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 35:sc= 0.497 USER MOD Set 1.2: A 144 CYS SG : rot -46:sc= 0.417 USER MOD Set 1.3: A 157 HIS : no HD1:sc= -0.783 K(o=-0.9,f=-5.8!) USER MOD Set 1.4: A 161 HIS : no HD1:sc= -1.03 K(o=-0.9,f=-2.8) USER MOD Set 2.1: A 137 LYS NZ :NH3+ -114:sc= 0.827 (180deg=0) USER MOD Set 2.2: A 147 SER OG : rot 180:sc= 0.555 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.68 USER MOD Single : A 140 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.1) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ -152:sc= -0.149 (180deg=-0.568) USER MOD Single : A 149 SER OG : rot 180:sc=-0.00257 USER MOD Single : A 150 GLN : amide:sc= -0.864 X(o=-0.86,f=-0.85!) USER MOD Single : A 153 SER OG : rot 50:sc= -0.538 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 136 -9.834 8.192 8.732 1.00 0.00 N ATOM 67 CA GLU A 136 -9.636 6.751 8.628 1.00 0.00 C ATOM 68 C GLU A 136 -9.950 6.258 7.218 1.00 0.00 C ATOM 69 O GLU A 136 -10.580 6.962 6.428 1.00 0.00 O ATOM 70 CB GLU A 136 -10.515 6.018 9.644 1.00 0.00 C ATOM 71 CG GLU A 136 -9.806 5.711 10.952 1.00 0.00 C ATOM 72 CD GLU A 136 -9.121 4.358 10.941 1.00 0.00 C ATOM 73 OE1 GLU A 136 -8.218 4.157 10.101 1.00 0.00 O ATOM 74 OE2 GLU A 136 -9.488 3.500 11.770 1.00 0.00 O ATOM 0 HA GLU A 136 -8.589 6.538 8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.397 6.623 9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.865 5.085 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -9.067 6.487 11.151 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -10.528 5.742 11.768 1.00 0.00 H new ATOM 81 N LYS A 137 -9.507 5.045 6.909 1.00 0.00 N ATOM 82 CA LYS A 137 -9.740 4.456 5.595 1.00 0.00 C ATOM 83 C LYS A 137 -10.727 3.296 5.687 1.00 0.00 C ATOM 84 O LYS A 137 -10.893 2.672 6.735 1.00 0.00 O ATOM 85 CB LYS A 137 -8.421 3.971 4.989 1.00 0.00 C ATOM 86 CG LYS A 137 -7.502 5.098 4.552 1.00 0.00 C ATOM 87 CD LYS A 137 -6.453 4.612 3.567 1.00 0.00 C ATOM 88 CE LYS A 137 -5.469 5.715 3.211 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.344 5.791 4.184 1.00 0.00 N ATOM 0 H LYS A 137 -8.984 4.449 7.551 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.167 5.224 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.901 3.352 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.637 3.336 4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.091 5.893 4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.011 5.528 5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.914 3.767 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.942 4.253 2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.073 5.539 2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.990 6.672 3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -4.394 6.691 4.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.412 5.000 4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -3.439 5.735 3.674 1.00 0.00 H new ATOM 103 N PRO A 138 -11.397 2.998 4.564 1.00 0.00 N ATOM 104 CA PRO A 138 -12.377 1.910 4.492 1.00 0.00 C ATOM 105 C PRO A 138 -11.724 0.535 4.583 1.00 0.00 C ATOM 106 O PRO A 138 -12.402 -0.472 4.788 1.00 0.00 O ATOM 107 CB PRO A 138 -13.023 2.105 3.118 1.00 0.00 C ATOM 108 CG PRO A 138 -11.992 2.818 2.312 1.00 0.00 C ATOM 109 CD PRO A 138 -11.250 3.700 3.278 1.00 0.00 C ATOM 0 HA PRO A 138 -13.085 1.944 5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.288 1.149 2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.941 2.688 3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.316 2.112 1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.454 3.408 1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.202 3.810 2.998 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.677 4.702 3.316 1.00 0.00 H new ATOM 117 N TYR A 139 -10.405 0.501 4.431 1.00 0.00 N ATOM 118 CA TYR A 139 -9.661 -0.752 4.495 1.00 0.00 C ATOM 119 C TYR A 139 -8.463 -0.626 5.431 1.00 0.00 C ATOM 120 O TYR A 139 -7.868 0.444 5.555 1.00 0.00 O ATOM 121 CB TYR A 139 -9.190 -1.162 3.099 1.00 0.00 C ATOM 122 CG TYR A 139 -10.293 -1.163 2.064 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.255 -2.166 2.048 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.373 -0.163 1.103 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.264 -2.171 1.104 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.379 -0.160 0.157 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.322 -1.166 0.161 1.00 0.00 C ATOM 128 OH TYR A 139 -13.326 -1.168 -0.780 1.00 0.00 O ATOM 0 H TYR A 139 -9.829 1.326 4.263 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.327 -1.521 4.887 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.401 -0.482 2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.751 -2.158 3.151 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.213 -2.954 2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.635 0.626 1.096 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.004 -2.958 1.104 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.427 0.626 -0.582 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.224 -0.391 -1.369 1.00 0.00 H new ATOM 138 N GLN A 140 -8.115 -1.729 6.087 1.00 0.00 N ATOM 139 CA GLN A 140 -6.988 -1.743 7.012 1.00 0.00 C ATOM 140 C GLN A 140 -6.381 -3.139 7.110 1.00 0.00 C ATOM 141 O GLN A 140 -7.087 -4.120 7.345 1.00 0.00 O ATOM 142 CB GLN A 140 -7.432 -1.270 8.397 1.00 0.00 C ATOM 143 CG GLN A 140 -6.337 -1.353 9.449 1.00 0.00 C ATOM 144 CD GLN A 140 -6.723 -2.226 10.626 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.485 -3.182 10.481 1.00 0.00 O ATOM 146 NE2 GLN A 140 -6.198 -1.901 11.802 1.00 0.00 N ATOM 0 H GLN A 140 -8.597 -2.623 5.995 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.228 -1.062 6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.778 -0.239 8.326 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.282 -1.870 8.721 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.429 -1.746 8.992 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -6.105 -0.350 9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -5.571 -1.100 11.877 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.422 -2.452 12.630 1.00 0.00 H new ATOM 155 N CYS A 141 -5.067 -3.222 6.926 1.00 0.00 N ATOM 156 CA CYS A 141 -4.364 -4.497 6.992 1.00 0.00 C ATOM 157 C CYS A 141 -4.364 -5.045 8.417 1.00 0.00 C ATOM 158 O CYS A 141 -4.171 -4.303 9.380 1.00 0.00 O ATOM 159 CB CYS A 141 -2.926 -4.337 6.496 1.00 0.00 C ATOM 160 SG CYS A 141 -2.059 -5.913 6.207 1.00 0.00 S ATOM 0 H CYS A 141 -4.468 -2.420 6.730 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.886 -5.205 6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.935 -3.764 5.569 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.364 -3.754 7.226 1.00 0.00 H new ATOM 0 HG CYS A 141 -2.902 -6.796 5.760 1.00 0.00 H new ATOM 165 N LYS A 142 -4.582 -6.350 8.543 1.00 0.00 N ATOM 166 CA LYS A 142 -4.606 -7.000 9.848 1.00 0.00 C ATOM 167 C LYS A 142 -3.326 -7.794 10.083 1.00 0.00 C ATOM 168 O LYS A 142 -3.320 -8.771 10.832 1.00 0.00 O ATOM 169 CB LYS A 142 -5.821 -7.924 9.958 1.00 0.00 C ATOM 170 CG LYS A 142 -5.790 -9.087 8.981 1.00 0.00 C ATOM 171 CD LYS A 142 -6.658 -8.815 7.763 1.00 0.00 C ATOM 172 CE LYS A 142 -6.526 -9.920 6.727 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.840 -10.268 6.117 1.00 0.00 N ATOM 0 H LYS A 142 -4.745 -6.979 7.756 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.677 -6.225 10.611 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.879 -8.315 10.974 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.727 -7.342 9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.763 -9.270 8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.135 -9.992 9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.700 -8.725 8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.374 -7.862 7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -5.835 -9.604 5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -6.096 -10.806 7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.708 -11.025 5.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -8.492 -10.593 6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.239 -9.429 5.649 1.00 0.00 H new ATOM 187 N GLU A 143 -2.243 -7.368 9.441 1.00 0.00 N ATOM 188 CA GLU A 143 -0.957 -8.040 9.582 1.00 0.00 C ATOM 189 C GLU A 143 0.105 -7.080 10.111 1.00 0.00 C ATOM 190 O GLU A 143 0.995 -7.473 10.864 1.00 0.00 O ATOM 191 CB GLU A 143 -0.510 -8.623 8.240 1.00 0.00 C ATOM 192 CG GLU A 143 -1.608 -9.378 7.509 1.00 0.00 C ATOM 193 CD GLU A 143 -2.224 -10.475 8.354 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.593 -10.882 9.352 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.339 -10.927 8.018 1.00 0.00 O ATOM 0 H GLU A 143 -2.231 -6.560 8.818 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.078 -8.851 10.300 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.151 -7.814 7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.332 -9.295 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.386 -8.677 7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.199 -9.813 6.597 1.00 0.00 H new ATOM 202 N CYS A 144 0.003 -5.817 9.709 1.00 0.00 N ATOM 203 CA CYS A 144 0.954 -4.799 10.140 1.00 0.00 C ATOM 204 C CYS A 144 0.228 -3.576 10.692 1.00 0.00 C ATOM 205 O CYS A 144 0.674 -2.959 11.659 1.00 0.00 O ATOM 206 CB CYS A 144 1.855 -4.387 8.974 1.00 0.00 C ATOM 207 SG CYS A 144 0.950 -3.823 7.497 1.00 0.00 S ATOM 0 H CYS A 144 -0.728 -5.474 9.086 1.00 0.00 H new ATOM 0 HA CYS A 144 1.569 -5.224 10.933 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.519 -3.589 9.307 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.485 -5.233 8.700 1.00 0.00 H new ATOM 0 HG CYS A 144 -0.025 -4.645 7.245 1.00 0.00 H new ATOM 212 N GLY A 145 -0.896 -3.230 10.070 1.00 0.00 N ATOM 213 CA GLY A 145 -1.666 -2.083 10.513 1.00 0.00 C ATOM 214 C GLY A 145 -1.798 -1.023 9.438 1.00 0.00 C ATOM 215 O GLY A 145 -2.114 0.131 9.728 1.00 0.00 O ATOM 0 H GLY A 145 -1.286 -3.724 9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.659 -2.412 10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.190 -1.648 11.392 1.00 0.00 H new ATOM 219 N LYS A 146 -1.555 -1.414 8.191 1.00 0.00 N ATOM 220 CA LYS A 146 -1.648 -0.489 7.067 1.00 0.00 C ATOM 221 C LYS A 146 -3.104 -0.163 6.750 1.00 0.00 C ATOM 222 O LYS A 146 -4.021 -0.717 7.356 1.00 0.00 O ATOM 223 CB LYS A 146 -0.967 -1.085 5.833 1.00 0.00 C ATOM 224 CG LYS A 146 0.307 -0.362 5.433 1.00 0.00 C ATOM 225 CD LYS A 146 0.383 -0.157 3.929 1.00 0.00 C ATOM 226 CE LYS A 146 0.986 1.195 3.580 1.00 0.00 C ATOM 227 NZ LYS A 146 0.133 2.321 4.052 1.00 0.00 N ATOM 0 H LYS A 146 -1.292 -2.365 7.933 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.140 0.434 7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.735 -2.132 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.665 -1.063 4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.351 0.604 5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.172 -0.935 5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.983 -0.950 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.616 -0.233 3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.976 1.277 4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 146 1.117 1.266 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 0.277 3.147 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.867 2.036 4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 0.392 2.567 5.029 1.00 0.00 H new ATOM 241 N SER A 147 -3.309 0.738 5.795 1.00 0.00 N ATOM 242 CA SER A 147 -4.653 1.140 5.398 1.00 0.00 C ATOM 243 C SER A 147 -4.674 1.611 3.947 1.00 0.00 C ATOM 244 O SER A 147 -3.800 2.362 3.514 1.00 0.00 O ATOM 245 CB SER A 147 -5.168 2.251 6.315 1.00 0.00 C ATOM 246 OG SER A 147 -4.565 3.494 5.997 1.00 0.00 O ATOM 0 H SER A 147 -2.561 1.204 5.281 1.00 0.00 H new ATOM 0 HA SER A 147 -5.306 0.272 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.251 2.333 6.220 1.00 0.00 H new ATOM 0 HB3 SER A 147 -4.958 1.996 7.354 1.00 0.00 H new ATOM 0 HG SER A 147 -4.912 4.188 6.596 1.00 0.00 H new ATOM 252 N PHE A 148 -5.679 1.164 3.201 1.00 0.00 N ATOM 253 CA PHE A 148 -5.815 1.538 1.798 1.00 0.00 C ATOM 254 C PHE A 148 -7.214 2.074 1.511 1.00 0.00 C ATOM 255 O PHE A 148 -8.137 1.888 2.305 1.00 0.00 O ATOM 256 CB PHE A 148 -5.521 0.337 0.897 1.00 0.00 C ATOM 257 CG PHE A 148 -4.116 -0.179 1.024 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.759 -1.003 2.079 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.153 0.161 0.088 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.467 -1.480 2.198 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.859 -0.313 0.202 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.516 -1.133 1.259 1.00 0.00 C ATOM 0 H PHE A 148 -6.411 0.542 3.545 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.093 2.327 1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.217 -0.466 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.704 0.618 -0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.499 -1.276 2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.416 0.803 -0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.202 -2.123 3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.117 -0.042 -0.535 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.505 -1.502 1.351 1.00 0.00 H new ATOM 272 N SER A 149 -7.364 2.741 0.371 1.00 0.00 N ATOM 273 CA SER A 149 -8.649 3.308 -0.020 1.00 0.00 C ATOM 274 C SER A 149 -9.238 2.552 -1.207 1.00 0.00 C ATOM 275 O SER A 149 -10.086 3.075 -1.929 1.00 0.00 O ATOM 276 CB SER A 149 -8.491 4.789 -0.371 1.00 0.00 C ATOM 277 OG SER A 149 -8.120 4.954 -1.729 1.00 0.00 O ATOM 0 H SER A 149 -6.611 2.902 -0.298 1.00 0.00 H new ATOM 0 HA SER A 149 -9.332 3.213 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.427 5.313 -0.180 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.736 5.240 0.273 1.00 0.00 H new ATOM 0 HG SER A 149 -8.027 5.909 -1.929 1.00 0.00 H new ATOM 283 N GLN A 150 -8.782 1.319 -1.400 1.00 0.00 N ATOM 284 CA GLN A 150 -9.262 0.491 -2.500 1.00 0.00 C ATOM 285 C GLN A 150 -9.215 -0.988 -2.129 1.00 0.00 C ATOM 286 O GLN A 150 -8.176 -1.500 -1.712 1.00 0.00 O ATOM 287 CB GLN A 150 -8.427 0.740 -3.757 1.00 0.00 C ATOM 288 CG GLN A 150 -8.627 2.123 -4.355 1.00 0.00 C ATOM 289 CD GLN A 150 -10.004 2.302 -4.965 1.00 0.00 C ATOM 290 OE1 GLN A 150 -11.007 2.363 -4.253 1.00 0.00 O ATOM 291 NE2 GLN A 150 -10.059 2.387 -6.289 1.00 0.00 N ATOM 0 H GLN A 150 -8.081 0.871 -0.809 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.298 0.764 -2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.373 0.607 -3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.680 -0.011 -4.506 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.477 2.875 -3.580 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.870 2.297 -5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -9.202 2.331 -6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -10.958 2.508 -6.755 1.00 0.00 H new ATOM 300 N ARG A 151 -10.346 -1.668 -2.283 1.00 0.00 N ATOM 301 CA ARG A 151 -10.433 -3.088 -1.962 1.00 0.00 C ATOM 302 C ARG A 151 -9.332 -3.873 -2.668 1.00 0.00 C ATOM 303 O ARG A 151 -8.757 -4.802 -2.102 1.00 0.00 O ATOM 304 CB ARG A 151 -11.804 -3.639 -2.361 1.00 0.00 C ATOM 305 CG ARG A 151 -12.049 -5.062 -1.886 1.00 0.00 C ATOM 306 CD ARG A 151 -13.108 -5.110 -0.796 1.00 0.00 C ATOM 307 NE ARG A 151 -13.657 -6.452 -0.625 1.00 0.00 N ATOM 308 CZ ARG A 151 -13.003 -7.444 -0.033 1.00 0.00 C ATOM 309 NH1 ARG A 151 -11.782 -7.246 0.444 1.00 0.00 N ATOM 310 NH2 ARG A 151 -13.570 -8.638 0.085 1.00 0.00 N ATOM 0 H ARG A 151 -11.215 -1.259 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.303 -3.201 -0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.580 -2.990 -1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -11.898 -3.606 -3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.363 -5.679 -2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.118 -5.487 -1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -12.674 -4.773 0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -13.913 -4.418 -1.042 1.00 0.00 H new ATOM 0 HE ARG A 151 -14.595 -6.638 -0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -11.343 -6.330 0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -11.282 -8.010 0.898 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -14.510 -8.795 -0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -13.066 -9.399 0.540 1.00 0.00 H new ATOM 324 N GLY A 152 -9.044 -3.494 -3.909 1.00 0.00 N ATOM 325 CA GLY A 152 -8.013 -4.173 -4.672 1.00 0.00 C ATOM 326 C GLY A 152 -6.617 -3.840 -4.186 1.00 0.00 C ATOM 327 O GLY A 152 -5.753 -4.714 -4.113 1.00 0.00 O ATOM 0 H GLY A 152 -9.506 -2.729 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.169 -5.250 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.103 -3.899 -5.723 1.00 0.00 H new ATOM 331 N SER A 153 -6.394 -2.573 -3.852 1.00 0.00 N ATOM 332 CA SER A 153 -5.091 -2.125 -3.375 1.00 0.00 C ATOM 333 C SER A 153 -4.679 -2.892 -2.122 1.00 0.00 C ATOM 334 O SER A 153 -3.576 -3.436 -2.048 1.00 0.00 O ATOM 335 CB SER A 153 -5.120 -0.624 -3.082 1.00 0.00 C ATOM 336 OG SER A 153 -5.247 0.127 -4.277 1.00 0.00 O ATOM 0 H SER A 153 -7.099 -1.838 -3.903 1.00 0.00 H new ATOM 0 HA SER A 153 -4.358 -2.321 -4.157 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.952 -0.396 -2.416 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.207 -0.334 -2.562 1.00 0.00 H new ATOM 0 HG SER A 153 -5.988 -0.229 -4.810 1.00 0.00 H new ATOM 342 N LEU A 154 -5.572 -2.931 -1.140 1.00 0.00 N ATOM 343 CA LEU A 154 -5.302 -3.631 0.111 1.00 0.00 C ATOM 344 C LEU A 154 -4.884 -5.074 -0.151 1.00 0.00 C ATOM 345 O LEU A 154 -3.881 -5.547 0.383 1.00 0.00 O ATOM 346 CB LEU A 154 -6.539 -3.603 1.011 1.00 0.00 C ATOM 347 CG LEU A 154 -6.566 -4.626 2.147 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.429 -4.370 3.124 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.907 -4.589 2.866 1.00 0.00 C ATOM 0 H LEU A 154 -6.489 -2.487 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.481 -3.120 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.626 -2.607 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.420 -3.758 0.388 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.433 -5.619 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.465 -5.108 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.476 -4.448 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.531 -3.370 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.908 -5.323 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.070 -3.595 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.705 -4.822 2.161 1.00 0.00 H new ATOM 361 N ALA A 155 -5.658 -5.768 -0.979 1.00 0.00 N ATOM 362 CA ALA A 155 -5.365 -7.156 -1.316 1.00 0.00 C ATOM 363 C ALA A 155 -3.919 -7.316 -1.773 1.00 0.00 C ATOM 364 O ALA A 155 -3.201 -8.195 -1.296 1.00 0.00 O ATOM 365 CB ALA A 155 -6.319 -7.650 -2.393 1.00 0.00 C ATOM 0 H ALA A 155 -6.493 -5.392 -1.429 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.504 -7.759 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.089 -8.688 -2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.345 -7.581 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.208 -7.036 -3.287 1.00 0.00 H new ATOM 371 N VAL A 156 -3.498 -6.462 -2.701 1.00 0.00 N ATOM 372 CA VAL A 156 -2.138 -6.510 -3.222 1.00 0.00 C ATOM 373 C VAL A 156 -1.114 -6.412 -2.097 1.00 0.00 C ATOM 374 O VAL A 156 -0.004 -6.934 -2.206 1.00 0.00 O ATOM 375 CB VAL A 156 -1.884 -5.374 -4.232 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.518 -5.534 -4.883 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.984 -5.340 -5.282 1.00 0.00 C ATOM 0 H VAL A 156 -4.080 -5.729 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.027 -7.469 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.895 -4.425 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.356 -4.723 -5.593 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.256 -5.505 -4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.474 -6.489 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.789 -4.532 -5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -3.007 -6.290 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.946 -5.174 -4.796 1.00 0.00 H new ATOM 387 N HIS A 157 -1.495 -5.741 -1.014 1.00 0.00 N ATOM 388 CA HIS A 157 -0.610 -5.576 0.134 1.00 0.00 C ATOM 389 C HIS A 157 -0.801 -6.712 1.135 1.00 0.00 C ATOM 390 O HIS A 157 0.042 -6.934 2.003 1.00 0.00 O ATOM 391 CB HIS A 157 -0.868 -4.232 0.814 1.00 0.00 C ATOM 392 CG HIS A 157 -0.163 -4.080 2.127 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.075 -3.485 2.251 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.529 -4.447 3.377 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.441 -3.495 3.520 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.484 -4.073 4.225 1.00 0.00 N ATOM 0 H HIS A 157 -2.410 -5.303 -0.908 1.00 0.00 H new ATOM 0 HA HIS A 157 0.419 -5.601 -0.225 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.553 -3.430 0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.940 -4.113 0.971 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.447 -4.942 3.656 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.365 -3.098 3.914 1.00 0.00 H new ATOM 0 HE2 HIS A 157 0.496 -4.218 5.235 1.00 0.00 H new ATOM 404 N GLU A 158 -1.915 -7.426 1.007 1.00 0.00 N ATOM 405 CA GLU A 158 -2.217 -8.537 1.902 1.00 0.00 C ATOM 406 C GLU A 158 -1.696 -9.853 1.330 1.00 0.00 C ATOM 407 O GLU A 158 -1.633 -10.864 2.030 1.00 0.00 O ATOM 408 CB GLU A 158 -3.725 -8.634 2.140 1.00 0.00 C ATOM 409 CG GLU A 158 -4.328 -7.376 2.744 1.00 0.00 C ATOM 410 CD GLU A 158 -5.253 -7.673 3.908 1.00 0.00 C ATOM 411 OE1 GLU A 158 -6.410 -8.072 3.659 1.00 0.00 O ATOM 412 OE2 GLU A 158 -4.820 -7.507 5.067 1.00 0.00 O ATOM 0 H GLU A 158 -2.623 -7.255 0.293 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.718 -8.350 2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.221 -8.846 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.927 -9.477 2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.526 -6.719 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.880 -6.837 1.974 1.00 0.00 H new ATOM 419 N ARG A 159 -1.324 -9.831 0.055 1.00 0.00 N ATOM 420 CA ARG A 159 -0.811 -11.022 -0.612 1.00 0.00 C ATOM 421 C ARG A 159 0.714 -10.999 -0.666 1.00 0.00 C ATOM 422 O ARG A 159 1.367 -12.031 -0.506 1.00 0.00 O ATOM 423 CB ARG A 159 -1.380 -11.126 -2.028 1.00 0.00 C ATOM 424 CG ARG A 159 -1.025 -9.944 -2.915 1.00 0.00 C ATOM 425 CD ARG A 159 0.145 -10.267 -3.831 1.00 0.00 C ATOM 426 NE ARG A 159 -0.150 -11.385 -4.723 1.00 0.00 N ATOM 427 CZ ARG A 159 -0.901 -11.277 -5.813 1.00 0.00 C ATOM 428 NH1 ARG A 159 -1.430 -10.107 -6.145 1.00 0.00 N ATOM 429 NH2 ARG A 159 -1.124 -12.340 -6.575 1.00 0.00 N ATOM 0 H ARG A 159 -1.368 -9.002 -0.537 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.125 -11.893 -0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -1.012 -12.041 -2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.465 -11.212 -1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.891 -9.664 -3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.776 -9.084 -2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.395 -9.387 -4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.022 -10.505 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 159 0.242 -12.299 -4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -1.260 -9.287 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -2.006 -10.027 -6.983 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.718 -13.242 -6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -1.701 -12.256 -7.412 1.00 0.00 H new ATOM 443 N LEU A 160 1.276 -9.817 -0.893 1.00 0.00 N ATOM 444 CA LEU A 160 2.724 -9.660 -0.969 1.00 0.00 C ATOM 445 C LEU A 160 3.365 -9.850 0.402 1.00 0.00 C ATOM 446 O LEU A 160 4.581 -10.003 0.514 1.00 0.00 O ATOM 447 CB LEU A 160 3.078 -8.278 -1.523 1.00 0.00 C ATOM 448 CG LEU A 160 3.569 -7.251 -0.502 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.019 -5.978 -1.201 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.478 -6.947 0.514 1.00 0.00 C ATOM 0 H LEU A 160 0.751 -8.953 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 160 3.113 -10.425 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.848 -8.400 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.198 -7.872 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 160 4.424 -7.672 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.365 -5.258 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.832 -6.209 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.183 -5.553 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.844 -6.214 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.604 -6.546 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.203 -7.863 1.037 1.00 0.00 H new ATOM 462 N HIS A 161 2.538 -9.840 1.443 1.00 0.00 N ATOM 463 CA HIS A 161 3.024 -10.015 2.807 1.00 0.00 C ATOM 464 C HIS A 161 3.868 -11.280 2.925 1.00 0.00 C ATOM 465 O HIS A 161 4.807 -11.341 3.720 1.00 0.00 O ATOM 466 CB HIS A 161 1.850 -10.077 3.785 1.00 0.00 C ATOM 467 CG HIS A 161 1.696 -8.840 4.615 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.636 -8.430 5.537 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.703 -7.920 4.657 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.227 -7.313 6.111 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.058 -6.982 5.595 1.00 0.00 N ATOM 0 H HIS A 161 1.529 -9.713 1.368 1.00 0.00 H new ATOM 0 HA HIS A 161 3.650 -9.158 3.056 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.930 -10.246 3.225 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.983 -10.934 4.446 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.199 -7.923 4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.759 -6.763 6.873 1.00 0.00 H new ATOM 0 HE2 HIS A 161 0.508 -6.162 5.851 1.00 0.00 H new ATOM 479 N THR A 162 3.526 -12.290 2.131 1.00 0.00 N ATOM 480 CA THR A 162 4.251 -13.555 2.148 1.00 0.00 C ATOM 481 C THR A 162 5.451 -13.513 1.209 1.00 0.00 C ATOM 482 O THR A 162 5.499 -12.706 0.282 1.00 0.00 O ATOM 483 CB THR A 162 3.339 -14.730 1.747 1.00 0.00 C ATOM 484 OG1 THR A 162 4.097 -15.944 1.701 1.00 0.00 O ATOM 485 CG2 THR A 162 2.695 -14.476 0.392 1.00 0.00 C ATOM 0 H THR A 162 2.752 -12.257 1.468 1.00 0.00 H new ATOM 0 HA THR A 162 4.598 -13.707 3.170 1.00 0.00 H new ATOM 0 HB THR A 162 2.551 -14.822 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.510 -16.687 1.447 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.056 -15.319 0.129 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.096 -13.567 0.439 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.472 -14.360 -0.364 1.00 0.00 H new