USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=19 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 175 CYS SG : rot 148:sc= 0.151 USER MOD Set 1.2: A 178 HIS : no HD1:sc= -1.12 K(o=0.18,f=0.97) USER MOD Set 1.3: A 195 CYS SG : rot -48:sc= 0.461 USER MOD Set 1.4: A 198 CYS SG : rot 50:sc= 0.687 USER MOD Set 2.1: A 187 CYS SG : rot 167:sc= 0.409 USER MOD Set 2.2: A 204 HIS : no HD1:sc= -1.43 K(o=0.18,f=-2.1) USER MOD Set 2.3: A 207 HIS : no HE2:sc= 1.2 K(o=0.18,f=-9.3!) USER MOD Set 3.1: A 134 CYS SG : rot 58:sc= 1.08 USER MOD Set 3.2: A 137 CYS SG : rot 93:sc= 0 USER MOD Set 3.3: A 150 HIS : no HD1:sc= 0.186 K(o=1.6,f=-4.2!) USER MOD Set 3.4: A 159 HIS : no HE2:sc= 0.329 K(o=1.6,f=-7.6!) USER MOD Set 4.1: A 133 THR OG1 : rot 96:sc= 0.612 USER MOD Set 4.2: A 140 SER OG : rot 53:sc= -0.142 USER MOD Set 5.1: A 119 CYS SG : rot -158:sc= 0.108 USER MOD Set 5.2: A 122 CYS SG : rot 36:sc= 0.414 USER MOD Set 5.3: A 124 GLN : amide:sc= -0.228 K(o=1.2,f=-2.6!) USER MOD Set 5.4: A 128 GLN : amide:sc= 0 X(o=1.2,f=0.92) USER MOD Set 5.5: A 142 CYS SG : rot -136:sc= -0.123 USER MOD Set 5.6: A 145 CYS SG : rot -152:sc= 0.994 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.9!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot -80:sc= -1.51 USER MOD Single : A 141 TYR OH : rot -65:sc= 3.07 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 THR OG1 : rot -68:sc= 0.763 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 X(o=0,f=0) USER MOD Single : A 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot -11:sc= -1.19 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -1.63 K(o=-1.6,f=-3.3) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 26 N LYS A 116 2.252 2.701 -5.183 1.00 44.11 N ATOM 27 CA LYS A 116 2.888 2.587 -6.490 1.00 64.21 C ATOM 28 C LYS A 116 2.065 3.296 -7.560 1.00 55.20 C ATOM 29 O LYS A 116 0.841 3.168 -7.602 1.00 71.32 O ATOM 30 CB LYS A 116 3.071 1.114 -6.865 1.00 14.25 C ATOM 31 CG LYS A 116 4.115 0.398 -6.026 1.00 10.12 C ATOM 32 CD LYS A 116 3.938 -1.110 -6.083 1.00 14.12 C ATOM 33 CE LYS A 116 3.231 -1.635 -4.842 1.00 63.34 C ATOM 34 NZ LYS A 116 2.754 -3.034 -5.027 1.00 13.24 N ATOM 0 HA LYS A 116 3.866 3.065 -6.433 1.00 64.21 H new ATOM 0 HB2 LYS A 116 2.116 0.599 -6.758 1.00 14.25 H new ATOM 0 HB3 LYS A 116 3.353 1.048 -7.916 1.00 14.25 H new ATOM 0 HG2 LYS A 116 5.111 0.662 -6.380 1.00 10.12 H new ATOM 0 HG3 LYS A 116 4.045 0.735 -4.992 1.00 10.12 H new ATOM 0 HD2 LYS A 116 3.364 -1.377 -6.970 1.00 14.12 H new ATOM 0 HD3 LYS A 116 4.913 -1.589 -6.178 1.00 14.12 H new ATOM 0 HE2 LYS A 116 3.911 -1.592 -3.991 1.00 63.34 H new ATOM 0 HE3 LYS A 116 2.384 -0.990 -4.606 1.00 63.34 H new ATOM 0 HZ1 LYS A 116 2.278 -3.356 -4.160 1.00 13.24 H new ATOM 0 HZ2 LYS A 116 2.086 -3.071 -5.823 1.00 13.24 H new ATOM 0 HZ3 LYS A 116 3.565 -3.654 -5.227 1.00 13.24 H new ATOM 48 N VAL A 117 2.743 4.044 -8.424 1.00 63.14 N ATOM 49 CA VAL A 117 2.074 4.771 -9.496 1.00 42.42 C ATOM 50 C VAL A 117 1.691 3.837 -10.639 1.00 1.44 C ATOM 51 O VAL A 117 2.425 2.904 -10.965 1.00 23.45 O ATOM 52 CB VAL A 117 2.964 5.902 -10.048 1.00 34.51 C ATOM 53 CG1 VAL A 117 4.178 5.326 -10.760 1.00 61.11 C ATOM 54 CG2 VAL A 117 2.165 6.801 -10.980 1.00 22.43 C ATOM 0 H VAL A 117 3.756 4.163 -8.403 1.00 63.14 H new ATOM 0 HA VAL A 117 1.171 5.205 -9.068 1.00 42.42 H new ATOM 0 HB VAL A 117 3.316 6.506 -9.212 1.00 34.51 H new ATOM 0 HG11 VAL A 117 4.795 6.139 -11.143 1.00 61.11 H new ATOM 0 HG12 VAL A 117 4.761 4.728 -10.060 1.00 61.11 H new ATOM 0 HG13 VAL A 117 3.850 4.698 -11.588 1.00 61.11 H new ATOM 0 HG21 VAL A 117 2.809 7.594 -11.361 1.00 22.43 H new ATOM 0 HG22 VAL A 117 1.783 6.212 -11.814 1.00 22.43 H new ATOM 0 HG23 VAL A 117 1.331 7.241 -10.434 1.00 22.43 H new ATOM 64 N LEU A 118 0.537 4.095 -11.244 1.00 43.14 N ATOM 65 CA LEU A 118 0.056 3.278 -12.352 1.00 74.44 C ATOM 66 C LEU A 118 0.442 3.895 -13.693 1.00 24.43 C ATOM 67 O LEU A 118 0.460 5.119 -13.809 1.00 74.14 O ATOM 68 CB LEU A 118 -1.463 3.117 -12.271 1.00 55.51 C ATOM 69 CG LEU A 118 -1.983 2.198 -11.166 1.00 33.05 C ATOM 70 CD1 LEU A 118 -3.362 2.644 -10.704 1.00 51.24 C ATOM 71 CD2 LEU A 118 -2.021 0.755 -11.646 1.00 61.41 C ATOM 0 H LEU A 118 -0.083 4.863 -10.986 1.00 43.14 H new ATOM 0 HA LEU A 118 0.524 2.297 -12.276 1.00 74.44 H new ATOM 0 HB2 LEU A 118 -1.906 4.103 -12.134 1.00 55.51 H new ATOM 0 HB3 LEU A 118 -1.820 2.738 -13.229 1.00 55.51 H new ATOM 0 HG LEU A 118 -1.301 2.260 -10.318 1.00 33.05 H new ATOM 0 HD11 LEU A 118 -3.715 1.978 -9.917 1.00 51.24 H new ATOM 0 HD12 LEU A 118 -3.305 3.662 -10.319 1.00 51.24 H new ATOM 0 HD13 LEU A 118 -4.055 2.612 -11.545 1.00 51.24 H new ATOM 0 HD21 LEU A 118 -2.394 0.115 -10.846 1.00 61.41 H new ATOM 0 HD22 LEU A 118 -2.680 0.676 -12.511 1.00 61.41 H new ATOM 0 HD23 LEU A 118 -1.016 0.438 -11.926 1.00 61.41 H new ATOM 83 N CYS A 119 0.739 3.044 -14.664 1.00 71.13 N ATOM 84 CA CYS A 119 1.119 3.518 -15.984 1.00 41.10 C ATOM 85 C CYS A 119 0.020 4.453 -16.493 1.00 45.33 C ATOM 86 O CYS A 119 -1.071 4.030 -16.873 1.00 11.14 O ATOM 87 CB CYS A 119 1.375 2.359 -16.950 1.00 11.14 C ATOM 88 SG CYS A 119 2.076 2.993 -18.516 1.00 43.14 S ATOM 0 H CYS A 119 0.724 2.029 -14.563 1.00 71.13 H new ATOM 0 HA CYS A 119 2.060 4.065 -15.920 1.00 41.10 H new ATOM 0 HB2 CYS A 119 2.062 1.643 -16.498 1.00 11.14 H new ATOM 0 HB3 CYS A 119 0.444 1.827 -17.148 1.00 11.14 H new ATOM 0 HG CYS A 119 1.856 2.136 -19.468 1.00 43.14 H new ATOM 93 N GLN A 120 0.337 5.744 -16.493 1.00 11.21 N ATOM 94 CA GLN A 120 -0.604 6.761 -16.948 1.00 63.14 C ATOM 95 C GLN A 120 -0.898 6.602 -18.436 1.00 51.55 C ATOM 96 O GLN A 120 -1.947 7.028 -18.921 1.00 41.11 O ATOM 97 CB GLN A 120 -0.049 8.159 -16.672 1.00 41.43 C ATOM 98 CG GLN A 120 -1.099 9.256 -16.744 1.00 75.25 C ATOM 99 CD GLN A 120 -0.700 10.499 -15.974 1.00 20.54 C ATOM 100 OE1 GLN A 120 0.294 10.499 -15.246 1.00 54.21 O ATOM 101 NE2 GLN A 120 -1.474 11.566 -16.129 1.00 41.31 N ATOM 0 H GLN A 120 1.237 6.110 -16.183 1.00 11.21 H new ATOM 0 HA GLN A 120 -1.535 6.632 -16.396 1.00 63.14 H new ATOM 0 HB2 GLN A 120 0.409 8.170 -15.683 1.00 41.43 H new ATOM 0 HB3 GLN A 120 0.741 8.376 -17.391 1.00 41.43 H new ATOM 0 HG2 GLN A 120 -1.272 9.520 -17.787 1.00 75.25 H new ATOM 0 HG3 GLN A 120 -2.042 8.877 -16.350 1.00 75.25 H new ATOM 0 HE21 GLN A 120 -2.288 11.521 -16.742 1.00 41.31 H new ATOM 0 HE22 GLN A 120 -1.255 12.431 -15.635 1.00 41.31 H new ATOM 110 N PHE A 121 0.034 5.988 -19.157 1.00 22.11 N ATOM 111 CA PHE A 121 -0.125 5.774 -20.591 1.00 3.44 C ATOM 112 C PHE A 121 -0.563 4.342 -20.882 1.00 10.11 C ATOM 113 O PHE A 121 -0.096 3.755 -21.857 1.00 3.04 O ATOM 114 CB PHE A 121 1.185 6.077 -21.321 1.00 41.42 C ATOM 115 CG PHE A 121 1.351 7.527 -21.678 1.00 71.11 C ATOM 116 CD1 PHE A 121 1.057 8.519 -20.757 1.00 14.02 C ATOM 117 CD2 PHE A 121 1.801 7.897 -22.935 1.00 54.42 C ATOM 118 CE1 PHE A 121 1.208 9.854 -21.082 1.00 25.12 C ATOM 119 CE2 PHE A 121 1.955 9.230 -23.266 1.00 12.52 C ATOM 120 CZ PHE A 121 1.657 10.210 -22.338 1.00 62.15 C ATOM 0 H PHE A 121 0.908 5.630 -18.772 1.00 22.11 H new ATOM 0 HA PHE A 121 -0.899 6.452 -20.951 1.00 3.44 H new ATOM 0 HB2 PHE A 121 2.021 5.767 -20.694 1.00 41.42 H new ATOM 0 HB3 PHE A 121 1.231 5.479 -22.231 1.00 41.42 H new ATOM 0 HD1 PHE A 121 0.705 8.246 -19.773 1.00 14.02 H new ATOM 0 HD2 PHE A 121 2.034 7.135 -23.664 1.00 54.42 H new ATOM 0 HE1 PHE A 121 0.975 10.617 -20.354 1.00 25.12 H new ATOM 0 HE2 PHE A 121 2.308 9.506 -24.249 1.00 12.52 H new ATOM 0 HZ PHE A 121 1.775 11.252 -22.595 1.00 62.15 H new ATOM 130 N CYS A 122 -1.441 3.817 -20.040 1.00 2.35 N ATOM 131 CA CYS A 122 -1.929 2.461 -20.217 1.00 75.50 C ATOM 132 C CYS A 122 -3.431 2.524 -20.505 1.00 2.54 C ATOM 133 O CYS A 122 -4.170 3.330 -19.938 1.00 60.13 O ATOM 134 CB CYS A 122 -1.618 1.584 -19.003 1.00 21.44 C ATOM 135 SG CYS A 122 -0.456 0.251 -19.474 1.00 43.15 S ATOM 0 H CYS A 122 -1.827 4.307 -19.233 1.00 2.35 H new ATOM 0 HA CYS A 122 -1.417 1.996 -21.059 1.00 75.50 H new ATOM 0 HB2 CYS A 122 -1.185 2.190 -18.207 1.00 21.44 H new ATOM 0 HB3 CYS A 122 -2.539 1.153 -18.610 1.00 21.44 H new ATOM 0 HG CYS A 122 0.396 0.705 -20.345 1.00 43.15 H new ATOM 140 N ASP A 123 -3.868 1.651 -21.405 1.00 22.44 N ATOM 141 CA ASP A 123 -5.274 1.585 -21.787 1.00 45.00 C ATOM 142 C ASP A 123 -5.790 0.151 -21.716 1.00 2.34 C ATOM 143 O ASP A 123 -6.609 -0.264 -22.534 1.00 72.25 O ATOM 144 CB ASP A 123 -5.466 2.140 -23.199 1.00 74.02 C ATOM 145 CG ASP A 123 -6.858 2.700 -23.416 1.00 74.21 C ATOM 146 OD1 ASP A 123 -7.672 2.652 -22.469 1.00 43.23 O ATOM 147 OD2 ASP A 123 -7.134 3.186 -24.532 1.00 54.44 O ATOM 0 H ASP A 123 -3.269 0.979 -21.884 1.00 22.44 H new ATOM 0 HA ASP A 123 -5.845 2.192 -21.085 1.00 45.00 H new ATOM 0 HB2 ASP A 123 -4.730 2.923 -23.382 1.00 74.02 H new ATOM 0 HB3 ASP A 123 -5.278 1.350 -23.926 1.00 74.02 H new ATOM 152 N GLN A 124 -5.304 -0.599 -20.732 1.00 63.01 N ATOM 153 CA GLN A 124 -5.715 -1.987 -20.556 1.00 12.32 C ATOM 154 C GLN A 124 -7.100 -2.068 -19.922 1.00 52.53 C ATOM 155 O GLN A 124 -7.980 -2.771 -20.418 1.00 32.40 O ATOM 156 CB GLN A 124 -4.701 -2.735 -19.690 1.00 23.43 C ATOM 157 CG GLN A 124 -3.619 -3.441 -20.492 1.00 0.41 C ATOM 158 CD GLN A 124 -2.585 -4.114 -19.611 1.00 42.14 C ATOM 159 OE1 GLN A 124 -1.942 -3.467 -18.784 1.00 25.50 O ATOM 160 NE2 GLN A 124 -2.419 -5.420 -19.785 1.00 13.01 N ATOM 0 H GLN A 124 -4.626 -0.269 -20.045 1.00 63.01 H new ATOM 0 HA GLN A 124 -5.757 -2.455 -21.540 1.00 12.32 H new ATOM 0 HB2 GLN A 124 -4.231 -2.030 -19.004 1.00 23.43 H new ATOM 0 HB3 GLN A 124 -5.228 -3.470 -19.081 1.00 23.43 H new ATOM 0 HG2 GLN A 124 -4.080 -4.187 -21.139 1.00 0.41 H new ATOM 0 HG3 GLN A 124 -3.123 -2.719 -21.141 1.00 0.41 H new ATOM 0 HE21 GLN A 124 -2.974 -5.916 -20.482 1.00 13.01 H new ATOM 0 HE22 GLN A 124 -1.737 -5.927 -19.221 1.00 13.01 H new ATOM 169 N ASP A 125 -7.286 -1.343 -18.824 1.00 71.14 N ATOM 170 CA ASP A 125 -8.565 -1.332 -18.123 1.00 24.20 C ATOM 171 C ASP A 125 -8.906 -2.722 -17.595 1.00 14.24 C ATOM 172 O ASP A 125 -9.599 -3.506 -18.243 1.00 62.43 O ATOM 173 CB ASP A 125 -9.676 -0.838 -19.051 1.00 65.31 C ATOM 174 CG ASP A 125 -10.114 0.576 -18.728 1.00 10.45 C ATOM 175 OD1 ASP A 125 -9.287 1.347 -18.198 1.00 44.11 O ATOM 176 OD2 ASP A 125 -11.285 0.913 -19.003 1.00 30.40 O ATOM 0 H ASP A 125 -6.568 -0.756 -18.400 1.00 71.14 H new ATOM 0 HA ASP A 125 -8.482 -0.651 -17.276 1.00 24.20 H new ATOM 0 HB2 ASP A 125 -9.329 -0.881 -20.083 1.00 65.31 H new ATOM 0 HB3 ASP A 125 -10.533 -1.507 -18.975 1.00 65.31 H new ATOM 181 N PRO A 126 -8.409 -3.036 -16.389 1.00 14.41 N ATOM 182 CA PRO A 126 -7.584 -2.110 -15.608 1.00 25.01 C ATOM 183 C PRO A 126 -6.207 -1.896 -16.228 1.00 71.53 C ATOM 184 O PRO A 126 -5.719 -2.737 -16.983 1.00 52.24 O ATOM 185 CB PRO A 126 -7.456 -2.807 -14.251 1.00 12.00 C ATOM 186 CG PRO A 126 -7.644 -4.254 -14.549 1.00 63.45 C ATOM 187 CD PRO A 126 -8.615 -4.318 -15.696 1.00 21.43 C ATOM 0 HA PRO A 126 -8.029 -1.116 -15.552 1.00 25.01 H new ATOM 0 HB2 PRO A 126 -6.482 -2.619 -13.800 1.00 12.00 H new ATOM 0 HB3 PRO A 126 -8.207 -2.447 -13.548 1.00 12.00 H new ATOM 0 HG2 PRO A 126 -6.697 -4.724 -14.813 1.00 63.45 H new ATOM 0 HG3 PRO A 126 -8.032 -4.784 -13.679 1.00 63.45 H new ATOM 0 HD2 PRO A 126 -8.409 -5.166 -16.350 1.00 21.43 H new ATOM 0 HD3 PRO A 126 -9.642 -4.426 -15.347 1.00 21.43 H new ATOM 195 N ALA A 127 -5.586 -0.767 -15.904 1.00 62.24 N ATOM 196 CA ALA A 127 -4.264 -0.445 -16.428 1.00 53.02 C ATOM 197 C ALA A 127 -3.170 -1.129 -15.616 1.00 0.34 C ATOM 198 O ALA A 127 -3.425 -1.652 -14.531 1.00 53.14 O ATOM 199 CB ALA A 127 -4.054 1.062 -16.438 1.00 65.22 C ATOM 0 H ALA A 127 -5.977 -0.060 -15.281 1.00 62.24 H new ATOM 0 HA ALA A 127 -4.205 -0.816 -17.451 1.00 53.02 H new ATOM 0 HB1 ALA A 127 -3.063 1.289 -16.831 1.00 65.22 H new ATOM 0 HB2 ALA A 127 -4.810 1.531 -17.068 1.00 65.22 H new ATOM 0 HB3 ALA A 127 -4.138 1.448 -15.422 1.00 65.22 H new ATOM 205 N GLN A 128 -1.952 -1.121 -16.147 1.00 41.24 N ATOM 206 CA GLN A 128 -0.819 -1.742 -15.471 1.00 35.11 C ATOM 207 C GLN A 128 -0.040 -0.714 -14.658 1.00 42.43 C ATOM 208 O GLN A 128 -0.375 0.471 -14.652 1.00 75.10 O ATOM 209 CB GLN A 128 0.105 -2.412 -16.489 1.00 32.20 C ATOM 210 CG GLN A 128 0.114 -3.930 -16.396 1.00 53.52 C ATOM 211 CD GLN A 128 1.315 -4.549 -17.083 1.00 74.22 C ATOM 212 OE1 GLN A 128 1.830 -4.011 -18.063 1.00 52.25 O ATOM 213 NE2 GLN A 128 1.768 -5.687 -16.571 1.00 71.51 N ATOM 0 H GLN A 128 -1.724 -0.691 -17.044 1.00 41.24 H new ATOM 0 HA GLN A 128 -1.206 -2.499 -14.789 1.00 35.11 H new ATOM 0 HB2 GLN A 128 -0.202 -2.120 -17.493 1.00 32.20 H new ATOM 0 HB3 GLN A 128 1.120 -2.041 -16.345 1.00 32.20 H new ATOM 0 HG2 GLN A 128 0.108 -4.226 -15.347 1.00 53.52 H new ATOM 0 HG3 GLN A 128 -0.799 -4.323 -16.844 1.00 53.52 H new ATOM 0 HE21 GLN A 128 1.310 -6.098 -15.757 1.00 71.51 H new ATOM 0 HE22 GLN A 128 2.574 -6.150 -16.991 1.00 71.51 H new ATOM 222 N ASP A 129 1.002 -1.174 -13.974 1.00 54.00 N ATOM 223 CA ASP A 129 1.830 -0.294 -13.158 1.00 51.31 C ATOM 224 C ASP A 129 3.180 -0.046 -13.824 1.00 72.32 C ATOM 225 O ASP A 129 3.669 -0.879 -14.587 1.00 33.33 O ATOM 226 CB ASP A 129 2.036 -0.897 -11.768 1.00 2.54 C ATOM 227 CG ASP A 129 2.954 -2.103 -11.790 1.00 71.11 C ATOM 228 OD1 ASP A 129 2.675 -3.047 -12.559 1.00 41.24 O ATOM 229 OD2 ASP A 129 3.951 -2.103 -11.039 1.00 23.41 O ATOM 0 H ASP A 129 1.293 -2.152 -13.969 1.00 54.00 H new ATOM 0 HA ASP A 129 1.314 0.661 -13.058 1.00 51.31 H new ATOM 0 HB2 ASP A 129 2.453 -0.139 -11.105 1.00 2.54 H new ATOM 0 HB3 ASP A 129 1.070 -1.187 -11.354 1.00 2.54 H new ATOM 234 N ALA A 130 3.776 1.105 -13.531 1.00 63.35 N ATOM 235 CA ALA A 130 5.070 1.461 -14.101 1.00 53.41 C ATOM 236 C ALA A 130 6.210 0.818 -13.320 1.00 30.33 C ATOM 237 O ALA A 130 6.362 1.049 -12.120 1.00 32.50 O ATOM 238 CB ALA A 130 5.235 2.974 -14.130 1.00 73.40 C ATOM 0 H ALA A 130 3.384 1.806 -12.903 1.00 63.35 H new ATOM 0 HA ALA A 130 5.106 1.082 -15.122 1.00 53.41 H new ATOM 0 HB1 ALA A 130 6.205 3.226 -14.558 1.00 73.40 H new ATOM 0 HB2 ALA A 130 4.445 3.415 -14.738 1.00 73.40 H new ATOM 0 HB3 ALA A 130 5.173 3.366 -13.115 1.00 73.40 H new ATOM 244 N VAL A 131 7.010 0.008 -14.007 1.00 53.52 N ATOM 245 CA VAL A 131 8.137 -0.669 -13.377 1.00 51.44 C ATOM 246 C VAL A 131 9.464 -0.101 -13.869 1.00 15.52 C ATOM 247 O VAL A 131 10.484 -0.198 -13.187 1.00 42.41 O ATOM 248 CB VAL A 131 8.106 -2.184 -13.652 1.00 44.24 C ATOM 249 CG1 VAL A 131 6.861 -2.812 -13.046 1.00 53.22 C ATOM 250 CG2 VAL A 131 8.177 -2.455 -15.148 1.00 15.14 C ATOM 0 H VAL A 131 6.898 -0.195 -15.000 1.00 53.52 H new ATOM 0 HA VAL A 131 8.048 -0.500 -12.304 1.00 51.44 H new ATOM 0 HB VAL A 131 8.978 -2.639 -13.182 1.00 44.24 H new ATOM 0 HG11 VAL A 131 6.857 -3.883 -13.251 1.00 53.22 H new ATOM 0 HG12 VAL A 131 6.859 -2.649 -11.968 1.00 53.22 H new ATOM 0 HG13 VAL A 131 5.973 -2.356 -13.484 1.00 53.22 H new ATOM 0 HG21 VAL A 131 8.154 -3.530 -15.324 1.00 15.14 H new ATOM 0 HG22 VAL A 131 7.326 -1.988 -15.643 1.00 15.14 H new ATOM 0 HG23 VAL A 131 9.102 -2.041 -15.549 1.00 15.14 H new ATOM 260 N LYS A 132 9.442 0.494 -15.057 1.00 24.20 N ATOM 261 CA LYS A 132 10.643 1.080 -15.641 1.00 53.31 C ATOM 262 C LYS A 132 10.478 2.585 -15.827 1.00 53.23 C ATOM 263 O LYS A 132 9.366 3.111 -15.766 1.00 52.10 O ATOM 264 CB LYS A 132 10.955 0.420 -16.986 1.00 40.51 C ATOM 265 CG LYS A 132 11.883 -0.777 -16.875 1.00 40.24 C ATOM 266 CD LYS A 132 12.275 -1.307 -18.244 1.00 61.03 C ATOM 267 CE LYS A 132 12.567 -2.799 -18.201 1.00 64.14 C ATOM 268 NZ LYS A 132 13.953 -3.080 -17.734 1.00 0.44 N ATOM 0 H LYS A 132 8.606 0.583 -15.634 1.00 24.20 H new ATOM 0 HA LYS A 132 11.473 0.905 -14.956 1.00 53.31 H new ATOM 0 HB2 LYS A 132 10.021 0.104 -17.451 1.00 40.51 H new ATOM 0 HB3 LYS A 132 11.406 1.159 -17.648 1.00 40.51 H new ATOM 0 HG2 LYS A 132 12.779 -0.494 -16.323 1.00 40.24 H new ATOM 0 HG3 LYS A 132 11.394 -1.566 -16.305 1.00 40.24 H new ATOM 0 HD2 LYS A 132 11.471 -1.113 -18.954 1.00 61.03 H new ATOM 0 HD3 LYS A 132 13.155 -0.773 -18.604 1.00 61.03 H new ATOM 0 HE2 LYS A 132 11.854 -3.290 -17.538 1.00 64.14 H new ATOM 0 HE3 LYS A 132 12.425 -3.226 -19.194 1.00 64.14 H new ATOM 0 HZ1 LYS A 132 14.113 -4.108 -17.719 1.00 0.44 H new ATOM 0 HZ2 LYS A 132 14.634 -2.633 -18.380 1.00 0.44 H new ATOM 0 HZ3 LYS A 132 14.081 -2.695 -16.776 1.00 0.44 H new ATOM 282 N THR A 133 11.591 3.274 -16.057 1.00 3.44 N ATOM 283 CA THR A 133 11.570 4.718 -16.252 1.00 51.42 C ATOM 284 C THR A 133 12.772 5.181 -17.067 1.00 63.21 C ATOM 285 O THR A 133 13.899 4.813 -16.739 1.00 21.41 O ATOM 286 CB THR A 133 11.558 5.468 -14.906 1.00 74.53 C ATOM 287 OG1 THR A 133 10.468 5.007 -14.099 1.00 50.13 O ATOM 288 CG2 THR A 133 11.436 6.968 -15.123 1.00 53.24 C ATOM 0 H THR A 133 12.519 2.855 -16.113 1.00 3.44 H new ATOM 0 HA THR A 133 10.654 4.949 -16.796 1.00 51.42 H new ATOM 0 HB THR A 133 12.499 5.267 -14.394 1.00 74.53 H new ATOM 0 HG1 THR A 133 10.787 4.316 -13.481 1.00 50.13 H new ATOM 0 HG21 THR A 133 11.430 7.476 -14.159 1.00 53.24 H new ATOM 0 HG22 THR A 133 12.282 7.320 -15.713 1.00 53.24 H new ATOM 0 HG23 THR A 133 10.509 7.185 -15.653 1.00 53.24 H new ATOM 296 N CYS A 134 12.511 5.969 -18.100 1.00 24.13 N ATOM 297 CA CYS A 134 13.580 6.471 -18.947 1.00 31.12 C ATOM 298 C CYS A 134 13.963 7.869 -18.458 1.00 44.24 C ATOM 299 O CYS A 134 13.118 8.696 -18.114 1.00 62.44 O ATOM 300 CB CYS A 134 13.178 6.472 -20.423 1.00 42.31 C ATOM 301 SG CYS A 134 14.540 7.148 -21.442 1.00 23.43 S ATOM 0 H CYS A 134 11.575 6.272 -18.370 1.00 24.13 H new ATOM 0 HA CYS A 134 14.446 5.812 -18.875 1.00 31.12 H new ATOM 0 HB2 CYS A 134 12.941 5.458 -20.745 1.00 42.31 H new ATOM 0 HB3 CYS A 134 12.277 7.069 -20.563 1.00 42.31 H new ATOM 0 HG CYS A 134 15.612 6.436 -21.260 1.00 23.43 H new ATOM 306 N VAL A 135 15.269 8.118 -18.435 1.00 60.24 N ATOM 307 CA VAL A 135 15.795 9.405 -17.996 1.00 74.11 C ATOM 308 C VAL A 135 15.704 10.444 -19.108 1.00 64.11 C ATOM 309 O VAL A 135 15.163 11.533 -18.914 1.00 73.30 O ATOM 310 CB VAL A 135 17.260 9.286 -17.537 1.00 61.35 C ATOM 311 CG1 VAL A 135 17.716 10.572 -16.866 1.00 41.34 C ATOM 312 CG2 VAL A 135 17.430 8.098 -16.603 1.00 25.33 C ATOM 0 H VAL A 135 15.982 7.445 -18.715 1.00 60.24 H new ATOM 0 HA VAL A 135 15.184 9.726 -17.153 1.00 74.11 H new ATOM 0 HB VAL A 135 17.885 9.122 -18.415 1.00 61.35 H new ATOM 0 HG11 VAL A 135 18.754 10.469 -16.549 1.00 41.34 H new ATOM 0 HG12 VAL A 135 17.633 11.399 -17.571 1.00 41.34 H new ATOM 0 HG13 VAL A 135 17.089 10.771 -15.997 1.00 41.34 H new ATOM 0 HG21 VAL A 135 18.471 8.029 -16.288 1.00 25.33 H new ATOM 0 HG22 VAL A 135 16.794 8.230 -15.727 1.00 25.33 H new ATOM 0 HG23 VAL A 135 17.146 7.183 -17.123 1.00 25.33 H new ATOM 322 N THR A 136 16.239 10.101 -20.276 1.00 73.41 N ATOM 323 CA THR A 136 16.220 11.003 -21.420 1.00 54.31 C ATOM 324 C THR A 136 14.796 11.431 -21.759 1.00 43.12 C ATOM 325 O THR A 136 14.613 12.484 -22.369 1.00 24.33 O ATOM 326 CB THR A 136 16.857 10.351 -22.661 1.00 71.24 C ATOM 327 OG1 THR A 136 18.222 10.013 -22.391 1.00 33.32 O ATOM 328 CG2 THR A 136 16.789 11.286 -23.859 1.00 74.35 C ATOM 0 H THR A 136 16.691 9.204 -20.454 1.00 73.41 H new ATOM 0 HA THR A 136 16.804 11.880 -21.140 1.00 54.31 H new ATOM 0 HB THR A 136 16.298 9.445 -22.895 1.00 71.24 H new ATOM 0 HG1 THR A 136 18.781 10.813 -22.479 1.00 33.32 H new ATOM 0 HG21 THR A 136 17.245 10.804 -24.723 1.00 74.35 H new ATOM 0 HG22 THR A 136 15.747 11.518 -24.081 1.00 74.35 H new ATOM 0 HG23 THR A 136 17.326 12.207 -23.632 1.00 74.35 H new ATOM 336 N CYS A 137 13.830 10.616 -21.362 1.00 11.42 N ATOM 337 CA CYS A 137 12.435 10.923 -21.629 1.00 41.25 C ATOM 338 C CYS A 137 11.861 11.650 -20.412 1.00 32.24 C ATOM 339 O CYS A 137 10.962 12.484 -20.515 1.00 22.04 O ATOM 340 CB CYS A 137 11.635 9.665 -21.973 1.00 40.23 C ATOM 341 SG CYS A 137 12.087 9.074 -23.645 1.00 74.31 S ATOM 0 H CYS A 137 13.986 9.743 -20.857 1.00 11.42 H new ATOM 0 HA CYS A 137 12.363 11.570 -22.503 1.00 41.25 H new ATOM 0 HB2 CYS A 137 11.833 8.886 -21.237 1.00 40.23 H new ATOM 0 HB3 CYS A 137 10.567 9.880 -21.931 1.00 40.23 H new ATOM 0 HG CYS A 137 13.037 8.191 -23.551 1.00 74.31 H new ATOM 346 N GLU A 138 12.405 11.311 -19.247 1.00 31.20 N ATOM 347 CA GLU A 138 11.965 11.914 -17.995 1.00 11.34 C ATOM 348 C GLU A 138 10.513 11.551 -17.696 1.00 41.32 C ATOM 349 O GLU A 138 9.728 12.393 -17.259 1.00 22.12 O ATOM 350 CB GLU A 138 12.120 13.435 -18.054 1.00 11.44 C ATOM 351 CG GLU A 138 12.475 14.063 -16.716 1.00 41.43 C ATOM 352 CD GLU A 138 12.138 15.541 -16.658 1.00 25.32 C ATOM 353 OE1 GLU A 138 12.873 16.342 -17.272 1.00 5.14 O ATOM 354 OE2 GLU A 138 11.139 15.895 -15.998 1.00 1.11 O ATOM 0 H GLU A 138 13.151 10.622 -19.145 1.00 31.20 H new ATOM 0 HA GLU A 138 12.591 11.523 -17.193 1.00 11.34 H new ATOM 0 HB2 GLU A 138 12.894 13.685 -18.780 1.00 11.44 H new ATOM 0 HB3 GLU A 138 11.190 13.873 -18.416 1.00 11.44 H new ATOM 0 HG2 GLU A 138 11.942 13.541 -15.921 1.00 41.43 H new ATOM 0 HG3 GLU A 138 13.540 13.929 -16.527 1.00 41.43 H new ATOM 361 N VAL A 139 10.163 10.292 -17.937 1.00 33.23 N ATOM 362 CA VAL A 139 8.806 9.816 -17.694 1.00 21.12 C ATOM 363 C VAL A 139 8.814 8.403 -17.122 1.00 34.31 C ATOM 364 O VAL A 139 9.734 7.625 -17.373 1.00 43.21 O ATOM 365 CB VAL A 139 7.966 9.831 -18.985 1.00 24.11 C ATOM 366 CG1 VAL A 139 6.499 9.580 -18.671 1.00 24.00 C ATOM 367 CG2 VAL A 139 8.145 11.150 -19.721 1.00 14.55 C ATOM 0 H VAL A 139 10.800 9.583 -18.300 1.00 33.23 H new ATOM 0 HA VAL A 139 8.357 10.496 -16.970 1.00 21.12 H new ATOM 0 HB VAL A 139 8.315 9.029 -19.635 1.00 24.11 H new ATOM 0 HG11 VAL A 139 5.921 9.594 -19.595 1.00 24.00 H new ATOM 0 HG12 VAL A 139 6.391 8.608 -18.191 1.00 24.00 H new ATOM 0 HG13 VAL A 139 6.132 10.358 -18.002 1.00 24.00 H new ATOM 0 HG21 VAL A 139 7.545 11.143 -20.631 1.00 14.55 H new ATOM 0 HG22 VAL A 139 7.824 11.971 -19.080 1.00 14.55 H new ATOM 0 HG23 VAL A 139 9.195 11.282 -19.981 1.00 14.55 H new ATOM 377 N SER A 140 7.781 8.076 -16.352 1.00 13.44 N ATOM 378 CA SER A 140 7.669 6.757 -15.741 1.00 4.14 C ATOM 379 C SER A 140 6.539 5.956 -16.379 1.00 53.31 C ATOM 380 O SER A 140 5.369 6.330 -16.287 1.00 42.32 O ATOM 381 CB SER A 140 7.430 6.888 -14.235 1.00 63.51 C ATOM 382 OG SER A 140 7.649 5.653 -13.575 1.00 62.21 O ATOM 0 H SER A 140 7.009 8.707 -16.136 1.00 13.44 H new ATOM 0 HA SER A 140 8.606 6.226 -15.908 1.00 4.14 H new ATOM 0 HB2 SER A 140 8.095 7.647 -13.823 1.00 63.51 H new ATOM 0 HB3 SER A 140 6.409 7.225 -14.053 1.00 63.51 H new ATOM 0 HG SER A 140 8.535 5.308 -13.813 1.00 62.21 H new ATOM 388 N TYR A 141 6.896 4.853 -17.026 1.00 63.23 N ATOM 389 CA TYR A 141 5.913 3.999 -17.683 1.00 2.31 C ATOM 390 C TYR A 141 6.135 2.534 -17.320 1.00 51.12 C ATOM 391 O TYR A 141 7.052 2.233 -16.558 1.00 1.43 O ATOM 392 CB TYR A 141 5.985 4.177 -19.200 1.00 50.14 C ATOM 393 CG TYR A 141 5.463 5.513 -19.679 1.00 2.10 C ATOM 394 CD1 TYR A 141 4.303 6.060 -19.144 1.00 71.42 C ATOM 395 CD2 TYR A 141 6.129 6.228 -20.666 1.00 44.42 C ATOM 396 CE1 TYR A 141 3.822 7.280 -19.579 1.00 32.43 C ATOM 397 CE2 TYR A 141 5.657 7.450 -21.106 1.00 35.33 C ATOM 398 CZ TYR A 141 4.502 7.971 -20.559 1.00 64.11 C ATOM 399 OH TYR A 141 4.027 9.187 -20.995 1.00 63.53 O ATOM 0 H TYR A 141 7.859 4.529 -17.110 1.00 63.23 H new ATOM 0 HA TYR A 141 4.923 4.294 -17.336 1.00 2.31 H new ATOM 0 HB2 TYR A 141 7.020 4.065 -19.522 1.00 50.14 H new ATOM 0 HB3 TYR A 141 5.414 3.381 -19.678 1.00 50.14 H new ATOM 0 HD1 TYR A 141 3.768 5.522 -18.375 1.00 71.42 H new ATOM 0 HD2 TYR A 141 7.032 5.822 -21.097 1.00 44.42 H new ATOM 0 HE1 TYR A 141 2.918 7.690 -19.153 1.00 32.43 H new ATOM 0 HE2 TYR A 141 6.189 7.994 -21.873 1.00 35.33 H new ATOM 0 HH TYR A 141 3.163 9.060 -21.439 1.00 63.53 H new ATOM 409 N CYS A 142 5.299 1.664 -17.869 1.00 5.40 N ATOM 410 CA CYS A 142 5.415 0.242 -17.597 1.00 33.23 C ATOM 411 C CYS A 142 6.218 -0.401 -18.730 1.00 14.44 C ATOM 412 O CYS A 142 6.414 0.177 -19.799 1.00 23.11 O ATOM 413 CB CYS A 142 4.043 -0.414 -17.426 1.00 22.42 C ATOM 414 SG CYS A 142 3.256 -0.654 -19.060 1.00 62.35 S ATOM 0 H CYS A 142 4.539 1.917 -18.501 1.00 5.40 H new ATOM 0 HA CYS A 142 5.938 0.091 -16.653 1.00 33.23 H new ATOM 0 HB2 CYS A 142 4.150 -1.374 -16.920 1.00 22.42 H new ATOM 0 HB3 CYS A 142 3.409 0.209 -16.796 1.00 22.42 H new ATOM 0 HG CYS A 142 2.008 -0.295 -18.998 1.00 62.35 H new ATOM 419 N ASP A 143 6.680 -1.618 -18.469 1.00 63.33 N ATOM 420 CA ASP A 143 7.463 -2.364 -19.448 1.00 20.20 C ATOM 421 C ASP A 143 6.692 -2.521 -20.755 1.00 0.20 C ATOM 422 O ASP A 143 7.267 -2.432 -21.839 1.00 54.24 O ATOM 423 CB ASP A 143 7.835 -3.740 -18.893 1.00 45.02 C ATOM 424 CG ASP A 143 8.821 -4.474 -19.780 1.00 63.53 C ATOM 425 OD1 ASP A 143 9.411 -3.830 -20.673 1.00 73.14 O ATOM 426 OD2 ASP A 143 9.004 -5.693 -19.581 1.00 62.40 O ATOM 0 H ASP A 143 6.526 -2.109 -17.588 1.00 63.33 H new ATOM 0 HA ASP A 143 8.375 -1.803 -19.650 1.00 20.20 H new ATOM 0 HB2 ASP A 143 8.263 -3.623 -17.897 1.00 45.02 H new ATOM 0 HB3 ASP A 143 6.932 -4.341 -18.783 1.00 45.02 H new ATOM 431 N GLU A 144 5.388 -2.755 -20.643 1.00 23.43 N ATOM 432 CA GLU A 144 4.540 -2.926 -21.816 1.00 72.33 C ATOM 433 C GLU A 144 4.728 -1.772 -22.796 1.00 54.32 C ATOM 434 O GLU A 144 5.227 -1.992 -23.899 1.00 1.24 O ATOM 435 CB GLU A 144 3.070 -3.023 -21.401 1.00 24.21 C ATOM 436 CG GLU A 144 2.331 -4.184 -22.045 1.00 22.23 C ATOM 437 CD GLU A 144 1.228 -3.727 -22.979 1.00 72.11 C ATOM 438 OE1 GLU A 144 0.527 -2.752 -22.638 1.00 50.40 O ATOM 439 OE2 GLU A 144 1.066 -4.346 -24.052 1.00 52.50 O ATOM 0 H GLU A 144 4.897 -2.830 -19.752 1.00 23.43 H new ATOM 0 HA GLU A 144 4.832 -3.852 -22.311 1.00 72.33 H new ATOM 0 HB2 GLU A 144 3.013 -3.124 -20.317 1.00 24.21 H new ATOM 0 HB3 GLU A 144 2.565 -2.093 -21.662 1.00 24.21 H new ATOM 0 HG2 GLU A 144 3.040 -4.798 -22.600 1.00 22.23 H new ATOM 0 HG3 GLU A 144 1.904 -4.815 -21.266 1.00 22.23 H new ATOM 446 N CYS A 145 4.327 -0.580 -22.378 1.00 42.12 N ATOM 447 CA CYS A 145 4.456 0.593 -23.226 1.00 61.24 C ATOM 448 C CYS A 145 5.938 0.790 -23.551 1.00 40.14 C ATOM 449 O CYS A 145 6.325 1.081 -24.684 1.00 5.21 O ATOM 450 CB CYS A 145 3.845 1.834 -22.572 1.00 61.25 C ATOM 451 SG CYS A 145 2.126 1.484 -22.051 1.00 40.31 S ATOM 0 H CYS A 145 3.913 -0.401 -21.463 1.00 42.12 H new ATOM 0 HA CYS A 145 3.900 0.439 -24.151 1.00 61.24 H new ATOM 0 HB2 CYS A 145 4.442 2.132 -21.710 1.00 61.25 H new ATOM 0 HB3 CYS A 145 3.859 2.669 -23.273 1.00 61.25 H new ATOM 0 HG CYS A 145 1.437 2.586 -22.059 1.00 40.31 H new ATOM 456 N LEU A 146 6.765 0.624 -22.525 1.00 51.11 N ATOM 457 CA LEU A 146 8.208 0.777 -22.673 1.00 1.53 C ATOM 458 C LEU A 146 8.725 -0.043 -23.850 1.00 24.44 C ATOM 459 O LEU A 146 9.750 0.286 -24.448 1.00 30.33 O ATOM 460 CB LEU A 146 8.920 0.352 -21.387 1.00 41.13 C ATOM 461 CG LEU A 146 10.421 0.636 -21.326 1.00 64.43 C ATOM 462 CD1 LEU A 146 11.199 -0.442 -22.066 1.00 54.02 C ATOM 463 CD2 LEU A 146 10.729 2.009 -21.904 1.00 54.44 C ATOM 0 H LEU A 146 6.461 0.383 -21.582 1.00 51.11 H new ATOM 0 HA LEU A 146 8.419 1.829 -22.867 1.00 1.53 H new ATOM 0 HB2 LEU A 146 8.441 0.855 -20.547 1.00 41.13 H new ATOM 0 HB3 LEU A 146 8.767 -0.718 -21.247 1.00 41.13 H new ATOM 0 HG LEU A 146 10.730 0.626 -20.281 1.00 64.43 H new ATOM 0 HD11 LEU A 146 12.265 -0.223 -22.012 1.00 54.02 H new ATOM 0 HD12 LEU A 146 11.004 -1.411 -21.607 1.00 54.02 H new ATOM 0 HD13 LEU A 146 10.886 -0.465 -23.110 1.00 54.02 H new ATOM 0 HD21 LEU A 146 11.802 2.193 -21.852 1.00 54.44 H new ATOM 0 HD22 LEU A 146 10.404 2.047 -22.944 1.00 54.44 H new ATOM 0 HD23 LEU A 146 10.202 2.772 -21.331 1.00 54.44 H new ATOM 475 N LYS A 147 8.009 -1.113 -24.179 1.00 11.23 N ATOM 476 CA LYS A 147 8.392 -1.980 -25.286 1.00 42.04 C ATOM 477 C LYS A 147 7.999 -1.360 -26.624 1.00 22.33 C ATOM 478 O LYS A 147 8.801 -1.312 -27.556 1.00 23.14 O ATOM 479 CB LYS A 147 7.735 -3.354 -25.136 1.00 64.13 C ATOM 480 CG LYS A 147 8.437 -4.452 -25.917 1.00 53.02 C ATOM 481 CD LYS A 147 7.536 -5.660 -26.113 1.00 12.14 C ATOM 482 CE LYS A 147 7.088 -5.793 -27.560 1.00 40.01 C ATOM 483 NZ LYS A 147 6.688 -7.189 -27.891 1.00 12.32 N ATOM 0 H LYS A 147 7.159 -1.400 -23.694 1.00 11.23 H new ATOM 0 HA LYS A 147 9.475 -2.098 -25.264 1.00 42.04 H new ATOM 0 HB2 LYS A 147 7.716 -3.625 -24.080 1.00 64.13 H new ATOM 0 HB3 LYS A 147 6.698 -3.290 -25.467 1.00 64.13 H new ATOM 0 HG2 LYS A 147 8.748 -4.067 -26.888 1.00 53.02 H new ATOM 0 HG3 LYS A 147 9.342 -4.754 -25.389 1.00 53.02 H new ATOM 0 HD2 LYS A 147 8.066 -6.563 -25.811 1.00 12.14 H new ATOM 0 HD3 LYS A 147 6.662 -5.572 -25.467 1.00 12.14 H new ATOM 0 HE2 LYS A 147 6.249 -5.122 -27.744 1.00 40.01 H new ATOM 0 HE3 LYS A 147 7.897 -5.481 -28.221 1.00 40.01 H new ATOM 0 HZ1 LYS A 147 6.389 -7.238 -28.886 1.00 12.32 H new ATOM 0 HZ2 LYS A 147 7.496 -7.827 -27.740 1.00 12.32 H new ATOM 0 HZ3 LYS A 147 5.899 -7.479 -27.278 1.00 12.32 H new ATOM 497 N ALA A 148 6.761 -0.886 -26.710 1.00 34.32 N ATOM 498 CA ALA A 148 6.263 -0.266 -27.932 1.00 21.53 C ATOM 499 C ALA A 148 7.013 1.026 -28.236 1.00 53.11 C ATOM 500 O ALA A 148 7.283 1.341 -29.395 1.00 44.45 O ATOM 501 CB ALA A 148 4.770 0.002 -27.817 1.00 72.43 C ATOM 0 H ALA A 148 6.084 -0.919 -25.948 1.00 34.32 H new ATOM 0 HA ALA A 148 6.434 -0.957 -28.757 1.00 21.53 H new ATOM 0 HB1 ALA A 148 4.412 0.465 -28.736 1.00 72.43 H new ATOM 0 HB2 ALA A 148 4.243 -0.938 -27.655 1.00 72.43 H new ATOM 0 HB3 ALA A 148 4.584 0.672 -26.977 1.00 72.43 H new ATOM 507 N THR A 149 7.346 1.773 -27.188 1.00 32.22 N ATOM 508 CA THR A 149 8.062 3.032 -27.343 1.00 45.22 C ATOM 509 C THR A 149 9.553 2.794 -27.555 1.00 2.12 C ATOM 510 O THR A 149 10.151 3.327 -28.491 1.00 34.23 O ATOM 511 CB THR A 149 7.869 3.944 -26.117 1.00 32.22 C ATOM 512 OG1 THR A 149 8.044 3.189 -24.913 1.00 34.13 O ATOM 513 CG2 THR A 149 6.486 4.579 -26.127 1.00 63.52 C ATOM 0 H THR A 149 7.131 1.527 -26.222 1.00 32.22 H new ATOM 0 HA THR A 149 7.646 3.525 -28.222 1.00 45.22 H new ATOM 0 HB THR A 149 8.616 4.737 -26.160 1.00 32.22 H new ATOM 0 HG1 THR A 149 7.312 2.544 -24.822 1.00 34.13 H new ATOM 0 HG21 THR A 149 6.373 5.219 -25.252 1.00 63.52 H new ATOM 0 HG22 THR A 149 6.366 5.176 -27.031 1.00 63.52 H new ATOM 0 HG23 THR A 149 5.727 3.797 -26.106 1.00 63.52 H new ATOM 521 N HIS A 150 10.149 1.990 -26.680 1.00 64.12 N ATOM 522 CA HIS A 150 11.572 1.680 -26.773 1.00 13.13 C ATOM 523 C HIS A 150 11.785 0.235 -27.213 1.00 24.15 C ATOM 524 O HIS A 150 11.910 -0.677 -26.394 1.00 54.33 O ATOM 525 CB HIS A 150 12.257 1.923 -25.427 1.00 75.43 C ATOM 526 CG HIS A 150 12.186 3.346 -24.967 1.00 40.13 C ATOM 527 ND1 HIS A 150 11.578 4.344 -25.699 1.00 12.21 N ATOM 528 CD2 HIS A 150 12.650 3.937 -23.841 1.00 65.34 C ATOM 529 CE1 HIS A 150 11.673 5.487 -25.044 1.00 14.52 C ATOM 530 NE2 HIS A 150 12.319 5.267 -23.913 1.00 51.41 N ATOM 0 H HIS A 150 9.670 1.542 -25.899 1.00 64.12 H new ATOM 0 HA HIS A 150 12.015 2.338 -27.521 1.00 13.13 H new ATOM 0 HB2 HIS A 150 11.797 1.283 -24.674 1.00 75.43 H new ATOM 0 HB3 HIS A 150 13.303 1.626 -25.502 1.00 75.43 H new ATOM 0 HD2 HIS A 150 13.182 3.452 -23.036 1.00 65.34 H new ATOM 0 HE1 HIS A 150 11.288 6.440 -25.377 1.00 14.52 H new ATOM 0 HE2 HIS A 150 12.536 5.971 -23.208 1.00 51.41 H new ATOM 664 N HIS A 159 18.400 3.724 -25.457 1.00 45.25 N ATOM 665 CA HIS A 159 17.855 4.855 -24.715 1.00 34.33 C ATOM 666 C HIS A 159 18.293 4.808 -23.254 1.00 64.12 C ATOM 667 O HIS A 159 18.368 3.736 -22.652 1.00 53.45 O ATOM 668 CB HIS A 159 16.328 4.859 -24.801 1.00 1.31 C ATOM 669 CG HIS A 159 15.772 6.053 -25.515 1.00 21.31 C ATOM 670 ND1 HIS A 159 14.544 6.604 -25.216 1.00 1.11 N ATOM 671 CD2 HIS A 159 16.285 6.802 -26.519 1.00 11.02 C ATOM 672 CE1 HIS A 159 14.325 7.640 -26.006 1.00 72.21 C ATOM 673 NE2 HIS A 159 15.366 7.782 -26.806 1.00 23.51 N ATOM 0 HA HIS A 159 18.240 5.771 -25.162 1.00 34.33 H new ATOM 0 HB2 HIS A 159 15.999 3.954 -25.312 1.00 1.31 H new ATOM 0 HB3 HIS A 159 15.915 4.824 -23.793 1.00 1.31 H new ATOM 0 HD1 HIS A 159 13.905 6.265 -24.497 1.00 1.11 H new ATOM 0 HD2 HIS A 159 17.239 6.656 -27.004 1.00 11.02 H new ATOM 0 HE1 HIS A 159 13.444 8.265 -25.999 1.00 72.21 H new ATOM 680 N ARG A 160 18.583 5.976 -22.691 1.00 4.12 N ATOM 681 CA ARG A 160 19.017 6.068 -21.302 1.00 33.22 C ATOM 682 C ARG A 160 18.007 5.400 -20.372 1.00 44.32 C ATOM 683 O ARG A 160 16.846 5.208 -20.735 1.00 12.45 O ATOM 684 CB ARG A 160 19.206 7.532 -20.900 1.00 31.31 C ATOM 685 CG ARG A 160 20.383 8.205 -21.587 1.00 74.23 C ATOM 686 CD ARG A 160 20.796 9.478 -20.865 1.00 72.22 C ATOM 687 NE ARG A 160 21.912 10.146 -21.529 1.00 23.43 N ATOM 688 CZ ARG A 160 22.352 11.353 -21.191 1.00 63.41 C ATOM 689 NH1 ARG A 160 21.773 12.020 -20.203 1.00 3.42 N ATOM 690 NH2 ARG A 160 23.374 11.894 -21.842 1.00 71.13 N ATOM 0 H ARG A 160 18.525 6.872 -23.175 1.00 4.12 H new ATOM 0 HA ARG A 160 19.970 5.547 -21.210 1.00 33.22 H new ATOM 0 HB2 ARG A 160 18.296 8.084 -21.133 1.00 31.31 H new ATOM 0 HB3 ARG A 160 19.345 7.588 -19.820 1.00 31.31 H new ATOM 0 HG2 ARG A 160 21.227 7.516 -21.624 1.00 74.23 H new ATOM 0 HG3 ARG A 160 20.118 8.440 -22.618 1.00 74.23 H new ATOM 0 HD2 ARG A 160 19.945 10.158 -20.813 1.00 72.22 H new ATOM 0 HD3 ARG A 160 21.075 9.239 -19.839 1.00 72.22 H new ATOM 0 HE ARG A 160 22.379 9.659 -22.294 1.00 23.43 H new ATOM 0 HH11 ARG A 160 20.988 11.607 -19.700 1.00 3.42 H new ATOM 0 HH12 ARG A 160 22.113 12.947 -19.945 1.00 3.42 H new ATOM 0 HH21 ARG A 160 23.822 11.383 -22.603 1.00 71.13 H new ATOM 0 HH22 ARG A 160 23.711 12.821 -21.582 1.00 71.13 H new ATOM 704 N LEU A 161 18.458 5.048 -19.173 1.00 41.23 N ATOM 705 CA LEU A 161 17.595 4.401 -18.191 1.00 51.50 C ATOM 706 C LEU A 161 18.358 4.112 -16.902 1.00 71.14 C ATOM 707 O LEU A 161 19.539 4.439 -16.782 1.00 51.20 O ATOM 708 CB LEU A 161 17.024 3.102 -18.762 1.00 13.31 C ATOM 709 CG LEU A 161 15.502 2.958 -18.709 1.00 64.15 C ATOM 710 CD1 LEU A 161 14.966 2.469 -20.046 1.00 42.31 C ATOM 711 CD2 LEU A 161 15.095 2.010 -17.591 1.00 12.33 C ATOM 0 H LEU A 161 19.416 5.200 -18.858 1.00 41.23 H new ATOM 0 HA LEU A 161 16.775 5.081 -17.961 1.00 51.50 H new ATOM 0 HB2 LEU A 161 17.341 3.015 -19.801 1.00 13.31 H new ATOM 0 HB3 LEU A 161 17.467 2.265 -18.222 1.00 13.31 H new ATOM 0 HG LEU A 161 15.070 3.937 -18.503 1.00 64.15 H new ATOM 0 HD11 LEU A 161 13.882 2.372 -19.990 1.00 42.31 H new ATOM 0 HD12 LEU A 161 15.227 3.184 -20.826 1.00 42.31 H new ATOM 0 HD13 LEU A 161 15.405 1.499 -20.281 1.00 42.31 H new ATOM 0 HD21 LEU A 161 14.009 1.919 -17.568 1.00 12.33 H new ATOM 0 HD22 LEU A 161 15.537 1.029 -17.766 1.00 12.33 H new ATOM 0 HD23 LEU A 161 15.447 2.401 -16.636 1.00 12.33 H new ATOM 723 N ILE A 162 17.676 3.495 -15.943 1.00 62.02 N ATOM 724 CA ILE A 162 18.291 3.158 -14.665 1.00 40.42 C ATOM 725 C ILE A 162 18.448 1.649 -14.511 1.00 51.41 C ATOM 726 O ILE A 162 17.712 0.874 -15.121 1.00 3.11 O ATOM 727 CB ILE A 162 17.466 3.701 -13.483 1.00 71.23 C ATOM 728 CG1 ILE A 162 17.037 5.145 -13.752 1.00 63.33 C ATOM 729 CG2 ILE A 162 18.267 3.612 -12.193 1.00 61.00 C ATOM 730 CD1 ILE A 162 15.583 5.280 -14.144 1.00 54.24 C ATOM 0 H ILE A 162 16.698 3.218 -16.027 1.00 62.02 H new ATOM 0 HA ILE A 162 19.276 3.626 -14.655 1.00 40.42 H new ATOM 0 HB ILE A 162 16.570 3.090 -13.374 1.00 71.23 H new ATOM 0 HG12 ILE A 162 17.221 5.743 -12.859 1.00 63.33 H new ATOM 0 HG13 ILE A 162 17.659 5.558 -14.546 1.00 63.33 H new ATOM 0 HG21 ILE A 162 17.671 3.999 -11.367 1.00 61.00 H new ATOM 0 HG22 ILE A 162 18.526 2.572 -11.997 1.00 61.00 H new ATOM 0 HG23 ILE A 162 19.179 4.201 -12.290 1.00 61.00 H new ATOM 0 HD11 ILE A 162 15.349 6.330 -14.319 1.00 54.24 H new ATOM 0 HD12 ILE A 162 15.397 4.710 -15.054 1.00 54.24 H new ATOM 0 HD13 ILE A 162 14.953 4.897 -13.341 1.00 54.24 H new ATOM 894 N LEU A 173 24.113 -4.629 -9.042 1.00 4.14 N ATOM 895 CA LEU A 173 24.617 -3.771 -10.109 1.00 73.41 C ATOM 896 C LEU A 173 24.924 -2.373 -9.585 1.00 2.55 C ATOM 897 O LEU A 173 24.522 -2.011 -8.479 1.00 72.31 O ATOM 898 CB LEU A 173 23.598 -3.689 -11.247 1.00 72.11 C ATOM 899 CG LEU A 173 23.950 -4.460 -12.520 1.00 54.41 C ATOM 900 CD1 LEU A 173 22.781 -4.445 -13.493 1.00 70.01 C ATOM 901 CD2 LEU A 173 25.195 -3.875 -13.171 1.00 11.25 C ATOM 0 HA LEU A 173 25.541 -4.208 -10.487 1.00 73.41 H new ATOM 0 HB2 LEU A 173 22.640 -4.055 -10.877 1.00 72.11 H new ATOM 0 HB3 LEU A 173 23.459 -2.640 -11.508 1.00 72.11 H new ATOM 0 HG LEU A 173 24.158 -5.495 -12.249 1.00 54.41 H new ATOM 0 HD11 LEU A 173 23.050 -4.998 -14.393 1.00 70.01 H new ATOM 0 HD12 LEU A 173 21.913 -4.911 -13.026 1.00 70.01 H new ATOM 0 HD13 LEU A 173 22.542 -3.415 -13.758 1.00 70.01 H new ATOM 0 HD21 LEU A 173 25.431 -4.436 -14.075 1.00 11.25 H new ATOM 0 HD22 LEU A 173 25.015 -2.831 -13.428 1.00 11.25 H new ATOM 0 HD23 LEU A 173 26.033 -3.938 -12.476 1.00 11.25 H new ATOM 913 N MET A 174 25.638 -1.589 -10.386 1.00 62.23 N ATOM 914 CA MET A 174 25.997 -0.228 -10.004 1.00 35.32 C ATOM 915 C MET A 174 25.243 0.791 -10.852 1.00 14.11 C ATOM 916 O MET A 174 24.618 0.407 -11.840 1.00 11.44 O ATOM 917 CB MET A 174 27.504 -0.015 -10.150 1.00 4.03 C ATOM 918 CG MET A 174 28.250 -0.021 -8.825 1.00 60.30 C ATOM 919 SD MET A 174 30.036 -0.151 -9.034 1.00 22.40 S ATOM 920 CE MET A 174 30.294 -1.886 -8.671 1.00 60.44 C ATOM 0 H MET A 174 25.980 -1.873 -11.304 1.00 62.23 H new ATOM 0 HA MET A 174 25.717 -0.084 -8.960 1.00 35.32 H new ATOM 0 HB2 MET A 174 27.913 -0.796 -10.791 1.00 4.03 H new ATOM 0 HB3 MET A 174 27.681 0.936 -10.653 1.00 4.03 H new ATOM 0 HG2 MET A 174 28.018 0.893 -8.278 1.00 60.30 H new ATOM 0 HG3 MET A 174 27.898 -0.855 -8.218 1.00 60.30 H new ATOM 0 HE1 MET A 174 31.354 -2.122 -8.759 1.00 60.44 H new ATOM 0 HE2 MET A 174 29.957 -2.099 -7.657 1.00 60.44 H new ATOM 0 HE3 MET A 174 29.727 -2.494 -9.377 1.00 60.44 H new ATOM 930 N CYS A 175 25.316 2.053 -10.453 1.00 74.45 N ATOM 931 CA CYS A 175 24.636 3.109 -11.185 1.00 25.24 C ATOM 932 C CYS A 175 25.264 3.210 -12.576 1.00 72.44 C ATOM 933 O CYS A 175 26.189 2.478 -12.931 1.00 23.15 O ATOM 934 CB CYS A 175 24.693 4.442 -10.435 1.00 75.34 C ATOM 935 SG CYS A 175 23.039 5.227 -10.430 1.00 64.41 S ATOM 0 H CYS A 175 25.835 2.368 -9.633 1.00 74.45 H new ATOM 0 HA CYS A 175 23.578 2.866 -11.282 1.00 25.24 H new ATOM 0 HB2 CYS A 175 25.031 4.279 -9.412 1.00 75.34 H new ATOM 0 HB3 CYS A 175 25.418 5.104 -10.908 1.00 75.34 H new ATOM 0 HG CYS A 175 22.888 5.913 -9.336 1.00 64.41 H new ATOM 940 N LEU A 176 24.736 4.140 -13.364 1.00 72.22 N ATOM 941 CA LEU A 176 25.224 4.360 -14.721 1.00 50.31 C ATOM 942 C LEU A 176 26.701 4.740 -14.713 1.00 64.34 C ATOM 943 O LEU A 176 27.536 4.031 -15.274 1.00 64.02 O ATOM 944 CB LEU A 176 24.408 5.458 -15.406 1.00 35.22 C ATOM 945 CG LEU A 176 23.088 5.016 -16.040 1.00 63.03 C ATOM 946 CD1 LEU A 176 21.950 5.127 -15.038 1.00 2.13 C ATOM 947 CD2 LEU A 176 22.790 5.843 -17.282 1.00 42.41 C ATOM 0 H LEU A 176 23.970 4.754 -13.087 1.00 72.22 H new ATOM 0 HA LEU A 176 25.109 3.430 -15.277 1.00 50.31 H new ATOM 0 HB2 LEU A 176 24.193 6.235 -14.672 1.00 35.22 H new ATOM 0 HB3 LEU A 176 25.026 5.913 -16.180 1.00 35.22 H new ATOM 0 HG LEU A 176 23.182 3.971 -16.337 1.00 63.03 H new ATOM 0 HD11 LEU A 176 21.019 4.808 -15.508 1.00 2.13 H new ATOM 0 HD12 LEU A 176 22.159 4.491 -14.178 1.00 2.13 H new ATOM 0 HD13 LEU A 176 21.855 6.162 -14.709 1.00 2.13 H new ATOM 0 HD21 LEU A 176 21.847 5.515 -17.720 1.00 42.41 H new ATOM 0 HD22 LEU A 176 22.716 6.896 -17.009 1.00 42.41 H new ATOM 0 HD23 LEU A 176 23.593 5.712 -18.008 1.00 42.41 H new ATOM 959 N GLU A 177 27.016 5.861 -14.072 1.00 71.11 N ATOM 960 CA GLU A 177 28.393 6.333 -13.991 1.00 22.24 C ATOM 961 C GLU A 177 28.749 6.728 -12.560 1.00 41.13 C ATOM 962 O GLU A 177 29.275 7.815 -12.317 1.00 70.22 O ATOM 963 CB GLU A 177 28.604 7.524 -14.928 1.00 21.30 C ATOM 964 CG GLU A 177 30.042 7.686 -15.392 1.00 32.11 C ATOM 965 CD GLU A 177 30.316 9.060 -15.972 1.00 22.13 C ATOM 966 OE1 GLU A 177 29.351 9.829 -16.159 1.00 13.22 O ATOM 967 OE2 GLU A 177 31.498 9.366 -16.238 1.00 75.41 O ATOM 0 H GLU A 177 26.337 6.459 -13.602 1.00 71.11 H new ATOM 0 HA GLU A 177 29.048 5.518 -14.299 1.00 22.24 H new ATOM 0 HB2 GLU A 177 27.961 7.408 -15.800 1.00 21.30 H new ATOM 0 HB3 GLU A 177 28.290 8.436 -14.420 1.00 21.30 H new ATOM 0 HG2 GLU A 177 30.713 7.510 -14.551 1.00 32.11 H new ATOM 0 HG3 GLU A 177 30.265 6.928 -16.142 1.00 32.11 H new ATOM 974 N HIS A 178 28.458 5.838 -11.617 1.00 11.23 N ATOM 975 CA HIS A 178 28.747 6.093 -10.210 1.00 12.30 C ATOM 976 C HIS A 178 29.307 4.845 -9.535 1.00 73.33 C ATOM 977 O HIS A 178 28.585 4.125 -8.846 1.00 25.14 O ATOM 978 CB HIS A 178 27.483 6.556 -9.484 1.00 5.51 C ATOM 979 CG HIS A 178 26.932 7.848 -10.005 1.00 65.01 C ATOM 980 ND1 HIS A 178 25.590 8.052 -10.243 1.00 73.33 N ATOM 981 CD2 HIS A 178 27.551 9.006 -10.333 1.00 2.55 C ATOM 982 CE1 HIS A 178 25.406 9.279 -10.696 1.00 45.14 C ATOM 983 NE2 HIS A 178 26.581 9.880 -10.759 1.00 61.34 N ATOM 0 H HIS A 178 28.023 4.934 -11.801 1.00 11.23 H new ATOM 0 HA HIS A 178 29.498 6.881 -10.156 1.00 12.30 H new ATOM 0 HB2 HIS A 178 26.720 5.783 -9.572 1.00 5.51 H new ATOM 0 HB3 HIS A 178 27.704 6.666 -8.422 1.00 5.51 H new ATOM 0 HD2 HIS A 178 28.611 9.206 -10.271 1.00 2.55 H new ATOM 0 HE1 HIS A 178 24.457 9.716 -10.968 1.00 45.14 H new ATOM 0 HE2 HIS A 178 26.742 10.837 -11.073 1.00 61.34 H new ATOM 990 N GLU A 179 30.596 4.595 -9.740 1.00 62.23 N ATOM 991 CA GLU A 179 31.251 3.432 -9.153 1.00 2.04 C ATOM 992 C GLU A 179 31.585 3.680 -7.684 1.00 64.05 C ATOM 993 O GLU A 179 31.605 2.752 -6.876 1.00 21.20 O ATOM 994 CB GLU A 179 32.526 3.092 -9.927 1.00 23.41 C ATOM 995 CG GLU A 179 33.622 4.134 -9.783 1.00 25.24 C ATOM 996 CD GLU A 179 34.722 3.696 -8.835 1.00 2.54 C ATOM 997 OE1 GLU A 179 35.432 2.722 -9.160 1.00 22.21 O ATOM 998 OE2 GLU A 179 34.873 4.328 -7.768 1.00 33.00 O ATOM 0 H GLU A 179 31.207 5.182 -10.308 1.00 62.23 H new ATOM 0 HA GLU A 179 30.562 2.589 -9.214 1.00 2.04 H new ATOM 0 HB2 GLU A 179 32.904 2.129 -9.583 1.00 23.41 H new ATOM 0 HB3 GLU A 179 32.281 2.979 -10.983 1.00 23.41 H new ATOM 0 HG2 GLU A 179 34.053 4.341 -10.763 1.00 25.24 H new ATOM 0 HG3 GLU A 179 33.187 5.066 -9.423 1.00 25.24 H new ATOM 1005 N ASP A 180 31.848 4.938 -7.348 1.00 60.01 N ATOM 1006 CA ASP A 180 32.181 5.309 -5.978 1.00 2.51 C ATOM 1007 C ASP A 180 30.961 5.189 -5.070 1.00 51.33 C ATOM 1008 O ASP A 180 31.091 5.084 -3.851 1.00 52.52 O ATOM 1009 CB ASP A 180 32.727 6.737 -5.932 1.00 45.34 C ATOM 1010 CG ASP A 180 33.352 7.076 -4.593 1.00 64.32 C ATOM 1011 OD1 ASP A 180 33.967 6.177 -3.982 1.00 12.03 O ATOM 1012 OD2 ASP A 180 33.226 8.239 -4.156 1.00 64.02 O ATOM 0 H ASP A 180 31.837 5.718 -8.005 1.00 60.01 H new ATOM 0 HA ASP A 180 32.948 4.623 -5.619 1.00 2.51 H new ATOM 0 HB2 ASP A 180 33.470 6.864 -6.719 1.00 45.34 H new ATOM 0 HB3 ASP A 180 31.919 7.438 -6.140 1.00 45.34 H new ATOM 1017 N GLU A 181 29.777 5.207 -5.674 1.00 74.40 N ATOM 1018 CA GLU A 181 28.533 5.102 -4.919 1.00 65.41 C ATOM 1019 C GLU A 181 27.567 4.132 -5.594 1.00 4.01 C ATOM 1020 O GLU A 181 27.113 4.368 -6.714 1.00 1.45 O ATOM 1021 CB GLU A 181 27.878 6.477 -4.779 1.00 41.11 C ATOM 1022 CG GLU A 181 27.527 6.841 -3.346 1.00 75.23 C ATOM 1023 CD GLU A 181 26.667 5.789 -2.672 1.00 1.34 C ATOM 1024 OE1 GLU A 181 25.459 5.722 -2.980 1.00 41.30 O ATOM 1025 OE2 GLU A 181 27.204 5.033 -1.835 1.00 13.22 O ATOM 0 H GLU A 181 29.653 5.293 -6.683 1.00 74.40 H new ATOM 0 HA GLU A 181 28.771 4.719 -3.927 1.00 65.41 H new ATOM 0 HB2 GLU A 181 28.551 7.233 -5.183 1.00 41.11 H new ATOM 0 HB3 GLU A 181 26.971 6.502 -5.384 1.00 41.11 H new ATOM 0 HG2 GLU A 181 28.445 6.976 -2.774 1.00 75.23 H new ATOM 0 HG3 GLU A 181 27.002 7.796 -3.336 1.00 75.23 H new ATOM 1032 N LYS A 182 27.258 3.039 -4.905 1.00 31.03 N ATOM 1033 CA LYS A 182 26.346 2.032 -5.435 1.00 12.53 C ATOM 1034 C LYS A 182 24.894 2.429 -5.187 1.00 10.50 C ATOM 1035 O LYS A 182 24.618 3.432 -4.527 1.00 72.35 O ATOM 1036 CB LYS A 182 26.629 0.671 -4.796 1.00 63.23 C ATOM 1037 CG LYS A 182 27.153 -0.364 -5.777 1.00 54.24 C ATOM 1038 CD LYS A 182 27.363 -1.711 -5.108 1.00 31.45 C ATOM 1039 CE LYS A 182 26.733 -2.838 -5.912 1.00 65.23 C ATOM 1040 NZ LYS A 182 27.216 -4.175 -5.467 1.00 10.43 N ATOM 0 H LYS A 182 27.626 2.828 -3.977 1.00 31.03 H new ATOM 0 HA LYS A 182 26.507 1.962 -6.511 1.00 12.53 H new ATOM 0 HB2 LYS A 182 27.356 0.800 -3.994 1.00 63.23 H new ATOM 0 HB3 LYS A 182 25.713 0.296 -4.339 1.00 63.23 H new ATOM 0 HG2 LYS A 182 26.450 -0.473 -6.603 1.00 54.24 H new ATOM 0 HG3 LYS A 182 28.094 -0.018 -6.204 1.00 54.24 H new ATOM 0 HD2 LYS A 182 28.431 -1.898 -4.992 1.00 31.45 H new ATOM 0 HD3 LYS A 182 26.932 -1.692 -4.107 1.00 31.45 H new ATOM 0 HE2 LYS A 182 25.648 -2.792 -5.813 1.00 65.23 H new ATOM 0 HE3 LYS A 182 26.963 -2.702 -6.969 1.00 65.23 H new ATOM 0 HZ1 LYS A 182 26.763 -4.916 -6.039 1.00 10.43 H new ATOM 0 HZ2 LYS A 182 28.248 -4.228 -5.585 1.00 10.43 H new ATOM 0 HZ3 LYS A 182 26.975 -4.316 -4.465 1.00 10.43 H new ATOM 1054 N VAL A 183 23.969 1.636 -5.719 1.00 2.32 N ATOM 1055 CA VAL A 183 22.546 1.904 -5.553 1.00 34.30 C ATOM 1056 C VAL A 183 22.054 1.437 -4.188 1.00 20.54 C ATOM 1057 O VAL A 183 22.125 0.252 -3.863 1.00 75.14 O ATOM 1058 CB VAL A 183 21.713 1.213 -6.650 1.00 4.32 C ATOM 1059 CG1 VAL A 183 21.965 1.865 -8.001 1.00 13.31 C ATOM 1060 CG2 VAL A 183 22.028 -0.274 -6.700 1.00 32.23 C ATOM 0 H VAL A 183 24.180 0.803 -6.268 1.00 2.32 H new ATOM 0 HA VAL A 183 22.416 2.983 -5.633 1.00 34.30 H new ATOM 0 HB VAL A 183 20.657 1.330 -6.408 1.00 4.32 H new ATOM 0 HG11 VAL A 183 21.369 1.364 -8.764 1.00 13.31 H new ATOM 0 HG12 VAL A 183 21.685 2.918 -7.955 1.00 13.31 H new ATOM 0 HG13 VAL A 183 23.022 1.781 -8.254 1.00 13.31 H new ATOM 0 HG21 VAL A 183 21.431 -0.746 -7.480 1.00 32.23 H new ATOM 0 HG22 VAL A 183 23.087 -0.415 -6.918 1.00 32.23 H new ATOM 0 HG23 VAL A 183 21.792 -0.728 -5.738 1.00 32.23 H new ATOM 1070 N ASN A 184 21.555 2.376 -3.391 1.00 3.30 N ATOM 1071 CA ASN A 184 21.051 2.061 -2.059 1.00 63.12 C ATOM 1072 C ASN A 184 19.767 2.830 -1.767 1.00 54.34 C ATOM 1073 O ASN A 184 19.402 3.033 -0.610 1.00 1.13 O ATOM 1074 CB ASN A 184 22.107 2.388 -1.001 1.00 52.41 C ATOM 1075 CG ASN A 184 22.380 1.219 -0.075 1.00 72.33 C ATOM 1076 OD1 ASN A 184 23.234 0.378 -0.355 1.00 23.20 O ATOM 1077 ND2 ASN A 184 21.653 1.160 1.034 1.00 15.22 N ATOM 0 H ASN A 184 21.489 3.362 -3.644 1.00 3.30 H new ATOM 0 HA ASN A 184 20.830 0.994 -2.024 1.00 63.12 H new ATOM 0 HB2 ASN A 184 23.034 2.681 -1.495 1.00 52.41 H new ATOM 0 HB3 ASN A 184 21.775 3.244 -0.413 1.00 52.41 H new ATOM 0 HD21 ASN A 184 21.792 0.395 1.695 1.00 15.22 H new ATOM 0 HD22 ASN A 184 20.956 1.879 1.226 1.00 15.22 H new ATOM 1084 N MET A 185 19.085 3.256 -2.826 1.00 33.51 N ATOM 1085 CA MET A 185 17.839 4.001 -2.683 1.00 45.02 C ATOM 1086 C MET A 185 16.808 3.538 -3.708 1.00 3.25 C ATOM 1087 O MET A 185 17.136 2.817 -4.650 1.00 40.12 O ATOM 1088 CB MET A 185 18.097 5.501 -2.843 1.00 73.40 C ATOM 1089 CG MET A 185 18.550 6.180 -1.561 1.00 31.53 C ATOM 1090 SD MET A 185 18.272 7.961 -1.582 1.00 61.03 S ATOM 1091 CE MET A 185 18.283 8.327 0.171 1.00 34.51 C ATOM 0 H MET A 185 19.374 3.098 -3.791 1.00 33.51 H new ATOM 0 HA MET A 185 17.443 3.812 -1.685 1.00 45.02 H new ATOM 0 HB2 MET A 185 18.855 5.651 -3.611 1.00 73.40 H new ATOM 0 HB3 MET A 185 17.185 5.982 -3.197 1.00 73.40 H new ATOM 0 HG2 MET A 185 18.018 5.743 -0.716 1.00 31.53 H new ATOM 0 HG3 MET A 185 19.611 5.984 -1.406 1.00 31.53 H new ATOM 0 HE1 MET A 185 18.123 9.395 0.321 1.00 34.51 H new ATOM 0 HE2 MET A 185 17.488 7.768 0.664 1.00 34.51 H new ATOM 0 HE3 MET A 185 19.245 8.041 0.596 1.00 34.51 H new ATOM 1101 N TYR A 186 15.562 3.957 -3.516 1.00 62.34 N ATOM 1102 CA TYR A 186 14.483 3.582 -4.422 1.00 52.54 C ATOM 1103 C TYR A 186 13.581 4.777 -4.718 1.00 71.00 C ATOM 1104 O TYR A 186 13.222 5.506 -3.794 1.00 63.42 O ATOM 1105 CB TYR A 186 13.658 2.442 -3.823 1.00 12.40 C ATOM 1106 CG TYR A 186 12.536 1.970 -4.720 1.00 11.31 C ATOM 1107 CD1 TYR A 186 12.758 1.005 -5.695 1.00 1.45 C ATOM 1108 CD2 TYR A 186 11.253 2.489 -4.592 1.00 20.42 C ATOM 1109 CE1 TYR A 186 11.736 0.572 -6.517 1.00 21.14 C ATOM 1110 CE2 TYR A 186 10.225 2.060 -5.409 1.00 35.14 C ATOM 1111 CZ TYR A 186 10.471 1.102 -6.370 1.00 22.13 C ATOM 1112 OH TYR A 186 9.450 0.672 -7.186 1.00 21.43 O ATOM 0 H TYR A 186 15.275 4.556 -2.742 1.00 62.34 H new ATOM 0 HA TYR A 186 14.929 3.245 -5.358 1.00 52.54 H new ATOM 0 HB2 TYR A 186 14.318 1.601 -3.608 1.00 12.40 H new ATOM 0 HB3 TYR A 186 13.238 2.769 -2.872 1.00 12.40 H new ATOM 0 HD1 TYR A 186 13.747 0.586 -5.812 1.00 1.45 H new ATOM 0 HD2 TYR A 186 11.056 3.240 -3.841 1.00 20.42 H new ATOM 0 HE1 TYR A 186 11.926 -0.178 -7.271 1.00 21.14 H new ATOM 0 HE2 TYR A 186 9.233 2.473 -5.296 1.00 35.14 H new ATOM 0 HH TYR A 186 9.820 0.133 -7.916 1.00 21.43 H new ATOM 1122 N CYS A 187 13.238 4.949 -5.986 1.00 52.11 N ATOM 1123 CA CYS A 187 12.382 6.053 -6.387 1.00 34.44 C ATOM 1124 C CYS A 187 10.986 5.497 -6.675 1.00 54.25 C ATOM 1125 O CYS A 187 10.812 4.492 -7.365 1.00 3.02 O ATOM 1126 CB CYS A 187 12.956 6.807 -7.588 1.00 34.23 C ATOM 1127 SG CYS A 187 11.808 8.138 -8.097 1.00 50.14 S ATOM 0 H CYS A 187 13.537 4.342 -6.749 1.00 52.11 H new ATOM 0 HA CYS A 187 12.322 6.783 -5.579 1.00 34.44 H new ATOM 0 HB2 CYS A 187 13.927 7.231 -7.332 1.00 34.23 H new ATOM 0 HB3 CYS A 187 13.118 6.118 -8.417 1.00 34.23 H new ATOM 0 HG CYS A 187 12.414 8.943 -8.918 1.00 50.14 H new ATOM 1132 N VAL A 188 9.985 6.180 -6.128 1.00 40.11 N ATOM 1133 CA VAL A 188 8.595 5.779 -6.311 1.00 63.23 C ATOM 1134 C VAL A 188 8.036 6.319 -7.622 1.00 74.04 C ATOM 1135 O VAL A 188 7.360 5.605 -8.364 1.00 32.52 O ATOM 1136 CB VAL A 188 7.712 6.268 -5.148 1.00 51.23 C ATOM 1137 CG1 VAL A 188 6.262 5.868 -5.374 1.00 31.42 C ATOM 1138 CG2 VAL A 188 8.225 5.722 -3.824 1.00 54.51 C ATOM 0 H VAL A 188 10.111 7.014 -5.554 1.00 40.11 H new ATOM 0 HA VAL A 188 8.580 4.689 -6.335 1.00 63.23 H new ATOM 0 HB VAL A 188 7.761 7.356 -5.109 1.00 51.23 H new ATOM 0 HG11 VAL A 188 5.653 6.222 -4.542 1.00 31.42 H new ATOM 0 HG12 VAL A 188 5.902 6.313 -6.302 1.00 31.42 H new ATOM 0 HG13 VAL A 188 6.190 4.782 -5.440 1.00 31.42 H new ATOM 0 HG21 VAL A 188 7.589 6.078 -3.013 1.00 54.51 H new ATOM 0 HG22 VAL A 188 8.207 4.632 -3.848 1.00 54.51 H new ATOM 0 HG23 VAL A 188 9.247 6.064 -3.661 1.00 54.51 H new ATOM 1148 N THR A 189 8.322 7.586 -7.904 1.00 55.42 N ATOM 1149 CA THR A 189 7.847 8.224 -9.126 1.00 34.32 C ATOM 1150 C THR A 189 8.322 7.468 -10.361 1.00 61.41 C ATOM 1151 O THR A 189 7.723 7.569 -11.432 1.00 11.43 O ATOM 1152 CB THR A 189 8.322 9.686 -9.218 1.00 61.11 C ATOM 1153 OG1 THR A 189 8.054 10.367 -7.987 1.00 62.22 O ATOM 1154 CG2 THR A 189 7.631 10.409 -10.364 1.00 74.52 C ATOM 0 H THR A 189 8.881 8.191 -7.302 1.00 55.42 H new ATOM 0 HA THR A 189 6.758 8.206 -9.089 1.00 34.32 H new ATOM 0 HB THR A 189 9.396 9.684 -9.406 1.00 61.11 H new ATOM 0 HG1 THR A 189 8.361 11.295 -8.053 1.00 62.22 H new ATOM 0 HG21 THR A 189 7.983 11.440 -10.409 1.00 74.52 H new ATOM 0 HG22 THR A 189 7.861 9.906 -11.303 1.00 74.52 H new ATOM 0 HG23 THR A 189 6.553 10.400 -10.202 1.00 74.52 H new ATOM 1162 N ASP A 190 9.402 6.709 -10.205 1.00 55.15 N ATOM 1163 CA ASP A 190 9.957 5.934 -11.309 1.00 34.33 C ATOM 1164 C ASP A 190 9.799 4.438 -11.055 1.00 71.20 C ATOM 1165 O ASP A 190 9.864 3.631 -11.982 1.00 63.52 O ATOM 1166 CB ASP A 190 11.434 6.277 -11.509 1.00 33.32 C ATOM 1167 CG ASP A 190 11.638 7.700 -11.990 1.00 35.04 C ATOM 1168 OD1 ASP A 190 10.680 8.283 -12.540 1.00 21.32 O ATOM 1169 OD2 ASP A 190 12.755 8.231 -11.817 1.00 32.25 O ATOM 0 H ASP A 190 9.910 6.614 -9.326 1.00 55.15 H new ATOM 0 HA ASP A 190 9.407 6.191 -12.214 1.00 34.33 H new ATOM 0 HB2 ASP A 190 11.968 6.134 -10.569 1.00 33.32 H new ATOM 0 HB3 ASP A 190 11.870 5.587 -12.231 1.00 33.32 H new ATOM 1174 N ASP A 191 9.592 4.076 -9.794 1.00 21.52 N ATOM 1175 CA ASP A 191 9.425 2.676 -9.418 1.00 0.53 C ATOM 1176 C ASP A 191 10.695 1.881 -9.705 1.00 53.22 C ATOM 1177 O ASP A 191 10.638 0.685 -9.988 1.00 75.05 O ATOM 1178 CB ASP A 191 8.243 2.062 -10.168 1.00 55.13 C ATOM 1179 CG ASP A 191 7.532 0.996 -9.357 1.00 4.40 C ATOM 1180 OD1 ASP A 191 8.047 -0.139 -9.289 1.00 25.44 O ATOM 1181 OD2 ASP A 191 6.462 1.298 -8.790 1.00 11.44 O ATOM 0 H ASP A 191 9.536 4.732 -9.015 1.00 21.52 H new ATOM 0 HA ASP A 191 9.226 2.634 -8.347 1.00 0.53 H new ATOM 0 HB2 ASP A 191 7.535 2.848 -10.429 1.00 55.13 H new ATOM 0 HB3 ASP A 191 8.596 1.627 -11.103 1.00 55.13 H new ATOM 1186 N GLN A 192 11.838 2.555 -9.631 1.00 62.41 N ATOM 1187 CA GLN A 192 13.121 1.910 -9.885 1.00 43.43 C ATOM 1188 C GLN A 192 14.091 2.155 -8.734 1.00 31.13 C ATOM 1189 O GLN A 192 13.773 2.868 -7.781 1.00 53.12 O ATOM 1190 CB GLN A 192 13.724 2.426 -11.193 1.00 62.44 C ATOM 1191 CG GLN A 192 13.579 1.455 -12.354 1.00 62.31 C ATOM 1192 CD GLN A 192 14.876 1.254 -13.113 1.00 4.04 C ATOM 1193 OE1 GLN A 192 15.929 1.026 -12.516 1.00 1.32 O ATOM 1194 NE2 GLN A 192 14.808 1.337 -14.436 1.00 55.41 N ATOM 0 H GLN A 192 11.902 3.546 -9.398 1.00 62.41 H new ATOM 0 HA GLN A 192 12.949 0.837 -9.969 1.00 43.43 H new ATOM 0 HB2 GLN A 192 13.246 3.369 -11.457 1.00 62.44 H new ATOM 0 HB3 GLN A 192 14.782 2.638 -11.037 1.00 62.44 H new ATOM 0 HG2 GLN A 192 13.230 0.493 -11.977 1.00 62.31 H new ATOM 0 HG3 GLN A 192 12.816 1.825 -13.039 1.00 62.31 H new ATOM 0 HE21 GLN A 192 13.915 1.528 -14.890 1.00 55.41 H new ATOM 0 HE22 GLN A 192 15.649 1.210 -14.999 1.00 55.41 H new ATOM 1203 N LEU A 193 15.274 1.559 -8.827 1.00 24.11 N ATOM 1204 CA LEU A 193 16.291 1.712 -7.792 1.00 64.52 C ATOM 1205 C LEU A 193 17.346 2.731 -8.211 1.00 61.45 C ATOM 1206 O LEU A 193 17.783 2.748 -9.363 1.00 10.34 O ATOM 1207 CB LEU A 193 16.955 0.365 -7.499 1.00 61.11 C ATOM 1208 CG LEU A 193 16.232 -0.536 -6.497 1.00 4.43 C ATOM 1209 CD1 LEU A 193 16.893 -1.904 -6.435 1.00 42.12 C ATOM 1210 CD2 LEU A 193 16.210 0.110 -5.119 1.00 50.41 C ATOM 0 H LEU A 193 15.553 0.965 -9.608 1.00 24.11 H new ATOM 0 HA LEU A 193 15.802 2.074 -6.888 1.00 64.52 H new ATOM 0 HB2 LEU A 193 17.057 -0.179 -8.438 1.00 61.11 H new ATOM 0 HB3 LEU A 193 17.963 0.552 -7.128 1.00 61.11 H new ATOM 0 HG LEU A 193 15.203 -0.667 -6.832 1.00 4.43 H new ATOM 0 HD11 LEU A 193 16.365 -2.531 -5.717 1.00 42.12 H new ATOM 0 HD12 LEU A 193 16.857 -2.370 -7.419 1.00 42.12 H new ATOM 0 HD13 LEU A 193 17.932 -1.792 -6.124 1.00 42.12 H new ATOM 0 HD21 LEU A 193 15.692 -0.545 -4.418 1.00 50.41 H new ATOM 0 HD22 LEU A 193 17.232 0.271 -4.776 1.00 50.41 H new ATOM 0 HD23 LEU A 193 15.690 1.067 -5.174 1.00 50.41 H new ATOM 1222 N ILE A 194 17.752 3.576 -7.270 1.00 31.20 N ATOM 1223 CA ILE A 194 18.758 4.595 -7.541 1.00 52.23 C ATOM 1224 C ILE A 194 19.776 4.678 -6.409 1.00 15.43 C ATOM 1225 O ILE A 194 19.642 3.953 -5.424 1.00 52.32 O ATOM 1226 CB ILE A 194 18.115 5.980 -7.742 1.00 45.51 C ATOM 1227 CG1 ILE A 194 17.518 6.485 -6.427 1.00 54.01 C ATOM 1228 CG2 ILE A 194 17.049 5.918 -8.825 1.00 62.15 C ATOM 1229 CD1 ILE A 194 16.866 7.845 -6.542 1.00 53.13 C ATOM 0 H ILE A 194 17.400 3.575 -6.313 1.00 31.20 H new ATOM 0 HA ILE A 194 19.265 4.302 -8.460 1.00 52.23 H new ATOM 0 HB ILE A 194 18.888 6.680 -8.061 1.00 45.51 H new ATOM 0 HG12 ILE A 194 16.779 5.766 -6.073 1.00 54.01 H new ATOM 0 HG13 ILE A 194 18.305 6.531 -5.674 1.00 54.01 H new ATOM 0 HG21 ILE A 194 16.604 6.905 -8.955 1.00 62.15 H new ATOM 0 HG22 ILE A 194 17.502 5.598 -9.763 1.00 62.15 H new ATOM 0 HG23 ILE A 194 16.276 5.207 -8.534 1.00 62.15 H new ATOM 0 HD11 ILE A 194 16.465 8.139 -5.572 1.00 53.13 H new ATOM 0 HD12 ILE A 194 17.606 8.577 -6.866 1.00 53.13 H new ATOM 0 HD13 ILE A 194 16.057 7.800 -7.271 1.00 53.13 H new ATOM 1241 N CYS A 195 20.759 5.552 -6.569 1.00 54.05 N ATOM 1242 CA CYS A 195 21.785 5.719 -5.554 1.00 72.14 C ATOM 1243 C CYS A 195 21.576 7.075 -4.878 1.00 54.32 C ATOM 1244 O CYS A 195 21.054 8.023 -5.465 1.00 3.22 O ATOM 1245 CB CYS A 195 23.190 5.586 -6.144 1.00 25.11 C ATOM 1246 SG CYS A 195 23.599 7.073 -7.129 1.00 5.13 S ATOM 0 H CYS A 195 20.867 6.152 -7.387 1.00 54.05 H new ATOM 0 HA CYS A 195 21.697 4.927 -4.811 1.00 72.14 H new ATOM 0 HB2 CYS A 195 23.919 5.458 -5.344 1.00 25.11 H new ATOM 0 HB3 CYS A 195 23.247 4.697 -6.772 1.00 25.11 H new ATOM 0 HG CYS A 195 22.613 7.348 -7.930 1.00 5.13 H new ATOM 1251 N ALA A 196 21.997 7.147 -3.620 1.00 24.41 N ATOM 1252 CA ALA A 196 21.871 8.371 -2.840 1.00 53.40 C ATOM 1253 C ALA A 196 22.543 9.544 -3.546 1.00 71.12 C ATOM 1254 O ALA A 196 22.140 10.696 -3.380 1.00 31.01 O ATOM 1255 CB ALA A 196 22.465 8.178 -1.453 1.00 34.53 C ATOM 0 H ALA A 196 22.429 6.371 -3.119 1.00 24.41 H new ATOM 0 HA ALA A 196 20.810 8.600 -2.740 1.00 53.40 H new ATOM 0 HB1 ALA A 196 22.363 9.101 -0.882 1.00 34.53 H new ATOM 0 HB2 ALA A 196 21.937 7.374 -0.940 1.00 34.53 H new ATOM 0 HB3 ALA A 196 23.520 7.921 -1.542 1.00 34.53 H new ATOM 1261 N LEU A 197 23.570 9.244 -4.334 1.00 14.00 N ATOM 1262 CA LEU A 197 24.299 10.274 -5.066 1.00 30.03 C ATOM 1263 C LEU A 197 23.434 10.874 -6.169 1.00 73.14 C ATOM 1264 O LEU A 197 23.713 11.985 -6.616 1.00 52.51 O ATOM 1265 CB LEU A 197 25.579 9.691 -5.666 1.00 25.01 C ATOM 1266 CG LEU A 197 26.703 10.689 -5.949 1.00 20.22 C ATOM 1267 CD1 LEU A 197 27.467 11.008 -4.673 1.00 63.13 C ATOM 1268 CD2 LEU A 197 27.644 10.145 -7.014 1.00 55.04 C ATOM 0 H LEU A 197 23.917 8.296 -4.482 1.00 14.00 H new ATOM 0 HA LEU A 197 24.562 11.066 -4.365 1.00 30.03 H new ATOM 0 HB2 LEU A 197 25.960 8.928 -4.987 1.00 25.01 H new ATOM 0 HB3 LEU A 197 25.323 9.188 -6.599 1.00 25.01 H new ATOM 0 HG LEU A 197 26.258 11.611 -6.323 1.00 20.22 H new ATOM 0 HD11 LEU A 197 28.263 11.719 -4.894 1.00 63.13 H new ATOM 0 HD12 LEU A 197 26.786 11.441 -3.940 1.00 63.13 H new ATOM 0 HD13 LEU A 197 27.900 10.093 -4.270 1.00 63.13 H new ATOM 0 HD21 LEU A 197 28.437 10.868 -7.202 1.00 55.04 H new ATOM 0 HD22 LEU A 197 28.082 9.208 -6.669 1.00 55.04 H new ATOM 0 HD23 LEU A 197 27.088 9.968 -7.935 1.00 55.04 H new ATOM 1280 N CYS A 198 22.413 10.135 -6.579 1.00 11.11 N ATOM 1281 CA CYS A 198 21.520 10.606 -7.624 1.00 13.34 C ATOM 1282 C CYS A 198 20.520 11.580 -6.997 1.00 52.45 C ATOM 1283 O CYS A 198 20.148 12.599 -7.580 1.00 12.53 O ATOM 1284 CB CYS A 198 20.819 9.447 -8.334 1.00 35.42 C ATOM 1285 SG CYS A 198 21.882 8.799 -9.674 1.00 64.35 S ATOM 0 H CYS A 198 22.185 9.213 -6.206 1.00 11.11 H new ATOM 0 HA CYS A 198 22.095 11.121 -8.393 1.00 13.34 H new ATOM 0 HB2 CYS A 198 20.596 8.654 -7.620 1.00 35.42 H new ATOM 0 HB3 CYS A 198 19.867 9.784 -8.744 1.00 35.42 H new ATOM 0 HG CYS A 198 23.075 8.571 -9.210 1.00 64.35 H new ATOM 1290 N LYS A 199 20.089 11.242 -5.787 1.00 0.11 N ATOM 1291 CA LYS A 199 19.135 12.067 -5.056 1.00 34.13 C ATOM 1292 C LYS A 199 19.803 13.331 -4.525 1.00 54.52 C ATOM 1293 O LYS A 199 19.143 14.348 -4.305 1.00 4.34 O ATOM 1294 CB LYS A 199 18.527 11.274 -3.897 1.00 33.24 C ATOM 1295 CG LYS A 199 17.154 11.768 -3.475 1.00 54.05 C ATOM 1296 CD LYS A 199 16.902 11.522 -1.997 1.00 53.33 C ATOM 1297 CE LYS A 199 17.168 12.771 -1.171 1.00 52.44 C ATOM 1298 NZ LYS A 199 15.963 13.642 -1.079 1.00 45.41 N ATOM 0 H LYS A 199 20.386 10.401 -5.291 1.00 0.11 H new ATOM 0 HA LYS A 199 18.342 12.358 -5.745 1.00 34.13 H new ATOM 0 HB2 LYS A 199 18.454 10.225 -4.185 1.00 33.24 H new ATOM 0 HB3 LYS A 199 19.200 11.324 -3.041 1.00 33.24 H new ATOM 0 HG2 LYS A 199 17.069 12.834 -3.687 1.00 54.05 H new ATOM 0 HG3 LYS A 199 16.388 11.264 -4.064 1.00 54.05 H new ATOM 0 HD2 LYS A 199 15.871 11.201 -1.851 1.00 53.33 H new ATOM 0 HD3 LYS A 199 17.541 10.711 -1.648 1.00 53.33 H new ATOM 0 HE2 LYS A 199 17.485 12.483 -0.169 1.00 52.44 H new ATOM 0 HE3 LYS A 199 17.989 13.333 -1.616 1.00 52.44 H new ATOM 0 HZ1 LYS A 199 16.185 14.483 -0.508 1.00 45.41 H new ATOM 0 HZ2 LYS A 199 15.675 13.938 -2.033 1.00 45.41 H new ATOM 0 HZ3 LYS A 199 15.187 13.114 -0.631 1.00 45.41 H new ATOM 1312 N LEU A 200 21.114 13.262 -4.324 1.00 12.33 N ATOM 1313 CA LEU A 200 21.872 14.403 -3.820 1.00 72.44 C ATOM 1314 C LEU A 200 22.096 15.436 -4.920 1.00 73.31 C ATOM 1315 O LEU A 200 21.803 16.619 -4.744 1.00 65.51 O ATOM 1316 CB LEU A 200 23.217 13.938 -3.259 1.00 40.45 C ATOM 1317 CG LEU A 200 23.899 14.890 -2.276 1.00 52.51 C ATOM 1318 CD1 LEU A 200 23.310 14.731 -0.883 1.00 70.41 C ATOM 1319 CD2 LEU A 200 25.401 14.648 -2.253 1.00 71.14 C ATOM 0 H LEU A 200 21.675 12.429 -4.502 1.00 12.33 H new ATOM 0 HA LEU A 200 21.294 14.869 -3.022 1.00 72.44 H new ATOM 0 HB2 LEU A 200 23.069 12.979 -2.762 1.00 40.45 H new ATOM 0 HB3 LEU A 200 23.895 13.763 -4.094 1.00 40.45 H new ATOM 0 HG LEU A 200 23.722 15.913 -2.609 1.00 52.51 H new ATOM 0 HD11 LEU A 200 23.808 15.416 -0.197 1.00 70.41 H new ATOM 0 HD12 LEU A 200 22.244 14.956 -0.911 1.00 70.41 H new ATOM 0 HD13 LEU A 200 23.456 13.706 -0.541 1.00 70.41 H new ATOM 0 HD21 LEU A 200 25.869 15.335 -1.548 1.00 71.14 H new ATOM 0 HD22 LEU A 200 25.599 13.621 -1.946 1.00 71.14 H new ATOM 0 HD23 LEU A 200 25.812 14.815 -3.249 1.00 71.14 H new ATOM 1331 N VAL A 201 22.614 14.980 -6.056 1.00 43.22 N ATOM 1332 CA VAL A 201 22.874 15.864 -7.186 1.00 63.03 C ATOM 1333 C VAL A 201 21.623 16.645 -7.572 1.00 4.40 C ATOM 1334 O VAL A 201 21.691 17.835 -7.877 1.00 44.30 O ATOM 1335 CB VAL A 201 23.372 15.076 -8.412 1.00 62.33 C ATOM 1336 CG1 VAL A 201 23.599 16.009 -9.591 1.00 41.35 C ATOM 1337 CG2 VAL A 201 24.644 14.312 -8.074 1.00 13.22 C ATOM 0 H VAL A 201 22.862 14.004 -6.218 1.00 43.22 H new ATOM 0 HA VAL A 201 23.651 16.560 -6.871 1.00 63.03 H new ATOM 0 HB VAL A 201 22.605 14.354 -8.693 1.00 62.33 H new ATOM 0 HG11 VAL A 201 23.951 15.434 -10.448 1.00 41.35 H new ATOM 0 HG12 VAL A 201 22.663 16.506 -9.847 1.00 41.35 H new ATOM 0 HG13 VAL A 201 24.346 16.757 -9.325 1.00 41.35 H new ATOM 0 HG21 VAL A 201 24.982 13.761 -8.952 1.00 13.22 H new ATOM 0 HG22 VAL A 201 25.419 15.014 -7.766 1.00 13.22 H new ATOM 0 HG23 VAL A 201 24.444 13.613 -7.262 1.00 13.22 H new ATOM 1347 N GLY A 202 20.480 15.967 -7.556 1.00 12.13 N ATOM 1348 CA GLY A 202 19.229 16.614 -7.905 1.00 73.13 C ATOM 1349 C GLY A 202 18.388 15.778 -8.850 1.00 1.10 C ATOM 1350 O GLY A 202 17.206 16.056 -9.050 1.00 74.12 O ATOM 0 H GLY A 202 20.398 14.981 -7.308 1.00 12.13 H new ATOM 0 HA2 GLY A 202 18.660 16.813 -6.997 1.00 73.13 H new ATOM 0 HA3 GLY A 202 19.439 17.579 -8.367 1.00 73.13 H new ATOM 1354 N ARG A 203 18.999 14.752 -9.433 1.00 45.45 N ATOM 1355 CA ARG A 203 18.300 13.875 -10.365 1.00 1.33 C ATOM 1356 C ARG A 203 17.003 13.355 -9.752 1.00 25.44 C ATOM 1357 O ARG A 203 16.022 13.118 -10.457 1.00 21.02 O ATOM 1358 CB ARG A 203 19.196 12.701 -10.763 1.00 50.01 C ATOM 1359 CG ARG A 203 20.380 13.104 -11.626 1.00 44.02 C ATOM 1360 CD ARG A 203 21.522 12.106 -11.507 1.00 54.02 C ATOM 1361 NE ARG A 203 22.669 12.486 -12.328 1.00 34.15 N ATOM 1362 CZ ARG A 203 22.706 12.347 -13.648 1.00 52.51 C ATOM 1363 NH1 ARG A 203 21.665 11.841 -14.294 1.00 54.35 N ATOM 1364 NH2 ARG A 203 23.786 12.716 -14.325 1.00 12.30 N ATOM 0 H ARG A 203 19.977 14.507 -9.276 1.00 45.45 H new ATOM 0 HA ARG A 203 18.055 14.453 -11.256 1.00 1.33 H new ATOM 0 HB2 ARG A 203 19.564 12.214 -9.860 1.00 50.01 H new ATOM 0 HB3 ARG A 203 18.599 11.965 -11.301 1.00 50.01 H new ATOM 0 HG2 ARG A 203 20.065 13.176 -12.667 1.00 44.02 H new ATOM 0 HG3 ARG A 203 20.728 14.094 -11.329 1.00 44.02 H new ATOM 0 HD2 ARG A 203 21.831 12.032 -10.464 1.00 54.02 H new ATOM 0 HD3 ARG A 203 21.173 11.118 -11.807 1.00 54.02 H new ATOM 0 HE ARG A 203 23.486 12.880 -11.862 1.00 34.15 H new ATOM 0 HH11 ARG A 203 20.833 11.557 -13.777 1.00 54.35 H new ATOM 0 HH12 ARG A 203 21.696 11.735 -15.308 1.00 54.35 H new ATOM 0 HH21 ARG A 203 24.589 13.107 -13.831 1.00 12.30 H new ATOM 0 HH22 ARG A 203 23.814 12.609 -15.339 1.00 12.30 H new ATOM 1378 N HIS A 204 17.007 13.178 -8.434 1.00 60.21 N ATOM 1379 CA HIS A 204 15.831 12.685 -7.726 1.00 1.03 C ATOM 1380 C HIS A 204 15.618 13.454 -6.426 1.00 0.45 C ATOM 1381 O HIS A 204 15.232 12.878 -5.408 1.00 51.33 O ATOM 1382 CB HIS A 204 15.976 11.192 -7.430 1.00 71.25 C ATOM 1383 CG HIS A 204 16.189 10.357 -8.656 1.00 30.04 C ATOM 1384 ND1 HIS A 204 15.221 9.526 -9.178 1.00 34.44 N ATOM 1385 CD2 HIS A 204 17.267 10.230 -9.464 1.00 24.23 C ATOM 1386 CE1 HIS A 204 15.695 8.922 -10.253 1.00 33.13 C ATOM 1387 NE2 HIS A 204 16.935 9.332 -10.448 1.00 52.23 N ATOM 0 H HIS A 204 17.811 13.369 -7.836 1.00 60.21 H new ATOM 0 HA HIS A 204 14.962 12.838 -8.366 1.00 1.03 H new ATOM 0 HB2 HIS A 204 16.815 11.044 -6.750 1.00 71.25 H new ATOM 0 HB3 HIS A 204 15.081 10.844 -6.914 1.00 71.25 H new ATOM 0 HD2 HIS A 204 18.213 10.740 -9.355 1.00 24.23 H new ATOM 0 HE1 HIS A 204 15.160 8.214 -10.868 1.00 33.13 H new ATOM 0 HE2 HIS A 204 17.547 9.031 -11.206 1.00 52.23 H new ATOM 1394 N ARG A 205 15.873 14.758 -6.466 1.00 51.15 N ATOM 1395 CA ARG A 205 15.711 15.605 -5.291 1.00 51.52 C ATOM 1396 C ARG A 205 14.234 15.811 -4.969 1.00 12.41 C ATOM 1397 O ARG A 205 13.796 15.581 -3.842 1.00 21.55 O ATOM 1398 CB ARG A 205 16.389 16.959 -5.515 1.00 34.34 C ATOM 1399 CG ARG A 205 17.582 17.200 -4.605 1.00 22.41 C ATOM 1400 CD ARG A 205 17.963 18.671 -4.564 1.00 44.21 C ATOM 1401 NE ARG A 205 16.853 19.512 -4.125 1.00 3.33 N ATOM 1402 CZ ARG A 205 16.950 20.826 -3.954 1.00 15.10 C ATOM 1403 NH1 ARG A 205 18.099 21.446 -4.185 1.00 73.40 N ATOM 1404 NH2 ARG A 205 15.894 21.523 -3.552 1.00 5.12 N ATOM 0 H ARG A 205 16.193 15.251 -7.300 1.00 51.15 H new ATOM 0 HA ARG A 205 16.183 15.105 -4.445 1.00 51.52 H new ATOM 0 HB2 ARG A 205 16.715 17.025 -6.553 1.00 34.34 H new ATOM 0 HB3 ARG A 205 15.658 17.752 -5.359 1.00 34.34 H new ATOM 0 HG2 ARG A 205 17.348 16.855 -3.598 1.00 22.41 H new ATOM 0 HG3 ARG A 205 18.431 16.613 -4.954 1.00 22.41 H new ATOM 0 HD2 ARG A 205 18.809 18.808 -3.891 1.00 44.21 H new ATOM 0 HD3 ARG A 205 18.289 18.989 -5.554 1.00 44.21 H new ATOM 0 HE ARG A 205 15.954 19.067 -3.940 1.00 3.33 H new ATOM 0 HH11 ARG A 205 18.912 20.914 -4.495 1.00 73.40 H new ATOM 0 HH12 ARG A 205 18.170 22.455 -4.053 1.00 73.40 H new ATOM 0 HH21 ARG A 205 15.008 21.050 -3.374 1.00 5.12 H new ATOM 0 HH22 ARG A 205 15.969 22.532 -3.421 1.00 5.12 H new ATOM 1418 N ASP A 206 13.471 16.247 -5.966 1.00 3.25 N ATOM 1419 CA ASP A 206 12.043 16.484 -5.789 1.00 23.13 C ATOM 1420 C ASP A 206 11.273 15.167 -5.765 1.00 41.31 C ATOM 1421 O ASP A 206 10.069 15.145 -5.507 1.00 23.35 O ATOM 1422 CB ASP A 206 11.511 17.381 -6.908 1.00 32.45 C ATOM 1423 CG ASP A 206 11.830 18.845 -6.678 1.00 23.34 C ATOM 1424 OD1 ASP A 206 11.737 19.297 -5.518 1.00 34.25 O ATOM 1425 OD2 ASP A 206 12.173 19.539 -7.658 1.00 21.40 O ATOM 0 H ASP A 206 13.818 16.443 -6.905 1.00 3.25 H new ATOM 0 HA ASP A 206 11.898 16.986 -4.832 1.00 23.13 H new ATOM 0 HB2 ASP A 206 11.940 17.064 -7.859 1.00 32.45 H new ATOM 0 HB3 ASP A 206 10.431 17.256 -6.988 1.00 32.45 H new ATOM 1430 N HIS A 207 11.975 14.072 -6.038 1.00 20.13 N ATOM 1431 CA HIS A 207 11.357 12.751 -6.048 1.00 60.23 C ATOM 1432 C HIS A 207 11.159 12.232 -4.627 1.00 40.31 C ATOM 1433 O HIS A 207 11.867 12.637 -3.705 1.00 71.23 O ATOM 1434 CB HIS A 207 12.215 11.769 -6.847 1.00 4.33 C ATOM 1435 CG HIS A 207 11.971 11.824 -8.323 1.00 62.14 C ATOM 1436 ND1 HIS A 207 12.686 11.074 -9.233 1.00 25.32 N ATOM 1437 CD2 HIS A 207 11.083 12.544 -9.048 1.00 20.02 C ATOM 1438 CE1 HIS A 207 12.250 11.331 -10.453 1.00 1.32 C ATOM 1439 NE2 HIS A 207 11.277 12.220 -10.368 1.00 53.11 N ATOM 0 H HIS A 207 12.972 14.073 -6.255 1.00 20.13 H new ATOM 0 HA HIS A 207 10.380 12.838 -6.523 1.00 60.23 H new ATOM 0 HB2 HIS A 207 13.267 11.977 -6.653 1.00 4.33 H new ATOM 0 HB3 HIS A 207 12.020 10.757 -6.492 1.00 4.33 H new ATOM 0 HD1 HIS A 207 13.435 10.422 -9.000 1.00 25.32 H new ATOM 0 HD2 HIS A 207 10.357 13.243 -8.660 1.00 20.02 H new ATOM 0 HE1 HIS A 207 12.625 10.890 -11.364 1.00 1.32 H new ATOM 1446 N GLN A 208 10.192 11.336 -4.459 1.00 0.14 N ATOM 1447 CA GLN A 208 9.901 10.764 -3.149 1.00 52.23 C ATOM 1448 C GLN A 208 10.500 9.368 -3.020 1.00 32.32 C ATOM 1449 O GLN A 208 9.971 8.401 -3.568 1.00 34.43 O ATOM 1450 CB GLN A 208 8.390 10.707 -2.919 1.00 13.31 C ATOM 1451 CG GLN A 208 7.993 10.806 -1.455 1.00 24.34 C ATOM 1452 CD GLN A 208 6.492 10.756 -1.252 1.00 31.02 C ATOM 1453 OE1 GLN A 208 5.851 11.781 -1.020 1.00 11.41 O ATOM 1454 NE2 GLN A 208 5.922 9.560 -1.338 1.00 72.25 N ATOM 0 H GLN A 208 9.597 10.991 -5.212 1.00 0.14 H new ATOM 0 HA GLN A 208 10.353 11.405 -2.392 1.00 52.23 H new ATOM 0 HB2 GLN A 208 7.916 11.519 -3.471 1.00 13.31 H new ATOM 0 HB3 GLN A 208 8.003 9.774 -3.329 1.00 13.31 H new ATOM 0 HG2 GLN A 208 8.458 9.991 -0.901 1.00 24.34 H new ATOM 0 HG3 GLN A 208 8.381 11.736 -1.040 1.00 24.34 H new ATOM 0 HE21 GLN A 208 6.492 8.736 -1.532 1.00 72.25 H new ATOM 0 HE22 GLN A 208 4.915 9.465 -1.210 1.00 72.25 H new ATOM 1463 N VAL A 209 11.608 9.269 -2.292 1.00 14.44 N ATOM 1464 CA VAL A 209 12.279 7.991 -2.089 1.00 74.13 C ATOM 1465 C VAL A 209 12.173 7.539 -0.637 1.00 62.53 C ATOM 1466 O VAL A 209 11.649 8.259 0.211 1.00 11.14 O ATOM 1467 CB VAL A 209 13.765 8.069 -2.485 1.00 22.52 C ATOM 1468 CG1 VAL A 209 13.910 8.499 -3.936 1.00 70.15 C ATOM 1469 CG2 VAL A 209 14.513 9.019 -1.561 1.00 72.54 C ATOM 0 H VAL A 209 12.060 10.060 -1.833 1.00 14.44 H new ATOM 0 HA VAL A 209 11.778 7.265 -2.729 1.00 74.13 H new ATOM 0 HB VAL A 209 14.203 7.076 -2.381 1.00 22.52 H new ATOM 0 HG11 VAL A 209 14.967 8.548 -4.197 1.00 70.15 H new ATOM 0 HG12 VAL A 209 13.410 7.777 -4.581 1.00 70.15 H new ATOM 0 HG13 VAL A 209 13.457 9.481 -4.072 1.00 70.15 H new ATOM 0 HG21 VAL A 209 15.562 9.062 -1.855 1.00 72.54 H new ATOM 0 HG22 VAL A 209 14.075 10.015 -1.631 1.00 72.54 H new ATOM 0 HG23 VAL A 209 14.439 8.661 -0.534 1.00 72.54 H new ATOM 1479 N ALA A 210 12.676 6.340 -0.359 1.00 12.24 N ATOM 1480 CA ALA A 210 12.641 5.792 0.992 1.00 54.24 C ATOM 1481 C ALA A 210 14.038 5.403 1.463 1.00 73.35 C ATOM 1482 O ALA A 210 14.720 4.605 0.820 1.00 54.02 O ATOM 1483 CB ALA A 210 11.708 4.591 1.050 1.00 50.52 C ATOM 0 H ALA A 210 13.112 5.730 -1.051 1.00 12.24 H new ATOM 0 HA ALA A 210 12.263 6.565 1.662 1.00 54.24 H new ATOM 0 HB1 ALA A 210 11.691 4.192 2.064 1.00 50.52 H new ATOM 0 HB2 ALA A 210 10.702 4.898 0.764 1.00 50.52 H new ATOM 0 HB3 ALA A 210 12.062 3.822 0.363 1.00 50.52 H new ATOM 1489 N ALA A 211 14.458 5.971 2.588 1.00 52.42 N ATOM 1490 CA ALA A 211 15.773 5.682 3.145 1.00 3.21 C ATOM 1491 C ALA A 211 15.723 4.472 4.072 1.00 11.52 C ATOM 1492 O ALA A 211 14.983 4.463 5.057 1.00 25.33 O ATOM 1493 CB ALA A 211 16.311 6.897 3.888 1.00 75.44 C ATOM 0 H ALA A 211 13.906 6.634 3.132 1.00 52.42 H new ATOM 0 HA ALA A 211 16.446 5.447 2.320 1.00 3.21 H new ATOM 0 HB1 ALA A 211 17.294 6.666 4.299 1.00 75.44 H new ATOM 0 HB2 ALA A 211 16.394 7.738 3.199 1.00 75.44 H new ATOM 0 HB3 ALA A 211 15.631 7.158 4.699 1.00 75.44 H new