USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=23 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 137:sc= -0.152 USER MOD Set 1.2: A 204 HIS : no HD1:sc= -1.04 K(o=-0.25,f=-1.7) USER MOD Set 1.3: A 207 HIS : no HE2:sc= 0.942 K(o=-0.25,f=-8.8!) USER MOD Set 2.1: A 175 CYS SG : rot 151:sc= 0.164 USER MOD Set 2.2: A 178 HIS : no HD1:sc= -0.557 X(o=0.61,f=0.83) USER MOD Set 2.3: A 195 CYS SG : rot -44:sc= 0.387 USER MOD Set 2.4: A 198 CYS SG : rot 60:sc= 0.619 USER MOD Set 3.1: A 134 CYS SG : rot 33:sc= 1.22 USER MOD Set 3.2: A 137 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 149 THR OG1 : rot -70:sc= -0.308 USER MOD Set 3.4: A 150 HIS : no HE2:sc= -0.72 K(o=0.79,f=-2.8) USER MOD Set 3.5: A 159 HIS : no HE2:sc= 0.606 K(o=0.79,f=-5.8!) USER MOD Set 4.1: A 119 CYS SG : rot -156:sc= 0.085 USER MOD Set 4.2: A 122 CYS SG : rot -102:sc= 0.739 USER MOD Set 4.3: A 124 GLN : amide:sc= 0.514 K(o=2,f=0.39) USER MOD Set 4.4: A 128 GLN : amide:sc= -0.101 K(o=2,f=-0.26) USER MOD Set 4.5: A 142 CYS SG : rot -133:sc= 0.297 USER MOD Set 4.6: A 145 CYS SG : rot -147:sc= 0.486 USER MOD Set 5.1: A 133 THR OG1 : rot 91:sc= 0.259 USER MOD Set 5.2: A 140 SER OG : rot 58:sc= 0.63 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 132 LYS NZ :NH3+ -152:sc= -0.0895 (180deg=-1.14) USER MOD Single : A 136 THR OG1 : rot -170:sc= 0.00237 USER MOD Single : A 141 TYR OH : rot 180:sc= -0.485 USER MOD Single : A 147 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00753) USER MOD Single : A 174 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= -0.051 X(o=-0.051,f=-0.001) USER MOD Single : A 185 MET CE :methyl 140:sc= -0.0185 (180deg=-0.434) USER MOD Single : A 186 TYR OH : rot 86:sc= 0.572 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.8!) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 26 N LYS A 116 3.739 1.428 -5.066 1.00 20.13 N ATOM 27 CA LYS A 116 4.045 1.327 -6.488 1.00 11.12 C ATOM 28 C LYS A 116 3.146 2.250 -7.304 1.00 42.24 C ATOM 29 O LYS A 116 1.934 2.296 -7.096 1.00 74.05 O ATOM 30 CB LYS A 116 3.878 -0.117 -6.965 1.00 64.41 C ATOM 31 CG LYS A 116 4.892 -1.077 -6.365 1.00 52.34 C ATOM 32 CD LYS A 116 4.380 -2.507 -6.376 1.00 35.24 C ATOM 33 CE LYS A 116 4.389 -3.092 -7.780 1.00 33.55 C ATOM 34 NZ LYS A 116 4.916 -4.485 -7.796 1.00 72.14 N ATOM 0 HA LYS A 116 5.081 1.634 -6.634 1.00 11.12 H new ATOM 0 HB2 LYS A 116 2.874 -0.460 -6.715 1.00 64.41 H new ATOM 0 HB3 LYS A 116 3.963 -0.144 -8.051 1.00 64.41 H new ATOM 0 HG2 LYS A 116 5.825 -1.019 -6.926 1.00 52.34 H new ATOM 0 HG3 LYS A 116 5.116 -0.778 -5.341 1.00 52.34 H new ATOM 0 HD2 LYS A 116 4.998 -3.121 -5.721 1.00 35.24 H new ATOM 0 HD3 LYS A 116 3.367 -2.535 -5.976 1.00 35.24 H new ATOM 0 HE2 LYS A 116 3.377 -3.082 -8.184 1.00 33.55 H new ATOM 0 HE3 LYS A 116 4.999 -2.465 -8.431 1.00 33.55 H new ATOM 0 HZ1 LYS A 116 4.906 -4.849 -8.770 1.00 72.14 H new ATOM 0 HZ2 LYS A 116 5.891 -4.492 -7.434 1.00 72.14 H new ATOM 0 HZ3 LYS A 116 4.319 -5.089 -7.195 1.00 72.14 H new ATOM 48 N VAL A 117 3.748 2.984 -8.235 1.00 64.42 N ATOM 49 CA VAL A 117 3.002 3.904 -9.085 1.00 60.41 C ATOM 50 C VAL A 117 2.469 3.196 -10.326 1.00 21.02 C ATOM 51 O VAL A 117 3.173 2.402 -10.952 1.00 50.40 O ATOM 52 CB VAL A 117 3.873 5.096 -9.522 1.00 42.21 C ATOM 53 CG1 VAL A 117 4.998 4.630 -10.434 1.00 51.30 C ATOM 54 CG2 VAL A 117 3.022 6.154 -10.209 1.00 22.31 C ATOM 0 H VAL A 117 4.751 2.959 -8.419 1.00 64.42 H new ATOM 0 HA VAL A 117 2.165 4.273 -8.493 1.00 60.41 H new ATOM 0 HB VAL A 117 4.320 5.542 -8.633 1.00 42.21 H new ATOM 0 HG11 VAL A 117 5.603 5.486 -10.732 1.00 51.30 H new ATOM 0 HG12 VAL A 117 5.623 3.912 -9.903 1.00 51.30 H new ATOM 0 HG13 VAL A 117 4.575 4.158 -11.321 1.00 51.30 H new ATOM 0 HG21 VAL A 117 3.654 6.989 -10.511 1.00 22.31 H new ATOM 0 HG22 VAL A 117 2.545 5.722 -11.089 1.00 22.31 H new ATOM 0 HG23 VAL A 117 2.256 6.509 -9.519 1.00 22.31 H new ATOM 64 N LEU A 118 1.222 3.488 -10.677 1.00 13.41 N ATOM 65 CA LEU A 118 0.593 2.881 -11.845 1.00 20.45 C ATOM 66 C LEU A 118 0.953 3.643 -13.116 1.00 23.23 C ATOM 67 O LEU A 118 1.107 4.862 -13.063 1.00 43.14 O ATOM 68 CB LEU A 118 -0.926 2.846 -11.670 1.00 53.12 C ATOM 69 CG LEU A 118 -1.476 1.718 -10.796 1.00 52.24 C ATOM 70 CD1 LEU A 118 -2.659 2.208 -9.975 1.00 25.45 C ATOM 71 CD2 LEU A 118 -1.877 0.527 -11.654 1.00 31.53 C ATOM 0 H LEU A 118 0.626 4.142 -10.169 1.00 13.41 H new ATOM 0 HA LEU A 118 0.965 1.861 -11.938 1.00 20.45 H new ATOM 0 HB2 LEU A 118 -1.244 3.797 -11.243 1.00 53.12 H new ATOM 0 HB3 LEU A 118 -1.383 2.770 -12.656 1.00 53.12 H new ATOM 0 HG LEU A 118 -0.691 1.399 -10.110 1.00 52.24 H new ATOM 0 HD11 LEU A 118 -3.037 1.392 -9.359 1.00 25.45 H new ATOM 0 HD12 LEU A 118 -2.341 3.030 -9.333 1.00 25.45 H new ATOM 0 HD13 LEU A 118 -3.447 2.554 -10.643 1.00 25.45 H new ATOM 0 HD21 LEU A 118 -2.266 -0.266 -11.016 1.00 31.53 H new ATOM 0 HD22 LEU A 118 -2.646 0.832 -12.364 1.00 31.53 H new ATOM 0 HD23 LEU A 118 -1.006 0.161 -12.198 1.00 31.53 H new ATOM 83 N CYS A 119 1.076 2.917 -14.218 1.00 3.45 N ATOM 84 CA CYS A 119 1.415 3.537 -15.488 1.00 35.05 C ATOM 85 C CYS A 119 0.364 4.605 -15.796 1.00 15.31 C ATOM 86 O CYS A 119 -0.762 4.314 -16.201 1.00 3.45 O ATOM 87 CB CYS A 119 1.524 2.503 -16.610 1.00 52.11 C ATOM 88 SG CYS A 119 2.288 3.263 -18.089 1.00 11.31 S ATOM 0 H CYS A 119 0.947 1.906 -14.258 1.00 3.45 H new ATOM 0 HA CYS A 119 2.397 4.005 -15.417 1.00 35.05 H new ATOM 0 HB2 CYS A 119 2.122 1.655 -16.277 1.00 52.11 H new ATOM 0 HB3 CYS A 119 0.535 2.118 -16.858 1.00 52.11 H new ATOM 0 HG CYS A 119 1.940 2.595 -19.149 1.00 11.31 H new ATOM 93 N GLN A 120 0.760 5.858 -15.594 1.00 34.22 N ATOM 94 CA GLN A 120 -0.127 6.988 -15.841 1.00 53.34 C ATOM 95 C GLN A 120 -0.474 7.094 -17.323 1.00 31.12 C ATOM 96 O GLN A 120 -1.491 7.682 -17.693 1.00 23.24 O ATOM 97 CB GLN A 120 0.523 8.288 -15.364 1.00 31.13 C ATOM 98 CG GLN A 120 -0.461 9.435 -15.199 1.00 4.33 C ATOM 99 CD GLN A 120 0.137 10.614 -14.457 1.00 5.33 C ATOM 100 OE1 GLN A 120 0.285 11.703 -15.013 1.00 74.11 O ATOM 101 NE2 GLN A 120 0.486 10.404 -13.193 1.00 30.42 N ATOM 0 H GLN A 120 1.689 6.116 -15.260 1.00 34.22 H new ATOM 0 HA GLN A 120 -1.048 6.823 -15.281 1.00 53.34 H new ATOM 0 HB2 GLN A 120 1.021 8.107 -14.411 1.00 31.13 H new ATOM 0 HB3 GLN A 120 1.294 8.581 -16.076 1.00 31.13 H new ATOM 0 HG2 GLN A 120 -0.799 9.763 -16.182 1.00 4.33 H new ATOM 0 HG3 GLN A 120 -1.340 9.080 -14.661 1.00 4.33 H new ATOM 0 HE21 GLN A 120 0.346 9.486 -12.771 1.00 30.42 H new ATOM 0 HE22 GLN A 120 0.894 11.161 -12.644 1.00 30.42 H new ATOM 110 N PHE A 121 0.377 6.521 -18.167 1.00 24.00 N ATOM 111 CA PHE A 121 0.162 6.552 -19.609 1.00 33.21 C ATOM 112 C PHE A 121 -0.374 5.213 -20.107 1.00 61.15 C ATOM 113 O PHE A 121 0.034 4.760 -21.176 1.00 42.40 O ATOM 114 CB PHE A 121 1.465 6.894 -20.334 1.00 0.43 C ATOM 115 CG PHE A 121 1.280 7.841 -21.485 1.00 73.43 C ATOM 116 CD1 PHE A 121 0.872 9.147 -21.267 1.00 72.32 C ATOM 117 CD2 PHE A 121 1.514 7.424 -22.786 1.00 12.21 C ATOM 118 CE1 PHE A 121 0.700 10.019 -22.325 1.00 53.02 C ATOM 119 CE2 PHE A 121 1.344 8.292 -23.848 1.00 52.30 C ATOM 120 CZ PHE A 121 0.937 9.592 -23.617 1.00 62.31 C ATOM 0 H PHE A 121 1.222 6.029 -17.877 1.00 24.00 H new ATOM 0 HA PHE A 121 -0.578 7.323 -19.824 1.00 33.21 H new ATOM 0 HB2 PHE A 121 2.163 7.333 -19.621 1.00 0.43 H new ATOM 0 HB3 PHE A 121 1.920 5.974 -20.701 1.00 0.43 H new ATOM 0 HD1 PHE A 121 0.686 9.487 -20.259 1.00 72.32 H new ATOM 0 HD2 PHE A 121 1.833 6.409 -22.972 1.00 12.21 H new ATOM 0 HE1 PHE A 121 0.380 11.034 -22.142 1.00 53.02 H new ATOM 0 HE2 PHE A 121 1.529 7.955 -24.857 1.00 52.30 H new ATOM 0 HZ PHE A 121 0.804 10.273 -24.445 1.00 62.31 H new ATOM 130 N CYS A 122 -1.266 4.615 -19.331 1.00 41.22 N ATOM 131 CA CYS A 122 -1.845 3.336 -19.704 1.00 63.40 C ATOM 132 C CYS A 122 -3.339 3.540 -19.958 1.00 15.21 C ATOM 133 O CYS A 122 -4.032 4.255 -19.234 1.00 54.51 O ATOM 134 CB CYS A 122 -1.588 2.267 -18.640 1.00 25.12 C ATOM 135 SG CYS A 122 -0.539 0.936 -19.330 1.00 63.43 S ATOM 0 H CYS A 122 -1.602 4.993 -18.445 1.00 41.22 H new ATOM 0 HA CYS A 122 -1.370 2.971 -20.614 1.00 63.40 H new ATOM 0 HB2 CYS A 122 -1.100 2.714 -17.774 1.00 25.12 H new ATOM 0 HB3 CYS A 122 -2.535 1.852 -18.293 1.00 25.12 H new ATOM 0 HG CYS A 122 -1.280 -0.089 -19.631 1.00 63.43 H new ATOM 140 N ASP A 123 -3.824 2.891 -21.011 1.00 31.13 N ATOM 141 CA ASP A 123 -5.231 2.983 -21.384 1.00 62.54 C ATOM 142 C ASP A 123 -5.826 1.595 -21.605 1.00 0.34 C ATOM 143 O ASP A 123 -6.507 1.353 -22.601 1.00 2.32 O ATOM 144 CB ASP A 123 -5.390 3.826 -22.650 1.00 13.30 C ATOM 145 CG ASP A 123 -6.806 4.338 -22.830 1.00 72.43 C ATOM 146 OD1 ASP A 123 -7.600 4.236 -21.872 1.00 22.32 O ATOM 147 OD2 ASP A 123 -7.121 4.839 -23.930 1.00 62.12 O ATOM 0 H ASP A 123 -3.264 2.296 -21.621 1.00 31.13 H new ATOM 0 HA ASP A 123 -5.768 3.464 -20.566 1.00 62.54 H new ATOM 0 HB2 ASP A 123 -4.703 4.672 -22.609 1.00 13.30 H new ATOM 0 HB3 ASP A 123 -5.109 3.229 -23.518 1.00 13.30 H new ATOM 152 N GLN A 124 -5.563 0.689 -20.669 1.00 30.21 N ATOM 153 CA GLN A 124 -6.072 -0.675 -20.762 1.00 45.45 C ATOM 154 C GLN A 124 -7.433 -0.796 -20.086 1.00 2.54 C ATOM 155 O GLN A 124 -8.373 -1.349 -20.655 1.00 73.42 O ATOM 156 CB GLN A 124 -5.084 -1.655 -20.127 1.00 2.41 C ATOM 157 CG GLN A 124 -3.903 -1.995 -21.022 1.00 52.20 C ATOM 158 CD GLN A 124 -2.713 -2.520 -20.244 1.00 10.03 C ATOM 159 OE1 GLN A 124 -1.629 -1.937 -20.276 1.00 11.40 O ATOM 160 NE2 GLN A 124 -2.909 -3.628 -19.538 1.00 1.30 N ATOM 0 H GLN A 124 -5.001 0.874 -19.838 1.00 30.21 H new ATOM 0 HA GLN A 124 -6.189 -0.921 -21.817 1.00 45.45 H new ATOM 0 HB2 GLN A 124 -4.712 -1.230 -19.195 1.00 2.41 H new ATOM 0 HB3 GLN A 124 -5.611 -2.574 -19.870 1.00 2.41 H new ATOM 0 HG2 GLN A 124 -4.211 -2.741 -21.755 1.00 52.20 H new ATOM 0 HG3 GLN A 124 -3.605 -1.106 -21.578 1.00 52.20 H new ATOM 0 HE21 GLN A 124 -3.824 -4.079 -19.540 1.00 1.30 H new ATOM 0 HE22 GLN A 124 -2.145 -4.028 -18.994 1.00 1.30 H new ATOM 169 N ASP A 125 -7.531 -0.274 -18.868 1.00 24.44 N ATOM 170 CA ASP A 125 -8.777 -0.323 -18.113 1.00 35.32 C ATOM 171 C ASP A 125 -9.166 -1.765 -17.799 1.00 13.44 C ATOM 172 O ASP A 125 -9.924 -2.402 -18.530 1.00 32.43 O ATOM 173 CB ASP A 125 -9.899 0.362 -18.895 1.00 72.30 C ATOM 174 CG ASP A 125 -11.081 0.723 -18.016 1.00 62.55 C ATOM 175 OD1 ASP A 125 -10.859 1.298 -16.930 1.00 52.03 O ATOM 176 OD2 ASP A 125 -12.227 0.430 -18.415 1.00 53.25 O ATOM 0 H ASP A 125 -6.762 0.188 -18.383 1.00 24.44 H new ATOM 0 HA ASP A 125 -8.624 0.206 -17.172 1.00 35.32 H new ATOM 0 HB2 ASP A 125 -9.511 1.265 -19.366 1.00 72.30 H new ATOM 0 HB3 ASP A 125 -10.234 -0.297 -19.697 1.00 72.30 H new ATOM 181 N PRO A 126 -8.635 -2.292 -16.686 1.00 11.14 N ATOM 182 CA PRO A 126 -7.731 -1.542 -15.808 1.00 33.41 C ATOM 183 C PRO A 126 -6.373 -1.290 -16.454 1.00 13.21 C ATOM 184 O PRO A 126 -5.978 -1.992 -17.384 1.00 41.42 O ATOM 185 CB PRO A 126 -7.582 -2.456 -14.589 1.00 21.20 C ATOM 186 CG PRO A 126 -7.855 -3.826 -15.107 1.00 23.22 C ATOM 187 CD PRO A 126 -8.876 -3.661 -16.198 1.00 44.44 C ATOM 0 HA PRO A 126 -8.121 -0.552 -15.571 1.00 33.41 H new ATOM 0 HB2 PRO A 126 -6.582 -2.386 -14.162 1.00 21.20 H new ATOM 0 HB3 PRO A 126 -8.284 -2.183 -13.801 1.00 21.20 H new ATOM 0 HG2 PRO A 126 -6.945 -4.286 -15.491 1.00 23.22 H new ATOM 0 HG3 PRO A 126 -8.231 -4.475 -14.316 1.00 23.22 H new ATOM 0 HD2 PRO A 126 -8.742 -4.399 -16.989 1.00 44.44 H new ATOM 0 HD3 PRO A 126 -9.891 -3.780 -15.820 1.00 44.44 H new ATOM 195 N ALA A 127 -5.663 -0.284 -15.954 1.00 14.31 N ATOM 196 CA ALA A 127 -4.348 0.059 -16.481 1.00 54.41 C ATOM 197 C ALA A 127 -3.265 -0.826 -15.873 1.00 54.54 C ATOM 198 O ALA A 127 -3.542 -1.650 -15.003 1.00 20.22 O ATOM 199 CB ALA A 127 -4.042 1.527 -16.220 1.00 63.32 C ATOM 0 H ALA A 127 -5.977 0.308 -15.185 1.00 14.31 H new ATOM 0 HA ALA A 127 -4.358 -0.113 -17.557 1.00 54.41 H new ATOM 0 HB1 ALA A 127 -3.057 1.770 -16.619 1.00 63.32 H new ATOM 0 HB2 ALA A 127 -4.794 2.148 -16.707 1.00 63.32 H new ATOM 0 HB3 ALA A 127 -4.056 1.716 -15.147 1.00 63.32 H new ATOM 205 N GLN A 128 -2.033 -0.649 -16.339 1.00 11.42 N ATOM 206 CA GLN A 128 -0.909 -1.433 -15.841 1.00 72.01 C ATOM 207 C GLN A 128 -0.060 -0.615 -14.875 1.00 4.55 C ATOM 208 O GLN A 128 -0.360 0.547 -14.599 1.00 53.11 O ATOM 209 CB GLN A 128 -0.048 -1.924 -17.006 1.00 24.54 C ATOM 210 CG GLN A 128 0.278 -3.408 -16.938 1.00 53.11 C ATOM 211 CD GLN A 128 1.466 -3.785 -17.801 1.00 11.40 C ATOM 212 OE1 GLN A 128 2.496 -3.110 -17.788 1.00 20.32 O ATOM 213 NE2 GLN A 128 1.329 -4.867 -18.558 1.00 33.34 N ATOM 0 H GLN A 128 -1.788 0.030 -17.060 1.00 11.42 H new ATOM 0 HA GLN A 128 -1.308 -2.294 -15.305 1.00 72.01 H new ATOM 0 HB2 GLN A 128 -0.566 -1.717 -17.942 1.00 24.54 H new ATOM 0 HB3 GLN A 128 0.882 -1.356 -17.024 1.00 24.54 H new ATOM 0 HG2 GLN A 128 0.483 -3.684 -15.904 1.00 53.11 H new ATOM 0 HG3 GLN A 128 -0.593 -3.982 -17.254 1.00 53.11 H new ATOM 0 HE21 GLN A 128 0.458 -5.397 -18.538 1.00 33.34 H new ATOM 0 HE22 GLN A 128 2.095 -5.169 -19.160 1.00 33.34 H new ATOM 222 N ASP A 129 1.002 -1.228 -14.362 1.00 53.25 N ATOM 223 CA ASP A 129 1.896 -0.556 -13.427 1.00 14.33 C ATOM 224 C ASP A 129 3.262 -0.312 -14.060 1.00 52.22 C ATOM 225 O ASP A 129 3.792 -1.169 -14.766 1.00 75.41 O ATOM 226 CB ASP A 129 2.052 -1.386 -12.152 1.00 13.14 C ATOM 227 CG ASP A 129 2.936 -2.600 -12.356 1.00 22.10 C ATOM 228 OD1 ASP A 129 4.169 -2.468 -12.205 1.00 54.12 O ATOM 229 OD2 ASP A 129 2.396 -3.682 -12.668 1.00 21.34 O ATOM 0 H ASP A 129 1.264 -2.190 -14.579 1.00 53.25 H new ATOM 0 HA ASP A 129 1.457 0.408 -13.172 1.00 14.33 H new ATOM 0 HB2 ASP A 129 2.474 -0.761 -11.365 1.00 13.14 H new ATOM 0 HB3 ASP A 129 1.069 -1.709 -11.810 1.00 13.14 H new ATOM 234 N ALA A 130 3.826 0.864 -13.803 1.00 61.35 N ATOM 235 CA ALA A 130 5.131 1.220 -14.348 1.00 15.04 C ATOM 236 C ALA A 130 6.255 0.577 -13.543 1.00 61.24 C ATOM 237 O ALA A 130 6.396 0.824 -12.346 1.00 13.44 O ATOM 238 CB ALA A 130 5.296 2.732 -14.374 1.00 41.30 C ATOM 0 H ALA A 130 3.400 1.586 -13.221 1.00 61.35 H new ATOM 0 HA ALA A 130 5.188 0.841 -15.369 1.00 15.04 H new ATOM 0 HB1 ALA A 130 6.274 2.984 -14.783 1.00 41.30 H new ATOM 0 HB2 ALA A 130 4.518 3.172 -14.997 1.00 41.30 H new ATOM 0 HB3 ALA A 130 5.214 3.124 -13.360 1.00 41.30 H new ATOM 244 N VAL A 131 7.054 -0.251 -14.209 1.00 61.13 N ATOM 245 CA VAL A 131 8.167 -0.930 -13.556 1.00 51.12 C ATOM 246 C VAL A 131 9.505 -0.395 -14.053 1.00 41.42 C ATOM 247 O VAL A 131 10.558 -0.709 -13.498 1.00 33.55 O ATOM 248 CB VAL A 131 8.114 -2.451 -13.795 1.00 4.34 C ATOM 249 CG1 VAL A 131 6.785 -3.020 -13.322 1.00 4.10 C ATOM 250 CG2 VAL A 131 8.347 -2.768 -15.264 1.00 41.41 C ATOM 0 H VAL A 131 6.951 -0.468 -15.200 1.00 61.13 H new ATOM 0 HA VAL A 131 8.075 -0.734 -12.488 1.00 51.12 H new ATOM 0 HB VAL A 131 8.909 -2.920 -13.216 1.00 4.34 H new ATOM 0 HG11 VAL A 131 6.766 -4.095 -13.499 1.00 4.10 H new ATOM 0 HG12 VAL A 131 6.665 -2.825 -12.256 1.00 4.10 H new ATOM 0 HG13 VAL A 131 5.971 -2.547 -13.871 1.00 4.10 H new ATOM 0 HG21 VAL A 131 8.306 -3.847 -15.414 1.00 41.41 H new ATOM 0 HG22 VAL A 131 7.576 -2.288 -15.867 1.00 41.41 H new ATOM 0 HG23 VAL A 131 9.326 -2.397 -15.565 1.00 41.41 H new ATOM 260 N LYS A 132 9.458 0.418 -15.104 1.00 32.43 N ATOM 261 CA LYS A 132 10.666 1.000 -15.676 1.00 73.23 C ATOM 262 C LYS A 132 10.490 2.497 -15.911 1.00 31.24 C ATOM 263 O LYS A 132 9.382 3.026 -15.814 1.00 31.55 O ATOM 264 CB LYS A 132 11.017 0.304 -16.994 1.00 13.54 C ATOM 265 CG LYS A 132 11.950 -0.882 -16.825 1.00 42.23 C ATOM 266 CD LYS A 132 12.354 -1.468 -18.168 1.00 21.44 C ATOM 267 CE LYS A 132 13.752 -1.025 -18.572 1.00 32.13 C ATOM 268 NZ LYS A 132 13.994 -1.215 -20.029 1.00 23.13 N ATOM 0 H LYS A 132 8.595 0.688 -15.577 1.00 32.43 H new ATOM 0 HA LYS A 132 11.481 0.855 -14.967 1.00 73.23 H new ATOM 0 HB2 LYS A 132 10.098 -0.033 -17.473 1.00 13.54 H new ATOM 0 HB3 LYS A 132 11.480 1.027 -17.665 1.00 13.54 H new ATOM 0 HG2 LYS A 132 12.841 -0.571 -16.280 1.00 42.23 H new ATOM 0 HG3 LYS A 132 11.461 -1.649 -16.225 1.00 42.23 H new ATOM 0 HD2 LYS A 132 12.317 -2.556 -18.117 1.00 21.44 H new ATOM 0 HD3 LYS A 132 11.639 -1.160 -18.931 1.00 21.44 H new ATOM 0 HE2 LYS A 132 13.889 0.025 -18.315 1.00 32.13 H new ATOM 0 HE3 LYS A 132 14.491 -1.591 -18.004 1.00 32.13 H new ATOM 0 HZ1 LYS A 132 15.009 -1.368 -20.195 1.00 23.13 H new ATOM 0 HZ2 LYS A 132 13.460 -2.042 -20.365 1.00 23.13 H new ATOM 0 HZ3 LYS A 132 13.682 -0.368 -20.546 1.00 23.13 H new ATOM 282 N THR A 133 11.590 3.176 -16.221 1.00 71.11 N ATOM 283 CA THR A 133 11.557 4.612 -16.470 1.00 21.44 C ATOM 284 C THR A 133 12.716 5.042 -17.362 1.00 31.24 C ATOM 285 O THR A 133 13.859 4.689 -17.075 1.00 10.11 O ATOM 286 CB THR A 133 11.613 5.411 -15.154 1.00 34.10 C ATOM 287 OG1 THR A 133 10.625 4.920 -14.241 1.00 10.24 O ATOM 288 CG2 THR A 133 11.382 6.892 -15.411 1.00 12.43 C ATOM 0 H THR A 133 12.515 2.754 -16.306 1.00 71.11 H new ATOM 0 HA THR A 133 10.615 4.824 -16.976 1.00 21.44 H new ATOM 0 HB THR A 133 12.604 5.284 -14.719 1.00 34.10 H new ATOM 0 HG1 THR A 133 11.017 4.218 -13.681 1.00 10.24 H new ATOM 0 HG21 THR A 133 11.426 7.436 -14.468 1.00 12.43 H new ATOM 0 HG22 THR A 133 12.152 7.269 -16.084 1.00 12.43 H new ATOM 0 HG23 THR A 133 10.402 7.034 -15.866 1.00 12.43 H new ATOM 296 N CYS A 134 12.401 5.786 -18.411 1.00 44.44 N ATOM 297 CA CYS A 134 13.425 6.255 -19.330 1.00 72.34 C ATOM 298 C CYS A 134 13.804 7.684 -18.939 1.00 53.53 C ATOM 299 O CYS A 134 12.955 8.556 -18.748 1.00 65.01 O ATOM 300 CB CYS A 134 12.962 6.165 -20.786 1.00 20.20 C ATOM 301 SG CYS A 134 14.235 6.875 -21.892 1.00 70.14 S ATOM 0 H CYS A 134 11.452 6.076 -18.646 1.00 44.44 H new ATOM 0 HA CYS A 134 14.304 5.615 -19.257 1.00 72.34 H new ATOM 0 HB2 CYS A 134 12.775 5.125 -21.053 1.00 20.20 H new ATOM 0 HB3 CYS A 134 12.021 6.700 -20.911 1.00 20.20 H new ATOM 0 HG CYS A 134 15.415 6.659 -21.391 1.00 70.14 H new ATOM 306 N VAL A 135 15.109 7.908 -18.824 1.00 0.12 N ATOM 307 CA VAL A 135 15.631 9.220 -18.459 1.00 34.34 C ATOM 308 C VAL A 135 15.493 10.207 -19.612 1.00 72.45 C ATOM 309 O VAL A 135 14.983 11.314 -19.440 1.00 4.52 O ATOM 310 CB VAL A 135 17.111 9.139 -18.041 1.00 31.31 C ATOM 311 CG1 VAL A 135 17.567 10.456 -17.433 1.00 43.32 C ATOM 312 CG2 VAL A 135 17.327 7.990 -17.067 1.00 62.15 C ATOM 0 H VAL A 135 15.825 7.198 -18.978 1.00 0.12 H new ATOM 0 HA VAL A 135 15.041 9.571 -17.612 1.00 34.34 H new ATOM 0 HB VAL A 135 17.712 8.950 -18.930 1.00 31.31 H new ATOM 0 HG11 VAL A 135 18.615 10.380 -17.144 1.00 43.32 H new ATOM 0 HG12 VAL A 135 17.450 11.255 -18.165 1.00 43.32 H new ATOM 0 HG13 VAL A 135 16.963 10.679 -16.553 1.00 43.32 H new ATOM 0 HG21 VAL A 135 18.378 7.947 -16.782 1.00 62.15 H new ATOM 0 HG22 VAL A 135 16.716 8.147 -16.178 1.00 62.15 H new ATOM 0 HG23 VAL A 135 17.042 7.052 -17.542 1.00 62.15 H new ATOM 322 N THR A 136 15.950 9.797 -20.792 1.00 11.31 N ATOM 323 CA THR A 136 15.879 10.645 -21.975 1.00 54.12 C ATOM 324 C THR A 136 14.441 11.057 -22.270 1.00 40.25 C ATOM 325 O THR A 136 14.230 12.069 -22.937 1.00 1.52 O ATOM 326 CB THR A 136 16.461 9.934 -23.211 1.00 41.35 C ATOM 327 OG1 THR A 136 17.698 9.297 -22.873 1.00 34.34 O ATOM 328 CG2 THR A 136 16.688 10.922 -24.346 1.00 60.54 C ATOM 0 H THR A 136 16.373 8.883 -20.953 1.00 11.31 H new ATOM 0 HA THR A 136 16.473 11.534 -21.763 1.00 54.12 H new ATOM 0 HB THR A 136 15.744 9.182 -23.541 1.00 41.35 H new ATOM 0 HG1 THR A 136 18.139 8.984 -23.690 1.00 34.34 H new ATOM 0 HG21 THR A 136 17.099 10.397 -25.208 1.00 60.54 H new ATOM 0 HG22 THR A 136 15.740 11.384 -24.621 1.00 60.54 H new ATOM 0 HG23 THR A 136 17.387 11.693 -24.023 1.00 60.54 H new ATOM 336 N CYS A 137 13.494 10.275 -21.774 1.00 61.43 N ATOM 337 CA CYS A 137 12.088 10.571 -21.992 1.00 23.40 C ATOM 338 C CYS A 137 11.601 11.459 -20.846 1.00 4.42 C ATOM 339 O CYS A 137 10.668 12.249 -20.985 1.00 33.32 O ATOM 340 CB CYS A 137 11.254 9.294 -22.118 1.00 63.01 C ATOM 341 SG CYS A 137 11.413 8.607 -23.807 1.00 24.23 S ATOM 0 H CYS A 137 13.673 9.436 -21.222 1.00 61.43 H new ATOM 0 HA CYS A 137 11.968 11.100 -22.937 1.00 23.40 H new ATOM 0 HB2 CYS A 137 11.586 8.559 -21.385 1.00 63.01 H new ATOM 0 HB3 CYS A 137 10.208 9.510 -21.901 1.00 63.01 H new ATOM 0 HG CYS A 137 10.703 7.522 -23.903 1.00 24.23 H new ATOM 346 N GLU A 138 12.261 11.312 -19.701 1.00 70.31 N ATOM 347 CA GLU A 138 11.915 12.087 -18.516 1.00 4.15 C ATOM 348 C GLU A 138 10.531 11.704 -17.999 1.00 65.12 C ATOM 349 O GLU A 138 9.810 12.535 -17.447 1.00 42.24 O ATOM 350 CB GLU A 138 11.959 13.584 -18.828 1.00 13.42 C ATOM 351 CG GLU A 138 12.563 14.421 -17.713 1.00 11.41 C ATOM 352 CD GLU A 138 12.039 15.844 -17.702 1.00 42.52 C ATOM 353 OE1 GLU A 138 12.314 16.584 -18.670 1.00 44.40 O ATOM 354 OE2 GLU A 138 11.355 16.218 -16.727 1.00 52.20 O ATOM 0 H GLU A 138 13.037 10.664 -19.570 1.00 70.31 H new ATOM 0 HA GLU A 138 12.648 11.863 -17.741 1.00 4.15 H new ATOM 0 HB2 GLU A 138 12.535 13.740 -19.740 1.00 13.42 H new ATOM 0 HB3 GLU A 138 10.946 13.935 -19.027 1.00 13.42 H new ATOM 0 HG2 GLU A 138 12.347 13.951 -16.753 1.00 11.41 H new ATOM 0 HG3 GLU A 138 13.647 14.438 -17.823 1.00 11.41 H new ATOM 361 N VAL A 139 10.167 10.439 -18.183 1.00 60.11 N ATOM 362 CA VAL A 139 8.870 9.944 -17.736 1.00 45.10 C ATOM 363 C VAL A 139 8.939 8.462 -17.385 1.00 2.25 C ATOM 364 O VAL A 139 9.762 7.723 -17.924 1.00 45.23 O ATOM 365 CB VAL A 139 7.788 10.156 -18.811 1.00 71.30 C ATOM 366 CG1 VAL A 139 6.412 9.821 -18.256 1.00 73.24 C ATOM 367 CG2 VAL A 139 7.828 11.584 -19.333 1.00 62.01 C ATOM 0 H VAL A 139 10.752 9.738 -18.638 1.00 60.11 H new ATOM 0 HA VAL A 139 8.603 10.513 -16.846 1.00 45.10 H new ATOM 0 HB VAL A 139 7.991 9.483 -19.644 1.00 71.30 H new ATOM 0 HG11 VAL A 139 5.660 9.977 -19.029 1.00 73.24 H new ATOM 0 HG12 VAL A 139 6.393 8.779 -17.935 1.00 73.24 H new ATOM 0 HG13 VAL A 139 6.196 10.467 -17.405 1.00 73.24 H new ATOM 0 HG21 VAL A 139 7.057 11.716 -20.092 1.00 62.01 H new ATOM 0 HG22 VAL A 139 7.650 12.277 -18.511 1.00 62.01 H new ATOM 0 HG23 VAL A 139 8.806 11.784 -19.771 1.00 62.01 H new ATOM 377 N SER A 140 8.068 8.034 -16.476 1.00 43.13 N ATOM 378 CA SER A 140 8.032 6.640 -16.050 1.00 11.25 C ATOM 379 C SER A 140 6.874 5.899 -16.712 1.00 2.32 C ATOM 380 O SER A 140 5.722 6.325 -16.630 1.00 11.31 O ATOM 381 CB SER A 140 7.903 6.554 -14.527 1.00 64.15 C ATOM 382 OG SER A 140 8.052 5.218 -14.078 1.00 53.21 O ATOM 0 H SER A 140 7.379 8.632 -16.021 1.00 43.13 H new ATOM 0 HA SER A 140 8.965 6.168 -16.357 1.00 11.25 H new ATOM 0 HB2 SER A 140 8.658 7.185 -14.059 1.00 64.15 H new ATOM 0 HB3 SER A 140 6.931 6.938 -14.219 1.00 64.15 H new ATOM 0 HG SER A 140 8.921 4.870 -14.369 1.00 53.21 H new ATOM 388 N TYR A 141 7.189 4.788 -17.368 1.00 5.22 N ATOM 389 CA TYR A 141 6.177 3.988 -18.047 1.00 1.21 C ATOM 390 C TYR A 141 6.330 2.510 -17.702 1.00 73.24 C ATOM 391 O TYR A 141 7.280 2.146 -17.012 1.00 2.14 O ATOM 392 CB TYR A 141 6.274 4.183 -19.561 1.00 0.21 C ATOM 393 CG TYR A 141 5.994 5.600 -20.008 1.00 43.21 C ATOM 394 CD1 TYR A 141 4.976 6.345 -19.426 1.00 50.14 C ATOM 395 CD2 TYR A 141 6.749 6.194 -21.012 1.00 3.41 C ATOM 396 CE1 TYR A 141 4.716 7.640 -19.833 1.00 25.34 C ATOM 397 CE2 TYR A 141 6.498 7.489 -21.423 1.00 51.04 C ATOM 398 CZ TYR A 141 5.480 8.207 -20.831 1.00 42.31 C ATOM 399 OH TYR A 141 5.226 9.497 -21.237 1.00 52.25 O ATOM 0 H TYR A 141 8.138 4.421 -17.444 1.00 5.22 H new ATOM 0 HA TYR A 141 5.197 4.322 -17.707 1.00 1.21 H new ATOM 0 HB2 TYR A 141 7.272 3.897 -19.893 1.00 0.21 H new ATOM 0 HB3 TYR A 141 5.570 3.510 -20.051 1.00 0.21 H new ATOM 0 HD1 TYR A 141 4.378 5.905 -18.642 1.00 50.14 H new ATOM 0 HD2 TYR A 141 7.546 5.634 -21.479 1.00 3.41 H new ATOM 0 HE1 TYR A 141 3.919 8.205 -19.372 1.00 25.34 H new ATOM 0 HE2 TYR A 141 7.096 7.937 -22.203 1.00 51.04 H new ATOM 0 HH TYR A 141 5.854 9.746 -21.947 1.00 52.25 H new ATOM 409 N CYS A 142 5.400 1.699 -18.187 1.00 3.13 N ATOM 410 CA CYS A 142 5.443 0.271 -17.924 1.00 72.44 C ATOM 411 C CYS A 142 6.111 -0.417 -19.117 1.00 31.14 C ATOM 412 O CYS A 142 6.455 0.206 -20.121 1.00 2.53 O ATOM 413 CB CYS A 142 4.049 -0.295 -17.647 1.00 34.32 C ATOM 414 SG CYS A 142 3.078 -0.356 -19.197 1.00 13.42 S ATOM 0 H CYS A 142 4.613 2.004 -18.760 1.00 3.13 H new ATOM 0 HA CYS A 142 6.026 0.082 -17.023 1.00 72.44 H new ATOM 0 HB2 CYS A 142 4.132 -1.295 -17.221 1.00 34.32 H new ATOM 0 HB3 CYS A 142 3.536 0.324 -16.911 1.00 34.32 H new ATOM 0 HG CYS A 142 1.893 0.134 -18.986 1.00 13.42 H new ATOM 419 N ASP A 143 6.288 -1.727 -18.982 1.00 53.15 N ATOM 420 CA ASP A 143 6.910 -2.526 -20.032 1.00 13.10 C ATOM 421 C ASP A 143 6.134 -2.403 -21.340 1.00 22.41 C ATOM 422 O ASP A 143 6.720 -2.196 -22.402 1.00 72.10 O ATOM 423 CB ASP A 143 6.988 -3.993 -19.607 1.00 3.13 C ATOM 424 CG ASP A 143 7.630 -4.869 -20.665 1.00 13.12 C ATOM 425 OD1 ASP A 143 6.922 -5.268 -21.613 1.00 0.02 O ATOM 426 OD2 ASP A 143 8.839 -5.156 -20.544 1.00 64.13 O ATOM 0 H ASP A 143 6.010 -2.258 -18.157 1.00 53.15 H new ATOM 0 HA ASP A 143 7.920 -2.148 -20.192 1.00 13.10 H new ATOM 0 HB2 ASP A 143 7.558 -4.070 -18.681 1.00 3.13 H new ATOM 0 HB3 ASP A 143 5.984 -4.361 -19.395 1.00 3.13 H new ATOM 431 N GLU A 144 4.814 -2.534 -21.254 1.00 21.31 N ATOM 432 CA GLU A 144 3.959 -2.440 -22.432 1.00 24.14 C ATOM 433 C GLU A 144 4.251 -1.163 -23.214 1.00 53.04 C ATOM 434 O GLU A 144 4.748 -1.244 -24.337 1.00 12.14 O ATOM 435 CB GLU A 144 2.485 -2.476 -22.023 1.00 62.15 C ATOM 436 CG GLU A 144 1.559 -2.952 -23.130 1.00 32.11 C ATOM 437 CD GLU A 144 0.248 -3.499 -22.598 1.00 41.34 C ATOM 438 OE1 GLU A 144 0.285 -4.305 -21.645 1.00 42.03 O ATOM 439 OE2 GLU A 144 -0.814 -3.121 -23.135 1.00 51.11 O ATOM 0 H GLU A 144 4.314 -2.705 -20.382 1.00 21.31 H new ATOM 0 HA GLU A 144 4.171 -3.295 -23.074 1.00 24.14 H new ATOM 0 HB2 GLU A 144 2.372 -3.131 -21.159 1.00 62.15 H new ATOM 0 HB3 GLU A 144 2.179 -1.478 -21.709 1.00 62.15 H new ATOM 0 HG2 GLU A 144 1.354 -2.124 -23.809 1.00 32.11 H new ATOM 0 HG3 GLU A 144 2.061 -3.725 -23.712 1.00 32.11 H new ATOM 446 N CYS A 145 3.938 -0.025 -22.613 1.00 11.24 N ATOM 447 CA CYS A 145 4.170 1.254 -23.263 1.00 32.25 C ATOM 448 C CYS A 145 5.629 1.302 -23.721 1.00 12.24 C ATOM 449 O CYS A 145 5.944 1.631 -24.865 1.00 72.32 O ATOM 450 CB CYS A 145 3.821 2.427 -22.344 1.00 72.22 C ATOM 451 SG CYS A 145 2.078 2.299 -21.800 1.00 62.50 S ATOM 0 H CYS A 145 3.525 0.038 -21.682 1.00 11.24 H new ATOM 0 HA CYS A 145 3.515 1.349 -24.129 1.00 32.25 H new ATOM 0 HB2 CYS A 145 4.482 2.430 -21.477 1.00 72.22 H new ATOM 0 HB3 CYS A 145 3.979 3.370 -22.868 1.00 72.22 H new ATOM 0 HG CYS A 145 1.582 3.491 -21.649 1.00 62.50 H new ATOM 456 N LEU A 146 6.519 0.965 -22.794 1.00 45.14 N ATOM 457 CA LEU A 146 7.951 0.961 -23.075 1.00 41.12 C ATOM 458 C LEU A 146 8.247 0.234 -24.383 1.00 5.11 C ATOM 459 O LEU A 146 9.196 0.571 -25.092 1.00 71.21 O ATOM 460 CB LEU A 146 8.714 0.300 -21.926 1.00 62.43 C ATOM 461 CG LEU A 146 10.237 0.269 -22.062 1.00 30.12 C ATOM 462 CD1 LEU A 146 10.857 1.485 -21.391 1.00 41.15 C ATOM 463 CD2 LEU A 146 10.800 -1.014 -21.468 1.00 75.42 C ATOM 0 H LEU A 146 6.275 0.691 -21.842 1.00 45.14 H new ATOM 0 HA LEU A 146 8.280 1.995 -23.174 1.00 41.12 H new ATOM 0 HB2 LEU A 146 8.462 0.821 -21.002 1.00 62.43 H new ATOM 0 HB3 LEU A 146 8.358 -0.725 -21.822 1.00 62.43 H new ATOM 0 HG LEU A 146 10.488 0.296 -23.122 1.00 30.12 H new ATOM 0 HD11 LEU A 146 11.941 1.446 -21.498 1.00 41.15 H new ATOM 0 HD12 LEU A 146 10.478 2.393 -21.861 1.00 41.15 H new ATOM 0 HD13 LEU A 146 10.596 1.489 -20.333 1.00 41.15 H new ATOM 0 HD21 LEU A 146 11.885 -1.019 -21.574 1.00 75.42 H new ATOM 0 HD22 LEU A 146 10.538 -1.071 -20.411 1.00 75.42 H new ATOM 0 HD23 LEU A 146 10.381 -1.872 -21.993 1.00 75.42 H new ATOM 475 N LYS A 147 7.429 -0.764 -24.698 1.00 14.32 N ATOM 476 CA LYS A 147 7.600 -1.537 -25.922 1.00 74.10 C ATOM 477 C LYS A 147 7.281 -0.690 -27.150 1.00 1.12 C ATOM 478 O LYS A 147 8.025 -0.697 -28.130 1.00 51.21 O ATOM 479 CB LYS A 147 6.701 -2.776 -25.897 1.00 0.31 C ATOM 480 CG LYS A 147 7.185 -3.896 -26.801 1.00 35.30 C ATOM 481 CD LYS A 147 6.037 -4.785 -27.250 1.00 32.33 C ATOM 482 CE LYS A 147 6.543 -6.086 -27.854 1.00 72.03 C ATOM 483 NZ LYS A 147 6.981 -7.051 -26.808 1.00 10.41 N ATOM 0 H LYS A 147 6.640 -1.057 -24.122 1.00 14.32 H new ATOM 0 HA LYS A 147 8.642 -1.852 -25.980 1.00 74.10 H new ATOM 0 HB2 LYS A 147 6.637 -3.148 -24.874 1.00 0.31 H new ATOM 0 HB3 LYS A 147 5.693 -2.489 -26.196 1.00 0.31 H new ATOM 0 HG2 LYS A 147 7.681 -3.472 -27.674 1.00 35.30 H new ATOM 0 HG3 LYS A 147 7.926 -4.496 -26.273 1.00 35.30 H new ATOM 0 HD2 LYS A 147 5.391 -5.004 -26.400 1.00 32.33 H new ATOM 0 HD3 LYS A 147 5.430 -4.254 -27.983 1.00 32.33 H new ATOM 0 HE2 LYS A 147 5.755 -6.537 -28.457 1.00 72.03 H new ATOM 0 HE3 LYS A 147 7.376 -5.875 -28.525 1.00 72.03 H new ATOM 0 HZ1 LYS A 147 7.239 -7.954 -27.255 1.00 10.41 H new ATOM 0 HZ2 LYS A 147 7.805 -6.666 -26.304 1.00 10.41 H new ATOM 0 HZ3 LYS A 147 6.205 -7.208 -26.133 1.00 10.41 H new ATOM 497 N ALA A 148 6.172 0.040 -27.088 1.00 60.21 N ATOM 498 CA ALA A 148 5.758 0.895 -28.193 1.00 72.15 C ATOM 499 C ALA A 148 6.678 2.103 -28.327 1.00 51.53 C ATOM 500 O ALA A 148 7.140 2.428 -29.422 1.00 31.21 O ATOM 501 CB ALA A 148 4.317 1.345 -28.001 1.00 60.35 C ATOM 0 H ALA A 148 5.544 0.056 -26.284 1.00 60.21 H new ATOM 0 HA ALA A 148 5.826 0.315 -29.114 1.00 72.15 H new ATOM 0 HB1 ALA A 148 4.021 1.983 -28.834 1.00 60.35 H new ATOM 0 HB2 ALA A 148 3.665 0.472 -27.963 1.00 60.35 H new ATOM 0 HB3 ALA A 148 4.231 1.903 -27.068 1.00 60.35 H new ATOM 507 N THR A 149 6.941 2.769 -27.206 1.00 73.55 N ATOM 508 CA THR A 149 7.804 3.943 -27.199 1.00 21.40 C ATOM 509 C THR A 149 9.217 3.589 -27.648 1.00 23.22 C ATOM 510 O THR A 149 9.825 4.307 -28.442 1.00 44.11 O ATOM 511 CB THR A 149 7.868 4.584 -25.800 1.00 54.31 C ATOM 512 OG1 THR A 149 8.139 3.583 -24.813 1.00 73.44 O ATOM 513 CG2 THR A 149 6.561 5.290 -25.468 1.00 61.44 C ATOM 0 H THR A 149 6.568 2.514 -26.291 1.00 73.55 H new ATOM 0 HA THR A 149 7.371 4.658 -27.899 1.00 21.40 H new ATOM 0 HB THR A 149 8.672 5.320 -25.799 1.00 54.31 H new ATOM 0 HG1 THR A 149 7.355 3.004 -24.711 1.00 73.44 H new ATOM 0 HG21 THR A 149 6.630 5.735 -24.475 1.00 61.44 H new ATOM 0 HG22 THR A 149 6.373 6.072 -26.204 1.00 61.44 H new ATOM 0 HG23 THR A 149 5.743 4.569 -25.487 1.00 61.44 H new ATOM 521 N HIS A 150 9.735 2.477 -27.135 1.00 42.11 N ATOM 522 CA HIS A 150 11.078 2.027 -27.485 1.00 11.10 C ATOM 523 C HIS A 150 11.021 0.792 -28.378 1.00 63.35 C ATOM 524 O HIS A 150 11.038 -0.346 -27.908 1.00 12.11 O ATOM 525 CB HIS A 150 11.881 1.720 -26.221 1.00 3.21 C ATOM 526 CG HIS A 150 12.089 2.913 -25.339 1.00 30.21 C ATOM 527 ND1 HIS A 150 12.890 2.889 -24.217 1.00 22.41 N ATOM 528 CD2 HIS A 150 11.596 4.171 -25.420 1.00 74.40 C ATOM 529 CE1 HIS A 150 12.879 4.079 -23.645 1.00 43.51 C ATOM 530 NE2 HIS A 150 12.101 4.876 -24.356 1.00 24.11 N ATOM 0 H HIS A 150 9.246 1.871 -26.476 1.00 42.11 H new ATOM 0 HA HIS A 150 11.572 2.829 -28.034 1.00 11.10 H new ATOM 0 HB2 HIS A 150 11.367 0.944 -25.654 1.00 3.21 H new ATOM 0 HB3 HIS A 150 12.852 1.316 -26.507 1.00 3.21 H new ATOM 0 HD1 HIS A 150 13.410 2.078 -23.881 1.00 22.41 H new ATOM 0 HD2 HIS A 150 10.929 4.550 -26.180 1.00 74.40 H new ATOM 0 HE1 HIS A 150 13.415 4.354 -22.749 1.00 43.51 H new ATOM 664 N HIS A 159 18.242 4.888 -26.348 1.00 43.41 N ATOM 665 CA HIS A 159 17.579 5.502 -25.204 1.00 13.44 C ATOM 666 C HIS A 159 18.210 5.036 -23.895 1.00 51.31 C ATOM 667 O HIS A 159 18.436 3.843 -23.695 1.00 22.15 O ATOM 668 CB HIS A 159 16.087 5.167 -25.212 1.00 20.22 C ATOM 669 CG HIS A 159 15.269 6.095 -26.056 1.00 71.31 C ATOM 670 ND1 HIS A 159 14.021 6.548 -25.684 1.00 0.02 N ATOM 671 CD2 HIS A 159 15.528 6.656 -27.260 1.00 74.03 C ATOM 672 CE1 HIS A 159 13.547 7.347 -26.623 1.00 72.43 C ATOM 673 NE2 HIS A 159 14.442 7.429 -27.591 1.00 1.21 N ATOM 0 HA HIS A 159 17.702 6.582 -25.281 1.00 13.44 H new ATOM 0 HB2 HIS A 159 15.954 4.148 -25.574 1.00 20.22 H new ATOM 0 HB3 HIS A 159 15.712 5.194 -24.189 1.00 20.22 H new ATOM 0 HD1 HIS A 159 13.539 6.304 -24.819 1.00 0.02 H new ATOM 0 HD2 HIS A 159 16.422 6.521 -27.851 1.00 74.03 H new ATOM 0 HE1 HIS A 159 12.590 7.848 -26.603 1.00 72.43 H new ATOM 680 N ARG A 160 18.492 5.985 -23.009 1.00 3.52 N ATOM 681 CA ARG A 160 19.099 5.672 -21.721 1.00 22.01 C ATOM 682 C ARG A 160 18.047 5.648 -20.616 1.00 24.13 C ATOM 683 O ARG A 160 17.038 6.350 -20.689 1.00 73.53 O ATOM 684 CB ARG A 160 20.186 6.694 -21.383 1.00 1.10 C ATOM 685 CG ARG A 160 21.282 6.787 -22.432 1.00 23.22 C ATOM 686 CD ARG A 160 22.457 7.617 -21.938 1.00 70.21 C ATOM 687 NE ARG A 160 22.333 9.021 -22.319 1.00 1.33 N ATOM 688 CZ ARG A 160 22.606 9.480 -23.535 1.00 72.23 C ATOM 689 NH1 ARG A 160 23.015 8.649 -24.484 1.00 41.01 N ATOM 690 NH2 ARG A 160 22.469 10.772 -23.805 1.00 33.22 N ATOM 0 H ARG A 160 18.310 6.977 -23.159 1.00 3.52 H new ATOM 0 HA ARG A 160 19.550 4.682 -21.791 1.00 22.01 H new ATOM 0 HB2 ARG A 160 19.726 7.675 -21.263 1.00 1.10 H new ATOM 0 HB3 ARG A 160 20.634 6.432 -20.424 1.00 1.10 H new ATOM 0 HG2 ARG A 160 21.626 5.785 -22.690 1.00 23.22 H new ATOM 0 HG3 ARG A 160 20.879 7.231 -23.342 1.00 23.22 H new ATOM 0 HD2 ARG A 160 22.524 7.540 -20.853 1.00 70.21 H new ATOM 0 HD3 ARG A 160 23.384 7.212 -22.344 1.00 70.21 H new ATOM 0 HE ARG A 160 22.019 9.686 -21.612 1.00 1.33 H new ATOM 0 HH11 ARG A 160 23.120 7.655 -24.281 1.00 41.01 H new ATOM 0 HH12 ARG A 160 23.224 9.004 -25.417 1.00 41.01 H new ATOM 0 HH21 ARG A 160 22.154 11.414 -23.078 1.00 33.22 H new ATOM 0 HH22 ARG A 160 22.679 11.123 -24.739 1.00 33.22 H new ATOM 704 N LEU A 161 18.290 4.836 -19.593 1.00 3.03 N ATOM 705 CA LEU A 161 17.364 4.720 -18.472 1.00 21.44 C ATOM 706 C LEU A 161 18.119 4.571 -17.155 1.00 22.33 C ATOM 707 O LEU A 161 19.340 4.727 -17.107 1.00 13.03 O ATOM 708 CB LEU A 161 16.432 3.524 -18.676 1.00 64.14 C ATOM 709 CG LEU A 161 15.718 3.453 -20.026 1.00 54.44 C ATOM 710 CD1 LEU A 161 16.552 2.675 -21.032 1.00 34.11 C ATOM 711 CD2 LEU A 161 14.342 2.822 -19.869 1.00 50.12 C ATOM 0 H LEU A 161 19.120 4.248 -19.517 1.00 3.03 H new ATOM 0 HA LEU A 161 16.770 5.633 -18.428 1.00 21.44 H new ATOM 0 HB2 LEU A 161 17.012 2.610 -18.546 1.00 64.14 H new ATOM 0 HB3 LEU A 161 15.678 3.538 -17.889 1.00 64.14 H new ATOM 0 HG LEU A 161 15.590 4.468 -20.401 1.00 54.44 H new ATOM 0 HD11 LEU A 161 16.027 2.635 -21.987 1.00 34.11 H new ATOM 0 HD12 LEU A 161 17.514 3.170 -21.167 1.00 34.11 H new ATOM 0 HD13 LEU A 161 16.713 1.662 -20.664 1.00 34.11 H new ATOM 0 HD21 LEU A 161 13.848 2.780 -20.840 1.00 50.12 H new ATOM 0 HD22 LEU A 161 14.448 1.813 -19.471 1.00 50.12 H new ATOM 0 HD23 LEU A 161 13.743 3.421 -19.183 1.00 50.12 H new ATOM 723 N ILE A 162 17.386 4.266 -16.089 1.00 71.14 N ATOM 724 CA ILE A 162 17.987 4.092 -14.773 1.00 1.40 C ATOM 725 C ILE A 162 18.208 2.617 -14.460 1.00 32.55 C ATOM 726 O ILE A 162 17.477 1.753 -14.945 1.00 5.31 O ATOM 727 CB ILE A 162 17.113 4.715 -13.668 1.00 51.14 C ATOM 728 CG1 ILE A 162 16.686 6.130 -14.063 1.00 15.30 C ATOM 729 CG2 ILE A 162 17.864 4.732 -12.345 1.00 53.23 C ATOM 730 CD1 ILE A 162 15.215 6.246 -14.400 1.00 24.32 C ATOM 0 H ILE A 162 16.375 4.134 -16.112 1.00 71.14 H new ATOM 0 HA ILE A 162 18.949 4.604 -14.796 1.00 1.40 H new ATOM 0 HB ILE A 162 16.217 4.106 -13.547 1.00 51.14 H new ATOM 0 HG12 ILE A 162 16.918 6.812 -13.245 1.00 15.30 H new ATOM 0 HG13 ILE A 162 17.274 6.451 -14.923 1.00 15.30 H new ATOM 0 HG21 ILE A 162 17.233 5.175 -11.574 1.00 53.23 H new ATOM 0 HG22 ILE A 162 18.123 3.712 -12.060 1.00 53.23 H new ATOM 0 HG23 ILE A 162 18.775 5.321 -12.451 1.00 53.23 H new ATOM 0 HD11 ILE A 162 14.984 7.276 -14.671 1.00 24.32 H new ATOM 0 HD12 ILE A 162 14.981 5.589 -15.238 1.00 24.32 H new ATOM 0 HD13 ILE A 162 14.619 5.956 -13.534 1.00 24.32 H new ATOM 894 N LEU A 173 23.347 -4.171 -9.808 1.00 22.13 N ATOM 895 CA LEU A 173 24.002 -3.330 -10.804 1.00 71.30 C ATOM 896 C LEU A 173 24.312 -1.950 -10.233 1.00 71.20 C ATOM 897 O LEU A 173 23.854 -1.601 -9.146 1.00 12.44 O ATOM 898 CB LEU A 173 23.118 -3.194 -12.045 1.00 63.43 C ATOM 899 CG LEU A 173 23.582 -3.959 -13.286 1.00 51.40 C ATOM 900 CD1 LEU A 173 23.393 -5.455 -13.093 1.00 22.24 C ATOM 901 CD2 LEU A 173 22.830 -3.479 -14.519 1.00 63.43 C ATOM 0 HA LEU A 173 24.942 -3.806 -11.084 1.00 71.30 H new ATOM 0 HB2 LEU A 173 22.113 -3.531 -11.790 1.00 63.43 H new ATOM 0 HB3 LEU A 173 23.045 -2.137 -12.300 1.00 63.43 H new ATOM 0 HG LEU A 173 24.644 -3.765 -13.433 1.00 51.40 H new ATOM 0 HD11 LEU A 173 23.729 -5.982 -13.986 1.00 22.24 H new ATOM 0 HD12 LEU A 173 23.976 -5.788 -12.234 1.00 22.24 H new ATOM 0 HD13 LEU A 173 22.338 -5.669 -12.920 1.00 22.24 H new ATOM 0 HD21 LEU A 173 23.172 -4.034 -15.393 1.00 63.43 H new ATOM 0 HD22 LEU A 173 21.761 -3.644 -14.380 1.00 63.43 H new ATOM 0 HD23 LEU A 173 23.017 -2.416 -14.668 1.00 63.43 H new ATOM 913 N MET A 174 25.091 -1.170 -10.975 1.00 53.20 N ATOM 914 CA MET A 174 25.459 0.174 -10.544 1.00 33.33 C ATOM 915 C MET A 174 24.632 1.226 -11.276 1.00 71.54 C ATOM 916 O MET A 174 23.945 0.887 -12.239 1.00 42.32 O ATOM 917 CB MET A 174 26.949 0.420 -10.786 1.00 61.00 C ATOM 918 CG MET A 174 27.798 0.294 -9.531 1.00 72.13 C ATOM 919 SD MET A 174 29.554 0.114 -9.896 1.00 64.11 S ATOM 920 CE MET A 174 30.076 -0.934 -8.540 1.00 61.15 C ATOM 0 H MET A 174 25.480 -1.445 -11.877 1.00 53.20 H new ATOM 0 HA MET A 174 25.254 0.255 -9.477 1.00 33.33 H new ATOM 0 HB2 MET A 174 27.309 -0.289 -11.531 1.00 61.00 H new ATOM 0 HB3 MET A 174 27.081 1.418 -11.205 1.00 61.00 H new ATOM 0 HG2 MET A 174 27.649 1.175 -8.906 1.00 72.13 H new ATOM 0 HG3 MET A 174 27.461 -0.567 -8.954 1.00 72.13 H new ATOM 0 HE1 MET A 174 31.144 -1.136 -8.626 1.00 61.15 H new ATOM 0 HE2 MET A 174 29.877 -0.431 -7.594 1.00 61.15 H new ATOM 0 HE3 MET A 174 29.525 -1.874 -8.574 1.00 61.15 H new ATOM 930 N CYS A 175 24.714 2.463 -10.811 1.00 11.30 N ATOM 931 CA CYS A 175 23.969 3.547 -11.430 1.00 64.53 C ATOM 932 C CYS A 175 24.463 3.708 -12.869 1.00 64.34 C ATOM 933 O CYS A 175 25.350 2.994 -13.339 1.00 45.05 O ATOM 934 CB CYS A 175 24.096 4.847 -10.635 1.00 12.25 C ATOM 935 SG CYS A 175 22.457 5.648 -10.480 1.00 25.24 S ATOM 0 H CYS A 175 25.285 2.740 -10.012 1.00 11.30 H new ATOM 0 HA CYS A 175 22.906 3.304 -11.436 1.00 64.53 H new ATOM 0 HB2 CYS A 175 24.504 4.640 -9.646 1.00 12.25 H new ATOM 0 HB3 CYS A 175 24.794 5.521 -11.133 1.00 12.25 H new ATOM 0 HG CYS A 175 22.413 6.336 -9.378 1.00 25.24 H new ATOM 940 N LEU A 176 23.865 4.669 -13.564 1.00 60.00 N ATOM 941 CA LEU A 176 24.224 4.948 -14.950 1.00 71.12 C ATOM 942 C LEU A 176 25.699 5.317 -15.067 1.00 63.41 C ATOM 943 O LEU A 176 26.469 4.629 -15.737 1.00 21.34 O ATOM 944 CB LEU A 176 23.358 6.081 -15.504 1.00 31.12 C ATOM 945 CG LEU A 176 22.555 5.758 -16.764 1.00 71.52 C ATOM 946 CD1 LEU A 176 21.635 6.914 -17.123 1.00 2.54 C ATOM 947 CD2 LEU A 176 23.487 5.436 -17.923 1.00 5.50 C ATOM 0 H LEU A 176 23.129 5.268 -13.190 1.00 60.00 H new ATOM 0 HA LEU A 176 24.047 4.045 -15.534 1.00 71.12 H new ATOM 0 HB2 LEU A 176 22.663 6.394 -14.725 1.00 31.12 H new ATOM 0 HB3 LEU A 176 24.003 6.933 -15.717 1.00 31.12 H new ATOM 0 HG LEU A 176 21.940 4.881 -16.564 1.00 71.52 H new ATOM 0 HD11 LEU A 176 21.072 6.665 -18.023 1.00 2.54 H new ATOM 0 HD12 LEU A 176 20.943 7.097 -16.301 1.00 2.54 H new ATOM 0 HD13 LEU A 176 22.229 7.810 -17.303 1.00 2.54 H new ATOM 0 HD21 LEU A 176 22.898 5.209 -18.811 1.00 5.50 H new ATOM 0 HD22 LEU A 176 24.129 6.294 -18.123 1.00 5.50 H new ATOM 0 HD23 LEU A 176 24.103 4.574 -17.666 1.00 5.50 H new ATOM 959 N GLU A 177 26.086 6.405 -14.409 1.00 50.34 N ATOM 960 CA GLU A 177 27.470 6.864 -14.439 1.00 71.32 C ATOM 961 C GLU A 177 27.965 7.192 -13.033 1.00 73.14 C ATOM 962 O GLU A 177 28.524 8.263 -12.794 1.00 74.11 O ATOM 963 CB GLU A 177 27.604 8.094 -15.339 1.00 53.00 C ATOM 964 CG GLU A 177 27.705 7.759 -16.818 1.00 35.45 C ATOM 965 CD GLU A 177 27.189 8.875 -17.705 1.00 71.43 C ATOM 966 OE1 GLU A 177 27.169 10.036 -17.248 1.00 12.21 O ATOM 967 OE2 GLU A 177 26.806 8.585 -18.858 1.00 54.43 O ATOM 0 H GLU A 177 25.461 6.985 -13.849 1.00 50.34 H new ATOM 0 HA GLU A 177 28.084 6.059 -14.843 1.00 71.32 H new ATOM 0 HB2 GLU A 177 26.744 8.745 -15.181 1.00 53.00 H new ATOM 0 HB3 GLU A 177 28.489 8.657 -15.041 1.00 53.00 H new ATOM 0 HG2 GLU A 177 28.745 7.551 -17.070 1.00 35.45 H new ATOM 0 HG3 GLU A 177 27.140 6.849 -17.020 1.00 35.45 H new ATOM 974 N HIS A 178 27.754 6.263 -12.106 1.00 65.34 N ATOM 975 CA HIS A 178 28.179 6.452 -10.724 1.00 12.42 C ATOM 976 C HIS A 178 28.780 5.169 -10.159 1.00 64.02 C ATOM 977 O HIS A 178 28.117 4.429 -9.434 1.00 72.43 O ATOM 978 CB HIS A 178 26.997 6.898 -9.862 1.00 31.50 C ATOM 979 CG HIS A 178 26.414 8.213 -10.278 1.00 71.23 C ATOM 980 ND1 HIS A 178 25.057 8.433 -10.391 1.00 63.21 N ATOM 981 CD2 HIS A 178 27.012 9.382 -10.608 1.00 73.41 C ATOM 982 CE1 HIS A 178 24.846 9.679 -10.774 1.00 50.30 C ATOM 983 NE2 HIS A 178 26.016 10.277 -10.912 1.00 71.23 N ATOM 0 H HIS A 178 27.291 5.372 -12.287 1.00 65.34 H new ATOM 0 HA HIS A 178 28.945 7.228 -10.708 1.00 12.42 H new ATOM 0 HB2 HIS A 178 26.219 6.136 -9.904 1.00 31.50 H new ATOM 0 HB3 HIS A 178 27.321 6.966 -8.823 1.00 31.50 H new ATOM 0 HD2 HIS A 178 28.074 9.575 -10.628 1.00 73.41 H new ATOM 0 HE1 HIS A 178 23.881 10.132 -10.945 1.00 50.30 H new ATOM 0 HE2 HIS A 178 26.157 11.246 -11.198 1.00 71.23 H new ATOM 990 N GLU A 179 30.040 4.913 -10.498 1.00 22.34 N ATOM 991 CA GLU A 179 30.729 3.718 -10.025 1.00 64.21 C ATOM 992 C GLU A 179 31.223 3.905 -8.593 1.00 71.33 C ATOM 993 O GLU A 179 31.392 2.936 -7.852 1.00 54.21 O ATOM 994 CB GLU A 179 31.908 3.385 -10.943 1.00 13.11 C ATOM 995 CG GLU A 179 33.081 4.340 -10.798 1.00 32.33 C ATOM 996 CD GLU A 179 34.225 3.741 -10.004 1.00 25.13 C ATOM 997 OE1 GLU A 179 34.773 2.707 -10.441 1.00 35.43 O ATOM 998 OE2 GLU A 179 34.574 4.306 -8.946 1.00 31.40 O ATOM 0 H GLU A 179 30.603 5.516 -11.097 1.00 22.34 H new ATOM 0 HA GLU A 179 30.020 2.891 -10.041 1.00 64.21 H new ATOM 0 HB2 GLU A 179 32.247 2.371 -10.731 1.00 13.11 H new ATOM 0 HB3 GLU A 179 31.566 3.397 -11.978 1.00 13.11 H new ATOM 0 HG2 GLU A 179 33.439 4.623 -11.788 1.00 32.33 H new ATOM 0 HG3 GLU A 179 32.743 5.253 -10.309 1.00 32.33 H new ATOM 1005 N ASP A 180 31.453 5.156 -8.212 1.00 11.22 N ATOM 1006 CA ASP A 180 31.927 5.472 -6.869 1.00 74.51 C ATOM 1007 C ASP A 180 30.809 5.302 -5.845 1.00 12.32 C ATOM 1008 O ASP A 180 31.067 5.120 -4.656 1.00 31.53 O ATOM 1009 CB ASP A 180 32.469 6.901 -6.819 1.00 60.31 C ATOM 1010 CG ASP A 180 33.010 7.267 -5.451 1.00 41.01 C ATOM 1011 OD1 ASP A 180 34.149 6.864 -5.137 1.00 22.23 O ATOM 1012 OD2 ASP A 180 32.294 7.956 -4.695 1.00 1.25 O ATOM 0 H ASP A 180 31.319 5.969 -8.814 1.00 11.22 H new ATOM 0 HA ASP A 180 32.731 4.779 -6.621 1.00 74.51 H new ATOM 0 HB2 ASP A 180 33.260 7.013 -7.561 1.00 60.31 H new ATOM 0 HB3 ASP A 180 31.676 7.597 -7.091 1.00 60.31 H new ATOM 1017 N GLU A 181 29.567 5.366 -6.315 1.00 61.24 N ATOM 1018 CA GLU A 181 28.411 5.221 -5.439 1.00 54.41 C ATOM 1019 C GLU A 181 27.380 4.277 -6.050 1.00 74.22 C ATOM 1020 O GLU A 181 26.805 4.562 -7.101 1.00 61.32 O ATOM 1021 CB GLU A 181 27.772 6.586 -5.171 1.00 44.01 C ATOM 1022 CG GLU A 181 27.570 6.884 -3.695 1.00 31.10 C ATOM 1023 CD GLU A 181 26.756 5.816 -2.991 1.00 23.44 C ATOM 1024 OE1 GLU A 181 25.513 5.850 -3.096 1.00 74.15 O ATOM 1025 OE2 GLU A 181 27.364 4.945 -2.333 1.00 63.23 O ATOM 0 H GLU A 181 29.336 5.517 -7.297 1.00 61.24 H new ATOM 0 HA GLU A 181 28.754 4.796 -4.496 1.00 54.41 H new ATOM 0 HB2 GLU A 181 28.399 7.363 -5.607 1.00 44.01 H new ATOM 0 HB3 GLU A 181 26.808 6.632 -5.678 1.00 44.01 H new ATOM 0 HG2 GLU A 181 28.542 6.974 -3.210 1.00 31.10 H new ATOM 0 HG3 GLU A 181 27.070 7.847 -3.587 1.00 31.10 H new ATOM 1032 N LYS A 182 27.150 3.150 -5.384 1.00 44.12 N ATOM 1033 CA LYS A 182 26.189 2.162 -5.859 1.00 50.11 C ATOM 1034 C LYS A 182 24.759 2.621 -5.590 1.00 24.00 C ATOM 1035 O LYS A 182 24.537 3.672 -4.988 1.00 71.42 O ATOM 1036 CB LYS A 182 26.438 0.812 -5.183 1.00 62.24 C ATOM 1037 CG LYS A 182 27.245 -0.154 -6.034 1.00 34.31 C ATOM 1038 CD LYS A 182 28.108 -1.064 -5.177 1.00 24.41 C ATOM 1039 CE LYS A 182 29.221 -0.290 -4.487 1.00 53.40 C ATOM 1040 NZ LYS A 182 29.123 -0.381 -3.004 1.00 23.41 N ATOM 0 H LYS A 182 27.617 2.898 -4.513 1.00 44.12 H new ATOM 0 HA LYS A 182 26.321 2.052 -6.935 1.00 50.11 H new ATOM 0 HB2 LYS A 182 26.961 0.978 -4.241 1.00 62.24 H new ATOM 0 HB3 LYS A 182 25.479 0.355 -4.939 1.00 62.24 H new ATOM 0 HG2 LYS A 182 26.570 -0.757 -6.641 1.00 34.31 H new ATOM 0 HG3 LYS A 182 27.878 0.407 -6.722 1.00 34.31 H new ATOM 0 HD2 LYS A 182 27.487 -1.556 -4.428 1.00 24.41 H new ATOM 0 HD3 LYS A 182 28.540 -1.848 -5.798 1.00 24.41 H new ATOM 0 HE2 LYS A 182 30.187 -0.676 -4.811 1.00 53.40 H new ATOM 0 HE3 LYS A 182 29.178 0.756 -4.790 1.00 53.40 H new ATOM 0 HZ1 LYS A 182 29.899 0.159 -2.571 1.00 23.41 H new ATOM 0 HZ2 LYS A 182 28.212 0.011 -2.692 1.00 23.41 H new ATOM 0 HZ3 LYS A 182 29.190 -1.377 -2.712 1.00 23.41 H new ATOM 1054 N VAL A 183 23.793 1.826 -6.038 1.00 61.15 N ATOM 1055 CA VAL A 183 22.385 2.149 -5.844 1.00 12.44 C ATOM 1056 C VAL A 183 21.842 1.499 -4.576 1.00 51.11 C ATOM 1057 O VAL A 183 21.824 0.275 -4.453 1.00 54.32 O ATOM 1058 CB VAL A 183 21.534 1.697 -7.045 1.00 35.22 C ATOM 1059 CG1 VAL A 183 21.840 2.548 -8.267 1.00 53.25 C ATOM 1060 CG2 VAL A 183 21.769 0.223 -7.339 1.00 32.13 C ATOM 0 H VAL A 183 23.960 0.953 -6.538 1.00 61.15 H new ATOM 0 HA VAL A 183 22.319 3.233 -5.750 1.00 12.44 H new ATOM 0 HB VAL A 183 20.482 1.831 -6.794 1.00 35.22 H new ATOM 0 HG11 VAL A 183 21.229 2.214 -9.105 1.00 53.25 H new ATOM 0 HG12 VAL A 183 21.616 3.592 -8.049 1.00 53.25 H new ATOM 0 HG13 VAL A 183 22.895 2.449 -8.524 1.00 53.25 H new ATOM 0 HG21 VAL A 183 21.160 -0.080 -8.191 1.00 32.13 H new ATOM 0 HG22 VAL A 183 22.822 0.061 -7.570 1.00 32.13 H new ATOM 0 HG23 VAL A 183 21.494 -0.370 -6.467 1.00 32.13 H new ATOM 1070 N ASN A 184 21.400 2.327 -3.635 1.00 54.45 N ATOM 1071 CA ASN A 184 20.856 1.833 -2.376 1.00 35.01 C ATOM 1072 C ASN A 184 19.553 2.547 -2.028 1.00 41.32 C ATOM 1073 O ASN A 184 19.157 2.605 -0.865 1.00 34.14 O ATOM 1074 CB ASN A 184 21.872 2.023 -1.248 1.00 15.32 C ATOM 1075 CG ASN A 184 21.694 1.010 -0.133 1.00 44.23 C ATOM 1076 OD1 ASN A 184 21.373 1.368 1.000 1.00 23.32 O ATOM 1077 ND2 ASN A 184 21.904 -0.262 -0.451 1.00 52.15 N ATOM 0 H ASN A 184 21.408 3.343 -3.721 1.00 54.45 H new ATOM 0 HA ASN A 184 20.647 0.770 -2.492 1.00 35.01 H new ATOM 0 HB2 ASN A 184 22.880 1.940 -1.653 1.00 15.32 H new ATOM 0 HB3 ASN A 184 21.774 3.029 -0.840 1.00 15.32 H new ATOM 0 HD21 ASN A 184 21.801 -0.989 0.257 1.00 52.15 H new ATOM 0 HD22 ASN A 184 22.169 -0.513 -1.404 1.00 52.15 H new ATOM 1084 N MET A 185 18.892 3.090 -3.046 1.00 21.33 N ATOM 1085 CA MET A 185 17.633 3.799 -2.848 1.00 23.32 C ATOM 1086 C MET A 185 16.581 3.328 -3.847 1.00 44.44 C ATOM 1087 O MET A 185 16.884 2.577 -4.774 1.00 64.33 O ATOM 1088 CB MET A 185 17.846 5.307 -2.985 1.00 51.54 C ATOM 1089 CG MET A 185 18.206 5.992 -1.677 1.00 43.21 C ATOM 1090 SD MET A 185 17.758 7.739 -1.661 1.00 21.33 S ATOM 1091 CE MET A 185 17.374 7.973 0.073 1.00 51.31 C ATOM 0 H MET A 185 19.207 3.052 -4.015 1.00 21.33 H new ATOM 0 HA MET A 185 17.275 3.580 -1.842 1.00 23.32 H new ATOM 0 HB2 MET A 185 18.638 5.489 -3.711 1.00 51.54 H new ATOM 0 HB3 MET A 185 16.938 5.759 -3.384 1.00 51.54 H new ATOM 0 HG2 MET A 185 17.702 5.484 -0.855 1.00 43.21 H new ATOM 0 HG3 MET A 185 19.278 5.894 -1.503 1.00 43.21 H new ATOM 0 HE1 MET A 185 17.759 8.938 0.404 1.00 51.31 H new ATOM 0 HE2 MET A 185 16.293 7.946 0.213 1.00 51.31 H new ATOM 0 HE3 MET A 185 17.836 7.178 0.658 1.00 51.31 H new ATOM 1101 N TYR A 186 15.346 3.775 -3.653 1.00 34.11 N ATOM 1102 CA TYR A 186 14.249 3.397 -4.536 1.00 14.20 C ATOM 1103 C TYR A 186 13.329 4.585 -4.801 1.00 51.22 C ATOM 1104 O TYR A 186 12.957 5.283 -3.859 1.00 24.13 O ATOM 1105 CB TYR A 186 13.449 2.245 -3.926 1.00 33.10 C ATOM 1106 CG TYR A 186 12.569 1.524 -4.922 1.00 52.44 C ATOM 1107 CD1 TYR A 186 11.410 2.115 -5.410 1.00 51.14 C ATOM 1108 CD2 TYR A 186 12.897 0.253 -5.377 1.00 24.03 C ATOM 1109 CE1 TYR A 186 10.603 1.460 -6.320 1.00 52.02 C ATOM 1110 CE2 TYR A 186 12.097 -0.409 -6.288 1.00 10.04 C ATOM 1111 CZ TYR A 186 10.951 0.198 -6.756 1.00 14.41 C ATOM 1112 OH TYR A 186 10.150 -0.457 -7.663 1.00 40.23 O ATOM 0 H TYR A 186 15.079 4.400 -2.892 1.00 34.11 H new ATOM 0 HA TYR A 186 14.676 3.072 -5.485 1.00 14.20 H new ATOM 0 HB2 TYR A 186 14.140 1.530 -3.480 1.00 33.10 H new ATOM 0 HB3 TYR A 186 12.827 2.633 -3.119 1.00 33.10 H new ATOM 0 HD1 TYR A 186 11.135 3.103 -5.072 1.00 51.14 H new ATOM 0 HD2 TYR A 186 13.793 -0.226 -5.012 1.00 24.03 H new ATOM 0 HE1 TYR A 186 9.705 1.933 -6.688 1.00 52.02 H new ATOM 0 HE2 TYR A 186 12.368 -1.396 -6.632 1.00 10.04 H new ATOM 0 HH TYR A 186 10.403 -0.194 -8.573 1.00 40.23 H new ATOM 1122 N CYS A 187 12.985 4.786 -6.065 1.00 5.31 N ATOM 1123 CA CYS A 187 12.113 5.887 -6.437 1.00 40.02 C ATOM 1124 C CYS A 187 10.739 5.313 -6.788 1.00 51.33 C ATOM 1125 O CYS A 187 10.610 4.304 -7.482 1.00 1.32 O ATOM 1126 CB CYS A 187 12.699 6.709 -7.587 1.00 11.21 C ATOM 1127 SG CYS A 187 11.564 8.078 -8.019 1.00 10.30 S ATOM 0 H CYS A 187 13.294 4.205 -6.844 1.00 5.31 H new ATOM 0 HA CYS A 187 12.015 6.576 -5.598 1.00 40.02 H new ATOM 0 HB2 CYS A 187 13.672 7.109 -7.301 1.00 11.21 H new ATOM 0 HB3 CYS A 187 12.860 6.071 -8.456 1.00 11.21 H new ATOM 0 HG CYS A 187 12.249 9.167 -8.207 1.00 10.30 H new ATOM 1132 N VAL A 188 9.706 5.985 -6.290 1.00 34.34 N ATOM 1133 CA VAL A 188 8.331 5.565 -6.535 1.00 40.42 C ATOM 1134 C VAL A 188 7.828 6.090 -7.875 1.00 73.54 C ATOM 1135 O VAL A 188 7.283 5.338 -8.685 1.00 30.45 O ATOM 1136 CB VAL A 188 7.388 6.052 -5.419 1.00 52.11 C ATOM 1137 CG1 VAL A 188 5.956 5.629 -5.708 1.00 15.20 C ATOM 1138 CG2 VAL A 188 7.846 5.525 -4.068 1.00 12.14 C ATOM 0 H VAL A 188 9.795 6.822 -5.715 1.00 34.34 H new ATOM 0 HA VAL A 188 8.330 4.475 -6.551 1.00 40.42 H new ATOM 0 HB VAL A 188 7.421 7.141 -5.389 1.00 52.11 H new ATOM 0 HG11 VAL A 188 5.304 5.982 -4.909 1.00 15.20 H new ATOM 0 HG12 VAL A 188 5.634 6.060 -6.656 1.00 15.20 H new ATOM 0 HG13 VAL A 188 5.903 4.542 -5.767 1.00 15.20 H new ATOM 0 HG21 VAL A 188 7.169 5.879 -3.291 1.00 12.14 H new ATOM 0 HG22 VAL A 188 7.844 4.435 -4.083 1.00 12.14 H new ATOM 0 HG23 VAL A 188 8.854 5.883 -3.861 1.00 12.14 H new ATOM 1148 N THR A 189 8.014 7.386 -8.106 1.00 31.35 N ATOM 1149 CA THR A 189 7.579 8.012 -9.347 1.00 74.35 C ATOM 1150 C THR A 189 8.096 7.246 -10.560 1.00 35.11 C ATOM 1151 O THR A 189 7.444 7.205 -11.604 1.00 22.41 O ATOM 1152 CB THR A 189 8.055 9.474 -9.437 1.00 31.13 C ATOM 1153 OG1 THR A 189 7.671 10.187 -8.256 1.00 2.02 O ATOM 1154 CG2 THR A 189 7.470 10.160 -10.662 1.00 60.21 C ATOM 0 H THR A 189 8.464 8.023 -7.448 1.00 31.35 H new ATOM 0 HA THR A 189 6.489 7.992 -9.345 1.00 74.35 H new ATOM 0 HB THR A 189 9.141 9.474 -9.525 1.00 31.13 H new ATOM 0 HG1 THR A 189 7.979 11.115 -8.320 1.00 2.02 H new ATOM 0 HG21 THR A 189 7.821 11.191 -10.704 1.00 60.21 H new ATOM 0 HG22 THR A 189 7.788 9.632 -11.561 1.00 60.21 H new ATOM 0 HG23 THR A 189 6.382 10.149 -10.600 1.00 60.21 H new ATOM 1162 N ASP A 190 9.269 6.640 -10.415 1.00 10.40 N ATOM 1163 CA ASP A 190 9.873 5.874 -11.499 1.00 32.34 C ATOM 1164 C ASP A 190 9.735 4.375 -11.246 1.00 44.54 C ATOM 1165 O ASP A 190 9.848 3.568 -12.169 1.00 22.23 O ATOM 1166 CB ASP A 190 11.349 6.244 -11.653 1.00 54.24 C ATOM 1167 CG ASP A 190 11.541 7.679 -12.102 1.00 42.50 C ATOM 1168 OD1 ASP A 190 10.671 8.193 -12.836 1.00 24.00 O ATOM 1169 OD2 ASP A 190 12.562 8.289 -11.720 1.00 3.02 O ATOM 0 H ASP A 190 9.821 6.664 -9.557 1.00 10.40 H new ATOM 0 HA ASP A 190 9.347 6.119 -12.422 1.00 32.34 H new ATOM 0 HB2 ASP A 190 11.860 6.092 -10.702 1.00 54.24 H new ATOM 0 HB3 ASP A 190 11.815 5.574 -12.376 1.00 54.24 H new ATOM 1174 N ASP A 191 9.493 4.012 -9.992 1.00 75.20 N ATOM 1175 CA ASP A 191 9.340 2.611 -9.618 1.00 72.41 C ATOM 1176 C ASP A 191 10.618 1.829 -9.904 1.00 45.32 C ATOM 1177 O ASP A 191 10.573 0.639 -10.212 1.00 21.32 O ATOM 1178 CB ASP A 191 8.165 1.985 -10.372 1.00 24.51 C ATOM 1179 CG ASP A 191 7.419 0.963 -9.536 1.00 43.20 C ATOM 1180 OD1 ASP A 191 6.749 1.369 -8.564 1.00 31.42 O ATOM 1181 OD2 ASP A 191 7.507 -0.242 -9.853 1.00 54.35 O ATOM 0 H ASP A 191 9.398 4.668 -9.217 1.00 75.20 H new ATOM 0 HA ASP A 191 9.140 2.566 -8.547 1.00 72.41 H new ATOM 0 HB2 ASP A 191 7.475 2.771 -10.681 1.00 24.51 H new ATOM 0 HB3 ASP A 191 8.533 1.508 -11.281 1.00 24.51 H new ATOM 1186 N GLN A 192 11.756 2.508 -9.801 1.00 43.54 N ATOM 1187 CA GLN A 192 13.047 1.878 -10.051 1.00 60.31 C ATOM 1188 C GLN A 192 14.021 2.161 -8.912 1.00 34.32 C ATOM 1189 O GLN A 192 13.698 2.887 -7.971 1.00 35.12 O ATOM 1190 CB GLN A 192 13.633 2.374 -11.374 1.00 24.21 C ATOM 1191 CG GLN A 192 13.403 1.422 -12.537 1.00 13.14 C ATOM 1192 CD GLN A 192 14.605 1.320 -13.455 1.00 13.12 C ATOM 1193 OE1 GLN A 192 15.746 1.483 -13.022 1.00 61.25 O ATOM 1194 NE2 GLN A 192 14.354 1.049 -14.730 1.00 43.24 N ATOM 0 H GLN A 192 11.810 3.494 -9.546 1.00 43.54 H new ATOM 0 HA GLN A 192 12.891 0.801 -10.112 1.00 60.31 H new ATOM 0 HB2 GLN A 192 13.194 3.342 -11.616 1.00 24.21 H new ATOM 0 HB3 GLN A 192 14.705 2.531 -11.251 1.00 24.21 H new ATOM 0 HG2 GLN A 192 13.162 0.432 -12.149 1.00 13.14 H new ATOM 0 HG3 GLN A 192 12.540 1.758 -13.111 1.00 13.14 H new ATOM 0 HE21 GLN A 192 13.392 0.922 -15.045 1.00 43.24 H new ATOM 0 HE22 GLN A 192 15.123 0.968 -15.395 1.00 43.24 H new ATOM 1203 N LEU A 193 15.213 1.583 -9.002 1.00 63.33 N ATOM 1204 CA LEU A 193 16.235 1.772 -7.979 1.00 1.45 C ATOM 1205 C LEU A 193 17.155 2.935 -8.336 1.00 51.41 C ATOM 1206 O LEU A 193 17.345 3.251 -9.511 1.00 70.52 O ATOM 1207 CB LEU A 193 17.055 0.493 -7.806 1.00 25.13 C ATOM 1208 CG LEU A 193 16.428 -0.594 -6.933 1.00 35.31 C ATOM 1209 CD1 LEU A 193 17.082 -1.940 -7.203 1.00 70.24 C ATOM 1210 CD2 LEU A 193 16.543 -0.229 -5.460 1.00 65.12 C ATOM 0 H LEU A 193 15.496 0.979 -9.774 1.00 63.33 H new ATOM 0 HA LEU A 193 15.734 2.005 -7.039 1.00 1.45 H new ATOM 0 HB2 LEU A 193 17.247 0.072 -8.793 1.00 25.13 H new ATOM 0 HB3 LEU A 193 18.022 0.760 -7.380 1.00 25.13 H new ATOM 0 HG LEU A 193 15.371 -0.670 -7.186 1.00 35.31 H new ATOM 0 HD11 LEU A 193 16.622 -2.701 -6.572 1.00 70.24 H new ATOM 0 HD12 LEU A 193 16.946 -2.207 -8.251 1.00 70.24 H new ATOM 0 HD13 LEU A 193 18.147 -1.878 -6.979 1.00 70.24 H new ATOM 0 HD21 LEU A 193 16.091 -1.014 -4.854 1.00 65.12 H new ATOM 0 HD22 LEU A 193 17.594 -0.124 -5.192 1.00 65.12 H new ATOM 0 HD23 LEU A 193 16.026 0.713 -5.277 1.00 65.12 H new ATOM 1222 N ILE A 194 17.724 3.568 -7.316 1.00 24.23 N ATOM 1223 CA ILE A 194 18.627 4.693 -7.523 1.00 11.41 C ATOM 1224 C ILE A 194 19.692 4.752 -6.433 1.00 12.20 C ATOM 1225 O ILE A 194 19.690 3.903 -5.543 1.00 3.21 O ATOM 1226 CB ILE A 194 17.863 6.030 -7.551 1.00 14.22 C ATOM 1227 CG1 ILE A 194 17.256 6.324 -6.177 1.00 54.34 C ATOM 1228 CG2 ILE A 194 16.780 5.999 -8.619 1.00 34.12 C ATOM 1229 CD1 ILE A 194 16.502 7.634 -6.118 1.00 12.41 C ATOM 0 H ILE A 194 17.576 3.321 -6.338 1.00 24.23 H new ATOM 0 HA ILE A 194 19.108 4.538 -8.489 1.00 11.41 H new ATOM 0 HB ILE A 194 18.564 6.828 -7.796 1.00 14.22 H new ATOM 0 HG12 ILE A 194 16.580 5.513 -5.906 1.00 54.34 H new ATOM 0 HG13 ILE A 194 18.052 6.338 -5.432 1.00 54.34 H new ATOM 0 HG21 ILE A 194 16.249 6.951 -8.626 1.00 34.12 H new ATOM 0 HG22 ILE A 194 17.236 5.830 -9.595 1.00 34.12 H new ATOM 0 HG23 ILE A 194 16.078 5.194 -8.402 1.00 34.12 H new ATOM 0 HD11 ILE A 194 16.099 7.777 -5.115 1.00 12.41 H new ATOM 0 HD12 ILE A 194 17.179 8.454 -6.358 1.00 12.41 H new ATOM 0 HD13 ILE A 194 15.684 7.616 -6.838 1.00 12.41 H new ATOM 1241 N CYS A 195 20.567 5.743 -6.524 1.00 20.32 N ATOM 1242 CA CYS A 195 21.625 5.899 -5.540 1.00 50.12 C ATOM 1243 C CYS A 195 21.379 7.199 -4.772 1.00 53.43 C ATOM 1244 O CYS A 195 20.784 8.152 -5.276 1.00 33.41 O ATOM 1245 CB CYS A 195 23.010 5.874 -6.190 1.00 31.40 C ATOM 1246 SG CYS A 195 23.267 7.394 -7.176 1.00 74.42 S ATOM 0 H CYS A 195 20.565 6.445 -7.264 1.00 20.32 H new ATOM 0 HA CYS A 195 21.606 5.059 -4.846 1.00 50.12 H new ATOM 0 HB2 CYS A 195 23.780 5.794 -5.422 1.00 31.40 H new ATOM 0 HB3 CYS A 195 23.105 4.996 -6.829 1.00 31.40 H new ATOM 0 HG CYS A 195 22.197 7.647 -7.870 1.00 74.42 H new ATOM 1251 N ALA A 196 21.854 7.217 -3.531 1.00 51.54 N ATOM 1252 CA ALA A 196 21.701 8.385 -2.672 1.00 24.21 C ATOM 1253 C ALA A 196 22.289 9.630 -3.328 1.00 21.24 C ATOM 1254 O ALA A 196 21.846 10.749 -3.067 1.00 1.21 O ATOM 1255 CB ALA A 196 22.359 8.136 -1.323 1.00 0.35 C ATOM 0 H ALA A 196 22.348 6.436 -3.098 1.00 51.54 H new ATOM 0 HA ALA A 196 20.636 8.556 -2.519 1.00 24.21 H new ATOM 0 HB1 ALA A 196 22.238 9.016 -0.691 1.00 0.35 H new ATOM 0 HB2 ALA A 196 21.891 7.277 -0.843 1.00 0.35 H new ATOM 0 HB3 ALA A 196 23.421 7.937 -1.467 1.00 0.35 H new ATOM 1261 N LEU A 197 23.289 9.428 -4.179 1.00 12.42 N ATOM 1262 CA LEU A 197 23.938 10.536 -4.872 1.00 63.51 C ATOM 1263 C LEU A 197 23.013 11.136 -5.926 1.00 65.42 C ATOM 1264 O LEU A 197 23.222 12.279 -6.330 1.00 22.41 O ATOM 1265 CB LEU A 197 25.237 10.062 -5.527 1.00 30.51 C ATOM 1266 CG LEU A 197 26.180 11.160 -6.019 1.00 61.23 C ATOM 1267 CD1 LEU A 197 27.051 11.666 -4.880 1.00 11.11 C ATOM 1268 CD2 LEU A 197 27.042 10.649 -7.165 1.00 34.21 C ATOM 0 H LEU A 197 23.668 8.508 -4.406 1.00 12.42 H new ATOM 0 HA LEU A 197 24.169 11.307 -4.137 1.00 63.51 H new ATOM 0 HB2 LEU A 197 25.776 9.442 -4.811 1.00 30.51 H new ATOM 0 HB3 LEU A 197 24.982 9.424 -6.373 1.00 30.51 H new ATOM 0 HG LEU A 197 25.578 11.991 -6.386 1.00 61.23 H new ATOM 0 HD11 LEU A 197 27.716 12.447 -5.249 1.00 11.11 H new ATOM 0 HD12 LEU A 197 26.418 12.071 -4.091 1.00 11.11 H new ATOM 0 HD13 LEU A 197 27.645 10.843 -4.482 1.00 11.11 H new ATOM 0 HD21 LEU A 197 27.707 11.444 -7.503 1.00 34.21 H new ATOM 0 HD22 LEU A 197 27.635 9.800 -6.824 1.00 34.21 H new ATOM 0 HD23 LEU A 197 26.402 10.336 -7.990 1.00 34.21 H new ATOM 1280 N CYS A 198 22.022 10.362 -6.343 1.00 33.05 N ATOM 1281 CA CYS A 198 21.077 10.830 -7.343 1.00 22.42 C ATOM 1282 C CYS A 198 20.047 11.724 -6.650 1.00 31.52 C ATOM 1283 O CYS A 198 19.603 12.742 -7.180 1.00 42.22 O ATOM 1284 CB CYS A 198 20.416 9.666 -8.084 1.00 62.14 C ATOM 1285 SG CYS A 198 21.410 9.214 -9.553 1.00 42.51 S ATOM 0 H CYS A 198 21.853 9.414 -6.007 1.00 33.05 H new ATOM 0 HA CYS A 198 21.604 11.407 -8.103 1.00 22.42 H new ATOM 0 HB2 CYS A 198 20.323 8.807 -7.419 1.00 62.14 H new ATOM 0 HB3 CYS A 198 19.407 9.944 -8.389 1.00 62.14 H new ATOM 0 HG CYS A 198 22.605 8.866 -9.178 1.00 42.51 H new ATOM 1290 N LYS A 199 19.673 11.317 -5.442 1.00 34.34 N ATOM 1291 CA LYS A 199 18.699 12.060 -4.651 1.00 11.11 C ATOM 1292 C LYS A 199 19.319 13.331 -4.080 1.00 12.44 C ATOM 1293 O LYS A 199 18.616 14.301 -3.790 1.00 23.22 O ATOM 1294 CB LYS A 199 18.161 11.187 -3.515 1.00 13.42 C ATOM 1295 CG LYS A 199 16.771 11.586 -3.048 1.00 24.23 C ATOM 1296 CD LYS A 199 16.563 11.261 -1.578 1.00 73.21 C ATOM 1297 CE LYS A 199 16.824 12.473 -0.697 1.00 33.32 C ATOM 1298 NZ LYS A 199 16.258 12.297 0.670 1.00 41.05 N ATOM 0 H LYS A 199 20.030 10.476 -4.989 1.00 34.34 H new ATOM 0 HA LYS A 199 17.874 12.341 -5.306 1.00 11.11 H new ATOM 0 HB2 LYS A 199 18.140 10.148 -3.845 1.00 13.42 H new ATOM 0 HB3 LYS A 199 18.848 11.240 -2.671 1.00 13.42 H new ATOM 0 HG2 LYS A 199 16.624 12.654 -3.210 1.00 24.23 H new ATOM 0 HG3 LYS A 199 16.022 11.067 -3.646 1.00 24.23 H new ATOM 0 HD2 LYS A 199 15.543 10.910 -1.423 1.00 73.21 H new ATOM 0 HD3 LYS A 199 17.228 10.448 -1.286 1.00 73.21 H new ATOM 0 HE2 LYS A 199 17.898 12.646 -0.626 1.00 33.32 H new ATOM 0 HE3 LYS A 199 16.388 13.359 -1.159 1.00 33.32 H new ATOM 0 HZ1 LYS A 199 16.457 13.144 1.240 1.00 41.05 H new ATOM 0 HZ2 LYS A 199 15.230 12.157 0.605 1.00 41.05 H new ATOM 0 HZ3 LYS A 199 16.692 11.467 1.121 1.00 41.05 H new ATOM 1312 N LEU A 200 20.638 13.321 -3.921 1.00 53.42 N ATOM 1313 CA LEU A 200 21.353 14.475 -3.386 1.00 33.21 C ATOM 1314 C LEU A 200 21.496 15.565 -4.443 1.00 0.23 C ATOM 1315 O LEU A 200 21.161 16.725 -4.202 1.00 44.34 O ATOM 1316 CB LEU A 200 22.734 14.054 -2.880 1.00 72.15 C ATOM 1317 CG LEU A 200 23.199 14.705 -1.578 1.00 1.43 C ATOM 1318 CD1 LEU A 200 22.447 14.123 -0.391 1.00 53.13 C ATOM 1319 CD2 LEU A 200 24.700 14.528 -1.399 1.00 52.10 C ATOM 0 H LEU A 200 21.234 12.527 -4.155 1.00 53.42 H new ATOM 0 HA LEU A 200 20.775 14.876 -2.554 1.00 33.21 H new ATOM 0 HB2 LEU A 200 22.734 12.973 -2.742 1.00 72.15 H new ATOM 0 HB3 LEU A 200 23.466 14.277 -3.656 1.00 72.15 H new ATOM 0 HG LEU A 200 22.983 15.772 -1.631 1.00 1.43 H new ATOM 0 HD11 LEU A 200 22.792 14.599 0.527 1.00 53.13 H new ATOM 0 HD12 LEU A 200 21.379 14.302 -0.514 1.00 53.13 H new ATOM 0 HD13 LEU A 200 22.631 13.050 -0.335 1.00 53.13 H new ATOM 0 HD21 LEU A 200 25.013 14.998 -0.467 1.00 52.10 H new ATOM 0 HD22 LEU A 200 24.940 13.465 -1.368 1.00 52.10 H new ATOM 0 HD23 LEU A 200 25.223 14.994 -2.234 1.00 52.10 H new ATOM 1331 N VAL A 201 21.994 15.184 -5.615 1.00 11.40 N ATOM 1332 CA VAL A 201 22.178 16.129 -6.710 1.00 63.34 C ATOM 1333 C VAL A 201 20.884 16.874 -7.017 1.00 43.12 C ATOM 1334 O VAL A 201 20.893 18.080 -7.262 1.00 61.44 O ATOM 1335 CB VAL A 201 22.664 15.418 -7.988 1.00 0.51 C ATOM 1336 CG1 VAL A 201 22.804 16.412 -9.131 1.00 42.10 C ATOM 1337 CG2 VAL A 201 23.980 14.701 -7.730 1.00 62.53 C ATOM 0 H VAL A 201 22.277 14.228 -5.830 1.00 11.40 H new ATOM 0 HA VAL A 201 22.936 16.843 -6.388 1.00 63.34 H new ATOM 0 HB VAL A 201 21.921 14.674 -8.274 1.00 0.51 H new ATOM 0 HG11 VAL A 201 23.148 15.892 -10.025 1.00 42.10 H new ATOM 0 HG12 VAL A 201 21.838 16.876 -9.330 1.00 42.10 H new ATOM 0 HG13 VAL A 201 23.526 17.181 -8.858 1.00 42.10 H new ATOM 0 HG21 VAL A 201 24.309 14.204 -8.643 1.00 62.53 H new ATOM 0 HG22 VAL A 201 24.734 15.424 -7.419 1.00 62.53 H new ATOM 0 HG23 VAL A 201 23.842 13.960 -6.943 1.00 62.53 H new ATOM 1347 N GLY A 202 19.771 16.147 -7.001 1.00 51.31 N ATOM 1348 CA GLY A 202 18.483 16.757 -7.279 1.00 23.42 C ATOM 1349 C GLY A 202 17.662 15.952 -8.266 1.00 60.34 C ATOM 1350 O GLY A 202 16.456 16.162 -8.398 1.00 22.01 O ATOM 0 H GLY A 202 19.738 15.147 -6.801 1.00 51.31 H new ATOM 0 HA2 GLY A 202 17.926 16.862 -6.348 1.00 23.42 H new ATOM 0 HA3 GLY A 202 18.638 17.761 -7.673 1.00 23.42 H new ATOM 1354 N ARG A 203 18.316 15.029 -8.964 1.00 20.52 N ATOM 1355 CA ARG A 203 17.639 14.191 -9.947 1.00 11.52 C ATOM 1356 C ARG A 203 16.405 13.530 -9.340 1.00 12.40 C ATOM 1357 O ARG A 203 15.424 13.264 -10.036 1.00 45.02 O ATOM 1358 CB ARG A 203 18.593 13.122 -10.481 1.00 60.30 C ATOM 1359 CG ARG A 203 19.650 13.666 -11.428 1.00 11.31 C ATOM 1360 CD ARG A 203 20.892 12.790 -11.439 1.00 65.34 C ATOM 1361 NE ARG A 203 20.830 11.766 -12.479 1.00 65.11 N ATOM 1362 CZ ARG A 203 21.053 12.011 -13.766 1.00 32.34 C ATOM 1363 NH1 ARG A 203 21.351 13.238 -14.169 1.00 14.25 N ATOM 1364 NH2 ARG A 203 20.978 11.026 -14.652 1.00 51.21 N ATOM 0 H ARG A 203 19.314 14.843 -8.867 1.00 20.52 H new ATOM 0 HA ARG A 203 17.320 14.828 -10.772 1.00 11.52 H new ATOM 0 HB2 ARG A 203 19.087 12.635 -9.640 1.00 60.30 H new ATOM 0 HB3 ARG A 203 18.014 12.356 -10.997 1.00 60.30 H new ATOM 0 HG2 ARG A 203 19.239 13.729 -12.436 1.00 11.31 H new ATOM 0 HG3 ARG A 203 19.921 14.679 -11.130 1.00 11.31 H new ATOM 0 HD2 ARG A 203 21.773 13.412 -11.595 1.00 65.34 H new ATOM 0 HD3 ARG A 203 21.007 12.312 -10.466 1.00 65.34 H new ATOM 0 HE ARG A 203 20.603 10.811 -12.202 1.00 65.11 H new ATOM 0 HH11 ARG A 203 21.410 13.997 -13.491 1.00 14.25 H new ATOM 0 HH12 ARG A 203 21.522 13.423 -15.158 1.00 14.25 H new ATOM 0 HH21 ARG A 203 20.749 10.081 -14.345 1.00 51.21 H new ATOM 0 HH22 ARG A 203 21.149 11.214 -15.640 1.00 51.21 H new ATOM 1378 N HIS A 204 16.460 13.267 -8.038 1.00 43.51 N ATOM 1379 CA HIS A 204 15.347 12.637 -7.337 1.00 41.33 C ATOM 1380 C HIS A 204 15.115 13.298 -5.982 1.00 30.34 C ATOM 1381 O HIS A 204 14.788 12.628 -5.002 1.00 23.42 O ATOM 1382 CB HIS A 204 15.614 11.143 -7.151 1.00 2.51 C ATOM 1383 CG HIS A 204 15.875 10.417 -8.434 1.00 41.04 C ATOM 1384 ND1 HIS A 204 14.966 9.554 -9.009 1.00 51.22 N ATOM 1385 CD2 HIS A 204 16.951 10.430 -9.256 1.00 54.02 C ATOM 1386 CE1 HIS A 204 15.472 9.067 -10.128 1.00 74.40 C ATOM 1387 NE2 HIS A 204 16.675 9.583 -10.301 1.00 60.30 N ATOM 0 H HIS A 204 17.264 13.480 -7.447 1.00 43.51 H new ATOM 0 HA HIS A 204 14.449 12.765 -7.942 1.00 41.33 H new ATOM 0 HB2 HIS A 204 16.471 11.015 -6.490 1.00 2.51 H new ATOM 0 HB3 HIS A 204 14.757 10.688 -6.654 1.00 2.51 H new ATOM 0 HD2 HIS A 204 17.857 11.000 -9.116 1.00 54.02 H new ATOM 0 HE1 HIS A 204 14.984 8.366 -10.789 1.00 74.40 H new ATOM 0 HE2 HIS A 204 17.298 9.385 -11.084 1.00 60.30 H new ATOM 1394 N ARG A 205 15.287 14.615 -5.933 1.00 72.41 N ATOM 1395 CA ARG A 205 15.098 15.365 -4.697 1.00 60.23 C ATOM 1396 C ARG A 205 13.618 15.451 -4.334 1.00 44.24 C ATOM 1397 O ARG A 205 13.219 15.096 -3.225 1.00 63.12 O ATOM 1398 CB ARG A 205 15.683 16.771 -4.835 1.00 43.40 C ATOM 1399 CG ARG A 205 16.882 17.023 -3.936 1.00 25.14 C ATOM 1400 CD ARG A 205 17.371 18.458 -4.047 1.00 44.54 C ATOM 1401 NE ARG A 205 17.248 19.179 -2.783 1.00 24.42 N ATOM 1402 CZ ARG A 205 18.007 18.933 -1.721 1.00 2.15 C ATOM 1403 NH1 ARG A 205 18.939 17.991 -1.771 1.00 11.14 N ATOM 1404 NH2 ARG A 205 17.835 19.631 -0.605 1.00 42.12 N ATOM 0 H ARG A 205 15.557 15.185 -6.735 1.00 72.41 H new ATOM 0 HA ARG A 205 15.620 14.838 -3.898 1.00 60.23 H new ATOM 0 HB2 ARG A 205 15.977 16.933 -5.872 1.00 43.40 H new ATOM 0 HB3 ARG A 205 14.908 17.502 -4.606 1.00 43.40 H new ATOM 0 HG2 ARG A 205 16.614 16.808 -2.902 1.00 25.14 H new ATOM 0 HG3 ARG A 205 17.689 16.341 -4.204 1.00 25.14 H new ATOM 0 HD2 ARG A 205 18.413 18.462 -4.366 1.00 44.54 H new ATOM 0 HD3 ARG A 205 16.800 18.977 -4.817 1.00 44.54 H new ATOM 0 HE ARG A 205 16.541 19.911 -2.712 1.00 24.42 H new ATOM 0 HH11 ARG A 205 19.075 17.453 -2.627 1.00 11.14 H new ATOM 0 HH12 ARG A 205 19.520 17.805 -0.954 1.00 11.14 H new ATOM 0 HH21 ARG A 205 17.120 20.357 -0.563 1.00 42.12 H new ATOM 0 HH22 ARG A 205 18.418 19.441 0.210 1.00 42.12 H new ATOM 1418 N ASP A 206 12.811 15.926 -5.276 1.00 75.41 N ATOM 1419 CA ASP A 206 11.375 16.058 -5.056 1.00 50.41 C ATOM 1420 C ASP A 206 10.672 14.715 -5.228 1.00 43.43 C ATOM 1421 O ASP A 206 9.460 14.609 -5.043 1.00 14.04 O ATOM 1422 CB ASP A 206 10.782 17.086 -6.022 1.00 64.40 C ATOM 1423 CG ASP A 206 10.742 18.481 -5.430 1.00 60.22 C ATOM 1424 OD1 ASP A 206 11.396 18.704 -4.390 1.00 25.40 O ATOM 1425 OD2 ASP A 206 10.057 19.350 -6.008 1.00 13.22 O ATOM 0 H ASP A 206 13.126 16.226 -6.199 1.00 75.41 H new ATOM 0 HA ASP A 206 11.219 16.400 -4.033 1.00 50.41 H new ATOM 0 HB2 ASP A 206 11.371 17.100 -6.939 1.00 64.40 H new ATOM 0 HB3 ASP A 206 9.772 16.782 -6.297 1.00 64.40 H new ATOM 1430 N HIS A 207 11.442 13.692 -5.585 1.00 51.04 N ATOM 1431 CA HIS A 207 10.893 12.355 -5.783 1.00 50.24 C ATOM 1432 C HIS A 207 10.649 11.664 -4.445 1.00 41.50 C ATOM 1433 O HIS A 207 11.477 11.740 -3.538 1.00 23.41 O ATOM 1434 CB HIS A 207 11.840 11.514 -6.640 1.00 32.23 C ATOM 1435 CG HIS A 207 11.676 11.739 -8.111 1.00 41.03 C ATOM 1436 ND1 HIS A 207 12.408 11.060 -9.063 1.00 34.24 N ATOM 1437 CD2 HIS A 207 10.857 12.573 -8.794 1.00 10.14 C ATOM 1438 CE1 HIS A 207 12.047 11.468 -10.266 1.00 72.52 C ATOM 1439 NE2 HIS A 207 11.107 12.385 -10.131 1.00 12.52 N ATOM 0 H HIS A 207 12.447 13.763 -5.743 1.00 51.04 H new ATOM 0 HA HIS A 207 9.938 12.454 -6.300 1.00 50.24 H new ATOM 0 HB2 HIS A 207 12.869 11.740 -6.359 1.00 32.23 H new ATOM 0 HB3 HIS A 207 11.674 10.459 -6.422 1.00 32.23 H new ATOM 0 HD1 HIS A 207 13.117 10.353 -8.868 1.00 34.24 H new ATOM 0 HD2 HIS A 207 10.140 13.259 -8.367 1.00 10.14 H new ATOM 0 HE1 HIS A 207 12.452 11.112 -11.202 1.00 72.52 H new ATOM 1446 N GLN A 208 9.508 10.993 -4.330 1.00 54.43 N ATOM 1447 CA GLN A 208 9.155 10.291 -3.102 1.00 41.11 C ATOM 1448 C GLN A 208 9.848 8.934 -3.033 1.00 10.22 C ATOM 1449 O GLN A 208 9.395 7.962 -3.638 1.00 13.44 O ATOM 1450 CB GLN A 208 7.639 10.108 -3.011 1.00 41.04 C ATOM 1451 CG GLN A 208 7.150 9.771 -1.612 1.00 74.23 C ATOM 1452 CD GLN A 208 5.845 8.999 -1.621 1.00 21.52 C ATOM 1453 OE1 GLN A 208 5.083 9.056 -2.586 1.00 34.20 O ATOM 1454 NE2 GLN A 208 5.581 8.270 -0.542 1.00 61.15 N ATOM 0 H GLN A 208 8.812 10.921 -5.072 1.00 54.43 H new ATOM 0 HA GLN A 208 9.492 10.894 -2.259 1.00 41.11 H new ATOM 0 HB2 GLN A 208 7.150 11.022 -3.347 1.00 41.04 H new ATOM 0 HB3 GLN A 208 7.336 9.315 -3.694 1.00 41.04 H new ATOM 0 HG2 GLN A 208 7.911 9.185 -1.096 1.00 74.23 H new ATOM 0 HG3 GLN A 208 7.019 10.693 -1.045 1.00 74.23 H new ATOM 0 HE21 GLN A 208 6.241 8.252 0.235 1.00 61.15 H new ATOM 0 HE22 GLN A 208 4.718 7.729 -0.491 1.00 61.15 H new ATOM 1463 N VAL A 209 10.950 8.875 -2.292 1.00 11.13 N ATOM 1464 CA VAL A 209 11.705 7.637 -2.143 1.00 5.14 C ATOM 1465 C VAL A 209 11.608 7.102 -0.718 1.00 62.14 C ATOM 1466 O VAL A 209 10.989 7.720 0.147 1.00 40.22 O ATOM 1467 CB VAL A 209 13.189 7.838 -2.504 1.00 3.25 C ATOM 1468 CG1 VAL A 209 13.331 8.281 -3.952 1.00 5.34 C ATOM 1469 CG2 VAL A 209 13.834 8.845 -1.563 1.00 40.44 C ATOM 0 H VAL A 209 11.340 9.670 -1.786 1.00 11.13 H new ATOM 0 HA VAL A 209 11.266 6.914 -2.830 1.00 5.14 H new ATOM 0 HB VAL A 209 13.706 6.885 -2.389 1.00 3.25 H new ATOM 0 HG11 VAL A 209 14.386 8.418 -4.189 1.00 5.34 H new ATOM 0 HG12 VAL A 209 12.908 7.521 -4.608 1.00 5.34 H new ATOM 0 HG13 VAL A 209 12.801 9.222 -4.098 1.00 5.34 H new ATOM 0 HG21 VAL A 209 14.882 8.975 -1.832 1.00 40.44 H new ATOM 0 HG22 VAL A 209 13.317 9.801 -1.644 1.00 40.44 H new ATOM 0 HG23 VAL A 209 13.765 8.481 -0.538 1.00 40.44 H new ATOM 1479 N ALA A 210 12.225 5.949 -0.482 1.00 73.52 N ATOM 1480 CA ALA A 210 12.210 5.331 0.838 1.00 71.20 C ATOM 1481 C ALA A 210 13.626 5.056 1.332 1.00 44.35 C ATOM 1482 O ALA A 210 14.417 4.407 0.648 1.00 71.31 O ATOM 1483 CB ALA A 210 11.400 4.043 0.809 1.00 1.01 C ATOM 0 H ALA A 210 12.741 5.424 -1.188 1.00 73.52 H new ATOM 0 HA ALA A 210 11.740 6.028 1.532 1.00 71.20 H new ATOM 0 HB1 ALA A 210 11.397 3.592 1.801 1.00 1.01 H new ATOM 0 HB2 ALA A 210 10.376 4.264 0.508 1.00 1.01 H new ATOM 0 HB3 ALA A 210 11.846 3.349 0.097 1.00 1.01 H new ATOM 1489 N ALA A 211 13.940 5.556 2.522 1.00 3.03 N ATOM 1490 CA ALA A 211 15.261 5.363 3.108 1.00 43.25 C ATOM 1491 C ALA A 211 15.296 4.116 3.985 1.00 44.42 C ATOM 1492 O ALA A 211 14.951 4.166 5.166 1.00 4.12 O ATOM 1493 CB ALA A 211 15.666 6.589 3.913 1.00 51.12 C ATOM 0 H ALA A 211 13.298 6.098 3.100 1.00 3.03 H new ATOM 0 HA ALA A 211 15.974 5.224 2.296 1.00 43.25 H new ATOM 0 HB1 ALA A 211 16.654 6.431 4.345 1.00 51.12 H new ATOM 0 HB2 ALA A 211 15.691 7.461 3.260 1.00 51.12 H new ATOM 0 HB3 ALA A 211 14.943 6.755 4.712 1.00 51.12 H new