USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 310 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 160 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0482) USER MOD Set 1.2: A 165 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Set 2.1: A 161 CYS SG : rot 162:sc= -0.947 USER MOD Set 2.2: A 164 CYS SG : rot 180:sc= -3.76! USER MOD Set 2.3: A 166 SER OG : rot -57:sc= 0.305 USER MOD Set 2.4: A 169 HIS : no HE2:sc= -2.72! K(o=-6.7!,f=-9.4) USER MOD Set 2.5: A 174 CYS SG : rot 77:sc= 0.428 USER MOD Set 3.1: A 139 CYS SG : rot 159:sc= -2.3 USER MOD Set 3.2: A 142 CYS SG : rot -54:sc= -0.669 USER MOD Set 3.3: A 147 HIS : no HE2:sc= -1.16 K(o=-3.5,f=-5) USER MOD Set 3.4: A 152 CYS SG : rot 90:sc= 0.649 USER MOD Set 4.1: A 140 TYR OH : rot 130:sc= -2.98! USER MOD Set 4.2: A 162 HIS : no HE2:sc= -5.4! C(o=-8.4!,f=-10!) USER MOD Single : A 141 ASN : amide:sc= 0.964 K(o=0.96,f=-4.2!) USER MOD Single : A 148 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.46) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.568) USER MOD Single : A 157 GLN : amide:sc= -1.91 K(o=-1.9,f=-5.3!) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl 165:sc= -0.614 (180deg=-0.974) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ -102:sc= -0.946 (180deg=-4.39!) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 137 -17.431 7.947 -0.108 1.00 0.00 N ATOM 67 CA ASP A 137 -16.083 7.412 -0.259 1.00 0.00 C ATOM 68 C ASP A 137 -15.040 8.514 -0.100 1.00 0.00 C ATOM 69 O ASP A 137 -14.911 9.389 -0.957 1.00 0.00 O ATOM 70 CB ASP A 137 -15.928 6.740 -1.624 1.00 0.00 C ATOM 71 CG ASP A 137 -16.668 7.480 -2.721 1.00 0.00 C ATOM 72 OD1 ASP A 137 -16.223 8.585 -3.095 1.00 0.00 O ATOM 73 OD2 ASP A 137 -17.693 6.955 -3.205 1.00 0.00 O ATOM 0 HA ASP A 137 -15.924 6.670 0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -14.870 6.682 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -16.299 5.717 -1.566 1.00 0.00 H new ATOM 78 N ARG A 138 -14.300 8.466 1.003 1.00 0.00 N ATOM 79 CA ARG A 138 -13.270 9.462 1.276 1.00 0.00 C ATOM 80 C ARG A 138 -11.897 8.807 1.390 1.00 0.00 C ATOM 81 O ARG A 138 -11.782 7.581 1.415 1.00 0.00 O ATOM 82 CB ARG A 138 -13.594 10.221 2.563 1.00 0.00 C ATOM 83 CG ARG A 138 -13.367 9.405 3.825 1.00 0.00 C ATOM 84 CD ARG A 138 -14.642 8.710 4.276 1.00 0.00 C ATOM 85 NE ARG A 138 -14.397 7.769 5.365 1.00 0.00 N ATOM 86 CZ ARG A 138 -15.288 7.491 6.310 1.00 0.00 C ATOM 87 NH1 ARG A 138 -16.477 8.077 6.299 1.00 0.00 N ATOM 88 NH2 ARG A 138 -14.991 6.623 7.269 1.00 0.00 N ATOM 0 H ARG A 138 -14.394 7.749 1.722 1.00 0.00 H new ATOM 0 HA ARG A 138 -13.249 10.165 0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -12.981 11.121 2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -14.634 10.544 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -12.591 8.662 3.644 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -13.005 10.056 4.621 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -15.367 9.457 4.599 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -15.084 8.180 3.432 1.00 0.00 H new ATOM 0 HE ARG A 138 -13.492 7.299 5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -16.710 8.744 5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -17.159 7.861 7.026 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -14.078 6.169 7.281 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -15.676 6.410 7.994 1.00 0.00 H new ATOM 102 N CYS A 139 -10.857 9.632 1.459 1.00 0.00 N ATOM 103 CA CYS A 139 -9.491 9.134 1.570 1.00 0.00 C ATOM 104 C CYS A 139 -9.359 8.166 2.742 1.00 0.00 C ATOM 105 O CYS A 139 -9.414 8.570 3.904 1.00 0.00 O ATOM 106 CB CYS A 139 -8.514 10.298 1.742 1.00 0.00 C ATOM 107 SG CYS A 139 -6.853 9.799 2.299 1.00 0.00 S ATOM 0 H CYS A 139 -10.935 10.649 1.440 1.00 0.00 H new ATOM 0 HA CYS A 139 -9.250 8.599 0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -8.424 10.826 0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -8.930 11.004 2.461 1.00 0.00 H new ATOM 0 HG CYS A 139 -5.995 10.726 1.990 1.00 0.00 H new ATOM 112 N TYR A 140 -9.182 6.887 2.429 1.00 0.00 N ATOM 113 CA TYR A 140 -9.044 5.861 3.455 1.00 0.00 C ATOM 114 C TYR A 140 -7.626 5.841 4.017 1.00 0.00 C ATOM 115 O TYR A 140 -7.047 4.777 4.233 1.00 0.00 O ATOM 116 CB TYR A 140 -9.398 4.487 2.884 1.00 0.00 C ATOM 117 CG TYR A 140 -8.280 3.859 2.082 1.00 0.00 C ATOM 118 CD1 TYR A 140 -7.936 4.350 0.829 1.00 0.00 C ATOM 119 CD2 TYR A 140 -7.568 2.774 2.579 1.00 0.00 C ATOM 120 CE1 TYR A 140 -6.916 3.778 0.093 1.00 0.00 C ATOM 121 CE2 TYR A 140 -6.546 2.197 1.851 1.00 0.00 C ATOM 122 CZ TYR A 140 -6.224 2.702 0.609 1.00 0.00 C ATOM 123 OH TYR A 140 -5.206 2.131 -0.121 1.00 0.00 O ATOM 0 H TYR A 140 -9.131 6.536 1.473 1.00 0.00 H new ATOM 0 HA TYR A 140 -9.734 6.098 4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -9.665 3.820 3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -10.280 4.582 2.250 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -8.475 5.193 0.423 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -7.818 2.375 3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -6.662 4.171 -0.880 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -6.002 1.355 2.252 1.00 0.00 H new ATOM 0 HH TYR A 140 -4.408 2.046 0.442 1.00 0.00 H new ATOM 133 N ASN A 141 -7.072 7.026 4.253 1.00 0.00 N ATOM 134 CA ASN A 141 -5.722 7.146 4.790 1.00 0.00 C ATOM 135 C ASN A 141 -5.679 8.156 5.933 1.00 0.00 C ATOM 136 O ASN A 141 -5.263 7.832 7.046 1.00 0.00 O ATOM 137 CB ASN A 141 -4.747 7.565 3.687 1.00 0.00 C ATOM 138 CG ASN A 141 -3.301 7.310 4.066 1.00 0.00 C ATOM 139 OD1 ASN A 141 -2.980 6.296 4.686 1.00 0.00 O ATOM 140 ND2 ASN A 141 -2.421 8.231 3.693 1.00 0.00 N ATOM 0 H ASN A 141 -7.538 7.917 4.081 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.424 6.172 5.178 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -4.981 7.020 2.772 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -4.881 8.625 3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -1.433 8.114 3.919 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -2.732 9.056 3.180 1.00 0.00 H new ATOM 147 N CYS A 142 -6.112 9.380 5.650 1.00 0.00 N ATOM 148 CA CYS A 142 -6.123 10.438 6.653 1.00 0.00 C ATOM 149 C CYS A 142 -7.553 10.855 6.988 1.00 0.00 C ATOM 150 O CYS A 142 -7.885 11.095 8.147 1.00 0.00 O ATOM 151 CB CYS A 142 -5.330 11.648 6.157 1.00 0.00 C ATOM 152 SG CYS A 142 -6.178 12.614 4.866 1.00 0.00 S ATOM 0 H CYS A 142 -6.460 9.664 4.734 1.00 0.00 H new ATOM 0 HA CYS A 142 -5.654 10.051 7.558 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -5.117 12.301 7.003 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.371 11.306 5.769 1.00 0.00 H new ATOM 0 HG CYS A 142 -6.519 11.827 3.889 1.00 0.00 H new ATOM 157 N GLY A 143 -8.395 10.937 5.962 1.00 0.00 N ATOM 158 CA GLY A 143 -9.778 11.325 6.167 1.00 0.00 C ATOM 159 C GLY A 143 -10.133 12.609 5.445 1.00 0.00 C ATOM 160 O GLY A 143 -10.950 13.394 5.926 1.00 0.00 O ATOM 0 H GLY A 143 -8.144 10.742 4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -10.432 10.524 5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -9.963 11.449 7.234 1.00 0.00 H new ATOM 164 N GLY A 144 -9.517 12.826 4.287 1.00 0.00 N ATOM 165 CA GLY A 144 -9.785 14.027 3.518 1.00 0.00 C ATOM 166 C GLY A 144 -10.955 13.859 2.569 1.00 0.00 C ATOM 167 O GLY A 144 -10.991 12.917 1.776 1.00 0.00 O ATOM 0 H GLY A 144 -8.837 12.192 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -9.990 14.853 4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -8.895 14.296 2.949 1.00 0.00 H new ATOM 171 N LEU A 145 -11.917 14.772 2.651 1.00 0.00 N ATOM 172 CA LEU A 145 -13.096 14.720 1.794 1.00 0.00 C ATOM 173 C LEU A 145 -12.863 15.493 0.500 1.00 0.00 C ATOM 174 O LEU A 145 -13.327 15.091 -0.567 1.00 0.00 O ATOM 175 CB LEU A 145 -14.311 15.289 2.530 1.00 0.00 C ATOM 176 CG LEU A 145 -14.683 14.600 3.844 1.00 0.00 C ATOM 177 CD1 LEU A 145 -15.719 15.417 4.600 1.00 0.00 C ATOM 178 CD2 LEU A 145 -15.199 13.193 3.580 1.00 0.00 C ATOM 0 H LEU A 145 -11.903 15.557 3.302 1.00 0.00 H new ATOM 0 HA LEU A 145 -13.287 13.677 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -14.125 16.343 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -15.171 15.241 1.862 1.00 0.00 H new ATOM 0 HG LEU A 145 -13.787 14.527 4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -15.972 14.911 5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -15.313 16.404 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -16.616 15.522 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -15.459 12.717 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -16.083 13.243 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -14.425 12.609 3.081 1.00 0.00 H new ATOM 190 N ASP A 146 -12.141 16.604 0.602 1.00 0.00 N ATOM 191 CA ASP A 146 -11.843 17.432 -0.561 1.00 0.00 C ATOM 192 C ASP A 146 -10.984 16.670 -1.565 1.00 0.00 C ATOM 193 O ASP A 146 -11.313 16.597 -2.750 1.00 0.00 O ATOM 194 CB ASP A 146 -11.130 18.715 -0.131 1.00 0.00 C ATOM 195 CG ASP A 146 -9.775 18.443 0.491 1.00 0.00 C ATOM 196 OD1 ASP A 146 -9.722 18.199 1.714 1.00 0.00 O ATOM 197 OD2 ASP A 146 -8.766 18.475 -0.246 1.00 0.00 O ATOM 0 H ASP A 146 -11.751 16.952 1.478 1.00 0.00 H new ATOM 0 HA ASP A 146 -12.786 17.693 -1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.005 19.366 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.754 19.252 0.584 1.00 0.00 H new ATOM 202 N HIS A 147 -9.882 16.103 -1.084 1.00 0.00 N ATOM 203 CA HIS A 147 -8.975 15.347 -1.940 1.00 0.00 C ATOM 204 C HIS A 147 -9.278 13.854 -1.867 1.00 0.00 C ATOM 205 O HIS A 147 -9.972 13.394 -0.959 1.00 0.00 O ATOM 206 CB HIS A 147 -7.524 15.605 -1.534 1.00 0.00 C ATOM 207 CG HIS A 147 -7.154 15.001 -0.215 1.00 0.00 C ATOM 208 ND1 HIS A 147 -6.961 15.749 0.928 1.00 0.00 N ATOM 209 CD2 HIS A 147 -6.944 13.712 0.141 1.00 0.00 C ATOM 210 CE1 HIS A 147 -6.646 14.946 1.929 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.629 13.705 1.478 1.00 0.00 N ATOM 0 H HIS A 147 -9.596 16.153 -0.106 1.00 0.00 H new ATOM 0 HA HIS A 147 -9.122 15.680 -2.967 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -6.864 15.207 -2.304 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -7.353 16.681 -1.492 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -7.048 16.763 0.991 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -7.012 12.850 -0.506 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -6.438 15.253 2.943 1.00 0.00 H new ATOM 219 N HIS A 148 -8.755 13.101 -2.829 1.00 0.00 N ATOM 220 CA HIS A 148 -8.970 11.659 -2.874 1.00 0.00 C ATOM 221 C HIS A 148 -7.756 10.911 -2.331 1.00 0.00 C ATOM 222 O HIS A 148 -6.625 11.384 -2.437 1.00 0.00 O ATOM 223 CB HIS A 148 -9.261 11.210 -4.307 1.00 0.00 C ATOM 224 CG HIS A 148 -10.307 12.033 -4.992 1.00 0.00 C ATOM 225 ND1 HIS A 148 -11.284 12.727 -4.310 1.00 0.00 N ATOM 226 CD2 HIS A 148 -10.525 12.273 -6.306 1.00 0.00 C ATOM 227 CE1 HIS A 148 -12.059 13.357 -5.175 1.00 0.00 C ATOM 228 NE2 HIS A 148 -11.619 13.098 -6.394 1.00 0.00 N ATOM 0 H HIS A 148 -8.179 13.465 -3.588 1.00 0.00 H new ATOM 0 HA HIS A 148 -9.830 11.425 -2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -8.339 11.253 -4.887 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -9.581 10.168 -4.295 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -9.946 11.887 -7.132 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -12.907 13.978 -4.928 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -12.026 13.453 -7.259 1.00 0.00 H new ATOM 236 N ALA A 149 -7.999 9.742 -1.747 1.00 0.00 N ATOM 237 CA ALA A 149 -6.927 8.929 -1.188 1.00 0.00 C ATOM 238 C ALA A 149 -5.717 8.902 -2.117 1.00 0.00 C ATOM 239 O ALA A 149 -4.574 8.970 -1.666 1.00 0.00 O ATOM 240 CB ALA A 149 -7.420 7.515 -0.920 1.00 0.00 C ATOM 0 H ALA A 149 -8.930 9.337 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 149 -6.619 9.379 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -6.608 6.920 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -8.248 7.546 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -7.758 7.064 -1.853 1.00 0.00 H new ATOM 246 N LYS A 150 -5.977 8.801 -3.416 1.00 0.00 N ATOM 247 CA LYS A 150 -4.911 8.765 -4.410 1.00 0.00 C ATOM 248 C LYS A 150 -4.146 10.085 -4.435 1.00 0.00 C ATOM 249 O LYS A 150 -2.936 10.115 -4.217 1.00 0.00 O ATOM 250 CB LYS A 150 -5.487 8.471 -5.796 1.00 0.00 C ATOM 251 CG LYS A 150 -4.453 8.522 -6.908 1.00 0.00 C ATOM 252 CD LYS A 150 -4.314 9.924 -7.476 1.00 0.00 C ATOM 253 CE LYS A 150 -3.607 9.913 -8.822 1.00 0.00 C ATOM 254 NZ LYS A 150 -2.133 9.761 -8.673 1.00 0.00 N ATOM 0 H LYS A 150 -6.918 8.743 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.219 7.969 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.949 7.484 -5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -6.277 9.191 -6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.489 8.186 -6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.738 7.833 -7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -5.301 10.372 -7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.757 10.547 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.997 9.097 -9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -3.825 10.839 -9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -1.688 9.758 -9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.757 10.553 -8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -1.924 8.865 -8.188 1.00 0.00 H new ATOM 268 N GLU A 151 -4.862 11.173 -4.702 1.00 0.00 N ATOM 269 CA GLU A 151 -4.250 12.496 -4.754 1.00 0.00 C ATOM 270 C GLU A 151 -3.469 12.785 -3.475 1.00 0.00 C ATOM 271 O GLU A 151 -2.354 13.305 -3.519 1.00 0.00 O ATOM 272 CB GLU A 151 -5.319 13.569 -4.967 1.00 0.00 C ATOM 273 CG GLU A 151 -5.968 13.518 -6.339 1.00 0.00 C ATOM 274 CD GLU A 151 -5.037 13.982 -7.443 1.00 0.00 C ATOM 275 OE1 GLU A 151 -4.129 13.211 -7.816 1.00 0.00 O ATOM 276 OE2 GLU A 151 -5.218 15.116 -7.933 1.00 0.00 O ATOM 0 H GLU A 151 -5.865 11.165 -4.885 1.00 0.00 H new ATOM 0 HA GLU A 151 -3.556 12.514 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -6.091 13.457 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -4.869 14.551 -4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -6.291 12.498 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -6.862 14.141 -6.337 1.00 0.00 H new ATOM 283 N CYS A 152 -4.064 12.446 -2.337 1.00 0.00 N ATOM 284 CA CYS A 152 -3.428 12.669 -1.044 1.00 0.00 C ATOM 285 C CYS A 152 -1.914 12.504 -1.147 1.00 0.00 C ATOM 286 O CYS A 152 -1.418 11.709 -1.946 1.00 0.00 O ATOM 287 CB CYS A 152 -3.988 11.700 -0.002 1.00 0.00 C ATOM 288 SG CYS A 152 -3.732 12.231 1.722 1.00 0.00 S ATOM 0 H CYS A 152 -4.987 12.015 -2.284 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.644 13.691 -0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -5.056 11.573 -0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.524 10.724 -0.143 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.740 12.955 2.107 1.00 0.00 H new ATOM 293 N LYS A 153 -1.185 13.260 -0.334 1.00 0.00 N ATOM 294 CA LYS A 153 0.271 13.197 -0.331 1.00 0.00 C ATOM 295 C LYS A 153 0.777 12.337 0.823 1.00 0.00 C ATOM 296 O LYS A 153 1.681 11.518 0.650 1.00 0.00 O ATOM 297 CB LYS A 153 0.863 14.605 -0.228 1.00 0.00 C ATOM 298 CG LYS A 153 0.482 15.511 -1.386 1.00 0.00 C ATOM 299 CD LYS A 153 1.267 16.812 -1.357 1.00 0.00 C ATOM 300 CE LYS A 153 2.554 16.704 -2.160 1.00 0.00 C ATOM 301 NZ LYS A 153 3.703 16.281 -1.313 1.00 0.00 N ATOM 0 H LYS A 153 -1.579 13.924 0.332 1.00 0.00 H new ATOM 0 HA LYS A 153 0.591 12.742 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.532 15.062 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.949 14.531 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 153 0.665 14.995 -2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -0.585 15.728 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 153 0.653 17.618 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 153 1.501 17.074 -0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 153 2.417 15.988 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 153 2.777 17.667 -2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 4.440 17.014 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 3.381 16.145 -0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 4.092 15.387 -1.676 1.00 0.00 H new ATOM 315 N LEU A 154 0.187 12.526 1.998 1.00 0.00 N ATOM 316 CA LEU A 154 0.577 11.765 3.180 1.00 0.00 C ATOM 317 C LEU A 154 0.905 10.321 2.815 1.00 0.00 C ATOM 318 O LEU A 154 0.398 9.772 1.837 1.00 0.00 O ATOM 319 CB LEU A 154 -0.542 11.798 4.223 1.00 0.00 C ATOM 320 CG LEU A 154 -0.949 13.183 4.728 1.00 0.00 C ATOM 321 CD1 LEU A 154 -2.255 13.106 5.503 1.00 0.00 C ATOM 322 CD2 LEU A 154 0.152 13.780 5.592 1.00 0.00 C ATOM 0 H LEU A 154 -0.563 13.199 2.158 1.00 0.00 H new ATOM 0 HA LEU A 154 1.471 12.226 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -1.422 11.315 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -0.232 11.198 5.079 1.00 0.00 H new ATOM 0 HG LEU A 154 -1.100 13.833 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -2.529 14.101 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -3.041 12.722 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -2.132 12.440 6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -0.155 14.765 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 154 0.335 13.131 6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 154 1.066 13.872 5.005 1.00 0.00 H new ATOM 334 N PRO A 155 1.773 9.689 3.620 1.00 0.00 N ATOM 335 CA PRO A 155 2.186 8.300 3.403 1.00 0.00 C ATOM 336 C PRO A 155 1.059 7.310 3.678 1.00 0.00 C ATOM 337 O PRO A 155 0.294 7.453 4.632 1.00 0.00 O ATOM 338 CB PRO A 155 3.324 8.107 4.408 1.00 0.00 C ATOM 339 CG PRO A 155 3.052 9.102 5.483 1.00 0.00 C ATOM 340 CD PRO A 155 2.416 10.283 4.804 1.00 0.00 C ATOM 0 HA PRO A 155 2.477 8.119 2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 155 3.336 7.091 4.803 1.00 0.00 H new ATOM 0 HB3 PRO A 155 4.295 8.280 3.945 1.00 0.00 H new ATOM 0 HG2 PRO A 155 2.390 8.685 6.242 1.00 0.00 H new ATOM 0 HG3 PRO A 155 3.973 9.392 5.988 1.00 0.00 H new ATOM 0 HD2 PRO A 155 1.690 10.776 5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 155 3.156 11.033 4.526 1.00 0.00 H new ATOM 348 N PRO A 156 0.952 6.281 2.825 1.00 0.00 N ATOM 349 CA PRO A 156 -0.078 5.247 2.957 1.00 0.00 C ATOM 350 C PRO A 156 0.155 4.347 4.166 1.00 0.00 C ATOM 351 O PRO A 156 1.237 3.785 4.333 1.00 0.00 O ATOM 352 CB PRO A 156 0.056 4.445 1.660 1.00 0.00 C ATOM 353 CG PRO A 156 1.466 4.655 1.229 1.00 0.00 C ATOM 354 CD PRO A 156 1.830 6.047 1.666 1.00 0.00 C ATOM 0 HA PRO A 156 -1.068 5.676 3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -0.154 3.388 1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -0.646 4.796 0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 156 2.127 3.918 1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 156 1.564 4.547 0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 156 2.883 6.120 1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 156 1.654 6.776 0.875 1.00 0.00 H new ATOM 362 N GLN A 157 -0.868 4.215 5.005 1.00 0.00 N ATOM 363 CA GLN A 157 -0.773 3.383 6.199 1.00 0.00 C ATOM 364 C GLN A 157 -0.036 2.082 5.898 1.00 0.00 C ATOM 365 O GLN A 157 0.045 1.636 4.754 1.00 0.00 O ATOM 366 CB GLN A 157 -2.168 3.078 6.746 1.00 0.00 C ATOM 367 CG GLN A 157 -2.763 4.215 7.562 1.00 0.00 C ATOM 368 CD GLN A 157 -1.743 4.884 8.461 1.00 0.00 C ATOM 369 OE1 GLN A 157 -1.089 4.229 9.273 1.00 0.00 O ATOM 370 NE2 GLN A 157 -1.601 6.197 8.322 1.00 0.00 N ATOM 0 H GLN A 157 -1.771 4.673 4.880 1.00 0.00 H new ATOM 0 HA GLN A 157 -0.208 3.934 6.951 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.834 2.852 5.914 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -2.118 2.183 7.367 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -3.189 4.957 6.887 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -3.581 3.831 8.171 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -2.163 6.701 7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -0.929 6.701 8.901 1.00 0.00 H new ATOM 379 N PRO A 158 0.515 1.457 6.950 1.00 0.00 N ATOM 380 CA PRO A 158 1.255 0.198 6.823 1.00 0.00 C ATOM 381 C PRO A 158 0.346 -0.976 6.478 1.00 0.00 C ATOM 382 O PRO A 158 0.785 -2.126 6.445 1.00 0.00 O ATOM 383 CB PRO A 158 1.870 0.007 8.212 1.00 0.00 C ATOM 384 CG PRO A 158 0.971 0.759 9.131 1.00 0.00 C ATOM 385 CD PRO A 158 0.458 1.932 8.342 1.00 0.00 C ATOM 0 HA PRO A 158 1.989 0.236 6.018 1.00 0.00 H new ATOM 0 HB2 PRO A 158 1.919 -1.048 8.482 1.00 0.00 H new ATOM 0 HB3 PRO A 158 2.888 0.393 8.251 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.149 0.130 9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 158 1.510 1.091 10.018 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -0.557 2.200 8.634 1.00 0.00 H new ATOM 0 HD3 PRO A 158 1.076 2.817 8.490 1.00 0.00 H new ATOM 393 N LYS A 159 -0.923 -0.680 6.219 1.00 0.00 N ATOM 394 CA LYS A 159 -1.895 -1.711 5.874 1.00 0.00 C ATOM 395 C LYS A 159 -1.399 -2.557 4.706 1.00 0.00 C ATOM 396 O LYS A 159 -0.271 -2.392 4.241 1.00 0.00 O ATOM 397 CB LYS A 159 -3.241 -1.073 5.521 1.00 0.00 C ATOM 398 CG LYS A 159 -3.891 -0.341 6.682 1.00 0.00 C ATOM 399 CD LYS A 159 -5.189 0.328 6.263 1.00 0.00 C ATOM 400 CE LYS A 159 -6.311 -0.685 6.099 1.00 0.00 C ATOM 401 NZ LYS A 159 -7.019 -0.941 7.384 1.00 0.00 N ATOM 0 H LYS A 159 -1.303 0.266 6.241 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.023 -2.360 6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -3.097 -0.374 4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -3.919 -1.849 5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.088 -1.044 7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.203 0.409 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -5.474 1.070 7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -5.038 0.861 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -7.023 -0.322 5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -5.903 -1.621 5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -7.777 -1.637 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -6.345 -1.312 8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -7.431 -0.053 7.736 1.00 0.00 H new ATOM 415 N LYS A 160 -2.250 -3.462 4.234 1.00 0.00 N ATOM 416 CA LYS A 160 -1.900 -4.333 3.118 1.00 0.00 C ATOM 417 C LYS A 160 -1.997 -3.584 1.793 1.00 0.00 C ATOM 418 O LYS A 160 -2.721 -2.594 1.678 1.00 0.00 O ATOM 419 CB LYS A 160 -2.817 -5.557 3.093 1.00 0.00 C ATOM 420 CG LYS A 160 -4.235 -5.246 2.645 1.00 0.00 C ATOM 421 CD LYS A 160 -5.033 -6.516 2.398 1.00 0.00 C ATOM 422 CE LYS A 160 -6.528 -6.267 2.521 1.00 0.00 C ATOM 423 NZ LYS A 160 -7.065 -5.524 1.347 1.00 0.00 N ATOM 0 H LYS A 160 -3.187 -3.611 4.607 1.00 0.00 H new ATOM 0 HA LYS A 160 -0.870 -4.662 3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -2.390 -6.306 2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -2.848 -5.998 4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -4.734 -4.644 3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -4.207 -4.650 1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -4.808 -6.901 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -4.731 -7.282 3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -7.048 -7.220 2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -6.728 -5.702 3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -8.024 -5.182 1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -6.448 -4.714 1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -7.099 -6.156 0.522 1.00 0.00 H new ATOM 437 N CYS A 161 -1.265 -4.063 0.792 1.00 0.00 N ATOM 438 CA CYS A 161 -1.269 -3.440 -0.526 1.00 0.00 C ATOM 439 C CYS A 161 -2.696 -3.259 -1.037 1.00 0.00 C ATOM 440 O CYS A 161 -3.454 -4.223 -1.150 1.00 0.00 O ATOM 441 CB CYS A 161 -0.465 -4.286 -1.515 1.00 0.00 C ATOM 442 SG CYS A 161 -0.362 -3.575 -3.189 1.00 0.00 S ATOM 0 H CYS A 161 -0.661 -4.881 0.869 1.00 0.00 H new ATOM 0 HA CYS A 161 -0.805 -2.457 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 161 0.544 -4.420 -1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -0.915 -5.276 -1.580 1.00 0.00 H new ATOM 0 HG CYS A 161 0.617 -4.132 -3.838 1.00 0.00 H new ATOM 447 N HIS A 162 -3.054 -2.016 -1.344 1.00 0.00 N ATOM 448 CA HIS A 162 -4.389 -1.708 -1.845 1.00 0.00 C ATOM 449 C HIS A 162 -4.430 -1.785 -3.368 1.00 0.00 C ATOM 450 O HIS A 162 -5.140 -1.019 -4.020 1.00 0.00 O ATOM 451 CB HIS A 162 -4.821 -0.316 -1.381 1.00 0.00 C ATOM 452 CG HIS A 162 -4.241 0.795 -2.201 1.00 0.00 C ATOM 453 ND1 HIS A 162 -4.964 1.489 -3.148 1.00 0.00 N ATOM 454 CD2 HIS A 162 -2.999 1.332 -2.211 1.00 0.00 C ATOM 455 CE1 HIS A 162 -4.192 2.404 -3.705 1.00 0.00 C ATOM 456 NE2 HIS A 162 -2.994 2.330 -3.154 1.00 0.00 N ATOM 0 H HIS A 162 -2.439 -1.207 -1.255 1.00 0.00 H new ATOM 0 HA HIS A 162 -5.081 -2.448 -1.444 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -5.909 -0.252 -1.415 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -4.526 -0.181 -0.340 1.00 0.00 H new ATOM 0 HD1 HIS A 162 -5.943 1.322 -3.382 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -2.166 1.031 -1.592 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -4.490 3.095 -4.479 1.00 0.00 H new ATOM 464 N PHE A 163 -3.664 -2.715 -3.929 1.00 0.00 N ATOM 465 CA PHE A 163 -3.612 -2.891 -5.375 1.00 0.00 C ATOM 466 C PHE A 163 -3.809 -4.357 -5.752 1.00 0.00 C ATOM 467 O PHE A 163 -4.674 -4.691 -6.562 1.00 0.00 O ATOM 468 CB PHE A 163 -2.275 -2.388 -5.924 1.00 0.00 C ATOM 469 CG PHE A 163 -2.199 -2.401 -7.424 1.00 0.00 C ATOM 470 CD1 PHE A 163 -2.968 -1.530 -8.178 1.00 0.00 C ATOM 471 CD2 PHE A 163 -1.358 -3.286 -8.080 1.00 0.00 C ATOM 472 CE1 PHE A 163 -2.900 -1.540 -9.558 1.00 0.00 C ATOM 473 CE2 PHE A 163 -1.285 -3.300 -9.460 1.00 0.00 C ATOM 474 CZ PHE A 163 -2.058 -2.427 -10.200 1.00 0.00 C ATOM 0 H PHE A 163 -3.071 -3.358 -3.404 1.00 0.00 H new ATOM 0 HA PHE A 163 -4.421 -2.308 -5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -2.105 -1.372 -5.569 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -1.471 -3.005 -5.522 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -3.629 -0.835 -7.681 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -0.753 -3.972 -7.506 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -3.505 -0.855 -10.134 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -0.624 -3.993 -9.959 1.00 0.00 H new ATOM 0 HZ PHE A 163 -2.004 -2.438 -11.279 1.00 0.00 H new ATOM 484 N CYS A 164 -3.000 -5.228 -5.158 1.00 0.00 N ATOM 485 CA CYS A 164 -3.082 -6.658 -5.431 1.00 0.00 C ATOM 486 C CYS A 164 -3.270 -7.448 -4.139 1.00 0.00 C ATOM 487 O CYS A 164 -2.922 -8.626 -4.064 1.00 0.00 O ATOM 488 CB CYS A 164 -1.821 -7.134 -6.154 1.00 0.00 C ATOM 489 SG CYS A 164 -0.313 -7.079 -5.134 1.00 0.00 S ATOM 0 H CYS A 164 -2.280 -4.968 -4.484 1.00 0.00 H new ATOM 0 HA CYS A 164 -3.947 -6.831 -6.072 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -1.977 -8.156 -6.498 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -1.669 -6.519 -7.041 1.00 0.00 H new ATOM 0 HG CYS A 164 0.699 -7.502 -5.832 1.00 0.00 H new ATOM 494 N GLN A 165 -3.823 -6.790 -3.125 1.00 0.00 N ATOM 495 CA GLN A 165 -4.057 -7.431 -1.836 1.00 0.00 C ATOM 496 C GLN A 165 -2.842 -8.246 -1.405 1.00 0.00 C ATOM 497 O GLN A 165 -2.977 -9.295 -0.776 1.00 0.00 O ATOM 498 CB GLN A 165 -5.291 -8.331 -1.907 1.00 0.00 C ATOM 499 CG GLN A 165 -6.597 -7.565 -2.041 1.00 0.00 C ATOM 500 CD GLN A 165 -7.788 -8.344 -1.519 1.00 0.00 C ATOM 501 OE1 GLN A 165 -8.120 -8.273 -0.336 1.00 0.00 O ATOM 502 NE2 GLN A 165 -8.437 -9.094 -2.402 1.00 0.00 N ATOM 0 H GLN A 165 -4.117 -5.814 -3.171 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.228 -6.650 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -5.188 -9.008 -2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -5.332 -8.948 -1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -6.518 -6.623 -1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -6.762 -7.316 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -8.126 -9.123 -3.373 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -9.246 -9.641 -2.109 1.00 0.00 H new ATOM 511 N SER A 166 -1.655 -7.755 -1.747 1.00 0.00 N ATOM 512 CA SER A 166 -0.415 -8.441 -1.400 1.00 0.00 C ATOM 513 C SER A 166 0.048 -8.048 0.000 1.00 0.00 C ATOM 514 O SER A 166 0.937 -7.212 0.160 1.00 0.00 O ATOM 515 CB SER A 166 0.676 -8.114 -2.420 1.00 0.00 C ATOM 516 OG SER A 166 1.964 -8.380 -1.892 1.00 0.00 O ATOM 0 H SER A 166 -1.525 -6.885 -2.264 1.00 0.00 H new ATOM 0 HA SER A 166 -0.605 -9.514 -1.414 1.00 0.00 H new ATOM 0 HB2 SER A 166 0.521 -8.703 -3.324 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.607 -7.065 -2.707 1.00 0.00 H new ATOM 0 HG SER A 166 2.090 -7.870 -1.065 1.00 0.00 H new ATOM 522 N ILE A 167 -0.562 -8.658 1.011 1.00 0.00 N ATOM 523 CA ILE A 167 -0.213 -8.374 2.397 1.00 0.00 C ATOM 524 C ILE A 167 1.300 -8.376 2.594 1.00 0.00 C ATOM 525 O ILE A 167 1.812 -7.792 3.549 1.00 0.00 O ATOM 526 CB ILE A 167 -0.845 -9.398 3.358 1.00 0.00 C ATOM 527 CG1 ILE A 167 -0.388 -10.814 3.002 1.00 0.00 C ATOM 528 CG2 ILE A 167 -2.363 -9.298 3.315 1.00 0.00 C ATOM 529 CD1 ILE A 167 -0.783 -11.852 4.029 1.00 0.00 C ATOM 0 H ILE A 167 -1.300 -9.352 0.896 1.00 0.00 H new ATOM 0 HA ILE A 167 -0.606 -7.383 2.625 1.00 0.00 H new ATOM 0 HB ILE A 167 -0.515 -9.175 4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -0.810 -11.091 2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 167 0.696 -10.820 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -2.795 -10.028 3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -2.670 -8.295 3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -2.712 -9.499 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -0.427 -12.832 3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -0.339 -11.599 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -1.869 -11.874 4.125 1.00 0.00 H new ATOM 541 N SER A 168 2.009 -9.034 1.683 1.00 0.00 N ATOM 542 CA SER A 168 3.463 -9.114 1.757 1.00 0.00 C ATOM 543 C SER A 168 4.092 -7.737 1.569 1.00 0.00 C ATOM 544 O SER A 168 4.557 -7.118 2.527 1.00 0.00 O ATOM 545 CB SER A 168 3.997 -10.080 0.698 1.00 0.00 C ATOM 546 OG SER A 168 5.413 -10.114 0.706 1.00 0.00 O ATOM 0 H SER A 168 1.600 -9.520 0.885 1.00 0.00 H new ATOM 0 HA SER A 168 3.732 -9.486 2.746 1.00 0.00 H new ATOM 0 HB2 SER A 168 3.605 -11.080 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 168 3.643 -9.776 -0.287 1.00 0.00 H new ATOM 0 HG SER A 168 5.729 -10.740 0.021 1.00 0.00 H new ATOM 552 N HIS A 169 4.104 -7.263 0.328 1.00 0.00 N ATOM 553 CA HIS A 169 4.676 -5.958 0.013 1.00 0.00 C ATOM 554 C HIS A 169 3.622 -4.860 0.131 1.00 0.00 C ATOM 555 O HIS A 169 2.473 -5.125 0.484 1.00 0.00 O ATOM 556 CB HIS A 169 5.266 -5.964 -1.398 1.00 0.00 C ATOM 557 CG HIS A 169 4.234 -6.056 -2.479 1.00 0.00 C ATOM 558 ND1 HIS A 169 4.298 -6.977 -3.504 1.00 0.00 N ATOM 559 CD2 HIS A 169 3.107 -5.338 -2.691 1.00 0.00 C ATOM 560 CE1 HIS A 169 3.256 -6.819 -4.300 1.00 0.00 C ATOM 561 NE2 HIS A 169 2.517 -5.831 -3.828 1.00 0.00 N ATOM 0 H HIS A 169 3.724 -7.762 -0.476 1.00 0.00 H new ATOM 0 HA HIS A 169 5.470 -5.754 0.731 1.00 0.00 H new ATOM 0 HB2 HIS A 169 5.851 -5.056 -1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 169 5.954 -6.804 -1.492 1.00 0.00 H new ATOM 0 HD1 HIS A 169 5.035 -7.671 -3.628 1.00 0.00 H new ATOM 0 HD2 HIS A 169 2.740 -4.527 -2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 169 3.044 -7.399 -5.186 1.00 0.00 H new ATOM 569 N MET A 170 4.023 -3.628 -0.164 1.00 0.00 N ATOM 570 CA MET A 170 3.113 -2.491 -0.091 1.00 0.00 C ATOM 571 C MET A 170 2.827 -1.933 -1.481 1.00 0.00 C ATOM 572 O MET A 170 3.383 -2.400 -2.475 1.00 0.00 O ATOM 573 CB MET A 170 3.703 -1.396 0.800 1.00 0.00 C ATOM 574 CG MET A 170 3.535 -1.665 2.286 1.00 0.00 C ATOM 575 SD MET A 170 4.688 -2.908 2.901 1.00 0.00 S ATOM 576 CE MET A 170 3.553 -4.162 3.490 1.00 0.00 C ATOM 0 H MET A 170 4.971 -3.392 -0.456 1.00 0.00 H new ATOM 0 HA MET A 170 2.174 -2.836 0.342 1.00 0.00 H new ATOM 0 HB2 MET A 170 4.764 -1.290 0.576 1.00 0.00 H new ATOM 0 HB3 MET A 170 3.229 -0.445 0.555 1.00 0.00 H new ATOM 0 HG2 MET A 170 3.679 -0.736 2.838 1.00 0.00 H new ATOM 0 HG3 MET A 170 2.514 -1.995 2.479 1.00 0.00 H new ATOM 0 HE1 MET A 170 4.093 -5.095 3.652 1.00 0.00 H new ATOM 0 HE2 MET A 170 3.104 -3.835 4.428 1.00 0.00 H new ATOM 0 HE3 MET A 170 2.769 -4.320 2.749 1.00 0.00 H new ATOM 586 N VAL A 171 1.956 -0.931 -1.544 1.00 0.00 N ATOM 587 CA VAL A 171 1.597 -0.309 -2.813 1.00 0.00 C ATOM 588 C VAL A 171 2.708 0.610 -3.308 1.00 0.00 C ATOM 589 O VAL A 171 2.757 0.961 -4.487 1.00 0.00 O ATOM 590 CB VAL A 171 0.292 0.501 -2.691 1.00 0.00 C ATOM 591 CG1 VAL A 171 0.511 1.742 -1.839 1.00 0.00 C ATOM 592 CG2 VAL A 171 -0.232 0.876 -4.069 1.00 0.00 C ATOM 0 H VAL A 171 1.486 -0.533 -0.731 1.00 0.00 H new ATOM 0 HA VAL A 171 1.450 -1.116 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 171 -0.456 -0.120 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -0.422 2.301 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 171 0.837 1.446 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 171 1.274 2.369 -2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -1.154 1.448 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 171 0.512 1.479 -4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -0.430 -0.030 -4.642 1.00 0.00 H new ATOM 602 N ALA A 172 3.598 0.996 -2.400 1.00 0.00 N ATOM 603 CA ALA A 172 4.711 1.872 -2.745 1.00 0.00 C ATOM 604 C ALA A 172 5.824 1.097 -3.444 1.00 0.00 C ATOM 605 O ALA A 172 6.537 1.641 -4.287 1.00 0.00 O ATOM 606 CB ALA A 172 5.247 2.560 -1.499 1.00 0.00 C ATOM 0 H ALA A 172 3.570 0.716 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 172 4.343 2.631 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 172 6.078 3.211 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 172 4.455 3.154 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 172 5.593 1.809 -0.789 1.00 0.00 H new ATOM 612 N SER A 173 5.966 -0.176 -3.088 1.00 0.00 N ATOM 613 CA SER A 173 6.995 -1.024 -3.677 1.00 0.00 C ATOM 614 C SER A 173 6.398 -1.947 -4.735 1.00 0.00 C ATOM 615 O SER A 173 7.092 -2.395 -5.648 1.00 0.00 O ATOM 616 CB SER A 173 7.687 -1.852 -2.592 1.00 0.00 C ATOM 617 OG SER A 173 8.575 -1.054 -1.830 1.00 0.00 O ATOM 0 H SER A 173 5.381 -0.642 -2.395 1.00 0.00 H new ATOM 0 HA SER A 173 7.732 -0.379 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 173 6.938 -2.296 -1.936 1.00 0.00 H new ATOM 0 HB3 SER A 173 8.235 -2.674 -3.052 1.00 0.00 H new ATOM 0 HG SER A 173 9.003 -1.606 -1.143 1.00 0.00 H new ATOM 623 N CYS A 174 5.106 -2.227 -4.605 1.00 0.00 N ATOM 624 CA CYS A 174 4.413 -3.097 -5.547 1.00 0.00 C ATOM 625 C CYS A 174 4.954 -2.908 -6.961 1.00 0.00 C ATOM 626 O CYS A 174 4.883 -1.823 -7.540 1.00 0.00 O ATOM 627 CB CYS A 174 2.909 -2.815 -5.523 1.00 0.00 C ATOM 628 SG CYS A 174 1.911 -4.022 -6.453 1.00 0.00 S ATOM 0 H CYS A 174 4.517 -1.864 -3.856 1.00 0.00 H new ATOM 0 HA CYS A 174 4.587 -4.130 -5.245 1.00 0.00 H new ATOM 0 HB2 CYS A 174 2.570 -2.800 -4.487 1.00 0.00 H new ATOM 0 HB3 CYS A 174 2.730 -1.820 -5.931 1.00 0.00 H new ATOM 0 HG CYS A 174 1.789 -5.113 -5.757 1.00 0.00 H new ATOM 633 N PRO A 175 5.508 -3.987 -7.532 1.00 0.00 N ATOM 634 CA PRO A 175 6.072 -3.966 -8.885 1.00 0.00 C ATOM 635 C PRO A 175 4.997 -3.829 -9.959 1.00 0.00 C ATOM 636 O PRO A 175 5.151 -3.064 -10.911 1.00 0.00 O ATOM 637 CB PRO A 175 6.772 -5.323 -8.999 1.00 0.00 C ATOM 638 CG PRO A 175 6.053 -6.202 -8.036 1.00 0.00 C ATOM 639 CD PRO A 175 5.628 -5.312 -6.901 1.00 0.00 C ATOM 0 HA PRO A 175 6.736 -3.115 -9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.712 -5.715 -10.014 1.00 0.00 H new ATOM 0 HB3 PRO A 175 7.830 -5.245 -8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.190 -6.673 -8.507 1.00 0.00 H new ATOM 0 HG3 PRO A 175 6.700 -7.004 -7.682 1.00 0.00 H new ATOM 0 HD2 PRO A 175 4.682 -5.638 -6.468 1.00 0.00 H new ATOM 0 HD3 PRO A 175 6.363 -5.309 -6.096 1.00 0.00 H new ATOM 647 N LEU A 176 3.910 -4.575 -9.798 1.00 0.00 N ATOM 648 CA LEU A 176 2.808 -4.536 -10.754 1.00 0.00 C ATOM 649 C LEU A 176 2.340 -3.103 -10.988 1.00 0.00 C ATOM 650 O LEU A 176 2.105 -2.693 -12.125 1.00 0.00 O ATOM 651 CB LEU A 176 1.642 -5.390 -10.253 1.00 0.00 C ATOM 652 CG LEU A 176 1.938 -6.876 -10.046 1.00 0.00 C ATOM 653 CD1 LEU A 176 0.903 -7.503 -9.125 1.00 0.00 C ATOM 654 CD2 LEU A 176 1.975 -7.603 -11.382 1.00 0.00 C ATOM 0 H LEU A 176 3.768 -5.214 -9.016 1.00 0.00 H new ATOM 0 HA LEU A 176 3.166 -4.940 -11.701 1.00 0.00 H new ATOM 0 HB2 LEU A 176 1.294 -4.974 -9.307 1.00 0.00 H new ATOM 0 HB3 LEU A 176 0.820 -5.299 -10.963 1.00 0.00 H new ATOM 0 HG LEU A 176 2.917 -6.970 -9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 176 1.130 -8.560 -8.989 1.00 0.00 H new ATOM 0 HD12 LEU A 176 0.924 -7.000 -8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -0.088 -7.398 -9.567 1.00 0.00 H new ATOM 0 HD21 LEU A 176 2.187 -8.659 -11.216 1.00 0.00 H new ATOM 0 HD22 LEU A 176 1.010 -7.500 -11.879 1.00 0.00 H new ATOM 0 HD23 LEU A 176 2.754 -7.171 -12.010 1.00 0.00 H new ATOM 666 N LYS A 177 2.209 -2.345 -9.906 1.00 0.00 N ATOM 667 CA LYS A 177 1.773 -0.956 -9.992 1.00 0.00 C ATOM 668 C LYS A 177 2.588 -0.194 -11.032 1.00 0.00 C ATOM 669 O LYS A 177 2.035 0.542 -11.850 1.00 0.00 O ATOM 670 CB LYS A 177 1.902 -0.274 -8.628 1.00 0.00 C ATOM 671 CG LYS A 177 1.723 1.233 -8.683 1.00 0.00 C ATOM 672 CD LYS A 177 1.125 1.771 -7.393 1.00 0.00 C ATOM 673 CE LYS A 177 -0.394 1.794 -7.450 1.00 0.00 C ATOM 674 NZ LYS A 177 -0.980 0.451 -7.183 1.00 0.00 N ATOM 0 H LYS A 177 2.399 -2.669 -8.958 1.00 0.00 H new ATOM 0 HA LYS A 177 0.727 -0.948 -10.298 1.00 0.00 H new ATOM 0 HB2 LYS A 177 1.161 -0.695 -7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 177 2.883 -0.500 -8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 177 2.687 1.708 -8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 177 1.077 1.493 -9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 177 1.449 1.154 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 177 1.499 2.779 -7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -0.774 2.508 -6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -0.715 2.142 -8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 -1.272 0.015 -8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 -0.270 -0.152 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -1.808 0.551 -6.562 1.00 0.00 H new ATOM 688 N ALA A 178 3.904 -0.376 -10.997 1.00 0.00 N ATOM 689 CA ALA A 178 4.793 0.292 -11.939 1.00 0.00 C ATOM 690 C ALA A 178 5.105 -0.607 -13.131 1.00 0.00 C ATOM 691 O ALA A 178 6.228 -0.617 -13.633 1.00 0.00 O ATOM 692 CB ALA A 178 6.079 0.714 -11.243 1.00 0.00 C ATOM 0 H ALA A 178 4.378 -0.981 -10.326 1.00 0.00 H new ATOM 0 HA ALA A 178 4.285 1.182 -12.311 1.00 0.00 H new ATOM 0 HB1 ALA A 178 6.734 1.212 -11.959 1.00 0.00 H new ATOM 0 HB2 ALA A 178 5.844 1.399 -10.429 1.00 0.00 H new ATOM 0 HB3 ALA A 178 6.582 -0.166 -10.843 1.00 0.00 H new