USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 869 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 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 116 LYS NZ :NH3+ 174:sc=-0.00196 (180deg=-0.0945) USER MOD Set 2.1: A 30 ASN : amide:sc= 0 X(o=1.3,f=1.2) USER MOD Set 2.2: A 81 THR OG1 : rot 35:sc= 1.3 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.379 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0166 (180deg=-0.187) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -0.0377 (180deg=-0.241) USER MOD Single : A 46 ASN : amide:sc= -0.0683 X(o=-0.068,f=-0.19) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0357 USER MOD Single : A 55 SER OG : rot 42:sc= 0.0991 USER MOD Single : A 64 GLN : amide:sc= -0.452 K(o=-0.45,f=-5.6!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= -0.0117 (180deg=-0.179) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -167:sc= -0.0158 (180deg=-0.197) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 142:sc= 1.28 (180deg=1.01) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= -0.0321 (180deg=-0.213) USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= 1.06 (180deg=0.903) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0713 F(o=-1.4!,f=-0.071) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 27:sc= 1.18 USER MOD Single : A 111 SER OG : rot -23:sc= 0.69 USER MOD Single : A 120 LYS NZ :NH3+ -171:sc=-0.000989 (180deg=-0.0737) USER MOD Single : A 123 SER OG : rot 88:sc= -0.345 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 4.288 -16.752 -0.483 1.00 1.82 N ATOM 2 CA MET A 21 3.848 -15.545 0.253 1.00 1.48 C ATOM 3 C MET A 21 3.864 -14.338 -0.669 1.00 1.22 C ATOM 4 O MET A 21 4.814 -14.131 -1.424 1.00 1.47 O ATOM 5 CB MET A 21 4.753 -15.279 1.461 1.00 1.86 C ATOM 6 CG MET A 21 4.539 -16.236 2.626 1.00 1.95 C ATOM 7 SD MET A 21 4.873 -17.956 2.200 1.00 2.87 S ATOM 8 CE MET A 21 4.697 -18.733 3.804 1.00 3.09 C ATOM 0 HA MET A 21 2.833 -15.718 0.610 1.00 1.48 H new ATOM 0 HB2 MET A 21 5.793 -15.341 1.142 1.00 1.86 H new ATOM 0 HB3 MET A 21 4.586 -14.259 1.808 1.00 1.86 H new ATOM 0 HG2 MET A 21 5.184 -15.941 3.454 1.00 1.95 H new ATOM 0 HG3 MET A 21 3.511 -16.148 2.976 1.00 1.95 H new ATOM 0 HE1 MET A 21 4.874 -19.805 3.711 1.00 3.09 H new ATOM 0 HE2 MET A 21 5.421 -18.305 4.497 1.00 3.09 H new ATOM 0 HE3 MET A 21 3.689 -18.563 4.182 1.00 3.09 H new ATOM 17 N ARG A 22 2.811 -13.544 -0.617 1.00 0.88 N ATOM 18 CA ARG A 22 2.715 -12.365 -1.458 1.00 0.73 C ATOM 19 C ARG A 22 2.676 -11.099 -0.620 1.00 0.55 C ATOM 20 O ARG A 22 1.626 -10.722 -0.101 1.00 0.56 O ATOM 21 CB ARG A 22 1.480 -12.435 -2.360 1.00 0.86 C ATOM 22 CG ARG A 22 1.530 -13.555 -3.389 1.00 1.33 C ATOM 23 CD ARG A 22 2.835 -13.540 -4.170 1.00 1.33 C ATOM 24 NE ARG A 22 3.144 -12.214 -4.698 1.00 1.91 N ATOM 25 CZ ARG A 22 4.244 -11.531 -4.391 1.00 2.43 C ATOM 26 NH1 ARG A 22 5.169 -12.061 -3.594 1.00 2.62 N ATOM 27 NH2 ARG A 22 4.420 -10.313 -4.877 1.00 3.31 N ATOM 0 H ARG A 22 2.011 -13.693 -0.002 1.00 0.88 H new ATOM 0 HA ARG A 22 3.605 -12.337 -2.087 1.00 0.73 H new ATOM 0 HB2 ARG A 22 0.595 -12.566 -1.738 1.00 0.86 H new ATOM 0 HB3 ARG A 22 1.367 -11.483 -2.879 1.00 0.86 H new ATOM 0 HG2 ARG A 22 1.417 -14.516 -2.887 1.00 1.33 H new ATOM 0 HG3 ARG A 22 0.692 -13.454 -4.078 1.00 1.33 H new ATOM 0 HD2 ARG A 22 3.648 -13.871 -3.523 1.00 1.33 H new ATOM 0 HD3 ARG A 22 2.773 -14.252 -4.993 1.00 1.33 H new ATOM 0 HE ARG A 22 2.477 -11.786 -5.340 1.00 1.91 H new ATOM 0 HH11 ARG A 22 5.038 -12.998 -3.213 1.00 2.62 H new ATOM 0 HH12 ARG A 22 6.009 -11.530 -3.364 1.00 2.62 H new ATOM 0 HH21 ARG A 22 3.713 -9.900 -5.485 1.00 3.31 H new ATOM 0 HH22 ARG A 22 5.262 -9.787 -4.643 1.00 3.31 H new ATOM 41 N LEU A 23 3.825 -10.454 -0.485 1.00 0.51 N ATOM 42 CA LEU A 23 3.914 -9.190 0.231 1.00 0.43 C ATOM 43 C LEU A 23 3.761 -8.036 -0.751 1.00 0.37 C ATOM 44 O LEU A 23 4.706 -7.673 -1.458 1.00 0.40 O ATOM 45 CB LEU A 23 5.250 -9.086 0.972 1.00 0.58 C ATOM 46 CG LEU A 23 5.533 -10.216 1.967 1.00 1.05 C ATOM 47 CD1 LEU A 23 6.891 -10.025 2.621 1.00 1.76 C ATOM 48 CD2 LEU A 23 4.441 -10.284 3.024 1.00 1.55 C ATOM 0 H LEU A 23 4.712 -10.787 -0.863 1.00 0.51 H new ATOM 0 HA LEU A 23 3.112 -9.142 0.968 1.00 0.43 H new ATOM 0 HB2 LEU A 23 6.054 -9.061 0.237 1.00 0.58 H new ATOM 0 HB3 LEU A 23 5.278 -8.137 1.507 1.00 0.58 H new ATOM 0 HG LEU A 23 5.543 -11.158 1.419 1.00 1.05 H new ATOM 0 HD11 LEU A 23 7.074 -10.837 3.324 1.00 1.76 H new ATOM 0 HD12 LEU A 23 7.667 -10.026 1.855 1.00 1.76 H new ATOM 0 HD13 LEU A 23 6.908 -9.074 3.153 1.00 1.76 H new ATOM 0 HD21 LEU A 23 4.660 -11.093 3.721 1.00 1.55 H new ATOM 0 HD22 LEU A 23 4.399 -9.339 3.566 1.00 1.55 H new ATOM 0 HD23 LEU A 23 3.480 -10.469 2.543 1.00 1.55 H new ATOM 60 N VAL A 24 2.566 -7.472 -0.800 1.00 0.35 N ATOM 61 CA VAL A 24 2.236 -6.462 -1.793 1.00 0.37 C ATOM 62 C VAL A 24 2.168 -5.071 -1.173 1.00 0.38 C ATOM 63 O VAL A 24 1.552 -4.876 -0.125 1.00 0.42 O ATOM 64 CB VAL A 24 0.888 -6.783 -2.475 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.585 -5.784 -3.584 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.887 -8.204 -3.018 1.00 0.45 C ATOM 0 H VAL A 24 1.804 -7.698 -0.160 1.00 0.35 H new ATOM 0 HA VAL A 24 3.031 -6.474 -2.539 1.00 0.37 H new ATOM 0 HB VAL A 24 0.102 -6.701 -1.724 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.370 -6.033 -4.047 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.533 -4.779 -3.165 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.374 -5.824 -4.335 1.00 0.46 H new ATOM 0 HG21 VAL A 24 -0.071 -8.411 -3.495 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.687 -8.315 -3.750 1.00 0.45 H new ATOM 0 HG23 VAL A 24 1.044 -8.906 -2.199 1.00 0.45 H new ATOM 76 N VAL A 25 2.807 -4.110 -1.825 1.00 0.39 N ATOM 77 CA VAL A 25 2.777 -2.727 -1.382 1.00 0.41 C ATOM 78 C VAL A 25 2.207 -1.841 -2.484 1.00 0.39 C ATOM 79 O VAL A 25 2.831 -1.643 -3.528 1.00 0.42 O ATOM 80 CB VAL A 25 4.180 -2.209 -0.996 1.00 0.46 C ATOM 81 CG1 VAL A 25 4.086 -0.827 -0.363 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.882 -3.180 -0.060 1.00 0.52 C ATOM 0 H VAL A 25 3.357 -4.267 -2.670 1.00 0.39 H new ATOM 0 HA VAL A 25 2.144 -2.686 -0.495 1.00 0.41 H new ATOM 0 HB VAL A 25 4.773 -2.131 -1.907 1.00 0.46 H new ATOM 0 HG11 VAL A 25 5.085 -0.479 -0.098 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.636 -0.132 -1.072 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.470 -0.879 0.535 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.867 -2.791 0.196 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.292 -3.300 0.849 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.990 -4.146 -0.553 1.00 0.52 H new ATOM 92 N LEU A 26 1.016 -1.324 -2.250 1.00 0.40 N ATOM 93 CA LEU A 26 0.345 -0.472 -3.216 1.00 0.38 C ATOM 94 C LEU A 26 0.377 0.972 -2.745 1.00 0.37 C ATOM 95 O LEU A 26 -0.236 1.322 -1.739 1.00 0.48 O ATOM 96 CB LEU A 26 -1.091 -0.952 -3.416 1.00 0.46 C ATOM 97 CG LEU A 26 -1.217 -2.244 -4.220 1.00 0.56 C ATOM 98 CD1 LEU A 26 -2.513 -2.959 -3.892 1.00 1.15 C ATOM 99 CD2 LEU A 26 -1.153 -1.945 -5.706 1.00 1.33 C ATOM 0 H LEU A 26 0.488 -1.481 -1.391 1.00 0.40 H new ATOM 0 HA LEU A 26 0.863 -0.528 -4.173 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.551 -1.100 -2.439 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.657 -0.168 -3.920 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.385 -2.895 -3.951 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -2.580 -3.876 -4.477 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -2.535 -3.203 -2.830 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -3.357 -2.312 -4.133 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -1.244 -2.874 -6.268 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -1.969 -1.275 -5.978 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -0.200 -1.471 -5.941 1.00 1.33 H new ATOM 111 N ILE A 27 1.100 1.806 -3.471 1.00 0.33 N ATOM 112 CA ILE A 27 1.358 3.162 -3.020 1.00 0.36 C ATOM 113 C ILE A 27 0.750 4.201 -3.957 1.00 0.39 C ATOM 114 O ILE A 27 0.866 4.109 -5.181 1.00 0.40 O ATOM 115 CB ILE A 27 2.878 3.417 -2.866 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.146 4.852 -2.397 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.608 3.135 -4.172 1.00 1.32 C ATOM 118 CD1 ILE A 27 4.611 5.147 -2.147 1.00 1.36 C ATOM 0 H ILE A 27 1.517 1.570 -4.371 1.00 0.33 H new ATOM 0 HA ILE A 27 0.880 3.266 -2.046 1.00 0.36 H new ATOM 0 HB ILE A 27 3.259 2.734 -2.107 1.00 0.44 H new ATOM 0 HG12 ILE A 27 2.767 5.547 -3.147 1.00 0.93 H new ATOM 0 HG13 ILE A 27 2.586 5.036 -1.480 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.674 3.321 -4.040 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.454 2.095 -4.458 1.00 1.32 H new ATOM 0 HG23 ILE A 27 3.220 3.788 -4.954 1.00 1.32 H new ATOM 0 HD11 ILE A 27 4.723 6.180 -1.818 1.00 1.36 H new ATOM 0 HD12 ILE A 27 4.990 4.477 -1.375 1.00 1.36 H new ATOM 0 HD13 ILE A 27 5.175 4.996 -3.068 1.00 1.36 H new ATOM 130 N VAL A 28 0.081 5.174 -3.362 1.00 0.48 N ATOM 131 CA VAL A 28 -0.416 6.330 -4.081 1.00 0.56 C ATOM 132 C VAL A 28 0.120 7.595 -3.420 1.00 0.86 C ATOM 133 O VAL A 28 -0.322 7.990 -2.338 1.00 1.37 O ATOM 134 CB VAL A 28 -1.967 6.358 -4.142 1.00 0.77 C ATOM 135 CG1 VAL A 28 -2.589 6.152 -2.771 1.00 1.12 C ATOM 136 CG2 VAL A 28 -2.454 7.662 -4.753 1.00 1.17 C ATOM 0 H VAL A 28 -0.132 5.183 -2.365 1.00 0.48 H new ATOM 0 HA VAL A 28 -0.064 6.272 -5.111 1.00 0.56 H new ATOM 0 HB VAL A 28 -2.284 5.530 -4.776 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -3.675 6.178 -2.857 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -2.280 5.186 -2.373 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -2.259 6.944 -2.099 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -3.543 7.663 -4.787 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -2.109 8.499 -4.146 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.059 7.760 -5.764 1.00 1.17 H new ATOM 146 N SER A 29 1.115 8.211 -4.042 1.00 0.85 N ATOM 147 CA SER A 29 1.770 9.355 -3.437 1.00 1.25 C ATOM 148 C SER A 29 2.216 10.380 -4.474 1.00 0.83 C ATOM 149 O SER A 29 1.992 10.209 -5.675 1.00 1.53 O ATOM 150 CB SER A 29 2.964 8.892 -2.599 1.00 2.38 C ATOM 151 OG SER A 29 2.547 8.028 -1.555 1.00 3.23 O ATOM 0 H SER A 29 1.481 7.940 -4.955 1.00 0.85 H new ATOM 0 HA SER A 29 1.041 9.847 -2.792 1.00 1.25 H new ATOM 0 HB2 SER A 29 3.683 8.377 -3.237 1.00 2.38 H new ATOM 0 HB3 SER A 29 3.475 9.758 -2.177 1.00 2.38 H new ATOM 0 HG SER A 29 3.327 7.744 -1.034 1.00 3.23 H new ATOM 157 N ASN A 30 2.845 11.441 -3.986 1.00 1.19 N ATOM 158 CA ASN A 30 3.319 12.533 -4.824 1.00 1.67 C ATOM 159 C ASN A 30 4.615 12.160 -5.534 1.00 1.19 C ATOM 160 O ASN A 30 5.012 10.996 -5.522 1.00 1.38 O ATOM 161 CB ASN A 30 3.524 13.803 -3.992 1.00 2.93 C ATOM 162 CG ASN A 30 2.222 14.383 -3.480 1.00 3.86 C ATOM 163 OD1 ASN A 30 1.767 14.050 -2.386 1.00 4.32 O ATOM 164 ND2 ASN A 30 1.614 15.256 -4.266 1.00 4.58 N ATOM 0 H ASN A 30 3.041 11.568 -2.993 1.00 1.19 H new ATOM 0 HA ASN A 30 2.557 12.725 -5.579 1.00 1.67 H new ATOM 0 HB2 ASN A 30 4.174 13.577 -3.146 1.00 2.93 H new ATOM 0 HB3 ASN A 30 4.037 14.550 -4.598 1.00 2.93 H new ATOM 0 HD21 ASN A 30 0.734 15.680 -3.972 1.00 4.58 H new ATOM 0 HD22 ASN A 30 2.025 15.505 -5.166 1.00 4.58 H new ATOM 171 N ASP A 31 5.216 13.177 -6.171 1.00 1.45 N ATOM 172 CA ASP A 31 6.483 13.100 -6.933 1.00 1.18 C ATOM 173 C ASP A 31 7.239 11.776 -6.795 1.00 0.94 C ATOM 174 O ASP A 31 7.564 11.327 -5.688 1.00 1.28 O ATOM 175 CB ASP A 31 7.403 14.247 -6.516 1.00 1.61 C ATOM 176 CG ASP A 31 8.618 14.366 -7.413 1.00 1.74 C ATOM 177 OD1 ASP A 31 9.608 13.647 -7.188 1.00 2.03 O ATOM 178 OD2 ASP A 31 8.589 15.183 -8.354 1.00 2.29 O ATOM 0 H ASP A 31 4.820 14.117 -6.172 1.00 1.45 H new ATOM 0 HA ASP A 31 6.196 13.175 -7.982 1.00 1.18 H new ATOM 0 HB2 ASP A 31 6.845 15.183 -6.538 1.00 1.61 H new ATOM 0 HB3 ASP A 31 7.728 14.093 -5.487 1.00 1.61 H new ATOM 183 N LYS A 32 7.578 11.207 -7.946 1.00 0.79 N ATOM 184 CA LYS A 32 8.145 9.866 -8.038 1.00 0.82 C ATOM 185 C LYS A 32 9.473 9.712 -7.294 1.00 0.66 C ATOM 186 O LYS A 32 9.907 8.590 -7.064 1.00 0.68 O ATOM 187 CB LYS A 32 8.333 9.483 -9.505 1.00 1.24 C ATOM 188 CG LYS A 32 7.042 9.503 -10.306 1.00 1.77 C ATOM 189 CD LYS A 32 7.287 9.249 -11.786 1.00 2.22 C ATOM 190 CE LYS A 32 7.800 7.842 -12.042 1.00 3.17 C ATOM 191 NZ LYS A 32 8.053 7.600 -13.486 1.00 3.77 N ATOM 0 H LYS A 32 7.466 11.667 -8.850 1.00 0.79 H new ATOM 0 HA LYS A 32 7.435 9.196 -7.553 1.00 0.82 H new ATOM 0 HB2 LYS A 32 9.046 10.168 -9.963 1.00 1.24 H new ATOM 0 HB3 LYS A 32 8.770 8.486 -9.559 1.00 1.24 H new ATOM 0 HG2 LYS A 32 6.361 8.746 -9.916 1.00 1.77 H new ATOM 0 HG3 LYS A 32 6.552 10.468 -10.180 1.00 1.77 H new ATOM 0 HD2 LYS A 32 6.361 9.404 -12.339 1.00 2.22 H new ATOM 0 HD3 LYS A 32 8.009 9.973 -12.164 1.00 2.22 H new ATOM 0 HE2 LYS A 32 8.721 7.683 -11.480 1.00 3.17 H new ATOM 0 HE3 LYS A 32 7.073 7.118 -11.674 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 8.402 6.629 -13.619 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 7.169 7.727 -14.019 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 8.765 8.274 -13.831 1.00 3.77 H new ATOM 205 N LYS A 33 10.114 10.818 -6.918 1.00 0.71 N ATOM 206 CA LYS A 33 11.373 10.750 -6.172 1.00 0.75 C ATOM 207 C LYS A 33 11.214 9.875 -4.932 1.00 0.68 C ATOM 208 O LYS A 33 12.061 9.027 -4.638 1.00 0.78 O ATOM 209 CB LYS A 33 11.836 12.153 -5.767 1.00 0.95 C ATOM 210 CG LYS A 33 13.047 12.160 -4.848 1.00 1.45 C ATOM 211 CD LYS A 33 13.499 13.575 -4.537 1.00 1.86 C ATOM 212 CE LYS A 33 14.630 13.592 -3.522 1.00 2.71 C ATOM 213 NZ LYS A 33 14.185 13.115 -2.185 1.00 3.23 N ATOM 0 H LYS A 33 9.787 11.764 -7.115 1.00 0.71 H new ATOM 0 HA LYS A 33 12.128 10.306 -6.820 1.00 0.75 H new ATOM 0 HB2 LYS A 33 12.072 12.721 -6.667 1.00 0.95 H new ATOM 0 HB3 LYS A 33 11.013 12.668 -5.271 1.00 0.95 H new ATOM 0 HG2 LYS A 33 12.804 11.642 -3.920 1.00 1.45 H new ATOM 0 HG3 LYS A 33 13.864 11.610 -5.316 1.00 1.45 H new ATOM 0 HD2 LYS A 33 13.826 14.063 -5.455 1.00 1.86 H new ATOM 0 HD3 LYS A 33 12.657 14.150 -4.153 1.00 1.86 H new ATOM 0 HE2 LYS A 33 15.446 12.964 -3.878 1.00 2.71 H new ATOM 0 HE3 LYS A 33 15.023 14.605 -3.433 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 14.910 13.345 -1.475 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 13.291 13.581 -1.930 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 14.043 12.085 -2.213 1.00 3.23 H new ATOM 227 N LEU A 34 10.110 10.076 -4.227 1.00 0.61 N ATOM 228 CA LEU A 34 9.800 9.294 -3.042 1.00 0.64 C ATOM 229 C LEU A 34 9.447 7.858 -3.419 1.00 0.53 C ATOM 230 O LEU A 34 9.877 6.905 -2.764 1.00 0.62 O ATOM 231 CB LEU A 34 8.645 9.954 -2.279 1.00 0.70 C ATOM 232 CG LEU A 34 7.902 9.061 -1.284 1.00 0.82 C ATOM 233 CD1 LEU A 34 7.650 9.807 0.012 1.00 1.39 C ATOM 234 CD2 LEU A 34 6.585 8.586 -1.879 1.00 1.38 C ATOM 0 H LEU A 34 9.410 10.780 -4.459 1.00 0.61 H new ATOM 0 HA LEU A 34 10.679 9.263 -2.398 1.00 0.64 H new ATOM 0 HB2 LEU A 34 9.038 10.816 -1.740 1.00 0.70 H new ATOM 0 HB3 LEU A 34 7.925 10.332 -3.005 1.00 0.70 H new ATOM 0 HG LEU A 34 8.524 8.192 -1.071 1.00 0.82 H new ATOM 0 HD11 LEU A 34 7.120 9.157 0.709 1.00 1.39 H new ATOM 0 HD12 LEU A 34 8.602 10.109 0.449 1.00 1.39 H new ATOM 0 HD13 LEU A 34 7.046 10.692 -0.189 1.00 1.39 H new ATOM 0 HD21 LEU A 34 6.068 7.952 -1.159 1.00 1.38 H new ATOM 0 HD22 LEU A 34 5.961 9.448 -2.117 1.00 1.38 H new ATOM 0 HD23 LEU A 34 6.781 8.018 -2.788 1.00 1.38 H new ATOM 246 N ILE A 35 8.679 7.716 -4.492 1.00 0.43 N ATOM 247 CA ILE A 35 8.197 6.414 -4.931 1.00 0.43 C ATOM 248 C ILE A 35 9.349 5.518 -5.374 1.00 0.46 C ATOM 249 O ILE A 35 9.430 4.362 -4.969 1.00 0.52 O ATOM 250 CB ILE A 35 7.180 6.553 -6.081 1.00 0.47 C ATOM 251 CG1 ILE A 35 6.009 7.439 -5.648 1.00 0.57 C ATOM 252 CG2 ILE A 35 6.683 5.180 -6.511 1.00 0.61 C ATOM 253 CD1 ILE A 35 4.986 7.680 -6.739 1.00 0.97 C ATOM 0 H ILE A 35 8.375 8.494 -5.078 1.00 0.43 H new ATOM 0 HA ILE A 35 7.701 5.953 -4.077 1.00 0.43 H new ATOM 0 HB ILE A 35 7.672 7.024 -6.932 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.513 6.977 -4.794 1.00 0.57 H new ATOM 0 HG13 ILE A 35 6.398 8.399 -5.310 1.00 0.57 H new ATOM 0 HG21 ILE A 35 5.965 5.291 -7.324 1.00 0.61 H new ATOM 0 HG22 ILE A 35 7.526 4.578 -6.851 1.00 0.61 H new ATOM 0 HG23 ILE A 35 6.202 4.686 -5.667 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.188 8.316 -6.356 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.466 8.171 -7.586 1.00 0.97 H new ATOM 0 HD13 ILE A 35 4.567 6.727 -7.062 1.00 0.97 H new ATOM 265 N GLU A 36 10.241 6.061 -6.194 1.00 0.51 N ATOM 266 CA GLU A 36 11.403 5.318 -6.672 1.00 0.62 C ATOM 267 C GLU A 36 12.245 4.836 -5.504 1.00 0.63 C ATOM 268 O GLU A 36 12.675 3.689 -5.477 1.00 0.64 O ATOM 269 CB GLU A 36 12.247 6.189 -7.600 1.00 0.79 C ATOM 270 CG GLU A 36 11.487 6.698 -8.816 1.00 0.87 C ATOM 271 CD GLU A 36 11.055 5.590 -9.753 1.00 1.64 C ATOM 272 OE1 GLU A 36 10.027 4.937 -9.485 1.00 2.22 O ATOM 273 OE2 GLU A 36 11.743 5.373 -10.775 1.00 2.42 O ATOM 0 H GLU A 36 10.182 7.017 -6.544 1.00 0.51 H new ATOM 0 HA GLU A 36 11.049 4.450 -7.229 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.628 7.041 -7.037 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.111 5.616 -7.936 1.00 0.79 H new ATOM 0 HG2 GLU A 36 10.607 7.248 -8.483 1.00 0.87 H new ATOM 0 HG3 GLU A 36 12.115 7.402 -9.361 1.00 0.87 H new ATOM 280 N GLU A 37 12.452 5.712 -4.529 1.00 0.68 N ATOM 281 CA GLU A 37 13.210 5.361 -3.337 1.00 0.77 C ATOM 282 C GLU A 37 12.512 4.232 -2.578 1.00 0.71 C ATOM 283 O GLU A 37 13.155 3.285 -2.121 1.00 0.79 O ATOM 284 CB GLU A 37 13.377 6.591 -2.445 1.00 0.91 C ATOM 285 CG GLU A 37 14.216 6.344 -1.203 1.00 1.41 C ATOM 286 CD GLU A 37 14.381 7.594 -0.370 1.00 1.84 C ATOM 287 OE1 GLU A 37 13.365 8.098 0.151 1.00 2.30 O ATOM 288 OE2 GLU A 37 15.525 8.080 -0.231 1.00 2.53 O ATOM 0 H GLU A 37 12.105 6.671 -4.541 1.00 0.68 H new ATOM 0 HA GLU A 37 14.199 5.011 -3.634 1.00 0.77 H new ATOM 0 HB2 GLU A 37 13.835 7.390 -3.028 1.00 0.91 H new ATOM 0 HB3 GLU A 37 12.391 6.943 -2.141 1.00 0.91 H new ATOM 0 HG2 GLU A 37 13.749 5.566 -0.599 1.00 1.41 H new ATOM 0 HG3 GLU A 37 15.198 5.973 -1.497 1.00 1.41 H new ATOM 295 N ALA A 38 11.191 4.328 -2.463 1.00 0.61 N ATOM 296 CA ALA A 38 10.398 3.269 -1.847 1.00 0.60 C ATOM 297 C ALA A 38 10.509 1.970 -2.648 1.00 0.54 C ATOM 298 O ALA A 38 10.601 0.882 -2.077 1.00 0.59 O ATOM 299 CB ALA A 38 8.942 3.697 -1.723 1.00 0.60 C ATOM 0 H ALA A 38 10.647 5.127 -2.788 1.00 0.61 H new ATOM 0 HA ALA A 38 10.792 3.086 -0.847 1.00 0.60 H new ATOM 0 HB1 ALA A 38 8.365 2.895 -1.262 1.00 0.60 H new ATOM 0 HB2 ALA A 38 8.877 4.593 -1.105 1.00 0.60 H new ATOM 0 HB3 ALA A 38 8.540 3.910 -2.713 1.00 0.60 H new ATOM 305 N ARG A 39 10.513 2.093 -3.972 1.00 0.49 N ATOM 306 CA ARG A 39 10.666 0.940 -4.857 1.00 0.53 C ATOM 307 C ARG A 39 12.028 0.287 -4.662 1.00 0.56 C ATOM 308 O ARG A 39 12.155 -0.933 -4.728 1.00 0.59 O ATOM 309 CB ARG A 39 10.505 1.352 -6.320 1.00 0.60 C ATOM 310 CG ARG A 39 9.102 1.800 -6.688 1.00 0.88 C ATOM 311 CD ARG A 39 9.020 2.211 -8.148 1.00 0.95 C ATOM 312 NE ARG A 39 9.392 1.118 -9.045 1.00 1.37 N ATOM 313 CZ ARG A 39 10.003 1.291 -10.217 1.00 1.97 C ATOM 314 NH1 ARG A 39 10.331 2.508 -10.633 1.00 2.23 N ATOM 315 NH2 ARG A 39 10.294 0.240 -10.973 1.00 2.73 N ATOM 0 H ARG A 39 10.412 2.984 -4.459 1.00 0.49 H new ATOM 0 HA ARG A 39 9.886 0.222 -4.602 1.00 0.53 H new ATOM 0 HB2 ARG A 39 11.202 2.162 -6.537 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.785 0.512 -6.956 1.00 0.60 H new ATOM 0 HG2 ARG A 39 8.397 0.991 -6.495 1.00 0.88 H new ATOM 0 HG3 ARG A 39 8.807 2.637 -6.055 1.00 0.88 H new ATOM 0 HD2 ARG A 39 8.006 2.538 -8.376 1.00 0.95 H new ATOM 0 HD3 ARG A 39 9.677 3.063 -8.322 1.00 0.95 H new ATOM 0 HE ARG A 39 9.170 0.165 -8.756 1.00 1.37 H new ATOM 0 HH11 ARG A 39 10.116 3.320 -10.054 1.00 2.23 H new ATOM 0 HH12 ARG A 39 10.798 2.631 -11.531 1.00 2.23 H new ATOM 0 HH21 ARG A 39 10.050 -0.699 -10.657 1.00 2.73 H new ATOM 0 HH22 ARG A 39 10.762 0.371 -11.870 1.00 2.73 H new ATOM 329 N LYS A 40 13.040 1.110 -4.421 1.00 0.59 N ATOM 330 CA LYS A 40 14.389 0.619 -4.164 1.00 0.67 C ATOM 331 C LYS A 40 14.417 -0.219 -2.892 1.00 0.65 C ATOM 332 O LYS A 40 15.200 -1.162 -2.768 1.00 0.71 O ATOM 333 CB LYS A 40 15.364 1.794 -4.043 1.00 0.78 C ATOM 334 CG LYS A 40 15.433 2.660 -5.294 1.00 0.83 C ATOM 335 CD LYS A 40 15.994 1.890 -6.478 1.00 1.29 C ATOM 336 CE LYS A 40 15.991 2.734 -7.741 1.00 1.82 C ATOM 337 NZ LYS A 40 16.563 2.001 -8.899 1.00 2.52 N ATOM 0 H LYS A 40 12.952 2.126 -4.398 1.00 0.59 H new ATOM 0 HA LYS A 40 14.695 -0.009 -5.001 1.00 0.67 H new ATOM 0 HB2 LYS A 40 15.069 2.415 -3.197 1.00 0.78 H new ATOM 0 HB3 LYS A 40 16.359 1.408 -3.823 1.00 0.78 H new ATOM 0 HG2 LYS A 40 14.436 3.028 -5.538 1.00 0.83 H new ATOM 0 HG3 LYS A 40 16.056 3.533 -5.099 1.00 0.83 H new ATOM 0 HD2 LYS A 40 17.012 1.569 -6.256 1.00 1.29 H new ATOM 0 HD3 LYS A 40 15.404 0.988 -6.640 1.00 1.29 H new ATOM 0 HE2 LYS A 40 14.970 3.038 -7.972 1.00 1.82 H new ATOM 0 HE3 LYS A 40 16.564 3.646 -7.570 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 16.543 2.612 -9.741 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 17.546 1.733 -8.689 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 16.002 1.144 -9.079 1.00 2.52 H new ATOM 351 N MET A 41 13.558 0.135 -1.946 1.00 0.64 N ATOM 352 CA MET A 41 13.425 -0.629 -0.714 1.00 0.68 C ATOM 353 C MET A 41 12.639 -1.907 -0.985 1.00 0.63 C ATOM 354 O MET A 41 12.938 -2.969 -0.438 1.00 0.67 O ATOM 355 CB MET A 41 12.716 0.199 0.364 1.00 0.82 C ATOM 356 CG MET A 41 13.359 1.551 0.620 1.00 0.99 C ATOM 357 SD MET A 41 15.087 1.424 1.117 1.00 1.64 S ATOM 358 CE MET A 41 15.537 3.157 1.198 1.00 2.61 C ATOM 0 H MET A 41 12.943 0.946 -2.008 1.00 0.64 H new ATOM 0 HA MET A 41 14.422 -0.884 -0.353 1.00 0.68 H new ATOM 0 HB2 MET A 41 11.678 0.351 0.068 1.00 0.82 H new ATOM 0 HB3 MET A 41 12.702 -0.369 1.295 1.00 0.82 H new ATOM 0 HG2 MET A 41 13.290 2.157 -0.283 1.00 0.99 H new ATOM 0 HG3 MET A 41 12.800 2.072 1.397 1.00 0.99 H new ATOM 0 HE1 MET A 41 16.582 3.248 1.494 1.00 2.61 H new ATOM 0 HE2 MET A 41 15.396 3.616 0.219 1.00 2.61 H new ATOM 0 HE3 MET A 41 14.907 3.663 1.930 1.00 2.61 H new ATOM 368 N ALA A 42 11.641 -1.789 -1.852 1.00 0.60 N ATOM 369 CA ALA A 42 10.788 -2.911 -2.210 1.00 0.64 C ATOM 370 C ALA A 42 11.561 -3.975 -2.980 1.00 0.61 C ATOM 371 O ALA A 42 11.469 -5.158 -2.671 1.00 0.66 O ATOM 372 CB ALA A 42 9.597 -2.429 -3.022 1.00 0.75 C ATOM 0 H ALA A 42 11.402 -0.917 -2.324 1.00 0.60 H new ATOM 0 HA ALA A 42 10.427 -3.365 -1.287 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.967 -3.279 -3.283 1.00 0.75 H new ATOM 0 HB2 ALA A 42 9.019 -1.717 -2.433 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.950 -1.945 -3.933 1.00 0.75 H new ATOM 378 N GLU A 43 12.329 -3.549 -3.977 1.00 0.62 N ATOM 379 CA GLU A 43 13.121 -4.473 -4.784 1.00 0.75 C ATOM 380 C GLU A 43 14.157 -5.197 -3.929 1.00 0.71 C ATOM 381 O GLU A 43 14.559 -6.322 -4.240 1.00 0.79 O ATOM 382 CB GLU A 43 13.818 -3.730 -5.927 1.00 0.93 C ATOM 383 CG GLU A 43 12.864 -3.156 -6.965 1.00 1.33 C ATOM 384 CD GLU A 43 12.021 -4.219 -7.637 1.00 1.88 C ATOM 385 OE1 GLU A 43 10.798 -4.266 -7.380 1.00 2.39 O ATOM 386 OE2 GLU A 43 12.571 -5.012 -8.430 1.00 2.57 O ATOM 0 H GLU A 43 12.421 -2.570 -4.247 1.00 0.62 H new ATOM 0 HA GLU A 43 12.441 -5.213 -5.205 1.00 0.75 H new ATOM 0 HB2 GLU A 43 14.415 -2.919 -5.509 1.00 0.93 H new ATOM 0 HB3 GLU A 43 14.509 -4.412 -6.422 1.00 0.93 H new ATOM 0 HG2 GLU A 43 12.209 -2.428 -6.487 1.00 1.33 H new ATOM 0 HG3 GLU A 43 13.437 -2.621 -7.722 1.00 1.33 H new ATOM 393 N LYS A 44 14.575 -4.555 -2.846 1.00 0.68 N ATOM 394 CA LYS A 44 15.584 -5.121 -1.963 1.00 0.77 C ATOM 395 C LYS A 44 15.038 -6.328 -1.199 1.00 0.69 C ATOM 396 O LYS A 44 15.542 -7.439 -1.342 1.00 0.80 O ATOM 397 CB LYS A 44 16.085 -4.059 -0.978 1.00 0.92 C ATOM 398 CG LYS A 44 17.219 -4.539 -0.083 1.00 1.42 C ATOM 399 CD LYS A 44 18.473 -4.854 -0.886 1.00 1.99 C ATOM 400 CE LYS A 44 19.583 -5.407 -0.005 1.00 2.49 C ATOM 401 NZ LYS A 44 19.203 -6.698 0.626 1.00 2.98 N ATOM 0 H LYS A 44 14.229 -3.640 -2.558 1.00 0.68 H new ATOM 0 HA LYS A 44 16.417 -5.458 -2.580 1.00 0.77 H new ATOM 0 HB2 LYS A 44 16.421 -3.187 -1.538 1.00 0.92 H new ATOM 0 HB3 LYS A 44 15.253 -3.735 -0.353 1.00 0.92 H new ATOM 0 HG2 LYS A 44 17.445 -3.774 0.660 1.00 1.42 H new ATOM 0 HG3 LYS A 44 16.902 -5.429 0.461 1.00 1.42 H new ATOM 0 HD2 LYS A 44 18.233 -5.577 -1.666 1.00 1.99 H new ATOM 0 HD3 LYS A 44 18.822 -3.950 -1.386 1.00 1.99 H new ATOM 0 HE2 LYS A 44 20.484 -5.547 -0.602 1.00 2.49 H new ATOM 0 HE3 LYS A 44 19.825 -4.681 0.772 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 20.051 -7.155 1.018 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 18.519 -6.523 1.390 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 18.773 -7.320 -0.088 1.00 2.98 H new ATOM 415 N ALA A 45 13.992 -6.112 -0.412 1.00 0.61 N ATOM 416 CA ALA A 45 13.464 -7.165 0.451 1.00 0.64 C ATOM 417 C ALA A 45 12.308 -7.914 -0.213 1.00 0.60 C ATOM 418 O ALA A 45 11.541 -8.614 0.449 1.00 0.71 O ATOM 419 CB ALA A 45 13.037 -6.582 1.788 1.00 0.76 C ATOM 0 H ALA A 45 13.494 -5.224 -0.352 1.00 0.61 H new ATOM 0 HA ALA A 45 14.260 -7.890 0.622 1.00 0.64 H new ATOM 0 HB1 ALA A 45 12.645 -7.377 2.423 1.00 0.76 H new ATOM 0 HB2 ALA A 45 13.896 -6.119 2.274 1.00 0.76 H new ATOM 0 HB3 ALA A 45 12.263 -5.831 1.627 1.00 0.76 H new ATOM 425 N ASN A 46 12.204 -7.747 -1.529 1.00 0.56 N ATOM 426 CA ASN A 46 11.208 -8.432 -2.357 1.00 0.65 C ATOM 427 C ASN A 46 9.780 -8.093 -1.931 1.00 0.62 C ATOM 428 O ASN A 46 8.989 -8.966 -1.570 1.00 0.80 O ATOM 429 CB ASN A 46 11.427 -9.949 -2.351 1.00 0.83 C ATOM 430 CG ASN A 46 10.634 -10.650 -3.443 1.00 1.46 C ATOM 431 OD1 ASN A 46 9.515 -11.113 -3.222 1.00 2.11 O ATOM 432 ND2 ASN A 46 11.202 -10.722 -4.634 1.00 2.22 N ATOM 0 H ASN A 46 12.815 -7.126 -2.059 1.00 0.56 H new ATOM 0 HA ASN A 46 11.342 -8.071 -3.377 1.00 0.65 H new ATOM 0 HB2 ASN A 46 12.488 -10.161 -2.482 1.00 0.83 H new ATOM 0 HB3 ASN A 46 11.139 -10.352 -1.380 1.00 0.83 H new ATOM 0 HD21 ASN A 46 10.711 -11.172 -5.407 1.00 2.22 H new ATOM 0 HD22 ASN A 46 12.131 -10.327 -4.781 1.00 2.22 H new ATOM 439 N LEU A 47 9.462 -6.813 -1.968 1.00 0.48 N ATOM 440 CA LEU A 47 8.092 -6.362 -1.792 1.00 0.48 C ATOM 441 C LEU A 47 7.531 -6.002 -3.154 1.00 0.45 C ATOM 442 O LEU A 47 8.226 -5.387 -3.968 1.00 0.53 O ATOM 443 CB LEU A 47 8.000 -5.140 -0.862 1.00 0.51 C ATOM 444 CG LEU A 47 8.434 -5.348 0.595 1.00 0.58 C ATOM 445 CD1 LEU A 47 7.841 -6.624 1.166 1.00 1.10 C ATOM 446 CD2 LEU A 47 9.947 -5.349 0.718 1.00 1.11 C ATOM 0 H LEU A 47 10.136 -6.063 -2.119 1.00 0.48 H new ATOM 0 HA LEU A 47 7.520 -7.166 -1.330 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.609 -4.342 -1.288 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.968 -4.789 -0.863 1.00 0.51 H new ATOM 0 HG LEU A 47 8.051 -4.511 1.179 1.00 0.58 H new ATOM 0 HD11 LEU A 47 8.166 -6.745 2.199 1.00 1.10 H new ATOM 0 HD12 LEU A 47 6.753 -6.567 1.132 1.00 1.10 H new ATOM 0 HD13 LEU A 47 8.178 -7.477 0.577 1.00 1.10 H new ATOM 0 HD21 LEU A 47 10.227 -5.498 1.761 1.00 1.11 H new ATOM 0 HD22 LEU A 47 10.361 -6.155 0.112 1.00 1.11 H new ATOM 0 HD23 LEU A 47 10.341 -4.394 0.369 1.00 1.11 H new ATOM 458 N GLU A 48 6.299 -6.394 -3.418 1.00 0.43 N ATOM 459 CA GLU A 48 5.684 -6.099 -4.696 1.00 0.47 C ATOM 460 C GLU A 48 5.146 -4.678 -4.691 1.00 0.45 C ATOM 461 O GLU A 48 4.058 -4.411 -4.187 1.00 0.49 O ATOM 462 CB GLU A 48 4.582 -7.116 -4.989 1.00 0.58 C ATOM 463 CG GLU A 48 3.847 -6.889 -6.297 1.00 0.80 C ATOM 464 CD GLU A 48 3.337 -8.186 -6.887 1.00 1.27 C ATOM 465 OE1 GLU A 48 2.480 -8.837 -6.256 1.00 2.13 O ATOM 466 OE2 GLU A 48 3.814 -8.578 -7.972 1.00 1.74 O ATOM 0 H GLU A 48 5.709 -6.914 -2.769 1.00 0.43 H new ATOM 0 HA GLU A 48 6.428 -6.174 -5.489 1.00 0.47 H new ATOM 0 HB2 GLU A 48 5.020 -8.114 -5.002 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.860 -7.095 -4.173 1.00 0.58 H new ATOM 0 HG2 GLU A 48 3.010 -6.211 -6.131 1.00 0.80 H new ATOM 0 HG3 GLU A 48 4.514 -6.403 -7.009 1.00 0.80 H new ATOM 473 N LEU A 49 5.930 -3.775 -5.253 1.00 0.46 N ATOM 474 CA LEU A 49 5.594 -2.364 -5.266 1.00 0.50 C ATOM 475 C LEU A 49 4.841 -2.027 -6.544 1.00 0.45 C ATOM 476 O LEU A 49 5.376 -2.158 -7.649 1.00 0.54 O ATOM 477 CB LEU A 49 6.878 -1.523 -5.162 1.00 0.67 C ATOM 478 CG LEU A 49 6.726 -0.090 -4.623 1.00 0.75 C ATOM 479 CD1 LEU A 49 5.834 0.755 -5.513 1.00 1.49 C ATOM 480 CD2 LEU A 49 6.192 -0.106 -3.201 1.00 0.99 C ATOM 0 H LEU A 49 6.813 -3.999 -5.711 1.00 0.46 H new ATOM 0 HA LEU A 49 4.956 -2.135 -4.413 1.00 0.50 H new ATOM 0 HB2 LEU A 49 7.581 -2.054 -4.521 1.00 0.67 H new ATOM 0 HB3 LEU A 49 7.329 -1.467 -6.153 1.00 0.67 H new ATOM 0 HG LEU A 49 7.717 0.364 -4.622 1.00 0.75 H new ATOM 0 HD11 LEU A 49 5.752 1.759 -5.098 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.265 0.810 -6.513 1.00 1.49 H new ATOM 0 HD13 LEU A 49 4.843 0.304 -5.569 1.00 1.49 H new ATOM 0 HD21 LEU A 49 6.092 0.917 -2.838 1.00 0.99 H new ATOM 0 HD22 LEU A 49 5.218 -0.594 -3.184 1.00 0.99 H new ATOM 0 HD23 LEU A 49 6.883 -0.652 -2.559 1.00 0.99 H new ATOM 492 N ILE A 50 3.600 -1.606 -6.384 1.00 0.39 N ATOM 493 CA ILE A 50 2.785 -1.171 -7.504 1.00 0.43 C ATOM 494 C ILE A 50 2.240 0.226 -7.231 1.00 0.40 C ATOM 495 O ILE A 50 1.721 0.501 -6.147 1.00 0.37 O ATOM 496 CB ILE A 50 1.616 -2.149 -7.775 1.00 0.50 C ATOM 497 CG1 ILE A 50 2.142 -3.513 -8.244 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.647 -1.568 -8.797 1.00 0.62 C ATOM 499 CD1 ILE A 50 2.896 -3.463 -9.558 1.00 1.31 C ATOM 0 H ILE A 50 3.130 -1.556 -5.480 1.00 0.39 H new ATOM 0 HA ILE A 50 3.417 -1.154 -8.392 1.00 0.43 H new ATOM 0 HB ILE A 50 1.077 -2.295 -6.839 1.00 0.50 H new ATOM 0 HG12 ILE A 50 2.798 -3.922 -7.476 1.00 0.60 H new ATOM 0 HG13 ILE A 50 1.302 -4.200 -8.345 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.165 -2.274 -8.970 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.239 -0.631 -8.419 1.00 0.62 H new ATOM 0 HG23 ILE A 50 1.173 -1.383 -9.733 1.00 0.62 H new ATOM 0 HD11 ILE A 50 3.235 -4.465 -9.821 1.00 1.31 H new ATOM 0 HD12 ILE A 50 2.238 -3.085 -10.341 1.00 1.31 H new ATOM 0 HD13 ILE A 50 3.758 -2.803 -9.458 1.00 1.31 H new ATOM 511 N THR A 51 2.385 1.110 -8.204 1.00 0.48 N ATOM 512 CA THR A 51 1.927 2.479 -8.062 1.00 0.52 C ATOM 513 C THR A 51 0.453 2.611 -8.430 1.00 0.56 C ATOM 514 O THR A 51 0.016 2.134 -9.477 1.00 0.66 O ATOM 515 CB THR A 51 2.773 3.429 -8.923 1.00 0.63 C ATOM 516 OG1 THR A 51 3.026 2.834 -10.203 1.00 1.19 O ATOM 517 CG2 THR A 51 4.091 3.740 -8.238 1.00 1.20 C ATOM 0 H THR A 51 2.818 0.901 -9.104 1.00 0.48 H new ATOM 0 HA THR A 51 2.044 2.757 -7.015 1.00 0.52 H new ATOM 0 HB THR A 51 2.219 4.358 -9.057 1.00 0.63 H new ATOM 0 HG1 THR A 51 3.564 3.446 -10.747 1.00 1.19 H new ATOM 0 HG21 THR A 51 4.676 4.414 -8.864 1.00 1.20 H new ATOM 0 HG22 THR A 51 3.898 4.214 -7.276 1.00 1.20 H new ATOM 0 HG23 THR A 51 4.647 2.816 -8.082 1.00 1.20 H new ATOM 525 N VAL A 52 -0.303 3.248 -7.553 1.00 0.68 N ATOM 526 CA VAL A 52 -1.734 3.427 -7.743 1.00 0.78 C ATOM 527 C VAL A 52 -2.057 4.863 -8.151 1.00 0.85 C ATOM 528 O VAL A 52 -1.397 5.802 -7.702 1.00 1.66 O ATOM 529 CB VAL A 52 -2.499 3.090 -6.441 1.00 1.35 C ATOM 530 CG1 VAL A 52 -3.971 3.468 -6.552 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.350 1.615 -6.103 1.00 1.95 C ATOM 0 H VAL A 52 0.056 3.656 -6.690 1.00 0.68 H new ATOM 0 HA VAL A 52 -2.047 2.751 -8.538 1.00 0.78 H new ATOM 0 HB VAL A 52 -2.063 3.678 -5.634 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -4.482 3.219 -5.622 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -4.059 4.538 -6.739 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -4.427 2.917 -7.375 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -2.894 1.395 -5.184 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -2.754 1.013 -6.917 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -1.295 1.378 -5.965 1.00 1.95 H new ATOM 541 N PRO A 53 -3.050 5.044 -9.043 1.00 0.73 N ATOM 542 CA PRO A 53 -3.632 6.356 -9.334 1.00 0.90 C ATOM 543 C PRO A 53 -4.105 7.067 -8.063 1.00 0.88 C ATOM 544 O PRO A 53 -4.315 6.442 -7.027 1.00 1.64 O ATOM 545 CB PRO A 53 -4.824 6.044 -10.252 1.00 1.83 C ATOM 546 CG PRO A 53 -5.019 4.570 -10.168 1.00 2.29 C ATOM 547 CD PRO A 53 -3.670 3.991 -9.860 1.00 1.49 C ATOM 0 HA PRO A 53 -2.905 7.028 -9.790 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -5.718 6.577 -9.928 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -4.621 6.355 -11.277 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -5.739 4.315 -9.391 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -5.409 4.174 -11.106 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -3.747 3.049 -9.317 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -3.098 3.791 -10.766 1.00 1.49 H new ATOM 555 N GLY A 54 -4.286 8.373 -8.174 1.00 1.49 N ATOM 556 CA GLY A 54 -4.535 9.238 -7.023 1.00 2.14 C ATOM 557 C GLY A 54 -5.857 9.000 -6.302 1.00 1.80 C ATOM 558 O GLY A 54 -6.271 9.820 -5.479 1.00 2.08 O ATOM 0 H GLY A 54 -4.265 8.868 -9.065 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -3.722 9.107 -6.309 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -4.503 10.276 -7.356 1.00 2.14 H new ATOM 562 N SER A 55 -6.525 7.896 -6.600 1.00 1.36 N ATOM 563 CA SER A 55 -7.761 7.556 -5.925 1.00 0.97 C ATOM 564 C SER A 55 -7.548 6.362 -4.989 1.00 0.64 C ATOM 565 O SER A 55 -7.185 5.270 -5.432 1.00 0.50 O ATOM 566 CB SER A 55 -8.848 7.248 -6.958 1.00 1.19 C ATOM 567 OG SER A 55 -8.377 6.349 -7.950 1.00 1.75 O ATOM 0 H SER A 55 -6.229 7.222 -7.306 1.00 1.36 H new ATOM 0 HA SER A 55 -8.082 8.405 -5.322 1.00 0.97 H new ATOM 0 HB2 SER A 55 -9.716 6.819 -6.458 1.00 1.19 H new ATOM 0 HB3 SER A 55 -9.177 8.174 -7.430 1.00 1.19 H new ATOM 0 HG SER A 55 -7.843 5.645 -7.526 1.00 1.75 H new ATOM 573 N PRO A 56 -7.765 6.563 -3.673 1.00 0.66 N ATOM 574 CA PRO A 56 -7.632 5.498 -2.667 1.00 0.58 C ATOM 575 C PRO A 56 -8.550 4.313 -2.951 1.00 0.53 C ATOM 576 O PRO A 56 -8.270 3.184 -2.547 1.00 0.62 O ATOM 577 CB PRO A 56 -8.037 6.183 -1.359 1.00 0.70 C ATOM 578 CG PRO A 56 -7.819 7.635 -1.604 1.00 1.09 C ATOM 579 CD PRO A 56 -8.125 7.854 -3.058 1.00 0.87 C ATOM 0 HA PRO A 56 -6.624 5.082 -2.650 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -9.078 5.976 -1.110 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -7.433 5.828 -0.524 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -8.469 8.240 -0.972 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -6.793 7.921 -1.373 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -9.176 8.097 -3.217 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -7.541 8.675 -3.474 1.00 0.87 H new ATOM 587 N GLU A 57 -9.649 4.594 -3.642 1.00 0.62 N ATOM 588 CA GLU A 57 -10.577 3.563 -4.099 1.00 0.80 C ATOM 589 C GLU A 57 -9.835 2.492 -4.899 1.00 0.67 C ATOM 590 O GLU A 57 -9.997 1.294 -4.660 1.00 0.67 O ATOM 591 CB GLU A 57 -11.661 4.202 -4.972 1.00 1.14 C ATOM 592 CG GLU A 57 -12.690 3.222 -5.516 1.00 1.80 C ATOM 593 CD GLU A 57 -13.666 2.736 -4.463 1.00 1.95 C ATOM 594 OE1 GLU A 57 -13.391 1.706 -3.818 1.00 2.06 O ATOM 595 OE2 GLU A 57 -14.728 3.370 -4.303 1.00 2.70 O ATOM 0 H GLU A 57 -9.923 5.542 -3.902 1.00 0.62 H new ATOM 0 HA GLU A 57 -11.037 3.092 -3.230 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -12.177 4.965 -4.389 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -11.183 4.710 -5.810 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -13.245 3.699 -6.324 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -12.173 2.364 -5.947 1.00 1.80 H new ATOM 602 N GLU A 58 -8.999 2.940 -5.829 1.00 0.61 N ATOM 603 CA GLU A 58 -8.269 2.032 -6.699 1.00 0.56 C ATOM 604 C GLU A 58 -7.242 1.241 -5.901 1.00 0.50 C ATOM 605 O GLU A 58 -7.021 0.062 -6.158 1.00 0.54 O ATOM 606 CB GLU A 58 -7.569 2.804 -7.820 1.00 0.62 C ATOM 607 CG GLU A 58 -7.044 1.912 -8.935 1.00 1.18 C ATOM 608 CD GLU A 58 -8.145 1.400 -9.841 1.00 1.57 C ATOM 609 OE1 GLU A 58 -8.927 0.526 -9.412 1.00 2.30 O ATOM 610 OE2 GLU A 58 -8.227 1.864 -10.998 1.00 2.01 O ATOM 0 H GLU A 58 -8.811 3.928 -5.998 1.00 0.61 H new ATOM 0 HA GLU A 58 -8.985 1.340 -7.142 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -8.266 3.528 -8.242 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -6.739 3.370 -7.397 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -6.319 2.469 -9.529 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -6.515 1.065 -8.498 1.00 1.18 H new ATOM 617 N ALA A 59 -6.632 1.896 -4.917 1.00 0.52 N ATOM 618 CA ALA A 59 -5.603 1.267 -4.095 1.00 0.59 C ATOM 619 C ALA A 59 -6.141 0.027 -3.392 1.00 0.50 C ATOM 620 O ALA A 59 -5.513 -1.032 -3.406 1.00 0.50 O ATOM 621 CB ALA A 59 -5.061 2.259 -3.075 1.00 0.78 C ATOM 0 H ALA A 59 -6.833 2.865 -4.669 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.791 0.956 -4.752 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -4.294 1.776 -2.469 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -4.628 3.114 -3.594 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -5.872 2.598 -2.431 1.00 0.78 H new ATOM 627 N ILE A 60 -7.316 0.160 -2.794 1.00 0.51 N ATOM 628 CA ILE A 60 -7.921 -0.939 -2.059 1.00 0.52 C ATOM 629 C ILE A 60 -8.427 -2.020 -3.009 1.00 0.50 C ATOM 630 O ILE A 60 -8.278 -3.213 -2.747 1.00 0.52 O ATOM 631 CB ILE A 60 -9.087 -0.450 -1.174 1.00 0.63 C ATOM 632 CG1 ILE A 60 -8.604 0.623 -0.191 1.00 0.79 C ATOM 633 CG2 ILE A 60 -9.707 -1.620 -0.424 1.00 0.74 C ATOM 634 CD1 ILE A 60 -7.560 0.133 0.791 1.00 1.03 C ATOM 0 H ILE A 60 -7.868 1.018 -2.804 1.00 0.51 H new ATOM 0 HA ILE A 60 -7.146 -1.359 -1.418 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.848 -0.007 -1.817 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -8.193 1.460 -0.756 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -9.461 1.004 0.365 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -10.528 -1.261 0.196 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -10.085 -2.351 -1.139 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -8.952 -2.088 0.208 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -7.270 0.950 1.452 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -7.973 -0.684 1.383 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -6.685 -0.221 0.246 1.00 1.03 H new ATOM 646 N ARG A 61 -9.009 -1.601 -4.124 1.00 0.51 N ATOM 647 CA ARG A 61 -9.568 -2.543 -5.085 1.00 0.57 C ATOM 648 C ARG A 61 -8.473 -3.270 -5.856 1.00 0.55 C ATOM 649 O ARG A 61 -8.668 -4.396 -6.314 1.00 0.67 O ATOM 650 CB ARG A 61 -10.520 -1.830 -6.038 1.00 0.63 C ATOM 651 CG ARG A 61 -11.773 -1.324 -5.347 1.00 0.68 C ATOM 652 CD ARG A 61 -12.709 -0.632 -6.317 1.00 0.85 C ATOM 653 NE ARG A 61 -13.925 -0.178 -5.652 1.00 1.75 N ATOM 654 CZ ARG A 61 -15.154 -0.557 -5.995 1.00 2.33 C ATOM 655 NH1 ARG A 61 -15.340 -1.405 -7.005 1.00 2.28 N ATOM 656 NH2 ARG A 61 -16.197 -0.093 -5.320 1.00 3.35 N ATOM 0 H ARG A 61 -9.106 -0.620 -4.385 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.130 -3.293 -4.529 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -10.002 -0.991 -6.502 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -10.803 -2.512 -6.840 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.291 -2.159 -4.875 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.496 -0.631 -4.552 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -12.201 0.219 -6.770 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -12.968 -1.316 -7.125 1.00 0.85 H new ATOM 0 HE ARG A 61 -13.827 0.473 -4.873 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -14.538 -1.768 -7.521 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -16.284 -1.692 -7.263 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -16.055 0.551 -4.542 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -17.141 -0.380 -5.579 1.00 3.35 H new ATOM 670 N LEU A 62 -7.320 -2.629 -5.995 1.00 0.47 N ATOM 671 CA LEU A 62 -6.161 -3.279 -6.589 1.00 0.50 C ATOM 672 C LEU A 62 -5.684 -4.382 -5.650 1.00 0.43 C ATOM 673 O LEU A 62 -5.334 -5.481 -6.080 1.00 0.45 O ATOM 674 CB LEU A 62 -5.040 -2.258 -6.829 1.00 0.59 C ATOM 675 CG LEU A 62 -4.284 -2.387 -8.161 1.00 0.69 C ATOM 676 CD1 LEU A 62 -3.643 -3.759 -8.301 1.00 1.22 C ATOM 677 CD2 LEU A 62 -5.215 -2.111 -9.333 1.00 1.03 C ATOM 0 H LEU A 62 -7.163 -1.664 -5.706 1.00 0.47 H new ATOM 0 HA LEU A 62 -6.435 -3.710 -7.552 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -5.469 -1.258 -6.773 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -4.319 -2.342 -6.016 1.00 0.59 H new ATOM 0 HG LEU A 62 -3.487 -1.643 -8.166 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -3.116 -3.819 -9.253 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -2.937 -3.916 -7.485 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -4.416 -4.527 -8.265 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -4.662 -2.207 -10.267 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -6.036 -2.828 -9.322 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -5.615 -1.100 -9.250 1.00 1.03 H new ATOM 689 N ALA A 63 -5.698 -4.077 -4.356 1.00 0.41 N ATOM 690 CA ALA A 63 -5.356 -5.048 -3.327 1.00 0.42 C ATOM 691 C ALA A 63 -6.342 -6.208 -3.343 1.00 0.46 C ATOM 692 O ALA A 63 -5.947 -7.371 -3.291 1.00 0.49 O ATOM 693 CB ALA A 63 -5.341 -4.386 -1.959 1.00 0.49 C ATOM 0 H ALA A 63 -5.945 -3.156 -3.995 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.359 -5.437 -3.536 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -5.084 -5.125 -1.200 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.602 -3.585 -1.951 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -6.327 -3.973 -1.744 1.00 0.49 H new ATOM 699 N GLN A 64 -7.625 -5.871 -3.425 1.00 0.52 N ATOM 700 CA GLN A 64 -8.690 -6.865 -3.511 1.00 0.64 C ATOM 701 C GLN A 64 -8.459 -7.797 -4.697 1.00 0.62 C ATOM 702 O GLN A 64 -8.607 -9.017 -4.582 1.00 0.69 O ATOM 703 CB GLN A 64 -10.047 -6.162 -3.647 1.00 0.77 C ATOM 704 CG GLN A 64 -11.238 -7.103 -3.782 1.00 1.11 C ATOM 705 CD GLN A 64 -11.500 -7.926 -2.532 1.00 1.39 C ATOM 706 OE1 GLN A 64 -10.585 -8.263 -1.784 1.00 1.95 O ATOM 707 NE2 GLN A 64 -12.759 -8.257 -2.297 1.00 2.12 N ATOM 0 H GLN A 64 -7.955 -4.906 -3.434 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.686 -7.462 -2.599 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -10.201 -5.525 -2.776 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -10.017 -5.508 -4.518 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -12.128 -6.519 -4.017 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -11.067 -7.776 -4.622 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -13.493 -7.960 -2.940 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -12.996 -8.809 -1.473 1.00 2.12 H new ATOM 716 N GLU A 65 -8.079 -7.209 -5.828 1.00 0.58 N ATOM 717 CA GLU A 65 -7.799 -7.964 -7.039 1.00 0.63 C ATOM 718 C GLU A 65 -6.638 -8.929 -6.814 1.00 0.55 C ATOM 719 O GLU A 65 -6.771 -10.135 -7.013 1.00 0.62 O ATOM 720 CB GLU A 65 -7.465 -7.009 -8.190 1.00 0.69 C ATOM 721 CG GLU A 65 -7.330 -7.697 -9.539 1.00 1.24 C ATOM 722 CD GLU A 65 -8.662 -8.148 -10.103 1.00 1.50 C ATOM 723 OE1 GLU A 65 -9.318 -9.014 -9.489 1.00 2.21 O ATOM 724 OE2 GLU A 65 -9.060 -7.639 -11.173 1.00 1.95 O ATOM 0 H GLU A 65 -7.958 -6.201 -5.928 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.687 -8.540 -7.298 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -8.244 -6.249 -8.257 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -6.533 -6.492 -7.962 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -6.854 -7.015 -10.244 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -6.672 -8.560 -9.437 1.00 1.24 H new ATOM 731 N ILE A 66 -5.505 -8.393 -6.378 1.00 0.46 N ATOM 732 CA ILE A 66 -4.311 -9.204 -6.166 1.00 0.46 C ATOM 733 C ILE A 66 -4.556 -10.288 -5.117 1.00 0.43 C ATOM 734 O ILE A 66 -4.064 -11.407 -5.244 1.00 0.48 O ATOM 735 CB ILE A 66 -3.108 -8.330 -5.743 1.00 0.54 C ATOM 736 CG1 ILE A 66 -2.780 -7.317 -6.846 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.892 -9.196 -5.436 1.00 0.64 C ATOM 738 CD1 ILE A 66 -1.651 -6.373 -6.491 1.00 0.53 C ATOM 0 H ILE A 66 -5.387 -7.403 -6.164 1.00 0.46 H new ATOM 0 HA ILE A 66 -4.077 -9.684 -7.116 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.376 -7.788 -4.836 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.518 -7.857 -7.756 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -3.673 -6.733 -7.068 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -1.058 -8.560 -5.141 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -2.130 -9.883 -4.624 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.617 -9.766 -6.324 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -1.477 -5.686 -7.319 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -1.918 -5.806 -5.599 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -0.744 -6.946 -6.298 1.00 0.53 H new ATOM 750 N ALA A 67 -5.348 -9.961 -4.101 1.00 0.44 N ATOM 751 CA ALA A 67 -5.634 -10.893 -3.015 1.00 0.51 C ATOM 752 C ALA A 67 -6.318 -12.161 -3.520 1.00 0.55 C ATOM 753 O ALA A 67 -6.069 -13.251 -3.009 1.00 0.63 O ATOM 754 CB ALA A 67 -6.485 -10.218 -1.951 1.00 0.60 C ATOM 0 H ALA A 67 -5.805 -9.054 -4.007 1.00 0.44 H new ATOM 0 HA ALA A 67 -4.682 -11.189 -2.575 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -6.691 -10.925 -1.147 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.950 -9.357 -1.549 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -7.425 -9.887 -2.393 1.00 0.60 H new ATOM 760 N GLU A 68 -7.178 -12.021 -4.520 1.00 0.60 N ATOM 761 CA GLU A 68 -7.889 -13.172 -5.060 1.00 0.73 C ATOM 762 C GLU A 68 -7.128 -13.814 -6.220 1.00 0.73 C ATOM 763 O GLU A 68 -7.329 -14.989 -6.524 1.00 0.87 O ATOM 764 CB GLU A 68 -9.303 -12.781 -5.495 1.00 0.83 C ATOM 765 CG GLU A 68 -9.358 -11.633 -6.483 1.00 1.10 C ATOM 766 CD GLU A 68 -10.774 -11.263 -6.852 1.00 1.71 C ATOM 767 OE1 GLU A 68 -11.311 -11.843 -7.819 1.00 2.46 O ATOM 768 OE2 GLU A 68 -11.368 -10.398 -6.175 1.00 2.22 O ATOM 0 H GLU A 68 -7.399 -11.132 -4.970 1.00 0.60 H new ATOM 0 HA GLU A 68 -7.962 -13.913 -4.264 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.787 -13.651 -5.939 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -9.881 -12.512 -4.611 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -8.857 -10.764 -6.056 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -8.809 -11.906 -7.384 1.00 1.10 H new ATOM 775 N LYS A 69 -6.255 -13.047 -6.863 1.00 0.65 N ATOM 776 CA LYS A 69 -5.488 -13.554 -8.000 1.00 0.71 C ATOM 777 C LYS A 69 -4.252 -14.321 -7.539 1.00 0.73 C ATOM 778 O LYS A 69 -3.782 -15.229 -8.227 1.00 0.92 O ATOM 779 CB LYS A 69 -5.066 -12.408 -8.929 1.00 0.73 C ATOM 780 CG LYS A 69 -6.223 -11.653 -9.580 1.00 0.77 C ATOM 781 CD LYS A 69 -6.704 -12.301 -10.875 1.00 1.29 C ATOM 782 CE LYS A 69 -7.425 -13.620 -10.642 1.00 1.73 C ATOM 783 NZ LYS A 69 -8.032 -14.148 -11.892 1.00 2.41 N ATOM 0 H LYS A 69 -6.060 -12.076 -6.620 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.136 -14.237 -8.548 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -4.463 -11.700 -8.360 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -4.427 -12.812 -9.714 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.054 -11.597 -8.877 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -5.911 -10.629 -9.786 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -7.372 -11.614 -11.393 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -5.850 -12.470 -11.530 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -6.723 -14.352 -10.242 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -8.203 -13.481 -9.891 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -8.514 -15.048 -11.691 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -8.721 -13.461 -12.261 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -7.287 -14.305 -12.600 1.00 2.41 H new ATOM 797 N ALA A 70 -3.722 -13.949 -6.384 1.00 0.67 N ATOM 798 CA ALA A 70 -2.528 -14.588 -5.851 1.00 0.71 C ATOM 799 C ALA A 70 -2.865 -15.902 -5.163 1.00 0.69 C ATOM 800 O ALA A 70 -3.664 -15.932 -4.229 1.00 0.68 O ATOM 801 CB ALA A 70 -1.823 -13.667 -4.876 1.00 0.78 C ATOM 0 H ALA A 70 -4.101 -13.206 -5.796 1.00 0.67 H new ATOM 0 HA ALA A 70 -1.865 -14.798 -6.690 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -0.933 -14.161 -4.488 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -1.534 -12.748 -5.387 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -2.494 -13.428 -4.051 1.00 0.78 H new ATOM 807 N PRO A 71 -2.259 -17.006 -5.615 1.00 0.84 N ATOM 808 CA PRO A 71 -2.449 -18.305 -4.994 1.00 0.90 C ATOM 809 C PRO A 71 -1.559 -18.489 -3.766 1.00 0.81 C ATOM 810 O PRO A 71 -0.336 -18.614 -3.877 1.00 0.93 O ATOM 811 CB PRO A 71 -2.056 -19.279 -6.104 1.00 1.19 C ATOM 812 CG PRO A 71 -1.051 -18.544 -6.929 1.00 1.34 C ATOM 813 CD PRO A 71 -1.347 -17.072 -6.774 1.00 1.08 C ATOM 0 HA PRO A 71 -3.465 -18.448 -4.627 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -1.634 -20.196 -5.693 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -2.922 -19.567 -6.701 1.00 1.19 H new ATOM 0 HG2 PRO A 71 -0.038 -18.771 -6.596 1.00 1.34 H new ATOM 0 HG3 PRO A 71 -1.117 -18.843 -7.975 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -0.437 -16.499 -6.597 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -1.812 -16.663 -7.671 1.00 1.08 H new ATOM 821 N GLY A 72 -2.172 -18.480 -2.597 1.00 0.75 N ATOM 822 CA GLY A 72 -1.441 -18.733 -1.374 1.00 0.77 C ATOM 823 C GLY A 72 -1.616 -17.623 -0.363 1.00 0.63 C ATOM 824 O GLY A 72 -2.611 -16.901 -0.404 1.00 0.62 O ATOM 0 H GLY A 72 -3.168 -18.301 -2.471 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -1.778 -19.674 -0.940 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -0.382 -18.849 -1.603 1.00 0.77 H new ATOM 828 N PRO A 73 -0.661 -17.465 0.567 1.00 0.61 N ATOM 829 CA PRO A 73 -0.705 -16.407 1.578 1.00 0.58 C ATOM 830 C PRO A 73 -0.488 -15.031 0.962 1.00 0.48 C ATOM 831 O PRO A 73 0.550 -14.776 0.347 1.00 0.54 O ATOM 832 CB PRO A 73 0.456 -16.750 2.525 1.00 0.71 C ATOM 833 CG PRO A 73 0.879 -18.134 2.160 1.00 0.90 C ATOM 834 CD PRO A 73 0.530 -18.309 0.712 1.00 0.73 C ATOM 0 HA PRO A 73 -1.673 -16.363 2.077 1.00 0.58 H new ATOM 0 HB2 PRO A 73 1.279 -16.045 2.407 1.00 0.71 H new ATOM 0 HB3 PRO A 73 0.140 -16.699 3.567 1.00 0.71 H new ATOM 0 HG2 PRO A 73 1.948 -18.270 2.322 1.00 0.90 H new ATOM 0 HG3 PRO A 73 0.367 -18.873 2.776 1.00 0.90 H new ATOM 0 HD2 PRO A 73 1.339 -17.985 0.058 1.00 0.73 H new ATOM 0 HD3 PRO A 73 0.321 -19.351 0.468 1.00 0.73 H new ATOM 842 N VAL A 74 -1.468 -14.152 1.110 1.00 0.48 N ATOM 843 CA VAL A 74 -1.365 -12.809 0.566 1.00 0.46 C ATOM 844 C VAL A 74 -1.435 -11.777 1.683 1.00 0.44 C ATOM 845 O VAL A 74 -2.243 -11.899 2.606 1.00 0.56 O ATOM 846 CB VAL A 74 -2.474 -12.510 -0.465 1.00 0.62 C ATOM 847 CG1 VAL A 74 -2.132 -11.265 -1.270 1.00 1.50 C ATOM 848 CG2 VAL A 74 -2.702 -13.701 -1.385 1.00 1.31 C ATOM 0 H VAL A 74 -2.341 -14.345 1.601 1.00 0.48 H new ATOM 0 HA VAL A 74 -0.402 -12.748 0.059 1.00 0.46 H new ATOM 0 HB VAL A 74 -3.401 -12.326 0.079 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -2.925 -11.069 -1.992 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -2.035 -10.412 -0.598 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -1.191 -11.420 -1.798 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -3.488 -13.462 -2.101 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -1.780 -13.929 -1.921 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -3.001 -14.566 -0.793 1.00 1.31 H new ATOM 858 N LYS A 75 -0.578 -10.775 1.600 1.00 0.44 N ATOM 859 CA LYS A 75 -0.529 -9.714 2.589 1.00 0.52 C ATOM 860 C LYS A 75 -0.262 -8.391 1.881 1.00 0.42 C ATOM 861 O LYS A 75 0.779 -8.224 1.248 1.00 0.45 O ATOM 862 CB LYS A 75 0.574 -10.013 3.605 1.00 0.76 C ATOM 863 CG LYS A 75 0.574 -9.097 4.813 1.00 1.20 C ATOM 864 CD LYS A 75 1.741 -9.411 5.734 1.00 1.52 C ATOM 865 CE LYS A 75 1.709 -8.567 6.998 1.00 1.90 C ATOM 866 NZ LYS A 75 0.529 -8.881 7.848 1.00 2.58 N ATOM 0 H LYS A 75 0.102 -10.674 0.847 1.00 0.44 H new ATOM 0 HA LYS A 75 -1.479 -9.650 3.119 1.00 0.52 H new ATOM 0 HB2 LYS A 75 0.469 -11.043 3.945 1.00 0.76 H new ATOM 0 HB3 LYS A 75 1.541 -9.938 3.107 1.00 0.76 H new ATOM 0 HG2 LYS A 75 0.633 -8.059 4.487 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -0.364 -9.207 5.358 1.00 1.20 H new ATOM 0 HD2 LYS A 75 1.718 -10.467 6.002 1.00 1.52 H new ATOM 0 HD3 LYS A 75 2.678 -9.237 5.205 1.00 1.52 H new ATOM 0 HE2 LYS A 75 2.622 -8.735 7.569 1.00 1.90 H new ATOM 0 HE3 LYS A 75 1.691 -7.511 6.728 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 0.647 -8.441 8.783 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 -0.332 -8.511 7.397 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 0.446 -9.912 7.959 1.00 2.58 H new ATOM 880 N VAL A 76 -1.204 -7.460 1.965 1.00 0.42 N ATOM 881 CA VAL A 76 -1.095 -6.215 1.217 1.00 0.39 C ATOM 882 C VAL A 76 -1.055 -5.002 2.144 1.00 0.38 C ATOM 883 O VAL A 76 -1.755 -4.947 3.157 1.00 0.50 O ATOM 884 CB VAL A 76 -2.268 -6.046 0.225 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.027 -4.865 -0.702 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.498 -7.322 -0.576 1.00 1.16 C ATOM 0 H VAL A 76 -2.044 -7.542 2.538 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.159 -6.272 0.662 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.169 -5.846 0.805 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -2.866 -4.766 -1.391 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -1.932 -3.953 -0.112 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.110 -5.028 -1.268 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.329 -7.174 -1.266 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.597 -7.565 -1.140 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.732 -8.141 0.104 1.00 1.16 H new ATOM 896 N LEU A 77 -0.215 -4.043 1.791 1.00 0.35 N ATOM 897 CA LEU A 77 -0.140 -2.773 2.490 1.00 0.41 C ATOM 898 C LEU A 77 -0.373 -1.637 1.502 1.00 0.39 C ATOM 899 O LEU A 77 0.309 -1.552 0.480 1.00 0.43 O ATOM 900 CB LEU A 77 1.231 -2.616 3.156 1.00 0.54 C ATOM 901 CG LEU A 77 1.449 -1.310 3.925 1.00 0.62 C ATOM 902 CD1 LEU A 77 0.516 -1.227 5.122 1.00 0.90 C ATOM 903 CD2 LEU A 77 2.897 -1.192 4.371 1.00 1.35 C ATOM 0 H LEU A 77 0.435 -4.125 1.009 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.908 -2.743 3.263 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.379 -3.450 3.843 1.00 0.54 H new ATOM 0 HB3 LEU A 77 1.999 -2.696 2.387 1.00 0.54 H new ATOM 0 HG LEU A 77 1.222 -0.479 3.257 1.00 0.62 H new ATOM 0 HD11 LEU A 77 0.688 -0.291 5.653 1.00 0.90 H new ATOM 0 HD12 LEU A 77 -0.518 -1.265 4.780 1.00 0.90 H new ATOM 0 HD13 LEU A 77 0.708 -2.065 5.792 1.00 0.90 H new ATOM 0 HD21 LEU A 77 3.035 -0.258 4.916 1.00 1.35 H new ATOM 0 HD22 LEU A 77 3.147 -2.031 5.020 1.00 1.35 H new ATOM 0 HD23 LEU A 77 3.549 -1.202 3.497 1.00 1.35 H new ATOM 915 N VAL A 78 -1.342 -0.782 1.787 1.00 0.37 N ATOM 916 CA VAL A 78 -1.622 0.346 0.915 1.00 0.36 C ATOM 917 C VAL A 78 -1.128 1.643 1.544 1.00 0.36 C ATOM 918 O VAL A 78 -1.412 1.938 2.708 1.00 0.38 O ATOM 919 CB VAL A 78 -3.125 0.464 0.565 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.577 -0.732 -0.260 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.977 0.594 1.818 1.00 1.01 C ATOM 0 H VAL A 78 -1.943 -0.847 2.608 1.00 0.37 H new ATOM 0 HA VAL A 78 -1.084 0.167 -0.016 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.258 1.370 -0.027 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.636 -0.631 -0.496 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -3.001 -0.775 -1.185 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -3.418 -1.648 0.309 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -5.027 0.675 1.537 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -3.836 -0.285 2.447 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.679 1.486 2.370 1.00 1.01 H new ATOM 931 N LEU A 79 -0.367 2.400 0.775 1.00 0.38 N ATOM 932 CA LEU A 79 0.210 3.644 1.255 1.00 0.40 C ATOM 933 C LEU A 79 -0.470 4.834 0.590 1.00 0.37 C ATOM 934 O LEU A 79 -0.165 5.175 -0.555 1.00 0.41 O ATOM 935 CB LEU A 79 1.715 3.682 0.966 1.00 0.46 C ATOM 936 CG LEU A 79 2.530 2.517 1.535 1.00 0.58 C ATOM 937 CD1 LEU A 79 4.003 2.677 1.191 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.343 2.411 3.040 1.00 1.37 C ATOM 0 H LEU A 79 -0.132 2.174 -0.191 1.00 0.38 H new ATOM 0 HA LEU A 79 0.054 3.701 2.332 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.858 3.708 -0.114 1.00 0.46 H new ATOM 0 HB3 LEU A 79 2.119 4.613 1.364 1.00 0.46 H new ATOM 0 HG LEU A 79 2.167 1.595 1.081 1.00 0.58 H new ATOM 0 HD11 LEU A 79 4.566 1.840 1.604 1.00 1.23 H new ATOM 0 HD12 LEU A 79 4.124 2.697 0.108 1.00 1.23 H new ATOM 0 HD13 LEU A 79 4.376 3.609 1.615 1.00 1.23 H new ATOM 0 HD21 LEU A 79 2.931 1.577 3.422 1.00 1.37 H new ATOM 0 HD22 LEU A 79 2.674 3.335 3.514 1.00 1.37 H new ATOM 0 HD23 LEU A 79 1.289 2.245 3.265 1.00 1.37 H new ATOM 950 N ILE A 80 -1.398 5.454 1.302 1.00 0.41 N ATOM 951 CA ILE A 80 -2.081 6.631 0.791 1.00 0.43 C ATOM 952 C ILE A 80 -1.378 7.892 1.284 1.00 0.41 C ATOM 953 O ILE A 80 -1.016 7.998 2.458 1.00 0.42 O ATOM 954 CB ILE A 80 -3.579 6.655 1.189 1.00 0.54 C ATOM 955 CG1 ILE A 80 -3.744 6.637 2.714 1.00 1.23 C ATOM 956 CG2 ILE A 80 -4.303 5.473 0.558 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.183 6.742 3.174 1.00 1.40 C ATOM 0 H ILE A 80 -1.695 5.162 2.233 1.00 0.41 H new ATOM 0 HA ILE A 80 -2.039 6.593 -0.298 1.00 0.43 H new ATOM 0 HB ILE A 80 -4.020 7.580 0.817 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -3.313 5.716 3.106 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.174 7.462 3.142 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -5.355 5.497 0.842 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -4.219 5.532 -0.527 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -3.854 4.543 0.907 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -5.219 6.723 4.263 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.613 7.676 2.813 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -5.754 5.903 2.777 1.00 1.40 H new ATOM 969 N THR A 81 -1.143 8.829 0.383 1.00 0.60 N ATOM 970 CA THR A 81 -0.403 10.029 0.731 1.00 0.69 C ATOM 971 C THR A 81 -1.334 11.157 1.173 1.00 0.79 C ATOM 972 O THR A 81 -2.498 11.218 0.766 1.00 1.20 O ATOM 973 CB THR A 81 0.471 10.512 -0.446 1.00 1.13 C ATOM 974 OG1 THR A 81 1.466 11.430 0.024 1.00 2.07 O ATOM 975 CG2 THR A 81 -0.373 11.183 -1.526 1.00 1.92 C ATOM 0 H THR A 81 -1.451 8.783 -0.588 1.00 0.60 H new ATOM 0 HA THR A 81 0.245 9.765 1.567 1.00 0.69 H new ATOM 0 HB THR A 81 0.955 9.638 -0.882 1.00 1.13 H new ATOM 0 HG1 THR A 81 1.756 11.166 0.922 1.00 2.07 H new ATOM 0 HG21 THR A 81 0.273 11.512 -2.340 1.00 1.92 H new ATOM 0 HG22 THR A 81 -1.106 10.473 -1.908 1.00 1.92 H new ATOM 0 HG23 THR A 81 -0.889 12.044 -1.102 1.00 1.92 H new ATOM 983 N GLY A 82 -0.806 12.035 2.020 1.00 0.73 N ATOM 984 CA GLY A 82 -1.550 13.196 2.463 1.00 1.09 C ATOM 985 C GLY A 82 -2.787 12.833 3.252 1.00 0.92 C ATOM 986 O GLY A 82 -2.806 11.837 3.979 1.00 1.03 O ATOM 0 H GLY A 82 0.134 11.960 2.410 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -0.904 13.823 3.077 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -1.839 13.789 1.596 1.00 1.09 H new ATOM 990 N SER A 83 -3.818 13.642 3.114 1.00 1.03 N ATOM 991 CA SER A 83 -5.077 13.388 3.779 1.00 1.19 C ATOM 992 C SER A 83 -6.122 12.991 2.753 1.00 1.10 C ATOM 993 O SER A 83 -6.120 13.493 1.625 1.00 1.22 O ATOM 994 CB SER A 83 -5.531 14.630 4.554 1.00 1.61 C ATOM 995 OG SER A 83 -6.719 14.376 5.289 1.00 2.22 O ATOM 0 H SER A 83 -3.806 14.487 2.542 1.00 1.03 H new ATOM 0 HA SER A 83 -4.948 12.572 4.490 1.00 1.19 H new ATOM 0 HB2 SER A 83 -4.740 14.945 5.235 1.00 1.61 H new ATOM 0 HB3 SER A 83 -5.700 15.453 3.859 1.00 1.61 H new ATOM 0 HG SER A 83 -6.983 15.186 5.774 1.00 2.22 H new ATOM 1001 N ALA A 84 -6.989 12.070 3.130 1.00 1.02 N ATOM 1002 CA ALA A 84 -8.073 11.654 2.264 1.00 0.95 C ATOM 1003 C ALA A 84 -9.158 12.719 2.260 1.00 0.97 C ATOM 1004 O ALA A 84 -9.640 13.127 3.320 1.00 1.13 O ATOM 1005 CB ALA A 84 -8.629 10.316 2.725 1.00 0.97 C ATOM 0 H ALA A 84 -6.962 11.596 4.033 1.00 1.02 H new ATOM 0 HA ALA A 84 -7.699 11.532 1.248 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -9.443 10.014 2.066 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -7.840 9.564 2.695 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -9.003 10.409 3.745 1.00 0.97 H new ATOM 1011 N ASP A 85 -9.510 13.187 1.065 1.00 0.89 N ATOM 1012 CA ASP A 85 -10.545 14.209 0.899 1.00 0.93 C ATOM 1013 C ASP A 85 -11.849 13.746 1.541 1.00 0.81 C ATOM 1014 O ASP A 85 -12.051 12.552 1.703 1.00 0.71 O ATOM 1015 CB ASP A 85 -10.765 14.506 -0.589 1.00 1.02 C ATOM 1016 CG ASP A 85 -9.544 15.110 -1.254 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -8.722 14.347 -1.807 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -9.402 16.350 -1.239 1.00 1.92 O ATOM 0 H ASP A 85 -9.091 12.873 0.190 1.00 0.89 H new ATOM 0 HA ASP A 85 -10.215 15.123 1.393 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -11.034 13.583 -1.103 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -11.608 15.189 -0.698 1.00 1.02 H new ATOM 1023 N PRO A 86 -12.742 14.682 1.919 1.00 0.92 N ATOM 1024 CA PRO A 86 -13.997 14.375 2.625 1.00 0.95 C ATOM 1025 C PRO A 86 -14.677 13.081 2.164 1.00 0.85 C ATOM 1026 O PRO A 86 -15.001 12.217 2.983 1.00 0.88 O ATOM 1027 CB PRO A 86 -14.864 15.580 2.284 1.00 1.11 C ATOM 1028 CG PRO A 86 -13.902 16.713 2.186 1.00 1.30 C ATOM 1029 CD PRO A 86 -12.597 16.134 1.696 1.00 1.11 C ATOM 0 HA PRO A 86 -13.827 14.210 3.689 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -15.400 15.431 1.346 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -15.614 15.761 3.054 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -14.270 17.474 1.498 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -13.772 17.195 3.155 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -12.430 16.361 0.643 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -11.749 16.539 2.248 1.00 1.11 H new ATOM 1037 N ASP A 87 -14.862 12.940 0.857 1.00 0.82 N ATOM 1038 CA ASP A 87 -15.488 11.746 0.297 1.00 0.86 C ATOM 1039 C ASP A 87 -14.553 10.553 0.390 1.00 0.74 C ATOM 1040 O ASP A 87 -14.952 9.467 0.805 1.00 0.79 O ATOM 1041 CB ASP A 87 -15.880 11.966 -1.166 1.00 1.02 C ATOM 1042 CG ASP A 87 -17.047 12.913 -1.324 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -16.819 14.090 -1.684 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -18.196 12.485 -1.088 1.00 2.21 O ATOM 0 H ASP A 87 -14.588 13.637 0.164 1.00 0.82 H new ATOM 0 HA ASP A 87 -16.387 11.545 0.880 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -15.022 12.359 -1.712 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -16.133 11.007 -1.618 1.00 1.02 H new ATOM 1049 N GLU A 88 -13.303 10.772 0.020 1.00 0.68 N ATOM 1050 CA GLU A 88 -12.299 9.717 0.007 1.00 0.67 C ATOM 1051 C GLU A 88 -12.053 9.178 1.414 1.00 0.55 C ATOM 1052 O GLU A 88 -11.727 8.010 1.590 1.00 0.54 O ATOM 1053 CB GLU A 88 -10.990 10.252 -0.577 1.00 0.80 C ATOM 1054 CG GLU A 88 -11.156 10.924 -1.930 1.00 1.02 C ATOM 1055 CD GLU A 88 -11.648 9.975 -3.001 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -10.806 9.346 -3.672 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -12.875 9.858 -3.183 1.00 2.32 O ATOM 0 H GLU A 88 -12.954 11.683 -0.279 1.00 0.68 H new ATOM 0 HA GLU A 88 -12.669 8.901 -0.614 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -10.555 10.966 0.123 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -10.282 9.429 -0.674 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -11.858 11.752 -1.835 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -10.201 11.349 -2.239 1.00 1.02 H new ATOM 1064 N LYS A 89 -12.220 10.040 2.406 1.00 0.57 N ATOM 1065 CA LYS A 89 -11.986 9.681 3.797 1.00 0.62 C ATOM 1066 C LYS A 89 -12.955 8.596 4.259 1.00 0.59 C ATOM 1067 O LYS A 89 -12.537 7.560 4.778 1.00 0.64 O ATOM 1068 CB LYS A 89 -12.110 10.922 4.683 1.00 0.77 C ATOM 1069 CG LYS A 89 -11.810 10.661 6.148 1.00 1.34 C ATOM 1070 CD LYS A 89 -11.876 11.941 6.964 1.00 1.77 C ATOM 1071 CE LYS A 89 -11.593 11.678 8.434 1.00 2.39 C ATOM 1072 NZ LYS A 89 -12.620 10.798 9.055 1.00 2.81 N ATOM 0 H LYS A 89 -12.521 11.005 2.270 1.00 0.57 H new ATOM 0 HA LYS A 89 -10.976 9.281 3.882 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -11.430 11.690 4.314 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -13.120 11.321 4.594 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -12.523 9.938 6.544 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -10.819 10.217 6.245 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -11.154 12.659 6.576 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -12.863 12.392 6.857 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -10.611 11.216 8.536 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -11.557 12.626 8.971 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -12.518 10.822 10.090 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -13.569 11.133 8.793 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -12.492 9.823 8.717 1.00 2.81 H new ATOM 1086 N THR A 90 -14.244 8.827 4.055 1.00 0.62 N ATOM 1087 CA THR A 90 -15.254 7.856 4.448 1.00 0.69 C ATOM 1088 C THR A 90 -15.241 6.664 3.488 1.00 0.62 C ATOM 1089 O THR A 90 -15.602 5.545 3.859 1.00 0.69 O ATOM 1090 CB THR A 90 -16.667 8.492 4.510 1.00 0.86 C ATOM 1091 OG1 THR A 90 -17.631 7.533 4.962 1.00 1.33 O ATOM 1092 CG2 THR A 90 -17.094 9.037 3.154 1.00 1.17 C ATOM 0 H THR A 90 -14.613 9.673 3.622 1.00 0.62 H new ATOM 0 HA THR A 90 -15.010 7.507 5.451 1.00 0.69 H new ATOM 0 HB THR A 90 -16.619 9.321 5.217 1.00 0.86 H new ATOM 0 HG1 THR A 90 -18.517 7.951 4.997 1.00 1.33 H new ATOM 0 HG21 THR A 90 -18.089 9.475 3.235 1.00 1.17 H new ATOM 0 HG22 THR A 90 -16.387 9.800 2.829 1.00 1.17 H new ATOM 0 HG23 THR A 90 -17.113 8.226 2.426 1.00 1.17 H new ATOM 1100 N LYS A 91 -14.792 6.913 2.265 1.00 0.57 N ATOM 1101 CA LYS A 91 -14.676 5.872 1.257 1.00 0.64 C ATOM 1102 C LYS A 91 -13.565 4.895 1.626 1.00 0.63 C ATOM 1103 O LYS A 91 -13.772 3.681 1.647 1.00 0.73 O ATOM 1104 CB LYS A 91 -14.389 6.504 -0.104 1.00 0.73 C ATOM 1105 CG LYS A 91 -14.298 5.509 -1.247 1.00 1.06 C ATOM 1106 CD LYS A 91 -13.899 6.196 -2.543 1.00 1.51 C ATOM 1107 CE LYS A 91 -14.916 7.246 -2.962 1.00 1.83 C ATOM 1108 NZ LYS A 91 -14.472 7.997 -4.162 1.00 2.41 N ATOM 0 H LYS A 91 -14.500 7.837 1.947 1.00 0.57 H new ATOM 0 HA LYS A 91 -15.616 5.323 1.207 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -15.173 7.227 -0.329 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -13.452 7.058 -0.044 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -13.569 4.736 -1.003 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -15.259 5.011 -1.377 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -12.922 6.664 -2.420 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -13.799 5.452 -3.333 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -15.872 6.764 -3.168 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -15.081 7.941 -2.139 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -15.290 8.185 -4.776 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -14.044 8.899 -3.869 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -13.770 7.434 -4.684 1.00 2.41 H new ATOM 1122 N ALA A 92 -12.391 5.433 1.941 1.00 0.58 N ATOM 1123 CA ALA A 92 -11.243 4.616 2.304 1.00 0.67 C ATOM 1124 C ALA A 92 -11.473 3.943 3.646 1.00 0.68 C ATOM 1125 O ALA A 92 -10.835 2.946 3.963 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.972 5.454 2.343 1.00 0.74 C ATOM 0 H ALA A 92 -12.211 6.437 1.951 1.00 0.58 H new ATOM 0 HA ALA A 92 -11.121 3.845 1.543 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -9.127 4.822 2.617 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.794 5.892 1.361 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -10.083 6.250 3.080 1.00 0.74 H new ATOM 1132 N LYS A 93 -12.387 4.497 4.429 1.00 0.64 N ATOM 1133 CA LYS A 93 -12.753 3.905 5.703 1.00 0.71 C ATOM 1134 C LYS A 93 -13.561 2.632 5.469 1.00 0.70 C ATOM 1135 O LYS A 93 -13.271 1.580 6.043 1.00 0.79 O ATOM 1136 CB LYS A 93 -13.553 4.906 6.544 1.00 0.80 C ATOM 1137 CG LYS A 93 -13.882 4.418 7.946 1.00 1.09 C ATOM 1138 CD LYS A 93 -12.626 4.140 8.757 1.00 1.56 C ATOM 1139 CE LYS A 93 -12.967 3.700 10.170 1.00 2.00 C ATOM 1140 NZ LYS A 93 -11.761 3.280 10.927 1.00 2.44 N ATOM 0 H LYS A 93 -12.888 5.356 4.202 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.846 3.648 6.250 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -12.988 5.835 6.618 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -14.483 5.139 6.025 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -14.487 5.166 8.458 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -14.482 3.510 7.883 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -12.037 3.366 8.265 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -12.008 5.037 8.792 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -13.459 4.518 10.696 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -13.677 2.874 10.131 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -12.037 2.987 11.886 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -11.305 2.482 10.439 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -11.094 4.076 10.987 1.00 2.44 H new ATOM 1154 N LYS A 94 -14.560 2.733 4.597 1.00 0.66 N ATOM 1155 CA LYS A 94 -15.391 1.593 4.237 1.00 0.71 C ATOM 1156 C LYS A 94 -14.567 0.553 3.480 1.00 0.67 C ATOM 1157 O LYS A 94 -14.711 -0.650 3.690 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.573 2.061 3.381 1.00 0.78 C ATOM 1159 CG LYS A 94 -17.552 0.956 3.024 1.00 1.36 C ATOM 1160 CD LYS A 94 -18.711 1.488 2.195 1.00 1.79 C ATOM 1161 CE LYS A 94 -19.702 0.390 1.843 1.00 2.57 C ATOM 1162 NZ LYS A 94 -20.319 -0.214 3.053 1.00 2.85 N ATOM 0 H LYS A 94 -14.813 3.601 4.124 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.774 1.133 5.148 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -17.107 2.847 3.915 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -16.190 2.504 2.462 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -17.034 0.174 2.468 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -17.935 0.498 3.936 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -19.222 2.276 2.748 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -18.327 1.939 1.280 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -20.484 0.799 1.203 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -19.195 -0.386 1.269 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -21.126 -0.807 2.772 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -19.615 -0.799 3.546 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -20.648 0.541 3.688 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.695 1.034 2.606 1.00 0.60 N ATOM 1177 CA ALA A 95 -12.810 0.165 1.844 1.00 0.60 C ATOM 1178 C ALA A 95 -11.801 -0.531 2.760 1.00 0.57 C ATOM 1179 O ALA A 95 -11.437 -1.686 2.537 1.00 0.57 O ATOM 1180 CB ALA A 95 -12.098 0.971 0.769 1.00 0.63 C ATOM 0 H ALA A 95 -13.581 2.028 2.406 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.409 -0.610 1.366 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -11.437 0.316 0.201 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -12.834 1.413 0.098 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.512 1.762 1.236 1.00 0.63 H new ATOM 1186 N ALA A 96 -11.371 0.176 3.804 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.390 -0.353 4.748 1.00 0.58 C ATOM 1188 C ALA A 96 -10.920 -1.575 5.480 1.00 0.56 C ATOM 1189 O ALA A 96 -10.220 -2.577 5.606 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.981 0.712 5.752 1.00 0.64 C ATOM 0 H ALA A 96 -11.689 1.121 4.017 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.516 -0.654 4.171 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -9.250 0.297 6.446 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -9.541 1.559 5.225 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -10.858 1.045 6.306 1.00 0.64 H new ATOM 1196 N GLU A 97 -12.156 -1.495 5.962 1.00 0.57 N ATOM 1197 CA GLU A 97 -12.748 -2.598 6.706 1.00 0.63 C ATOM 1198 C GLU A 97 -13.106 -3.751 5.778 1.00 0.55 C ATOM 1199 O GLU A 97 -13.193 -4.899 6.208 1.00 0.58 O ATOM 1200 CB GLU A 97 -13.971 -2.136 7.501 1.00 0.80 C ATOM 1201 CG GLU A 97 -15.025 -1.427 6.671 1.00 1.46 C ATOM 1202 CD GLU A 97 -16.099 -0.794 7.528 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -17.066 -1.495 7.895 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -15.977 0.406 7.849 1.00 2.39 O ATOM 0 H GLU A 97 -12.763 -0.683 5.851 1.00 0.57 H new ATOM 0 HA GLU A 97 -12.004 -2.956 7.418 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -14.426 -3.002 7.981 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -13.641 -1.467 8.296 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -14.549 -0.658 6.062 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -15.483 -2.139 5.984 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.296 -3.444 4.503 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.535 -4.473 3.504 1.00 0.57 C ATOM 1213 C GLU A 98 -12.248 -5.255 3.256 1.00 0.52 C ATOM 1214 O GLU A 98 -12.207 -6.473 3.403 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.026 -3.853 2.197 1.00 0.66 C ATOM 1216 CG GLU A 98 -14.471 -4.881 1.172 1.00 1.40 C ATOM 1217 CD GLU A 98 -15.730 -5.611 1.591 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -15.627 -6.659 2.267 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -16.834 -5.135 1.242 1.00 2.66 O ATOM 0 H GLU A 98 -13.289 -2.492 4.137 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.306 -5.148 3.876 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -14.857 -3.181 2.412 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -13.228 -3.246 1.769 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -14.643 -4.386 0.217 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -13.670 -5.604 1.016 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.189 -4.539 2.918 1.00 0.46 N ATOM 1227 CA ALA A 99 -9.902 -5.158 2.637 1.00 0.49 C ATOM 1228 C ALA A 99 -9.270 -5.724 3.908 1.00 0.46 C ATOM 1229 O ALA A 99 -8.326 -6.512 3.854 1.00 0.50 O ATOM 1230 CB ALA A 99 -8.977 -4.154 1.973 1.00 0.58 C ATOM 0 H ALA A 99 -11.194 -3.523 2.831 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.063 -5.992 1.953 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.016 -4.626 1.766 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -9.422 -3.812 1.039 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -8.828 -3.302 2.637 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.812 -5.324 5.054 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.338 -5.799 6.348 1.00 0.53 C ATOM 1238 C ARG A 100 -9.470 -7.321 6.449 1.00 0.51 C ATOM 1239 O ARG A 100 -8.719 -7.970 7.174 1.00 0.56 O ATOM 1240 CB ARG A 100 -10.125 -5.116 7.472 1.00 0.64 C ATOM 1241 CG ARG A 100 -9.561 -5.346 8.866 1.00 1.22 C ATOM 1242 CD ARG A 100 -10.378 -4.607 9.919 1.00 1.52 C ATOM 1243 NE ARG A 100 -10.393 -3.160 9.694 1.00 2.17 N ATOM 1244 CZ ARG A 100 -11.403 -2.356 10.039 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -12.480 -2.844 10.641 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -11.333 -1.056 9.784 1.00 3.77 N ATOM 0 H ARG A 100 -10.588 -4.665 5.111 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.283 -5.545 6.449 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -10.155 -4.044 7.278 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -11.154 -5.473 7.447 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -9.557 -6.413 9.088 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -8.525 -5.009 8.902 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -11.401 -4.984 9.913 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -9.967 -4.815 10.907 1.00 1.52 H new ATOM 0 HE ARG A 100 -9.580 -2.739 9.245 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -12.542 -3.842 10.845 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -13.245 -2.222 10.900 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -10.508 -0.670 9.325 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -12.104 -0.442 10.047 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.413 -7.887 5.695 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.624 -9.335 5.690 1.00 0.58 C ATOM 1262 C LYS A 101 -9.442 -10.074 5.061 1.00 0.63 C ATOM 1263 O LYS A 101 -9.219 -11.250 5.346 1.00 0.81 O ATOM 1264 CB LYS A 101 -11.915 -9.707 4.949 1.00 0.74 C ATOM 1265 CG LYS A 101 -13.149 -9.815 5.841 1.00 1.37 C ATOM 1266 CD LYS A 101 -13.659 -8.460 6.313 1.00 1.81 C ATOM 1267 CE LYS A 101 -14.215 -7.626 5.166 1.00 2.63 C ATOM 1268 NZ LYS A 101 -15.330 -8.301 4.448 1.00 3.24 N ATOM 0 H LYS A 101 -11.041 -7.367 5.082 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.712 -9.644 6.732 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -12.104 -8.960 4.178 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -11.765 -10.660 4.441 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -13.942 -10.326 5.295 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -12.911 -10.431 6.709 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -14.436 -8.607 7.064 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -12.847 -7.916 6.796 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -14.566 -6.670 5.555 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -13.414 -7.408 4.460 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -15.758 -7.639 3.770 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -14.963 -9.130 3.938 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -16.050 -8.607 5.134 1.00 3.24 H new ATOM 1282 N TRP A 102 -8.680 -9.381 4.222 1.00 0.57 N ATOM 1283 CA TRP A 102 -7.569 -10.005 3.510 1.00 0.71 C ATOM 1284 C TRP A 102 -6.228 -9.452 3.984 1.00 0.64 C ATOM 1285 O TRP A 102 -5.240 -9.487 3.254 1.00 0.73 O ATOM 1286 CB TRP A 102 -7.720 -9.801 2.000 1.00 0.84 C ATOM 1287 CG TRP A 102 -8.892 -10.532 1.419 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -8.902 -11.810 0.944 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -10.223 -10.030 1.249 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -10.157 -12.135 0.493 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -10.985 -11.058 0.668 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -10.843 -8.810 1.535 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -12.336 -10.906 0.369 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -12.185 -8.660 1.235 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -12.918 -9.702 0.659 1.00 2.21 C ATOM 0 H TRP A 102 -8.810 -8.390 4.018 1.00 0.57 H new ATOM 0 HA TRP A 102 -7.591 -11.073 3.727 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -7.825 -8.736 1.793 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -6.809 -10.134 1.502 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -8.047 -12.470 0.925 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -10.429 -13.033 0.093 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -10.285 -8.000 1.982 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -12.904 -11.709 -0.076 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -12.675 -7.722 1.449 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -13.965 -9.554 0.438 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.210 -8.942 5.216 1.00 0.56 N ATOM 1307 CA ASN A 103 -4.990 -8.416 5.834 1.00 0.64 C ATOM 1308 C ASN A 103 -4.404 -7.255 5.038 1.00 0.56 C ATOM 1309 O ASN A 103 -3.184 -7.123 4.919 1.00 0.70 O ATOM 1310 CB ASN A 103 -3.929 -9.513 5.999 1.00 0.89 C ATOM 1311 CG ASN A 103 -4.252 -10.501 7.104 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -4.906 -10.034 8.159 1.00 1.58 O flip ATOM 1313 ND2 ASN A 103 -3.902 -11.677 7.020 1.00 2.00 N flip ATOM 0 H ASN A 103 -7.036 -8.881 5.812 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.276 -8.048 6.819 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -3.826 -10.053 5.058 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -2.965 -9.048 6.207 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -3.400 -12.002 6.193 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -4.113 -12.327 7.777 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.268 -6.420 4.489 1.00 0.46 N ATOM 1321 CA VAL A 104 -4.817 -5.223 3.803 1.00 0.45 C ATOM 1322 C VAL A 104 -4.823 -4.047 4.769 1.00 0.48 C ATOM 1323 O VAL A 104 -5.884 -3.576 5.188 1.00 0.63 O ATOM 1324 CB VAL A 104 -5.697 -4.892 2.583 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.131 -3.706 1.816 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -5.841 -6.107 1.673 1.00 0.99 C ATOM 0 H VAL A 104 -6.280 -6.547 4.504 1.00 0.46 H new ATOM 0 HA VAL A 104 -3.805 -5.409 3.443 1.00 0.45 H new ATOM 0 HB VAL A 104 -6.689 -4.621 2.944 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -5.768 -3.490 0.958 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.094 -2.834 2.469 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.125 -3.943 1.470 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.467 -5.849 0.818 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -4.857 -6.417 1.322 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.303 -6.924 2.227 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.638 -3.588 5.138 1.00 0.45 N ATOM 1337 CA ARG A 105 -3.511 -2.507 6.104 1.00 0.48 C ATOM 1338 C ARG A 105 -3.443 -1.161 5.402 1.00 0.44 C ATOM 1339 O ARG A 105 -2.724 -0.999 4.415 1.00 0.51 O ATOM 1340 CB ARG A 105 -2.266 -2.692 6.975 1.00 0.59 C ATOM 1341 CG ARG A 105 -2.235 -4.006 7.735 1.00 1.28 C ATOM 1342 CD ARG A 105 -1.085 -4.047 8.732 1.00 1.72 C ATOM 1343 NE ARG A 105 0.223 -3.840 8.102 1.00 2.38 N ATOM 1344 CZ ARG A 105 1.277 -3.316 8.738 1.00 3.11 C ATOM 1345 NH1 ARG A 105 1.189 -2.975 10.018 1.00 3.33 N ATOM 1346 NH2 ARG A 105 2.429 -3.139 8.101 1.00 4.06 N ATOM 0 H ARG A 105 -2.751 -3.946 4.784 1.00 0.45 H new ATOM 0 HA ARG A 105 -4.394 -2.532 6.742 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -1.380 -2.628 6.343 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -2.208 -1.870 7.688 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -3.179 -4.145 8.261 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -2.137 -4.832 7.031 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -1.242 -3.282 9.492 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -1.088 -5.009 9.244 1.00 1.72 H new ATOM 0 HE ARG A 105 0.335 -4.110 7.125 1.00 2.38 H new ATOM 0 HH11 ARG A 105 0.314 -3.112 10.523 1.00 3.33 H new ATOM 0 HH12 ARG A 105 1.997 -2.576 10.496 1.00 3.33 H new ATOM 0 HH21 ARG A 105 2.515 -3.403 7.120 1.00 4.06 H new ATOM 0 HH22 ARG A 105 3.228 -2.739 8.593 1.00 4.06 H new ATOM 1360 N VAL A 106 -4.195 -0.200 5.915 1.00 0.47 N ATOM 1361 CA VAL A 106 -4.165 1.154 5.386 1.00 0.48 C ATOM 1362 C VAL A 106 -3.133 1.989 6.137 1.00 0.50 C ATOM 1363 O VAL A 106 -3.108 2.007 7.368 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.552 1.832 5.458 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -6.516 1.174 4.485 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -6.114 1.780 6.872 1.00 1.58 C ATOM 0 H VAL A 106 -4.835 -0.333 6.698 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.884 1.090 4.335 1.00 0.48 H new ATOM 0 HB VAL A 106 -5.429 2.878 5.179 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -7.488 1.664 4.549 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -6.129 1.267 3.470 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -6.624 0.119 4.737 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -7.090 2.264 6.894 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -6.217 0.741 7.184 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -5.437 2.298 7.552 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.266 2.655 5.396 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.203 3.440 5.997 1.00 0.58 C ATOM 1378 C ARG A 107 -1.071 4.774 5.272 1.00 0.49 C ATOM 1379 O ARG A 107 -1.460 4.893 4.111 1.00 0.48 O ATOM 1380 CB ARG A 107 0.109 2.660 5.923 1.00 0.74 C ATOM 1381 CG ARG A 107 1.174 3.120 6.904 1.00 1.02 C ATOM 1382 CD ARG A 107 0.904 2.625 8.318 1.00 0.90 C ATOM 1383 NE ARG A 107 -0.233 3.296 8.946 1.00 1.58 N ATOM 1384 CZ ARG A 107 -0.979 2.753 9.905 1.00 2.15 C ATOM 1385 NH1 ARG A 107 -0.717 1.527 10.336 1.00 2.26 N ATOM 1386 NH2 ARG A 107 -1.986 3.438 10.432 1.00 3.00 N ATOM 0 H ARG A 107 -2.277 2.668 4.376 1.00 0.46 H new ATOM 0 HA ARG A 107 -1.440 3.636 7.043 1.00 0.58 H new ATOM 0 HB2 ARG A 107 -0.100 1.605 6.102 1.00 0.74 H new ATOM 0 HB3 ARG A 107 0.507 2.739 4.911 1.00 0.74 H new ATOM 0 HG2 ARG A 107 2.149 2.760 6.575 1.00 1.02 H new ATOM 0 HG3 ARG A 107 1.219 4.209 6.904 1.00 1.02 H new ATOM 0 HD2 ARG A 107 0.718 1.551 8.293 1.00 0.90 H new ATOM 0 HD3 ARG A 107 1.794 2.780 8.928 1.00 0.90 H new ATOM 0 HE ARG A 107 -0.469 4.237 8.630 1.00 1.58 H new ATOM 0 HH11 ARG A 107 0.057 0.999 9.933 1.00 2.26 H new ATOM 0 HH12 ARG A 107 -1.289 1.112 11.071 1.00 2.26 H new ATOM 0 HH21 ARG A 107 -2.189 4.382 10.102 1.00 3.00 H new ATOM 0 HH22 ARG A 107 -2.557 3.021 11.167 1.00 3.00 H new ATOM 1400 N THR A 108 -0.532 5.772 5.956 1.00 0.56 N ATOM 1401 CA THR A 108 -0.404 7.105 5.392 1.00 0.51 C ATOM 1402 C THR A 108 1.064 7.505 5.252 1.00 0.52 C ATOM 1403 O THR A 108 1.872 7.273 6.155 1.00 0.66 O ATOM 1404 CB THR A 108 -1.142 8.131 6.272 1.00 0.59 C ATOM 1405 OG1 THR A 108 -2.486 7.681 6.508 1.00 0.86 O ATOM 1406 CG2 THR A 108 -1.174 9.502 5.612 1.00 0.68 C ATOM 0 H THR A 108 -0.175 5.682 6.907 1.00 0.56 H new ATOM 0 HA THR A 108 -0.854 7.093 4.399 1.00 0.51 H new ATOM 0 HB THR A 108 -0.606 8.219 7.217 1.00 0.59 H new ATOM 0 HG1 THR A 108 -2.955 8.333 7.069 1.00 0.86 H new ATOM 0 HG21 THR A 108 -1.702 10.204 6.257 1.00 0.68 H new ATOM 0 HG22 THR A 108 -0.154 9.852 5.451 1.00 0.68 H new ATOM 0 HG23 THR A 108 -1.689 9.433 4.654 1.00 0.68 H new ATOM 1414 N VAL A 109 1.403 8.083 4.106 1.00 0.47 N ATOM 1415 CA VAL A 109 2.760 8.546 3.851 1.00 0.55 C ATOM 1416 C VAL A 109 2.760 10.013 3.433 1.00 0.57 C ATOM 1417 O VAL A 109 2.163 10.381 2.420 1.00 0.62 O ATOM 1418 CB VAL A 109 3.451 7.707 2.748 1.00 0.67 C ATOM 1419 CG1 VAL A 109 4.838 8.254 2.441 1.00 1.51 C ATOM 1420 CG2 VAL A 109 3.535 6.245 3.159 1.00 1.05 C ATOM 0 H VAL A 109 0.753 8.242 3.336 1.00 0.47 H new ATOM 0 HA VAL A 109 3.317 8.429 4.781 1.00 0.55 H new ATOM 0 HB VAL A 109 2.848 7.777 1.843 1.00 0.67 H new ATOM 0 HG11 VAL A 109 5.304 7.649 1.663 1.00 1.51 H new ATOM 0 HG12 VAL A 109 4.755 9.285 2.097 1.00 1.51 H new ATOM 0 HG13 VAL A 109 5.450 8.221 3.342 1.00 1.51 H new ATOM 0 HG21 VAL A 109 4.024 5.673 2.370 1.00 1.05 H new ATOM 0 HG22 VAL A 109 4.111 6.159 4.080 1.00 1.05 H new ATOM 0 HG23 VAL A 109 2.530 5.854 3.321 1.00 1.05 H new ATOM 1430 N THR A 110 3.413 10.851 4.222 1.00 0.70 N ATOM 1431 CA THR A 110 3.555 12.260 3.888 1.00 0.84 C ATOM 1432 C THR A 110 5.026 12.636 3.730 1.00 0.84 C ATOM 1433 O THR A 110 5.352 13.746 3.312 1.00 0.97 O ATOM 1434 CB THR A 110 2.898 13.163 4.953 1.00 1.02 C ATOM 1435 OG1 THR A 110 3.234 12.707 6.274 1.00 1.55 O ATOM 1436 CG2 THR A 110 1.385 13.183 4.788 1.00 1.45 C ATOM 0 H THR A 110 3.854 10.579 5.101 1.00 0.70 H new ATOM 0 HA THR A 110 3.043 12.419 2.939 1.00 0.84 H new ATOM 0 HB THR A 110 3.279 14.175 4.816 1.00 1.02 H new ATOM 0 HG1 THR A 110 4.092 12.235 6.249 1.00 1.55 H new ATOM 0 HG21 THR A 110 0.944 13.826 5.550 1.00 1.45 H new ATOM 0 HG22 THR A 110 1.132 13.566 3.799 1.00 1.45 H new ATOM 0 HG23 THR A 110 0.994 12.171 4.896 1.00 1.45 H new ATOM 1444 N SER A 111 5.907 11.703 4.065 1.00 0.79 N ATOM 1445 CA SER A 111 7.339 11.933 3.982 1.00 0.85 C ATOM 1446 C SER A 111 8.089 10.616 3.766 1.00 0.76 C ATOM 1447 O SER A 111 7.619 9.569 4.217 1.00 0.69 O ATOM 1448 CB SER A 111 7.825 12.628 5.257 1.00 0.96 C ATOM 1449 OG SER A 111 7.346 11.960 6.414 1.00 1.52 O ATOM 0 H SER A 111 5.650 10.774 4.399 1.00 0.79 H new ATOM 0 HA SER A 111 7.543 12.578 3.127 1.00 0.85 H new ATOM 0 HB2 SER A 111 8.915 12.650 5.271 1.00 0.96 H new ATOM 0 HB3 SER A 111 7.485 13.664 5.263 1.00 0.96 H new ATOM 0 HG SER A 111 6.544 11.446 6.186 1.00 1.52 H new ATOM 1455 N PRO A 112 9.232 10.643 3.055 1.00 0.82 N ATOM 1456 CA PRO A 112 10.013 9.432 2.738 1.00 0.80 C ATOM 1457 C PRO A 112 10.207 8.498 3.935 1.00 0.70 C ATOM 1458 O PRO A 112 10.005 7.283 3.823 1.00 0.74 O ATOM 1459 CB PRO A 112 11.355 10.004 2.281 1.00 0.95 C ATOM 1460 CG PRO A 112 11.011 11.323 1.682 1.00 1.05 C ATOM 1461 CD PRO A 112 9.854 11.857 2.486 1.00 0.97 C ATOM 0 HA PRO A 112 9.509 8.811 1.997 1.00 0.80 H new ATOM 0 HB2 PRO A 112 12.045 10.115 3.117 1.00 0.95 H new ATOM 0 HB3 PRO A 112 11.838 9.351 1.554 1.00 0.95 H new ATOM 0 HG2 PRO A 112 11.861 12.004 1.723 1.00 1.05 H new ATOM 0 HG3 PRO A 112 10.739 11.215 0.632 1.00 1.05 H new ATOM 0 HD2 PRO A 112 10.190 12.538 3.268 1.00 0.97 H new ATOM 0 HD3 PRO A 112 9.153 12.410 1.861 1.00 0.97 H new ATOM 1469 N ASP A 113 10.566 9.084 5.079 1.00 0.67 N ATOM 1470 CA ASP A 113 10.847 8.328 6.304 1.00 0.66 C ATOM 1471 C ASP A 113 9.736 7.339 6.635 1.00 0.59 C ATOM 1472 O ASP A 113 10.003 6.198 7.025 1.00 0.63 O ATOM 1473 CB ASP A 113 11.031 9.282 7.483 1.00 0.74 C ATOM 1474 CG ASP A 113 11.219 8.542 8.792 1.00 1.73 C ATOM 1475 OD1 ASP A 113 10.227 8.349 9.524 1.00 2.48 O ATOM 1476 OD2 ASP A 113 12.360 8.132 9.086 1.00 2.44 O ATOM 0 H ASP A 113 10.670 10.093 5.184 1.00 0.67 H new ATOM 0 HA ASP A 113 11.764 7.766 6.128 1.00 0.66 H new ATOM 0 HB2 ASP A 113 11.896 9.920 7.301 1.00 0.74 H new ATOM 0 HB3 ASP A 113 10.162 9.936 7.558 1.00 0.74 H new ATOM 1481 N GLU A 114 8.498 7.779 6.477 1.00 0.57 N ATOM 1482 CA GLU A 114 7.346 6.950 6.785 1.00 0.60 C ATOM 1483 C GLU A 114 7.323 5.715 5.896 1.00 0.52 C ATOM 1484 O GLU A 114 7.316 4.592 6.392 1.00 0.52 O ATOM 1485 CB GLU A 114 6.061 7.754 6.616 1.00 0.73 C ATOM 1486 CG GLU A 114 5.973 8.942 7.556 1.00 1.18 C ATOM 1487 CD GLU A 114 4.776 9.816 7.271 1.00 1.99 C ATOM 1488 OE1 GLU A 114 3.722 9.616 7.907 1.00 2.63 O ATOM 1489 OE2 GLU A 114 4.886 10.706 6.405 1.00 2.70 O ATOM 0 H GLU A 114 8.265 8.711 6.135 1.00 0.57 H new ATOM 0 HA GLU A 114 7.420 6.622 7.822 1.00 0.60 H new ATOM 0 HB2 GLU A 114 5.993 8.107 5.587 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.206 7.100 6.786 1.00 0.73 H new ATOM 0 HG2 GLU A 114 5.921 8.585 8.584 1.00 1.18 H new ATOM 0 HG3 GLU A 114 6.882 9.537 7.471 1.00 1.18 H new ATOM 1496 N ALA A 115 7.355 5.931 4.587 1.00 0.55 N ATOM 1497 CA ALA A 115 7.314 4.833 3.624 1.00 0.58 C ATOM 1498 C ALA A 115 8.427 3.828 3.899 1.00 0.51 C ATOM 1499 O ALA A 115 8.215 2.618 3.835 1.00 0.51 O ATOM 1500 CB ALA A 115 7.423 5.369 2.205 1.00 0.70 C ATOM 0 H ALA A 115 7.409 6.858 4.165 1.00 0.55 H new ATOM 0 HA ALA A 115 6.358 4.321 3.732 1.00 0.58 H new ATOM 0 HB1 ALA A 115 7.391 4.539 1.499 1.00 0.70 H new ATOM 0 HB2 ALA A 115 6.592 6.046 2.007 1.00 0.70 H new ATOM 0 HB3 ALA A 115 8.364 5.907 2.090 1.00 0.70 H new ATOM 1506 N LYS A 116 9.601 4.347 4.230 1.00 0.51 N ATOM 1507 CA LYS A 116 10.760 3.521 4.541 1.00 0.51 C ATOM 1508 C LYS A 116 10.473 2.566 5.702 1.00 0.44 C ATOM 1509 O LYS A 116 10.746 1.368 5.610 1.00 0.49 O ATOM 1510 CB LYS A 116 11.956 4.417 4.878 1.00 0.64 C ATOM 1511 CG LYS A 116 13.195 3.665 5.331 1.00 1.38 C ATOM 1512 CD LYS A 116 14.350 4.618 5.595 1.00 1.43 C ATOM 1513 CE LYS A 116 15.551 3.900 6.192 1.00 1.80 C ATOM 1514 NZ LYS A 116 16.056 2.815 5.308 1.00 2.33 N ATOM 0 H LYS A 116 9.777 5.350 4.291 1.00 0.51 H new ATOM 0 HA LYS A 116 10.992 2.916 3.664 1.00 0.51 H new ATOM 0 HB2 LYS A 116 12.208 5.012 4.000 1.00 0.64 H new ATOM 0 HB3 LYS A 116 11.662 5.115 5.662 1.00 0.64 H new ATOM 0 HG2 LYS A 116 12.971 3.101 6.237 1.00 1.38 H new ATOM 0 HG3 LYS A 116 13.484 2.942 4.569 1.00 1.38 H new ATOM 0 HD2 LYS A 116 14.642 5.102 4.663 1.00 1.43 H new ATOM 0 HD3 LYS A 116 14.023 5.406 6.274 1.00 1.43 H new ATOM 0 HE2 LYS A 116 16.349 4.620 6.372 1.00 1.80 H new ATOM 0 HE3 LYS A 116 15.276 3.479 7.159 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 16.933 2.422 5.706 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 15.341 2.063 5.238 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 16.248 3.200 4.361 1.00 2.33 H new ATOM 1528 N ARG A 117 9.900 3.089 6.780 1.00 0.42 N ATOM 1529 CA ARG A 117 9.675 2.283 7.973 1.00 0.44 C ATOM 1530 C ARG A 117 8.448 1.383 7.818 1.00 0.43 C ATOM 1531 O ARG A 117 8.382 0.313 8.425 1.00 0.50 O ATOM 1532 CB ARG A 117 9.539 3.164 9.221 1.00 0.57 C ATOM 1533 CG ARG A 117 8.298 4.039 9.240 1.00 0.90 C ATOM 1534 CD ARG A 117 8.224 4.866 10.513 1.00 1.39 C ATOM 1535 NE ARG A 117 9.321 5.829 10.610 1.00 1.99 N ATOM 1536 CZ ARG A 117 10.257 5.811 11.559 1.00 2.83 C ATOM 1537 NH1 ARG A 117 10.264 4.859 12.488 1.00 3.30 N ATOM 1538 NH2 ARG A 117 11.193 6.745 11.569 1.00 3.61 N ATOM 0 H ARG A 117 9.586 4.057 6.852 1.00 0.42 H new ATOM 0 HA ARG A 117 10.549 1.643 8.099 1.00 0.44 H new ATOM 0 HB2 ARG A 117 9.531 2.524 10.103 1.00 0.57 H new ATOM 0 HB3 ARG A 117 10.420 3.802 9.298 1.00 0.57 H new ATOM 0 HG2 ARG A 117 8.304 4.701 8.374 1.00 0.90 H new ATOM 0 HG3 ARG A 117 7.409 3.414 9.158 1.00 0.90 H new ATOM 0 HD2 ARG A 117 7.273 5.397 10.545 1.00 1.39 H new ATOM 0 HD3 ARG A 117 8.248 4.202 11.377 1.00 1.39 H new ATOM 0 HE ARG A 117 9.373 6.563 9.904 1.00 1.99 H new ATOM 0 HH11 ARG A 117 9.548 4.132 12.479 1.00 3.30 H new ATOM 0 HH12 ARG A 117 10.985 4.856 13.209 1.00 3.30 H new ATOM 0 HH21 ARG A 117 11.195 7.472 10.854 1.00 3.61 H new ATOM 0 HH22 ARG A 117 11.913 6.738 12.292 1.00 3.61 H new ATOM 1552 N TRP A 118 7.484 1.808 7.004 1.00 0.43 N ATOM 1553 CA TRP A 118 6.288 1.003 6.772 1.00 0.51 C ATOM 1554 C TRP A 118 6.638 -0.242 5.968 1.00 0.51 C ATOM 1555 O TRP A 118 6.133 -1.331 6.241 1.00 0.60 O ATOM 1556 CB TRP A 118 5.197 1.801 6.047 1.00 0.59 C ATOM 1557 CG TRP A 118 4.716 3.027 6.779 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.329 4.204 6.207 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.564 3.206 8.201 1.00 1.69 C ATOM 1560 NE1 TRP A 118 3.947 5.102 7.172 1.00 1.51 N ATOM 1561 CE2 TRP A 118 4.082 4.518 8.403 1.00 2.00 C ATOM 1562 CE3 TRP A 118 4.783 2.397 9.323 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 3.820 5.029 9.670 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 4.522 2.909 10.578 1.00 3.18 C ATOM 1565 CH2 TRP A 118 4.045 4.214 10.743 1.00 3.39 C ATOM 0 H TRP A 118 7.507 2.694 6.500 1.00 0.43 H new ATOM 0 HA TRP A 118 5.897 0.709 7.746 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.576 2.104 5.071 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.345 1.145 5.868 1.00 0.59 H new ATOM 0 HD1 TRP A 118 4.324 4.401 5.145 1.00 0.98 H new ATOM 0 HE1 TRP A 118 3.616 6.051 7.000 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.150 1.388 9.208 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 3.451 6.036 9.801 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 4.689 2.291 11.448 1.00 3.18 H new ATOM 0 HH2 TRP A 118 3.851 4.584 11.739 1.00 3.39 H new ATOM 1576 N ILE A 119 7.512 -0.077 4.984 1.00 0.48 N ATOM 1577 CA ILE A 119 7.979 -1.200 4.183 1.00 0.54 C ATOM 1578 C ILE A 119 8.858 -2.120 5.029 1.00 0.53 C ATOM 1579 O ILE A 119 8.812 -3.344 4.888 1.00 0.58 O ATOM 1580 CB ILE A 119 8.761 -0.718 2.937 1.00 0.60 C ATOM 1581 CG1 ILE A 119 7.843 0.102 2.024 1.00 0.67 C ATOM 1582 CG2 ILE A 119 9.350 -1.898 2.173 1.00 0.69 C ATOM 1583 CD1 ILE A 119 8.544 0.669 0.807 1.00 0.81 C ATOM 0 H ILE A 119 7.912 0.824 4.721 1.00 0.48 H new ATOM 0 HA ILE A 119 7.105 -1.753 3.839 1.00 0.54 H new ATOM 0 HB ILE A 119 9.584 -0.087 3.272 1.00 0.60 H new ATOM 0 HG12 ILE A 119 7.016 -0.527 1.696 1.00 0.67 H new ATOM 0 HG13 ILE A 119 7.412 0.922 2.599 1.00 0.67 H new ATOM 0 HG21 ILE A 119 9.894 -1.532 1.302 1.00 0.69 H new ATOM 0 HG22 ILE A 119 10.031 -2.448 2.822 1.00 0.69 H new ATOM 0 HG23 ILE A 119 8.546 -2.558 1.847 1.00 0.69 H new ATOM 0 HD11 ILE A 119 7.832 1.237 0.208 1.00 0.81 H new ATOM 0 HD12 ILE A 119 9.354 1.325 1.126 1.00 0.81 H new ATOM 0 HD13 ILE A 119 8.952 -0.146 0.209 1.00 0.81 H new ATOM 1595 N LYS A 120 9.634 -1.517 5.924 1.00 0.52 N ATOM 1596 CA LYS A 120 10.518 -2.259 6.816 1.00 0.57 C ATOM 1597 C LYS A 120 9.736 -3.260 7.667 1.00 0.56 C ATOM 1598 O LYS A 120 10.024 -4.458 7.648 1.00 0.61 O ATOM 1599 CB LYS A 120 11.285 -1.287 7.718 1.00 0.66 C ATOM 1600 CG LYS A 120 12.216 -1.964 8.712 1.00 1.08 C ATOM 1601 CD LYS A 120 12.997 -0.943 9.522 1.00 1.68 C ATOM 1602 CE LYS A 120 13.926 -1.607 10.526 1.00 2.25 C ATOM 1603 NZ LYS A 120 13.179 -2.322 11.592 1.00 2.76 N ATOM 0 H LYS A 120 9.668 -0.506 6.051 1.00 0.52 H new ATOM 0 HA LYS A 120 11.225 -2.819 6.204 1.00 0.57 H new ATOM 0 HB2 LYS A 120 11.868 -0.611 7.092 1.00 0.66 H new ATOM 0 HB3 LYS A 120 10.569 -0.675 8.266 1.00 0.66 H new ATOM 0 HG2 LYS A 120 11.636 -2.597 9.383 1.00 1.08 H new ATOM 0 HG3 LYS A 120 12.909 -2.615 8.179 1.00 1.08 H new ATOM 0 HD2 LYS A 120 13.580 -0.314 8.849 1.00 1.68 H new ATOM 0 HD3 LYS A 120 12.302 -0.288 10.048 1.00 1.68 H new ATOM 0 HE2 LYS A 120 14.577 -2.310 10.007 1.00 2.25 H new ATOM 0 HE3 LYS A 120 14.569 -0.852 10.979 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 13.840 -2.628 12.334 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 12.467 -1.685 12.004 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 12.705 -3.154 11.186 1.00 2.76 H new ATOM 1617 N GLU A 121 8.736 -2.770 8.394 1.00 0.56 N ATOM 1618 CA GLU A 121 7.940 -3.626 9.270 1.00 0.63 C ATOM 1619 C GLU A 121 7.096 -4.607 8.461 1.00 0.67 C ATOM 1620 O GLU A 121 6.856 -5.735 8.893 1.00 0.79 O ATOM 1621 CB GLU A 121 7.031 -2.791 10.172 1.00 0.71 C ATOM 1622 CG GLU A 121 6.068 -1.897 9.410 1.00 1.18 C ATOM 1623 CD GLU A 121 4.971 -1.346 10.289 1.00 1.87 C ATOM 1624 OE1 GLU A 121 3.809 -1.782 10.140 1.00 2.50 O ATOM 1625 OE2 GLU A 121 5.265 -0.489 11.147 1.00 2.57 O ATOM 0 H GLU A 121 8.458 -1.789 8.395 1.00 0.56 H new ATOM 0 HA GLU A 121 8.635 -4.190 9.892 1.00 0.63 H new ATOM 0 HB2 GLU A 121 6.460 -3.460 10.816 1.00 0.71 H new ATOM 0 HB3 GLU A 121 7.649 -2.173 10.823 1.00 0.71 H new ATOM 0 HG2 GLU A 121 6.621 -1.070 8.963 1.00 1.18 H new ATOM 0 HG3 GLU A 121 5.623 -2.462 8.591 1.00 1.18 H new ATOM 1632 N PHE A 122 6.650 -4.169 7.289 1.00 0.65 N ATOM 1633 CA PHE A 122 5.820 -4.996 6.428 1.00 0.76 C ATOM 1634 C PHE A 122 6.610 -6.191 5.911 1.00 0.78 C ATOM 1635 O PHE A 122 6.086 -7.300 5.808 1.00 0.89 O ATOM 1636 CB PHE A 122 5.291 -4.164 5.259 1.00 0.86 C ATOM 1637 CG PHE A 122 4.332 -4.902 4.375 1.00 1.36 C ATOM 1638 CD1 PHE A 122 4.703 -5.290 3.099 1.00 2.24 C ATOM 1639 CD2 PHE A 122 3.058 -5.210 4.824 1.00 1.98 C ATOM 1640 CE1 PHE A 122 3.820 -5.969 2.286 1.00 2.95 C ATOM 1641 CE2 PHE A 122 2.172 -5.889 4.014 1.00 2.74 C ATOM 1642 CZ PHE A 122 2.555 -6.270 2.744 1.00 3.02 C ATOM 0 H PHE A 122 6.852 -3.242 6.914 1.00 0.65 H new ATOM 0 HA PHE A 122 4.976 -5.368 7.009 1.00 0.76 H new ATOM 0 HB2 PHE A 122 4.798 -3.275 5.652 1.00 0.86 H new ATOM 0 HB3 PHE A 122 6.134 -3.821 4.659 1.00 0.86 H new ATOM 0 HD1 PHE A 122 5.694 -5.059 2.737 1.00 2.24 H new ATOM 0 HD2 PHE A 122 2.756 -4.915 5.818 1.00 1.98 H new ATOM 0 HE1 PHE A 122 4.119 -6.265 1.291 1.00 2.95 H new ATOM 0 HE2 PHE A 122 1.180 -6.122 4.373 1.00 2.74 H new ATOM 0 HZ PHE A 122 1.864 -6.804 2.109 1.00 3.02 H new ATOM 1652 N SER A 123 7.872 -5.952 5.591 1.00 0.72 N ATOM 1653 CA SER A 123 8.757 -7.006 5.135 1.00 0.79 C ATOM 1654 C SER A 123 9.187 -7.882 6.307 1.00 0.81 C ATOM 1655 O SER A 123 9.013 -9.104 6.268 1.00 1.02 O ATOM 1656 CB SER A 123 9.982 -6.392 4.455 1.00 0.82 C ATOM 1657 OG SER A 123 10.893 -7.389 4.022 1.00 1.40 O ATOM 0 H SER A 123 8.306 -5.030 5.640 1.00 0.72 H new ATOM 0 HA SER A 123 8.225 -7.630 4.416 1.00 0.79 H new ATOM 0 HB2 SER A 123 9.663 -5.794 3.601 1.00 0.82 H new ATOM 0 HB3 SER A 123 10.483 -5.716 5.148 1.00 0.82 H new ATOM 0 HG SER A 123 10.651 -7.684 3.119 1.00 1.40 H new ATOM 1663 N GLU A 124 9.730 -7.249 7.349 1.00 0.80 N ATOM 1664 CA GLU A 124 10.234 -7.963 8.517 1.00 1.00 C ATOM 1665 C GLU A 124 11.224 -9.042 8.074 1.00 1.48 C ATOM 1666 O GLU A 124 11.028 -10.235 8.313 1.00 2.09 O ATOM 1667 CB GLU A 124 9.069 -8.566 9.317 1.00 1.88 C ATOM 1668 CG GLU A 124 9.469 -9.103 10.682 1.00 2.61 C ATOM 1669 CD GLU A 124 8.297 -9.680 11.445 1.00 3.54 C ATOM 1670 OE1 GLU A 124 7.996 -10.878 11.263 1.00 4.12 O ATOM 1671 OE2 GLU A 124 7.677 -8.939 12.239 1.00 4.14 O ATOM 0 H GLU A 124 9.831 -6.236 7.404 1.00 0.80 H new ATOM 0 HA GLU A 124 10.758 -7.265 9.170 1.00 1.00 H new ATOM 0 HB2 GLU A 124 8.300 -7.805 9.448 1.00 1.88 H new ATOM 0 HB3 GLU A 124 8.623 -9.374 8.737 1.00 1.88 H new ATOM 0 HG2 GLU A 124 10.231 -9.872 10.557 1.00 2.61 H new ATOM 0 HG3 GLU A 124 9.919 -8.301 11.267 1.00 2.61 H new ATOM 1678 N GLU A 125 12.274 -8.606 7.390 1.00 2.33 N ATOM 1679 CA GLU A 125 13.271 -9.509 6.842 1.00 3.47 C ATOM 1680 C GLU A 125 14.654 -8.881 6.944 1.00 4.34 C ATOM 1681 O GLU A 125 14.957 -7.981 6.132 1.00 4.92 O ATOM 1682 CB GLU A 125 12.951 -9.827 5.379 1.00 4.25 C ATOM 1683 CG GLU A 125 13.890 -10.847 4.756 1.00 4.82 C ATOM 1684 CD GLU A 125 13.753 -10.914 3.250 1.00 5.68 C ATOM 1685 OE1 GLU A 125 12.787 -11.535 2.761 1.00 6.29 O ATOM 1686 OE2 GLU A 125 14.616 -10.347 2.547 1.00 6.07 O ATOM 1687 OXT GLU A 125 15.432 -9.285 7.831 1.00 4.84 O ATOM 0 H GLU A 125 12.456 -7.620 7.201 1.00 2.33 H new ATOM 0 HA GLU A 125 13.256 -10.436 7.415 1.00 3.47 H new ATOM 0 HB2 GLU A 125 11.929 -10.199 5.313 1.00 4.25 H new ATOM 0 HB3 GLU A 125 12.993 -8.905 4.798 1.00 4.25 H new ATOM 0 HG2 GLU A 125 14.919 -10.595 5.014 1.00 4.82 H new ATOM 0 HG3 GLU A 125 13.687 -11.830 5.181 1.00 4.82 H new TER 1694 GLU A 125