0 HB3 PRO A 6 -7.156 13.394 2.892 1.00 34.12 H new ATOM 0 HG2 PRO A 6 -7.360 10.620 1.688 1.00 75.25 H new ATOM 0 HG3 PRO A 6 -6.018 11.334 2.561 1.00 75.25 H new ATOM 0 HD2 PRO A 6 -7.753 9.651 3.816 1.00 71.41 H new ATOM 0 HD3 PRO A 6 -7.039 11.000 4.678 1.00 71.41 H new ATOM 93 N VAL A 7 -10.929 13.200 1.429 1.00 52.34 N ATOM 94 CA VAL A 7 -12.081 13.115 0.514 1.00 3.12 C ATOM 95 C VAL A 7 -11.914 14.147 -0.632 1.00 70.00 C ATOM 96 O VAL A 7 -12.046 15.360 -0.421 1.00 42.11 O ATOM 97 CB VAL A 7 -13.428 13.334 1.319 1.00 23.45 C ATOM 98 CG1 VAL A 7 -13.829 12.055 2.101 1.00 13.54 C ATOM 99 CG2 VAL A 7 -13.303 14.542 2.288 1.00 22.31 C ATOM 0 H VAL A 7 -10.749 14.150 1.755 1.00 52.34 H new ATOM 0 HA VAL A 7 -12.126 12.123 0.065 1.00 3.12 H new ATOM 0 HB VAL A 7 -14.214 13.550 0.595 1.00 23.45 H new ATOM 0 HG11 VAL A 7 -14.757 12.236 2.643 1.00 13.54 H new ATOM 0 HG12 VAL A 7 -13.972 11.231 1.402 1.00 13.54 H new ATOM 0 HG13 VAL A 7 -13.040 11.798 2.808 1.00 13.54 H new ATOM 0 HG21 VAL A 7 -14.240 14.673 2.829 1.00 22.31 H new ATOM 0 HG22 VAL A 7 -12.497 14.357 2.998 1.00 22.31 H new ATOM 0 HG23 VAL A 7 -13.085 15.445 1.718 1.00 22.31 H new ATOM 109 N THR A 8 -11.600 13.630 -1.834 1.00 72.24 N ATOM 110 CA THR A 8 -11.174 14.426 -3.003 1.00 53.22 C ATOM 111 C THR A 8 -9.874 15.223 -2.690 1.00 23.13 C ATOM 112 O THR A 8 -8.772 14.735 -2.973 1.00 0.22 O ATOM 113 CB THR A 8 -12.310 15.360 -3.569 1.00 73.45 C ATOM 114 OG1 THR A 8 -13.457 14.567 -3.915 1.00 1.34 O ATOM 115 CG2 THR A 8 -11.861 16.157 -4.811 1.00 32.33 C ATOM 0 H THR A 8 -11.635 12.629 -2.025 1.00 72.24 H new ATOM 0 HA THR A 8 -10.955 13.715 -3.799 1.00 53.22 H new ATOM 0 HB THR A 8 -12.554 16.077 -2.785 1.00 73.45 H new ATOM 0 HG1 THR A 8 -14.163 15.149 -4.265 1.00 1.34 H new ATOM 0 HG21 THR A 8 -12.683 16.783 -5.158 1.00 32.33 H new ATOM 0 HG22 THR A 8 -11.010 16.786 -4.551 1.00 32.33 H new ATOM 0 HG23 THR A 8 -11.572 15.465 -5.602 1.00 32.33 H new ATOM 123 N CYS A 9 -10.025 16.412 -2.044 1.00 63.24 N ATOM 124 CA CYS A 9 -8.917 17.351 -1.749 1.00 60.03 C ATOM 125 C CYS A 9 -8.084 17.645 -3.022 1.00 5.21 C ATOM 126 O CYS A 9 -6.873 17.415 -3.047 1.00 71.44 O ATOM 127 CB CYS A 9 -8.026 16.800 -0.604 1.00 33.44 C ATOM 128 SG CYS A 9 -8.924 16.392 0.910 1.00 1.01 S ATOM 0 H CYS A 9 -10.930 16.745 -1.712 1.00 63.24 H new ATOM 0 HA CYS A 9 -9.347 18.295 -1.415 1.00 60.03 H new ATOM 0 HB2 CYS A 9 -7.511 15.907 -0.958 1.00 33.44 H new ATOM 0 HB3 CYS A 9 -7.259 17.538 -0.369 1.00 33.44 H new ATOM 0 HG CYS A 9 -10.122 15.986 0.608 1.00 1.01 H new ATOM 134 N ASP A 10 -8.780 18.096 -4.094 1.00 11.30 N ATOM 135 CA ASP A 10 -8.204 18.265 -5.459 1.00 11.15 C ATOM 136 C ASP A 10 -7.785 16.882 -6.075 1.00 64.52 C ATOM 137 O ASP A 10 -7.713 15.864 -5.374 1.00 5.23 O ATOM 138 CB ASP A 10 -7.031 19.306 -5.437 1.00 2.54 C ATOM 139 CG ASP A 10 -6.437 19.638 -6.821 1.00 61.33 C ATOM 140 OD1 ASP A 10 -7.021 20.467 -7.551 1.00 55.45 O ATOM 141 OD2 ASP A 10 -5.403 19.041 -7.194 1.00 35.15 O ATOM 0 H ASP A 10 -9.765 18.356 -4.040 1.00 11.30 H new ATOM 0 HA ASP A 10 -8.973 18.669 -6.117 1.00 11.15 H new ATOM 0 HB2 ASP A 10 -7.390 20.228 -4.980 1.00 2.54 H new ATOM 0 HB3 ASP A 10 -6.235 18.923 -4.798 1.00 2.54 H new ATOM 146 N ALA A 11 -7.505 16.858 -7.388 1.00 22.53 N ATOM 147 CA ALA A 11 -7.147 15.624 -8.126 1.00 13.32 C ATOM 148 C ALA A 11 -5.835 14.943 -7.639 1.00 52.12 C ATOM 149 O ALA A 11 -5.547 13.823 -8.057 1.00 62.20 O ATOM 150 CB ALA A 11 -7.061 15.934 -9.625 1.00 11.34 C ATOM 0 H ALA A 11 -7.519 17.693 -7.974 1.00 22.53 H new ATOM 0 HA ALA A 11 -7.940 14.904 -7.925 1.00 13.32 H new ATOM 0 HB1 ALA A 11 -6.798 15.027 -10.170 1.00 11.34 H new ATOM 0 HB2 ALA A 11 -8.025 16.301 -9.976 1.00 11.34 H new ATOM 0 HB3 ALA A 11 -6.299 16.694 -9.796 1.00 11.34 H new ATOM 156 N VAL A 12 -5.027 15.617 -6.785 1.00 1.54 N ATOM 157 CA VAL A 12 -3.782 15.011 -6.239 1.00 51.43 C ATOM 158 C VAL A 12 -4.099 13.905 -5.198 1.00 12.43 C ATOM 159 O VAL A 12 -3.812 12.728 -5.429 1.00 42.42 O ATOM 160 CB VAL A 12 -2.834 16.071 -5.557 1.00 44.53 C ATOM 161 CG1 VAL A 12 -1.487 15.426 -5.136 1.00 63.30 C ATOM 162 CG2 VAL A 12 -2.605 17.295 -6.463 1.00 22.14 C ATOM 0 H VAL A 12 -5.209 16.567 -6.461 1.00 1.54 H new ATOM 0 HA VAL A 12 -3.268 14.583 -7.100 1.00 51.43 H new ATOM 0 HB VAL A 12 -3.334 16.424 -4.655 1.00 44.53 H new ATOM 0 HG11 VAL A 12 -0.853 16.180 -4.669 1.00 63.30 H new ATOM 0 HG12 VAL A 12 -1.675 14.620 -4.427 1.00 63.30 H new ATOM 0 HG13 VAL A 12 -0.985 15.025 -6.016 1.00 63.30 H new ATOM 0 HG21 VAL A 12 -1.947 18.003 -5.959 1.00 22.14 H new ATOM 0 HG22 VAL A 12 -2.145 16.975 -7.398 1.00 22.14 H new ATOM 0 HG23 VAL A 12 -3.560 17.775 -6.674 1.00 22.14 H new ATOM 172 N ARG A 13 -4.738 14.304 -4.078 1.00 21.21 N ATOM 173 CA ARG A 13 -4.945 13.421 -2.897 1.00 24.20 C ATOM 174 C ARG A 13 -5.953 12.287 -3.193 1.00 61.23 C ATOM 175 O ARG A 13 -5.799 11.171 -2.676 1.00 12.51 O ATOM 176 CB ARG A 13 -5.393 14.254 -1.649 1.00 73.01 C ATOM 177 CG ARG A 13 -4.254 14.931 -0.836 1.00 12.13 C ATOM 178 CD ARG A 13 -3.400 15.933 -1.639 1.00 32.14 C ATOM 179 NE ARG A 13 -4.209 17.015 -2.233 1.00 22.22 N ATOM 180 CZ ARG A 13 -3.864 18.285 -2.333 1.00 72.12 C ATOM 181 NH1 ARG A 13 -2.773 18.736 -1.818 1.00 24.21 N ATOM 182 NH2 ARG A 13 -4.652 19.112 -2.924 1.00 63.12 N ATOM 0 H ARG A 13 -5.125 15.240 -3.961 1.00 21.21 H new ATOM 0 HA ARG A 13 -3.987 12.952 -2.672 1.00 24.20 H new ATOM 0 HB2 ARG A 13 -6.084 15.028 -1.983 1.00 73.01 H new ATOM 0 HB3 ARG A 13 -5.949 13.598 -0.980 1.00 73.01 H new ATOM 0 HG2 ARG A 13 -4.693 15.449 0.017 1.00 12.13 H new ATOM 0 HG3 ARG A 13 -3.601 14.156 -0.436 1.00 12.13 H new ATOM 0 HD2 ARG A 13 -2.643 16.366 -0.985 1.00 32.14 H new ATOM 0 HD3 ARG A 13 -2.871 15.402 -2.431 1.00 32.14 H new ATOM 0 HE ARG A 13 -5.124 16.756 -2.602 1.00 22.22 H new ATOM 0 HH11 ARG A 13 -2.148 18.106 -1.316 1.00 24.21 H new ATOM 0 HH12 ARG A 13 -2.534 19.723 -1.913 1.00 24.21 H new ATOM 0 HH21 ARG A 13 -5.537 18.785 -3.312 1.00 63.12 H new ATOM 0 HH22 ARG A 13 -4.392 20.095 -3.005 1.00 63.12 H new ATOM 196 N ASN A 14 -6.984 12.575 -4.018 1.00 51.13 N ATOM 197 CA ASN A 14 -7.960 11.548 -4.436 1.00 52.42 C ATOM 198 C ASN A 14 -7.263 10.467 -5.291 1.00 11.10 C ATOM 199 O ASN A 14 -7.405 9.280 -5.020 1.00 4.34 O ATOM 200 CB ASN A 14 -9.140 12.167 -5.223 1.00 30.04 C ATOM 201 CG ASN A 14 -10.278 11.164 -5.489 1.00 22.05 C ATOM 202 OD1 ASN A 14 -10.539 10.266 -4.691 1.00 33.15 O ATOM 203 ND2 ASN A 14 -10.961 11.299 -6.609 1.00 51.10 N ATOM 0 H ASN A 14 -7.160 13.503 -4.404 1.00 51.13 H new ATOM 0 HA ASN A 14 -8.365 11.090 -3.533 1.00 52.42 H new ATOM 0 HB2 ASN A 14 -9.535 13.017 -4.666 1.00 30.04 H new ATOM 0 HB3 ASN A 14 -8.773 12.552 -6.174 1.00 30.04 H new ATOM 0 HD21 ASN A 14 -11.720 10.652 -6.825 1.00 51.10 H new ATOM 0 HD22 ASN A 14 -10.731 12.050 -7.260 1.00 51.10 H new ATOM 210 N LYS A 15 -6.485 10.918 -6.301 1.00 42.12 N ATOM 211 CA LYS A 15 -5.748 10.022 -7.221 1.00 41.04 C ATOM 212 C LYS A 15 -4.722 9.136 -6.476 1.00 2.34 C ATOM 213 O LYS A 15 -4.601 7.960 -6.783 1.00 20.14 O ATOM 214 CB LYS A 15 -5.038 10.832 -8.320 1.00 23.35 C ATOM 215 CG LYS A 15 -4.288 9.981 -9.364 1.00 13.11 C ATOM 216 CD LYS A 15 -3.618 10.819 -10.473 1.00 30.10 C ATOM 217 CE LYS A 15 -2.519 11.786 -9.958 1.00 52.33 C ATOM 218 NZ LYS A 15 -3.077 13.063 -9.419 1.00 75.15 N ATOM 0 H LYS A 15 -6.351 11.909 -6.501 1.00 42.12 H new ATOM 0 HA LYS A 15 -6.486 9.364 -7.679 1.00 41.04 H new ATOM 0 HB2 LYS A 15 -5.777 11.446 -8.835 1.00 23.35 H new ATOM 0 HB3 LYS A 15 -4.329 11.514 -7.850 1.00 23.35 H new ATOM 0 HG2 LYS A 15 -3.527 9.387 -8.858 1.00 13.11 H new ATOM 0 HG3 LYS A 15 -4.987 9.281 -9.821 1.00 13.11 H new ATOM 0 HD2 LYS A 15 -3.179 10.145 -11.208 1.00 30.10 H new ATOM 0 HD3 LYS A 15 -4.384 11.398 -10.989 1.00 30.10 H new ATOM 0 HE2 LYS A 15 -1.941 11.290 -9.178 1.00 52.33 H new ATOM 0 HE3 LYS A 15 -1.829 12.011 -10.771 1.00 52.33 H new ATOM 0 HZ1 LYS A 15 -2.781 13.855 -10.025 1.00 75.15 H new ATOM 0 HZ2 LYS A 15 -4.115 13.009 -9.404 1.00 75.15 H new ATOM 0 HZ3 LYS A 15 -2.724 13.216 -8.453 1.00 75.15 H new ATOM 232 N CYS A 16 -3.995 9.717 -5.499 1.00 33.11 N ATOM 233 CA CYS A 16 -3.008 8.969 -4.668 1.00 31.44 C ATOM 234 C CYS A 16 -3.672 7.771 -3.952 1.00 44.04 C ATOM 235 O CYS A 16 -3.165 6.645 -3.989 1.00 23.23 O ATOM 236 CB CYS A 16 -2.336 9.909 -3.644 1.00 62.03 C ATOM 237 SG CYS A 16 -1.442 11.277 -4.415 1.00 12.13 S ATOM 0 H CYS A 16 -4.068 10.706 -5.260 1.00 33.11 H new ATOM 0 HA CYS A 16 -2.240 8.577 -5.334 1.00 31.44 H new ATOM 0 HB2 CYS A 16 -3.097 10.311 -2.976 1.00 62.03 H new ATOM 0 HB3 CYS A 16 -1.645 9.332 -3.029 1.00 62.03 H new ATOM 0 HG CYS A 16 -2.289 12.086 -4.980 1.00 12.13 H new ATOM 243 N ARG A 17 -4.844 8.038 -3.355 1.00 2.03 N ATOM 244 CA ARG A 17 -5.685 7.015 -2.692 1.00 31.32 C ATOM 245 C ARG A 17 -6.235 5.988 -3.732 1.00 45.42 C ATOM 246 O ARG A 17 -6.237 4.787 -3.470 1.00 55.04 O ATOM 247 CB ARG A 17 -6.827 7.746 -1.900 1.00 12.41 C ATOM 248 CG ARG A 17 -7.738 6.874 -0.978 1.00 24.12 C ATOM 249 CD ARG A 17 -8.908 6.181 -1.712 1.00 73.23 C ATOM 250 NE ARG A 17 -9.757 7.145 -2.451 1.00 41.42 N ATOM 251 CZ ARG A 17 -10.996 6.927 -2.838 1.00 33.04 C ATOM 252 NH1 ARG A 17 -11.588 5.803 -2.591 1.00 65.44 N ATOM 253 NH2 ARG A 17 -11.639 7.842 -3.486 1.00 12.43 N ATOM 0 H ARG A 17 -5.243 8.976 -3.316 1.00 2.03 H new ATOM 0 HA ARG A 17 -5.091 6.436 -1.985 1.00 31.32 H new ATOM 0 HB2 ARG A 17 -6.367 8.519 -1.284 1.00 12.41 H new ATOM 0 HB3 ARG A 17 -7.467 8.252 -2.623 1.00 12.41 H new ATOM 0 HG2 ARG A 17 -7.125 6.112 -0.496 1.00 24.12 H new ATOM 0 HG3 ARG A 17 -8.143 7.504 -0.187 1.00 24.12 H new ATOM 0 HD2 ARG A 17 -8.511 5.442 -2.408 1.00 73.23 H new ATOM 0 HD3 ARG A 17 -9.519 5.642 -0.989 1.00 73.23 H new ATOM 0 HE ARG A 17 -9.348 8.051 -2.678 1.00 41.42 H new ATOM 0 HH11 ARG A 17 -11.094 5.066 -2.088 1.00 65.44 H new ATOM 0 HH12 ARG A 17 -12.549 5.654 -2.900 1.00 65.44 H new ATOM 0 HH21 ARG A 17 -11.186 8.731 -3.697 1.00 12.43 H new ATOM 0 HH22 ARG A 17 -12.599 7.675 -3.787 1.00 12.43 H new ATOM 267 N GLU A 18 -6.680 6.485 -4.909 1.00 53.33 N ATOM 268 CA GLU A 18 -7.245 5.653 -6.014 1.00 22.22 C ATOM 269 C GLU A 18 -6.205 4.668 -6.605 1.00 11.40 C ATOM 270 O GLU A 18 -6.539 3.532 -6.934 1.00 62.04 O ATOM 271 CB GLU A 18 -7.798 6.567 -7.156 1.00 41.22 C ATOM 272 CG GLU A 18 -9.104 7.332 -6.831 1.00 14.13 C ATOM 273 CD GLU A 18 -10.366 6.449 -6.849 1.00 24.24 C ATOM 274 OE1 GLU A 18 -10.642 5.752 -5.849 1.00 3.40 O ATOM 275 OE2 GLU A 18 -11.085 6.444 -7.879 1.00 64.55 O ATOM 0 H GLU A 18 -6.660 7.481 -5.127 1.00 53.33 H new ATOM 0 HA GLU A 18 -8.054 5.065 -5.581 1.00 22.22 H new ATOM 0 HB2 GLU A 18 -7.029 7.293 -7.419 1.00 41.22 H new ATOM 0 HB3 GLU A 18 -7.970 5.951 -8.038 1.00 41.22 H new ATOM 0 HG2 GLU A 18 -9.009 7.792 -5.848 1.00 14.13 H new ATOM 0 HG3 GLU A 18 -9.228 8.141 -7.551 1.00 14.13 H new ATOM 282 N MET A 19 -4.951 5.126 -6.737 1.00 71.35 N ATOM 283 CA MET A 19 -3.847 4.332 -7.322 1.00 3.31 C ATOM 284 C MET A 19 -3.355 3.239 -6.344 1.00 2.52 C ATOM 285 O MET A 19 -3.000 2.132 -6.766 1.00 22.22 O ATOM 286 CB MET A 19 -2.676 5.258 -7.728 1.00 24.20 C ATOM 287 CG MET A 19 -2.985 6.252 -8.859 1.00 13.23 C ATOM 288 SD MET A 19 -1.548 7.246 -9.337 1.00 24.00 S ATOM 289 CE MET A 19 -1.129 8.106 -7.817 1.00 3.22 C ATOM 0 H MET A 19 -4.668 6.060 -6.442 1.00 71.35 H new ATOM 0 HA MET A 19 -4.230 3.833 -8.212 1.00 3.31 H new ATOM 0 HB2 MET A 19 -2.358 5.820 -6.850 1.00 24.20 H new ATOM 0 HB3 MET A 19 -1.833 4.638 -8.032 1.00 24.20 H new ATOM 0 HG2 MET A 19 -3.347 5.704 -9.729 1.00 13.23 H new ATOM 0 HG3 MET A 19 -3.790 6.915 -8.543 1.00 13.23 H new ATOM 0 HE1 MET A 19 -0.320 8.811 -8.009 1.00 3.22 H new ATOM 0 HE2 MET A 19 -2.002 8.646 -7.452 1.00 3.22 H new ATOM 0 HE3 MET A 19 -0.810 7.383 -7.066 1.00 3.22 H new ATOM 299 N LEU A 20 -3.326 3.570 -5.036 1.00 42.12 N ATOM 300 CA LEU A 20 -3.030 2.585 -3.971 1.00 62.12 C ATOM 301 C LEU A 20 -4.177 1.546 -3.846 1.00 13.22 C ATOM 302 O LEU A 20 -3.926 0.370 -3.602 1.00 1.14 O ATOM 303 CB LEU A 20 -2.779 3.296 -2.611 1.00 64.20 C ATOM 304 CG LEU A 20 -1.553 4.270 -2.553 1.00 40.34 C ATOM 305 CD1 LEU A 20 -1.436 4.948 -1.162 1.00 52.14 C ATOM 306 CD2 LEU A 20 -0.237 3.550 -2.942 1.00 73.33 C ATOM 0 H LEU A 20 -3.504 4.513 -4.690 1.00 42.12 H new ATOM 0 HA LEU A 20 -2.119 2.054 -4.247 1.00 62.12 H new ATOM 0 HB2 LEU A 20 -3.675 3.858 -2.348 1.00 64.20 H new ATOM 0 HB3 LEU A 20 -2.646 2.532 -1.845 1.00 64.20 H new ATOM 0 HG LEU A 20 -1.725 5.055 -3.289 1.00 40.34 H new ATOM 0 HD11 LEU A 20 -0.576 5.617 -1.155 1.00 52.14 H new ATOM 0 HD12 LEU A 20 -2.342 5.519 -0.958 1.00 52.14 H new ATOM 0 HD13 LEU A 20 -1.308 4.184 -0.395 1.00 52.14 H new ATOM 0 HD21 LEU A 20 0.592 4.255 -2.891 1.00 73.33 H new ATOM 0 HD22 LEU A 20 -0.056 2.726 -2.252 1.00 73.33 H new ATOM 0 HD23 LEU A 20 -0.321 3.162 -3.957 1.00 73.33 H new ATOM 318 N THR A 21 -5.435 2.006 -4.035 1.00 24.40 N ATOM 319 CA THR A 21 -6.633 1.120 -4.078 1.00 62.05 C ATOM 320 C THR A 21 -6.576 0.168 -5.298 1.00 65.53 C ATOM 321 O THR A 21 -6.866 -1.017 -5.176 1.00 13.54 O ATOM 322 CB THR A 21 -7.973 1.945 -4.123 1.00 22.53 C ATOM 323 OG1 THR A 21 -8.126 2.716 -2.922 1.00 55.42 O ATOM 324 CG2 THR A 21 -9.219 1.052 -4.302 1.00 14.12 C ATOM 0 H THR A 21 -5.653 2.994 -4.162 1.00 24.40 H new ATOM 0 HA THR A 21 -6.621 0.533 -3.160 1.00 62.05 H new ATOM 0 HB THR A 21 -7.900 2.600 -4.991 1.00 22.53 H new ATOM 0 HG1 THR A 21 -7.650 3.567 -3.017 1.00 55.42 H new ATOM 0 HG21 THR A 21 -10.113 1.675 -4.326 1.00 14.12 H new ATOM 0 HG22 THR A 21 -9.138 0.498 -5.237 1.00 14.12 H new ATOM 0 HG23 THR A 21 -9.287 0.352 -3.470 1.00 14.12 H new ATOM 332 N ALA A 22 -6.177 0.711 -6.464 1.00 21.50 N ATOM 333 CA ALA A 22 -6.017 -0.065 -7.720 1.00 54.31 C ATOM 334 C ALA A 22 -4.885 -1.116 -7.599 1.00 53.14 C ATOM 335 O ALA A 22 -4.952 -2.196 -8.194 1.00 65.32 O ATOM 336 CB ALA A 22 -5.742 0.891 -8.890 1.00 23.23 C ATOM 0 H ALA A 22 -5.955 1.701 -6.567 1.00 21.50 H new ATOM 0 HA ALA A 22 -6.945 -0.605 -7.907 1.00 54.31 H new ATOM 0 HB1 ALA A 22 -5.625 0.317 -9.809 1.00 23.23 H new ATOM 0 HB2 ALA A 22 -6.577 1.583 -8.998 1.00 23.23 H new ATOM 0 HB3 ALA A 22 -4.828 1.452 -8.694 1.00 23.23 H new ATOM 342 N ALA A 23 -3.853 -0.766 -6.813 1.00 25.41 N ATOM 343 CA ALA A 23 -2.752 -1.683 -6.446 1.00 51.22 C ATOM 344 C ALA A 23 -3.233 -2.798 -5.475 1.00 22.52 C ATOM 345 O ALA A 23 -2.656 -3.882 -5.424 1.00 3.22 O ATOM 346 CB ALA A 23 -1.608 -0.872 -5.826 1.00 71.34 C ATOM 0 H ALA A 23 -3.755 0.166 -6.410 1.00 25.41 H new ATOM 0 HA ALA A 23 -2.397 -2.182 -7.348 1.00 51.22 H new ATOM 0 HB1 ALA A 23 -0.793 -1.542 -5.553 1.00 71.34 H new ATOM 0 HB2 ALA A 23 -1.249 -0.139 -6.548 1.00 71.34 H new ATOM 0 HB3 ALA A 23 -1.968 -0.357 -4.935 1.00 71.34 H new ATOM 352 N LEU A 24 -4.269 -2.493 -4.675 1.00 52.14 N ATOM 353 CA LEU A 24 -4.942 -3.484 -3.795 1.00 1.34 C ATOM 354 C LEU A 24 -6.076 -4.262 -4.534 1.00 70.15 C ATOM 355 O LEU A 24 -6.543 -5.304 -4.049 1.00 34.52 O ATOM 356 CB LEU A 24 -5.487 -2.771 -2.525 1.00 14.20 C ATOM 357 CG LEU A 24 -4.408 -2.073 -1.629 1.00 4.44 C ATOM 358 CD1 LEU A 24 -5.048 -1.341 -0.429 1.00 2.25 C ATOM 359 CD2 LEU A 24 -3.318 -3.072 -1.164 1.00 40.41 C ATOM 0 H LEU A 24 -4.668 -1.556 -4.615 1.00 52.14 H new ATOM 0 HA LEU A 24 -4.202 -4.228 -3.500 1.00 1.34 H new ATOM 0 HB2 LEU A 24 -6.217 -2.023 -2.834 1.00 14.20 H new ATOM 0 HB3 LEU A 24 -6.019 -3.504 -1.918 1.00 14.20 H new ATOM 0 HG LEU A 24 -3.919 -1.320 -2.247 1.00 4.44 H new ATOM 0 HD11 LEU A 24 -4.267 -0.870 0.168 1.00 2.25 H new ATOM 0 HD12 LEU A 24 -5.736 -0.578 -0.793 1.00 2.25 H new ATOM 0 HD13 LEU A 24 -5.593 -2.058 0.186 1.00 2.25 H new ATOM 0 HD21 LEU A 24 -2.587 -2.551 -0.545 1.00 40.41 H new ATOM 0 HD22 LEU A 24 -3.780 -3.871 -0.585 1.00 40.41 H new ATOM 0 HD23 LEU A 24 -2.819 -3.497 -2.035 1.00 40.41 H new ATOM 371 N GLN A 25 -6.522 -3.741 -5.696 1.00 11.31 N ATOM 372 CA GLN A 25 -7.585 -4.372 -6.537 1.00 41.43 C ATOM 373 C GLN A 25 -7.016 -5.071 -7.793 1.00 13.44 C ATOM 374 O GLN A 25 -7.784 -5.676 -8.551 1.00 63.50 O ATOM 375 CB GLN A 25 -8.650 -3.316 -6.955 1.00 60.51 C ATOM 376 CG GLN A 25 -9.585 -2.846 -5.826 1.00 74.41 C ATOM 377 CD GLN A 25 -10.443 -3.977 -5.246 1.00 73.22 C ATOM 378 OE1 GLN A 25 -11.522 -4.275 -5.743 1.00 73.21 O ATOM 379 NE2 GLN A 25 -9.974 -4.608 -4.189 1.00 22.03 N ATOM 0 H GLN A 25 -6.161 -2.870 -6.086 1.00 11.31 H new ATOM 0 HA GLN A 25 -8.053 -5.141 -5.922 1.00 41.43 H new ATOM 0 HB2 GLN A 25 -8.135 -2.447 -7.364 1.00 60.51 H new ATOM 0 HB3 GLN A 25 -9.257 -3.734 -7.758 1.00 60.51 H new ATOM 0 HG2 GLN A 25 -8.988 -2.405 -5.028 1.00 74.41 H new ATOM 0 HG3 GLN A 25 -10.238 -2.061 -6.207 1.00 74.41 H new ATOM 0 HE21 GLN A 25 -9.072 -4.341 -3.794 1.00 22.03 H new ATOM 0 HE22 GLN A 25 -10.512 -5.364 -3.766 1.00 22.03 H new ATOM 388 N THR A 26 -5.684 -5.000 -8.004 1.00 40.52 N ATOM 389 CA THR A 26 -5.009 -5.688 -9.143 1.00 71.40 C ATOM 390 C THR A 26 -5.244 -7.224 -9.104 1.00 73.43 C ATOM 391 O THR A 26 -5.341 -7.883 -10.146 1.00 63.23 O ATOM 392 CB THR A 26 -3.462 -5.387 -9.184 1.00 11.15 C ATOM 393 OG1 THR A 26 -2.854 -6.035 -10.320 1.00 14.15 O ATOM 394 CG2 THR A 26 -2.731 -5.829 -7.902 1.00 61.53 C ATOM 0 H THR A 26 -5.048 -4.475 -7.404 1.00 40.52 H new ATOM 0 HA THR A 26 -5.459 -5.287 -10.051 1.00 71.40 H new ATOM 0 HB THR A 26 -3.363 -4.305 -9.266 1.00 11.15 H new ATOM 0 HG1 THR A 26 -1.894 -5.838 -10.334 1.00 14.15 H new ATOM 0 HG21 THR A 26 -1.670 -5.596 -7.990 1.00 61.53 H new ATOM 0 HG22 THR A 26 -3.149 -5.301 -7.045 1.00 61.53 H new ATOM 0 HG23 THR A 26 -2.856 -6.903 -7.764 1.00 61.53 H new ATOM 402 N ASP A 27 -5.342 -7.769 -7.878 1.00 41.15 N ATOM 403 CA ASP A 27 -5.640 -9.197 -7.628 1.00 52.25 C ATOM 404 C ASP A 27 -7.165 -9.472 -7.533 1.00 21.41 C ATOM 405 O ASP A 27 -7.611 -10.584 -7.827 1.00 3.01 O ATOM 406 CB ASP A 27 -4.943 -9.648 -6.316 1.00 24.10 C ATOM 407 CG ASP A 27 -3.413 -9.557 -6.402 1.00 73.23 C ATOM 408 OD1 ASP A 27 -2.808 -10.405 -7.093 1.00 22.01 O ATOM 409 OD2 ASP A 27 -2.808 -8.644 -5.799 1.00 11.22 O ATOM 0 H ASP A 27 -5.216 -7.228 -7.023 1.00 41.15 H new ATOM 0 HA ASP A 27 -5.259 -9.768 -8.475 1.00 52.25 H new ATOM 0 HB2 ASP A 27 -5.295 -9.029 -5.490 1.00 24.10 H new ATOM 0 HB3 ASP A 27 -5.231 -10.675 -6.090 1.00 24.10 H new ATOM 414 N HIS A 28 -7.940 -8.450 -7.074 1.00 35.44 N ATOM 415 CA HIS A 28 -9.399 -8.564 -6.729 1.00 3.30 C ATOM 416 C HIS A 28 -9.671 -9.548 -5.555 1.00 63.20 C ATOM 417 O HIS A 28 -10.829 -9.791 -5.189 1.00 63.30 O ATOM 418 CB HIS A 28 -10.266 -8.949 -7.969 1.00 23.14 C ATOM 419 CG HIS A 28 -10.212 -7.949 -9.091 1.00 53.41 C ATOM 420 ND1 HIS A 28 -9.461 -8.126 -10.237 1.00 24.22 N ATOM 421 CD2 HIS A 28 -10.841 -6.765 -9.242 1.00 61.24 C ATOM 422 CE1 HIS A 28 -9.617 -7.087 -11.026 1.00 54.15 C ATOM 423 NE2 HIS A 28 -10.453 -6.251 -10.448 1.00 64.34 N ATOM 0 H HIS A 28 -7.571 -7.510 -6.929 1.00 35.44 H new ATOM 0 HA HIS A 28 -9.696 -7.570 -6.396 1.00 3.30 H new ATOM 0 HB2 HIS A 28 -9.935 -9.918 -8.344 1.00 23.14 H new ATOM 0 HB3 HIS A 28 -11.302 -9.067 -7.652 1.00 23.14 H new ATOM 0 HD2 HIS A 28 -11.524 -6.308 -8.541 1.00 61.24 H new ATOM 0 HE1 HIS A 28 -9.141 -6.944 -11.985 1.00 54.15 H new ATOM 0 HE2 HIS A 28 -10.762 -5.361 -10.838 1.00 64.34 H new ATOM 432 N ASP A 29 -8.591 -10.056 -4.938 1.00 65.54 N ATOM 433 CA ASP A 29 -8.654 -11.078 -3.881 1.00 54.31 C ATOM 434 C ASP A 29 -9.172 -10.461 -2.549 1.00 60.33 C ATOM 435 O ASP A 29 -9.719 -11.168 -1.705 1.00 21.13 O ATOM 436 CB ASP A 29 -7.241 -11.705 -3.724 1.00 14.34 C ATOM 437 CG ASP A 29 -7.221 -13.009 -2.908 1.00 2.24 C ATOM 438 OD1 ASP A 29 -7.138 -12.948 -1.669 1.00 34.43 O ATOM 439 OD2 ASP A 29 -7.288 -14.104 -3.510 1.00 72.34 O ATOM 0 H ASP A 29 -7.639 -9.765 -5.162 1.00 65.54 H new ATOM 0 HA ASP A 29 -9.361 -11.862 -4.153 1.00 54.31 H new ATOM 0 HB2 ASP A 29 -6.830 -11.902 -4.714 1.00 14.34 H new ATOM 0 HB3 ASP A 29 -6.584 -10.979 -3.245 1.00 14.34 H new ATOM 444 N HIS A 30 -8.983 -9.124 -2.392 1.00 34.32 N ATOM 445 CA HIS A 30 -9.577 -8.326 -1.284 1.00 74.42 C ATOM 446 C HIS A 30 -11.121 -8.477 -1.230 1.00 31.42 C ATOM 447 O HIS A 30 -11.696 -8.620 -0.152 1.00 61.14 O ATOM 448 CB HIS A 30 -9.171 -6.811 -1.416 1.00 52.31 C ATOM 449 CG HIS A 30 -7.956 -6.415 -0.604 1.00 2.25 C ATOM 450 ND1 HIS A 30 -6.869 -5.742 -1.125 1.00 44.13 N ATOM 451 CD2 HIS A 30 -7.654 -6.629 0.701 1.00 12.12 C ATOM 452 CE1 HIS A 30 -5.965 -5.569 -0.184 1.00 63.23 C ATOM 453 NE2 HIS A 30 -6.414 -6.094 0.931 1.00 44.02 N ATOM 0 H HIS A 30 -8.414 -8.568 -3.030 1.00 34.32 H new ATOM 0 HA HIS A 30 -9.178 -8.715 -0.347 1.00 74.42 H new ATOM 0 HB2 HIS A 30 -8.979 -6.589 -2.466 1.00 52.31 H new ATOM 0 HB3 HIS A 30 -10.015 -6.193 -1.109 1.00 52.31 H new ATOM 0 HD1 HIS A 30 -6.780 -5.427 -2.091 1.00 44.13 H new ATOM 0 HD2 HIS A 30 -8.278 -7.130 1.427 1.00 12.12 H new ATOM 0 HE1 HIS A 30 -5.012 -5.077 -0.309 1.00 63.23 H new ATOM 0 HE2 HIS A 30 -5.920 -6.103 1.824 1.00 44.02 H new ATOM 462 N VAL A 31 -11.758 -8.476 -2.414 1.00 43.41 N ATOM 463 CA VAL A 31 -13.230 -8.631 -2.547 1.00 60.14 C ATOM 464 C VAL A 31 -13.678 -10.069 -2.146 1.00 63.31 C ATOM 465 O VAL A 31 -14.724 -10.253 -1.514 1.00 34.14 O ATOM 466 CB VAL A 31 -13.704 -8.306 -4.018 1.00 65.32 C ATOM 467 CG1 VAL A 31 -15.250 -8.329 -4.151 1.00 55.51 C ATOM 468 CG2 VAL A 31 -13.131 -6.952 -4.504 1.00 31.24 C ATOM 0 H VAL A 31 -11.276 -8.369 -3.306 1.00 43.41 H new ATOM 0 HA VAL A 31 -13.698 -7.919 -1.867 1.00 60.14 H new ATOM 0 HB VAL A 31 -13.311 -9.095 -4.660 1.00 65.32 H new ATOM 0 HG11 VAL A 31 -15.530 -8.100 -5.179 1.00 55.51 H new ATOM 0 HG12 VAL A 31 -15.623 -9.318 -3.885 1.00 55.51 H new ATOM 0 HG13 VAL A 31 -15.684 -7.585 -3.483 1.00 55.51 H new ATOM 0 HG21 VAL A 31 -13.474 -6.755 -5.520 1.00 31.24 H new ATOM 0 HG22 VAL A 31 -13.473 -6.154 -3.844 1.00 31.24 H new ATOM 0 HG23 VAL A 31 -12.042 -6.992 -4.491 1.00 31.24 H new ATOM 478 N ALA A 32 -12.848 -11.073 -2.508 1.00 70.31 N ATOM 479 CA ALA A 32 -13.082 -12.503 -2.170 1.00 62.50 C ATOM 480 C ALA A 32 -12.986 -12.770 -0.640 1.00 70.45 C ATOM 481 O ALA A 32 -13.739 -13.576 -0.090 1.00 22.32 O ATOM 482 CB ALA A 32 -12.086 -13.390 -2.940 1.00 10.33 C ATOM 0 H ALA A 32 -11.994 -10.918 -3.044 1.00 70.31 H new ATOM 0 HA ALA A 32 -14.099 -12.754 -2.471 1.00 62.50 H new ATOM 0 HB1 ALA A 32 -12.261 -14.436 -2.689 1.00 10.33 H new ATOM 0 HB2 ALA A 32 -12.223 -13.246 -4.012 1.00 10.33 H new ATOM 0 HB3 ALA A 32 -11.067 -13.117 -2.665 1.00 10.33 H new ATOM 488 N ILE A 33 -12.039 -12.079 0.025 1.00 41.04 N ATOM 489 CA ILE A 33 -11.866 -12.130 1.503 1.00 54.32 C ATOM 490 C ILE A 33 -12.928 -11.241 2.221 1.00 52.22 C ATOM 491 O ILE A 33 -13.306 -11.498 3.372 1.00 22.03 O ATOM 492 CB ILE A 33 -10.396 -11.674 1.893 1.00 52.32 C ATOM 493 CG1 ILE A 33 -9.345 -12.629 1.232 1.00 74.33 C ATOM 494 CG2 ILE A 33 -10.181 -11.602 3.431 1.00 64.12 C ATOM 495 CD1 ILE A 33 -7.888 -12.256 1.468 1.00 63.21 C ATOM 0 H ILE A 33 -11.369 -11.468 -0.441 1.00 41.04 H new ATOM 0 HA ILE A 33 -12.015 -13.158 1.834 1.00 54.32 H new ATOM 0 HB ILE A 33 -10.257 -10.663 1.511 1.00 52.32 H new ATOM 0 HG12 ILE A 33 -9.510 -13.639 1.607 1.00 74.33 H new ATOM 0 HG13 ILE A 33 -9.527 -12.655 0.158 1.00 74.33 H new ATOM 0 HG21 ILE A 33 -9.159 -11.285 3.641 1.00 64.12 H new ATOM 0 HG22 ILE A 33 -10.879 -10.885 3.863 1.00 64.12 H new ATOM 0 HG23 ILE A 33 -10.353 -12.585 3.869 1.00 64.12 H new ATOM 0 HD11 ILE A 33 -7.242 -12.979 0.970 1.00 63.21 H new ATOM 0 HD12 ILE A 33 -7.697 -11.261 1.066 1.00 63.21 H new ATOM 0 HD13 ILE A 33 -7.680 -12.261 2.538 1.00 63.21 H new ATOM 507 N GLY A 34 -13.416 -10.206 1.517 1.00 45.04 N ATOM 508 CA GLY A 34 -14.350 -9.220 2.085 1.00 24.01 C ATOM 509 C GLY A 34 -13.643 -7.987 2.668 1.00 44.01 C ATOM 510 O GLY A 34 -14.305 -7.087 3.193 1.00 33.14 O ATOM 0 H GLY A 34 -13.175 -10.030 0.542 1.00 45.04 H new ATOM 0 HA2 GLY A 34 -15.046 -8.900 1.310 1.00 24.01 H new ATOM 0 HA3 GLY A 34 -14.941 -9.697 2.867 1.00 24.01 H new ATOM 514 N ALA A 35 -12.298 -7.954 2.576 1.00 33.22 N ATOM 515 CA ALA A 35 -11.475 -6.825 3.053 1.00 3.44 C ATOM 516 C ALA A 35 -11.522 -5.653 2.039 1.00 55.10 C ATOM 517 O ALA A 35 -10.982 -5.770 0.941 1.00 42.22 O ATOM 518 CB ALA A 35 -10.025 -7.304 3.277 1.00 15.42 C ATOM 0 H ALA A 35 -11.751 -8.712 2.168 1.00 33.22 H new ATOM 0 HA ALA A 35 -11.875 -6.462 4.000 1.00 3.44 H new ATOM 0 HB1 ALA A 35 -9.417 -6.471 3.629 1.00 15.42 H new ATOM 0 HB2 ALA A 35 -10.016 -8.100 4.021 1.00 15.42 H new ATOM 0 HB3 ALA A 35 -9.617 -7.680 2.339 1.00 15.42 H new ATOM 524 N ASP A 36 -12.175 -4.531 2.410 1.00 33.13 N ATOM 525 CA ASP A 36 -12.359 -3.373 1.496 1.00 24.14 C ATOM 526 C ASP A 36 -11.024 -2.603 1.303 1.00 51.42 C ATOM 527 O ASP A 36 -10.359 -2.247 2.272 1.00 42.31 O ATOM 528 CB ASP A 36 -13.459 -2.425 2.026 1.00 53.42 C ATOM 529 CG ASP A 36 -14.733 -3.161 2.461 1.00 22.12 C ATOM 530 OD1 ASP A 36 -15.547 -3.532 1.590 1.00 24.13 O ATOM 531 OD2 ASP A 36 -14.919 -3.380 3.688 1.00 41.24 O ATOM 0 H ASP A 36 -12.585 -4.398 3.335 1.00 33.13 H new ATOM 0 HA ASP A 36 -12.675 -3.757 0.526 1.00 24.14 H new ATOM 0 HB2 ASP A 36 -13.067 -1.861 2.872 1.00 53.42 H new ATOM 0 HB3 ASP A 36 -13.712 -1.702 1.250 1.00 53.42 H new ATOM 536 N CYS A 37 -10.655 -2.361 0.042 1.00 32.32 N ATOM 537 CA CYS A 37 -9.345 -1.784 -0.350 1.00 74.42 C ATOM 538 C CYS A 37 -9.198 -0.263 -0.053 1.00 32.23 C ATOM 539 O CYS A 37 -8.087 0.206 0.232 1.00 13.42 O ATOM 540 CB CYS A 37 -9.137 -2.060 -1.848 1.00 44.22 C ATOM 541 SG CYS A 37 -10.554 -1.585 -2.865 1.00 2.34 S ATOM 0 H CYS A 37 -11.260 -2.560 -0.755 1.00 32.32 H new ATOM 0 HA CYS A 37 -8.579 -2.264 0.259 1.00 74.42 H new ATOM 0 HB2 CYS A 37 -8.255 -1.520 -2.191 1.00 44.22 H new ATOM 0 HB3 CYS A 37 -8.936 -3.122 -1.990 1.00 44.22 H new ATOM 0 HG CYS A 37 -11.528 -1.194 -2.097 1.00 2.34 H new ATOM 547 N GLU A 38 -10.312 0.497 -0.120 1.00 33.45 N ATOM 548 CA GLU A 38 -10.289 1.991 -0.017 1.00 52.34 C ATOM 549 C GLU A 38 -9.943 2.478 1.412 1.00 54.13 C ATOM 550 O GLU A 38 -9.189 3.441 1.585 1.00 71.55 O ATOM 551 CB GLU A 38 -11.654 2.582 -0.456 1.00 32.11 C ATOM 552 CG GLU A 38 -12.107 2.126 -1.851 1.00 35.04 C ATOM 553 CD GLU A 38 -13.506 2.633 -2.240 1.00 11.43 C ATOM 554 OE1 GLU A 38 -13.623 3.781 -2.718 1.00 21.24 O ATOM 555 OE2 GLU A 38 -14.491 1.886 -2.064 1.00 32.10 O ATOM 0 H GLU A 38 -11.247 0.108 -0.245 1.00 33.45 H new ATOM 0 HA GLU A 38 -9.503 2.344 -0.685 1.00 52.34 H new ATOM 0 HB2 GLU A 38 -12.413 2.299 0.273 1.00 32.11 H new ATOM 0 HB3 GLU A 38 -11.589 3.670 -0.443 1.00 32.11 H new ATOM 0 HG2 GLU A 38 -11.385 2.474 -2.590 1.00 35.04 H new ATOM 0 HG3 GLU A 38 -12.101 1.037 -1.888 1.00 35.04 H new ATOM 562 N ARG A 39 -10.520 1.800 2.425 1.00 2.55 N ATOM 563 CA ARG A 39 -10.251 2.089 3.857 1.00 60.24 C ATOM 564 C ARG A 39 -8.778 1.783 4.223 1.00 22.34 C ATOM 565 O ARG A 39 -8.184 2.475 5.053 1.00 64.33 O ATOM 566 CB ARG A 39 -11.231 1.276 4.755 1.00 35.53 C ATOM 567 CG ARG A 39 -11.094 -0.256 4.623 1.00 15.04 C ATOM 568 CD ARG A 39 -12.315 -1.038 5.129 1.00 15.42 C ATOM 569 NE ARG A 39 -12.525 -0.935 6.583 1.00 72.23 N ATOM 570 CZ ARG A 39 -13.359 -1.684 7.277 1.00 21.52 C ATOM 571 NH1 ARG A 39 -14.163 -2.534 6.702 1.00 3.33 N ATOM 572 NH2 ARG A 39 -13.404 -1.562 8.562 1.00 61.30 N ATOM 0 H ARG A 39 -11.183 1.039 2.279 1.00 2.55 H new ATOM 0 HA ARG A 39 -10.415 3.152 4.033 1.00 60.24 H new ATOM 0 HB2 ARG A 39 -11.067 1.555 5.796 1.00 35.53 H new ATOM 0 HB3 ARG A 39 -12.253 1.560 4.506 1.00 35.53 H new ATOM 0 HG2 ARG A 39 -10.923 -0.506 3.576 1.00 15.04 H new ATOM 0 HG3 ARG A 39 -10.213 -0.581 5.176 1.00 15.04 H new ATOM 0 HD2 ARG A 39 -13.206 -0.675 4.616 1.00 15.42 H new ATOM 0 HD3 ARG A 39 -12.199 -2.088 4.861 1.00 15.42 H new ATOM 0 HE ARG A 39 -11.986 -0.233 7.090 1.00 72.23 H new ATOM 0 HH11 ARG A 39 -14.158 -2.634 5.687 1.00 3.33 H new ATOM 0 HH12 ARG A 39 -14.797 -3.099 7.267 1.00 3.33 H new ATOM 0 HH21 ARG A 39 -12.797 -0.890 9.032 1.00 61.30 H new ATOM 0 HH22 ARG A 39 -14.046 -2.137 9.107 1.00 61.30 H new ATOM 586 N LEU A 40 -8.198 0.752 3.569 1.00 13.22 N ATOM 587 CA LEU A 40 -6.784 0.366 3.762 1.00 1.13 C ATOM 588 C LEU A 40 -5.845 1.463 3.228 1.00 34.05 C ATOM 589 O LEU A 40 -5.016 1.982 3.968 1.00 2.11 O ATOM 590 CB LEU A 40 -6.478 -0.981 3.057 1.00 70.10 C ATOM 591 CG LEU A 40 -7.368 -2.191 3.470 1.00 72.35 C ATOM 592 CD1 LEU A 40 -7.043 -3.440 2.630 1.00 52.25 C ATOM 593 CD2 LEU A 40 -7.259 -2.496 4.979 1.00 55.23 C ATOM 0 H LEU A 40 -8.694 0.168 2.896 1.00 13.22 H new ATOM 0 HA LEU A 40 -6.613 0.245 4.832 1.00 1.13 H new ATOM 0 HB2 LEU A 40 -6.576 -0.835 1.981 1.00 70.10 H new ATOM 0 HB3 LEU A 40 -5.437 -1.240 3.250 1.00 70.10 H new ATOM 0 HG LEU A 40 -8.401 -1.910 3.268 1.00 72.35 H new ATOM 0 HD11 LEU A 40 -7.682 -4.266 2.944 1.00 52.25 H new ATOM 0 HD12 LEU A 40 -7.219 -3.225 1.576 1.00 52.25 H new ATOM 0 HD13 LEU A 40 -5.998 -3.714 2.775 1.00 52.25 H new ATOM 0 HD21 LEU A 40 -7.895 -3.346 5.225 1.00 55.23 H new ATOM 0 HD22 LEU A 40 -6.225 -2.732 5.229 1.00 55.23 H new ATOM 0 HD23 LEU A 40 -7.580 -1.625 5.550 1.00 55.23 H new ATOM 605 N SER A 41 -6.029 1.823 1.936 1.00 15.14 N ATOM 606 CA SER A 41 -5.204 2.844 1.232 1.00 30.44 C ATOM 607 C SER A 41 -5.283 4.235 1.907 1.00 73.32 C ATOM 608 O SER A 41 -4.313 4.999 1.891 1.00 2.31 O ATOM 609 CB SER A 41 -5.640 2.951 -0.248 1.00 51.40 C ATOM 610 OG SER A 41 -6.990 3.367 -0.368 1.00 75.40 O ATOM 0 H SER A 41 -6.755 1.415 1.347 1.00 15.14 H new ATOM 0 HA SER A 41 -4.167 2.514 1.288 1.00 30.44 H new ATOM 0 HB2 SER A 41 -4.994 3.658 -0.768 1.00 51.40 H new ATOM 0 HB3 SER A 41 -5.512 1.985 -0.736 1.00 51.40 H new ATOM 0 HG SER A 41 -7.339 3.095 -1.242 1.00 75.40 H new ATOM 616 N ALA A 42 -6.451 4.543 2.496 1.00 1.44 N ATOM 617 CA ALA A 42 -6.672 5.783 3.273 1.00 43.12 C ATOM 618 C ALA A 42 -5.833 5.815 4.581 1.00 73.50 C ATOM 619 O ALA A 42 -5.262 6.852 4.936 1.00 32.23 O ATOM 620 CB ALA A 42 -8.168 5.936 3.583 1.00 52.13 C ATOM 0 H ALA A 42 -7.273 3.940 2.449 1.00 1.44 H new ATOM 0 HA ALA A 42 -6.338 6.624 2.665 1.00 43.12 H new ATOM 0 HB1 ALA A 42 -8.329 6.850 4.155 1.00 52.13 H new ATOM 0 HB2 ALA A 42 -8.729 5.988 2.650 1.00 52.13 H new ATOM 0 HB3 ALA A 42 -8.509 5.079 4.164 1.00 52.13 H new ATOM 626 N GLN A 43 -5.769 4.666 5.284 1.00 45.44 N ATOM 627 CA GLN A 43 -4.955 4.518 6.520 1.00 42.34 C ATOM 628 C GLN A 43 -3.430 4.492 6.203 1.00 10.31 C ATOM 629 O GLN A 43 -2.615 4.961 7.013 1.00 33.34 O ATOM 630 CB GLN A 43 -5.357 3.229 7.289 1.00 45.34 C ATOM 631 CG GLN A 43 -6.800 3.186 7.826 1.00 41.51 C ATOM 632 CD GLN A 43 -7.086 4.227 8.910 1.00 61.32 C ATOM 633 OE1 GLN A 43 -7.520 5.342 8.630 1.00 20.34 O ATOM 634 NE2 GLN A 43 -6.827 3.878 10.155 1.00 22.55 N ATOM 0 H GLN A 43 -6.272 3.819 5.019 1.00 45.44 H new ATOM 0 HA GLN A 43 -5.156 5.386 7.147 1.00 42.34 H new ATOM 0 HB2 GLN A 43 -5.211 2.375 6.628 1.00 45.34 H new ATOM 0 HB3 GLN A 43 -4.674 3.103 8.129 1.00 45.34 H new ATOM 0 HG2 GLN A 43 -7.491 3.339 6.997 1.00 41.51 H new ATOM 0 HG3 GLN A 43 -6.999 2.192 8.228 1.00 41.51 H new ATOM 0 HE21 GLN A 43 -6.467 2.946 10.359 1.00 22.55 H new ATOM 0 HE22 GLN A 43 -6.986 4.540 10.914 1.00 22.55 H new ATOM 643 N ILE A 44 -3.060 3.916 5.029 1.00 35.11 N ATOM 644 CA ILE A 44 -1.667 3.942 4.506 1.00 4.41 C ATOM 645 C ILE A 44 -1.228 5.401 4.254 1.00 2.41 C ATOM 646 O ILE A 44 -0.121 5.821 4.630 1.00 51.12 O ATOM 647 CB ILE A 44 -1.521 3.122 3.152 1.00 73.31 C ATOM 648 CG1 ILE A 44 -1.933 1.626 3.340 1.00 65.14 C ATOM 649 CG2 ILE A 44 -0.078 3.215 2.578 1.00 73.13 C ATOM 650 CD1 ILE A 44 -1.961 0.789 2.060 1.00 14.12 C ATOM 0 H ILE A 44 -3.714 3.423 4.421 1.00 35.11 H new ATOM 0 HA ILE A 44 -1.032 3.475 5.259 1.00 4.41 H new ATOM 0 HB ILE A 44 -2.203 3.577 2.433 1.00 73.31 H new ATOM 0 HG12 ILE A 44 -1.241 1.162 4.043 1.00 65.14 H new ATOM 0 HG13 ILE A 44 -2.922 1.594 3.797 1.00 65.14 H new ATOM 0 HG21 ILE A 44 -0.017 2.642 1.653 1.00 73.13 H new ATOM 0 HG22 ILE A 44 0.167 4.258 2.376 1.00 73.13 H new ATOM 0 HG23 ILE A 44 0.629 2.810 3.303 1.00 73.13 H new ATOM 0 HD11 ILE A 44 -2.258 -0.232 2.299 1.00 14.12 H new ATOM 0 HD12 ILE A 44 -2.676 1.220 1.359 1.00 14.12 H new ATOM 0 HD13 ILE A 44 -0.969 0.782 1.608 1.00 14.12 H new ATOM 662 N GLU A 45 -2.125 6.171 3.618 1.00 51.01 N ATOM 663 CA GLU A 45 -1.854 7.565 3.246 1.00 71.42 C ATOM 664 C GLU A 45 -1.782 8.481 4.488 1.00 41.02 C ATOM 665 O GLU A 45 -0.964 9.383 4.536 1.00 32.10 O ATOM 666 CB GLU A 45 -2.899 8.075 2.213 1.00 3.22 C ATOM 667 CG GLU A 45 -2.584 9.457 1.585 1.00 62.35 C ATOM 668 CD GLU A 45 -1.154 9.559 0.998 1.00 13.21 C ATOM 669 OE1 GLU A 45 -0.808 8.750 0.103 1.00 61.24 O ATOM 670 OE2 GLU A 45 -0.376 10.449 1.422 1.00 24.22 O ATOM 0 H GLU A 45 -3.053 5.845 3.349 1.00 51.01 H new ATOM 0 HA GLU A 45 -0.874 7.600 2.770 1.00 71.42 H new ATOM 0 HB2 GLU A 45 -2.983 7.340 1.412 1.00 3.22 H new ATOM 0 HB3 GLU A 45 -3.872 8.128 2.701 1.00 3.22 H new ATOM 0 HG2 GLU A 45 -3.307 9.662 0.796 1.00 62.35 H new ATOM 0 HG3 GLU A 45 -2.713 10.229 2.343 1.00 62.35 H new ATOM 677 N GLU A 46 -2.593 8.185 5.515 1.00 12.42 N ATOM 678 CA GLU A 46 -2.689 9.011 6.747 1.00 51.42 C ATOM 679 C GLU A 46 -1.339 9.157 7.520 1.00 12.54 C ATOM 680 O GLU A 46 -1.072 10.213 8.111 1.00 71.03 O ATOM 681 CB GLU A 46 -3.826 8.464 7.678 1.00 14.04 C ATOM 682 CG GLU A 46 -5.042 9.411 7.820 1.00 72.13 C ATOM 683 CD GLU A 46 -4.730 10.672 8.664 1.00 72.35 C ATOM 684 OE1 GLU A 46 -4.103 11.623 8.147 1.00 12.43 O ATOM 685 OE2 GLU A 46 -5.074 10.700 9.862 1.00 32.13 O ATOM 0 H GLU A 46 -3.204 7.368 5.523 1.00 12.42 H new ATOM 0 HA GLU A 46 -2.942 10.021 6.424 1.00 51.42 H new ATOM 0 HB2 GLU A 46 -4.170 7.506 7.288 1.00 14.04 H new ATOM 0 HB3 GLU A 46 -3.410 8.275 8.668 1.00 14.04 H new ATOM 0 HG2 GLU A 46 -5.375 9.717 6.828 1.00 72.13 H new ATOM 0 HG3 GLU A 46 -5.867 8.868 8.280 1.00 72.13 H new ATOM 692 N CYS A 47 -0.501 8.104 7.513 1.00 71.21 N ATOM 693 CA CYS A 47 0.824 8.134 8.190 1.00 5.31 C ATOM 694 C CYS A 47 1.878 8.939 7.374 1.00 51.01 C ATOM 695 O CYS A 47 2.564 9.815 7.916 1.00 31.13 O ATOM 696 CB CYS A 47 1.327 6.696 8.450 1.00 34.41 C ATOM 697 SG CYS A 47 0.310 5.745 9.613 1.00 13.44 S ATOM 0 H CYS A 47 -0.711 7.220 7.049 1.00 71.21 H new ATOM 0 HA CYS A 47 0.692 8.644 9.144 1.00 5.31 H new ATOM 0 HB2 CYS A 47 1.368 6.161 7.501 1.00 34.41 H new ATOM 0 HB3 CYS A 47 2.346 6.744 8.833 1.00 34.41 H new ATOM 0 HG CYS A 47 1.073 5.210 10.520 1.00 13.44 H new ATOM 703 N ILE A 48 1.987 8.635 6.066 1.00 3.43 N ATOM 704 CA ILE A 48 2.986 9.264 5.151 1.00 14.13 C ATOM 705 C ILE A 48 2.661 10.759 4.854 1.00 41.31 C ATOM 706 O ILE A 48 3.567 11.586 4.740 1.00 4.33 O ATOM 707 CB ILE A 48 3.087 8.459 3.793 1.00 3.35 C ATOM 708 CG1 ILE A 48 4.120 9.103 2.809 1.00 4.55 C ATOM 709 CG2 ILE A 48 1.703 8.310 3.125 1.00 24.41 C ATOM 710 CD1 ILE A 48 4.153 8.514 1.407 1.00 62.24 C ATOM 0 H ILE A 48 1.390 7.948 5.605 1.00 3.43 H new ATOM 0 HA ILE A 48 3.946 9.229 5.666 1.00 14.13 H new ATOM 0 HB ILE A 48 3.451 7.461 4.039 1.00 3.35 H new ATOM 0 HG12 ILE A 48 3.903 10.168 2.730 1.00 4.55 H new ATOM 0 HG13 ILE A 48 5.115 9.011 3.245 1.00 4.55 H new ATOM 0 HG21 ILE A 48 1.806 7.752 2.194 1.00 24.41 H new ATOM 0 HG22 ILE A 48 1.031 7.775 3.796 1.00 24.41 H new ATOM 0 HG23 ILE A 48 1.293 9.297 2.913 1.00 24.41 H new ATOM 0 HD11 ILE A 48 4.903 9.034 0.811 1.00 62.24 H new ATOM 0 HD12 ILE A 48 4.405 7.455 1.463 1.00 62.24 H new ATOM 0 HD13 ILE A 48 3.175 8.630 0.941 1.00 62.24 H new ATOM 722 N PHE A 49 1.357 11.078 4.782 1.00 71.32 N ATOM 723 CA PHE A 49 0.830 12.407 4.362 1.00 42.44 C ATOM 724 C PHE A 49 1.348 13.575 5.239 1.00 41.51 C ATOM 725 O PHE A 49 1.409 14.729 4.795 1.00 25.21 O ATOM 726 CB PHE A 49 -0.720 12.364 4.388 1.00 30.25 C ATOM 727 CG PHE A 49 -1.427 13.602 3.837 1.00 60.12 C ATOM 728 CD1 PHE A 49 -1.387 13.890 2.474 1.00 23.30 C ATOM 729 CD2 PHE A 49 -2.132 14.466 4.675 1.00 0.31 C ATOM 730 CE1 PHE A 49 -2.027 15.003 1.970 1.00 20.21 C ATOM 731 CE2 PHE A 49 -2.773 15.577 4.165 1.00 14.23 C ATOM 732 CZ PHE A 49 -2.720 15.846 2.813 1.00 61.54 C ATOM 0 H PHE A 49 0.619 10.414 5.016 1.00 71.32 H new ATOM 0 HA PHE A 49 1.194 12.601 3.353 1.00 42.44 H new ATOM 0 HB2 PHE A 49 -1.051 11.496 3.818 1.00 30.25 H new ATOM 0 HB3 PHE A 49 -1.044 12.212 5.418 1.00 30.25 H new ATOM 0 HD1 PHE A 49 -0.849 13.235 1.805 1.00 23.30 H new ATOM 0 HD2 PHE A 49 -2.177 14.263 5.735 1.00 0.31 H new ATOM 0 HE1 PHE A 49 -1.985 15.215 0.912 1.00 20.21 H new ATOM 0 HE2 PHE A 49 -3.317 16.236 4.825 1.00 14.23 H new ATOM 0 HZ PHE A 49 -3.221 16.716 2.415 1.00 61.54 H new ATOM 742 N ARG A 50 1.715 13.249 6.480 1.00 1.13 N ATOM 743 CA ARG A 50 2.202 14.224 7.467 1.00 14.50 C ATOM 744 C ARG A 50 3.579 14.812 7.052 1.00 24.33 C ATOM 745 O ARG A 50 3.776 16.034 7.045 1.00 75.43 O ATOM 746 CB ARG A 50 2.292 13.531 8.858 1.00 43.30 C ATOM 747 CG ARG A 50 1.010 12.764 9.285 1.00 43.11 C ATOM 748 CD ARG A 50 -0.259 13.635 9.214 1.00 42.13 C ATOM 749 NE ARG A 50 -1.461 12.915 9.680 1.00 14.21 N ATOM 750 CZ ARG A 50 -1.979 13.008 10.887 1.00 45.41 C ATOM 751 NH1 ARG A 50 -1.383 13.689 11.824 1.00 33.10 N ATOM 752 NH2 ARG A 50 -3.091 12.406 11.154 1.00 41.41 N ATOM 0 H ARG A 50 1.683 12.293 6.835 1.00 1.13 H new ATOM 0 HA ARG A 50 1.502 15.058 7.518 1.00 14.50 H new ATOM 0 HB2 ARG A 50 3.130 12.834 8.848 1.00 43.30 H new ATOM 0 HB3 ARG A 50 2.515 14.286 9.611 1.00 43.30 H new ATOM 0 HG2 ARG A 50 0.883 11.892 8.643 1.00 43.11 H new ATOM 0 HG3 ARG A 50 1.135 12.395 10.303 1.00 43.11 H new ATOM 0 HD2 ARG A 50 -0.117 14.530 9.820 1.00 42.13 H new ATOM 0 HD3 ARG A 50 -0.412 13.966 8.187 1.00 42.13 H new ATOM 0 HE ARG A 50 -1.926 12.297 9.015 1.00 14.21 H new ATOM 0 HH11 ARG A 50 -0.500 14.161 11.628 1.00 33.10 H new ATOM 0 HH12 ARG A 50 -1.799 13.750 12.753 1.00 33.10 H new ATOM 0 HH21 ARG A 50 -3.563 11.862 10.431 1.00 41.41 H new ATOM 0 HH22 ARG A 50 -3.497 12.475 12.087 1.00 41.41 H new ATOM 766 N ASP A 51 4.523 13.917 6.723 1.00 22.45 N ATOM 767 CA ASP A 51 5.921 14.280 6.365 1.00 55.20 C ATOM 768 C ASP A 51 6.106 14.526 4.845 1.00 21.52 C ATOM 769 O ASP A 51 6.733 15.505 4.425 1.00 31.23 O ATOM 770 CB ASP A 51 6.866 13.146 6.829 1.00 35.44 C ATOM 771 CG ASP A 51 6.669 12.791 8.310 1.00 43.53 C ATOM 772 OD1 ASP A 51 7.249 13.479 9.172 1.00 24.14 O ATOM 773 OD2 ASP A 51 5.912 11.841 8.618 1.00 32.42 O ATOM 0 H ASP A 51 4.346 12.913 6.695 1.00 22.45 H new ATOM 0 HA ASP A 51 6.161 15.217 6.868 1.00 55.20 H new ATOM 0 HB2 ASP A 51 6.692 12.259 6.219 1.00 35.44 H new ATOM 0 HB3 ASP A 51 7.900 13.448 6.665 1.00 35.44 H new ATOM 778 N VAL A 52 5.576 13.595 4.040 1.00 22.40 N ATOM 779 CA VAL A 52 5.805 13.525 2.572 1.00 24.11 C ATOM 780 C VAL A 52 4.603 14.070 1.752 1.00 55.21 C ATOM 781 O VAL A 52 4.772 14.438 0.588 1.00 32.32 O ATOM 782 CB VAL A 52 6.114 12.032 2.158 1.00 53.41 C ATOM 783 CG1 VAL A 52 6.413 11.871 0.650 1.00 10.21 C ATOM 784 CG2 VAL A 52 7.271 11.453 2.998 1.00 60.42 C ATOM 0 H VAL A 52 4.966 12.854 4.386 1.00 22.40 H new ATOM 0 HA VAL A 52 6.658 14.163 2.342 1.00 24.11 H new ATOM 0 HB VAL A 52 5.205 11.466 2.363 1.00 53.41 H new ATOM 0 HG11 VAL A 52 6.617 10.823 0.429 1.00 10.21 H new ATOM 0 HG12 VAL A 52 5.551 12.203 0.071 1.00 10.21 H new ATOM 0 HG13 VAL A 52 7.282 12.474 0.385 1.00 10.21 H new ATOM 0 HG21 VAL A 52 7.463 10.424 2.693 1.00 60.42 H new ATOM 0 HG22 VAL A 52 8.169 12.051 2.842 1.00 60.42 H new ATOM 0 HG23 VAL A 52 7.000 11.474 4.054 1.00 60.42 H new ATOM 794 N GLY A 53 3.407 14.175 2.374 1.00 54.42 N ATOM 795 CA GLY A 53 2.166 14.587 1.666 1.00 1.50 C ATOM 796 C GLY A 53 2.058 16.090 1.314 1.00 42.21 C ATOM 797 O GLY A 53 0.959 16.638 1.236 1.00 73.41 O ATOM 0 H GLY A 53 3.271 13.981 3.366 1.00 54.42 H new ATOM 0 HA2 GLY A 53 2.088 14.011 0.744 1.00 1.50 H new ATOM 0 HA3 GLY A 53 1.310 14.316 2.285 1.00 1.50 H new ATOM 801 N ASN A 54 3.210 16.733 1.078 1.00 43.00 N ATOM 802 CA ASN A 54 3.340 18.140 0.627 1.00 70.25 C ATOM 803 C ASN A 54 3.177 18.290 -0.922 1.00 20.00 C ATOM 804 O ASN A 54 3.410 19.377 -1.463 1.00 62.55 O ATOM 805 CB ASN A 54 4.729 18.685 1.089 1.00 3.24 C ATOM 806 CG ASN A 54 5.906 17.737 0.777 1.00 50.31 C ATOM 807 OD1 ASN A 54 5.889 16.980 -0.185 1.00 23.44 O ATOM 808 ND2 ASN A 54 6.936 17.758 1.596 1.00 23.35 N ATOM 0 H ASN A 54 4.115 16.277 1.198 1.00 43.00 H new ATOM 0 HA ASN A 54 2.535 18.721 1.077 1.00 70.25 H new ATOM 0 HB2 ASN A 54 4.911 19.645 0.606 1.00 3.24 H new ATOM 0 HB3 ASN A 54 4.698 18.869 2.163 1.00 3.24 H new ATOM 0 HD21 ASN A 54 7.730 17.140 1.432 1.00 23.35 H new ATOM 0 HD22 ASN A 54 6.940 18.393 2.394 1.00 23.35 H new ATOM 815 N THR A 55 2.817 17.173 -1.612 1.00 30.23 N ATOM 816 CA THR A 55 2.573 17.100 -3.092 1.00 74.00 C ATOM 817 C THR A 55 3.826 17.453 -3.943 1.00 43.15 C ATOM 818 O THR A 55 3.719 17.765 -5.134 1.00 53.05 O ATOM 819 CB THR A 55 1.318 17.942 -3.561 1.00 21.13 C ATOM 820 OG1 THR A 55 1.567 19.364 -3.527 1.00 2.30 O ATOM 821 CG2 THR A 55 0.087 17.632 -2.695 1.00 12.10 C ATOM 0 H THR A 55 2.684 16.274 -1.150 1.00 30.23 H new ATOM 0 HA THR A 55 2.345 16.050 -3.277 1.00 74.00 H new ATOM 0 HB THR A 55 1.126 17.649 -4.593 1.00 21.13 H new ATOM 0 HG1 THR A 55 2.301 19.553 -2.905 1.00 2.30 H new ATOM 0 HG21 THR A 55 -0.760 18.225 -3.041 1.00 12.10 H new ATOM 0 HG22 THR A 55 -0.156 16.572 -2.774 1.00 12.10 H new ATOM 0 HG23 THR A 55 0.302 17.878 -1.655 1.00 12.10 H new ATOM 829 N ASP A 56 5.009 17.323 -3.324 1.00 71.31 N ATOM 830 CA ASP A 56 6.316 17.599 -3.960 1.00 70.24 C ATOM 831 C ASP A 56 6.744 16.427 -4.891 1.00 71.11 C ATOM 832 O ASP A 56 6.114 15.362 -4.896 1.00 21.51 O ATOM 833 CB ASP A 56 7.354 17.830 -2.825 1.00 20.00 C ATOM 834 CG ASP A 56 8.722 18.334 -3.301 1.00 72.31 C ATOM 835 OD1 ASP A 56 8.851 19.541 -3.587 1.00 35.12 O ATOM 836 OD2 ASP A 56 9.672 17.524 -3.407 1.00 65.40 O ATOM 0 H ASP A 56 5.091 17.019 -2.354 1.00 71.31 H new ATOM 0 HA ASP A 56 6.250 18.486 -4.590 1.00 70.24 H new ATOM 0 HB2 ASP A 56 6.943 18.549 -2.116 1.00 20.00 H new ATOM 0 HB3 ASP A 56 7.495 16.894 -2.284 1.00 20.00 H new ATOM 841 N MET A 57 7.819 16.651 -5.672 1.00 41.42 N ATOM 842 CA MET A 57 8.491 15.619 -6.506 1.00 65.45 C ATOM 843 C MET A 57 8.858 14.344 -5.684 1.00 70.35 C ATOM 844 O MET A 57 8.803 13.223 -6.203 1.00 21.40 O ATOM 845 CB MET A 57 9.758 16.274 -7.123 1.00 20.34 C ATOM 846 CG MET A 57 10.573 15.403 -8.083 1.00 22.24 C ATOM 847 SD MET A 57 11.961 16.308 -8.819 1.00 63.13 S ATOM 848 CE MET A 57 11.128 17.621 -9.725 1.00 34.43 C ATOM 0 H MET A 57 8.257 17.569 -5.747 1.00 41.42 H new ATOM 0 HA MET A 57 7.812 15.281 -7.289 1.00 65.45 H new ATOM 0 HB2 MET A 57 9.453 17.175 -7.654 1.00 20.34 H new ATOM 0 HB3 MET A 57 10.411 16.589 -6.309 1.00 20.34 H new ATOM 0 HG2 MET A 57 10.952 14.532 -7.548 1.00 22.24 H new ATOM 0 HG3 MET A 57 9.923 15.032 -8.875 1.00 22.24 H new ATOM 0 HE1 MET A 57 11.792 18.007 -10.499 1.00 34.43 H new ATOM 0 HE2 MET A 57 10.223 17.227 -10.187 1.00 34.43 H new ATOM 0 HE3 MET A 57 10.864 18.426 -9.039 1.00 34.43 H new ATOM 858 N LYS A 58 9.225 14.556 -4.399 1.00 1.05 N ATOM 859 CA LYS A 58 9.442 13.474 -3.402 1.00 11.43 C ATOM 860 C LYS A 58 8.207 12.539 -3.293 1.00 32.43 C ATOM 861 O LYS A 58 8.314 11.316 -3.405 1.00 40.14 O ATOM 862 CB LYS A 58 9.718 14.114 -2.005 1.00 52.21 C ATOM 863 CG LYS A 58 9.884 13.100 -0.836 1.00 42.41 C ATOM 864 CD LYS A 58 9.686 13.743 0.565 1.00 24.33 C ATOM 865 CE LYS A 58 10.729 14.811 0.909 1.00 1.43 C ATOM 866 NZ LYS A 58 12.084 14.229 1.085 1.00 60.24 N ATOM 0 H LYS A 58 9.381 15.490 -4.019 1.00 1.05 H new ATOM 0 HA LYS A 58 10.293 12.878 -3.730 1.00 11.43 H new ATOM 0 HB2 LYS A 58 10.622 14.719 -2.072 1.00 52.21 H new ATOM 0 HB3 LYS A 58 8.898 14.791 -1.764 1.00 52.21 H new ATOM 0 HG2 LYS A 58 9.166 12.290 -0.962 1.00 42.41 H new ATOM 0 HG3 LYS A 58 10.878 12.656 -0.887 1.00 42.41 H new ATOM 0 HD2 LYS A 58 8.693 14.190 0.612 1.00 24.33 H new ATOM 0 HD3 LYS A 58 9.719 12.959 1.322 1.00 24.33 H new ATOM 0 HE2 LYS A 58 10.756 15.560 0.117 1.00 1.43 H new ATOM 0 HE3 LYS A 58 10.434 15.325 1.824 1.00 1.43 H new ATOM 0 HZ1 LYS A 58 12.756 14.983 1.333 1.00 60.24 H new ATOM 0 HZ2 LYS A 58 12.061 13.521 1.846 1.00 60.24 H new ATOM 0 HZ3 LYS A 58 12.385 13.775 0.199 1.00 60.24 H new ATOM 880 N TYR A 59 7.037 13.167 -3.102 1.00 75.22 N ATOM 881 CA TYR A 59 5.748 12.482 -2.866 1.00 24.22 C ATOM 882 C TYR A 59 5.277 11.687 -4.100 1.00 72.41 C ATOM 883 O TYR A 59 4.748 10.580 -3.968 1.00 2.02 O ATOM 884 CB TYR A 59 4.711 13.551 -2.439 1.00 31.43 C ATOM 885 CG TYR A 59 3.275 13.054 -2.170 1.00 24.31 C ATOM 886 CD1 TYR A 59 3.002 12.147 -1.139 1.00 5.42 C ATOM 887 CD2 TYR A 59 2.196 13.522 -2.922 1.00 0.31 C ATOM 888 CE1 TYR A 59 1.708 11.728 -0.882 1.00 50.25 C ATOM 889 CE2 TYR A 59 0.907 13.112 -2.662 1.00 53.11 C ATOM 890 CZ TYR A 59 0.665 12.219 -1.644 1.00 40.01 C ATOM 891 OH TYR A 59 -0.626 11.817 -1.391 1.00 21.31 O ATOM 0 H TYR A 59 6.954 14.184 -3.107 1.00 75.22 H new ATOM 0 HA TYR A 59 5.867 11.744 -2.073 1.00 24.22 H new ATOM 0 HB2 TYR A 59 5.077 14.039 -1.536 1.00 31.43 H new ATOM 0 HB3 TYR A 59 4.667 14.313 -3.217 1.00 31.43 H new ATOM 0 HD1 TYR A 59 3.813 11.768 -0.535 1.00 5.42 H new ATOM 0 HD2 TYR A 59 2.376 14.221 -3.725 1.00 0.31 H new ATOM 0 HE1 TYR A 59 1.514 11.020 -0.089 1.00 50.25 H new ATOM 0 HE2 TYR A 59 0.088 13.491 -3.256 1.00 53.11 H new ATOM 0 HH TYR A 59 -1.100 11.688 -2.239 1.00 21.31 H new ATOM 901 N LYS A 60 5.512 12.253 -5.292 1.00 51.34 N ATOM 902 CA LYS A 60 5.142 11.616 -6.578 1.00 64.41 C ATOM 903 C LYS A 60 5.932 10.301 -6.792 1.00 21.42 C ATOM 904 O LYS A 60 5.358 9.270 -7.164 1.00 24.24 O ATOM 905 CB LYS A 60 5.394 12.599 -7.754 1.00 75.21 C ATOM 906 CG LYS A 60 4.744 13.989 -7.576 1.00 35.10 C ATOM 907 CD LYS A 60 3.207 13.932 -7.396 1.00 74.23 C ATOM 908 CE LYS A 60 2.595 15.319 -7.124 1.00 44.43 C ATOM 909 NZ LYS A 60 2.912 16.297 -8.200 1.00 50.15 N ATOM 0 H LYS A 60 5.962 13.162 -5.399 1.00 51.34 H new ATOM 0 HA LYS A 60 4.081 11.370 -6.546 1.00 64.41 H new ATOM 0 HB2 LYS A 60 6.469 12.728 -7.880 1.00 75.21 H new ATOM 0 HB3 LYS A 60 5.017 12.150 -8.673 1.00 75.21 H new ATOM 0 HG2 LYS A 60 5.186 14.480 -6.709 1.00 35.10 H new ATOM 0 HG3 LYS A 60 4.978 14.605 -8.444 1.00 35.10 H new ATOM 0 HD2 LYS A 60 2.755 13.508 -8.292 1.00 74.23 H new ATOM 0 HD3 LYS A 60 2.965 13.263 -6.570 1.00 74.23 H new ATOM 0 HE2 LYS A 60 1.513 15.224 -7.029 1.00 44.43 H new ATOM 0 HE3 LYS A 60 2.966 15.697 -6.171 1.00 44.43 H new ATOM 0 HZ1 LYS A 60 2.397 17.184 -8.026 1.00 50.15 H new ATOM 0 HZ2 LYS A 60 3.935 16.486 -8.207 1.00 50.15 H new ATOM 0 HZ3 LYS A 60 2.626 15.906 -9.120 1.00 50.15 H new ATOM 923 N ASN A 61 7.253 10.362 -6.515 1.00 63.30 N ATOM 924 CA ASN A 61 8.160 9.197 -6.616 1.00 3.21 C ATOM 925 C ASN A 61 7.843 8.131 -5.527 1.00 11.42 C ATOM 926 O ASN A 61 7.875 6.930 -5.791 1.00 71.11 O ATOM 927 CB ASN A 61 9.636 9.672 -6.512 1.00 13.24 C ATOM 928 CG ASN A 61 10.661 8.562 -6.800 1.00 3.03 C ATOM 929 OD1 ASN A 61 11.063 8.351 -7.942 1.00 5.34 O ATOM 930 ND2 ASN A 61 11.087 7.839 -5.778 1.00 22.43 N ATOM 0 H ASN A 61 7.720 11.218 -6.216 1.00 63.30 H new ATOM 0 HA ASN A 61 8.005 8.723 -7.585 1.00 3.21 H new ATOM 0 HB2 ASN A 61 9.795 10.493 -7.212 1.00 13.24 H new ATOM 0 HB3 ASN A 61 9.812 10.067 -5.512 1.00 13.24 H new ATOM 0 HD21 ASN A 61 11.762 7.090 -5.930 1.00 22.43 H new ATOM 0 HD22 ASN A 61 10.741 8.031 -4.838 1.00 22.43 H new ATOM 937 N ARG A 62 7.519 8.602 -4.313 1.00 12.54 N ATOM 938 CA ARG A 62 7.266 7.737 -3.134 1.00 52.12 C ATOM 939 C ARG A 62 5.968 6.882 -3.282 1.00 74.32 C ATOM 940 O ARG A 62 5.958 5.687 -2.936 1.00 43.42 O ATOM 941 CB ARG A 62 7.214 8.630 -1.863 1.00 1.44 C ATOM 942 CG ARG A 62 7.044 7.886 -0.517 1.00 64.35 C ATOM 943 CD ARG A 62 8.163 6.874 -0.203 1.00 3.14 C ATOM 944 NE ARG A 62 7.985 6.305 1.150 1.00 33.42 N ATOM 945 CZ ARG A 62 8.099 5.038 1.491 1.00 12.30 C ATOM 946 NH1 ARG A 62 8.419 4.119 0.627 1.00 51.50 N ATOM 947 NH2 ARG A 62 7.896 4.699 2.723 1.00 70.04 N ATOM 0 H ARG A 62 7.423 9.598 -4.113 1.00 12.54 H new ATOM 0 HA ARG A 62 8.083 7.020 -3.050 1.00 52.12 H new ATOM 0 HB2 ARG A 62 8.132 9.217 -1.818 1.00 1.44 H new ATOM 0 HB3 ARG A 62 6.390 9.335 -1.972 1.00 1.44 H new ATOM 0 HG2 ARG A 62 6.999 8.621 0.287 1.00 64.35 H new ATOM 0 HG3 ARG A 62 6.088 7.362 -0.524 1.00 64.35 H new ATOM 0 HD2 ARG A 62 8.156 6.074 -0.944 1.00 3.14 H new ATOM 0 HD3 ARG A 62 9.134 7.364 -0.272 1.00 3.14 H new ATOM 0 HE ARG A 62 7.750 6.961 1.895 1.00 33.42 H new ATOM 0 HH11 ARG A 62 8.590 4.371 -0.346 1.00 51.50 H new ATOM 0 HH12 ARG A 62 8.499 3.146 0.923 1.00 51.50 H new ATOM 0 HH21 ARG A 62 7.652 5.409 3.414 1.00 70.04 H new ATOM 0 HH22 ARG A 62 7.980 3.722 3.004 1.00 70.04 H new ATOM 961 N VAL A 63 4.882 7.501 -3.788 1.00 53.24 N ATOM 962 CA VAL A 63 3.588 6.805 -4.009 1.00 43.13 C ATOM 963 C VAL A 63 3.704 5.746 -5.140 1.00 2.22 C ATOM 964 O VAL A 63 3.276 4.600 -4.958 1.00 23.13 O ATOM 965 CB VAL A 63 2.413 7.820 -4.322 1.00 5.32 C ATOM 966 CG1 VAL A 63 1.079 7.090 -4.640 1.00 25.12 C ATOM 967 CG2 VAL A 63 2.212 8.807 -3.146 1.00 42.00 C ATOM 0 H VAL A 63 4.871 8.486 -4.054 1.00 53.24 H new ATOM 0 HA VAL A 63 3.344 6.293 -3.078 1.00 43.13 H new ATOM 0 HB VAL A 63 2.704 8.379 -5.211 1.00 5.32 H new ATOM 0 HG11 VAL A 63 0.302 7.826 -4.848 1.00 25.12 H new ATOM 0 HG12 VAL A 63 1.214 6.448 -5.511 1.00 25.12 H new ATOM 0 HG13 VAL A 63 0.784 6.483 -3.784 1.00 25.12 H new ATOM 0 HG21 VAL A 63 1.400 9.495 -3.383 1.00 42.00 H new ATOM 0 HG22 VAL A 63 1.964 8.250 -2.242 1.00 42.00 H new ATOM 0 HG23 VAL A 63 3.130 9.372 -2.984 1.00 42.00 H new ATOM 977 N ARG A 64 4.312 6.128 -6.290 1.00 52.04 N ATOM 978 CA ARG A 64 4.468 5.214 -7.460 1.00 3.10 C ATOM 979 C ARG A 64 5.391 4.004 -7.139 1.00 23.22 C ATOM 980 O ARG A 64 5.226 2.925 -7.720 1.00 21.32 O ATOM 981 CB ARG A 64 4.949 5.982 -8.726 1.00 13.22 C ATOM 982 CG ARG A 64 6.388 6.527 -8.666 1.00 11.33 C ATOM 983 CD ARG A 64 6.782 7.346 -9.909 1.00 63.22 C ATOM 984 NE ARG A 64 8.168 7.854 -9.832 1.00 13.02 N ATOM 985 CZ ARG A 64 8.717 8.711 -10.675 1.00 54.22 C ATOM 986 NH1 ARG A 64 8.038 9.215 -11.656 1.00 22.10 N ATOM 987 NH2 ARG A 64 9.951 9.065 -10.526 1.00 33.41 N ATOM 0 H ARG A 64 4.703 7.059 -6.437 1.00 52.04 H new ATOM 0 HA ARG A 64 3.480 4.808 -7.679 1.00 3.10 H new ATOM 0 HB2 ARG A 64 4.867 5.317 -9.586 1.00 13.22 H new ATOM 0 HB3 ARG A 64 4.270 6.817 -8.903 1.00 13.22 H new ATOM 0 HG2 ARG A 64 6.496 7.151 -7.779 1.00 11.33 H new ATOM 0 HG3 ARG A 64 7.081 5.693 -8.555 1.00 11.33 H new ATOM 0 HD2 ARG A 64 6.674 6.726 -10.799 1.00 63.22 H new ATOM 0 HD3 ARG A 64 6.096 8.185 -10.020 1.00 63.22 H new ATOM 0 HE ARG A 64 8.749 7.515 -9.065 1.00 13.02 H new ATOM 0 HH11 ARG A 64 7.061 8.952 -11.789 1.00 22.10 H new ATOM 0 HH12 ARG A 64 8.480 9.875 -12.296 1.00 22.10 H new ATOM 0 HH21 ARG A 64 10.502 8.683 -9.757 1.00 33.41 H new ATOM 0 HH22 ARG A 64 10.374 9.726 -11.177 1.00 33.41 H new ATOM 1001 N SER A 65 6.356 4.200 -6.205 1.00 75.43 N ATOM 1002 CA SER A 65 7.203 3.102 -5.659 1.00 44.33 C ATOM 1003 C SER A 65 6.342 1.999 -4.982 1.00 55.32 C ATOM 1004 O SER A 65 6.611 0.803 -5.141 1.00 74.32 O ATOM 1005 CB SER A 65 8.225 3.661 -4.634 1.00 32.23 C ATOM 1006 OG SER A 65 9.135 4.565 -5.242 1.00 45.54 O ATOM 0 H SER A 65 6.570 5.116 -5.810 1.00 75.43 H new ATOM 0 HA SER A 65 7.736 2.656 -6.499 1.00 44.33 H new ATOM 0 HB2 SER A 65 7.693 4.167 -3.828 1.00 32.23 H new ATOM 0 HB3 SER A 65 8.777 2.836 -4.183 1.00 32.23 H new ATOM 0 HG SER A 65 8.677 5.409 -5.437 1.00 45.54 H new ATOM 1012 N ARG A 66 5.307 2.430 -4.219 1.00 22.31 N ATOM 1013 CA ARG A 66 4.336 1.507 -3.578 1.00 2.24 C ATOM 1014 C ARG A 66 3.524 0.742 -4.631 1.00 74.51 C ATOM 1015 O ARG A 66 3.492 -0.481 -4.612 1.00 44.13 O ATOM 1016 CB ARG A 66 3.350 2.271 -2.661 1.00 34.30 C ATOM 1017 CG ARG A 66 3.981 2.941 -1.435 1.00 35.45 C ATOM 1018 CD ARG A 66 2.925 3.692 -0.610 1.00 71.41 C ATOM 1019 NE ARG A 66 3.464 4.224 0.641 1.00 62.22 N ATOM 1020 CZ ARG A 66 2.865 5.107 1.398 1.00 64.52 C ATOM 1021 NH1 ARG A 66 1.744 5.677 1.037 1.00 2.35 N ATOM 1022 NH2 ARG A 66 3.408 5.435 2.512 1.00 73.44 N ATOM 0 H ARG A 66 5.123 3.416 -4.032 1.00 22.31 H new ATOM 0 HA ARG A 66 4.919 0.806 -2.980 1.00 2.24 H new ATOM 0 HB2 ARG A 66 2.847 3.035 -3.253 1.00 34.30 H new ATOM 0 HB3 ARG A 66 2.583 1.575 -2.320 1.00 34.30 H new ATOM 0 HG2 ARG A 66 4.464 2.187 -0.813 1.00 35.45 H new ATOM 0 HG3 ARG A 66 4.758 3.635 -1.756 1.00 35.45 H new ATOM 0 HD2 ARG A 66 2.520 4.511 -1.204 1.00 71.41 H new ATOM 0 HD3 ARG A 66 2.097 3.019 -0.388 1.00 71.41 H new ATOM 0 HE ARG A 66 4.375 3.881 0.946 1.00 62.22 H new ATOM 0 HH11 ARG A 66 1.314 5.436 0.144 1.00 2.35 H new ATOM 0 HH12 ARG A 66 1.300 6.362 1.649 1.00 2.35 H new ATOM 0 HH21 ARG A 66 4.291 5.009 2.794 1.00 73.44 H new ATOM 0 HH22 ARG A 66 2.957 6.122 3.117 1.00 73.44 H new ATOM 1036 N ILE A 67 2.893 1.503 -5.547 1.00 11.23 N ATOM 1037 CA ILE A 67 1.995 0.973 -6.609 1.00 52.21 C ATOM 1038 C ILE A 67 2.677 -0.162 -7.416 1.00 71.50 C ATOM 1039 O ILE A 67 2.073 -1.204 -7.689 1.00 34.43 O ATOM 1040 CB ILE A 67 1.571 2.128 -7.595 1.00 44.43 C ATOM 1041 CG1 ILE A 67 0.929 3.324 -6.818 1.00 24.52 C ATOM 1042 CG2 ILE A 67 0.614 1.619 -8.700 1.00 64.44 C ATOM 1043 CD1 ILE A 67 0.758 4.590 -7.644 1.00 41.30 C ATOM 0 H ILE A 67 2.990 2.518 -5.576 1.00 11.23 H new ATOM 0 HA ILE A 67 1.112 0.566 -6.116 1.00 52.21 H new ATOM 0 HB ILE A 67 2.479 2.483 -8.083 1.00 44.43 H new ATOM 0 HG12 ILE A 67 -0.046 3.015 -6.442 1.00 24.52 H new ATOM 0 HG13 ILE A 67 1.548 3.552 -5.950 1.00 24.52 H new ATOM 0 HG21 ILE A 67 0.346 2.445 -9.358 1.00 64.44 H new ATOM 0 HG22 ILE A 67 1.109 0.840 -9.279 1.00 64.44 H new ATOM 0 HG23 ILE A 67 -0.288 1.213 -8.242 1.00 64.44 H new ATOM 0 HD11 ILE A 67 0.306 5.368 -7.028 1.00 41.30 H new ATOM 0 HD12 ILE A 67 1.732 4.927 -7.998 1.00 41.30 H new ATOM 0 HD13 ILE A 67 0.113 4.383 -8.498 1.00 41.30 H new ATOM 1055 N SER A 68 3.955 0.077 -7.763 1.00 43.12 N ATOM 1056 CA SER A 68 4.826 -0.889 -8.466 1.00 11.20 C ATOM 1057 C SER A 68 4.973 -2.215 -7.679 1.00 15.43 C ATOM 1058 O SER A 68 4.722 -3.295 -8.217 1.00 61.41 O ATOM 1059 CB SER A 68 6.218 -0.249 -8.697 1.00 11.22 C ATOM 1060 OG SER A 68 7.139 -1.156 -9.291 1.00 14.12 O ATOM 0 H SER A 68 4.421 0.961 -7.560 1.00 43.12 H new ATOM 0 HA SER A 68 4.363 -1.130 -9.423 1.00 11.20 H new ATOM 0 HB2 SER A 68 6.111 0.627 -9.337 1.00 11.22 H new ATOM 0 HB3 SER A 68 6.618 0.099 -7.745 1.00 11.22 H new ATOM 0 HG SER A 68 8.002 -0.709 -9.419 1.00 14.12 H new ATOM 1066 N ASN A 69 5.340 -2.106 -6.390 1.00 52.23 N ATOM 1067 CA ASN A 69 5.602 -3.251 -5.508 1.00 50.44 C ATOM 1068 C ASN A 69 4.292 -4.000 -5.102 1.00 11.51 C ATOM 1069 O ASN A 69 4.304 -5.210 -4.844 1.00 71.14 O ATOM 1070 CB ASN A 69 6.337 -2.686 -4.279 1.00 21.10 C ATOM 1071 CG ASN A 69 6.854 -3.726 -3.314 1.00 23.22 C ATOM 1072 OD1 ASN A 69 7.187 -4.849 -3.677 1.00 22.21 O ATOM 1073 ND2 ASN A 69 6.964 -3.341 -2.079 1.00 23.11 N ATOM 0 H ASN A 69 5.464 -1.205 -5.927 1.00 52.23 H new ATOM 0 HA ASN A 69 6.206 -3.999 -6.021 1.00 50.44 H new ATOM 0 HB2 ASN A 69 7.176 -2.081 -4.622 1.00 21.10 H new ATOM 0 HB3 ASN A 69 5.661 -2.019 -3.744 1.00 21.10 H new ATOM 0 HD21 ASN A 69 7.337 -3.980 -1.377 1.00 23.11 H new ATOM 0 HD22 ASN A 69 6.678 -2.399 -1.811 1.00 23.11 H new ATOM 1080 N LEU A 70 3.167 -3.264 -5.070 1.00 70.01 N ATOM 1081 CA LEU A 70 1.832 -3.802 -4.700 1.00 32.11 C ATOM 1082 C LEU A 70 1.124 -4.498 -5.895 1.00 44.34 C ATOM 1083 O LEU A 70 0.034 -5.047 -5.734 1.00 51.40 O ATOM 1084 CB LEU A 70 0.944 -2.660 -4.137 1.00 33.31 C ATOM 1085 CG LEU A 70 1.362 -2.064 -2.754 1.00 24.13 C ATOM 1086 CD1 LEU A 70 0.551 -0.786 -2.420 1.00 71.01 C ATOM 1087 CD2 LEU A 70 1.218 -3.118 -1.635 1.00 24.14 C ATOM 0 H LEU A 70 3.151 -2.271 -5.301 1.00 70.01 H new ATOM 0 HA LEU A 70 1.983 -4.562 -3.933 1.00 32.11 H new ATOM 0 HB2 LEU A 70 0.928 -1.850 -4.866 1.00 33.31 H new ATOM 0 HB3 LEU A 70 -0.077 -3.033 -4.053 1.00 33.31 H new ATOM 0 HG LEU A 70 2.412 -1.779 -2.820 1.00 24.13 H new ATOM 0 HD11 LEU A 70 0.867 -0.397 -1.452 1.00 71.01 H new ATOM 0 HD12 LEU A 70 0.726 -0.033 -3.188 1.00 71.01 H new ATOM 0 HD13 LEU A 70 -0.511 -1.028 -2.385 1.00 71.01 H new ATOM 0 HD21 LEU A 70 1.515 -2.680 -0.682 1.00 24.14 H new ATOM 0 HD22 LEU A 70 0.180 -3.447 -1.576 1.00 24.14 H new ATOM 0 HD23 LEU A 70 1.857 -3.973 -1.856 1.00 24.14 H new ATOM 1099 N LYS A 71 1.732 -4.441 -7.093 1.00 51.43 N ATOM 1100 CA LYS A 71 1.290 -5.238 -8.271 1.00 65.24 C ATOM 1101 C LYS A 71 2.431 -6.156 -8.781 1.00 64.21 C ATOM 1102 O LYS A 71 2.279 -6.838 -9.803 1.00 61.23 O ATOM 1103 CB LYS A 71 0.803 -4.296 -9.414 1.00 31.22 C ATOM 1104 CG LYS A 71 1.913 -3.417 -10.046 1.00 31.21 C ATOM 1105 CD LYS A 71 1.396 -2.492 -11.176 1.00 0.21 C ATOM 1106 CE LYS A 71 0.319 -1.506 -10.703 1.00 12.20 C ATOM 1107 NZ LYS A 71 -0.104 -0.583 -11.789 1.00 72.14 N ATOM 0 H LYS A 71 2.540 -3.847 -7.280 1.00 51.43 H new ATOM 0 HA LYS A 71 0.459 -5.870 -7.958 1.00 65.24 H new ATOM 0 HB2 LYS A 71 0.349 -4.903 -10.197 1.00 31.22 H new ATOM 0 HB3 LYS A 71 0.022 -3.645 -9.022 1.00 31.22 H new ATOM 0 HG2 LYS A 71 2.370 -2.806 -9.267 1.00 31.21 H new ATOM 0 HG3 LYS A 71 2.695 -4.063 -10.445 1.00 31.21 H new ATOM 0 HD2 LYS A 71 2.234 -1.933 -11.592 1.00 0.21 H new ATOM 0 HD3 LYS A 71 0.991 -3.104 -11.981 1.00 0.21 H new ATOM 0 HE2 LYS A 71 -0.547 -2.060 -10.340 1.00 12.20 H new ATOM 0 HE3 LYS A 71 0.701 -0.927 -9.863 1.00 12.20 H new ATOM 0 HZ1 LYS A 71 -0.832 0.066 -11.429 1.00 72.14 H new ATOM 0 HZ2 LYS A 71 0.716 -0.035 -12.118 1.00 72.14 H new ATOM 0 HZ3 LYS A 71 -0.493 -1.134 -12.581 1.00 72.14 H new ATOM 1121 N ASP A 72 3.562 -6.183 -8.048 1.00 20.11 N ATOM 1122 CA ASP A 72 4.797 -6.862 -8.489 1.00 24.35 C ATOM 1123 C ASP A 72 4.718 -8.396 -8.296 1.00 3.30 C ATOM 1124 O ASP A 72 4.376 -8.883 -7.212 1.00 45.30 O ATOM 1125 CB ASP A 72 6.019 -6.282 -7.739 1.00 15.00 C ATOM 1126 CG ASP A 72 7.352 -6.787 -8.305 1.00 20.40 C ATOM 1127 OD1 ASP A 72 7.820 -6.239 -9.327 1.00 43.05 O ATOM 1128 OD2 ASP A 72 7.919 -7.745 -7.753 1.00 21.41 O ATOM 0 H ASP A 72 3.645 -5.736 -7.135 1.00 20.11 H new ATOM 0 HA ASP A 72 4.911 -6.678 -9.557 1.00 24.35 H new ATOM 0 HB2 ASP A 72 5.993 -5.194 -7.796 1.00 15.00 H new ATOM 0 HB3 ASP A 72 5.953 -6.547 -6.684 1.00 15.00 H new ATOM 1133 N ALA A 73 5.075 -9.139 -9.361 1.00 14.42 N ATOM 1134 CA ALA A 73 5.016 -10.619 -9.397 1.00 0.35 C ATOM 1135 C ALA A 73 6.125 -11.287 -8.543 1.00 74.11 C ATOM 1136 O ALA A 73 5.939 -12.396 -8.024 1.00 33.40 O ATOM 1137 CB ALA A 73 5.107 -11.095 -10.856 1.00 40.15 C ATOM 0 H ALA A 73 5.416 -8.728 -10.230 1.00 14.42 H new ATOM 0 HA ALA A 73 4.064 -10.921 -8.960 1.00 0.35 H new ATOM 0 HB1 ALA A 73 5.064 -12.184 -10.887 1.00 40.15 H new ATOM 0 HB2 ALA A 73 4.274 -10.683 -11.426 1.00 40.15 H new ATOM 0 HB3 ALA A 73 6.047 -10.757 -11.291 1.00 40.15 H new ATOM 1143 N LYS A 74 7.270 -10.597 -8.403 1.00 34.11 N ATOM 1144 CA LYS A 74 8.468 -11.126 -7.701 1.00 73.51 C ATOM 1145 C LYS A 74 8.326 -10.965 -6.170 1.00 24.23 C ATOM 1146 O LYS A 74 8.945 -11.708 -5.403 1.00 54.23 O ATOM 1147 CB LYS A 74 9.775 -10.448 -8.218 1.00 4.02 C ATOM 1148 CG LYS A 74 10.072 -10.658 -9.732 1.00 22.12 C ATOM 1149 CD LYS A 74 9.197 -9.790 -10.678 1.00 35.22 C ATOM 1150 CE LYS A 74 9.343 -10.188 -12.158 1.00 11.34 C ATOM 1151 NZ LYS A 74 10.745 -10.090 -12.642 1.00 54.44 N ATOM 0 H LYS A 74 7.398 -9.655 -8.772 1.00 34.11 H new ATOM 0 HA LYS A 74 8.540 -12.191 -7.923 1.00 73.51 H new ATOM 0 HB2 LYS A 74 9.714 -9.378 -8.020 1.00 4.02 H new ATOM 0 HB3 LYS A 74 10.617 -10.831 -7.642 1.00 4.02 H new ATOM 0 HG2 LYS A 74 11.122 -10.434 -9.919 1.00 22.12 H new ATOM 0 HG3 LYS A 74 9.921 -11.709 -9.978 1.00 22.12 H new ATOM 0 HD2 LYS A 74 8.151 -9.881 -10.384 1.00 35.22 H new ATOM 0 HD3 LYS A 74 9.472 -8.742 -10.560 1.00 35.22 H new ATOM 0 HE2 LYS A 74 8.987 -11.209 -12.292 1.00 11.34 H new ATOM 0 HE3 LYS A 74 8.707 -9.546 -12.767 1.00 11.34 H new ATOM 0 HZ1 LYS A 74 10.779 -10.320 -13.656 1.00 54.44 H new ATOM 0 HZ2 LYS A 74 11.096 -9.122 -12.494 1.00 54.44 H new ATOM 0 HZ3 LYS A 74 11.342 -10.759 -12.115 1.00 54.44 H new ATOM 1165 N ASN A 75 7.498 -9.993 -5.733 1.00 15.11 N ATOM 1166 CA ASN A 75 7.085 -9.861 -4.311 1.00 4.04 C ATOM 1167 C ASN A 75 5.528 -9.910 -4.190 1.00 13.43 C ATOM 1168 O ASN A 75 4.861 -8.869 -4.156 1.00 54.43 O ATOM 1169 CB ASN A 75 7.666 -8.550 -3.691 1.00 64.24 C ATOM 1170 CG ASN A 75 7.367 -8.384 -2.189 1.00 15.34 C ATOM 1171 OD1 ASN A 75 7.198 -9.354 -1.455 1.00 2.11 O ATOM 1172 ND2 ASN A 75 7.324 -7.150 -1.718 1.00 31.14 N ATOM 0 H ASN A 75 7.098 -9.282 -6.345 1.00 15.11 H new ATOM 0 HA ASN A 75 7.490 -10.701 -3.747 1.00 4.04 H new ATOM 0 HB2 ASN A 75 8.746 -8.537 -3.840 1.00 64.24 H new ATOM 0 HB3 ASN A 75 7.259 -7.694 -4.229 1.00 64.24 H new ATOM 0 HD21 ASN A 75 7.148 -6.988 -0.726 1.00 31.14 H new ATOM 0 HD22 ASN A 75 7.467 -6.359 -2.346 1.00 31.14 H new ATOM 1179 N PRO A 76 4.912 -11.140 -4.203 1.00 54.03 N ATOM 1180 CA PRO A 76 3.481 -11.320 -3.884 1.00 0.12 C ATOM 1181 C PRO A 76 3.215 -11.416 -2.357 1.00 31.12 C ATOM 1182 O PRO A 76 2.107 -11.151 -1.916 1.00 63.14 O ATOM 1183 CB PRO A 76 3.142 -12.643 -4.616 1.00 34.10 C ATOM 1184 CG PRO A 76 4.403 -13.447 -4.521 1.00 2.23 C ATOM 1185 CD PRO A 76 5.544 -12.442 -4.581 1.00 64.34 C ATOM 0 HA PRO A 76 2.866 -10.476 -4.197 1.00 0.12 H new ATOM 0 HB2 PRO A 76 2.305 -13.157 -4.143 1.00 34.10 H new ATOM 0 HB3 PRO A 76 2.861 -12.464 -5.654 1.00 34.10 H new ATOM 0 HG2 PRO A 76 4.433 -14.018 -3.593 1.00 2.23 H new ATOM 0 HG3 PRO A 76 4.471 -14.165 -5.339 1.00 2.23 H new ATOM 0 HD2 PRO A 76 6.346 -12.709 -3.893 1.00 64.34 H new ATOM 0 HD3 PRO A 76 5.982 -12.397 -5.578 1.00 64.34 H new ATOM 1193 N ASP A 77 4.264 -11.763 -1.568 1.00 12.43 N ATOM 1194 CA ASP A 77 4.174 -11.996 -0.105 1.00 63.10 C ATOM 1195 C ASP A 77 3.609 -10.773 0.657 1.00 53.24 C ATOM 1196 O ASP A 77 2.674 -10.912 1.447 1.00 52.42 O ATOM 1197 CB ASP A 77 5.575 -12.370 0.447 1.00 24.14 C ATOM 1198 CG ASP A 77 6.116 -13.671 -0.164 1.00 23.35 C ATOM 1199 OD1 ASP A 77 6.590 -13.644 -1.322 1.00 11.42 O ATOM 1200 OD2 ASP A 77 6.033 -14.733 0.493 1.00 15.34 O ATOM 0 H ASP A 77 5.207 -11.890 -1.935 1.00 12.43 H new ATOM 0 HA ASP A 77 3.477 -12.818 0.055 1.00 63.10 H new ATOM 0 HB2 ASP A 77 6.272 -11.558 0.242 1.00 24.14 H new ATOM 0 HB3 ASP A 77 5.519 -12.476 1.530 1.00 24.14 H new ATOM 1205 N LEU A 78 4.183 -9.586 0.390 1.00 51.13 N ATOM 1206 CA LEU A 78 3.779 -8.314 1.041 1.00 25.55 C ATOM 1207 C LEU A 78 2.262 -8.021 0.870 1.00 31.54 C ATOM 1208 O LEU A 78 1.536 -7.856 1.854 1.00 25.43 O ATOM 1209 CB LEU A 78 4.608 -7.142 0.446 1.00 52.11 C ATOM 1210 CG LEU A 78 4.293 -5.704 0.987 1.00 73.10 C ATOM 1211 CD1 LEU A 78 4.591 -5.582 2.501 1.00 1.03 C ATOM 1212 CD2 LEU A 78 5.063 -4.642 0.173 1.00 41.11 C ATOM 0 H LEU A 78 4.941 -9.475 -0.283 1.00 51.13 H new ATOM 0 HA LEU A 78 3.974 -8.413 2.109 1.00 25.55 H new ATOM 0 HB2 LEU A 78 5.663 -7.348 0.625 1.00 52.11 H new ATOM 0 HB3 LEU A 78 4.462 -7.138 -0.634 1.00 52.11 H new ATOM 0 HG LEU A 78 3.225 -5.524 0.860 1.00 73.10 H new ATOM 0 HD11 LEU A 78 4.360 -4.571 2.837 1.00 1.03 H new ATOM 0 HD12 LEU A 78 3.978 -6.296 3.051 1.00 1.03 H new ATOM 0 HD13 LEU A 78 5.645 -5.792 2.682 1.00 1.03 H new ATOM 0 HD21 LEU A 78 4.834 -3.649 0.561 1.00 41.11 H new ATOM 0 HD22 LEU A 78 6.134 -4.826 0.257 1.00 41.11 H new ATOM 0 HD23 LEU A 78 4.766 -4.700 -0.874 1.00 41.11 H new ATOM 1224 N ARG A 79 1.801 -8.004 -0.394 1.00 2.12 N ATOM 1225 CA ARG A 79 0.395 -7.687 -0.751 1.00 21.33 C ATOM 1226 C ARG A 79 -0.591 -8.823 -0.361 1.00 14.35 C ATOM 1227 O ARG A 79 -1.739 -8.537 -0.049 1.00 22.33 O ATOM 1228 CB ARG A 79 0.285 -7.333 -2.263 1.00 51.23 C ATOM 1229 CG ARG A 79 0.935 -8.354 -3.222 1.00 44.54 C ATOM 1230 CD ARG A 79 0.815 -7.953 -4.700 1.00 43.44 C ATOM 1231 NE ARG A 79 1.636 -8.812 -5.575 1.00 34.31 N ATOM 1232 CZ ARG A 79 1.175 -9.679 -6.446 1.00 10.13 C ATOM 1233 NH1 ARG A 79 -0.091 -9.876 -6.593 1.00 33.51 N ATOM 1234 NH2 ARG A 79 2.007 -10.345 -7.173 1.00 73.11 N ATOM 0 H ARG A 79 2.389 -8.209 -1.202 1.00 2.12 H new ATOM 0 HA ARG A 79 0.101 -6.815 -0.167 1.00 21.33 H new ATOM 0 HB2 ARG A 79 -0.769 -7.235 -2.522 1.00 51.23 H new ATOM 0 HB3 ARG A 79 0.746 -6.359 -2.427 1.00 51.23 H new ATOM 0 HG2 ARG A 79 1.989 -8.464 -2.966 1.00 44.54 H new ATOM 0 HG3 ARG A 79 0.468 -9.328 -3.077 1.00 44.54 H new ATOM 0 HD2 ARG A 79 -0.229 -8.014 -5.008 1.00 43.44 H new ATOM 0 HD3 ARG A 79 1.123 -6.914 -4.820 1.00 43.44 H new ATOM 0 HE ARG A 79 2.649 -8.724 -5.496 1.00 34.31 H new ATOM 0 HH11 ARG A 79 -0.758 -9.353 -6.026 1.00 33.51 H new ATOM 0 HH12 ARG A 79 -0.425 -10.555 -7.277 1.00 33.51 H new ATOM 0 HH21 ARG A 79 3.010 -10.195 -7.067 1.00 73.11 H new ATOM 0 HH22 ARG A 79 1.661 -11.022 -7.853 1.00 73.11 H new ATOM 1248 N ARG A 80 -0.125 -10.094 -0.366 1.00 11.51 N ATOM 1249 CA ARG A 80 -0.943 -11.286 0.027 1.00 1.31 C ATOM 1250 C ARG A 80 -1.211 -11.262 1.554 1.00 13.32 C ATOM 1251 O ARG A 80 -2.292 -11.644 2.017 1.00 40.42 O ATOM 1252 CB ARG A 80 -0.207 -12.601 -0.416 1.00 3.32 C ATOM 1253 CG ARG A 80 -1.093 -13.853 -0.685 1.00 22.10 C ATOM 1254 CD ARG A 80 -1.644 -14.537 0.580 1.00 42.33 C ATOM 1255 NE ARG A 80 -2.414 -15.755 0.247 1.00 2.24 N ATOM 1256 CZ ARG A 80 -3.386 -16.277 0.967 1.00 72.02 C ATOM 1257 NH1 ARG A 80 -3.813 -15.712 2.055 1.00 33.00 N ATOM 1258 NH2 ARG A 80 -3.954 -17.371 0.567 1.00 12.44 N ATOM 0 H ARG A 80 0.828 -10.331 -0.641 1.00 11.51 H new ATOM 0 HA ARG A 80 -1.908 -11.256 -0.478 1.00 1.31 H new ATOM 0 HB2 ARG A 80 0.357 -12.384 -1.323 1.00 3.32 H new ATOM 0 HB3 ARG A 80 0.518 -12.859 0.356 1.00 3.32 H new ATOM 0 HG2 ARG A 80 -1.931 -13.559 -1.317 1.00 22.10 H new ATOM 0 HG3 ARG A 80 -0.509 -14.580 -1.249 1.00 22.10 H new ATOM 0 HD2 ARG A 80 -0.819 -14.797 1.243 1.00 42.33 H new ATOM 0 HD3 ARG A 80 -2.282 -13.840 1.123 1.00 42.33 H new ATOM 0 HE ARG A 80 -2.170 -16.235 -0.619 1.00 2.24 H new ATOM 0 HH11 ARG A 80 -3.394 -14.839 2.374 1.00 33.00 H new ATOM 0 HH12 ARG A 80 -4.568 -16.141 2.590 1.00 33.00 H new ATOM 0 HH21 ARG A 80 -3.647 -17.818 -0.297 1.00 12.44 H new ATOM 0 HH22 ARG A 80 -4.708 -17.785 1.116 1.00 12.44 H new ATOM 1272 N ASN A 81 -0.209 -10.797 2.313 1.00 11.14 N ATOM 1273 CA ASN A 81 -0.343 -10.545 3.759 1.00 41.33 C ATOM 1274 C ASN A 81 -1.318 -9.367 4.034 1.00 73.33 C ATOM 1275 O ASN A 81 -2.133 -9.445 4.946 1.00 72.20 O ATOM 1276 CB ASN A 81 1.042 -10.273 4.389 1.00 32.44 C ATOM 1277 CG ASN A 81 1.950 -11.512 4.466 1.00 73.52 C ATOM 1278 OD1 ASN A 81 1.484 -12.636 4.635 1.00 34.23 O ATOM 1279 ND2 ASN A 81 3.256 -11.316 4.349 1.00 25.45 N ATOM 0 H ASN A 81 0.718 -10.584 1.944 1.00 11.14 H new ATOM 0 HA ASN A 81 -0.763 -11.437 4.223 1.00 41.33 H new ATOM 0 HB2 ASN A 81 1.548 -9.501 3.810 1.00 32.44 H new ATOM 0 HB3 ASN A 81 0.901 -9.876 5.394 1.00 32.44 H new ATOM 0 HD21 ASN A 81 3.897 -12.108 4.399 1.00 25.45 H new ATOM 0 HD22 ASN A 81 3.620 -10.373 4.209 1.00 25.45 H new ATOM 1286 N VAL A 82 -1.227 -8.283 3.230 1.00 14.41 N ATOM 1287 CA VAL A 82 -2.167 -7.129 3.319 1.00 22.43 C ATOM 1288 C VAL A 82 -3.617 -7.540 2.890 1.00 34.33 C ATOM 1289 O VAL A 82 -4.611 -6.981 3.378 1.00 3.12 O ATOM 1290 CB VAL A 82 -1.662 -5.894 2.460 1.00 24.22 C ATOM 1291 CG1 VAL A 82 -2.671 -4.712 2.454 1.00 70.02 C ATOM 1292 CG2 VAL A 82 -0.274 -5.408 2.952 1.00 12.13 C ATOM 0 H VAL A 82 -0.513 -8.178 2.509 1.00 14.41 H new ATOM 0 HA VAL A 82 -2.195 -6.821 4.364 1.00 22.43 H new ATOM 0 HB VAL A 82 -1.575 -6.249 1.433 1.00 24.22 H new ATOM 0 HG11 VAL A 82 -2.272 -3.896 1.851 1.00 70.02 H new ATOM 0 HG12 VAL A 82 -3.619 -5.045 2.032 1.00 70.02 H new ATOM 0 HG13 VAL A 82 -2.830 -4.364 3.475 1.00 70.02 H new ATOM 0 HG21 VAL A 82 0.050 -4.561 2.347 1.00 12.13 H new ATOM 0 HG22 VAL A 82 -0.344 -5.103 3.996 1.00 12.13 H new ATOM 0 HG23 VAL A 82 0.449 -6.218 2.859 1.00 12.13 H new ATOM 1302 N LEU A 83 -3.716 -8.528 1.971 1.00 0.33 N ATOM 1303 CA LEU A 83 -5.006 -9.130 1.540 1.00 32.01 C ATOM 1304 C LEU A 83 -5.724 -9.804 2.731 1.00 2.04 C ATOM 1305 O LEU A 83 -6.883 -9.490 3.037 1.00 3.40 O ATOM 1306 CB LEU A 83 -4.775 -10.162 0.384 1.00 13.30 C ATOM 1307 CG LEU A 83 -4.516 -9.564 -1.041 1.00 14.04 C ATOM 1308 CD1 LEU A 83 -4.004 -10.628 -2.043 1.00 14.44 C ATOM 1309 CD2 LEU A 83 -5.782 -8.896 -1.584 1.00 11.21 C ATOM 0 H LEU A 83 -2.904 -8.933 1.505 1.00 0.33 H new ATOM 0 HA LEU A 83 -5.644 -8.330 1.166 1.00 32.01 H new ATOM 0 HB2 LEU A 83 -3.925 -10.790 0.651 1.00 13.30 H new ATOM 0 HB3 LEU A 83 -5.647 -10.813 0.328 1.00 13.30 H new ATOM 0 HG LEU A 83 -3.732 -8.815 -0.932 1.00 14.04 H new ATOM 0 HD11 LEU A 83 -3.840 -10.163 -3.015 1.00 14.44 H new ATOM 0 HD12 LEU A 83 -3.067 -11.049 -1.679 1.00 14.44 H new ATOM 0 HD13 LEU A 83 -4.745 -11.422 -2.141 1.00 14.44 H new ATOM 0 HD21 LEU A 83 -5.581 -8.487 -2.574 1.00 11.21 H new ATOM 0 HD22 LEU A 83 -6.582 -9.633 -1.651 1.00 11.21 H new ATOM 0 HD23 LEU A 83 -6.085 -8.092 -0.914 1.00 11.21 H new ATOM 1321 N CYS A 84 -5.000 -10.708 3.409 1.00 42.53 N ATOM 1322 CA CYS A 84 -5.527 -11.506 4.540 1.00 60.34 C ATOM 1323 C CYS A 84 -5.518 -10.722 5.883 1.00 42.42 C ATOM 1324 O CYS A 84 -6.100 -11.181 6.873 1.00 34.12 O ATOM 1325 CB CYS A 84 -4.695 -12.799 4.670 1.00 60.44 C ATOM 1326 SG CYS A 84 -2.931 -12.507 4.940 1.00 5.41 S ATOM 0 H CYS A 84 -4.025 -10.911 3.190 1.00 42.53 H new ATOM 0 HA CYS A 84 -6.569 -11.743 4.327 1.00 60.34 H new ATOM 0 HB2 CYS A 84 -5.087 -13.390 5.498 1.00 60.44 H new ATOM 0 HB3 CYS A 84 -4.821 -13.394 3.765 1.00 60.44 H new ATOM 0 HG CYS A 84 -2.721 -11.233 5.094 1.00 5.41 H new ATOM 1332 N GLY A 85 -4.848 -9.548 5.904 1.00 70.22 N ATOM 1333 CA GLY A 85 -4.780 -8.687 7.102 1.00 64.14 C ATOM 1334 C GLY A 85 -3.741 -9.161 8.131 1.00 62.24 C ATOM 1335 O GLY A 85 -4.089 -9.546 9.252 1.00 0.15 O ATOM 0 H GLY A 85 -4.345 -9.175 5.099 1.00 70.22 H new ATOM 0 HA2 GLY A 85 -4.540 -7.669 6.796 1.00 64.14 H new ATOM 0 HA3 GLY A 85 -5.762 -8.655 7.575 1.00 64.14 H new ATOM 1339 N ALA A 86 -2.458 -9.130 7.734 1.00 64.15 N ATOM 1340 CA ALA A 86 -1.310 -9.508 8.594 1.00 23.12 C ATOM 1341 C ALA A 86 -0.399 -8.284 8.823 1.00 40.33 C ATOM 1342 O ALA A 86 -0.089 -7.923 9.964 1.00 30.41 O ATOM 1343 CB ALA A 86 -0.527 -10.675 7.959 1.00 13.45 C ATOM 0 H ALA A 86 -2.179 -8.839 6.797 1.00 64.15 H new ATOM 0 HA ALA A 86 -1.682 -9.843 9.562 1.00 23.12 H new ATOM 0 HB1 ALA A 86 0.313 -10.942 8.601 1.00 13.45 H new ATOM 0 HB2 ALA A 86 -1.186 -11.536 7.846 1.00 13.45 H new ATOM 0 HB3 ALA A 86 -0.154 -10.373 6.980 1.00 13.45 H new ATOM 1349 N ILE A 87 0.038 -7.658 7.707 1.00 23.35 N ATOM 1350 CA ILE A 87 0.745 -6.354 7.735 1.00 52.04 C ATOM 1351 C ILE A 87 -0.294 -5.221 7.872 1.00 11.31 C ATOM 1352 O ILE A 87 -1.260 -5.153 7.099 1.00 21.44 O ATOM 1353 CB ILE A 87 1.672 -6.141 6.446 1.00 71.34 C ATOM 1354 CG1 ILE A 87 3.042 -6.898 6.590 1.00 10.33 C ATOM 1355 CG2 ILE A 87 1.936 -4.640 6.134 1.00 20.03 C ATOM 1356 CD1 ILE A 87 2.938 -8.398 6.775 1.00 41.11 C ATOM 0 H ILE A 87 -0.087 -8.037 6.768 1.00 23.35 H new ATOM 0 HA ILE A 87 1.414 -6.340 8.596 1.00 52.04 H new ATOM 0 HB ILE A 87 1.115 -6.562 5.609 1.00 71.34 H new ATOM 0 HG12 ILE A 87 3.643 -6.699 5.703 1.00 10.33 H new ATOM 0 HG13 ILE A 87 3.581 -6.480 7.440 1.00 10.33 H new ATOM 0 HG21 ILE A 87 2.569 -4.558 5.251 1.00 20.03 H new ATOM 0 HG22 ILE A 87 0.988 -4.135 5.949 1.00 20.03 H new ATOM 0 HG23 ILE A 87 2.436 -4.174 6.983 1.00 20.03 H new ATOM 0 HD11 ILE A 87 3.937 -8.824 6.864 1.00 41.11 H new ATOM 0 HD12 ILE A 87 2.369 -8.615 7.679 1.00 41.11 H new ATOM 0 HD13 ILE A 87 2.432 -8.836 5.915 1.00 41.11 H new ATOM 1368 N THR A 88 -0.085 -4.352 8.874 1.00 42.35 N ATOM 1369 CA THR A 88 -0.963 -3.199 9.136 1.00 22.13 C ATOM 1370 C THR A 88 -0.686 -2.061 8.123 1.00 61.31 C ATOM 1371 O THR A 88 0.454 -1.915 7.651 1.00 42.21 O ATOM 1372 CB THR A 88 -0.792 -2.661 10.602 1.00 4.12 C ATOM 1373 OG1 THR A 88 0.573 -2.282 10.840 1.00 2.31 O ATOM 1374 CG2 THR A 88 -1.231 -3.704 11.643 1.00 1.35 C ATOM 0 H THR A 88 0.696 -4.428 9.525 1.00 42.35 H new ATOM 0 HA THR A 88 -1.991 -3.541 9.018 1.00 22.13 H new ATOM 0 HB THR A 88 -1.434 -1.786 10.707 1.00 4.12 H new ATOM 0 HG1 THR A 88 1.148 -3.073 10.778 1.00 2.31 H new ATOM 0 HG21 THR A 88 -1.098 -3.296 12.645 1.00 1.35 H new ATOM 0 HG22 THR A 88 -2.281 -3.953 11.489 1.00 1.35 H new ATOM 0 HG23 THR A 88 -0.625 -4.604 11.534 1.00 1.35 H new ATOM 1382 N PRO A 89 -1.724 -1.244 7.753 1.00 43.22 N ATOM 1383 CA PRO A 89 -1.561 -0.141 6.770 1.00 12.24 C ATOM 1384 C PRO A 89 -0.501 0.928 7.177 1.00 42.33 C ATOM 1385 O PRO A 89 0.025 1.633 6.310 1.00 51.51 O ATOM 1386 CB PRO A 89 -2.993 0.457 6.650 1.00 43.31 C ATOM 1387 CG PRO A 89 -3.721 -0.006 7.877 1.00 2.20 C ATOM 1388 CD PRO A 89 -3.137 -1.357 8.214 1.00 60.32 C ATOM 0 HA PRO A 89 -1.168 -0.509 5.822 1.00 12.24 H new ATOM 0 HB2 PRO A 89 -2.961 1.545 6.599 1.00 43.31 H new ATOM 0 HB3 PRO A 89 -3.489 0.110 5.744 1.00 43.31 H new ATOM 0 HG2 PRO A 89 -3.586 0.695 8.700 1.00 2.20 H new ATOM 0 HG3 PRO A 89 -4.793 -0.078 7.692 1.00 2.20 H new ATOM 0 HD2 PRO A 89 -3.196 -1.566 9.282 1.00 60.32 H new ATOM 0 HD3 PRO A 89 -3.664 -2.162 7.702 1.00 60.32 H new ATOM 1396 N GLN A 90 -0.182 1.033 8.494 1.00 43.34 N ATOM 1397 CA GLN A 90 0.898 1.928 8.978 1.00 45.34 C ATOM 1398 C GLN A 90 2.300 1.380 8.602 1.00 3.33 C ATOM 1399 O GLN A 90 3.214 2.158 8.341 1.00 52.13 O ATOM 1400 CB GLN A 90 0.833 2.162 10.514 1.00 72.22 C ATOM 1401 CG GLN A 90 1.205 0.944 11.391 1.00 63.42 C ATOM 1402 CD GLN A 90 1.504 1.320 12.845 1.00 51.42 C ATOM 1403 OE1 GLN A 90 0.629 1.319 13.706 1.00 35.12 O ATOM 1404 NE2 GLN A 90 2.752 1.667 13.120 1.00 32.31 N ATOM 0 H GLN A 90 -0.654 0.512 9.233 1.00 43.34 H new ATOM 0 HA GLN A 90 0.739 2.885 8.480 1.00 45.34 H new ATOM 0 HB2 GLN A 90 1.500 2.986 10.767 1.00 72.22 H new ATOM 0 HB3 GLN A 90 -0.177 2.479 10.773 1.00 72.22 H new ATOM 0 HG2 GLN A 90 0.387 0.224 11.369 1.00 63.42 H new ATOM 0 HG3 GLN A 90 2.077 0.449 10.963 1.00 63.42 H new ATOM 0 HE21 GLN A 90 3.458 1.658 12.384 1.00 32.31 H new ATOM 0 HE22 GLN A 90 3.007 1.943 14.068 1.00 32.31 H new ATOM 1413 N GLN A 91 2.459 0.033 8.589 1.00 23.01 N ATOM 1414 CA GLN A 91 3.743 -0.625 8.247 1.00 64.34 C ATOM 1415 C GLN A 91 4.175 -0.291 6.800 1.00 74.42 C ATOM 1416 O GLN A 91 5.219 0.319 6.598 1.00 0.30 O ATOM 1417 CB GLN A 91 3.659 -2.168 8.466 1.00 52.45 C ATOM 1418 CG GLN A 91 3.700 -2.602 9.945 1.00 60.22 C ATOM 1419 CD GLN A 91 3.579 -4.117 10.141 1.00 51.13 C ATOM 1420 OE1 GLN A 91 2.492 -4.651 10.314 1.00 12.04 O ATOM 1421 NE2 GLN A 91 4.688 -4.828 10.088 1.00 4.42 N ATOM 0 H GLN A 91 1.709 -0.621 8.813 1.00 23.01 H new ATOM 0 HA GLN A 91 4.506 -0.233 8.920 1.00 64.34 H new ATOM 0 HB2 GLN A 91 2.737 -2.537 8.017 1.00 52.45 H new ATOM 0 HB3 GLN A 91 4.485 -2.644 7.937 1.00 52.45 H new ATOM 0 HG2 GLN A 91 4.634 -2.260 10.390 1.00 60.22 H new ATOM 0 HG3 GLN A 91 2.891 -2.108 10.483 1.00 60.22 H new ATOM 0 HE21 GLN A 91 5.585 -4.364 9.943 1.00 4.42 H new ATOM 0 HE22 GLN A 91 4.649 -5.842 10.192 1.00 4.42 H new ATOM 1430 N ILE A 92 3.336 -0.639 5.807 1.00 23.14 N ATOM 1431 CA ILE A 92 3.604 -0.331 4.369 1.00 42.23 C ATOM 1432 C ILE A 92 3.710 1.213 4.107 1.00 24.32 C ATOM 1433 O ILE A 92 4.328 1.661 3.124 1.00 34.31 O ATOM 1434 CB ILE A 92 2.519 -1.016 3.443 1.00 62.14 C ATOM 1435 CG1 ILE A 92 2.778 -0.756 1.912 1.00 42.11 C ATOM 1436 CG2 ILE A 92 1.093 -0.588 3.849 1.00 24.22 C ATOM 1437 CD1 ILE A 92 4.133 -1.237 1.398 1.00 22.50 C ATOM 0 H ILE A 92 2.460 -1.137 5.964 1.00 23.14 H new ATOM 0 HA ILE A 92 4.577 -0.751 4.113 1.00 42.23 H new ATOM 0 HB ILE A 92 2.610 -2.091 3.596 1.00 62.14 H new ATOM 0 HG12 ILE A 92 1.993 -1.247 1.337 1.00 42.11 H new ATOM 0 HG13 ILE A 92 2.692 0.314 1.720 1.00 42.11 H new ATOM 0 HG21 ILE A 92 0.368 -1.074 3.196 1.00 24.22 H new ATOM 0 HG22 ILE A 92 0.905 -0.881 4.882 1.00 24.22 H new ATOM 0 HG23 ILE A 92 0.998 0.494 3.756 1.00 24.22 H new ATOM 0 HD11 ILE A 92 4.219 -1.014 0.334 1.00 22.50 H new ATOM 0 HD12 ILE A 92 4.930 -0.728 1.941 1.00 22.50 H new ATOM 0 HD13 ILE A 92 4.219 -2.313 1.551 1.00 22.50 H new ATOM 1449 N ALA A 93 3.139 2.015 5.025 1.00 62.35 N ATOM 1450 CA ALA A 93 3.266 3.485 4.997 1.00 75.51 C ATOM 1451 C ALA A 93 4.685 3.968 5.418 1.00 23.40 C ATOM 1452 O ALA A 93 5.287 4.811 4.736 1.00 34.53 O ATOM 1453 CB ALA A 93 2.197 4.120 5.893 1.00 51.32 C ATOM 0 H ALA A 93 2.580 1.665 5.803 1.00 62.35 H new ATOM 0 HA ALA A 93 3.115 3.805 3.966 1.00 75.51 H new ATOM 0 HB1 ALA A 93 2.298 5.205 5.867 1.00 51.32 H new ATOM 0 HB2 ALA A 93 1.207 3.839 5.534 1.00 51.32 H new ATOM 0 HB3 ALA A 93 2.325 3.769 6.917 1.00 51.32 H new ATOM 1459 N VAL A 94 5.214 3.415 6.533 1.00 11.02 N ATOM 1460 CA VAL A 94 6.485 3.880 7.157 1.00 35.31 C ATOM 1461 C VAL A 94 7.747 3.178 6.577 1.00 62.51 C ATOM 1462 O VAL A 94 8.848 3.740 6.645 1.00 73.23 O ATOM 1463 CB VAL A 94 6.458 3.705 8.730 1.00 64.44 C ATOM 1464 CG1 VAL A 94 5.281 4.485 9.372 1.00 5.44 C ATOM 1465 CG2 VAL A 94 6.428 2.209 9.150 1.00 25.43 C ATOM 0 H VAL A 94 4.778 2.637 7.028 1.00 11.02 H new ATOM 0 HA VAL A 94 6.557 4.940 6.912 1.00 35.31 H new ATOM 0 HB VAL A 94 7.387 4.131 9.108 1.00 64.44 H new ATOM 0 HG11 VAL A 94 5.295 4.341 10.452 1.00 5.44 H new ATOM 0 HG12 VAL A 94 5.382 5.547 9.146 1.00 5.44 H new ATOM 0 HG13 VAL A 94 4.338 4.116 8.969 1.00 5.44 H new ATOM 0 HG21 VAL A 94 6.410 2.137 10.237 1.00 25.43 H new ATOM 0 HG22 VAL A 94 5.537 1.734 8.740 1.00 25.43 H new ATOM 0 HG23 VAL A 94 7.316 1.706 8.767 1.00 25.43 H new ATOM 1475 N MET A 95 7.587 1.959 6.017 1.00 51.34 N ATOM 1476 CA MET A 95 8.731 1.151 5.524 1.00 4.13 C ATOM 1477 C MET A 95 9.367 1.752 4.248 1.00 12.44 C ATOM 1478 O MET A 95 8.665 2.041 3.271 1.00 52.25 O ATOM 1479 CB MET A 95 8.315 -0.327 5.272 1.00 15.41 C ATOM 1480 CG MET A 95 7.982 -1.120 6.544 1.00 71.13 C ATOM 1481 SD MET A 95 7.660 -2.873 6.234 1.00 12.12 S ATOM 1482 CE MET A 95 6.295 -2.831 5.068 1.00 51.34 C ATOM 0 H MET A 95 6.679 1.511 5.894 1.00 51.34 H new ATOM 0 HA MET A 95 9.485 1.172 6.311 1.00 4.13 H new ATOM 0 HB2 MET A 95 7.447 -0.340 4.613 1.00 15.41 H new ATOM 0 HB3 MET A 95 9.123 -0.834 4.744 1.00 15.41 H new ATOM 0 HG2 MET A 95 8.810 -1.029 7.247 1.00 71.13 H new ATOM 0 HG3 MET A 95 7.108 -0.677 7.021 1.00 71.13 H new ATOM 0 HE1 MET A 95 6.022 -3.849 4.791 1.00 51.34 H new ATOM 0 HE2 MET A 95 5.439 -2.338 5.528 1.00 51.34 H new ATOM 0 HE3 MET A 95 6.595 -2.280 4.176 1.00 51.34 H new ATOM 1492 N THR A 96 10.706 1.921 4.284 1.00 42.04 N ATOM 1493 CA THR A 96 11.512 2.428 3.139 1.00 74.54 C ATOM 1494 C THR A 96 11.448 1.455 1.942 1.00 11.10 C ATOM 1495 O THR A 96 11.026 0.317 2.107 1.00 21.53 O ATOM 1496 CB THR A 96 13.018 2.612 3.540 1.00 42.42 C ATOM 1497 OG1 THR A 96 13.639 1.328 3.729 1.00 1.25 O ATOM 1498 CG2 THR A 96 13.175 3.444 4.825 1.00 52.20 C ATOM 0 H THR A 96 11.267 1.710 5.110 1.00 42.04 H new ATOM 0 HA THR A 96 11.086 3.391 2.858 1.00 74.54 H new ATOM 0 HB THR A 96 13.506 3.149 2.726 1.00 42.42 H new ATOM 0 HG1 THR A 96 14.579 1.453 3.977 1.00 1.25 H new ATOM 0 HG21 THR A 96 14.233 3.546 5.065 1.00 52.20 H new ATOM 0 HG22 THR A 96 12.740 4.432 4.674 1.00 52.20 H new ATOM 0 HG23 THR A 96 12.663 2.944 5.647 1.00 52.20 H new ATOM 1506 N SER A 97 11.905 1.890 0.752 1.00 64.25 N ATOM 1507 CA SER A 97 11.909 1.025 -0.463 1.00 2.31 C ATOM 1508 C SER A 97 12.805 -0.234 -0.280 1.00 51.33 C ATOM 1509 O SER A 97 12.532 -1.293 -0.856 1.00 15.11 O ATOM 1510 CB SER A 97 12.353 1.825 -1.707 1.00 31.22 C ATOM 1511 OG SER A 97 12.193 1.065 -2.900 1.00 13.23 O ATOM 0 H SER A 97 12.276 2.828 0.598 1.00 64.25 H new ATOM 0 HA SER A 97 10.886 0.681 -0.614 1.00 2.31 H new ATOM 0 HB2 SER A 97 11.769 2.743 -1.778 1.00 31.22 H new ATOM 0 HB3 SER A 97 13.397 2.119 -1.599 1.00 31.22 H new ATOM 0 HG SER A 97 12.481 1.599 -3.669 1.00 13.23 H new ATOM 1517 N GLU A 98 13.852 -0.102 0.560 1.00 22.44 N ATOM 1518 CA GLU A 98 14.752 -1.222 0.930 1.00 23.44 C ATOM 1519 C GLU A 98 14.000 -2.274 1.778 1.00 61.05 C ATOM 1520 O GLU A 98 14.247 -3.472 1.647 1.00 43.04 O ATOM 1521 CB GLU A 98 15.998 -0.715 1.720 1.00 52.24 C ATOM 1522 CG GLU A 98 16.926 0.270 0.966 1.00 11.13 C ATOM 1523 CD GLU A 98 16.332 1.681 0.775 1.00 34.22 C ATOM 1524 OE1 GLU A 98 16.386 2.489 1.722 1.00 52.10 O ATOM 1525 OE2 GLU A 98 15.799 1.985 -0.319 1.00 3.20 O ATOM 0 H GLU A 98 14.100 0.783 1.003 1.00 22.44 H new ATOM 0 HA GLU A 98 15.091 -1.682 0.002 1.00 23.44 H new ATOM 0 HB2 GLU A 98 15.652 -0.230 2.633 1.00 52.24 H new ATOM 0 HB3 GLU A 98 16.588 -1.580 2.022 1.00 52.24 H new ATOM 0 HG2 GLU A 98 17.866 0.355 1.511 1.00 11.13 H new ATOM 0 HG3 GLU A 98 17.162 -0.148 -0.013 1.00 11.13 H new ATOM 1532 N GLU A 99 13.089 -1.796 2.650 1.00 65.15 N ATOM 1533 CA GLU A 99 12.233 -2.662 3.495 1.00 2.12 C ATOM 1534 C GLU A 99 11.058 -3.260 2.683 1.00 62.45 C ATOM 1535 O GLU A 99 10.660 -4.403 2.899 1.00 43.11 O ATOM 1536 CB GLU A 99 11.712 -1.866 4.718 1.00 71.50 C ATOM 1537 CG GLU A 99 12.816 -1.259 5.609 1.00 24.35 C ATOM 1538 CD GLU A 99 13.726 -2.310 6.275 1.00 54.23 C ATOM 1539 OE1 GLU A 99 14.743 -2.717 5.666 1.00 1.34 O ATOM 1540 OE2 GLU A 99 13.429 -2.732 7.414 1.00 1.34 O ATOM 0 H GLU A 99 12.924 -0.799 2.790 1.00 65.15 H new ATOM 0 HA GLU A 99 12.839 -3.495 3.852 1.00 2.12 H new ATOM 0 HB2 GLU A 99 11.067 -1.062 4.363 1.00 71.50 H new ATOM 0 HB3 GLU A 99 11.094 -2.525 5.327 1.00 71.50 H new ATOM 0 HG2 GLU A 99 13.430 -0.590 5.006 1.00 24.35 H new ATOM 0 HG3 GLU A 99 12.350 -0.651 6.385 1.00 24.35 H new ATOM 1547 N MET A 100 10.540 -2.481 1.723 1.00 24.23 N ATOM 1548 CA MET A 100 9.473 -2.919 0.792 1.00 71.41 C ATOM 1549 C MET A 100 9.970 -4.058 -0.146 1.00 51.42 C ATOM 1550 O MET A 100 9.169 -4.855 -0.652 1.00 63.31 O ATOM 1551 CB MET A 100 8.989 -1.694 -0.033 1.00 0.32 C ATOM 1552 CG MET A 100 8.240 -0.616 0.785 1.00 52.14 C ATOM 1553 SD MET A 100 8.071 0.964 -0.090 1.00 45.42 S ATOM 1554 CE MET A 100 7.357 0.457 -1.653 1.00 41.23 C ATOM 0 H MET A 100 10.847 -1.521 1.564 1.00 24.23 H new ATOM 0 HA MET A 100 8.641 -3.322 1.370 1.00 71.41 H new ATOM 0 HB2 MET A 100 9.852 -1.232 -0.512 1.00 0.32 H new ATOM 0 HB3 MET A 100 8.334 -2.046 -0.830 1.00 0.32 H new ATOM 0 HG2 MET A 100 7.248 -0.989 1.041 1.00 52.14 H new ATOM 0 HG3 MET A 100 8.770 -0.449 1.723 1.00 52.14 H new ATOM 0 HE1 MET A 100 7.072 1.339 -2.226 1.00 41.23 H new ATOM 0 HE2 MET A 100 8.089 -0.121 -2.217 1.00 41.23 H new ATOM 0 HE3 MET A 100 6.475 -0.156 -1.468 1.00 41.23 H new ATOM 1564 N ALA A 101 11.301 -4.111 -0.358 1.00 64.02 N ATOM 1565 CA ALA A 101 11.979 -5.172 -1.141 1.00 34.34 C ATOM 1566 C ALA A 101 12.830 -6.119 -0.243 1.00 2.55 C ATOM 1567 O ALA A 101 13.515 -7.005 -0.761 1.00 54.15 O ATOM 1568 CB ALA A 101 12.864 -4.504 -2.216 1.00 21.44 C ATOM 0 H ALA A 101 11.945 -3.412 0.012 1.00 64.02 H new ATOM 0 HA ALA A 101 11.217 -5.794 -1.611 1.00 34.34 H new ATOM 0 HB1 ALA A 101 13.370 -5.273 -2.800 1.00 21.44 H new ATOM 0 HB2 ALA A 101 12.242 -3.898 -2.875 1.00 21.44 H new ATOM 0 HB3 ALA A 101 13.606 -3.869 -1.733 1.00 21.44 H new ATOM 1574 N SER A 102 12.751 -5.946 1.099 1.00 74.13 N ATOM 1575 CA SER A 102 13.636 -6.647 2.077 1.00 34.44 C ATOM 1576 C SER A 102 13.495 -8.182 2.055 1.00 44.35 C ATOM 1577 O SER A 102 12.385 -8.711 2.135 1.00 64.14 O ATOM 1578 CB SER A 102 13.376 -6.151 3.518 1.00 21.34 C ATOM 1579 OG SER A 102 14.213 -6.810 4.461 1.00 34.42 O ATOM 0 H SER A 102 12.076 -5.320 1.538 1.00 74.13 H new ATOM 0 HA SER A 102 14.651 -6.402 1.764 1.00 34.44 H new ATOM 0 HB2 SER A 102 13.547 -5.076 3.569 1.00 21.34 H new ATOM 0 HB3 SER A 102 12.331 -6.320 3.778 1.00 21.34 H new ATOM 0 HG SER A 102 14.140 -6.364 5.331 1.00 34.42 H new ATOM 1585 N ASP A 103 14.649 -8.873 1.993 1.00 53.41 N ATOM 1586 CA ASP A 103 14.730 -10.349 2.073 1.00 73.44 C ATOM 1587 C ASP A 103 14.188 -10.882 3.422 1.00 55.41 C ATOM 1588 O ASP A 103 13.717 -12.026 3.501 1.00 32.45 O ATOM 1589 CB ASP A 103 16.191 -10.795 1.856 1.00 41.04 C ATOM 1590 CG ASP A 103 16.763 -10.289 0.525 1.00 43.01 C ATOM 1591 OD1 ASP A 103 16.612 -10.982 -0.502 1.00 63.04 O ATOM 1592 OD2 ASP A 103 17.328 -9.173 0.499 1.00 31.25 O ATOM 0 H ASP A 103 15.558 -8.423 1.885 1.00 53.41 H new ATOM 0 HA ASP A 103 14.101 -10.771 1.289 1.00 73.44 H new ATOM 0 HB2 ASP A 103 16.807 -10.427 2.677 1.00 41.04 H new ATOM 0 HB3 ASP A 103 16.244 -11.883 1.881 1.00 41.04 H new ATOM 1597 N GLU A 104 14.253 -10.030 4.463 1.00 44.05 N ATOM 1598 CA GLU A 104 13.638 -10.303 5.768 1.00 3.24 C ATOM 1599 C GLU A 104 12.117 -10.507 5.616 1.00 31.43 C ATOM 1600 O GLU A 104 11.619 -11.584 5.906 1.00 45.14 O ATOM 1601 CB GLU A 104 13.926 -9.132 6.752 1.00 54.15 C ATOM 1602 CG GLU A 104 15.423 -8.857 7.014 1.00 2.30 C ATOM 1603 CD GLU A 104 16.143 -10.030 7.702 1.00 23.43 C ATOM 1604 OE1 GLU A 104 15.850 -10.302 8.885 1.00 23.41 O ATOM 1605 OE2 GLU A 104 16.990 -10.695 7.065 1.00 41.43 O ATOM 0 H GLU A 104 14.735 -9.132 4.418 1.00 44.05 H new ATOM 0 HA GLU A 104 14.072 -11.218 6.171 1.00 3.24 H new ATOM 0 HB2 GLU A 104 13.468 -8.225 6.358 1.00 54.15 H new ATOM 0 HB3 GLU A 104 13.439 -9.348 7.703 1.00 54.15 H new ATOM 0 HG2 GLU A 104 15.917 -8.641 6.067 1.00 2.30 H new ATOM 0 HG3 GLU A 104 15.519 -7.966 7.634 1.00 2.30 H new ATOM 1612 N LEU A 105 11.412 -9.484 5.085 1.00 52.51 N ATOM 1613 CA LEU A 105 9.932 -9.513 4.916 1.00 14.02 C ATOM 1614 C LEU A 105 9.466 -10.536 3.852 1.00 60.24 C ATOM 1615 O LEU A 105 8.348 -11.057 3.932 1.00 71.32 O ATOM 1616 CB LEU A 105 9.398 -8.111 4.565 1.00 5.50 C ATOM 1617 CG LEU A 105 9.607 -7.007 5.647 1.00 12.11 C ATOM 1618 CD1 LEU A 105 8.925 -5.698 5.219 1.00 73.43 C ATOM 1619 CD2 LEU A 105 9.101 -7.464 7.040 1.00 63.11 C ATOM 0 H LEU A 105 11.844 -8.618 4.762 1.00 52.51 H new ATOM 0 HA LEU A 105 9.519 -9.833 5.873 1.00 14.02 H new ATOM 0 HB2 LEU A 105 9.877 -7.782 3.643 1.00 5.50 H new ATOM 0 HB3 LEU A 105 8.331 -8.192 4.359 1.00 5.50 H new ATOM 0 HG LEU A 105 10.679 -6.828 5.735 1.00 12.11 H new ATOM 0 HD11 LEU A 105 9.081 -4.939 5.986 1.00 73.43 H new ATOM 0 HD12 LEU A 105 9.353 -5.356 4.277 1.00 73.43 H new ATOM 0 HD13 LEU A 105 7.856 -5.870 5.091 1.00 73.43 H new ATOM 0 HD21 LEU A 105 9.264 -6.667 7.766 1.00 63.11 H new ATOM 0 HD22 LEU A 105 8.036 -7.691 6.984 1.00 63.11 H new ATOM 0 HD23 LEU A 105 9.646 -8.355 7.351 1.00 63.11 H new ATOM 1631 N LYS A 106 10.336 -10.822 2.863 1.00 41.51 N ATOM 1632 CA LYS A 106 10.068 -11.856 1.836 1.00 72.14 C ATOM 1633 C LYS A 106 10.127 -13.289 2.429 1.00 61.24 C ATOM 1634 O LYS A 106 9.742 -14.255 1.765 1.00 34.44 O ATOM 1635 CB LYS A 106 11.038 -11.707 0.638 1.00 42.02 C ATOM 1636 CG LYS A 106 10.872 -10.373 -0.132 1.00 73.51 C ATOM 1637 CD LYS A 106 11.588 -10.335 -1.503 1.00 21.12 C ATOM 1638 CE LYS A 106 13.136 -10.315 -1.441 1.00 13.50 C ATOM 1639 NZ LYS A 106 13.730 -11.626 -1.061 1.00 12.31 N ATOM 0 H LYS A 106 11.234 -10.351 2.751 1.00 41.51 H new ATOM 0 HA LYS A 106 9.052 -11.701 1.473 1.00 72.14 H new ATOM 0 HB2 LYS A 106 12.063 -11.783 1.000 1.00 42.02 H new ATOM 0 HB3 LYS A 106 10.881 -12.537 -0.051 1.00 42.02 H new ATOM 0 HG2 LYS A 106 9.809 -10.185 -0.285 1.00 73.51 H new ATOM 0 HG3 LYS A 106 11.253 -9.560 0.486 1.00 73.51 H new ATOM 0 HD2 LYS A 106 11.275 -11.204 -2.082 1.00 21.12 H new ATOM 0 HD3 LYS A 106 11.251 -9.452 -2.046 1.00 21.12 H new ATOM 0 HE2 LYS A 106 13.527 -10.016 -2.413 1.00 13.50 H new ATOM 0 HE3 LYS A 106 13.454 -9.559 -0.723 1.00 13.50 H new ATOM 0 HZ1 LYS A 106 14.765 -11.535 -1.005 1.00 12.31 H new ATOM 0 HZ2 LYS A 106 13.358 -11.921 -0.136 1.00 12.31 H new ATOM 0 HZ3 LYS A 106 13.483 -12.339 -1.777 1.00 12.31 H new ATOM 1653 N GLU A 107 10.646 -13.416 3.669 1.00 61.44 N ATOM 1654 CA GLU A 107 10.586 -14.669 4.466 1.00 75.54 C ATOM 1655 C GLU A 107 9.666 -14.529 5.712 1.00 1.33 C ATOM 1656 O GLU A 107 9.195 -15.537 6.257 1.00 15.14 O ATOM 1657 CB GLU A 107 12.016 -15.109 4.876 1.00 73.50 C ATOM 1658 CG GLU A 107 12.877 -15.598 3.687 1.00 24.12 C ATOM 1659 CD GLU A 107 14.294 -16.052 4.078 1.00 14.14 C ATOM 1660 OE1 GLU A 107 14.421 -16.992 4.893 1.00 11.33 O ATOM 1661 OE2 GLU A 107 15.283 -15.492 3.554 1.00 61.14 O ATOM 0 H GLU A 107 11.121 -12.652 4.151 1.00 61.44 H new ATOM 0 HA GLU A 107 10.145 -15.442 3.836 1.00 75.54 H new ATOM 0 HB2 GLU A 107 12.520 -14.272 5.359 1.00 73.50 H new ATOM 0 HB3 GLU A 107 11.944 -15.907 5.615 1.00 73.50 H new ATOM 0 HG2 GLU A 107 12.364 -16.427 3.198 1.00 24.12 H new ATOM 0 HG3 GLU A 107 12.954 -14.795 2.955 1.00 24.12 H new ATOM 1668 N ILE A 108 9.420 -13.280 6.166 1.00 61.22 N ATOM 1669 CA ILE A 108 8.464 -12.989 7.263 1.00 34.41 C ATOM 1670 C ILE A 108 7.032 -12.886 6.662 1.00 25.23 C ATOM 1671 O ILE A 108 6.496 -11.802 6.389 1.00 40.35 O ATOM 1672 CB ILE A 108 8.887 -11.694 8.091 1.00 44.23 C ATOM 1673 CG1 ILE A 108 10.299 -11.897 8.751 1.00 20.23 C ATOM 1674 CG2 ILE A 108 7.837 -11.296 9.166 1.00 14.25 C ATOM 1675 CD1 ILE A 108 10.416 -13.100 9.681 1.00 74.34 C ATOM 0 H ILE A 108 9.874 -12.449 5.787 1.00 61.22 H new ATOM 0 HA ILE A 108 8.477 -13.804 7.987 1.00 34.41 H new ATOM 0 HB ILE A 108 8.938 -10.870 7.379 1.00 44.23 H new ATOM 0 HG12 ILE A 108 11.041 -11.997 7.959 1.00 20.23 H new ATOM 0 HG13 ILE A 108 10.552 -10.998 9.313 1.00 20.23 H new ATOM 0 HG21 ILE A 108 8.179 -10.408 9.698 1.00 14.25 H new ATOM 0 HG22 ILE A 108 6.883 -11.084 8.682 1.00 14.25 H new ATOM 0 HG23 ILE A 108 7.711 -12.116 9.873 1.00 14.25 H new ATOM 0 HD11 ILE A 108 11.427 -13.151 10.084 1.00 74.34 H new ATOM 0 HD12 ILE A 108 9.704 -12.998 10.500 1.00 74.34 H new ATOM 0 HD13 ILE A 108 10.201 -14.012 9.125 1.00 74.34 H new ATOM 1687 N ARG A 109 6.480 -14.073 6.369 1.00 31.11 N ATOM 1688 CA ARG A 109 5.143 -14.257 5.780 1.00 43.32 C ATOM 1689 C ARG A 109 4.183 -14.791 6.861 1.00 23.40 C ATOM 1690 O ARG A 109 4.343 -15.939 7.307 1.00 2.10 O ATOM 1691 CB ARG A 109 5.248 -15.251 4.610 1.00 44.15 C ATOM 1692 CG ARG A 109 3.948 -15.425 3.804 1.00 51.42 C ATOM 1693 CD ARG A 109 4.073 -16.539 2.765 1.00 72.33 C ATOM 1694 NE ARG A 109 4.216 -17.870 3.395 1.00 43.21 N ATOM 1695 CZ ARG A 109 5.130 -18.777 3.108 1.00 3.32 C ATOM 1696 NH1 ARG A 109 6.048 -18.568 2.216 1.00 11.41 N ATOM 1697 NH2 ARG A 109 5.125 -19.904 3.740 1.00 45.03 N ATOM 0 H ARG A 109 6.963 -14.955 6.539 1.00 31.11 H new ATOM 0 HA ARG A 109 4.757 -13.308 5.407 1.00 43.32 H new ATOM 0 HB2 ARG A 109 6.037 -14.918 3.936 1.00 44.15 H new ATOM 0 HB3 ARG A 109 5.552 -16.222 5.001 1.00 44.15 H new ATOM 0 HG2 ARG A 109 3.126 -15.651 4.483 1.00 51.42 H new ATOM 0 HG3 ARG A 109 3.701 -14.488 3.305 1.00 51.42 H new ATOM 0 HD2 ARG A 109 3.193 -16.535 2.121 1.00 72.33 H new ATOM 0 HD3 ARG A 109 4.935 -16.345 2.127 1.00 72.33 H new ATOM 0 HE ARG A 109 3.542 -18.110 4.122 1.00 43.21 H new ATOM 0 HH11 ARG A 109 6.078 -17.681 1.713 1.00 11.41 H new ATOM 0 HH12 ARG A 109 6.740 -19.290 2.018 1.00 11.41 H new ATOM 0 HH21 ARG A 109 4.419 -20.086 4.453 1.00 45.03 H new ATOM 0 HH22 ARG A 109 5.827 -20.612 3.526 1.00 45.03 H new ATOM 1711 N LYS A 110 3.241 -13.932 7.327 1.00 73.24 N ATOM 1712 CA LYS A 110 2.255 -14.284 8.395 1.00 22.02 C ATOM 1713 C LYS A 110 2.970 -14.596 9.764 1.00 40.53 C ATOM 1714 O LYS A 110 2.349 -15.077 10.723 1.00 45.25 O ATOM 1715 CB LYS A 110 1.349 -15.469 7.898 1.00 40.51 C ATOM 1716 CG LYS A 110 0.153 -15.858 8.804 1.00 0.21 C ATOM 1717 CD LYS A 110 -0.919 -14.755 8.926 1.00 12.40 C ATOM 1718 CE LYS A 110 -1.618 -14.445 7.592 1.00 15.22 C ATOM 1719 NZ LYS A 110 -2.734 -13.485 7.774 1.00 23.44 N ATOM 0 H LYS A 110 3.139 -12.979 6.978 1.00 73.24 H new ATOM 0 HA LYS A 110 1.612 -13.426 8.588 1.00 22.02 H new ATOM 0 HB2 LYS A 110 0.960 -15.210 6.913 1.00 40.51 H new ATOM 0 HB3 LYS A 110 1.979 -16.349 7.770 1.00 40.51 H new ATOM 0 HG2 LYS A 110 -0.312 -16.761 8.409 1.00 0.21 H new ATOM 0 HG3 LYS A 110 0.526 -16.101 9.799 1.00 0.21 H new ATOM 0 HD2 LYS A 110 -1.666 -15.062 9.658 1.00 12.40 H new ATOM 0 HD3 LYS A 110 -0.454 -13.845 9.306 1.00 12.40 H new ATOM 0 HE2 LYS A 110 -0.895 -14.034 6.888 1.00 15.22 H new ATOM 0 HE3 LYS A 110 -1.999 -15.369 7.156 1.00 15.22 H new ATOM 0 HZ1 LYS A 110 -2.753 -12.820 6.975 1.00 23.44 H new ATOM 0 HZ2 LYS A 110 -3.635 -14.003 7.815 1.00 23.44 H new ATOM 0 HZ3 LYS A 110 -2.598 -12.958 8.660 1.00 23.44 H new ATOM 1733 N ALA A 111 4.280 -14.257 9.857 1.00 31.30 N ATOM 1734 CA ALA A 111 5.120 -14.560 11.036 1.00 43.44 C ATOM 1735 C ALA A 111 4.819 -13.591 12.206 1.00 31.24 C ATOM 1736 O ALA A 111 5.480 -12.560 12.376 1.00 50.13 O ATOM 1737 CB ALA A 111 6.614 -14.544 10.651 1.00 55.02 C ATOM 0 H ALA A 111 4.781 -13.766 9.116 1.00 31.30 H new ATOM 0 HA ALA A 111 4.874 -15.563 11.383 1.00 43.44 H new ATOM 0 HB1 ALA A 111 7.219 -14.769 11.530 1.00 55.02 H new ATOM 0 HB2 ALA A 111 6.799 -15.293 9.882 1.00 55.02 H new ATOM 0 HB3 ALA A 111 6.881 -13.558 10.269 1.00 55.02 H new ATOM 1743 N MET A 112 3.762 -13.920 12.964 1.00 73.02 N ATOM 1744 CA MET A 112 3.329 -13.152 14.157 1.00 65.11 C ATOM 1745 C MET A 112 4.002 -13.677 15.454 1.00 1.03 C ATOM 1746 O MET A 112 3.856 -13.061 16.515 1.00 2.43 O ATOM 1747 CB MET A 112 1.782 -13.216 14.271 1.00 24.13 C ATOM 1748 CG MET A 112 1.207 -14.634 14.458 1.00 32.01 C ATOM 1749 SD MET A 112 -0.598 -14.688 14.359 1.00 54.35 S ATOM 1750 CE MET A 112 -0.888 -14.169 12.666 1.00 30.43 C ATOM 0 H MET A 112 3.175 -14.731 12.771 1.00 73.02 H new ATOM 0 HA MET A 112 3.642 -12.115 14.036 1.00 65.11 H new ATOM 0 HB2 MET A 112 1.468 -12.598 15.112 1.00 24.13 H new ATOM 0 HB3 MET A 112 1.347 -12.778 13.373 1.00 24.13 H new ATOM 0 HG2 MET A 112 1.626 -15.293 13.697 1.00 32.01 H new ATOM 0 HG3 MET A 112 1.523 -15.023 15.426 1.00 32.01 H new ATOM 0 HE1 MET A 112 -1.876 -14.502 12.348 1.00 30.43 H new ATOM 0 HE2 MET A 112 -0.834 -13.082 12.604 1.00 30.43 H new ATOM 0 HE3 MET A 112 -0.131 -14.607 12.016 1.00 30.43 H new ATOM 1760 N THR A 113 4.727 -14.821 15.329 1.00 12.11 N ATOM 1761 CA THR A 113 5.482 -15.486 16.430 1.00 52.14 C ATOM 1762 C THR A 113 4.530 -16.068 17.525 1.00 75.21 C ATOM 1763 O THR A 113 4.231 -17.280 17.483 1.00 36.34 O ATOM 1764 CB THR A 113 6.575 -14.546 17.073 1.00 2.44 C ATOM 1765 OG1 THR A 113 7.435 -14.042 16.043 1.00 12.12 O ATOM 1766 CG2 THR A 113 7.442 -15.267 18.127 1.00 35.42 C ATOM 1767 OXT THR A 113 4.076 -15.317 18.419 1.00 36.34 O ATOM 0 H THR A 113 4.806 -15.318 14.442 1.00 12.11 H new ATOM 0 HA THR A 113 6.010 -16.321 15.969 1.00 52.14 H new ATOM 0 HB THR A 113 6.042 -13.739 17.576 1.00 2.44 H new ATOM 0 HG1 THR A 113 8.113 -13.457 16.440 1.00 12.12 H new ATOM 0 HG21 THR A 113 8.175 -14.570 18.534 1.00 35.42 H new ATOM 0 HG22 THR A 113 6.806 -15.635 18.932 1.00 35.42 H new ATOM 0 HG23 THR A 113 7.959 -16.106 17.661 1.00 35.42 H new TER 1775 THR A 113