USER MOD reduce.3.24.130724 H: found=0, std=0, add=213, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 210 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 141 CYS SG : rot 36:sc= 0.345 USER MOD Set 1.2: A 144 CYS SG : rot -46:sc= 0.434 USER MOD Set 1.3: A 157 HIS : no HD1:sc= -0.779 K(o=-1,f=-5.7!) USER MOD Set 1.4: A 161 HIS : no HD1:sc= -0.998 K(o=-1,f=-3.1) USER MOD Single : A 137 LYS NZ :NH3+ -144:sc= 0.696 (180deg=0.155) USER MOD Single : A 139 TYR OH : rot 180:sc= -0.484 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 142 LYS NZ :NH3+ -162:sc= 0.186 (180deg=0.0886) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 149 SER OG : rot 180:sc=-0.00631 USER MOD Single : A 150 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.4) USER MOD Single : A 153 SER OG : rot 180:sc= -0.369 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 136 -9.766 8.228 8.697 1.00 0.00 N ATOM 67 CA GLU A 136 -9.626 6.779 8.612 1.00 0.00 C ATOM 68 C GLU A 136 -9.929 6.285 7.200 1.00 0.00 C ATOM 69 O GLU A 136 -10.510 7.006 6.389 1.00 0.00 O ATOM 70 CB GLU A 136 -10.557 6.094 9.614 1.00 0.00 C ATOM 71 CG GLU A 136 -9.892 5.772 10.942 1.00 0.00 C ATOM 72 CD GLU A 136 -10.144 4.345 11.389 1.00 0.00 C ATOM 73 OE1 GLU A 136 -9.866 3.418 10.599 1.00 0.00 O ATOM 74 OE2 GLU A 136 -10.619 4.155 12.528 1.00 0.00 O ATOM 0 HA GLU A 136 -8.594 6.525 8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.418 6.737 9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.935 5.171 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -8.818 5.938 10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -10.260 6.458 11.705 1.00 0.00 H new ATOM 81 N LYS A 137 -9.530 5.051 6.913 1.00 0.00 N ATOM 82 CA LYS A 137 -9.758 4.458 5.600 1.00 0.00 C ATOM 83 C LYS A 137 -10.743 3.297 5.691 1.00 0.00 C ATOM 84 O LYS A 137 -10.913 2.676 6.741 1.00 0.00 O ATOM 85 CB LYS A 137 -8.436 3.973 5.000 1.00 0.00 C ATOM 86 CG LYS A 137 -7.518 5.101 4.560 1.00 0.00 C ATOM 87 CD LYS A 137 -6.469 4.613 3.575 1.00 0.00 C ATOM 88 CE LYS A 137 -5.488 5.718 3.212 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.236 5.174 2.617 1.00 0.00 N ATOM 0 H LYS A 137 -9.047 4.441 7.572 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.185 5.224 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.916 3.359 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.648 3.333 4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.108 5.894 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.027 5.533 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.927 3.771 4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.958 4.248 2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.958 6.403 2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.245 6.296 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.426 5.748 2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.102 4.191 2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -4.304 5.202 1.580 1.00 0.00 H new ATOM 103 N PRO A 138 -11.408 2.995 4.566 1.00 0.00 N ATOM 104 CA PRO A 138 -12.386 1.906 4.493 1.00 0.00 C ATOM 105 C PRO A 138 -11.732 0.532 4.592 1.00 0.00 C ATOM 106 O PRO A 138 -12.409 -0.475 4.803 1.00 0.00 O ATOM 107 CB PRO A 138 -13.026 2.095 3.116 1.00 0.00 C ATOM 108 CG PRO A 138 -11.993 2.807 2.313 1.00 0.00 C ATOM 109 CD PRO A 138 -11.256 3.693 3.279 1.00 0.00 C ATOM 0 HA PRO A 138 -13.098 1.942 5.318 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.287 1.137 2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.946 2.676 3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.314 2.100 1.836 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.453 3.394 1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.207 3.803 3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.684 4.695 3.312 1.00 0.00 H new ATOM 117 N TYR A 139 -10.413 0.497 4.439 1.00 0.00 N ATOM 118 CA TYR A 139 -9.668 -0.754 4.510 1.00 0.00 C ATOM 119 C TYR A 139 -8.474 -0.625 5.451 1.00 0.00 C ATOM 120 O TYR A 139 -7.896 0.453 5.593 1.00 0.00 O ATOM 121 CB TYR A 139 -9.191 -1.167 3.116 1.00 0.00 C ATOM 122 CG TYR A 139 -10.289 -1.172 2.077 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.249 -2.176 2.058 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.366 -0.173 1.114 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.254 -2.186 1.110 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.369 -0.174 0.164 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.310 -1.182 0.166 1.00 0.00 C ATOM 128 OH TYR A 139 -13.309 -1.187 -0.781 1.00 0.00 O ATOM 0 H TYR A 139 -9.838 1.321 4.265 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.334 -1.523 4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.402 -0.487 2.795 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.751 -2.163 3.172 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.209 -2.962 2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.630 0.617 1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -12.991 -2.975 1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.416 0.611 -0.577 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.206 -0.410 -1.370 1.00 0.00 H new ATOM 138 N GLN A 140 -8.110 -1.732 6.090 1.00 0.00 N ATOM 139 CA GLN A 140 -6.985 -1.743 7.017 1.00 0.00 C ATOM 140 C GLN A 140 -6.376 -3.138 7.117 1.00 0.00 C ATOM 141 O GLN A 140 -7.079 -4.118 7.362 1.00 0.00 O ATOM 142 CB GLN A 140 -7.433 -1.269 8.401 1.00 0.00 C ATOM 143 CG GLN A 140 -6.294 -1.148 9.401 1.00 0.00 C ATOM 144 CD GLN A 140 -6.774 -1.177 10.838 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.809 -0.599 11.171 1.00 0.00 O ATOM 146 NE2 GLN A 140 -6.022 -1.851 11.700 1.00 0.00 N ATOM 0 H GLN A 140 -8.577 -2.632 5.983 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.225 -1.061 6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.924 -0.301 8.303 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.176 -1.965 8.791 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.587 -1.962 9.241 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -5.755 -0.218 9.221 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -5.172 -2.315 11.381 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.295 -1.905 12.681 1.00 0.00 H new ATOM 155 N CYS A 141 -5.063 -3.219 6.926 1.00 0.00 N ATOM 156 CA CYS A 141 -4.358 -4.494 6.994 1.00 0.00 C ATOM 157 C CYS A 141 -4.353 -5.038 8.419 1.00 0.00 C ATOM 158 O CYS A 141 -4.142 -4.296 9.379 1.00 0.00 O ATOM 159 CB CYS A 141 -2.921 -4.333 6.493 1.00 0.00 C ATOM 160 SG CYS A 141 -2.051 -5.908 6.212 1.00 0.00 S ATOM 0 H CYS A 141 -4.466 -2.417 6.723 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.882 -5.205 6.355 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.933 -3.766 5.562 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.359 -3.744 7.218 1.00 0.00 H new ATOM 0 HG CYS A 141 -2.886 -6.788 5.746 1.00 0.00 H new ATOM 165 N LYS A 142 -4.588 -6.339 8.550 1.00 0.00 N ATOM 166 CA LYS A 142 -4.610 -6.985 9.857 1.00 0.00 C ATOM 167 C LYS A 142 -3.331 -7.783 10.091 1.00 0.00 C ATOM 168 O LYS A 142 -3.326 -8.759 10.841 1.00 0.00 O ATOM 169 CB LYS A 142 -5.826 -7.907 9.974 1.00 0.00 C ATOM 170 CG LYS A 142 -5.801 -9.073 9.001 1.00 0.00 C ATOM 171 CD LYS A 142 -6.678 -8.806 7.788 1.00 0.00 C ATOM 172 CE LYS A 142 -6.566 -9.924 6.763 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.602 -9.807 5.700 1.00 0.00 N ATOM 0 H LYS A 142 -4.766 -6.967 7.766 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.677 -6.207 10.617 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.881 -8.295 10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.731 -7.324 9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.776 -9.256 8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.142 -9.977 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.716 -8.703 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.389 -7.860 7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -5.575 -9.902 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -6.666 -10.887 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.698 -10.718 5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -8.513 -9.548 6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -7.320 -9.073 5.019 1.00 0.00 H new ATOM 187 N GLU A 143 -2.248 -7.360 9.446 1.00 0.00 N ATOM 188 CA GLU A 143 -0.964 -8.035 9.586 1.00 0.00 C ATOM 189 C GLU A 143 0.101 -7.077 10.113 1.00 0.00 C ATOM 190 O GLU A 143 0.992 -7.474 10.864 1.00 0.00 O ATOM 191 CB GLU A 143 -0.520 -8.618 8.242 1.00 0.00 C ATOM 192 CG GLU A 143 -1.617 -9.380 7.517 1.00 0.00 C ATOM 193 CD GLU A 143 -2.230 -10.473 8.371 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.587 -10.883 9.360 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.351 -10.920 8.049 1.00 0.00 O ATOM 0 H GLU A 143 -2.235 -6.553 8.822 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.086 -8.846 10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.168 -7.808 7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.326 -9.285 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.397 -8.683 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.208 -9.821 6.608 1.00 0.00 H new ATOM 202 N CYS A 144 0.001 -5.814 9.713 1.00 0.00 N ATOM 203 CA CYS A 144 0.954 -4.798 10.143 1.00 0.00 C ATOM 204 C CYS A 144 0.231 -3.573 10.695 1.00 0.00 C ATOM 205 O CYS A 144 0.678 -2.959 11.663 1.00 0.00 O ATOM 206 CB CYS A 144 1.856 -4.389 8.977 1.00 0.00 C ATOM 207 SG CYS A 144 0.952 -3.830 7.497 1.00 0.00 S ATOM 0 H CYS A 144 -0.731 -5.470 9.091 1.00 0.00 H new ATOM 0 HA CYS A 144 1.568 -5.224 10.937 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.519 -3.590 9.308 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.487 -5.235 8.706 1.00 0.00 H new ATOM 0 HG CYS A 144 -0.011 -4.663 7.236 1.00 0.00 H new ATOM 212 N GLY A 145 -0.890 -3.223 10.071 1.00 0.00 N ATOM 213 CA GLY A 145 -1.657 -2.073 10.514 1.00 0.00 C ATOM 214 C GLY A 145 -1.791 -1.016 9.436 1.00 0.00 C ATOM 215 O GLY A 145 -2.108 0.138 9.723 1.00 0.00 O ATOM 0 H GLY A 145 -1.280 -3.715 9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.650 -2.400 10.824 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.178 -1.636 11.390 1.00 0.00 H new ATOM 219 N LYS A 146 -1.548 -1.409 8.190 1.00 0.00 N ATOM 220 CA LYS A 146 -1.643 -0.488 7.064 1.00 0.00 C ATOM 221 C LYS A 146 -3.100 -0.162 6.749 1.00 0.00 C ATOM 222 O LYS A 146 -4.015 -0.715 7.358 1.00 0.00 O ATOM 223 CB LYS A 146 -0.965 -1.087 5.830 1.00 0.00 C ATOM 224 CG LYS A 146 0.306 -0.363 5.422 1.00 0.00 C ATOM 225 CD LYS A 146 0.378 -0.166 3.917 1.00 0.00 C ATOM 226 CE LYS A 146 0.988 1.180 3.559 1.00 0.00 C ATOM 227 NZ LYS A 146 -0.054 2.218 3.330 1.00 0.00 N ATOM 0 H LYS A 146 -1.284 -2.360 7.935 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.133 0.436 7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.730 -2.133 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.667 -1.070 4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.349 0.606 5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.173 -0.932 5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.971 -0.965 3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.623 -0.238 3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.652 1.503 4.361 1.00 0.00 H new ATOM 0 HE3 LYS A 146 1.599 1.075 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 0.402 3.121 3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.672 1.922 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.621 2.337 4.194 1.00 0.00 H new ATOM 241 N SER A 147 -3.306 0.739 5.794 1.00 0.00 N ATOM 242 CA SER A 147 -4.652 1.140 5.400 1.00 0.00 C ATOM 243 C SER A 147 -4.675 1.610 3.949 1.00 0.00 C ATOM 244 O SER A 147 -3.803 2.363 3.513 1.00 0.00 O ATOM 245 CB SER A 147 -5.164 2.253 6.316 1.00 0.00 C ATOM 246 OG SER A 147 -4.493 3.474 6.060 1.00 0.00 O ATOM 0 H SER A 147 -2.559 1.205 5.279 1.00 0.00 H new ATOM 0 HA SER A 147 -5.305 0.273 5.494 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.236 2.386 6.168 1.00 0.00 H new ATOM 0 HB3 SER A 147 -5.019 1.966 7.358 1.00 0.00 H new ATOM 0 HG SER A 147 -4.840 4.169 6.657 1.00 0.00 H new ATOM 252 N PHE A 148 -5.680 1.161 3.204 1.00 0.00 N ATOM 253 CA PHE A 148 -5.818 1.534 1.801 1.00 0.00 C ATOM 254 C PHE A 148 -7.218 2.072 1.516 1.00 0.00 C ATOM 255 O PHE A 148 -8.138 1.891 2.314 1.00 0.00 O ATOM 256 CB PHE A 148 -5.529 0.331 0.901 1.00 0.00 C ATOM 257 CG PHE A 148 -4.123 -0.184 1.023 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.763 -1.009 2.076 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.163 0.156 0.084 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.470 -1.485 2.191 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.869 -0.317 0.194 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.522 -1.138 1.249 1.00 0.00 C ATOM 0 H PHE A 148 -6.411 0.538 3.549 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.095 2.321 1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.224 -0.472 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.717 0.609 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.501 -1.283 2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.429 0.798 -0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.202 -2.127 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.130 -0.045 -0.545 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.511 -1.508 1.337 1.00 0.00 H new ATOM 272 N SER A 149 -7.370 2.733 0.374 1.00 0.00 N ATOM 273 CA SER A 149 -8.655 3.302 -0.015 1.00 0.00 C ATOM 274 C SER A 149 -9.247 2.545 -1.201 1.00 0.00 C ATOM 275 O SER A 149 -10.088 3.072 -1.929 1.00 0.00 O ATOM 276 CB SER A 149 -8.497 4.782 -0.368 1.00 0.00 C ATOM 277 OG SER A 149 -8.136 4.946 -1.729 1.00 0.00 O ATOM 0 H SER A 149 -6.619 2.888 -0.299 1.00 0.00 H new ATOM 0 HA SER A 149 -9.336 3.209 0.831 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.431 5.308 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.736 5.232 0.270 1.00 0.00 H new ATOM 0 HG SER A 149 -8.043 5.901 -1.930 1.00 0.00 H new ATOM 283 N GLN A 150 -8.802 1.307 -1.386 1.00 0.00 N ATOM 284 CA GLN A 150 -9.287 0.478 -2.483 1.00 0.00 C ATOM 285 C GLN A 150 -9.205 -1.002 -2.124 1.00 0.00 C ATOM 286 O GLN A 150 -8.149 -1.499 -1.731 1.00 0.00 O ATOM 287 CB GLN A 150 -8.479 0.751 -3.753 1.00 0.00 C ATOM 288 CG GLN A 150 -8.624 2.173 -4.272 1.00 0.00 C ATOM 289 CD GLN A 150 -10.049 2.505 -4.670 1.00 0.00 C ATOM 290 OE1 GLN A 150 -10.867 1.613 -4.896 1.00 0.00 O ATOM 291 NE2 GLN A 150 -10.353 3.795 -4.759 1.00 0.00 N ATOM 0 H GLN A 150 -8.107 0.856 -0.791 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.331 0.733 -2.663 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.426 0.551 -3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.794 0.055 -4.531 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.293 2.872 -3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.969 2.311 -5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -9.643 4.501 -4.563 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -11.296 4.080 -5.024 1.00 0.00 H new ATOM 300 N ARG A 151 -10.327 -1.702 -2.261 1.00 0.00 N ATOM 301 CA ARG A 151 -10.383 -3.125 -1.949 1.00 0.00 C ATOM 302 C ARG A 151 -9.282 -3.886 -2.682 1.00 0.00 C ATOM 303 O ARG A 151 -8.680 -4.808 -2.134 1.00 0.00 O ATOM 304 CB ARG A 151 -11.750 -3.698 -2.325 1.00 0.00 C ATOM 305 CG ARG A 151 -11.909 -5.170 -1.983 1.00 0.00 C ATOM 306 CD ARG A 151 -13.099 -5.404 -1.066 1.00 0.00 C ATOM 307 NE ARG A 151 -13.713 -6.710 -1.288 1.00 0.00 N ATOM 308 CZ ARG A 151 -14.782 -7.142 -0.627 1.00 0.00 C ATOM 309 NH1 ARG A 151 -15.352 -6.375 0.292 1.00 0.00 N ATOM 310 NH2 ARG A 151 -15.282 -8.343 -0.885 1.00 0.00 N ATOM 0 H ARG A 151 -11.209 -1.306 -2.586 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.230 -3.242 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.526 -3.129 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -11.909 -3.563 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.036 -5.746 -2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.001 -5.533 -1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -12.777 -5.327 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -13.841 -4.622 -1.229 1.00 0.00 H new ATOM 0 HE ARG A 151 -13.299 -7.325 -1.989 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -14.970 -5.451 0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -16.172 -6.709 0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -14.846 -8.936 -1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -16.102 -8.674 -0.377 1.00 0.00 H new ATOM 324 N GLY A 152 -9.024 -3.492 -3.926 1.00 0.00 N ATOM 325 CA GLY A 152 -7.996 -4.147 -4.714 1.00 0.00 C ATOM 326 C GLY A 152 -6.597 -3.808 -4.239 1.00 0.00 C ATOM 327 O GLY A 152 -5.713 -4.665 -4.230 1.00 0.00 O ATOM 0 H GLY A 152 -9.509 -2.731 -4.402 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.140 -5.226 -4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.102 -3.855 -5.759 1.00 0.00 H new ATOM 331 N SER A 153 -6.395 -2.555 -3.844 1.00 0.00 N ATOM 332 CA SER A 153 -5.092 -2.104 -3.371 1.00 0.00 C ATOM 333 C SER A 153 -4.675 -2.865 -2.117 1.00 0.00 C ATOM 334 O SER A 153 -3.560 -3.380 -2.030 1.00 0.00 O ATOM 335 CB SER A 153 -5.123 -0.601 -3.083 1.00 0.00 C ATOM 336 OG SER A 153 -5.232 0.146 -4.282 1.00 0.00 O ATOM 0 H SER A 153 -7.117 -1.835 -3.842 1.00 0.00 H new ATOM 0 HA SER A 153 -4.360 -2.302 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.964 -0.370 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.217 -0.311 -2.551 1.00 0.00 H new ATOM 0 HG SER A 153 -5.252 1.103 -4.071 1.00 0.00 H new ATOM 342 N LEU A 154 -5.580 -2.933 -1.146 1.00 0.00 N ATOM 343 CA LEU A 154 -5.308 -3.632 0.105 1.00 0.00 C ATOM 344 C LEU A 154 -4.889 -5.075 -0.157 1.00 0.00 C ATOM 345 O LEU A 154 -3.886 -5.547 0.378 1.00 0.00 O ATOM 346 CB LEU A 154 -6.544 -3.604 1.007 1.00 0.00 C ATOM 347 CG LEU A 154 -6.571 -4.629 2.141 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.433 -4.374 3.118 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.912 -4.594 2.859 1.00 0.00 C ATOM 0 H LEU A 154 -6.508 -2.513 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.487 -3.120 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.629 -2.608 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.426 -3.756 0.385 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.438 -5.622 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.468 -5.113 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.480 -4.451 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.534 -3.375 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.914 -5.330 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.076 -3.600 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.709 -4.827 2.153 1.00 0.00 H new ATOM 361 N ALA A 155 -5.662 -5.769 -0.985 1.00 0.00 N ATOM 362 CA ALA A 155 -5.369 -7.157 -1.321 1.00 0.00 C ATOM 363 C ALA A 155 -3.923 -7.317 -1.779 1.00 0.00 C ATOM 364 O ALA A 155 -3.205 -8.197 -1.304 1.00 0.00 O ATOM 365 CB ALA A 155 -6.323 -7.652 -2.398 1.00 0.00 C ATOM 0 H ALA A 155 -6.496 -5.393 -1.436 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.508 -7.759 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.093 -8.690 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.349 -7.583 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.212 -7.039 -3.292 1.00 0.00 H new ATOM 371 N VAL A 156 -3.502 -6.461 -2.705 1.00 0.00 N ATOM 372 CA VAL A 156 -2.142 -6.507 -3.227 1.00 0.00 C ATOM 373 C VAL A 156 -1.118 -6.413 -2.101 1.00 0.00 C ATOM 374 O VAL A 156 -0.008 -6.936 -2.211 1.00 0.00 O ATOM 375 CB VAL A 156 -1.887 -5.370 -4.233 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.498 -5.493 -4.840 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.954 -5.371 -5.318 1.00 0.00 C ATOM 0 H VAL A 156 -4.084 -5.727 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.032 -7.464 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.941 -4.420 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.337 -4.680 -5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.251 -5.439 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.410 -6.448 -5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.759 -4.561 -6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.934 -6.324 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.935 -5.229 -4.864 1.00 0.00 H new ATOM 387 N HIS A 157 -1.498 -5.743 -1.018 1.00 0.00 N ATOM 388 CA HIS A 157 -0.613 -5.581 0.130 1.00 0.00 C ATOM 389 C HIS A 157 -0.806 -6.717 1.130 1.00 0.00 C ATOM 390 O HIS A 157 0.036 -6.940 2.000 1.00 0.00 O ATOM 391 CB HIS A 157 -0.869 -4.236 0.812 1.00 0.00 C ATOM 392 CG HIS A 157 -0.164 -4.087 2.125 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.076 -3.497 2.251 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.533 -4.454 3.375 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.440 -3.509 3.521 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.481 -4.084 4.224 1.00 0.00 N ATOM 0 H HIS A 157 -2.412 -5.304 -0.911 1.00 0.00 H new ATOM 0 HA HIS A 157 0.416 -5.608 -0.229 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.552 -3.434 0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.941 -4.115 0.969 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.453 -4.946 3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.365 -3.116 3.917 1.00 0.00 H new ATOM 0 HE2 HIS A 157 0.492 -4.230 5.233 1.00 0.00 H new ATOM 404 N GLU A 158 -1.920 -7.430 1.000 1.00 0.00 N ATOM 405 CA GLU A 158 -2.224 -8.541 1.894 1.00 0.00 C ATOM 406 C GLU A 158 -1.703 -9.857 1.322 1.00 0.00 C ATOM 407 O GLU A 158 -1.641 -10.868 2.022 1.00 0.00 O ATOM 408 CB GLU A 158 -3.732 -8.638 2.130 1.00 0.00 C ATOM 409 CG GLU A 158 -4.335 -7.381 2.737 1.00 0.00 C ATOM 410 CD GLU A 158 -5.262 -7.681 3.898 1.00 0.00 C ATOM 411 OE1 GLU A 158 -4.759 -8.052 4.980 1.00 0.00 O ATOM 412 OE2 GLU A 158 -6.492 -7.546 3.726 1.00 0.00 O ATOM 0 H GLU A 158 -2.627 -7.258 0.285 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.726 -8.354 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.227 -8.847 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.935 -9.483 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.533 -6.726 3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.885 -6.839 1.968 1.00 0.00 H new ATOM 419 N ARG A 159 -1.329 -9.835 0.047 1.00 0.00 N ATOM 420 CA ARG A 159 -0.815 -11.025 -0.619 1.00 0.00 C ATOM 421 C ARG A 159 0.710 -11.004 -0.670 1.00 0.00 C ATOM 422 O ARG A 159 1.361 -12.037 -0.511 1.00 0.00 O ATOM 423 CB ARG A 159 -1.382 -11.127 -2.036 1.00 0.00 C ATOM 424 CG ARG A 159 -1.025 -9.945 -2.922 1.00 0.00 C ATOM 425 CD ARG A 159 0.145 -10.268 -3.838 1.00 0.00 C ATOM 426 NE ARG A 159 -0.144 -11.400 -4.715 1.00 0.00 N ATOM 427 CZ ARG A 159 0.606 -11.727 -5.762 1.00 0.00 C ATOM 428 NH1 ARG A 159 1.683 -11.014 -6.060 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.278 -12.771 -6.513 1.00 0.00 N ATOM 0 H ARG A 159 -1.372 -9.006 -0.545 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.130 -11.897 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -1.014 -12.042 -2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.467 -11.212 -1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.891 -9.664 -3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.775 -9.085 -2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.385 -9.393 -4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.026 -10.491 -3.236 1.00 0.00 H new ATOM 0 HE ARG A 159 -0.965 -11.970 -4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 159 1.938 -10.211 -5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.256 -11.268 -6.864 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.550 -13.322 -6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 159 0.854 -13.022 -7.317 1.00 0.00 H new ATOM 443 N LEU A 160 1.272 -9.822 -0.894 1.00 0.00 N ATOM 444 CA LEU A 160 2.721 -9.665 -0.967 1.00 0.00 C ATOM 445 C LEU A 160 3.359 -9.855 0.405 1.00 0.00 C ATOM 446 O LEU A 160 4.575 -10.009 0.520 1.00 0.00 O ATOM 447 CB LEU A 160 3.077 -8.285 -1.521 1.00 0.00 C ATOM 448 CG LEU A 160 3.567 -7.258 -0.499 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.020 -5.985 -1.197 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.475 -6.952 0.515 1.00 0.00 C ATOM 0 H LEU A 160 0.747 -8.958 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 160 3.111 -10.430 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.849 -8.409 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.198 -7.879 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 160 4.420 -7.681 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.365 -5.266 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.834 -6.217 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.186 -5.559 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.841 -6.220 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.603 -6.550 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.198 -7.867 1.038 1.00 0.00 H new ATOM 462 N HIS A 161 2.530 -9.846 1.444 1.00 0.00 N ATOM 463 CA HIS A 161 3.013 -10.020 2.809 1.00 0.00 C ATOM 464 C HIS A 161 3.854 -11.287 2.930 1.00 0.00 C ATOM 465 O HIS A 161 4.932 -11.275 3.525 1.00 0.00 O ATOM 466 CB HIS A 161 1.837 -10.080 3.785 1.00 0.00 C ATOM 467 CG HIS A 161 1.683 -8.842 4.614 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.623 -8.432 5.535 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.691 -7.922 4.655 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.216 -7.313 6.109 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.046 -6.983 5.592 1.00 0.00 N ATOM 0 H HIS A 161 1.521 -9.720 1.367 1.00 0.00 H new ATOM 0 HA HIS A 161 3.639 -9.164 3.058 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.918 -10.248 3.224 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.968 -10.936 4.446 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.211 -7.926 4.062 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.749 -6.763 6.870 1.00 0.00 H new ATOM 0 HE2 HIS A 161 0.495 -6.163 5.847 1.00 0.00 H new ATOM 479 N THR A 162 3.354 -12.381 2.363 1.00 0.00 N ATOM 480 CA THR A 162 4.058 -13.656 2.409 1.00 0.00 C ATOM 481 C THR A 162 5.371 -13.587 1.638 1.00 0.00 C ATOM 482 O THR A 162 5.445 -12.980 0.571 1.00 0.00 O ATOM 483 CB THR A 162 3.196 -14.795 1.831 1.00 0.00 C ATOM 484 OG1 THR A 162 3.942 -16.017 1.822 1.00 0.00 O ATOM 485 CG2 THR A 162 2.738 -14.464 0.419 1.00 0.00 C ATOM 0 H THR A 162 2.464 -12.409 1.866 1.00 0.00 H new ATOM 0 HA THR A 162 4.266 -13.864 3.458 1.00 0.00 H new ATOM 0 HB THR A 162 2.316 -14.912 2.463 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.387 -16.736 1.455 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.131 -15.283 0.032 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.146 -13.549 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.608 -14.323 -0.222 1.00 0.00 H new