USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 359 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 130 GLN :FLIP amide:sc= -0.142 F(o=-1.8,f=-0.89) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.746 K(o=-0.89,f=-4.4!) USER MOD Set 2.1: A 131 CYS SG : rot -0:sc= -0.123 USER MOD Set 2.2: A 136 CYS SG : rot 144:sc= 0.445 USER MOD Set 2.3: A 163 CYS SG : rot -125:sc= 0.0633 USER MOD Set 2.4: A 166 CYS SG : rot 148:sc= 0.782 USER MOD Set 3.1: A 117 CYS SG : rot -100:sc= -0.1 USER MOD Set 3.2: A 119 CYS SG : rot -140:sc= -0.322 USER MOD Set 3.3: A 125 ASN : amide:sc= -4.06! C(o=-11!,f=-14!) USER MOD Set 3.4: A 128 MET CE :methyl 177:sc= -3.17 (180deg=-3.25) USER MOD Set 3.5: A 141 HIS : no HD1:sc= -2.81 X(o=-11,f=-11) USER MOD Set 3.6: A 144 CYS SG : rot 173:sc= -0.504 USER MOD Single : A 114 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.93) USER MOD Single : A 120 SER OG : rot -45:sc= 0.946 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -1.1 K(o=-1.1,f=-2) USER MOD Single : A 140 GLN : amide:sc= -1.47 K(o=-1.5,f=-3.5!) USER MOD Single : A 143 ASN : amide:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 112 -1.578 11.486 -4.166 1.00 0.00 N ATOM 94 CA GLU A 112 -2.097 10.302 -4.841 1.00 0.00 C ATOM 95 C GLU A 112 -1.066 9.177 -4.833 1.00 0.00 C ATOM 96 O GLU A 112 -1.409 8.006 -4.999 1.00 0.00 O ATOM 97 CB GLU A 112 -2.490 10.639 -6.281 1.00 0.00 C ATOM 98 CG GLU A 112 -3.927 11.111 -6.425 1.00 0.00 C ATOM 99 CD GLU A 112 -4.025 12.572 -6.817 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.656 12.904 -7.964 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.470 13.384 -5.979 1.00 0.00 O ATOM 0 HA GLU A 112 -2.982 9.965 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.822 11.413 -6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.342 9.758 -6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.432 10.503 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.453 10.956 -5.483 1.00 0.00 H new ATOM 108 N ALA A 113 0.197 9.540 -4.640 1.00 0.00 N ATOM 109 CA ALA A 113 1.277 8.562 -4.610 1.00 0.00 C ATOM 110 C ALA A 113 2.008 8.593 -3.272 1.00 0.00 C ATOM 111 O ALA A 113 3.033 9.260 -3.128 1.00 0.00 O ATOM 112 CB ALA A 113 2.251 8.815 -5.751 1.00 0.00 C ATOM 0 H ALA A 113 0.498 10.505 -4.502 1.00 0.00 H new ATOM 0 HA ALA A 113 0.840 7.571 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.052 8.077 -5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.725 8.735 -6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.674 9.815 -5.653 1.00 0.00 H new ATOM 118 N LYS A 114 1.475 7.868 -2.294 1.00 0.00 N ATOM 119 CA LYS A 114 2.076 7.812 -0.967 1.00 0.00 C ATOM 120 C LYS A 114 2.507 6.389 -0.625 1.00 0.00 C ATOM 121 O LYS A 114 1.671 5.514 -0.398 1.00 0.00 O ATOM 122 CB LYS A 114 1.090 8.324 0.085 1.00 0.00 C ATOM 123 CG LYS A 114 1.548 8.090 1.514 1.00 0.00 C ATOM 124 CD LYS A 114 1.069 9.194 2.441 1.00 0.00 C ATOM 125 CE LYS A 114 -0.423 9.081 2.718 1.00 0.00 C ATOM 126 NZ LYS A 114 -0.846 9.959 3.844 1.00 0.00 N ATOM 0 H LYS A 114 0.627 7.311 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 114 2.959 8.451 -0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.932 9.392 -0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.127 7.835 -0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.171 7.130 1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.636 8.035 1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.619 9.146 3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 114 1.285 10.165 1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.980 9.348 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.672 8.046 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.591 9.484 4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.030 10.151 4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.213 10.856 3.466 1.00 0.00 H new ATOM 140 N VAL A 115 3.816 6.164 -0.589 1.00 0.00 N ATOM 141 CA VAL A 115 4.358 4.848 -0.271 1.00 0.00 C ATOM 142 C VAL A 115 4.391 4.616 1.235 1.00 0.00 C ATOM 143 O VAL A 115 5.237 5.168 1.940 1.00 0.00 O ATOM 144 CB VAL A 115 5.779 4.675 -0.838 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.250 3.238 -0.669 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.823 5.090 -2.301 1.00 0.00 C ATOM 0 H VAL A 115 4.522 6.876 -0.776 1.00 0.00 H new ATOM 0 HA VAL A 115 3.698 4.114 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 115 6.455 5.322 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.256 3.135 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.258 2.980 0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.574 2.569 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.835 4.961 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.135 4.470 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.531 6.136 -2.391 1.00 0.00 H new ATOM 156 N ARG A 116 3.467 3.796 1.723 1.00 0.00 N ATOM 157 CA ARG A 116 3.390 3.491 3.146 1.00 0.00 C ATOM 158 C ARG A 116 3.356 1.983 3.378 1.00 0.00 C ATOM 159 O ARG A 116 2.288 1.370 3.387 1.00 0.00 O ATOM 160 CB ARG A 116 2.150 4.141 3.763 1.00 0.00 C ATOM 161 CG ARG A 116 2.387 5.559 4.256 1.00 0.00 C ATOM 162 CD ARG A 116 2.293 5.645 5.771 1.00 0.00 C ATOM 163 NE ARG A 116 2.010 7.004 6.226 1.00 0.00 N ATOM 164 CZ ARG A 116 0.823 7.588 6.104 1.00 0.00 C ATOM 165 NH1 ARG A 116 -0.186 6.934 5.544 1.00 0.00 N ATOM 166 NH2 ARG A 116 0.644 8.827 6.542 1.00 0.00 N ATOM 0 H ARG A 116 2.761 3.330 1.153 1.00 0.00 H new ATOM 0 HA ARG A 116 4.281 3.895 3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.350 4.152 3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.806 3.528 4.596 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.371 5.899 3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.654 6.229 3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.510 4.974 6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.229 5.303 6.212 1.00 0.00 H new ATOM 0 HE ARG A 116 2.765 7.534 6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -0.051 5.981 5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.097 7.384 5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.418 9.332 6.973 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -0.268 9.274 6.448 1.00 0.00 H new ATOM 180 N CYS A 117 4.531 1.392 3.566 1.00 0.00 N ATOM 181 CA CYS A 117 4.636 -0.044 3.797 1.00 0.00 C ATOM 182 C CYS A 117 4.967 -0.337 5.258 1.00 0.00 C ATOM 183 O CYS A 117 5.500 0.517 5.967 1.00 0.00 O ATOM 184 CB CYS A 117 5.708 -0.650 2.889 1.00 0.00 C ATOM 185 SG CYS A 117 5.630 -2.466 2.757 1.00 0.00 S ATOM 0 H CYS A 117 5.424 1.885 3.563 1.00 0.00 H new ATOM 0 HA CYS A 117 3.672 -0.496 3.563 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.611 -0.219 1.892 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.691 -0.365 3.265 1.00 0.00 H new ATOM 0 HG CYS A 117 6.524 -2.997 3.538 1.00 0.00 H new ATOM 190 N ILE A 118 4.646 -1.548 5.700 1.00 0.00 N ATOM 191 CA ILE A 118 4.909 -1.954 7.075 1.00 0.00 C ATOM 192 C ILE A 118 6.396 -1.859 7.400 1.00 0.00 C ATOM 193 O ILE A 118 6.783 -1.762 8.565 1.00 0.00 O ATOM 194 CB ILE A 118 4.428 -3.393 7.339 1.00 0.00 C ATOM 195 CG1 ILE A 118 4.947 -4.336 6.252 1.00 0.00 C ATOM 196 CG2 ILE A 118 2.909 -3.439 7.406 1.00 0.00 C ATOM 197 CD1 ILE A 118 4.832 -5.799 6.616 1.00 0.00 C ATOM 0 H ILE A 118 4.203 -2.265 5.126 1.00 0.00 H new ATOM 0 HA ILE A 118 4.354 -1.271 7.718 1.00 0.00 H new ATOM 0 HB ILE A 118 4.825 -3.723 8.299 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.394 -4.155 5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.992 -4.102 6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.584 -4.462 7.593 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.561 -2.794 8.213 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.492 -3.093 6.460 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.219 -6.409 5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.409 -5.995 7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.786 -6.049 6.792 1.00 0.00 H new ATOM 209 N CYS A 119 7.226 -1.887 6.363 1.00 0.00 N ATOM 210 CA CYS A 119 8.671 -1.803 6.537 1.00 0.00 C ATOM 211 C CYS A 119 9.123 -0.349 6.641 1.00 0.00 C ATOM 212 O CYS A 119 10.300 -0.069 6.867 1.00 0.00 O ATOM 213 CB CYS A 119 9.387 -2.488 5.371 1.00 0.00 C ATOM 214 SG CYS A 119 9.106 -1.693 3.756 1.00 0.00 S ATOM 0 H CYS A 119 6.922 -1.967 5.393 1.00 0.00 H new ATOM 0 HA CYS A 119 8.930 -2.313 7.465 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.458 -2.504 5.575 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.058 -3.526 5.315 1.00 0.00 H new ATOM 0 HG CYS A 119 8.965 -2.606 2.842 1.00 0.00 H new ATOM 219 N SER A 120 8.179 0.572 6.476 1.00 0.00 N ATOM 220 CA SER A 120 8.479 1.997 6.549 1.00 0.00 C ATOM 221 C SER A 120 9.602 2.365 5.583 1.00 0.00 C ATOM 222 O SER A 120 10.451 3.201 5.890 1.00 0.00 O ATOM 223 CB SER A 120 8.871 2.385 7.976 1.00 0.00 C ATOM 224 OG SER A 120 10.242 2.119 8.218 1.00 0.00 O ATOM 0 H SER A 120 7.199 0.357 6.291 1.00 0.00 H new ATOM 0 HA SER A 120 7.582 2.547 6.264 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.669 3.444 8.137 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.259 1.832 8.688 1.00 0.00 H new ATOM 0 HG SER A 120 10.470 1.232 7.869 1.00 0.00 H new ATOM 230 N SER A 121 9.598 1.733 4.413 1.00 0.00 N ATOM 231 CA SER A 121 10.617 1.990 3.403 1.00 0.00 C ATOM 232 C SER A 121 9.978 2.364 2.069 1.00 0.00 C ATOM 233 O SER A 121 9.324 1.541 1.427 1.00 0.00 O ATOM 234 CB SER A 121 11.512 0.762 3.226 1.00 0.00 C ATOM 235 OG SER A 121 12.805 1.132 2.782 1.00 0.00 O ATOM 0 H SER A 121 8.901 1.040 4.142 1.00 0.00 H new ATOM 0 HA SER A 121 11.226 2.828 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.589 0.225 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.059 0.079 2.507 1.00 0.00 H new ATOM 0 HG SER A 121 13.357 0.329 2.679 1.00 0.00 H new ATOM 241 N THR A 122 10.171 3.613 1.656 1.00 0.00 N ATOM 242 CA THR A 122 9.613 4.098 0.400 1.00 0.00 C ATOM 243 C THR A 122 10.421 3.595 -0.791 1.00 0.00 C ATOM 244 O THR A 122 10.057 3.830 -1.943 1.00 0.00 O ATOM 245 CB THR A 122 9.568 5.637 0.363 1.00 0.00 C ATOM 246 OG1 THR A 122 10.886 6.161 0.161 1.00 0.00 O ATOM 247 CG2 THR A 122 8.989 6.194 1.655 1.00 0.00 C ATOM 0 H THR A 122 10.710 4.307 2.174 1.00 0.00 H new ATOM 0 HA THR A 122 8.596 3.711 0.335 1.00 0.00 H new ATOM 0 HB THR A 122 8.926 5.939 -0.464 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.849 7.140 0.137 1.00 0.00 H new ATOM 0 HG21 THR A 122 8.968 7.283 1.605 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.975 5.817 1.792 1.00 0.00 H new ATOM 0 HG23 THR A 122 9.609 5.882 2.496 1.00 0.00 H new ATOM 255 N MET A 123 11.518 2.902 -0.505 1.00 0.00 N ATOM 256 CA MET A 123 12.377 2.364 -1.554 1.00 0.00 C ATOM 257 C MET A 123 11.577 1.494 -2.518 1.00 0.00 C ATOM 258 O MET A 123 10.773 0.661 -2.098 1.00 0.00 O ATOM 259 CB MET A 123 13.518 1.551 -0.942 1.00 0.00 C ATOM 260 CG MET A 123 14.848 2.287 -0.923 1.00 0.00 C ATOM 261 SD MET A 123 16.242 1.195 -0.586 1.00 0.00 S ATOM 262 CE MET A 123 16.878 0.938 -2.241 1.00 0.00 C ATOM 0 H MET A 123 11.833 2.700 0.444 1.00 0.00 H new ATOM 0 HA MET A 123 12.796 3.202 -2.111 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.250 1.276 0.078 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.634 0.623 -1.503 1.00 0.00 H new ATOM 0 HG2 MET A 123 15.001 2.778 -1.884 1.00 0.00 H new ATOM 0 HG3 MET A 123 14.814 3.071 -0.166 1.00 0.00 H new ATOM 0 HE1 MET A 123 17.746 0.280 -2.199 1.00 0.00 H new ATOM 0 HE2 MET A 123 16.106 0.481 -2.860 1.00 0.00 H new ATOM 0 HE3 MET A 123 17.169 1.896 -2.672 1.00 0.00 H new ATOM 272 N VAL A 124 11.801 1.693 -3.813 1.00 0.00 N ATOM 273 CA VAL A 124 11.102 0.926 -4.837 1.00 0.00 C ATOM 274 C VAL A 124 11.484 -0.549 -4.776 1.00 0.00 C ATOM 275 O VAL A 124 12.435 -0.981 -5.427 1.00 0.00 O ATOM 276 CB VAL A 124 11.404 1.466 -6.248 1.00 0.00 C ATOM 277 CG1 VAL A 124 10.510 0.796 -7.279 1.00 0.00 C ATOM 278 CG2 VAL A 124 11.237 2.977 -6.286 1.00 0.00 C ATOM 0 H VAL A 124 12.461 2.379 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 124 10.036 1.030 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 124 12.440 1.231 -6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 124 10.738 1.190 -8.269 1.00 0.00 H new ATOM 0 HG12 VAL A 124 10.685 -0.280 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 124 9.466 0.997 -7.040 1.00 0.00 H new ATOM 0 HG21 VAL A 124 11.454 3.342 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 124 10.213 3.237 -6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 124 11.924 3.437 -5.576 1.00 0.00 H new ATOM 288 N ASN A 125 10.737 -1.316 -3.991 1.00 0.00 N ATOM 289 CA ASN A 125 10.997 -2.744 -3.844 1.00 0.00 C ATOM 290 C ASN A 125 10.874 -3.460 -5.186 1.00 0.00 C ATOM 291 O ASN A 125 10.794 -2.822 -6.236 1.00 0.00 O ATOM 292 CB ASN A 125 10.027 -3.360 -2.834 1.00 0.00 C ATOM 293 CG ASN A 125 8.645 -3.576 -3.418 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.039 -2.655 -3.965 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.139 -4.799 -3.302 1.00 0.00 N ATOM 0 H ASN A 125 9.946 -0.973 -3.446 1.00 0.00 H new ATOM 0 HA ASN A 125 12.017 -2.866 -3.479 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.425 -4.314 -2.487 1.00 0.00 H new ATOM 0 HB3 ASN A 125 9.953 -2.710 -1.962 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.212 -5.005 -3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.678 -5.532 -2.840 1.00 0.00 H new ATOM 302 N ASP A 126 10.859 -4.787 -5.143 1.00 0.00 N ATOM 303 CA ASP A 126 10.743 -5.591 -6.354 1.00 0.00 C ATOM 304 C ASP A 126 9.488 -5.217 -7.136 1.00 0.00 C ATOM 305 O ASP A 126 9.492 -5.203 -8.367 1.00 0.00 O ATOM 306 CB ASP A 126 10.718 -7.079 -6.004 1.00 0.00 C ATOM 307 CG ASP A 126 12.024 -7.554 -5.399 1.00 0.00 C ATOM 308 OD1 ASP A 126 13.088 -7.052 -5.816 1.00 0.00 O ATOM 309 OD2 ASP A 126 11.982 -8.429 -4.508 1.00 0.00 O ATOM 0 H ASP A 126 10.926 -5.330 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 126 11.612 -5.389 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 126 9.905 -7.271 -5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.506 -7.657 -6.903 1.00 0.00 H new ATOM 314 N SER A 127 8.414 -4.917 -6.413 1.00 0.00 N ATOM 315 CA SER A 127 7.149 -4.549 -7.039 1.00 0.00 C ATOM 316 C SER A 127 6.221 -3.875 -6.033 1.00 0.00 C ATOM 317 O SER A 127 5.974 -4.404 -4.949 1.00 0.00 O ATOM 318 CB SER A 127 6.468 -5.786 -7.629 1.00 0.00 C ATOM 319 OG SER A 127 5.879 -5.493 -8.884 1.00 0.00 O ATOM 0 H SER A 127 8.394 -4.921 -5.393 1.00 0.00 H new ATOM 0 HA SER A 127 7.361 -3.843 -7.842 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.198 -6.587 -7.744 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.704 -6.148 -6.941 1.00 0.00 H new ATOM 0 HG SER A 127 5.452 -6.299 -9.241 1.00 0.00 H new ATOM 325 N MET A 128 5.710 -2.705 -6.400 1.00 0.00 N ATOM 326 CA MET A 128 4.808 -1.958 -5.531 1.00 0.00 C ATOM 327 C MET A 128 3.361 -2.116 -5.985 1.00 0.00 C ATOM 328 O MET A 128 3.095 -2.597 -7.087 1.00 0.00 O ATOM 329 CB MET A 128 5.191 -0.477 -5.514 1.00 0.00 C ATOM 330 CG MET A 128 6.320 -0.152 -4.550 1.00 0.00 C ATOM 331 SD MET A 128 6.730 1.604 -4.527 1.00 0.00 S ATOM 332 CE MET A 128 7.819 1.678 -3.107 1.00 0.00 C ATOM 0 H MET A 128 5.905 -2.253 -7.293 1.00 0.00 H new ATOM 0 HA MET A 128 4.900 -2.361 -4.522 1.00 0.00 H new ATOM 0 HB2 MET A 128 5.484 -0.175 -6.519 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.315 0.113 -5.246 1.00 0.00 H new ATOM 0 HG2 MET A 128 6.038 -0.468 -3.546 1.00 0.00 H new ATOM 0 HG3 MET A 128 7.205 -0.724 -4.827 1.00 0.00 H new ATOM 0 HE1 MET A 128 8.200 2.693 -2.993 1.00 0.00 H new ATOM 0 HE2 MET A 128 7.268 1.395 -2.210 1.00 0.00 H new ATOM 0 HE3 MET A 128 8.653 0.991 -3.252 1.00 0.00 H new ATOM 342 N ILE A 129 2.429 -1.709 -5.129 1.00 0.00 N ATOM 343 CA ILE A 129 1.009 -1.806 -5.444 1.00 0.00 C ATOM 344 C ILE A 129 0.216 -0.705 -4.748 1.00 0.00 C ATOM 345 O ILE A 129 0.336 -0.510 -3.539 1.00 0.00 O ATOM 346 CB ILE A 129 0.433 -3.174 -5.036 1.00 0.00 C ATOM 347 CG1 ILE A 129 -1.076 -3.212 -5.284 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.742 -3.464 -3.574 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.681 -4.588 -5.120 1.00 0.00 C ATOM 0 H ILE A 129 2.632 -1.309 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 129 0.917 -1.691 -6.524 1.00 0.00 H new ATOM 0 HB ILE A 129 0.902 -3.945 -5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.567 -2.524 -4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.279 -2.853 -6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.328 -4.435 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.822 -3.475 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.297 -2.691 -2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.753 -4.539 -5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.217 -5.276 -5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.509 -4.942 -4.104 1.00 0.00 H new ATOM 361 N GLN A 130 -0.596 0.011 -5.521 1.00 0.00 N ATOM 362 CA GLN A 130 -1.410 1.092 -4.977 1.00 0.00 C ATOM 363 C GLN A 130 -2.703 0.550 -4.376 1.00 0.00 C ATOM 364 O GLN A 130 -3.328 -0.353 -4.933 1.00 0.00 O ATOM 365 CB GLN A 130 -1.730 2.115 -6.069 1.00 0.00 C ATOM 366 CG GLN A 130 -2.775 3.138 -5.655 1.00 0.00 C ATOM 367 CD GLN A 130 -2.548 4.495 -6.292 1.00 0.00 C ATOM 368 OE1 GLN A 130 -2.514 5.537 -5.471 1.00 0.00 O flip ATOM 369 NE2 GLN A 130 -2.404 4.605 -7.510 1.00 0.00 N flip ATOM 0 H GLN A 130 -0.707 -0.138 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.841 1.581 -4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.814 2.636 -6.347 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -2.080 1.589 -6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.764 2.773 -5.930 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.765 3.244 -4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.437 3.777 -8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.251 5.524 -7.925 1.00 0.00 H new ATOM 378 N CYS A 131 -3.098 1.107 -3.237 1.00 0.00 N ATOM 379 CA CYS A 131 -4.316 0.680 -2.559 1.00 0.00 C ATOM 380 C CYS A 131 -5.520 0.773 -3.493 1.00 0.00 C ATOM 381 O CYS A 131 -5.546 1.596 -4.406 1.00 0.00 O ATOM 382 CB CYS A 131 -4.557 1.534 -1.312 1.00 0.00 C ATOM 383 SG CYS A 131 -5.956 0.976 -0.288 1.00 0.00 S ATOM 0 H CYS A 131 -2.592 1.856 -2.764 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.190 -0.361 -2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.652 1.533 -0.704 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.734 2.565 -1.619 1.00 0.00 H new ATOM 0 HG CYS A 131 -6.503 -0.070 -0.833 1.00 0.00 H new ATOM 388 N GLU A 132 -6.513 -0.078 -3.255 1.00 0.00 N ATOM 389 CA GLU A 132 -7.718 -0.093 -4.075 1.00 0.00 C ATOM 390 C GLU A 132 -8.765 0.869 -3.520 1.00 0.00 C ATOM 391 O GLU A 132 -9.950 0.764 -3.837 1.00 0.00 O ATOM 392 CB GLU A 132 -8.297 -1.508 -4.147 1.00 0.00 C ATOM 393 CG GLU A 132 -8.154 -2.155 -5.514 1.00 0.00 C ATOM 394 CD GLU A 132 -9.227 -1.706 -6.487 1.00 0.00 C ATOM 395 OE1 GLU A 132 -10.285 -1.229 -6.025 1.00 0.00 O ATOM 396 OE2 GLU A 132 -9.009 -1.831 -7.710 1.00 0.00 O ATOM 0 H GLU A 132 -6.507 -0.765 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.447 0.231 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.800 -2.133 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.353 -1.473 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.173 -1.915 -5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.198 -3.239 -5.405 1.00 0.00 H new ATOM 403 N ASP A 133 -8.319 1.805 -2.690 1.00 0.00 N ATOM 404 CA ASP A 133 -9.216 2.786 -2.091 1.00 0.00 C ATOM 405 C ASP A 133 -8.866 4.197 -2.554 1.00 0.00 C ATOM 406 O ASP A 133 -7.817 4.734 -2.200 1.00 0.00 O ATOM 407 CB ASP A 133 -9.149 2.706 -0.565 1.00 0.00 C ATOM 408 CG ASP A 133 -10.264 3.482 0.106 1.00 0.00 C ATOM 409 OD1 ASP A 133 -11.324 3.664 -0.528 1.00 0.00 O ATOM 410 OD2 ASP A 133 -10.077 3.909 1.265 1.00 0.00 O ATOM 0 H ASP A 133 -7.341 1.905 -2.417 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.231 2.558 -2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.201 1.662 -0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.187 3.091 -0.226 1.00 0.00 H new ATOM 415 N GLN A 134 -9.752 4.790 -3.348 1.00 0.00 N ATOM 416 CA GLN A 134 -9.535 6.138 -3.861 1.00 0.00 C ATOM 417 C GLN A 134 -9.378 7.137 -2.719 1.00 0.00 C ATOM 418 O GLN A 134 -8.798 8.209 -2.894 1.00 0.00 O ATOM 419 CB GLN A 134 -10.696 6.556 -4.764 1.00 0.00 C ATOM 420 CG GLN A 134 -10.654 8.020 -5.172 1.00 0.00 C ATOM 421 CD GLN A 134 -11.440 8.911 -4.231 1.00 0.00 C ATOM 422 OE1 GLN A 134 -12.626 8.685 -3.988 1.00 0.00 O ATOM 423 NE2 GLN A 134 -10.781 9.932 -3.693 1.00 0.00 N ATOM 0 H GLN A 134 -10.626 4.359 -3.650 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.614 6.133 -4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.688 5.937 -5.661 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.636 6.358 -4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -9.617 8.355 -5.202 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -11.052 8.123 -6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -9.798 10.082 -3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -11.258 10.565 -3.051 1.00 0.00 H new ATOM 432 N ARG A 135 -9.898 6.777 -1.550 1.00 0.00 N ATOM 433 CA ARG A 135 -9.818 7.643 -0.379 1.00 0.00 C ATOM 434 C ARG A 135 -8.543 7.368 0.413 1.00 0.00 C ATOM 435 O ARG A 135 -8.377 7.855 1.532 1.00 0.00 O ATOM 436 CB ARG A 135 -11.041 7.440 0.516 1.00 0.00 C ATOM 437 CG ARG A 135 -12.360 7.461 -0.240 1.00 0.00 C ATOM 438 CD ARG A 135 -13.478 8.049 0.607 1.00 0.00 C ATOM 439 NE ARG A 135 -14.789 7.853 -0.006 1.00 0.00 N ATOM 440 CZ ARG A 135 -15.220 8.542 -1.056 1.00 0.00 C ATOM 441 NH1 ARG A 135 -14.447 9.468 -1.608 1.00 0.00 N ATOM 442 NH2 ARG A 135 -16.426 8.306 -1.557 1.00 0.00 N ATOM 0 H ARG A 135 -10.379 5.892 -1.388 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.796 8.677 -0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -10.946 6.487 1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.056 8.219 1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.248 8.045 -1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.624 6.447 -0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -13.467 7.587 1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.301 9.115 0.752 1.00 0.00 H new ATOM 0 HE ARG A 135 -15.408 7.148 0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -13.519 9.652 -1.226 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -14.780 9.996 -2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -17.023 7.595 -1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -16.756 8.836 -2.364 1.00 0.00 H new ATOM 456 N CYS A 136 -7.645 6.585 -0.175 1.00 0.00 N ATOM 457 CA CYS A 136 -6.385 6.244 0.475 1.00 0.00 C ATOM 458 C CYS A 136 -5.202 6.535 -0.444 1.00 0.00 C ATOM 459 O CYS A 136 -4.327 7.334 -0.111 1.00 0.00 O ATOM 460 CB CYS A 136 -6.379 4.768 0.880 1.00 0.00 C ATOM 461 SG CYS A 136 -5.476 4.425 2.425 1.00 0.00 S ATOM 0 H CYS A 136 -7.766 6.174 -1.101 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.288 6.860 1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.409 4.428 0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.935 4.183 0.075 1.00 0.00 H new ATOM 0 HG CYS A 136 -6.080 3.478 3.080 1.00 0.00 H new ATOM 466 N GLN A 137 -5.184 5.881 -1.601 1.00 0.00 N ATOM 467 CA GLN A 137 -4.109 6.070 -2.568 1.00 0.00 C ATOM 468 C GLN A 137 -2.746 5.875 -1.911 1.00 0.00 C ATOM 469 O GLN A 137 -1.900 6.769 -1.936 1.00 0.00 O ATOM 470 CB GLN A 137 -4.194 7.464 -3.191 1.00 0.00 C ATOM 471 CG GLN A 137 -5.482 7.710 -3.959 1.00 0.00 C ATOM 472 CD GLN A 137 -5.313 7.527 -5.455 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.159 8.497 -6.197 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.340 6.278 -5.906 1.00 0.00 N ATOM 0 H GLN A 137 -5.901 5.216 -1.891 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.224 5.322 -3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.103 8.211 -2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.348 7.605 -3.863 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.252 7.028 -3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.833 8.722 -3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.470 5.503 -5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.231 6.093 -6.903 1.00 0.00 H new ATOM 483 N VAL A 138 -2.541 4.701 -1.323 1.00 0.00 N ATOM 484 CA VAL A 138 -1.280 4.388 -0.660 1.00 0.00 C ATOM 485 C VAL A 138 -0.605 3.182 -1.304 1.00 0.00 C ATOM 486 O VAL A 138 -1.191 2.103 -1.389 1.00 0.00 O ATOM 487 CB VAL A 138 -1.490 4.106 0.839 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.770 5.398 1.592 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.619 3.106 1.040 1.00 0.00 C ATOM 0 H VAL A 138 -3.231 3.951 -1.292 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.638 5.262 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.575 3.671 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.916 5.178 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.926 6.077 1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.670 5.865 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.754 2.918 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.542 3.510 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.372 2.172 0.536 1.00 0.00 H new ATOM 499 N TRP A 139 0.629 3.373 -1.754 1.00 0.00 N ATOM 500 CA TRP A 139 1.385 2.299 -2.390 1.00 0.00 C ATOM 501 C TRP A 139 2.112 1.455 -1.349 1.00 0.00 C ATOM 502 O TRP A 139 2.535 1.963 -0.311 1.00 0.00 O ATOM 503 CB TRP A 139 2.390 2.877 -3.387 1.00 0.00 C ATOM 504 CG TRP A 139 1.745 3.615 -4.521 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.868 4.658 -4.427 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.924 3.363 -5.919 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.492 5.070 -5.683 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.126 4.293 -6.615 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.681 2.445 -6.651 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.065 4.327 -8.006 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.620 2.480 -8.031 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.817 3.416 -8.697 1.00 0.00 C ATOM 0 H TRP A 139 1.128 4.260 -1.691 1.00 0.00 H new ATOM 0 HA TRP A 139 0.682 1.659 -2.923 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.065 3.552 -2.861 1.00 0.00 H new ATOM 0 HB3 TRP A 139 2.998 2.067 -3.789 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.521 5.095 -3.502 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.155 5.832 -5.888 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.303 1.720 -6.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.446 5.047 -8.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.201 1.774 -8.606 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.791 3.418 -9.777 1.00 0.00 H new ATOM 523 N GLN A 140 2.252 0.164 -1.634 1.00 0.00 N ATOM 524 CA GLN A 140 2.928 -0.750 -0.721 1.00 0.00 C ATOM 525 C GLN A 140 3.734 -1.791 -1.490 1.00 0.00 C ATOM 526 O GLN A 140 3.553 -1.965 -2.696 1.00 0.00 O ATOM 527 CB GLN A 140 1.909 -1.445 0.185 1.00 0.00 C ATOM 528 CG GLN A 140 1.224 -0.504 1.163 1.00 0.00 C ATOM 529 CD GLN A 140 0.830 -1.191 2.455 1.00 0.00 C ATOM 530 OE1 GLN A 140 1.051 -2.391 2.626 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.242 -0.434 3.374 1.00 0.00 N ATOM 0 H GLN A 140 1.907 -0.272 -2.489 1.00 0.00 H new ATOM 0 HA GLN A 140 3.614 -0.168 -0.106 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.152 -1.925 -0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.411 -2.234 0.744 1.00 0.00 H new ATOM 0 HG2 GLN A 140 1.891 0.329 1.387 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.335 -0.083 0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.078 0.556 3.191 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.046 -0.842 4.263 1.00 0.00 H new ATOM 540 N HIS A 141 4.626 -2.481 -0.786 1.00 0.00 N ATOM 541 CA HIS A 141 5.461 -3.505 -1.403 1.00 0.00 C ATOM 542 C HIS A 141 4.693 -4.815 -1.552 1.00 0.00 C ATOM 543 O HIS A 141 4.293 -5.429 -0.562 1.00 0.00 O ATOM 544 CB HIS A 141 6.724 -3.733 -0.572 1.00 0.00 C ATOM 545 CG HIS A 141 7.602 -2.523 -0.472 1.00 0.00 C ATOM 546 ND1 HIS A 141 8.444 -2.290 0.594 1.00 0.00 N ATOM 547 CD2 HIS A 141 7.767 -1.477 -1.316 1.00 0.00 C ATOM 548 CE1 HIS A 141 9.087 -1.152 0.404 1.00 0.00 C ATOM 549 NE2 HIS A 141 8.695 -0.639 -0.748 1.00 0.00 N ATOM 0 H HIS A 141 4.789 -2.349 0.212 1.00 0.00 H new ATOM 0 HA HIS A 141 5.746 -3.156 -2.395 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.437 -4.047 0.431 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.295 -4.551 -1.011 1.00 0.00 H new ATOM 0 HD2 HIS A 141 7.263 -1.329 -2.260 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.810 -0.715 1.077 1.00 0.00 H new ATOM 0 HE2 HIS A 141 9.027 0.237 -1.151 1.00 0.00 H new ATOM 557 N LEU A 142 4.489 -5.237 -2.795 1.00 0.00 N ATOM 558 CA LEU A 142 3.768 -6.474 -3.074 1.00 0.00 C ATOM 559 C LEU A 142 4.396 -7.650 -2.333 1.00 0.00 C ATOM 560 O LEU A 142 3.696 -8.459 -1.726 1.00 0.00 O ATOM 561 CB LEU A 142 3.756 -6.752 -4.578 1.00 0.00 C ATOM 562 CG LEU A 142 2.481 -6.358 -5.324 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.617 -6.656 -6.809 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.276 -7.083 -4.741 1.00 0.00 C ATOM 0 H LEU A 142 4.813 -4.741 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 142 2.743 -6.354 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.596 -6.225 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.928 -7.817 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 142 2.329 -5.286 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.700 -6.369 -7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.455 -6.091 -7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.794 -7.722 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.377 -6.790 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.420 -8.160 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.166 -6.819 -3.689 1.00 0.00 H new ATOM 576 N ASN A 143 5.721 -7.735 -2.385 1.00 0.00 N ATOM 577 CA ASN A 143 6.445 -8.811 -1.717 1.00 0.00 C ATOM 578 C ASN A 143 6.195 -8.782 -0.212 1.00 0.00 C ATOM 579 O ASN A 143 6.355 -9.791 0.475 1.00 0.00 O ATOM 580 CB ASN A 143 7.944 -8.698 -1.999 1.00 0.00 C ATOM 581 CG ASN A 143 8.354 -9.447 -3.253 1.00 0.00 C ATOM 582 OD1 ASN A 143 9.172 -10.366 -3.201 1.00 0.00 O ATOM 583 ND2 ASN A 143 7.787 -9.055 -4.388 1.00 0.00 N ATOM 0 H ASN A 143 6.315 -7.072 -2.883 1.00 0.00 H new ATOM 0 HA ASN A 143 6.079 -9.760 -2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.213 -7.647 -2.102 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.502 -9.088 -1.147 1.00 0.00 H new ATOM 0 HD21 ASN A 143 8.024 -9.520 -5.264 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.114 -8.289 -4.384 1.00 0.00 H new ATOM 590 N CYS A 144 5.803 -7.617 0.294 1.00 0.00 N ATOM 591 CA CYS A 144 5.532 -7.454 1.718 1.00 0.00 C ATOM 592 C CYS A 144 4.078 -7.792 2.036 1.00 0.00 C ATOM 593 O CYS A 144 3.767 -8.285 3.120 1.00 0.00 O ATOM 594 CB CYS A 144 5.842 -6.022 2.157 1.00 0.00 C ATOM 595 SG CYS A 144 7.621 -5.660 2.310 1.00 0.00 S ATOM 0 H CYS A 144 5.666 -6.772 -0.261 1.00 0.00 H new ATOM 0 HA CYS A 144 6.176 -8.142 2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.402 -5.330 1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.360 -5.835 3.117 1.00 0.00 H new ATOM 0 HG CYS A 144 7.788 -4.390 2.534 1.00 0.00 H new ATOM 600 N VAL A 145 3.191 -7.522 1.083 1.00 0.00 N ATOM 601 CA VAL A 145 1.770 -7.798 1.260 1.00 0.00 C ATOM 602 C VAL A 145 1.370 -9.090 0.558 1.00 0.00 C ATOM 603 O VAL A 145 0.184 -9.372 0.381 1.00 0.00 O ATOM 604 CB VAL A 145 0.903 -6.644 0.722 1.00 0.00 C ATOM 605 CG1 VAL A 145 1.229 -5.348 1.449 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.097 -6.487 -0.778 1.00 0.00 C ATOM 0 H VAL A 145 3.432 -7.112 0.180 1.00 0.00 H new ATOM 0 HA VAL A 145 1.599 -7.902 2.331 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.144 -6.882 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.607 -4.544 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 145 1.034 -5.470 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.280 -5.101 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.477 -5.667 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.144 -6.271 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 145 0.809 -7.410 -1.281 1.00 0.00 H new ATOM 616 N LEU A 146 2.366 -9.874 0.159 1.00 0.00 N ATOM 617 CA LEU A 146 2.118 -11.138 -0.524 1.00 0.00 C ATOM 618 C LEU A 146 2.128 -12.302 0.462 1.00 0.00 C ATOM 619 O LEU A 146 3.190 -12.773 0.870 1.00 0.00 O ATOM 620 CB LEU A 146 3.169 -11.368 -1.611 1.00 0.00 C ATOM 621 CG LEU A 146 2.691 -11.197 -3.054 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.754 -10.501 -3.889 1.00 0.00 C ATOM 623 CD2 LEU A 146 2.333 -12.547 -3.660 1.00 0.00 C ATOM 0 H LEU A 146 3.353 -9.656 0.297 1.00 0.00 H new ATOM 0 HA LEU A 146 1.132 -11.085 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 146 3.997 -10.680 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.565 -12.377 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 146 1.797 -10.574 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.396 -10.388 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 146 3.962 -9.518 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.666 -11.097 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.995 -12.407 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 146 3.210 -13.194 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 146 1.537 -13.008 -3.076 1.00 0.00 H new ATOM 759 N GLU A 156 0.706 -15.262 -2.989 1.00 0.00 N ATOM 760 CA GLU A 156 -0.363 -14.960 -3.933 1.00 0.00 C ATOM 761 C GLU A 156 -0.585 -13.454 -4.038 1.00 0.00 C ATOM 762 O GLU A 156 -0.800 -12.775 -3.034 1.00 0.00 O ATOM 763 CB GLU A 156 -1.660 -15.649 -3.506 1.00 0.00 C ATOM 764 CG GLU A 156 -2.865 -15.249 -4.341 1.00 0.00 C ATOM 765 CD GLU A 156 -4.081 -16.112 -4.062 1.00 0.00 C ATOM 766 OE1 GLU A 156 -4.448 -16.254 -2.877 1.00 0.00 O ATOM 767 OE2 GLU A 156 -4.664 -16.644 -5.029 1.00 0.00 O ATOM 0 HA GLU A 156 -0.066 -15.336 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.526 -16.729 -3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -1.859 -15.414 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -3.111 -14.206 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -2.609 -15.319 -5.398 1.00 0.00 H new ATOM 774 N VAL A 157 -0.531 -12.937 -5.262 1.00 0.00 N ATOM 775 CA VAL A 157 -0.727 -11.512 -5.500 1.00 0.00 C ATOM 776 C VAL A 157 -2.097 -11.240 -6.111 1.00 0.00 C ATOM 777 O VAL A 157 -2.285 -11.303 -7.326 1.00 0.00 O ATOM 778 CB VAL A 157 0.361 -10.944 -6.431 1.00 0.00 C ATOM 779 CG1 VAL A 157 0.465 -11.776 -7.701 1.00 0.00 C ATOM 780 CG2 VAL A 157 0.072 -9.487 -6.760 1.00 0.00 C ATOM 0 H VAL A 157 -0.353 -13.484 -6.104 1.00 0.00 H new ATOM 0 HA VAL A 157 -0.660 -11.017 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 157 1.319 -10.993 -5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 157 1.239 -11.360 -8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 157 0.722 -12.803 -7.443 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.491 -11.762 -8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 157 0.850 -9.101 -7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -0.895 -9.411 -7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 157 0.053 -8.903 -5.840 1.00 0.00 H new ATOM 790 N PRO A 158 -3.078 -10.930 -5.251 1.00 0.00 N ATOM 791 CA PRO A 158 -4.448 -10.641 -5.684 1.00 0.00 C ATOM 792 C PRO A 158 -4.553 -9.317 -6.432 1.00 0.00 C ATOM 793 O PRO A 158 -3.691 -8.444 -6.322 1.00 0.00 O ATOM 794 CB PRO A 158 -5.229 -10.575 -4.369 1.00 0.00 C ATOM 795 CG PRO A 158 -4.213 -10.204 -3.343 1.00 0.00 C ATOM 796 CD PRO A 158 -2.924 -10.838 -3.789 1.00 0.00 C ATOM 0 HA PRO A 158 -4.822 -11.391 -6.381 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.028 -9.836 -4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.695 -11.533 -4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.110 -9.121 -3.269 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.505 -10.565 -2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.061 -10.232 -3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.781 -11.820 -3.337 1.00 0.00 H new ATOM 804 N PRO A 159 -5.632 -9.160 -7.212 1.00 0.00 N ATOM 805 CA PRO A 159 -5.875 -7.944 -7.993 1.00 0.00 C ATOM 806 C PRO A 159 -6.218 -6.748 -7.112 1.00 0.00 C ATOM 807 O PRO A 159 -5.704 -5.647 -7.315 1.00 0.00 O ATOM 808 CB PRO A 159 -7.071 -8.320 -8.873 1.00 0.00 C ATOM 809 CG PRO A 159 -7.772 -9.396 -8.118 1.00 0.00 C ATOM 810 CD PRO A 159 -6.700 -10.159 -7.391 1.00 0.00 C ATOM 0 HA PRO A 159 -4.993 -7.639 -8.556 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -7.724 -7.464 -9.041 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -6.747 -8.670 -9.853 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -8.494 -8.975 -7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -8.326 -10.049 -8.793 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.057 -10.541 -6.435 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -6.355 -11.017 -7.969 1.00 0.00 H new ATOM 818 N VAL A 160 -7.088 -6.970 -6.132 1.00 0.00 N ATOM 819 CA VAL A 160 -7.498 -5.910 -5.219 1.00 0.00 C ATOM 820 C VAL A 160 -6.701 -5.966 -3.920 1.00 0.00 C ATOM 821 O VAL A 160 -6.677 -6.991 -3.237 1.00 0.00 O ATOM 822 CB VAL A 160 -9.000 -6.001 -4.891 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.357 -7.397 -4.403 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.384 -4.952 -3.859 1.00 0.00 C ATOM 0 H VAL A 160 -7.523 -7.875 -5.950 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.301 -4.964 -5.723 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.566 -5.805 -5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.422 -7.442 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.120 -8.125 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -8.785 -7.626 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.449 -5.031 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -8.812 -5.114 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -9.167 -3.959 -4.252 1.00 0.00 H new ATOM 834 N PHE A 161 -6.050 -4.858 -3.583 1.00 0.00 N ATOM 835 CA PHE A 161 -5.252 -4.780 -2.366 1.00 0.00 C ATOM 836 C PHE A 161 -5.677 -3.589 -1.511 1.00 0.00 C ATOM 837 O PHE A 161 -6.001 -2.522 -2.032 1.00 0.00 O ATOM 838 CB PHE A 161 -3.765 -4.669 -2.711 1.00 0.00 C ATOM 839 CG PHE A 161 -2.930 -4.113 -1.594 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.461 -4.938 -0.585 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.613 -2.765 -1.553 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.692 -4.429 0.445 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.845 -2.249 -0.526 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.383 -3.083 0.474 1.00 0.00 C ATOM 0 H PHE A 161 -6.060 -4.001 -4.136 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.418 -5.693 -1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.388 -5.656 -2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.651 -4.034 -3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.699 -5.991 -0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.970 -2.109 -2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.333 -5.083 1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.607 -1.196 -0.505 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.781 -2.683 1.277 1.00 0.00 H new ATOM 854 N TYR A 162 -5.674 -3.781 -0.197 1.00 0.00 N ATOM 855 CA TYR A 162 -6.062 -2.725 0.731 1.00 0.00 C ATOM 856 C TYR A 162 -5.071 -2.623 1.886 1.00 0.00 C ATOM 857 O TYR A 162 -4.819 -3.601 2.592 1.00 0.00 O ATOM 858 CB TYR A 162 -7.469 -2.985 1.272 1.00 0.00 C ATOM 859 CG TYR A 162 -8.562 -2.755 0.253 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.804 -1.487 -0.261 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.353 -3.806 -0.195 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.802 -1.273 -1.192 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.352 -3.601 -1.127 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.573 -2.333 -1.622 1.00 0.00 C ATOM 865 OH TYR A 162 -11.568 -2.124 -2.549 1.00 0.00 O ATOM 0 H TYR A 162 -5.407 -4.658 0.250 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.057 -1.780 0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.527 -4.013 1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.644 -2.338 2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.202 -0.655 0.073 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.184 -4.800 0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.978 -0.281 -1.581 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -10.957 -4.429 -1.466 1.00 0.00 H new ATOM 0 HH TYR A 162 -12.016 -2.973 -2.745 1.00 0.00 H new ATOM 875 N CYS A 163 -4.511 -1.433 2.074 1.00 0.00 N ATOM 876 CA CYS A 163 -3.548 -1.200 3.143 1.00 0.00 C ATOM 877 C CYS A 163 -4.151 -1.540 4.502 1.00 0.00 C ATOM 878 O CYS A 163 -5.279 -2.023 4.588 1.00 0.00 O ATOM 879 CB CYS A 163 -3.081 0.257 3.129 1.00 0.00 C ATOM 880 SG CYS A 163 -4.277 1.427 3.851 1.00 0.00 S ATOM 0 H CYS A 163 -4.708 -0.614 1.499 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.690 -1.851 2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.141 0.331 3.675 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.876 0.552 2.100 1.00 0.00 H new ATOM 0 HG CYS A 163 -4.533 2.370 2.994 1.00 0.00 H new ATOM 885 N GLU A 164 -3.390 -1.284 5.562 1.00 0.00 N ATOM 886 CA GLU A 164 -3.850 -1.563 6.917 1.00 0.00 C ATOM 887 C GLU A 164 -5.084 -0.731 7.256 1.00 0.00 C ATOM 888 O GLU A 164 -6.071 -1.249 7.779 1.00 0.00 O ATOM 889 CB GLU A 164 -2.736 -1.277 7.927 1.00 0.00 C ATOM 890 CG GLU A 164 -2.159 0.123 7.815 1.00 0.00 C ATOM 891 CD GLU A 164 -0.670 0.165 8.104 1.00 0.00 C ATOM 892 OE1 GLU A 164 -0.296 0.117 9.294 1.00 0.00 O ATOM 893 OE2 GLU A 164 0.119 0.247 7.140 1.00 0.00 O ATOM 0 H GLU A 164 -2.453 -0.884 5.508 1.00 0.00 H new ATOM 0 HA GLU A 164 -4.118 -2.618 6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.125 -1.421 8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -1.935 -2.003 7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -2.342 0.508 6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.679 0.783 8.509 1.00 0.00 H new ATOM 900 N LEU A 165 -5.020 0.561 6.953 1.00 0.00 N ATOM 901 CA LEU A 165 -6.131 1.466 7.225 1.00 0.00 C ATOM 902 C LEU A 165 -7.435 0.912 6.660 1.00 0.00 C ATOM 903 O LEU A 165 -8.406 0.712 7.391 1.00 0.00 O ATOM 904 CB LEU A 165 -5.848 2.846 6.629 1.00 0.00 C ATOM 905 CG LEU A 165 -4.447 3.408 6.873 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.340 4.826 6.333 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.110 3.374 8.356 1.00 0.00 C ATOM 0 H LEU A 165 -4.211 1.005 6.519 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.236 1.559 8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.015 2.796 5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.576 3.550 7.033 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.728 2.783 6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.336 5.210 6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.538 4.823 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.069 5.462 6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.109 3.778 8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -4.833 3.975 8.907 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.146 2.345 8.714 1.00 0.00 H new ATOM 919 N CYS A 166 -7.451 0.666 5.354 1.00 0.00 N ATOM 920 CA CYS A 166 -8.634 0.134 4.690 1.00 0.00 C ATOM 921 C CYS A 166 -8.921 -1.293 5.150 1.00 0.00 C ATOM 922 O CYS A 166 -10.073 -1.725 5.185 1.00 0.00 O ATOM 923 CB CYS A 166 -8.450 0.164 3.172 1.00 0.00 C ATOM 924 SG CYS A 166 -8.051 1.812 2.504 1.00 0.00 S ATOM 0 H CYS A 166 -6.657 0.827 4.735 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.483 0.762 4.959 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.654 -0.529 2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.363 -0.197 2.699 1.00 0.00 H new ATOM 0 HG CYS A 166 -7.279 1.684 1.466 1.00 0.00 H new ATOM 929 N ARG A 167 -7.865 -2.019 5.502 1.00 0.00 N ATOM 930 CA ARG A 167 -8.003 -3.396 5.959 1.00 0.00 C ATOM 931 C ARG A 167 -8.826 -3.464 7.242 1.00 0.00 C ATOM 932 O ARG A 167 -9.800 -4.213 7.329 1.00 0.00 O ATOM 933 CB ARG A 167 -6.625 -4.019 6.192 1.00 0.00 C ATOM 934 CG ARG A 167 -6.092 -4.784 4.991 1.00 0.00 C ATOM 935 CD ARG A 167 -5.961 -6.269 5.289 1.00 0.00 C ATOM 936 NE ARG A 167 -4.624 -6.615 5.765 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.261 -7.847 6.104 1.00 0.00 C ATOM 938 NH1 ARG A 167 -5.131 -8.845 6.021 1.00 0.00 N ATOM 939 NH2 ARG A 167 -3.026 -8.083 6.528 1.00 0.00 N ATOM 0 H ARG A 167 -6.905 -1.676 5.479 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.523 -3.959 5.184 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -5.919 -3.231 6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.680 -4.693 7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -6.759 -4.640 4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.120 -4.382 4.705 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -6.698 -6.555 6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -6.185 -6.841 4.388 1.00 0.00 H new ATOM 0 HE ARG A 167 -3.931 -5.870 5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -6.081 -8.667 5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -4.849 -9.790 6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.354 -7.318 6.594 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.748 -9.029 6.788 1.00 0.00 H new