USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 582 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 187 CYS SG : rot 160:sc= -0.0546 USER MOD Set 1.2: A 204 HIS : no HD1:sc= -1.84 K(o=-0.82,f=-2) USER MOD Set 1.3: A 207 HIS : no HE2:sc= 1.08 K(o=-0.82,f=-9.8!) USER MOD Set 2.1: A 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 175 CYS SG : rot 155:sc= 0.178 USER MOD Set 3.2: A 178 HIS : no HD1:sc= -1.29 K(o=-0.19,f=0.76) USER MOD Set 3.3: A 195 CYS SG : rot 180:sc= 0.344 USER MOD Set 3.4: A 198 CYS SG : rot 82:sc= 0.577 USER MOD Set 4.1: A 134 CYS SG : rot 41:sc= 1.05 USER MOD Set 4.2: A 137 CYS SG : rot 180:sc= 0 USER MOD Set 4.3: A 149 THR OG1 : rot 180:sc= 0 USER MOD Set 4.4: A 150 HIS : no HD1:sc= -2.05 K(o=-0.43,f=-2.9) USER MOD Set 4.5: A 159 HIS : no HE2:sc= 0.573 K(o=-0.43,f=-9.3!) USER MOD Set 5.1: A 133 THR OG1 : rot -103:sc= 0.0244 USER MOD Set 5.2: A 140 SER OG : rot -119:sc= 0.42 USER MOD Set 6.1: A 119 CYS SG : rot -158:sc= 0.128 USER MOD Set 6.2: A 122 CYS SG : rot 36:sc= 0.407 USER MOD Set 6.3: A 142 CYS SG : rot -137:sc= -0.218 USER MOD Set 6.4: A 145 CYS SG : rot -151:sc= 0.863 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 128 GLN : amide:sc= -0.0844 K(o=-0.084,f=-1.6!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot -150:sc= 0.0578 USER MOD Single : A 141 TYR OH : rot -76:sc= 3.51 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 MET CE :methyl -155:sc= -0.185 (180deg=-0.886) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.1!) USER MOD Single : A 186 TYR OH : rot 141:sc= 0.256 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -2.9 K(o=-2.9,f=-1.9) USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 26 N LYS A 116 1.315 3.010 -5.021 1.00 34.22 N ATOM 27 CA LYS A 116 2.174 3.219 -6.180 1.00 23.12 C ATOM 28 C LYS A 116 1.408 3.898 -7.310 1.00 51.41 C ATOM 29 O LYS A 116 0.177 3.878 -7.339 1.00 64.35 O ATOM 30 CB LYS A 116 2.744 1.884 -6.666 1.00 14.02 C ATOM 31 CG LYS A 116 3.746 1.265 -5.707 1.00 40.20 C ATOM 32 CD LYS A 116 3.928 -0.220 -5.973 1.00 3.33 C ATOM 33 CE LYS A 116 5.157 -0.766 -5.263 1.00 25.22 C ATOM 34 NZ LYS A 116 4.802 -1.814 -4.266 1.00 64.55 N ATOM 0 HA LYS A 116 2.995 3.870 -5.879 1.00 23.12 H new ATOM 0 HB2 LYS A 116 1.923 1.184 -6.823 1.00 14.02 H new ATOM 0 HB3 LYS A 116 3.224 2.034 -7.633 1.00 14.02 H new ATOM 0 HG2 LYS A 116 4.705 1.773 -5.804 1.00 40.20 H new ATOM 0 HG3 LYS A 116 3.409 1.413 -4.681 1.00 40.20 H new ATOM 0 HD2 LYS A 116 3.043 -0.762 -5.639 1.00 3.33 H new ATOM 0 HD3 LYS A 116 4.020 -0.390 -7.046 1.00 3.33 H new ATOM 0 HE2 LYS A 116 5.846 -1.182 -5.998 1.00 25.22 H new ATOM 0 HE3 LYS A 116 5.679 0.049 -4.763 1.00 25.22 H new ATOM 0 HZ1 LYS A 116 5.667 -2.161 -3.804 1.00 64.55 H new ATOM 0 HZ2 LYS A 116 4.165 -1.410 -3.550 1.00 64.55 H new ATOM 0 HZ3 LYS A 116 4.326 -2.604 -4.747 1.00 64.55 H new ATOM 48 N VAL A 117 2.143 4.499 -8.240 1.00 45.22 N ATOM 49 CA VAL A 117 1.533 5.183 -9.374 1.00 71.42 C ATOM 50 C VAL A 117 1.206 4.203 -10.495 1.00 75.42 C ATOM 51 O VAL A 117 1.996 3.310 -10.805 1.00 51.12 O ATOM 52 CB VAL A 117 2.454 6.287 -9.926 1.00 14.43 C ATOM 53 CG1 VAL A 117 3.803 5.709 -10.323 1.00 4.14 C ATOM 54 CG2 VAL A 117 1.797 6.988 -11.106 1.00 31.05 C ATOM 0 H VAL A 117 3.163 4.526 -8.230 1.00 45.22 H new ATOM 0 HA VAL A 117 0.611 5.637 -9.011 1.00 71.42 H new ATOM 0 HB VAL A 117 2.619 7.024 -9.140 1.00 14.43 H new ATOM 0 HG11 VAL A 117 4.440 6.504 -10.711 1.00 4.14 H new ATOM 0 HG12 VAL A 117 4.276 5.258 -9.451 1.00 4.14 H new ATOM 0 HG13 VAL A 117 3.661 4.950 -11.092 1.00 4.14 H new ATOM 0 HG21 VAL A 117 2.462 7.765 -11.484 1.00 31.05 H new ATOM 0 HG22 VAL A 117 1.600 6.263 -11.896 1.00 31.05 H new ATOM 0 HG23 VAL A 117 0.858 7.438 -10.785 1.00 31.05 H new ATOM 64 N LEU A 118 0.036 4.374 -11.101 1.00 13.43 N ATOM 65 CA LEU A 118 -0.397 3.505 -12.189 1.00 54.12 C ATOM 66 C LEU A 118 0.067 4.048 -13.537 1.00 71.30 C ATOM 67 O LEU A 118 0.084 5.263 -13.723 1.00 52.42 O ATOM 68 CB LEU A 118 -1.921 3.364 -12.181 1.00 4.44 C ATOM 69 CG LEU A 118 -2.503 2.436 -11.114 1.00 62.34 C ATOM 70 CD1 LEU A 118 -3.701 3.084 -10.438 1.00 44.30 C ATOM 71 CD2 LEU A 118 -2.893 1.099 -11.727 1.00 73.33 C ATOM 0 H LEU A 118 -0.630 5.107 -10.857 1.00 13.43 H new ATOM 0 HA LEU A 118 0.053 2.524 -12.038 1.00 54.12 H new ATOM 0 HB2 LEU A 118 -2.357 4.354 -12.050 1.00 4.44 H new ATOM 0 HB3 LEU A 118 -2.238 3.003 -13.160 1.00 4.44 H new ATOM 0 HG LEU A 118 -1.738 2.258 -10.358 1.00 62.34 H new ATOM 0 HD11 LEU A 118 -4.101 2.409 -9.682 1.00 44.30 H new ATOM 0 HD12 LEU A 118 -3.392 4.016 -9.965 1.00 44.30 H new ATOM 0 HD13 LEU A 118 -4.470 3.293 -11.182 1.00 44.30 H new ATOM 0 HD21 LEU A 118 -3.305 0.451 -10.954 1.00 73.33 H new ATOM 0 HD22 LEU A 118 -3.641 1.259 -12.503 1.00 73.33 H new ATOM 0 HD23 LEU A 118 -2.012 0.628 -12.164 1.00 73.33 H new ATOM 83 N CYS A 119 0.428 3.145 -14.438 1.00 14.42 N ATOM 84 CA CYS A 119 0.885 3.547 -15.757 1.00 71.43 C ATOM 85 C CYS A 119 -0.191 4.430 -16.391 1.00 14.44 C ATOM 86 O CYS A 119 -1.240 3.963 -16.833 1.00 55.41 O ATOM 87 CB CYS A 119 1.218 2.337 -16.633 1.00 32.33 C ATOM 88 SG CYS A 119 2.029 2.887 -18.178 1.00 73.33 S ATOM 0 H CYS A 119 0.413 2.137 -14.280 1.00 14.42 H new ATOM 0 HA CYS A 119 1.811 4.114 -15.666 1.00 71.43 H new ATOM 0 HB2 CYS A 119 1.873 1.655 -16.091 1.00 32.33 H new ATOM 0 HB3 CYS A 119 0.307 1.785 -16.867 1.00 32.33 H new ATOM 0 HG CYS A 119 1.893 1.970 -19.089 1.00 73.33 H new ATOM 93 N GLN A 120 0.095 5.728 -16.424 1.00 20.12 N ATOM 94 CA GLN A 120 -0.830 6.700 -16.995 1.00 61.52 C ATOM 95 C GLN A 120 -1.010 6.465 -18.491 1.00 41.25 C ATOM 96 O GLN A 120 -2.029 6.842 -19.071 1.00 63.22 O ATOM 97 CB GLN A 120 -0.326 8.122 -16.747 1.00 10.23 C ATOM 98 CG GLN A 120 -1.432 9.108 -16.406 1.00 44.41 C ATOM 99 CD GLN A 120 -0.978 10.551 -16.506 1.00 4.42 C ATOM 100 OE1 GLN A 120 -0.445 10.977 -17.531 1.00 2.30 O ATOM 101 NE2 GLN A 120 -1.187 11.313 -15.438 1.00 43.14 N ATOM 0 H GLN A 120 0.960 6.130 -16.062 1.00 20.12 H new ATOM 0 HA GLN A 120 -1.797 6.575 -16.507 1.00 61.52 H new ATOM 0 HB2 GLN A 120 0.398 8.105 -15.933 1.00 10.23 H new ATOM 0 HB3 GLN A 120 0.201 8.472 -17.635 1.00 10.23 H new ATOM 0 HG2 GLN A 120 -2.275 8.949 -17.078 1.00 44.41 H new ATOM 0 HG3 GLN A 120 -1.789 8.913 -15.395 1.00 44.41 H new ATOM 0 HE21 GLN A 120 -1.632 10.919 -14.609 1.00 43.14 H new ATOM 0 HE22 GLN A 120 -0.902 12.292 -15.447 1.00 43.14 H new ATOM 110 N PHE A 121 -0.014 5.841 -19.112 1.00 2.44 N ATOM 111 CA PHE A 121 -0.062 5.558 -20.541 1.00 65.13 C ATOM 112 C PHE A 121 -0.448 4.104 -20.795 1.00 22.31 C ATOM 113 O PHE A 121 0.107 3.481 -21.699 1.00 51.54 O ATOM 114 CB PHE A 121 1.292 5.858 -21.188 1.00 25.13 C ATOM 115 CG PHE A 121 1.445 7.287 -21.625 1.00 33.14 C ATOM 116 CD1 PHE A 121 0.984 8.322 -20.827 1.00 23.13 C ATOM 117 CD2 PHE A 121 2.049 7.595 -22.833 1.00 13.21 C ATOM 118 CE1 PHE A 121 1.122 9.637 -21.227 1.00 4.51 C ATOM 119 CE2 PHE A 121 2.190 8.909 -23.238 1.00 40.12 C ATOM 120 CZ PHE A 121 1.727 9.932 -22.433 1.00 61.54 C ATOM 0 H PHE A 121 0.836 5.522 -18.647 1.00 2.44 H new ATOM 0 HA PHE A 121 -0.821 6.201 -20.988 1.00 65.13 H new ATOM 0 HB2 PHE A 121 2.085 5.616 -20.481 1.00 25.13 H new ATOM 0 HB3 PHE A 121 1.425 5.206 -22.051 1.00 25.13 H new ATOM 0 HD1 PHE A 121 0.512 8.098 -19.882 1.00 23.13 H new ATOM 0 HD2 PHE A 121 2.414 6.799 -23.466 1.00 13.21 H new ATOM 0 HE1 PHE A 121 0.757 10.434 -20.597 1.00 4.51 H new ATOM 0 HE2 PHE A 121 2.662 9.136 -24.183 1.00 40.12 H new ATOM 0 HZ PHE A 121 1.838 10.960 -22.746 1.00 61.54 H new ATOM 130 N CYS A 122 -1.380 3.600 -19.999 1.00 62.22 N ATOM 131 CA CYS A 122 -1.827 2.225 -20.147 1.00 42.22 C ATOM 132 C CYS A 122 -3.300 2.241 -20.560 1.00 20.00 C ATOM 133 O CYS A 122 -4.093 3.071 -20.116 1.00 52.31 O ATOM 134 CB CYS A 122 -1.601 1.416 -18.868 1.00 50.23 C ATOM 135 SG CYS A 122 -0.403 0.069 -19.183 1.00 41.32 S ATOM 0 H CYS A 122 -1.838 4.119 -19.250 1.00 62.22 H new ATOM 0 HA CYS A 122 -1.239 1.730 -20.920 1.00 42.22 H new ATOM 0 HB2 CYS A 122 -1.229 2.067 -18.077 1.00 50.23 H new ATOM 0 HB3 CYS A 122 -2.546 0.999 -18.520 1.00 50.23 H new ATOM 0 HG CYS A 122 0.502 0.481 -20.020 1.00 41.32 H new ATOM 140 N ASP A 123 -3.650 1.297 -21.426 1.00 74.23 N ATOM 141 CA ASP A 123 -5.019 1.178 -21.916 1.00 41.41 C ATOM 142 C ASP A 123 -5.520 -0.256 -21.786 1.00 33.51 C ATOM 143 O ASP A 123 -6.170 -0.781 -22.690 1.00 11.30 O ATOM 144 CB ASP A 123 -5.102 1.630 -23.375 1.00 10.42 C ATOM 145 CG ASP A 123 -6.521 1.951 -23.802 1.00 30.14 C ATOM 146 OD1 ASP A 123 -7.373 2.168 -22.914 1.00 51.25 O ATOM 147 OD2 ASP A 123 -6.779 1.985 -25.023 1.00 14.43 O ATOM 0 H ASP A 123 -3.005 0.603 -21.804 1.00 74.23 H new ATOM 0 HA ASP A 123 -5.654 1.822 -21.307 1.00 41.41 H new ATOM 0 HB2 ASP A 123 -4.475 2.511 -23.516 1.00 10.42 H new ATOM 0 HB3 ASP A 123 -4.700 0.847 -24.018 1.00 10.42 H new ATOM 152 N GLN A 124 -5.213 -0.885 -20.656 1.00 63.20 N ATOM 153 CA GLN A 124 -5.631 -2.260 -20.409 1.00 70.12 C ATOM 154 C GLN A 124 -7.022 -2.302 -19.785 1.00 71.24 C ATOM 155 O GLN A 124 -7.900 -3.028 -20.252 1.00 15.12 O ATOM 156 CB GLN A 124 -4.627 -2.964 -19.494 1.00 74.35 C ATOM 157 CG GLN A 124 -3.495 -3.647 -20.245 1.00 12.12 C ATOM 158 CD GLN A 124 -2.541 -4.379 -19.322 1.00 34.22 C ATOM 159 OE1 GLN A 124 -2.007 -3.800 -18.376 1.00 3.40 O ATOM 160 NE2 GLN A 124 -2.323 -5.661 -19.592 1.00 3.13 N ATOM 0 H GLN A 124 -4.676 -0.464 -19.897 1.00 63.20 H new ATOM 0 HA GLN A 124 -5.666 -2.780 -21.366 1.00 70.12 H new ATOM 0 HB2 GLN A 124 -4.205 -2.235 -18.802 1.00 74.35 H new ATOM 0 HB3 GLN A 124 -5.153 -3.706 -18.893 1.00 74.35 H new ATOM 0 HG2 GLN A 124 -3.914 -4.353 -20.962 1.00 12.12 H new ATOM 0 HG3 GLN A 124 -2.942 -2.902 -20.817 1.00 12.12 H new ATOM 0 HE21 GLN A 124 -2.787 -6.101 -20.387 1.00 3.13 H new ATOM 0 HE22 GLN A 124 -1.692 -6.206 -19.005 1.00 3.13 H new ATOM 169 N ASP A 125 -7.215 -1.520 -18.729 1.00 31.41 N ATOM 170 CA ASP A 125 -8.500 -1.468 -18.041 1.00 40.32 C ATOM 171 C ASP A 125 -8.898 -2.848 -17.526 1.00 43.44 C ATOM 172 O ASP A 125 -9.589 -3.613 -18.199 1.00 44.24 O ATOM 173 CB ASP A 125 -9.582 -0.928 -18.978 1.00 10.34 C ATOM 174 CG ASP A 125 -10.702 -0.234 -18.228 1.00 55.23 C ATOM 175 OD1 ASP A 125 -10.478 0.892 -17.736 1.00 75.41 O ATOM 176 OD2 ASP A 125 -11.803 -0.816 -18.133 1.00 72.54 O ATOM 0 H ASP A 125 -6.498 -0.913 -18.331 1.00 31.41 H new ATOM 0 HA ASP A 125 -8.400 -0.797 -17.188 1.00 40.32 H new ATOM 0 HB2 ASP A 125 -9.132 -0.229 -19.683 1.00 10.34 H new ATOM 0 HB3 ASP A 125 -9.995 -1.749 -19.564 1.00 10.34 H new ATOM 181 N PRO A 126 -8.451 -3.175 -16.305 1.00 33.03 N ATOM 182 CA PRO A 126 -7.628 -2.273 -15.495 1.00 2.54 C ATOM 183 C PRO A 126 -6.225 -2.097 -16.067 1.00 54.31 C ATOM 184 O PRO A 126 -5.752 -2.928 -16.841 1.00 53.15 O ATOM 185 CB PRO A 126 -7.566 -2.973 -14.135 1.00 14.11 C ATOM 186 CG PRO A 126 -7.783 -4.415 -14.441 1.00 51.43 C ATOM 187 CD PRO A 126 -8.716 -4.452 -15.620 1.00 44.23 C ATOM 0 HA PRO A 126 -8.047 -1.267 -15.454 1.00 2.54 H new ATOM 0 HB2 PRO A 126 -6.603 -2.812 -13.650 1.00 14.11 H new ATOM 0 HB3 PRO A 126 -8.331 -2.592 -13.459 1.00 14.11 H new ATOM 0 HG2 PRO A 126 -6.841 -4.911 -14.673 1.00 51.43 H new ATOM 0 HG3 PRO A 126 -8.214 -4.935 -13.586 1.00 51.43 H new ATOM 0 HD2 PRO A 126 -8.512 -5.305 -16.267 1.00 44.23 H new ATOM 0 HD3 PRO A 126 -9.757 -4.531 -15.306 1.00 44.23 H new ATOM 195 N ALA A 127 -5.565 -1.010 -15.681 1.00 15.14 N ATOM 196 CA ALA A 127 -4.216 -0.727 -16.154 1.00 11.13 C ATOM 197 C ALA A 127 -3.171 -1.233 -15.166 1.00 24.31 C ATOM 198 O ALA A 127 -3.480 -1.504 -14.006 1.00 70.10 O ATOM 199 CB ALA A 127 -4.042 0.766 -16.390 1.00 51.03 C ATOM 0 H ALA A 127 -5.943 -0.311 -15.042 1.00 15.14 H new ATOM 0 HA ALA A 127 -4.071 -1.252 -17.098 1.00 11.13 H new ATOM 0 HB1 ALA A 127 -3.030 0.963 -16.743 1.00 51.03 H new ATOM 0 HB2 ALA A 127 -4.759 1.102 -17.139 1.00 51.03 H new ATOM 0 HB3 ALA A 127 -4.212 1.304 -15.457 1.00 51.03 H new ATOM 205 N GLN A 128 -1.933 -1.359 -15.634 1.00 20.10 N ATOM 206 CA GLN A 128 -0.843 -1.835 -14.791 1.00 4.32 C ATOM 207 C GLN A 128 -0.128 -0.669 -14.115 1.00 54.33 C ATOM 208 O GLN A 128 -0.479 0.493 -14.326 1.00 64.41 O ATOM 209 CB GLN A 128 0.154 -2.647 -15.620 1.00 32.45 C ATOM 210 CG GLN A 128 0.576 -3.949 -14.958 1.00 25.12 C ATOM 211 CD GLN A 128 1.970 -4.385 -15.366 1.00 32.54 C ATOM 212 OE1 GLN A 128 2.578 -3.802 -16.264 1.00 33.05 O ATOM 213 NE2 GLN A 128 2.484 -5.417 -14.706 1.00 41.11 N ATOM 0 H GLN A 128 -1.660 -1.138 -16.592 1.00 20.10 H new ATOM 0 HA GLN A 128 -1.269 -2.475 -14.018 1.00 4.32 H new ATOM 0 HB2 GLN A 128 -0.289 -2.869 -16.591 1.00 32.45 H new ATOM 0 HB3 GLN A 128 1.040 -2.039 -15.806 1.00 32.45 H new ATOM 0 HG2 GLN A 128 0.539 -3.831 -13.875 1.00 25.12 H new ATOM 0 HG3 GLN A 128 -0.136 -4.732 -15.218 1.00 25.12 H new ATOM 0 HE21 GLN A 128 1.945 -5.871 -13.969 1.00 41.11 H new ATOM 0 HE22 GLN A 128 3.418 -5.756 -14.937 1.00 41.11 H new ATOM 222 N ASP A 129 0.873 -0.986 -13.303 1.00 4.14 N ATOM 223 CA ASP A 129 1.638 0.036 -12.596 1.00 73.42 C ATOM 224 C ASP A 129 3.003 0.239 -13.246 1.00 13.31 C ATOM 225 O ASP A 129 3.522 -0.654 -13.914 1.00 45.32 O ATOM 226 CB ASP A 129 1.811 -0.352 -11.127 1.00 1.02 C ATOM 227 CG ASP A 129 2.140 -1.821 -10.951 1.00 23.34 C ATOM 228 OD1 ASP A 129 1.204 -2.647 -10.979 1.00 73.23 O ATOM 229 OD2 ASP A 129 3.335 -2.146 -10.785 1.00 13.52 O ATOM 0 H ASP A 129 1.175 -1.942 -13.117 1.00 4.14 H new ATOM 0 HA ASP A 129 1.085 0.974 -12.653 1.00 73.42 H new ATOM 0 HB2 ASP A 129 2.605 0.250 -10.686 1.00 1.02 H new ATOM 0 HB3 ASP A 129 0.896 -0.120 -10.583 1.00 1.02 H new ATOM 234 N ALA A 130 3.577 1.421 -13.046 1.00 23.14 N ATOM 235 CA ALA A 130 4.882 1.742 -13.611 1.00 71.50 C ATOM 236 C ALA A 130 6.008 1.226 -12.721 1.00 73.21 C ATOM 237 O ALA A 130 6.124 1.618 -11.560 1.00 20.11 O ATOM 238 CB ALA A 130 5.014 3.244 -13.815 1.00 71.52 C ATOM 0 H ALA A 130 3.159 2.172 -12.497 1.00 23.14 H new ATOM 0 HA ALA A 130 4.963 1.247 -14.578 1.00 71.50 H new ATOM 0 HB1 ALA A 130 5.993 3.469 -14.237 1.00 71.52 H new ATOM 0 HB2 ALA A 130 4.237 3.588 -14.497 1.00 71.52 H new ATOM 0 HB3 ALA A 130 4.907 3.752 -12.857 1.00 71.52 H new ATOM 244 N VAL A 131 6.835 0.344 -13.273 1.00 20.53 N ATOM 245 CA VAL A 131 7.952 -0.226 -12.529 1.00 2.13 C ATOM 246 C VAL A 131 9.286 0.278 -13.069 1.00 31.20 C ATOM 247 O VAL A 131 10.264 0.395 -12.330 1.00 74.00 O ATOM 248 CB VAL A 131 7.937 -1.765 -12.584 1.00 31.12 C ATOM 249 CG1 VAL A 131 6.694 -2.312 -11.898 1.00 2.33 C ATOM 250 CG2 VAL A 131 8.016 -2.247 -14.024 1.00 61.05 C ATOM 0 H VAL A 131 6.753 0.009 -14.233 1.00 20.53 H new ATOM 0 HA VAL A 131 7.838 0.094 -11.493 1.00 2.13 H new ATOM 0 HB VAL A 131 8.811 -2.139 -12.051 1.00 31.12 H new ATOM 0 HG11 VAL A 131 6.701 -3.401 -11.947 1.00 2.33 H new ATOM 0 HG12 VAL A 131 6.685 -1.996 -10.855 1.00 2.33 H new ATOM 0 HG13 VAL A 131 5.804 -1.932 -12.400 1.00 2.33 H new ATOM 0 HG21 VAL A 131 8.004 -3.337 -14.044 1.00 61.05 H new ATOM 0 HG22 VAL A 131 7.162 -1.865 -14.583 1.00 61.05 H new ATOM 0 HG23 VAL A 131 8.938 -1.886 -14.479 1.00 61.05 H new ATOM 260 N LYS A 132 9.319 0.575 -14.363 1.00 40.45 N ATOM 261 CA LYS A 132 10.532 1.069 -15.005 1.00 30.12 C ATOM 262 C LYS A 132 10.433 2.567 -15.276 1.00 24.31 C ATOM 263 O LYS A 132 9.351 3.151 -15.208 1.00 44.02 O ATOM 264 CB LYS A 132 10.783 0.318 -16.315 1.00 14.24 C ATOM 265 CG LYS A 132 11.648 -0.919 -16.150 1.00 73.44 C ATOM 266 CD LYS A 132 11.979 -1.550 -17.492 1.00 72.44 C ATOM 267 CE LYS A 132 13.055 -2.617 -17.357 1.00 33.05 C ATOM 268 NZ LYS A 132 14.091 -2.498 -18.419 1.00 3.31 N ATOM 0 H LYS A 132 8.519 0.482 -14.989 1.00 40.45 H new ATOM 0 HA LYS A 132 11.368 0.895 -14.328 1.00 30.12 H new ATOM 0 HB2 LYS A 132 9.825 0.027 -16.746 1.00 14.24 H new ATOM 0 HB3 LYS A 132 11.260 0.993 -17.025 1.00 14.24 H new ATOM 0 HG2 LYS A 132 12.571 -0.653 -15.634 1.00 73.44 H new ATOM 0 HG3 LYS A 132 11.131 -1.645 -15.523 1.00 73.44 H new ATOM 0 HD2 LYS A 132 11.079 -1.992 -17.919 1.00 72.44 H new ATOM 0 HD3 LYS A 132 12.315 -0.779 -18.185 1.00 72.44 H new ATOM 0 HE2 LYS A 132 13.527 -2.534 -16.378 1.00 33.05 H new ATOM 0 HE3 LYS A 132 12.596 -3.604 -17.407 1.00 33.05 H new ATOM 0 HZ1 LYS A 132 14.806 -3.243 -18.292 1.00 3.31 H new ATOM 0 HZ2 LYS A 132 13.645 -2.602 -19.353 1.00 3.31 H new ATOM 0 HZ3 LYS A 132 14.548 -1.566 -18.356 1.00 3.31 H new ATOM 282 N THR A 133 11.570 3.184 -15.585 1.00 33.13 N ATOM 283 CA THR A 133 11.611 4.613 -15.866 1.00 41.25 C ATOM 284 C THR A 133 12.783 4.960 -16.778 1.00 11.34 C ATOM 285 O THR A 133 13.908 4.553 -16.492 1.00 70.04 O ATOM 286 CB THR A 133 11.721 5.438 -14.570 1.00 42.34 C ATOM 287 OG1 THR A 133 10.931 4.838 -13.539 1.00 32.44 O ATOM 288 CG2 THR A 133 11.261 6.870 -14.800 1.00 5.12 C ATOM 0 H THR A 133 12.474 2.716 -15.647 1.00 33.13 H new ATOM 0 HA THR A 133 10.677 4.864 -16.368 1.00 41.25 H new ATOM 0 HB THR A 133 12.767 5.454 -14.263 1.00 42.34 H new ATOM 0 HG1 THR A 133 10.102 5.347 -13.424 1.00 32.44 H new ATOM 0 HG21 THR A 133 11.348 7.434 -13.871 1.00 5.12 H new ATOM 0 HG22 THR A 133 11.884 7.334 -15.565 1.00 5.12 H new ATOM 0 HG23 THR A 133 10.222 6.870 -15.129 1.00 5.12 H new ATOM 296 N CYS A 134 12.499 5.697 -17.841 1.00 51.24 N ATOM 297 CA CYS A 134 13.537 6.089 -18.779 1.00 62.03 C ATOM 298 C CYS A 134 13.888 7.556 -18.522 1.00 63.20 C ATOM 299 O CYS A 134 13.038 8.445 -18.548 1.00 15.22 O ATOM 300 CB CYS A 134 13.110 5.850 -20.229 1.00 13.22 C ATOM 301 SG CYS A 134 14.412 6.441 -21.371 1.00 21.32 S ATOM 0 H CYS A 134 11.565 6.033 -18.074 1.00 51.24 H new ATOM 0 HA CYS A 134 14.422 5.472 -18.624 1.00 62.03 H new ATOM 0 HB2 CYS A 134 12.926 4.788 -20.392 1.00 13.22 H new ATOM 0 HB3 CYS A 134 12.174 6.370 -20.431 1.00 13.22 H new ATOM 0 HG CYS A 134 15.581 6.126 -20.897 1.00 21.32 H new ATOM 306 N VAL A 135 15.172 7.790 -18.271 1.00 44.41 N ATOM 307 CA VAL A 135 15.666 9.137 -18.007 1.00 22.41 C ATOM 308 C VAL A 135 15.656 9.984 -19.274 1.00 53.30 C ATOM 309 O VAL A 135 15.348 11.176 -19.235 1.00 51.12 O ATOM 310 CB VAL A 135 17.095 9.108 -17.433 1.00 64.35 C ATOM 311 CG1 VAL A 135 17.112 8.422 -16.076 1.00 25.30 C ATOM 312 CG2 VAL A 135 18.044 8.416 -18.401 1.00 55.35 C ATOM 0 H VAL A 135 15.889 7.065 -18.245 1.00 44.41 H new ATOM 0 HA VAL A 135 14.996 9.582 -17.271 1.00 22.41 H new ATOM 0 HB VAL A 135 17.434 10.135 -17.298 1.00 64.35 H new ATOM 0 HG11 VAL A 135 18.130 8.411 -15.687 1.00 25.30 H new ATOM 0 HG12 VAL A 135 16.465 8.964 -15.386 1.00 25.30 H new ATOM 0 HG13 VAL A 135 16.753 7.398 -16.181 1.00 25.30 H new ATOM 0 HG21 VAL A 135 19.049 8.405 -17.979 1.00 55.35 H new ATOM 0 HG22 VAL A 135 17.709 7.392 -18.569 1.00 55.35 H new ATOM 0 HG23 VAL A 135 18.054 8.955 -19.348 1.00 55.35 H new ATOM 322 N THR A 136 15.994 9.362 -20.399 1.00 20.41 N ATOM 323 CA THR A 136 16.024 10.058 -21.679 1.00 5.33 C ATOM 324 C THR A 136 14.621 10.451 -22.125 1.00 34.43 C ATOM 325 O THR A 136 14.482 11.349 -22.953 1.00 55.20 O ATOM 326 CB THR A 136 16.676 9.193 -22.774 1.00 12.00 C ATOM 327 OG1 THR A 136 17.618 8.288 -22.188 1.00 5.52 O ATOM 328 CG2 THR A 136 17.375 10.064 -23.807 1.00 24.32 C ATOM 0 H THR A 136 16.251 8.376 -20.449 1.00 20.41 H new ATOM 0 HA THR A 136 16.621 10.958 -21.535 1.00 5.33 H new ATOM 0 HB THR A 136 15.891 8.625 -23.273 1.00 12.00 H new ATOM 0 HG1 THR A 136 18.335 8.101 -22.830 1.00 5.52 H new ATOM 0 HG21 THR A 136 17.828 9.431 -24.570 1.00 24.32 H new ATOM 0 HG22 THR A 136 16.649 10.730 -24.272 1.00 24.32 H new ATOM 0 HG23 THR A 136 18.150 10.656 -23.320 1.00 24.32 H new ATOM 336 N CYS A 137 13.622 9.778 -21.573 1.00 34.53 N ATOM 337 CA CYS A 137 12.241 10.067 -21.922 1.00 62.31 C ATOM 338 C CYS A 137 11.675 11.036 -20.882 1.00 63.32 C ATOM 339 O CYS A 137 10.713 11.763 -21.125 1.00 44.53 O ATOM 340 CB CYS A 137 11.405 8.790 -22.027 1.00 71.31 C ATOM 341 SG CYS A 137 11.725 7.962 -23.627 1.00 72.24 S ATOM 0 H CYS A 137 13.741 9.033 -20.886 1.00 34.53 H new ATOM 0 HA CYS A 137 12.202 10.530 -22.908 1.00 62.31 H new ATOM 0 HB2 CYS A 137 11.649 8.117 -21.205 1.00 71.31 H new ATOM 0 HB3 CYS A 137 10.346 9.031 -21.938 1.00 71.31 H new ATOM 0 HG CYS A 137 11.012 6.878 -23.705 1.00 72.24 H new ATOM 346 N GLU A 138 12.300 11.028 -19.708 1.00 74.25 N ATOM 347 CA GLU A 138 11.878 11.894 -18.614 1.00 43.41 C ATOM 348 C GLU A 138 10.471 11.535 -18.147 1.00 14.51 C ATOM 349 O GLU A 138 9.697 12.405 -17.745 1.00 70.04 O ATOM 350 CB GLU A 138 11.925 13.361 -19.048 1.00 70.23 C ATOM 351 CG GLU A 138 12.391 14.305 -17.953 1.00 41.31 C ATOM 352 CD GLU A 138 12.407 15.754 -18.400 1.00 15.31 C ATOM 353 OE1 GLU A 138 11.609 16.109 -19.292 1.00 53.15 O ATOM 354 OE2 GLU A 138 13.217 16.534 -17.856 1.00 60.50 O ATOM 0 H GLU A 138 13.099 10.432 -19.491 1.00 74.25 H new ATOM 0 HA GLU A 138 12.566 11.747 -17.782 1.00 43.41 H new ATOM 0 HB2 GLU A 138 12.591 13.456 -19.906 1.00 70.23 H new ATOM 0 HB3 GLU A 138 10.932 13.665 -19.380 1.00 70.23 H new ATOM 0 HG2 GLU A 138 11.736 14.203 -17.087 1.00 41.31 H new ATOM 0 HG3 GLU A 138 13.392 14.017 -17.631 1.00 41.31 H new ATOM 361 N VAL A 139 10.145 10.248 -18.203 1.00 60.10 N ATOM 362 CA VAL A 139 8.831 9.773 -17.786 1.00 24.44 C ATOM 363 C VAL A 139 8.907 8.346 -17.254 1.00 33.21 C ATOM 364 O VAL A 139 9.727 7.546 -17.706 1.00 14.54 O ATOM 365 CB VAL A 139 7.821 9.823 -18.947 1.00 41.21 C ATOM 366 CG1 VAL A 139 6.440 9.397 -18.473 1.00 22.41 C ATOM 367 CG2 VAL A 139 7.778 11.217 -19.555 1.00 1.12 C ATOM 0 H VAL A 139 10.773 9.515 -18.533 1.00 60.10 H new ATOM 0 HA VAL A 139 8.492 10.437 -16.991 1.00 24.44 H new ATOM 0 HB VAL A 139 8.145 9.124 -19.718 1.00 41.21 H new ATOM 0 HG11 VAL A 139 5.740 9.439 -19.307 1.00 22.41 H new ATOM 0 HG12 VAL A 139 6.486 8.378 -18.088 1.00 22.41 H new ATOM 0 HG13 VAL A 139 6.103 10.068 -17.683 1.00 22.41 H new ATOM 0 HG21 VAL A 139 7.059 11.235 -20.374 1.00 1.12 H new ATOM 0 HG22 VAL A 139 7.478 11.937 -18.794 1.00 1.12 H new ATOM 0 HG23 VAL A 139 8.766 11.479 -19.934 1.00 1.12 H new ATOM 377 N SER A 140 8.045 8.033 -16.291 1.00 60.55 N ATOM 378 CA SER A 140 8.016 6.702 -15.695 1.00 53.20 C ATOM 379 C SER A 140 6.798 5.918 -16.175 1.00 12.41 C ATOM 380 O SER A 140 5.660 6.364 -16.024 1.00 50.13 O ATOM 381 CB SER A 140 8.001 6.805 -14.169 1.00 23.33 C ATOM 382 OG SER A 140 8.446 5.599 -13.572 1.00 62.33 O ATOM 0 H SER A 140 7.358 8.682 -15.907 1.00 60.55 H new ATOM 0 HA SER A 140 8.915 6.171 -16.008 1.00 53.20 H new ATOM 0 HB2 SER A 140 8.639 7.629 -13.851 1.00 23.33 H new ATOM 0 HB3 SER A 140 6.992 7.033 -13.827 1.00 23.33 H new ATOM 0 HG SER A 140 7.731 5.226 -13.016 1.00 62.33 H new ATOM 388 N TYR A 141 7.046 4.749 -16.753 1.00 74.43 N ATOM 389 CA TYR A 141 5.971 3.903 -17.258 1.00 73.31 C ATOM 390 C TYR A 141 6.174 2.452 -16.834 1.00 24.53 C ATOM 391 O TYR A 141 7.151 2.155 -16.147 1.00 12.01 O ATOM 392 CB TYR A 141 5.895 3.994 -18.783 1.00 60.22 C ATOM 393 CG TYR A 141 5.354 5.314 -19.285 1.00 20.42 C ATOM 394 CD1 TYR A 141 4.247 5.905 -18.689 1.00 3.25 C ATOM 395 CD2 TYR A 141 5.951 5.970 -20.355 1.00 35.52 C ATOM 396 CE1 TYR A 141 3.749 7.110 -19.144 1.00 44.42 C ATOM 397 CE2 TYR A 141 5.460 7.176 -20.816 1.00 62.12 C ATOM 398 CZ TYR A 141 4.359 7.742 -20.208 1.00 63.00 C ATOM 399 OH TYR A 141 3.867 8.943 -20.664 1.00 1.40 O ATOM 0 H TYR A 141 7.982 4.365 -16.884 1.00 74.43 H new ATOM 0 HA TYR A 141 5.033 4.259 -16.832 1.00 73.31 H new ATOM 0 HB2 TYR A 141 6.891 3.838 -19.198 1.00 60.22 H new ATOM 0 HB3 TYR A 141 5.264 3.187 -19.156 1.00 60.22 H new ATOM 0 HD1 TYR A 141 3.768 5.414 -17.855 1.00 3.25 H new ATOM 0 HD2 TYR A 141 6.813 5.530 -20.834 1.00 35.52 H new ATOM 0 HE1 TYR A 141 2.887 7.555 -18.670 1.00 44.42 H new ATOM 0 HE2 TYR A 141 5.936 7.673 -21.648 1.00 62.12 H new ATOM 0 HH TYR A 141 3.053 8.786 -21.186 1.00 1.40 H new ATOM 409 N CYS A 142 5.258 1.589 -17.248 1.00 22.53 N ATOM 410 CA CYS A 142 5.349 0.179 -16.905 1.00 54.43 C ATOM 411 C CYS A 142 6.198 -0.520 -17.968 1.00 43.24 C ATOM 412 O CYS A 142 6.362 -0.042 -19.091 1.00 40.30 O ATOM 413 CB CYS A 142 3.965 -0.460 -16.770 1.00 0.35 C ATOM 414 SG CYS A 142 3.261 -0.787 -18.427 1.00 3.22 S ATOM 0 H CYS A 142 4.449 1.838 -17.818 1.00 22.53 H new ATOM 0 HA CYS A 142 5.825 0.069 -15.931 1.00 54.43 H new ATOM 0 HB2 CYS A 142 4.039 -1.391 -16.207 1.00 0.35 H new ATOM 0 HB3 CYS A 142 3.304 0.200 -16.209 1.00 0.35 H new ATOM 0 HG CYS A 142 2.008 -0.440 -18.442 1.00 3.22 H new ATOM 419 N ASP A 143 6.739 -1.671 -17.587 1.00 21.53 N ATOM 420 CA ASP A 143 7.575 -2.459 -18.486 1.00 34.02 C ATOM 421 C ASP A 143 6.875 -2.680 -19.823 1.00 61.53 C ATOM 422 O ASP A 143 7.498 -2.595 -20.881 1.00 72.51 O ATOM 423 CB ASP A 143 7.920 -3.805 -17.847 1.00 73.45 C ATOM 424 CG ASP A 143 9.098 -4.480 -18.521 1.00 62.41 C ATOM 425 OD1 ASP A 143 9.735 -3.840 -19.384 1.00 34.04 O ATOM 426 OD2 ASP A 143 9.384 -5.649 -18.186 1.00 73.44 O ATOM 0 H ASP A 143 6.614 -2.080 -16.661 1.00 21.53 H new ATOM 0 HA ASP A 143 8.496 -1.905 -18.666 1.00 34.02 H new ATOM 0 HB2 ASP A 143 8.146 -3.656 -16.791 1.00 73.45 H new ATOM 0 HB3 ASP A 143 7.051 -4.461 -17.897 1.00 73.45 H new ATOM 431 N GLU A 144 5.578 -2.966 -19.767 1.00 11.21 N ATOM 432 CA GLU A 144 4.795 -3.201 -20.974 1.00 61.44 C ATOM 433 C GLU A 144 5.035 -2.099 -22.002 1.00 30.10 C ATOM 434 O GLU A 144 5.599 -2.374 -23.060 1.00 2.41 O ATOM 435 CB GLU A 144 3.305 -3.282 -20.635 1.00 62.33 C ATOM 436 CG GLU A 144 2.604 -4.479 -21.255 1.00 60.23 C ATOM 437 CD GLU A 144 1.775 -5.255 -20.250 1.00 53.31 C ATOM 438 OE1 GLU A 144 1.123 -4.615 -19.399 1.00 30.15 O ATOM 439 OE2 GLU A 144 1.778 -6.502 -20.316 1.00 13.11 O ATOM 0 H GLU A 144 5.048 -3.040 -18.899 1.00 11.21 H new ATOM 0 HA GLU A 144 5.114 -4.150 -21.404 1.00 61.44 H new ATOM 0 HB2 GLU A 144 3.189 -3.325 -19.552 1.00 62.33 H new ATOM 0 HB3 GLU A 144 2.814 -2.369 -20.972 1.00 62.33 H new ATOM 0 HG2 GLU A 144 1.960 -4.138 -22.066 1.00 60.23 H new ATOM 0 HG3 GLU A 144 3.348 -5.142 -21.696 1.00 60.23 H new ATOM 446 N CYS A 145 4.605 -0.890 -21.672 1.00 45.23 N ATOM 447 CA CYS A 145 4.779 0.237 -22.573 1.00 14.21 C ATOM 448 C CYS A 145 6.276 0.424 -22.826 1.00 71.14 C ATOM 449 O CYS A 145 6.722 0.679 -23.946 1.00 2.43 O ATOM 450 CB CYS A 145 4.131 1.508 -22.020 1.00 14.12 C ATOM 451 SG CYS A 145 2.378 1.186 -21.602 1.00 3.12 S ATOM 0 H CYS A 145 4.137 -0.666 -20.794 1.00 45.23 H new ATOM 0 HA CYS A 145 4.275 0.032 -23.517 1.00 14.21 H new ATOM 0 HB2 CYS A 145 4.669 1.844 -21.134 1.00 14.12 H new ATOM 0 HB3 CYS A 145 4.197 2.309 -22.756 1.00 14.12 H new ATOM 0 HG CYS A 145 1.694 2.284 -21.725 1.00 3.12 H new ATOM 456 N LEU A 146 7.048 0.290 -21.754 1.00 31.33 N ATOM 457 CA LEU A 146 8.497 0.438 -21.831 1.00 1.03 C ATOM 458 C LEU A 146 9.067 -0.379 -22.986 1.00 5.41 C ATOM 459 O LEU A 146 10.063 0.005 -23.600 1.00 52.54 O ATOM 460 CB LEU A 146 9.145 0.003 -20.515 1.00 33.10 C ATOM 461 CG LEU A 146 10.569 0.503 -20.270 1.00 72.02 C ATOM 462 CD1 LEU A 146 11.555 -0.236 -21.162 1.00 13.12 C ATOM 463 CD2 LEU A 146 10.655 2.004 -20.506 1.00 30.10 C ATOM 0 H LEU A 146 6.695 0.079 -20.821 1.00 31.33 H new ATOM 0 HA LEU A 146 8.721 1.490 -22.009 1.00 1.03 H new ATOM 0 HB2 LEU A 146 8.515 0.344 -19.693 1.00 33.10 H new ATOM 0 HB3 LEU A 146 9.153 -1.086 -20.480 1.00 33.10 H new ATOM 0 HG LEU A 146 10.830 0.303 -19.231 1.00 72.02 H new ATOM 0 HD11 LEU A 146 12.563 0.133 -20.974 1.00 13.12 H new ATOM 0 HD12 LEU A 146 11.513 -1.303 -20.945 1.00 13.12 H new ATOM 0 HD13 LEU A 146 11.296 -0.068 -22.207 1.00 13.12 H new ATOM 0 HD21 LEU A 146 11.676 2.343 -20.327 1.00 30.10 H new ATOM 0 HD22 LEU A 146 10.374 2.227 -21.535 1.00 30.10 H new ATOM 0 HD23 LEU A 146 9.977 2.519 -19.825 1.00 30.10 H new ATOM 475 N LYS A 147 8.429 -1.507 -23.278 1.00 1.31 N ATOM 476 CA LYS A 147 8.869 -2.377 -24.362 1.00 25.24 C ATOM 477 C LYS A 147 8.497 -1.788 -25.718 1.00 73.13 C ATOM 478 O LYS A 147 9.298 -1.801 -26.652 1.00 73.45 O ATOM 479 CB LYS A 147 8.250 -3.768 -24.210 1.00 73.20 C ATOM 480 CG LYS A 147 8.897 -4.822 -25.092 1.00 52.21 C ATOM 481 CD LYS A 147 8.033 -6.067 -25.199 1.00 32.25 C ATOM 482 CE LYS A 147 7.092 -5.993 -26.391 1.00 53.51 C ATOM 483 NZ LYS A 147 6.002 -7.004 -26.302 1.00 44.03 N ATOM 0 H LYS A 147 7.605 -1.840 -22.778 1.00 1.31 H new ATOM 0 HA LYS A 147 9.954 -2.462 -24.309 1.00 25.24 H new ATOM 0 HB2 LYS A 147 8.329 -4.080 -23.168 1.00 73.20 H new ATOM 0 HB3 LYS A 147 7.187 -3.711 -24.446 1.00 73.20 H new ATOM 0 HG2 LYS A 147 9.068 -4.410 -26.087 1.00 52.21 H new ATOM 0 HG3 LYS A 147 9.872 -5.089 -24.685 1.00 52.21 H new ATOM 0 HD2 LYS A 147 8.670 -6.946 -25.292 1.00 32.25 H new ATOM 0 HD3 LYS A 147 7.453 -6.188 -24.284 1.00 32.25 H new ATOM 0 HE2 LYS A 147 6.658 -4.995 -26.449 1.00 53.51 H new ATOM 0 HE3 LYS A 147 7.657 -6.149 -27.310 1.00 53.51 H new ATOM 0 HZ1 LYS A 147 5.382 -6.921 -27.133 1.00 44.03 H new ATOM 0 HZ2 LYS A 147 6.415 -7.958 -26.272 1.00 44.03 H new ATOM 0 HZ3 LYS A 147 5.446 -6.840 -25.438 1.00 44.03 H new ATOM 497 N ALA A 148 7.277 -1.271 -25.819 1.00 13.54 N ATOM 498 CA ALA A 148 6.800 -0.673 -27.060 1.00 31.51 C ATOM 499 C ALA A 148 7.566 0.604 -27.384 1.00 40.52 C ATOM 500 O ALA A 148 8.182 0.720 -28.444 1.00 62.12 O ATOM 501 CB ALA A 148 5.308 -0.388 -26.969 1.00 61.23 C ATOM 0 H ALA A 148 6.601 -1.254 -25.056 1.00 13.54 H new ATOM 0 HA ALA A 148 6.974 -1.384 -27.868 1.00 31.51 H new ATOM 0 HB1 ALA A 148 4.965 0.058 -27.902 1.00 61.23 H new ATOM 0 HB2 ALA A 148 4.770 -1.319 -26.793 1.00 61.23 H new ATOM 0 HB3 ALA A 148 5.119 0.301 -26.146 1.00 61.23 H new ATOM 507 N THR A 149 7.523 1.564 -26.465 1.00 44.10 N ATOM 508 CA THR A 149 8.212 2.835 -26.654 1.00 71.41 C ATOM 509 C THR A 149 9.675 2.618 -27.021 1.00 65.41 C ATOM 510 O THR A 149 10.258 3.394 -27.779 1.00 54.20 O ATOM 511 CB THR A 149 8.136 3.709 -25.388 1.00 20.41 C ATOM 512 OG1 THR A 149 8.972 4.862 -25.538 1.00 33.32 O ATOM 513 CG2 THR A 149 8.566 2.920 -24.160 1.00 1.41 C ATOM 0 H THR A 149 7.018 1.485 -25.582 1.00 44.10 H new ATOM 0 HA THR A 149 7.708 3.349 -27.472 1.00 71.41 H new ATOM 0 HB THR A 149 7.102 4.026 -25.253 1.00 20.41 H new ATOM 0 HG1 THR A 149 8.917 5.413 -24.730 1.00 33.32 H new ATOM 0 HG21 THR A 149 8.504 3.557 -23.278 1.00 1.41 H new ATOM 0 HG22 THR A 149 7.910 2.059 -24.032 1.00 1.41 H new ATOM 0 HG23 THR A 149 9.593 2.577 -24.289 1.00 1.41 H new ATOM 521 N HIS A 150 10.266 1.557 -26.479 1.00 74.25 N ATOM 522 CA HIS A 150 11.662 1.237 -26.752 1.00 24.04 C ATOM 523 C HIS A 150 11.774 0.006 -27.646 1.00 54.13 C ATOM 524 O HIS A 150 11.873 -1.127 -27.175 1.00 53.00 O ATOM 525 CB HIS A 150 12.418 1.001 -25.443 1.00 72.24 C ATOM 526 CG HIS A 150 12.489 2.212 -24.566 1.00 1.42 C ATOM 527 ND1 HIS A 150 13.262 2.271 -23.426 1.00 2.34 N ATOM 528 CD2 HIS A 150 11.879 3.416 -24.668 1.00 2.53 C ATOM 529 CE1 HIS A 150 13.123 3.459 -22.863 1.00 65.41 C ATOM 530 NE2 HIS A 150 12.290 4.173 -23.598 1.00 33.34 N ATOM 0 H HIS A 150 9.799 0.905 -25.848 1.00 74.25 H new ATOM 0 HA HIS A 150 12.107 2.084 -27.274 1.00 24.04 H new ATOM 0 HB2 HIS A 150 11.934 0.193 -24.894 1.00 72.24 H new ATOM 0 HB3 HIS A 150 13.430 0.669 -25.673 1.00 72.24 H new ATOM 0 HD2 HIS A 150 11.196 3.724 -25.446 1.00 2.53 H new ATOM 0 HE1 HIS A 150 13.608 3.789 -21.956 1.00 65.41 H new ATOM 0 HE2 HIS A 150 11.999 5.131 -23.403 1.00 33.34 H new ATOM 664 N HIS A 159 18.730 4.265 -25.512 1.00 73.23 N ATOM 665 CA HIS A 159 17.878 4.727 -24.422 1.00 5.41 C ATOM 666 C HIS A 159 18.392 4.218 -23.078 1.00 51.44 C ATOM 667 O HIS A 159 18.530 3.013 -22.872 1.00 64.44 O ATOM 668 CB HIS A 159 16.438 4.264 -24.639 1.00 71.44 C ATOM 669 CG HIS A 159 15.609 5.232 -25.425 1.00 51.33 C ATOM 670 ND1 HIS A 159 14.316 5.568 -25.083 1.00 21.24 N ATOM 671 CD2 HIS A 159 15.896 5.940 -26.543 1.00 1.44 C ATOM 672 CE1 HIS A 159 13.843 6.439 -25.956 1.00 23.20 C ATOM 673 NE2 HIS A 159 14.783 6.682 -26.852 1.00 53.11 N ATOM 0 HA HIS A 159 17.903 5.817 -24.412 1.00 5.41 H new ATOM 0 HB2 HIS A 159 16.448 3.304 -25.155 1.00 71.44 H new ATOM 0 HB3 HIS A 159 15.968 4.100 -23.669 1.00 71.44 H new ATOM 0 HD1 HIS A 159 13.804 5.201 -24.281 1.00 21.24 H new ATOM 0 HD2 HIS A 159 16.827 5.924 -27.090 1.00 1.44 H new ATOM 0 HE1 HIS A 159 12.856 6.878 -25.940 1.00 23.20 H new ATOM 680 N ARG A 160 18.673 5.145 -22.168 1.00 43.13 N ATOM 681 CA ARG A 160 19.173 4.790 -20.846 1.00 3.14 C ATOM 682 C ARG A 160 18.052 4.829 -19.812 1.00 12.42 C ATOM 683 O ARG A 160 17.063 5.544 -19.980 1.00 13.12 O ATOM 684 CB ARG A 160 20.298 5.740 -20.430 1.00 51.32 C ATOM 685 CG ARG A 160 21.545 5.621 -21.291 1.00 22.14 C ATOM 686 CD ARG A 160 21.993 4.174 -21.425 1.00 31.22 C ATOM 687 NE ARG A 160 23.408 4.069 -21.772 1.00 34.51 N ATOM 688 CZ ARG A 160 23.901 4.411 -22.957 1.00 2.35 C ATOM 689 NH1 ARG A 160 23.099 4.879 -23.902 1.00 54.45 N ATOM 690 NH2 ARG A 160 25.200 4.287 -23.197 1.00 22.33 N ATOM 0 H ARG A 160 18.563 6.147 -22.322 1.00 43.13 H new ATOM 0 HA ARG A 160 19.564 3.774 -20.895 1.00 3.14 H new ATOM 0 HB2 ARG A 160 19.932 6.766 -20.476 1.00 51.32 H new ATOM 0 HB3 ARG A 160 20.564 5.542 -19.391 1.00 51.32 H new ATOM 0 HG2 ARG A 160 21.347 6.035 -22.280 1.00 22.14 H new ATOM 0 HG3 ARG A 160 22.349 6.213 -20.853 1.00 22.14 H new ATOM 0 HD2 ARG A 160 21.810 3.650 -20.487 1.00 31.22 H new ATOM 0 HD3 ARG A 160 21.395 3.679 -22.189 1.00 31.22 H new ATOM 0 HE ARG A 160 24.053 3.714 -21.066 1.00 34.51 H new ATOM 0 HH11 ARG A 160 22.100 4.977 -23.720 1.00 54.45 H new ATOM 0 HH12 ARG A 160 23.480 5.141 -24.811 1.00 54.45 H new ATOM 0 HH21 ARG A 160 25.821 3.929 -22.471 1.00 22.33 H new ATOM 0 HH22 ARG A 160 25.578 4.550 -24.107 1.00 22.33 H new ATOM 704 N LEU A 161 18.212 4.057 -18.743 1.00 61.11 N ATOM 705 CA LEU A 161 17.213 4.003 -17.681 1.00 61.44 C ATOM 706 C LEU A 161 17.876 4.038 -16.308 1.00 14.21 C ATOM 707 O LEU A 161 19.089 4.215 -16.198 1.00 23.41 O ATOM 708 CB LEU A 161 16.364 2.738 -17.818 1.00 35.12 C ATOM 709 CG LEU A 161 15.873 2.408 -19.228 1.00 34.12 C ATOM 710 CD1 LEU A 161 16.737 1.324 -19.854 1.00 53.40 C ATOM 711 CD2 LEU A 161 14.413 1.978 -19.197 1.00 62.44 C ATOM 0 H LEU A 161 19.024 3.460 -18.588 1.00 61.11 H new ATOM 0 HA LEU A 161 16.569 4.878 -17.775 1.00 61.44 H new ATOM 0 HB2 LEU A 161 16.946 1.893 -17.450 1.00 35.12 H new ATOM 0 HB3 LEU A 161 15.496 2.835 -17.166 1.00 35.12 H new ATOM 0 HG LEU A 161 15.954 3.306 -19.840 1.00 34.12 H new ATOM 0 HD11 LEU A 161 16.373 1.102 -20.857 1.00 53.40 H new ATOM 0 HD12 LEU A 161 17.769 1.669 -19.911 1.00 53.40 H new ATOM 0 HD13 LEU A 161 16.689 0.423 -19.243 1.00 53.40 H new ATOM 0 HD21 LEU A 161 14.080 1.747 -20.209 1.00 62.44 H new ATOM 0 HD22 LEU A 161 14.308 1.093 -18.569 1.00 62.44 H new ATOM 0 HD23 LEU A 161 13.804 2.786 -18.790 1.00 62.44 H new ATOM 723 N ILE A 162 17.071 3.868 -15.264 1.00 62.42 N ATOM 724 CA ILE A 162 17.580 3.877 -13.898 1.00 64.05 C ATOM 725 C ILE A 162 17.502 2.488 -13.273 1.00 45.32 C ATOM 726 O ILE A 162 16.492 2.123 -12.674 1.00 75.15 O ATOM 727 CB ILE A 162 16.803 4.870 -13.015 1.00 12.04 C ATOM 728 CG1 ILE A 162 16.724 6.238 -13.695 1.00 3.45 C ATOM 729 CG2 ILE A 162 17.460 4.989 -11.647 1.00 75.34 C ATOM 730 CD1 ILE A 162 15.318 6.641 -14.081 1.00 4.53 C ATOM 0 H ILE A 162 16.064 3.722 -15.338 1.00 62.42 H new ATOM 0 HA ILE A 162 18.623 4.190 -13.951 1.00 64.05 H new ATOM 0 HB ILE A 162 15.789 4.495 -12.878 1.00 12.04 H new ATOM 0 HG12 ILE A 162 17.138 6.992 -13.026 1.00 3.45 H new ATOM 0 HG13 ILE A 162 17.348 6.227 -14.588 1.00 3.45 H new ATOM 0 HG21 ILE A 162 16.899 5.695 -11.034 1.00 75.34 H new ATOM 0 HG22 ILE A 162 17.468 4.013 -11.161 1.00 75.34 H new ATOM 0 HG23 ILE A 162 18.484 5.344 -11.765 1.00 75.34 H new ATOM 0 HD11 ILE A 162 15.338 7.621 -14.558 1.00 4.53 H new ATOM 0 HD12 ILE A 162 14.907 5.908 -14.775 1.00 4.53 H new ATOM 0 HD13 ILE A 162 14.694 6.685 -13.188 1.00 4.53 H new ATOM 894 N LEU A 173 22.997 -3.888 -9.045 1.00 2.40 N ATOM 895 CA LEU A 173 23.126 -3.000 -10.196 1.00 23.52 C ATOM 896 C LEU A 173 23.723 -1.658 -9.784 1.00 74.25 C ATOM 897 O LEU A 173 23.625 -1.253 -8.627 1.00 34.35 O ATOM 898 CB LEU A 173 21.762 -2.785 -10.854 1.00 64.33 C ATOM 899 CG LEU A 173 21.506 -3.572 -12.140 1.00 62.11 C ATOM 900 CD1 LEU A 173 20.038 -3.952 -12.250 1.00 32.34 C ATOM 901 CD2 LEU A 173 21.942 -2.766 -13.355 1.00 3.33 C ATOM 0 HA LEU A 173 23.798 -3.470 -10.914 1.00 23.52 H new ATOM 0 HB2 LEU A 173 20.988 -3.045 -10.132 1.00 64.33 H new ATOM 0 HB3 LEU A 173 21.650 -1.723 -11.073 1.00 64.33 H new ATOM 0 HG LEU A 173 22.096 -4.488 -12.106 1.00 62.11 H new ATOM 0 HD11 LEU A 173 19.875 -4.511 -13.171 1.00 32.34 H new ATOM 0 HD12 LEU A 173 19.757 -4.569 -11.396 1.00 32.34 H new ATOM 0 HD13 LEU A 173 19.428 -3.049 -12.261 1.00 32.34 H new ATOM 0 HD21 LEU A 173 21.752 -3.342 -14.261 1.00 3.33 H new ATOM 0 HD22 LEU A 173 21.380 -1.833 -13.394 1.00 3.33 H new ATOM 0 HD23 LEU A 173 23.007 -2.545 -13.282 1.00 3.33 H new ATOM 913 N MET A 174 24.339 -0.972 -10.741 1.00 74.05 N ATOM 914 CA MET A 174 24.948 0.327 -10.479 1.00 34.21 C ATOM 915 C MET A 174 24.164 1.443 -11.162 1.00 70.24 C ATOM 916 O MET A 174 23.281 1.152 -11.967 1.00 73.34 O ATOM 917 CB MET A 174 26.400 0.339 -10.959 1.00 41.54 C ATOM 918 CG MET A 174 27.395 0.720 -9.875 1.00 44.04 C ATOM 919 SD MET A 174 29.078 0.204 -10.266 1.00 24.13 S ATOM 920 CE MET A 174 28.907 -1.578 -10.212 1.00 60.21 C ATOM 0 H MET A 174 24.430 -1.294 -11.705 1.00 74.05 H new ATOM 0 HA MET A 174 24.928 0.500 -9.403 1.00 34.21 H new ATOM 0 HB2 MET A 174 26.655 -0.648 -11.344 1.00 41.54 H new ATOM 0 HB3 MET A 174 26.494 1.039 -11.789 1.00 41.54 H new ATOM 0 HG2 MET A 174 27.374 1.800 -9.731 1.00 44.04 H new ATOM 0 HG3 MET A 174 27.090 0.267 -8.932 1.00 44.04 H new ATOM 0 HE1 MET A 174 29.874 -2.030 -9.989 1.00 60.21 H new ATOM 0 HE2 MET A 174 28.191 -1.852 -9.437 1.00 60.21 H new ATOM 0 HE3 MET A 174 28.552 -1.939 -11.177 1.00 60.21 H new ATOM 930 N CYS A 175 24.499 2.681 -10.831 1.00 41.23 N ATOM 931 CA CYS A 175 23.820 3.823 -11.419 1.00 74.04 C ATOM 932 C CYS A 175 24.364 4.029 -12.835 1.00 14.15 C ATOM 933 O CYS A 175 25.237 3.303 -13.311 1.00 4.32 O ATOM 934 CB CYS A 175 23.976 5.079 -10.559 1.00 72.24 C ATOM 935 SG CYS A 175 22.357 5.911 -10.367 1.00 22.42 S ATOM 0 H CYS A 175 25.232 2.919 -10.163 1.00 41.23 H new ATOM 0 HA CYS A 175 22.749 3.627 -11.467 1.00 74.04 H new ATOM 0 HB2 CYS A 175 24.376 4.812 -9.581 1.00 72.24 H new ATOM 0 HB3 CYS A 175 24.691 5.759 -11.021 1.00 72.24 H new ATOM 0 HG CYS A 175 22.355 6.609 -9.270 1.00 22.42 H new ATOM 940 N LEU A 176 23.824 5.043 -13.501 1.00 55.24 N ATOM 941 CA LEU A 176 24.235 5.370 -14.862 1.00 63.22 C ATOM 942 C LEU A 176 25.725 5.695 -14.917 1.00 55.32 C ATOM 943 O LEU A 176 26.493 5.014 -15.594 1.00 65.31 O ATOM 944 CB LEU A 176 23.423 6.553 -15.392 1.00 22.02 C ATOM 945 CG LEU A 176 23.549 6.837 -16.889 1.00 4.41 C ATOM 946 CD1 LEU A 176 22.333 6.312 -17.636 1.00 44.43 C ATOM 947 CD2 LEU A 176 23.727 8.329 -17.135 1.00 75.54 C ATOM 0 H LEU A 176 23.100 5.653 -13.121 1.00 55.24 H new ATOM 0 HA LEU A 176 24.048 4.499 -15.491 1.00 63.22 H new ATOM 0 HB2 LEU A 176 22.372 6.378 -15.163 1.00 22.02 H new ATOM 0 HB3 LEU A 176 23.723 7.448 -14.846 1.00 22.02 H new ATOM 0 HG LEU A 176 24.431 6.319 -17.265 1.00 4.41 H new ATOM 0 HD11 LEU A 176 22.440 6.523 -18.700 1.00 44.43 H new ATOM 0 HD12 LEU A 176 22.251 5.235 -17.486 1.00 44.43 H new ATOM 0 HD13 LEU A 176 21.435 6.801 -17.258 1.00 44.43 H new ATOM 0 HD21 LEU A 176 23.815 8.513 -18.206 1.00 75.54 H new ATOM 0 HD22 LEU A 176 22.864 8.868 -16.744 1.00 75.54 H new ATOM 0 HD23 LEU A 176 24.630 8.676 -16.632 1.00 75.54 H new ATOM 959 N GLU A 177 26.124 6.740 -14.199 1.00 13.05 N ATOM 960 CA GLU A 177 27.521 7.154 -14.165 1.00 44.21 C ATOM 961 C GLU A 177 27.983 7.397 -12.731 1.00 32.10 C ATOM 962 O GLU A 177 28.560 8.440 -12.421 1.00 30.54 O ATOM 963 CB GLU A 177 27.721 8.422 -14.998 1.00 52.11 C ATOM 964 CG GLU A 177 29.149 8.616 -15.479 1.00 1.33 C ATOM 965 CD GLU A 177 29.418 10.032 -15.951 1.00 63.22 C ATOM 966 OE1 GLU A 177 28.607 10.559 -16.741 1.00 30.34 O ATOM 967 OE2 GLU A 177 30.441 10.612 -15.531 1.00 10.52 O ATOM 0 H GLU A 177 25.500 7.315 -13.633 1.00 13.05 H new ATOM 0 HA GLU A 177 28.121 6.350 -14.590 1.00 44.21 H new ATOM 0 HB2 GLU A 177 27.057 8.387 -15.862 1.00 52.11 H new ATOM 0 HB3 GLU A 177 27.426 9.287 -14.404 1.00 52.11 H new ATOM 0 HG2 GLU A 177 29.837 8.369 -14.671 1.00 1.33 H new ATOM 0 HG3 GLU A 177 29.352 7.921 -16.294 1.00 1.33 H new ATOM 974 N HIS A 178 27.724 6.427 -11.860 1.00 33.31 N ATOM 975 CA HIS A 178 28.112 6.534 -10.458 1.00 40.11 C ATOM 976 C HIS A 178 28.654 5.205 -9.941 1.00 64.02 C ATOM 977 O HIS A 178 27.945 4.452 -9.276 1.00 33.24 O ATOM 978 CB HIS A 178 26.920 6.976 -9.609 1.00 52.52 C ATOM 979 CG HIS A 178 26.395 8.331 -9.974 1.00 11.15 C ATOM 980 ND1 HIS A 178 25.052 8.598 -10.142 1.00 25.25 N ATOM 981 CD2 HIS A 178 27.040 9.499 -10.200 1.00 63.05 C ATOM 982 CE1 HIS A 178 24.895 9.871 -10.458 1.00 30.32 C ATOM 983 NE2 HIS A 178 26.086 10.440 -10.500 1.00 0.13 N ATOM 0 H HIS A 178 27.247 5.558 -12.100 1.00 33.31 H new ATOM 0 HA HIS A 178 28.901 7.283 -10.382 1.00 40.11 H new ATOM 0 HB2 HIS A 178 26.119 6.245 -9.714 1.00 52.52 H new ATOM 0 HB3 HIS A 178 27.213 6.980 -8.559 1.00 52.52 H new ATOM 0 HD2 HIS A 178 28.107 9.661 -10.153 1.00 63.05 H new ATOM 0 HE1 HIS A 178 23.953 10.363 -10.649 1.00 30.32 H new ATOM 0 HE2 HIS A 178 26.268 11.419 -10.720 1.00 0.13 H new ATOM 990 N GLU A 179 29.916 4.924 -10.253 1.00 52.44 N ATOM 991 CA GLU A 179 30.551 3.685 -9.821 1.00 44.23 C ATOM 992 C GLU A 179 30.992 3.779 -8.363 1.00 41.44 C ATOM 993 O GLU A 179 30.972 2.789 -7.632 1.00 71.04 O ATOM 994 CB GLU A 179 31.756 3.367 -10.710 1.00 34.20 C ATOM 995 CG GLU A 179 32.829 4.442 -10.689 1.00 20.04 C ATOM 996 CD GLU A 179 33.888 4.188 -9.634 1.00 23.23 C ATOM 997 OE1 GLU A 179 34.457 3.076 -9.619 1.00 11.32 O ATOM 998 OE2 GLU A 179 34.149 5.102 -8.823 1.00 73.31 O ATOM 0 H GLU A 179 30.518 5.537 -10.803 1.00 52.44 H new ATOM 0 HA GLU A 179 29.820 2.882 -9.910 1.00 44.23 H new ATOM 0 HB2 GLU A 179 32.194 2.422 -10.389 1.00 34.20 H new ATOM 0 HB3 GLU A 179 31.413 3.228 -11.735 1.00 34.20 H new ATOM 0 HG2 GLU A 179 33.303 4.496 -11.669 1.00 20.04 H new ATOM 0 HG3 GLU A 179 32.364 5.411 -10.506 1.00 20.04 H new ATOM 1005 N ASP A 180 31.390 4.977 -7.948 1.00 62.22 N ATOM 1006 CA ASP A 180 31.836 5.202 -6.578 1.00 33.11 C ATOM 1007 C ASP A 180 30.668 5.095 -5.602 1.00 72.24 C ATOM 1008 O ASP A 180 30.860 4.827 -4.417 1.00 22.01 O ATOM 1009 CB ASP A 180 32.496 6.576 -6.453 1.00 25.40 C ATOM 1010 CG ASP A 180 32.589 7.045 -5.014 1.00 54.04 C ATOM 1011 OD1 ASP A 180 33.524 6.614 -4.308 1.00 20.11 O ATOM 1012 OD2 ASP A 180 31.726 7.844 -4.595 1.00 53.22 O ATOM 0 H ASP A 180 31.413 5.807 -8.541 1.00 62.22 H new ATOM 0 HA ASP A 180 32.567 4.432 -6.329 1.00 33.11 H new ATOM 0 HB2 ASP A 180 33.496 6.536 -6.884 1.00 25.40 H new ATOM 0 HB3 ASP A 180 31.928 7.303 -7.033 1.00 25.40 H new ATOM 1017 N GLU A 181 29.458 5.307 -6.110 1.00 54.11 N ATOM 1018 CA GLU A 181 28.259 5.236 -5.282 1.00 44.22 C ATOM 1019 C GLU A 181 27.207 4.337 -5.924 1.00 71.12 C ATOM 1020 O GLU A 181 26.695 4.633 -7.004 1.00 41.40 O ATOM 1021 CB GLU A 181 27.683 6.636 -5.060 1.00 32.14 C ATOM 1022 CG GLU A 181 27.377 6.944 -3.603 1.00 71.34 C ATOM 1023 CD GLU A 181 26.012 6.440 -3.175 1.00 2.30 C ATOM 1024 OE1 GLU A 181 25.022 7.179 -3.359 1.00 62.41 O ATOM 1025 OE2 GLU A 181 25.935 5.307 -2.655 1.00 52.24 O ATOM 0 H GLU A 181 29.282 5.529 -7.090 1.00 54.11 H new ATOM 0 HA GLU A 181 28.538 4.808 -4.319 1.00 44.22 H new ATOM 0 HB2 GLU A 181 28.390 7.375 -5.438 1.00 32.14 H new ATOM 0 HB3 GLU A 181 26.769 6.741 -5.645 1.00 32.14 H new ATOM 0 HG2 GLU A 181 28.142 6.492 -2.971 1.00 71.34 H new ATOM 0 HG3 GLU A 181 27.429 8.021 -3.444 1.00 71.34 H new ATOM 1032 N LYS A 182 26.889 3.236 -5.252 1.00 72.43 N ATOM 1033 CA LYS A 182 25.897 2.292 -5.755 1.00 25.34 C ATOM 1034 C LYS A 182 24.487 2.732 -5.377 1.00 53.22 C ATOM 1035 O LYS A 182 24.305 3.685 -4.620 1.00 11.34 O ATOM 1036 CB LYS A 182 26.171 0.891 -5.202 1.00 12.11 C ATOM 1037 CG LYS A 182 26.642 -0.097 -6.255 1.00 3.12 C ATOM 1038 CD LYS A 182 27.016 -1.434 -5.637 1.00 42.13 C ATOM 1039 CE LYS A 182 26.780 -2.581 -6.607 1.00 72.42 C ATOM 1040 NZ LYS A 182 27.857 -3.607 -6.527 1.00 11.34 N ATOM 0 H LYS A 182 27.304 2.975 -4.357 1.00 72.43 H new ATOM 0 HA LYS A 182 25.972 2.269 -6.842 1.00 25.34 H new ATOM 0 HB2 LYS A 182 26.925 0.960 -4.418 1.00 12.11 H new ATOM 0 HB3 LYS A 182 25.262 0.509 -4.738 1.00 12.11 H new ATOM 0 HG2 LYS A 182 25.855 -0.244 -6.995 1.00 3.12 H new ATOM 0 HG3 LYS A 182 27.503 0.315 -6.782 1.00 3.12 H new ATOM 0 HD2 LYS A 182 28.064 -1.418 -5.339 1.00 42.13 H new ATOM 0 HD3 LYS A 182 26.430 -1.595 -4.732 1.00 42.13 H new ATOM 0 HE2 LYS A 182 25.818 -3.047 -6.391 1.00 72.42 H new ATOM 0 HE3 LYS A 182 26.725 -2.191 -7.623 1.00 72.42 H new ATOM 0 HZ1 LYS A 182 27.659 -4.372 -7.204 1.00 11.34 H new ATOM 0 HZ2 LYS A 182 28.772 -3.169 -6.758 1.00 11.34 H new ATOM 0 HZ3 LYS A 182 27.893 -3.998 -5.564 1.00 11.34 H new ATOM 1054 N VAL A 183 23.490 2.031 -5.910 1.00 5.35 N ATOM 1055 CA VAL A 183 22.096 2.349 -5.626 1.00 71.44 C ATOM 1056 C VAL A 183 21.667 1.785 -4.276 1.00 44.30 C ATOM 1057 O VAL A 183 21.732 0.578 -4.047 1.00 1.51 O ATOM 1058 CB VAL A 183 21.162 1.797 -6.720 1.00 13.51 C ATOM 1059 CG1 VAL A 183 21.369 2.547 -8.027 1.00 65.43 C ATOM 1060 CG2 VAL A 183 21.387 0.305 -6.910 1.00 35.04 C ATOM 0 H VAL A 183 23.622 1.240 -6.540 1.00 5.35 H new ATOM 0 HA VAL A 183 22.017 3.436 -5.604 1.00 71.44 H new ATOM 0 HB VAL A 183 20.130 1.947 -6.402 1.00 13.51 H new ATOM 0 HG11 VAL A 183 20.701 2.143 -8.788 1.00 65.43 H new ATOM 0 HG12 VAL A 183 21.152 3.605 -7.878 1.00 65.43 H new ATOM 0 HG13 VAL A 183 22.403 2.431 -8.353 1.00 65.43 H new ATOM 0 HG21 VAL A 183 20.719 -0.068 -7.686 1.00 35.04 H new ATOM 0 HG22 VAL A 183 22.421 0.128 -7.205 1.00 35.04 H new ATOM 0 HG23 VAL A 183 21.182 -0.216 -5.975 1.00 35.04 H new ATOM 1070 N ASN A 184 21.229 2.669 -3.385 1.00 32.41 N ATOM 1071 CA ASN A 184 20.789 2.259 -2.056 1.00 1.51 C ATOM 1072 C ASN A 184 19.526 3.011 -1.645 1.00 45.04 C ATOM 1073 O ASN A 184 19.246 3.172 -0.458 1.00 22.21 O ATOM 1074 CB ASN A 184 21.898 2.505 -1.031 1.00 2.01 C ATOM 1075 CG ASN A 184 22.968 1.430 -1.068 1.00 14.44 C ATOM 1076 OD1 ASN A 184 22.724 0.312 -1.520 1.00 70.23 O ATOM 1077 ND2 ASN A 184 24.160 1.766 -0.590 1.00 2.15 N ATOM 0 H ASN A 184 21.169 3.672 -3.559 1.00 32.41 H new ATOM 0 HA ASN A 184 20.562 1.193 -2.088 1.00 1.51 H new ATOM 0 HB2 ASN A 184 22.356 3.476 -1.221 1.00 2.01 H new ATOM 0 HB3 ASN A 184 21.463 2.547 -0.032 1.00 2.01 H new ATOM 0 HD21 ASN A 184 24.919 1.085 -0.588 1.00 2.15 H new ATOM 0 HD22 ASN A 184 24.317 2.705 -0.225 1.00 2.15 H new ATOM 1084 N MET A 185 18.768 3.468 -2.636 1.00 42.43 N ATOM 1085 CA MET A 185 17.534 4.201 -2.378 1.00 42.41 C ATOM 1086 C MET A 185 16.451 3.812 -3.379 1.00 31.22 C ATOM 1087 O MET A 185 16.704 3.062 -4.322 1.00 23.22 O ATOM 1088 CB MET A 185 17.788 5.709 -2.444 1.00 73.33 C ATOM 1089 CG MET A 185 18.284 6.299 -1.135 1.00 2.53 C ATOM 1090 SD MET A 185 17.859 8.042 -0.953 1.00 53.34 S ATOM 1091 CE MET A 185 17.928 8.224 0.827 1.00 13.21 C ATOM 0 H MET A 185 18.986 3.344 -3.625 1.00 42.43 H new ATOM 0 HA MET A 185 17.189 3.941 -1.377 1.00 42.41 H new ATOM 0 HB2 MET A 185 18.521 5.912 -3.225 1.00 73.33 H new ATOM 0 HB3 MET A 185 16.865 6.212 -2.734 1.00 73.33 H new ATOM 0 HG2 MET A 185 17.859 5.737 -0.304 1.00 2.53 H new ATOM 0 HG3 MET A 185 19.366 6.185 -1.077 1.00 2.53 H new ATOM 0 HE1 MET A 185 17.688 9.252 1.097 1.00 13.21 H new ATOM 0 HE2 MET A 185 17.208 7.549 1.290 1.00 13.21 H new ATOM 0 HE3 MET A 185 18.931 7.981 1.179 1.00 13.21 H new ATOM 1101 N TYR A 186 15.244 4.325 -3.167 1.00 42.12 N ATOM 1102 CA TYR A 186 14.122 4.028 -4.049 1.00 51.34 C ATOM 1103 C TYR A 186 13.280 5.276 -4.299 1.00 0.04 C ATOM 1104 O TYR A 186 12.989 6.006 -3.353 1.00 12.44 O ATOM 1105 CB TYR A 186 13.251 2.924 -3.448 1.00 22.13 C ATOM 1106 CG TYR A 186 12.186 2.411 -4.390 1.00 40.44 C ATOM 1107 CD1 TYR A 186 11.004 3.115 -4.584 1.00 0.43 C ATOM 1108 CD2 TYR A 186 12.362 1.223 -5.089 1.00 3.03 C ATOM 1109 CE1 TYR A 186 10.028 2.650 -5.443 1.00 50.35 C ATOM 1110 CE2 TYR A 186 11.392 0.751 -5.952 1.00 3.03 C ATOM 1111 CZ TYR A 186 10.227 1.468 -6.125 1.00 72.13 C ATOM 1112 OH TYR A 186 9.257 1.002 -6.984 1.00 25.13 O ATOM 0 H TYR A 186 15.018 4.948 -2.392 1.00 42.12 H new ATOM 0 HA TYR A 186 14.524 3.686 -5.003 1.00 51.34 H new ATOM 0 HB2 TYR A 186 13.889 2.093 -3.148 1.00 22.13 H new ATOM 0 HB3 TYR A 186 12.773 3.302 -2.544 1.00 22.13 H new ATOM 0 HD1 TYR A 186 10.846 4.042 -4.054 1.00 0.43 H new ATOM 0 HD2 TYR A 186 13.273 0.659 -4.955 1.00 3.03 H new ATOM 0 HE1 TYR A 186 9.114 3.209 -5.580 1.00 50.35 H new ATOM 0 HE2 TYR A 186 11.545 -0.174 -6.488 1.00 3.03 H new ATOM 0 HH TYR A 186 9.682 0.616 -7.778 1.00 25.13 H new ATOM 1122 N CYS A 187 12.911 5.490 -5.553 1.00 63.01 N ATOM 1123 CA CYS A 187 12.107 6.646 -5.910 1.00 1.31 C ATOM 1124 C CYS A 187 10.675 6.174 -6.169 1.00 21.01 C ATOM 1125 O CYS A 187 10.429 5.167 -6.832 1.00 64.55 O ATOM 1126 CB CYS A 187 12.689 7.390 -7.113 1.00 41.55 C ATOM 1127 SG CYS A 187 11.634 8.826 -7.532 1.00 32.12 S ATOM 0 H CYS A 187 13.154 4.882 -6.335 1.00 63.01 H new ATOM 0 HA CYS A 187 12.109 7.362 -5.088 1.00 1.31 H new ATOM 0 HB2 CYS A 187 13.701 7.725 -6.888 1.00 41.55 H new ATOM 0 HB3 CYS A 187 12.758 6.718 -7.968 1.00 41.55 H new ATOM 0 HG CYS A 187 12.320 9.678 -8.235 1.00 32.12 H new ATOM 1132 N VAL A 188 9.727 6.931 -5.626 1.00 30.14 N ATOM 1133 CA VAL A 188 8.312 6.614 -5.783 1.00 4.44 C ATOM 1134 C VAL A 188 7.773 7.150 -7.104 1.00 13.21 C ATOM 1135 O VAL A 188 7.133 6.425 -7.866 1.00 52.24 O ATOM 1136 CB VAL A 188 7.476 7.194 -4.626 1.00 71.33 C ATOM 1137 CG1 VAL A 188 6.001 6.880 -4.825 1.00 12.12 C ATOM 1138 CG2 VAL A 188 7.969 6.656 -3.291 1.00 52.23 C ATOM 0 H VAL A 188 9.913 7.768 -5.074 1.00 30.14 H new ATOM 0 HA VAL A 188 8.227 5.527 -5.774 1.00 4.44 H new ATOM 0 HB VAL A 188 7.595 8.277 -4.621 1.00 71.33 H new ATOM 0 HG11 VAL A 188 5.425 7.297 -3.999 1.00 12.12 H new ATOM 0 HG12 VAL A 188 5.659 7.318 -5.763 1.00 12.12 H new ATOM 0 HG13 VAL A 188 5.860 5.800 -4.856 1.00 12.12 H new ATOM 0 HG21 VAL A 188 7.367 7.076 -2.485 1.00 52.23 H new ATOM 0 HG22 VAL A 188 7.881 5.570 -3.282 1.00 52.23 H new ATOM 0 HG23 VAL A 188 9.013 6.936 -3.149 1.00 52.23 H new ATOM 1148 N THR A 189 8.035 8.426 -7.370 1.00 63.04 N ATOM 1149 CA THR A 189 7.576 9.060 -8.599 1.00 52.34 C ATOM 1150 C THR A 189 7.972 8.241 -9.822 1.00 40.14 C ATOM 1151 O THR A 189 7.280 8.253 -10.840 1.00 74.03 O ATOM 1152 CB THR A 189 8.145 10.484 -8.743 1.00 52.53 C ATOM 1153 OG1 THR A 189 7.957 11.212 -7.525 1.00 1.54 O ATOM 1154 CG2 THR A 189 7.471 11.223 -9.890 1.00 42.00 C ATOM 0 H THR A 189 8.563 9.040 -6.750 1.00 63.04 H new ATOM 0 HA THR A 189 6.489 9.115 -8.539 1.00 52.34 H new ATOM 0 HB THR A 189 9.211 10.405 -8.958 1.00 52.53 H new ATOM 0 HG1 THR A 189 8.323 12.116 -7.624 1.00 1.54 H new ATOM 0 HG21 THR A 189 7.889 12.226 -9.972 1.00 42.00 H new ATOM 0 HG22 THR A 189 7.640 10.682 -10.821 1.00 42.00 H new ATOM 0 HG23 THR A 189 6.400 11.291 -9.700 1.00 42.00 H new ATOM 1162 N ASP A 190 9.089 7.530 -9.716 1.00 1.13 N ATOM 1163 CA ASP A 190 9.577 6.703 -10.813 1.00 73.12 C ATOM 1164 C ASP A 190 9.338 5.224 -10.526 1.00 60.34 C ATOM 1165 O ASP A 190 9.322 4.399 -11.440 1.00 71.31 O ATOM 1166 CB ASP A 190 11.067 6.956 -11.048 1.00 32.33 C ATOM 1167 CG ASP A 190 11.377 8.423 -11.273 1.00 74.53 C ATOM 1168 OD1 ASP A 190 10.425 9.206 -11.469 1.00 54.23 O ATOM 1169 OD2 ASP A 190 12.571 8.787 -11.255 1.00 23.43 O ATOM 0 H ASP A 190 9.674 7.510 -8.881 1.00 1.13 H new ATOM 0 HA ASP A 190 9.025 6.974 -11.713 1.00 73.12 H new ATOM 0 HB2 ASP A 190 11.634 6.596 -10.189 1.00 32.33 H new ATOM 0 HB3 ASP A 190 11.398 6.381 -11.913 1.00 32.33 H new ATOM 1174 N ASP A 191 9.154 4.896 -9.252 1.00 63.33 N ATOM 1175 CA ASP A 191 8.917 3.516 -8.845 1.00 34.24 C ATOM 1176 C ASP A 191 10.119 2.637 -9.176 1.00 35.34 C ATOM 1177 O ASP A 191 9.972 1.444 -9.443 1.00 13.33 O ATOM 1178 CB ASP A 191 7.664 2.968 -9.530 1.00 31.32 C ATOM 1179 CG ASP A 191 6.685 2.360 -8.545 1.00 74.43 C ATOM 1180 OD1 ASP A 191 6.112 3.116 -7.733 1.00 52.43 O ATOM 1181 OD2 ASP A 191 6.490 1.127 -8.587 1.00 62.12 O ATOM 0 H ASP A 191 9.164 5.567 -8.484 1.00 63.33 H new ATOM 0 HA ASP A 191 8.767 3.502 -7.765 1.00 34.24 H new ATOM 0 HB2 ASP A 191 7.172 3.772 -10.078 1.00 31.32 H new ATOM 0 HB3 ASP A 191 7.954 2.214 -10.262 1.00 31.32 H new ATOM 1186 N GLN A 192 11.306 3.234 -9.157 1.00 15.31 N ATOM 1187 CA GLN A 192 12.532 2.505 -9.457 1.00 41.31 C ATOM 1188 C GLN A 192 13.581 2.736 -8.375 1.00 5.52 C ATOM 1189 O GLN A 192 13.361 3.502 -7.435 1.00 22.30 O ATOM 1190 CB GLN A 192 13.084 2.932 -10.818 1.00 72.05 C ATOM 1191 CG GLN A 192 12.670 2.014 -11.957 1.00 52.35 C ATOM 1192 CD GLN A 192 13.726 1.915 -13.040 1.00 61.03 C ATOM 1193 OE1 GLN A 192 14.287 0.845 -13.280 1.00 42.51 O ATOM 1194 NE2 GLN A 192 14.003 3.033 -13.702 1.00 31.41 N ATOM 0 H GLN A 192 11.445 4.220 -8.937 1.00 15.31 H new ATOM 0 HA GLN A 192 12.295 1.442 -9.486 1.00 41.31 H new ATOM 0 HB2 GLN A 192 12.745 3.945 -11.037 1.00 72.05 H new ATOM 0 HB3 GLN A 192 14.172 2.964 -10.766 1.00 72.05 H new ATOM 0 HG2 GLN A 192 12.467 1.019 -11.561 1.00 52.35 H new ATOM 0 HG3 GLN A 192 11.740 2.379 -12.394 1.00 52.35 H new ATOM 0 HE21 GLN A 192 13.514 3.897 -13.470 1.00 31.41 H new ATOM 0 HE22 GLN A 192 14.705 3.027 -14.442 1.00 31.41 H new ATOM 1203 N LEU A 193 14.723 2.071 -8.512 1.00 74.44 N ATOM 1204 CA LEU A 193 15.807 2.203 -7.546 1.00 2.12 C ATOM 1205 C LEU A 193 16.767 3.316 -7.953 1.00 50.45 C ATOM 1206 O LEU A 193 16.949 3.588 -9.141 1.00 25.04 O ATOM 1207 CB LEU A 193 16.566 0.881 -7.417 1.00 44.41 C ATOM 1208 CG LEU A 193 16.000 -0.123 -6.413 1.00 73.12 C ATOM 1209 CD1 LEU A 193 16.455 -1.534 -6.754 1.00 51.55 C ATOM 1210 CD2 LEU A 193 16.416 0.246 -4.997 1.00 22.42 C ATOM 0 H LEU A 193 14.922 1.434 -9.284 1.00 74.44 H new ATOM 0 HA LEU A 193 15.371 2.460 -6.581 1.00 2.12 H new ATOM 0 HB2 LEU A 193 16.597 0.406 -8.397 1.00 44.41 H new ATOM 0 HB3 LEU A 193 17.596 1.102 -7.138 1.00 44.41 H new ATOM 0 HG LEU A 193 14.912 -0.091 -6.470 1.00 73.12 H new ATOM 0 HD11 LEU A 193 16.042 -2.235 -6.028 1.00 51.55 H new ATOM 0 HD12 LEU A 193 16.106 -1.798 -7.752 1.00 51.55 H new ATOM 0 HD13 LEU A 193 17.544 -1.582 -6.726 1.00 51.55 H new ATOM 0 HD21 LEU A 193 16.004 -0.480 -4.296 1.00 22.42 H new ATOM 0 HD22 LEU A 193 17.504 0.243 -4.925 1.00 22.42 H new ATOM 0 HD23 LEU A 193 16.039 1.239 -4.754 1.00 22.42 H new ATOM 1222 N ILE A 194 17.379 3.955 -6.962 1.00 51.42 N ATOM 1223 CA ILE A 194 18.322 5.036 -7.218 1.00 44.53 C ATOM 1224 C ILE A 194 19.402 5.090 -6.142 1.00 52.45 C ATOM 1225 O ILE A 194 19.338 4.320 -5.186 1.00 30.21 O ATOM 1226 CB ILE A 194 17.611 6.401 -7.285 1.00 31.24 C ATOM 1227 CG1 ILE A 194 16.905 6.698 -5.960 1.00 25.53 C ATOM 1228 CG2 ILE A 194 16.618 6.425 -8.437 1.00 33.42 C ATOM 1229 CD1 ILE A 194 16.457 8.136 -5.823 1.00 23.23 C ATOM 0 H ILE A 194 17.239 3.743 -5.974 1.00 51.42 H new ATOM 0 HA ILE A 194 18.784 4.829 -8.183 1.00 44.53 H new ATOM 0 HB ILE A 194 18.358 7.175 -7.459 1.00 31.24 H new ATOM 0 HG12 ILE A 194 16.037 6.045 -5.866 1.00 25.53 H new ATOM 0 HG13 ILE A 194 17.577 6.455 -5.137 1.00 25.53 H new ATOM 0 HG21 ILE A 194 16.124 7.396 -8.471 1.00 33.42 H new ATOM 0 HG22 ILE A 194 17.145 6.253 -9.375 1.00 33.42 H new ATOM 0 HG23 ILE A 194 15.872 5.643 -8.291 1.00 33.42 H new ATOM 0 HD11 ILE A 194 15.965 8.274 -4.860 1.00 23.23 H new ATOM 0 HD12 ILE A 194 17.323 8.794 -5.885 1.00 23.23 H new ATOM 0 HD13 ILE A 194 15.759 8.378 -6.625 1.00 23.23 H new ATOM 1241 N CYS A 195 20.358 5.990 -6.319 1.00 1.33 N ATOM 1242 CA CYS A 195 21.438 6.133 -5.357 1.00 13.22 C ATOM 1243 C CYS A 195 21.257 7.465 -4.626 1.00 41.32 C ATOM 1244 O CYS A 195 20.732 8.439 -5.165 1.00 71.02 O ATOM 1245 CB CYS A 195 22.809 6.031 -6.027 1.00 5.23 C ATOM 1246 SG CYS A 195 23.145 7.544 -7.000 1.00 53.21 S ATOM 0 H CYS A 195 20.407 6.627 -7.114 1.00 1.33 H new ATOM 0 HA CYS A 195 21.397 5.316 -4.636 1.00 13.22 H new ATOM 0 HB2 CYS A 195 23.583 5.895 -5.271 1.00 5.23 H new ATOM 0 HB3 CYS A 195 22.841 5.156 -6.677 1.00 5.23 H new ATOM 0 HG CYS A 195 24.313 7.447 -7.563 1.00 53.21 H new ATOM 1251 N ALA A 196 21.708 7.486 -3.376 1.00 40.02 N ATOM 1252 CA ALA A 196 21.611 8.682 -2.549 1.00 10.11 C ATOM 1253 C ALA A 196 22.281 9.873 -3.225 1.00 42.31 C ATOM 1254 O ALA A 196 21.888 11.022 -3.015 1.00 24.32 O ATOM 1255 CB ALA A 196 22.231 8.431 -1.183 1.00 24.55 C ATOM 0 H ALA A 196 22.144 6.688 -2.914 1.00 40.02 H new ATOM 0 HA ALA A 196 20.555 8.918 -2.419 1.00 10.11 H new ATOM 0 HB1 ALA A 196 22.151 9.333 -0.576 1.00 24.55 H new ATOM 0 HB2 ALA A 196 21.705 7.614 -0.689 1.00 24.55 H new ATOM 0 HB3 ALA A 196 23.281 8.166 -1.303 1.00 24.55 H new ATOM 1261 N LEU A 197 23.295 9.593 -4.037 1.00 13.40 N ATOM 1262 CA LEU A 197 24.021 10.643 -4.744 1.00 72.42 C ATOM 1263 C LEU A 197 23.130 11.314 -5.785 1.00 4.43 C ATOM 1264 O LEU A 197 23.412 12.445 -6.178 1.00 43.15 O ATOM 1265 CB LEU A 197 25.265 10.063 -5.419 1.00 62.11 C ATOM 1266 CG LEU A 197 26.358 11.067 -5.787 1.00 63.20 C ATOM 1267 CD1 LEU A 197 27.170 11.447 -4.558 1.00 73.32 C ATOM 1268 CD2 LEU A 197 27.263 10.497 -6.870 1.00 54.33 C ATOM 0 H LEU A 197 23.633 8.649 -4.222 1.00 13.40 H new ATOM 0 HA LEU A 197 24.327 11.394 -4.016 1.00 72.42 H new ATOM 0 HB2 LEU A 197 25.697 9.313 -4.757 1.00 62.11 H new ATOM 0 HB3 LEU A 197 24.954 9.546 -6.327 1.00 62.11 H new ATOM 0 HG LEU A 197 25.882 11.967 -6.175 1.00 63.20 H new ATOM 0 HD11 LEU A 197 27.943 12.162 -4.839 1.00 73.32 H new ATOM 0 HD12 LEU A 197 26.514 11.897 -3.813 1.00 73.32 H new ATOM 0 HD13 LEU A 197 27.636 10.555 -4.140 1.00 73.32 H new ATOM 0 HD21 LEU A 197 28.035 11.225 -7.119 1.00 54.33 H new ATOM 0 HD22 LEU A 197 27.731 9.581 -6.508 1.00 54.33 H new ATOM 0 HD23 LEU A 197 26.672 10.276 -7.759 1.00 54.33 H new ATOM 1280 N CYS A 198 22.086 10.614 -6.201 1.00 31.52 N ATOM 1281 CA CYS A 198 21.168 11.154 -7.189 1.00 35.04 C ATOM 1282 C CYS A 198 20.204 12.107 -6.478 1.00 44.22 C ATOM 1283 O CYS A 198 19.836 13.165 -6.989 1.00 75.35 O ATOM 1284 CB CYS A 198 20.425 10.045 -7.937 1.00 12.12 C ATOM 1285 SG CYS A 198 21.415 9.486 -9.371 1.00 13.21 S ATOM 0 H CYS A 198 21.855 9.677 -5.872 1.00 31.52 H new ATOM 0 HA CYS A 198 21.727 11.702 -7.947 1.00 35.04 H new ATOM 0 HB2 CYS A 198 20.235 9.207 -7.267 1.00 12.12 H new ATOM 0 HB3 CYS A 198 19.455 10.409 -8.274 1.00 12.12 H new ATOM 0 HG CYS A 198 22.318 8.641 -8.972 1.00 13.21 H new ATOM 1290 N LYS A 199 19.802 11.707 -5.277 1.00 72.50 N ATOM 1291 CA LYS A 199 18.884 12.504 -4.472 1.00 23.13 C ATOM 1292 C LYS A 199 19.592 13.721 -3.885 1.00 24.33 C ATOM 1293 O LYS A 199 18.958 14.729 -3.570 1.00 23.33 O ATOM 1294 CB LYS A 199 18.291 11.654 -3.346 1.00 74.11 C ATOM 1295 CG LYS A 199 16.934 12.141 -2.867 1.00 70.10 C ATOM 1296 CD LYS A 199 16.703 11.797 -1.405 1.00 54.31 C ATOM 1297 CE LYS A 199 17.393 12.790 -0.483 1.00 43.41 C ATOM 1298 NZ LYS A 199 18.210 12.106 0.557 1.00 0.13 N ATOM 0 H LYS A 199 20.098 10.835 -4.839 1.00 72.50 H new ATOM 0 HA LYS A 199 18.079 12.851 -5.120 1.00 23.13 H new ATOM 0 HB2 LYS A 199 18.197 10.624 -3.690 1.00 74.11 H new ATOM 0 HB3 LYS A 199 18.983 11.647 -2.504 1.00 74.11 H new ATOM 0 HG2 LYS A 199 16.865 13.220 -3.003 1.00 70.10 H new ATOM 0 HG3 LYS A 199 16.149 11.692 -3.476 1.00 70.10 H new ATOM 0 HD2 LYS A 199 15.633 11.788 -1.197 1.00 54.31 H new ATOM 0 HD3 LYS A 199 17.075 10.792 -1.203 1.00 54.31 H new ATOM 0 HE2 LYS A 199 18.032 13.449 -1.071 1.00 43.41 H new ATOM 0 HE3 LYS A 199 16.644 13.419 -0.001 1.00 43.41 H new ATOM 0 HZ1 LYS A 199 18.664 12.817 1.165 1.00 0.13 H new ATOM 0 HZ2 LYS A 199 17.597 11.497 1.135 1.00 0.13 H new ATOM 0 HZ3 LYS A 199 18.941 11.526 0.098 1.00 0.13 H new ATOM 1312 N LEU A 200 20.909 13.621 -3.741 1.00 43.15 N ATOM 1313 CA LEU A 200 21.704 14.715 -3.194 1.00 22.23 C ATOM 1314 C LEU A 200 21.927 15.803 -4.239 1.00 64.33 C ATOM 1315 O LEU A 200 21.633 16.975 -4.004 1.00 75.51 O ATOM 1316 CB LEU A 200 23.050 14.191 -2.691 1.00 25.12 C ATOM 1317 CG LEU A 200 23.562 14.799 -1.384 1.00 73.22 C ATOM 1318 CD1 LEU A 200 23.183 13.920 -0.202 1.00 61.34 C ATOM 1319 CD2 LEU A 200 25.069 14.997 -1.442 1.00 43.42 C ATOM 0 H LEU A 200 21.449 12.794 -3.995 1.00 43.15 H new ATOM 0 HA LEU A 200 21.154 15.148 -2.358 1.00 22.23 H new ATOM 0 HB2 LEU A 200 22.971 13.112 -2.560 1.00 25.12 H new ATOM 0 HB3 LEU A 200 23.797 14.364 -3.466 1.00 25.12 H new ATOM 0 HG LEU A 200 23.093 15.774 -1.251 1.00 73.22 H new ATOM 0 HD11 LEU A 200 23.556 14.368 0.719 1.00 61.34 H new ATOM 0 HD12 LEU A 200 22.098 13.830 -0.149 1.00 61.34 H new ATOM 0 HD13 LEU A 200 23.623 12.931 -0.328 1.00 61.34 H new ATOM 0 HD21 LEU A 200 25.415 15.430 -0.504 1.00 43.42 H new ATOM 0 HD22 LEU A 200 25.557 14.035 -1.599 1.00 43.42 H new ATOM 0 HD23 LEU A 200 25.316 15.668 -2.265 1.00 43.42 H new ATOM 1331 N VAL A 201 22.449 15.406 -5.396 1.00 55.32 N ATOM 1332 CA VAL A 201 22.708 16.347 -6.480 1.00 22.42 C ATOM 1333 C VAL A 201 21.465 17.168 -6.805 1.00 23.34 C ATOM 1334 O VAL A 201 21.553 18.363 -7.080 1.00 51.41 O ATOM 1335 CB VAL A 201 23.177 15.619 -7.754 1.00 11.20 C ATOM 1336 CG1 VAL A 201 23.398 16.612 -8.885 1.00 62.10 C ATOM 1337 CG2 VAL A 201 24.443 14.823 -7.477 1.00 61.10 C ATOM 0 H VAL A 201 22.701 14.440 -5.606 1.00 55.32 H new ATOM 0 HA VAL A 201 23.500 17.013 -6.138 1.00 22.42 H new ATOM 0 HB VAL A 201 22.397 14.922 -8.062 1.00 11.20 H new ATOM 0 HG11 VAL A 201 23.729 16.080 -9.777 1.00 62.10 H new ATOM 0 HG12 VAL A 201 22.465 17.133 -9.099 1.00 62.10 H new ATOM 0 HG13 VAL A 201 24.159 17.335 -8.591 1.00 62.10 H new ATOM 0 HG21 VAL A 201 24.760 14.315 -8.388 1.00 61.10 H new ATOM 0 HG22 VAL A 201 25.232 15.498 -7.144 1.00 61.10 H new ATOM 0 HG23 VAL A 201 24.246 14.085 -6.700 1.00 61.10 H new ATOM 1347 N GLY A 202 20.307 16.516 -6.770 1.00 14.43 N ATOM 1348 CA GLY A 202 19.061 17.202 -7.062 1.00 63.11 C ATOM 1349 C GLY A 202 18.212 16.456 -8.072 1.00 31.33 C ATOM 1350 O GLY A 202 17.029 16.753 -8.238 1.00 32.12 O ATOM 0 H GLY A 202 20.209 15.526 -6.545 1.00 14.43 H new ATOM 0 HA2 GLY A 202 18.495 17.329 -6.139 1.00 63.11 H new ATOM 0 HA3 GLY A 202 19.280 18.200 -7.442 1.00 63.11 H new ATOM 1354 N ARG A 203 18.816 15.485 -8.749 1.00 3.01 N ATOM 1355 CA ARG A 203 18.108 14.696 -9.750 1.00 1.23 C ATOM 1356 C ARG A 203 16.814 14.125 -9.176 1.00 45.23 C ATOM 1357 O ARG A 203 15.838 13.923 -9.899 1.00 44.24 O ATOM 1358 CB ARG A 203 18.998 13.561 -10.258 1.00 60.43 C ATOM 1359 CG ARG A 203 19.875 13.955 -11.435 1.00 64.22 C ATOM 1360 CD ARG A 203 20.903 12.879 -11.749 1.00 30.40 C ATOM 1361 NE ARG A 203 22.256 13.421 -11.832 1.00 2.41 N ATOM 1362 CZ ARG A 203 22.695 14.150 -12.853 1.00 33.43 C ATOM 1363 NH1 ARG A 203 21.891 14.421 -13.871 1.00 73.04 N ATOM 1364 NH2 ARG A 203 23.940 14.608 -12.856 1.00 12.34 N ATOM 0 H ARG A 203 19.794 15.226 -8.622 1.00 3.01 H new ATOM 0 HA ARG A 203 17.857 15.352 -10.583 1.00 1.23 H new ATOM 0 HB2 ARG A 203 19.633 13.216 -9.442 1.00 60.43 H new ATOM 0 HB3 ARG A 203 18.369 12.720 -10.550 1.00 60.43 H new ATOM 0 HG2 ARG A 203 19.252 14.131 -12.312 1.00 64.22 H new ATOM 0 HG3 ARG A 203 20.384 14.893 -11.213 1.00 64.22 H new ATOM 0 HD2 ARG A 203 20.868 12.109 -10.979 1.00 30.40 H new ATOM 0 HD3 ARG A 203 20.647 12.398 -12.693 1.00 30.40 H new ATOM 0 HE ARG A 203 22.900 13.230 -11.064 1.00 2.41 H new ATOM 0 HH11 ARG A 203 20.933 14.070 -13.872 1.00 73.04 H new ATOM 0 HH12 ARG A 203 22.230 14.981 -14.654 1.00 73.04 H new ATOM 0 HH21 ARG A 203 24.562 14.401 -12.074 1.00 12.34 H new ATOM 0 HH22 ARG A 203 24.276 15.167 -13.640 1.00 12.34 H new ATOM 1378 N HIS A 204 16.815 13.867 -7.872 1.00 74.44 N ATOM 1379 CA HIS A 204 15.641 13.319 -7.202 1.00 20.25 C ATOM 1380 C HIS A 204 15.378 14.046 -5.887 1.00 12.44 C ATOM 1381 O HIS A 204 14.901 13.450 -4.921 1.00 14.31 O ATOM 1382 CB HIS A 204 15.827 11.824 -6.942 1.00 24.40 C ATOM 1383 CG HIS A 204 16.010 11.017 -8.191 1.00 13.03 C ATOM 1384 ND1 HIS A 204 15.059 10.138 -8.664 1.00 73.05 N ATOM 1385 CD2 HIS A 204 17.041 10.961 -9.066 1.00 54.41 C ATOM 1386 CE1 HIS A 204 15.498 9.575 -9.776 1.00 55.22 C ATOM 1387 NE2 HIS A 204 16.698 10.058 -10.042 1.00 52.20 N ATOM 0 H HIS A 204 17.614 14.028 -7.259 1.00 74.44 H new ATOM 0 HA HIS A 204 14.781 13.462 -7.856 1.00 20.25 H new ATOM 0 HB2 HIS A 204 16.694 11.681 -6.297 1.00 24.40 H new ATOM 0 HB3 HIS A 204 14.960 11.447 -6.400 1.00 24.40 H new ATOM 0 HD2 HIS A 204 17.962 11.522 -9.008 1.00 54.41 H new ATOM 0 HE1 HIS A 204 14.966 8.844 -10.367 1.00 55.22 H new ATOM 0 HE2 HIS A 204 17.276 9.802 -10.842 1.00 52.20 H new ATOM 1394 N ARG A 205 15.693 15.337 -5.857 1.00 14.31 N ATOM 1395 CA ARG A 205 15.492 16.145 -4.660 1.00 51.31 C ATOM 1396 C ARG A 205 14.005 16.319 -4.365 1.00 10.14 C ATOM 1397 O ARG A 205 13.544 16.032 -3.260 1.00 12.23 O ATOM 1398 CB ARG A 205 16.153 17.515 -4.827 1.00 21.34 C ATOM 1399 CG ARG A 205 17.294 17.763 -3.853 1.00 73.31 C ATOM 1400 CD ARG A 205 17.673 19.234 -3.803 1.00 1.43 C ATOM 1401 NE ARG A 205 18.450 19.559 -2.609 1.00 74.11 N ATOM 1402 CZ ARG A 205 19.123 20.694 -2.456 1.00 73.14 C ATOM 1403 NH1 ARG A 205 19.114 21.608 -3.417 1.00 21.13 N ATOM 1404 NH2 ARG A 205 19.806 20.916 -1.341 1.00 11.51 N ATOM 0 H ARG A 205 16.088 15.846 -6.648 1.00 14.31 H new ATOM 0 HA ARG A 205 15.953 15.626 -3.820 1.00 51.31 H new ATOM 0 HB2 ARG A 205 16.530 17.606 -5.846 1.00 21.34 H new ATOM 0 HB3 ARG A 205 15.399 18.291 -4.696 1.00 21.34 H new ATOM 0 HG2 ARG A 205 17.004 17.427 -2.858 1.00 73.31 H new ATOM 0 HG3 ARG A 205 18.161 17.172 -4.149 1.00 73.31 H new ATOM 0 HD2 ARG A 205 18.250 19.490 -4.692 1.00 1.43 H new ATOM 0 HD3 ARG A 205 16.769 19.842 -3.824 1.00 1.43 H new ATOM 0 HE ARG A 205 18.477 18.877 -1.851 1.00 74.11 H new ATOM 0 HH11 ARG A 205 18.590 21.440 -4.276 1.00 21.13 H new ATOM 0 HH12 ARG A 205 19.631 22.479 -3.297 1.00 21.13 H new ATOM 0 HH21 ARG A 205 19.815 20.215 -0.600 1.00 11.51 H new ATOM 0 HH22 ARG A 205 20.323 21.788 -1.224 1.00 11.51 H new ATOM 1418 N ASP A 206 13.261 16.791 -5.359 1.00 32.13 N ATOM 1419 CA ASP A 206 11.826 17.003 -5.206 1.00 21.41 C ATOM 1420 C ASP A 206 11.079 15.673 -5.193 1.00 31.35 C ATOM 1421 O ASP A 206 9.881 15.624 -4.911 1.00 50.52 O ATOM 1422 CB ASP A 206 11.297 17.888 -6.335 1.00 75.01 C ATOM 1423 CG ASP A 206 11.162 19.339 -5.918 1.00 54.31 C ATOM 1424 OD1 ASP A 206 12.198 19.972 -5.629 1.00 65.10 O ATOM 1425 OD2 ASP A 206 10.019 19.842 -5.880 1.00 11.30 O ATOM 0 H ASP A 206 13.627 17.034 -6.279 1.00 32.13 H new ATOM 0 HA ASP A 206 11.657 17.504 -4.253 1.00 21.41 H new ATOM 0 HB2 ASP A 206 11.968 17.820 -7.191 1.00 75.01 H new ATOM 0 HB3 ASP A 206 10.326 17.515 -6.661 1.00 75.01 H new ATOM 1430 N HIS A 207 11.794 14.595 -5.500 1.00 32.14 N ATOM 1431 CA HIS A 207 11.198 13.264 -5.523 1.00 61.34 C ATOM 1432 C HIS A 207 11.036 12.716 -4.109 1.00 24.52 C ATOM 1433 O HIS A 207 11.820 13.037 -3.216 1.00 12.31 O ATOM 1434 CB HIS A 207 12.057 12.312 -6.356 1.00 44.25 C ATOM 1435 CG HIS A 207 11.839 12.444 -7.832 1.00 53.42 C ATOM 1436 ND1 HIS A 207 12.542 11.713 -8.766 1.00 21.12 N ATOM 1437 CD2 HIS A 207 10.988 13.228 -8.534 1.00 54.54 C ATOM 1438 CE1 HIS A 207 12.134 12.042 -9.978 1.00 43.53 C ATOM 1439 NE2 HIS A 207 11.191 12.960 -9.866 1.00 10.13 N ATOM 0 H HIS A 207 12.786 14.617 -5.736 1.00 32.14 H new ATOM 0 HA HIS A 207 10.211 13.343 -5.978 1.00 61.34 H new ATOM 0 HB2 HIS A 207 13.108 12.496 -6.134 1.00 44.25 H new ATOM 0 HB3 HIS A 207 11.843 11.286 -6.056 1.00 44.25 H new ATOM 0 HD1 HIS A 207 13.265 11.025 -8.554 1.00 21.12 H new ATOM 0 HD2 HIS A 207 10.281 13.933 -8.123 1.00 54.54 H new ATOM 0 HE1 HIS A 207 12.508 11.630 -10.904 1.00 43.53 H new ATOM 1446 N GLN A 208 10.015 11.887 -3.913 1.00 43.52 N ATOM 1447 CA GLN A 208 9.751 11.297 -2.607 1.00 20.53 C ATOM 1448 C GLN A 208 10.320 9.884 -2.523 1.00 73.21 C ATOM 1449 O GLN A 208 9.782 8.951 -3.119 1.00 73.42 O ATOM 1450 CB GLN A 208 8.247 11.271 -2.330 1.00 72.30 C ATOM 1451 CG GLN A 208 7.900 10.957 -0.884 1.00 14.54 C ATOM 1452 CD GLN A 208 6.544 10.295 -0.739 1.00 53.03 C ATOM 1453 OE1 GLN A 208 6.449 9.121 -0.381 1.00 75.21 O ATOM 1454 NE2 GLN A 208 5.485 11.046 -1.018 1.00 12.31 N ATOM 0 H GLN A 208 9.358 11.609 -4.642 1.00 43.52 H new ATOM 0 HA GLN A 208 10.241 11.912 -1.853 1.00 20.53 H new ATOM 0 HB2 GLN A 208 7.820 12.238 -2.595 1.00 72.30 H new ATOM 0 HB3 GLN A 208 7.780 10.528 -2.977 1.00 72.30 H new ATOM 0 HG2 GLN A 208 8.665 10.304 -0.464 1.00 14.54 H new ATOM 0 HG3 GLN A 208 7.914 11.879 -0.303 1.00 14.54 H new ATOM 0 HE21 GLN A 208 5.610 12.015 -1.311 1.00 12.31 H new ATOM 0 HE22 GLN A 208 4.547 10.654 -0.939 1.00 12.31 H new ATOM 1463 N VAL A 209 11.411 9.734 -1.780 1.00 24.44 N ATOM 1464 CA VAL A 209 12.053 8.434 -1.617 1.00 50.53 C ATOM 1465 C VAL A 209 11.897 7.919 -0.191 1.00 43.10 C ATOM 1466 O VAL A 209 11.378 8.617 0.679 1.00 55.31 O ATOM 1467 CB VAL A 209 13.552 8.501 -1.967 1.00 14.13 C ATOM 1468 CG1 VAL A 209 13.744 8.932 -3.413 1.00 3.24 C ATOM 1469 CG2 VAL A 209 14.278 9.444 -1.019 1.00 53.02 C ATOM 0 H VAL A 209 11.870 10.496 -1.281 1.00 24.44 H new ATOM 0 HA VAL A 209 11.558 7.748 -2.304 1.00 50.53 H new ATOM 0 HB VAL A 209 13.980 7.505 -1.851 1.00 14.13 H new ATOM 0 HG11 VAL A 209 14.809 8.974 -3.642 1.00 3.24 H new ATOM 0 HG12 VAL A 209 13.259 8.214 -4.074 1.00 3.24 H new ATOM 0 HG13 VAL A 209 13.302 9.918 -3.561 1.00 3.24 H new ATOM 0 HG21 VAL A 209 15.336 9.480 -1.280 1.00 53.02 H new ATOM 0 HG22 VAL A 209 13.850 10.443 -1.101 1.00 53.02 H new ATOM 0 HG23 VAL A 209 14.169 9.086 0.005 1.00 53.02 H new ATOM 1479 N ALA A 210 12.352 6.692 0.042 1.00 52.12 N ATOM 1480 CA ALA A 210 12.265 6.083 1.363 1.00 4.55 C ATOM 1481 C ALA A 210 13.640 5.647 1.858 1.00 64.13 C ATOM 1482 O ALA A 210 14.366 4.941 1.158 1.00 23.25 O ATOM 1483 CB ALA A 210 11.311 4.899 1.338 1.00 61.24 C ATOM 0 H ALA A 210 12.785 6.100 -0.667 1.00 52.12 H new ATOM 0 HA ALA A 210 11.879 6.831 2.055 1.00 4.55 H new ATOM 0 HB1 ALA A 210 11.257 4.455 2.332 1.00 61.24 H new ATOM 0 HB2 ALA A 210 10.319 5.237 1.037 1.00 61.24 H new ATOM 0 HB3 ALA A 210 11.672 4.156 0.627 1.00 61.24 H new ATOM 1489 N ALA A 211 13.992 6.072 3.067 1.00 41.44 N ATOM 1490 CA ALA A 211 15.280 5.724 3.654 1.00 14.05 C ATOM 1491 C ALA A 211 15.200 4.398 4.403 1.00 4.14 C ATOM 1492 O ALA A 211 14.691 4.335 5.523 1.00 3.34 O ATOM 1493 CB ALA A 211 15.752 6.831 4.586 1.00 55.04 C ATOM 0 H ALA A 211 13.403 6.658 3.659 1.00 41.44 H new ATOM 0 HA ALA A 211 16.002 5.613 2.845 1.00 14.05 H new ATOM 0 HB1 ALA A 211 16.715 6.558 5.017 1.00 55.04 H new ATOM 0 HB2 ALA A 211 15.856 7.759 4.025 1.00 55.04 H new ATOM 0 HB3 ALA A 211 15.023 6.970 5.385 1.00 55.04 H new