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 117 CYS SG : rot -85:sc= 0.436 USER MOD Set 1.2: A 119 CYS SG : rot -79:sc= -0.243 USER MOD Set 1.3: A 125 ASN : amide:sc= -4.52! C(o=-6.6!,f=-9.5!) USER MOD Set 1.4: A 141 HIS :FLIP no HE2:sc= -1.81 F(o=-8.5,f=-6.6) USER MOD Set 1.5: A 144 CYS SG : rot 175:sc= -0.448 USER MOD Set 2.1: A 130 GLN :FLIP amide:sc= -0.581 F(o=-2.2,f=-1.1) USER MOD Set 2.2: A 137 GLN : amide:sc= -0.527 K(o=-1.1,f=-4.1!) USER MOD Set 3.1: A 131 CYS SG : rot -170:sc= -0.287 USER MOD Set 3.2: A 136 CYS SG : rot 147:sc= 0.772 USER MOD Set 3.3: A 163 CYS SG : rot -125:sc= -0.135 USER MOD Set 3.4: A 166 CYS SG : rot -92:sc= 0.759 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -58:sc= 0.933 USER MOD Single : A 121 SER OG : rot 180:sc= -0.628 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 128 MET CE :methyl 157:sc= -0.454 (180deg=-1.67!) USER MOD Single : A 134 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.0033) USER MOD Single : A 140 GLN : amide:sc= -0.94 K(o=-0.94,f=-4!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 112 -1.221 11.809 -4.121 1.00 0.00 N ATOM 94 CA GLU A 112 -1.889 10.641 -4.684 1.00 0.00 C ATOM 95 C GLU A 112 -0.976 9.419 -4.639 1.00 0.00 C ATOM 96 O GLU A 112 -1.437 8.283 -4.748 1.00 0.00 O ATOM 97 CB GLU A 112 -2.319 10.917 -6.126 1.00 0.00 C ATOM 98 CG GLU A 112 -3.763 11.370 -6.254 1.00 0.00 C ATOM 99 CD GLU A 112 -3.888 12.862 -6.492 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.887 13.624 -5.502 1.00 0.00 O ATOM 101 OE2 GLU A 112 -3.987 13.269 -7.669 1.00 0.00 O ATOM 0 HA GLU A 112 -2.774 10.435 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.668 11.682 -6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.177 10.013 -6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.236 10.834 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.305 11.104 -5.346 1.00 0.00 H new ATOM 108 N ALA A 113 0.321 9.662 -4.478 1.00 0.00 N ATOM 109 CA ALA A 113 1.298 8.582 -4.417 1.00 0.00 C ATOM 110 C ALA A 113 2.036 8.584 -3.082 1.00 0.00 C ATOM 111 O ALA A 113 3.123 9.149 -2.963 1.00 0.00 O ATOM 112 CB ALA A 113 2.285 8.698 -5.568 1.00 0.00 C ATOM 0 H ALA A 113 0.719 10.597 -4.388 1.00 0.00 H new ATOM 0 HA ALA A 113 0.763 7.636 -4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.009 7.885 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.748 8.639 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.806 9.653 -5.505 1.00 0.00 H new ATOM 118 N LYS A 114 1.438 7.950 -2.080 1.00 0.00 N ATOM 119 CA LYS A 114 2.038 7.877 -0.753 1.00 0.00 C ATOM 120 C LYS A 114 2.422 6.442 -0.407 1.00 0.00 C ATOM 121 O LYS A 114 1.560 5.609 -0.126 1.00 0.00 O ATOM 122 CB LYS A 114 1.070 8.425 0.298 1.00 0.00 C ATOM 123 CG LYS A 114 1.513 8.165 1.727 1.00 0.00 C ATOM 124 CD LYS A 114 0.495 8.683 2.730 1.00 0.00 C ATOM 125 CE LYS A 114 1.171 9.347 3.919 1.00 0.00 C ATOM 126 NZ LYS A 114 0.252 10.278 4.631 1.00 0.00 N ATOM 0 H LYS A 114 0.537 7.479 -2.161 1.00 0.00 H new ATOM 0 HA LYS A 114 2.943 8.485 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.957 9.499 0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.088 7.978 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.659 7.095 1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.476 8.645 1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.168 9.397 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.127 7.858 3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.521 8.582 4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.050 9.894 3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.750 10.710 5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.062 11.023 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.575 9.751 4.979 1.00 0.00 H new ATOM 140 N VAL A 115 3.721 6.160 -0.427 1.00 0.00 N ATOM 141 CA VAL A 115 4.219 4.826 -0.112 1.00 0.00 C ATOM 142 C VAL A 115 4.317 4.618 1.394 1.00 0.00 C ATOM 143 O VAL A 115 5.201 5.169 2.051 1.00 0.00 O ATOM 144 CB VAL A 115 5.601 4.580 -0.745 1.00 0.00 C ATOM 145 CG1 VAL A 115 5.998 3.118 -0.608 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.602 5.006 -2.206 1.00 0.00 C ATOM 0 H VAL A 115 4.448 6.838 -0.658 1.00 0.00 H new ATOM 0 HA VAL A 115 3.505 4.115 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 115 6.337 5.184 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.977 2.963 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.040 2.850 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.262 2.492 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.587 4.825 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.855 4.431 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.365 6.068 -2.276 1.00 0.00 H new ATOM 156 N ARG A 116 3.405 3.817 1.936 1.00 0.00 N ATOM 157 CA ARG A 116 3.389 3.536 3.367 1.00 0.00 C ATOM 158 C ARG A 116 3.404 2.032 3.625 1.00 0.00 C ATOM 159 O ARG A 116 2.354 1.392 3.689 1.00 0.00 O ATOM 160 CB ARG A 116 2.155 4.164 4.017 1.00 0.00 C ATOM 161 CG ARG A 116 2.411 5.542 4.605 1.00 0.00 C ATOM 162 CD ARG A 116 2.468 5.498 6.124 1.00 0.00 C ATOM 163 NE ARG A 116 2.062 6.766 6.724 1.00 0.00 N ATOM 164 CZ ARG A 116 0.796 7.152 6.841 1.00 0.00 C ATOM 165 NH1 ARG A 116 -0.182 6.371 6.402 1.00 0.00 N ATOM 166 NH2 ARG A 116 0.506 8.320 7.398 1.00 0.00 N ATOM 0 H ARG A 116 2.668 3.351 1.406 1.00 0.00 H new ATOM 0 HA ARG A 116 4.285 3.972 3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.361 4.237 3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.794 3.503 4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.350 5.936 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.623 6.226 4.289 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.820 4.701 6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.482 5.255 6.442 1.00 0.00 H new ATOM 0 HE ARG A 116 2.790 7.390 7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 116 0.037 5.472 5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.153 6.670 6.493 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.255 8.923 7.737 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -0.466 8.615 7.487 1.00 0.00 H new ATOM 180 N CYS A 117 4.601 1.474 3.773 1.00 0.00 N ATOM 181 CA CYS A 117 4.754 0.046 4.023 1.00 0.00 C ATOM 182 C CYS A 117 5.219 -0.208 5.454 1.00 0.00 C ATOM 183 O CYS A 117 5.795 0.671 6.096 1.00 0.00 O ATOM 184 CB CYS A 117 5.751 -0.562 3.035 1.00 0.00 C ATOM 185 SG CYS A 117 5.690 -2.380 2.942 1.00 0.00 S ATOM 0 H CYS A 117 5.480 1.990 3.724 1.00 0.00 H new ATOM 0 HA CYS A 117 3.782 -0.428 3.886 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.560 -0.151 2.043 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.758 -0.257 3.318 1.00 0.00 H new ATOM 0 HG CYS A 117 6.434 -2.888 3.880 1.00 0.00 H new ATOM 190 N ILE A 118 4.965 -1.416 5.947 1.00 0.00 N ATOM 191 CA ILE A 118 5.359 -1.786 7.300 1.00 0.00 C ATOM 192 C ILE A 118 6.867 -1.655 7.490 1.00 0.00 C ATOM 193 O ILE A 118 7.352 -1.507 8.612 1.00 0.00 O ATOM 194 CB ILE A 118 4.935 -3.229 7.635 1.00 0.00 C ATOM 195 CG1 ILE A 118 5.441 -4.195 6.562 1.00 0.00 C ATOM 196 CG2 ILE A 118 3.422 -3.319 7.766 1.00 0.00 C ATOM 197 CD1 ILE A 118 5.311 -5.651 6.950 1.00 0.00 C ATOM 0 H ILE A 118 4.488 -2.154 5.429 1.00 0.00 H new ATOM 0 HA ILE A 118 4.849 -1.099 7.975 1.00 0.00 H new ATOM 0 HB ILE A 118 5.380 -3.511 8.589 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.887 -4.023 5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.488 -3.976 6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 118 3.138 -4.344 8.003 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.086 -2.656 8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.957 -3.021 6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.689 -6.278 6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.888 -5.839 7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.263 -5.887 7.132 1.00 0.00 H new ATOM 209 N CYS A 119 7.603 -1.708 6.385 1.00 0.00 N ATOM 210 CA CYS A 119 9.056 -1.593 6.428 1.00 0.00 C ATOM 211 C CYS A 119 9.485 -0.130 6.472 1.00 0.00 C ATOM 212 O CYS A 119 10.673 0.177 6.566 1.00 0.00 O ATOM 213 CB CYS A 119 9.679 -2.282 5.212 1.00 0.00 C ATOM 214 SG CYS A 119 9.209 -1.541 3.616 1.00 0.00 S ATOM 0 H CYS A 119 7.217 -1.830 5.449 1.00 0.00 H new ATOM 0 HA CYS A 119 9.408 -2.084 7.336 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.764 -2.253 5.308 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.386 -3.332 5.213 1.00 0.00 H new ATOM 0 HG CYS A 119 8.020 -1.946 3.283 1.00 0.00 H new ATOM 219 N SER A 120 8.509 0.770 6.404 1.00 0.00 N ATOM 220 CA SER A 120 8.785 2.201 6.432 1.00 0.00 C ATOM 221 C SER A 120 9.809 2.578 5.366 1.00 0.00 C ATOM 222 O SER A 120 10.673 3.425 5.591 1.00 0.00 O ATOM 223 CB SER A 120 9.294 2.616 7.814 1.00 0.00 C ATOM 224 OG SER A 120 10.682 2.358 7.944 1.00 0.00 O ATOM 0 H SER A 120 7.520 0.533 6.329 1.00 0.00 H new ATOM 0 HA SER A 120 7.856 2.730 6.221 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.102 3.677 7.973 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.746 2.074 8.585 1.00 0.00 H new ATOM 0 HG SER A 120 10.853 1.405 7.795 1.00 0.00 H new ATOM 230 N SER A 121 9.703 1.944 4.203 1.00 0.00 N ATOM 231 CA SER A 121 10.621 2.209 3.101 1.00 0.00 C ATOM 232 C SER A 121 9.856 2.552 1.827 1.00 0.00 C ATOM 233 O SER A 121 9.128 1.722 1.282 1.00 0.00 O ATOM 234 CB SER A 121 11.523 0.997 2.858 1.00 0.00 C ATOM 235 OG SER A 121 12.806 1.397 2.410 1.00 0.00 O ATOM 0 H SER A 121 8.991 1.243 3.999 1.00 0.00 H new ATOM 0 HA SER A 121 11.239 3.064 3.373 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.619 0.421 3.778 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.064 0.341 2.118 1.00 0.00 H new ATOM 0 HG SER A 121 13.363 0.604 2.264 1.00 0.00 H new ATOM 241 N THR A 122 10.027 3.783 1.355 1.00 0.00 N ATOM 242 CA THR A 122 9.353 4.239 0.146 1.00 0.00 C ATOM 243 C THR A 122 10.242 4.061 -1.080 1.00 0.00 C ATOM 244 O THR A 122 10.171 4.842 -2.028 1.00 0.00 O ATOM 245 CB THR A 122 8.940 5.719 0.256 1.00 0.00 C ATOM 246 OG1 THR A 122 10.099 6.557 0.182 1.00 0.00 O ATOM 247 CG2 THR A 122 8.203 5.979 1.561 1.00 0.00 C ATOM 0 H THR A 122 10.627 4.482 1.792 1.00 0.00 H new ATOM 0 HA THR A 122 8.458 3.627 0.034 1.00 0.00 H new ATOM 0 HB THR A 122 8.271 5.950 -0.573 1.00 0.00 H new ATOM 0 HG1 THR A 122 9.828 7.496 0.251 1.00 0.00 H new ATOM 0 HG21 THR A 122 7.921 7.031 1.617 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.306 5.360 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 122 8.852 5.733 2.401 1.00 0.00 H new ATOM 255 N MET A 123 11.078 3.028 -1.053 1.00 0.00 N ATOM 256 CA MET A 123 11.980 2.747 -2.164 1.00 0.00 C ATOM 257 C MET A 123 11.291 1.889 -3.220 1.00 0.00 C ATOM 258 O MET A 123 10.125 1.523 -3.073 1.00 0.00 O ATOM 259 CB MET A 123 13.240 2.042 -1.660 1.00 0.00 C ATOM 260 CG MET A 123 12.952 0.824 -0.798 1.00 0.00 C ATOM 261 SD MET A 123 14.434 -0.137 -0.435 1.00 0.00 S ATOM 262 CE MET A 123 13.710 -1.669 0.145 1.00 0.00 C ATOM 0 H MET A 123 11.150 2.372 -0.275 1.00 0.00 H new ATOM 0 HA MET A 123 12.261 3.696 -2.620 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.842 1.737 -2.516 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.837 2.750 -1.086 1.00 0.00 H new ATOM 0 HG2 MET A 123 12.494 1.146 0.137 1.00 0.00 H new ATOM 0 HG3 MET A 123 12.227 0.188 -1.305 1.00 0.00 H new ATOM 0 HE1 MET A 123 14.503 -2.369 0.409 1.00 0.00 H new ATOM 0 HE2 MET A 123 13.093 -1.471 1.022 1.00 0.00 H new ATOM 0 HE3 MET A 123 13.093 -2.101 -0.643 1.00 0.00 H new ATOM 272 N VAL A 124 12.019 1.571 -4.286 1.00 0.00 N ATOM 273 CA VAL A 124 11.478 0.755 -5.366 1.00 0.00 C ATOM 274 C VAL A 124 11.765 -0.724 -5.134 1.00 0.00 C ATOM 275 O VAL A 124 12.666 -1.296 -5.748 1.00 0.00 O ATOM 276 CB VAL A 124 12.060 1.172 -6.730 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.324 0.470 -7.861 1.00 0.00 C ATOM 278 CG2 VAL A 124 11.994 2.683 -6.897 1.00 0.00 C ATOM 0 H VAL A 124 12.985 1.866 -4.424 1.00 0.00 H new ATOM 0 HA VAL A 124 10.400 0.916 -5.375 1.00 0.00 H new ATOM 0 HB VAL A 124 13.107 0.870 -6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.749 0.777 -8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.427 -0.609 -7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.268 0.739 -7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.409 2.960 -7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 124 10.956 3.010 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.570 3.162 -6.105 1.00 0.00 H new ATOM 288 N ASN A 125 10.993 -1.339 -4.244 1.00 0.00 N ATOM 289 CA ASN A 125 11.165 -2.753 -3.931 1.00 0.00 C ATOM 290 C ASN A 125 10.968 -3.614 -5.175 1.00 0.00 C ATOM 291 O ASN A 125 10.886 -3.100 -6.291 1.00 0.00 O ATOM 292 CB ASN A 125 10.178 -3.178 -2.841 1.00 0.00 C ATOM 293 CG ASN A 125 8.802 -3.489 -3.397 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.140 -2.622 -3.967 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.364 -4.732 -3.232 1.00 0.00 N ATOM 0 H ASN A 125 10.243 -0.881 -3.727 1.00 0.00 H new ATOM 0 HA ASN A 125 12.183 -2.899 -3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.566 -4.057 -2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.096 -2.384 -2.099 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.445 -5.000 -3.584 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.947 -5.419 -2.753 1.00 0.00 H new ATOM 302 N ASP A 126 10.891 -4.925 -4.975 1.00 0.00 N ATOM 303 CA ASP A 126 10.702 -5.857 -6.079 1.00 0.00 C ATOM 304 C ASP A 126 9.466 -5.490 -6.895 1.00 0.00 C ATOM 305 O ASP A 126 9.473 -5.575 -8.123 1.00 0.00 O ATOM 306 CB ASP A 126 10.574 -7.287 -5.552 1.00 0.00 C ATOM 307 CG ASP A 126 11.921 -7.946 -5.331 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.697 -8.051 -6.304 1.00 0.00 O ATOM 309 OD2 ASP A 126 12.200 -8.357 -4.185 1.00 0.00 O ATOM 0 H ASP A 126 10.957 -5.366 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 126 11.576 -5.794 -6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.020 -7.277 -4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.994 -7.881 -6.258 1.00 0.00 H new ATOM 314 N SER A 127 8.407 -5.083 -6.203 1.00 0.00 N ATOM 315 CA SER A 127 7.162 -4.708 -6.863 1.00 0.00 C ATOM 316 C SER A 127 6.252 -3.939 -5.909 1.00 0.00 C ATOM 317 O SER A 127 5.951 -4.405 -4.810 1.00 0.00 O ATOM 318 CB SER A 127 6.440 -5.952 -7.383 1.00 0.00 C ATOM 319 OG SER A 127 5.774 -5.683 -8.605 1.00 0.00 O ATOM 0 H SER A 127 8.386 -5.005 -5.186 1.00 0.00 H new ATOM 0 HA SER A 127 7.407 -4.061 -7.705 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.158 -6.759 -7.527 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.719 -6.295 -6.641 1.00 0.00 H new ATOM 0 HG SER A 127 5.322 -6.495 -8.917 1.00 0.00 H new ATOM 325 N MET A 128 5.816 -2.759 -6.338 1.00 0.00 N ATOM 326 CA MET A 128 4.940 -1.926 -5.524 1.00 0.00 C ATOM 327 C MET A 128 3.502 -1.995 -6.028 1.00 0.00 C ATOM 328 O MET A 128 3.253 -2.380 -7.171 1.00 0.00 O ATOM 329 CB MET A 128 5.426 -0.476 -5.532 1.00 0.00 C ATOM 330 CG MET A 128 6.912 -0.332 -5.244 1.00 0.00 C ATOM 331 SD MET A 128 7.514 1.345 -5.523 1.00 0.00 S ATOM 332 CE MET A 128 7.369 2.035 -3.877 1.00 0.00 C ATOM 0 H MET A 128 6.055 -2.359 -7.245 1.00 0.00 H new ATOM 0 HA MET A 128 4.967 -2.305 -4.502 1.00 0.00 H new ATOM 0 HB2 MET A 128 5.208 -0.034 -6.504 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.864 0.091 -4.790 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.107 -0.617 -4.210 1.00 0.00 H new ATOM 0 HG3 MET A 128 7.469 -1.024 -5.876 1.00 0.00 H new ATOM 0 HE1 MET A 128 8.050 2.880 -3.776 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.345 2.371 -3.712 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.624 1.274 -3.140 1.00 0.00 H new ATOM 342 N ILE A 129 2.560 -1.621 -5.168 1.00 0.00 N ATOM 343 CA ILE A 129 1.147 -1.640 -5.528 1.00 0.00 C ATOM 344 C ILE A 129 0.373 -0.564 -4.773 1.00 0.00 C ATOM 345 O ILE A 129 0.596 -0.347 -3.583 1.00 0.00 O ATOM 346 CB ILE A 129 0.511 -3.012 -5.239 1.00 0.00 C ATOM 347 CG1 ILE A 129 -0.984 -2.983 -5.560 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.738 -3.406 -3.787 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.661 -4.328 -5.409 1.00 0.00 C ATOM 0 H ILE A 129 2.749 -1.301 -4.218 1.00 0.00 H new ATOM 0 HA ILE A 129 1.091 -1.441 -6.598 1.00 0.00 H new ATOM 0 HB ILE A 129 0.986 -3.758 -5.876 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.474 -2.263 -4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.121 -2.629 -6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.283 -4.378 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.808 -3.462 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.286 -2.660 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.719 -4.232 -5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.197 -5.047 -6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.555 -4.675 -4.381 1.00 0.00 H new ATOM 361 N GLN A 130 -0.537 0.104 -5.475 1.00 0.00 N ATOM 362 CA GLN A 130 -1.345 1.157 -4.870 1.00 0.00 C ATOM 363 C GLN A 130 -2.640 0.589 -4.299 1.00 0.00 C ATOM 364 O GLN A 130 -3.208 -0.358 -4.844 1.00 0.00 O ATOM 365 CB GLN A 130 -1.660 2.242 -5.900 1.00 0.00 C ATOM 366 CG GLN A 130 -2.605 3.315 -5.384 1.00 0.00 C ATOM 367 CD GLN A 130 -2.411 4.648 -6.080 1.00 0.00 C ATOM 368 OE1 GLN A 130 -2.462 5.730 -5.312 1.00 0.00 O flip ATOM 369 NE2 GLN A 130 -2.218 4.704 -7.295 1.00 0.00 N flip ATOM 0 H GLN A 130 -0.733 -0.065 -6.462 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.772 1.597 -4.054 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.729 2.712 -6.217 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -2.099 1.777 -6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.634 2.984 -5.522 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.452 3.443 -4.312 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.186 3.846 -7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.090 5.608 -7.750 1.00 0.00 H new ATOM 378 N CYS A 131 -3.101 1.173 -3.198 1.00 0.00 N ATOM 379 CA CYS A 131 -4.329 0.725 -2.552 1.00 0.00 C ATOM 380 C CYS A 131 -5.511 0.808 -3.513 1.00 0.00 C ATOM 381 O CYS A 131 -5.518 1.624 -4.434 1.00 0.00 O ATOM 382 CB CYS A 131 -4.611 1.567 -1.306 1.00 0.00 C ATOM 383 SG CYS A 131 -6.009 0.968 -0.304 1.00 0.00 S ATOM 0 H CYS A 131 -2.643 1.958 -2.735 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.196 -0.316 -2.257 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.716 1.588 -0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.811 2.594 -1.612 1.00 0.00 H new ATOM 0 HG CYS A 131 -6.296 1.847 0.609 1.00 0.00 H new ATOM 388 N GLU A 132 -6.508 -0.043 -3.291 1.00 0.00 N ATOM 389 CA GLU A 132 -7.695 -0.065 -4.138 1.00 0.00 C ATOM 390 C GLU A 132 -8.756 0.898 -3.614 1.00 0.00 C ATOM 391 O GLU A 132 -9.929 0.805 -3.978 1.00 0.00 O ATOM 392 CB GLU A 132 -8.269 -1.482 -4.212 1.00 0.00 C ATOM 393 CG GLU A 132 -8.031 -2.166 -5.547 1.00 0.00 C ATOM 394 CD GLU A 132 -9.164 -1.938 -6.530 1.00 0.00 C ATOM 395 OE1 GLU A 132 -10.333 -1.917 -6.093 1.00 0.00 O ATOM 396 OE2 GLU A 132 -8.879 -1.780 -7.736 1.00 0.00 O ATOM 0 H GLU A 132 -6.517 -0.725 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.402 0.254 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.826 -2.086 -3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.341 -1.441 -4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.101 -1.798 -5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.905 -3.237 -5.385 1.00 0.00 H new ATOM 403 N ASP A 133 -8.336 1.823 -2.758 1.00 0.00 N ATOM 404 CA ASP A 133 -9.249 2.804 -2.183 1.00 0.00 C ATOM 405 C ASP A 133 -8.844 4.220 -2.581 1.00 0.00 C ATOM 406 O ASP A 133 -7.762 4.689 -2.226 1.00 0.00 O ATOM 407 CB ASP A 133 -9.276 2.677 -0.659 1.00 0.00 C ATOM 408 CG ASP A 133 -10.235 3.657 -0.013 1.00 0.00 C ATOM 409 OD1 ASP A 133 -11.015 4.296 -0.750 1.00 0.00 O ATOM 410 OD2 ASP A 133 -10.206 3.785 1.229 1.00 0.00 O ATOM 0 H ASP A 133 -7.369 1.914 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.248 2.607 -2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.562 1.661 -0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.273 2.842 -0.266 1.00 0.00 H new ATOM 415 N GLN A 134 -9.718 4.895 -3.319 1.00 0.00 N ATOM 416 CA GLN A 134 -9.450 6.257 -3.766 1.00 0.00 C ATOM 417 C GLN A 134 -9.316 7.203 -2.578 1.00 0.00 C ATOM 418 O GLN A 134 -8.702 8.266 -2.684 1.00 0.00 O ATOM 419 CB GLN A 134 -10.566 6.741 -4.694 1.00 0.00 C ATOM 420 CG GLN A 134 -10.422 8.196 -5.112 1.00 0.00 C ATOM 421 CD GLN A 134 -10.626 8.399 -6.600 1.00 0.00 C ATOM 422 OE1 GLN A 134 -9.861 9.109 -7.252 1.00 0.00 O ATOM 423 NE2 GLN A 134 -11.663 7.774 -7.146 1.00 0.00 N ATOM 0 H GLN A 134 -10.618 4.522 -3.620 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.507 6.254 -4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.582 6.115 -5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.526 6.608 -4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -11.145 8.801 -4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -9.431 8.554 -4.833 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -12.272 7.195 -6.568 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -11.851 7.873 -8.144 1.00 0.00 H new ATOM 432 N ARG A 135 -9.893 6.811 -1.447 1.00 0.00 N ATOM 433 CA ARG A 135 -9.839 7.625 -0.238 1.00 0.00 C ATOM 434 C ARG A 135 -8.573 7.328 0.561 1.00 0.00 C ATOM 435 O ARG A 135 -8.412 7.800 1.687 1.00 0.00 O ATOM 436 CB ARG A 135 -11.073 7.372 0.629 1.00 0.00 C ATOM 437 CG ARG A 135 -12.367 7.873 0.007 1.00 0.00 C ATOM 438 CD ARG A 135 -12.749 9.243 0.543 1.00 0.00 C ATOM 439 NE ARG A 135 -13.571 9.151 1.747 1.00 0.00 N ATOM 440 CZ ARG A 135 -14.012 10.208 2.418 1.00 0.00 C ATOM 441 NH1 ARG A 135 -13.713 11.432 2.006 1.00 0.00 N ATOM 442 NH2 ARG A 135 -14.756 10.043 3.505 1.00 0.00 N ATOM 0 H ARG A 135 -10.404 5.934 -1.342 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.822 8.673 -0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.161 6.302 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.933 7.856 1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.256 7.923 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -13.169 7.164 0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -11.845 9.811 0.764 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.292 9.794 -0.225 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.820 8.224 2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -13.142 11.564 1.171 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -14.054 12.242 2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -14.989 9.103 3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -15.094 10.856 4.020 1.00 0.00 H new ATOM 456 N CYS A 136 -7.678 6.543 -0.029 1.00 0.00 N ATOM 457 CA CYS A 136 -6.427 6.181 0.627 1.00 0.00 C ATOM 458 C CYS A 136 -5.230 6.530 -0.253 1.00 0.00 C ATOM 459 O CYS A 136 -4.358 7.300 0.146 1.00 0.00 O ATOM 460 CB CYS A 136 -6.413 4.688 0.958 1.00 0.00 C ATOM 461 SG CYS A 136 -5.946 4.311 2.677 1.00 0.00 S ATOM 0 H CYS A 136 -7.796 6.145 -0.961 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.353 6.752 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.402 4.274 0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.719 4.184 0.286 1.00 0.00 H new ATOM 0 HG CYS A 136 -6.593 3.258 3.081 1.00 0.00 H new ATOM 466 N GLN A 137 -5.198 5.957 -1.452 1.00 0.00 N ATOM 467 CA GLN A 137 -4.109 6.207 -2.389 1.00 0.00 C ATOM 468 C GLN A 137 -2.756 5.978 -1.723 1.00 0.00 C ATOM 469 O GLN A 137 -1.894 6.858 -1.727 1.00 0.00 O ATOM 470 CB GLN A 137 -4.190 7.636 -2.929 1.00 0.00 C ATOM 471 CG GLN A 137 -5.483 7.934 -3.670 1.00 0.00 C ATOM 472 CD GLN A 137 -5.322 7.866 -5.176 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.235 8.893 -5.849 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.279 6.652 -5.713 1.00 0.00 N ATOM 0 H GLN A 137 -5.913 5.317 -1.797 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.209 5.507 -3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.087 8.335 -2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.348 7.810 -3.599 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.248 7.223 -3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.837 8.926 -3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.355 5.828 -5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.170 6.544 -6.721 1.00 0.00 H new ATOM 483 N VAL A 138 -2.576 4.791 -1.153 1.00 0.00 N ATOM 484 CA VAL A 138 -1.327 4.446 -0.483 1.00 0.00 C ATOM 485 C VAL A 138 -0.645 3.266 -1.167 1.00 0.00 C ATOM 486 O VAL A 138 -1.252 2.213 -1.361 1.00 0.00 O ATOM 487 CB VAL A 138 -1.561 4.101 0.999 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.872 5.358 1.797 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.682 3.081 1.138 1.00 0.00 C ATOM 0 H VAL A 138 -3.279 4.052 -1.142 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.682 5.322 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.648 3.661 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.034 5.095 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.035 6.052 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.770 5.829 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.834 2.849 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.601 3.492 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.415 2.171 0.601 1.00 0.00 H new ATOM 499 N TRP A 139 0.619 3.450 -1.529 1.00 0.00 N ATOM 500 CA TRP A 139 1.385 2.400 -2.191 1.00 0.00 C ATOM 501 C TRP A 139 2.110 1.529 -1.171 1.00 0.00 C ATOM 502 O TRP A 139 2.555 2.017 -0.132 1.00 0.00 O ATOM 503 CB TRP A 139 2.392 3.011 -3.166 1.00 0.00 C ATOM 504 CG TRP A 139 1.749 3.765 -4.290 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.874 4.809 -4.182 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.928 3.532 -5.691 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.499 5.238 -5.432 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.132 4.472 -6.375 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.685 2.623 -6.435 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.072 4.526 -7.765 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.624 2.677 -7.814 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.823 3.623 -8.468 1.00 0.00 C ATOM 0 H TRP A 139 1.136 4.316 -1.376 1.00 0.00 H new ATOM 0 HA TRP A 139 0.688 1.772 -2.746 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.054 3.683 -2.620 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.014 2.217 -3.580 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.528 5.234 -3.251 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.147 6.003 -5.627 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.307 1.891 -5.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.455 5.254 -8.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.204 1.978 -8.398 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.798 3.640 -9.548 1.00 0.00 H new ATOM 523 N GLN A 140 2.224 0.240 -1.474 1.00 0.00 N ATOM 524 CA GLN A 140 2.895 -0.697 -0.581 1.00 0.00 C ATOM 525 C GLN A 140 3.648 -1.760 -1.374 1.00 0.00 C ATOM 526 O GLN A 140 3.350 -2.005 -2.544 1.00 0.00 O ATOM 527 CB GLN A 140 1.881 -1.363 0.351 1.00 0.00 C ATOM 528 CG GLN A 140 1.332 -0.430 1.418 1.00 0.00 C ATOM 529 CD GLN A 140 0.797 -1.175 2.625 1.00 0.00 C ATOM 530 OE1 GLN A 140 0.827 -2.405 2.674 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.302 -0.431 3.608 1.00 0.00 N ATOM 0 H GLN A 140 1.861 -0.179 -2.330 1.00 0.00 H new ATOM 0 HA GLN A 140 3.614 -0.137 0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.053 -1.749 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.352 -2.218 0.835 1.00 0.00 H new ATOM 0 HG2 GLN A 140 2.119 0.254 1.737 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.536 0.178 0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.297 0.586 3.525 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.073 -0.876 4.445 1.00 0.00 H new ATOM 540 N HIS A 141 4.627 -2.389 -0.731 1.00 0.00 N ATOM 541 CA HIS A 141 5.423 -3.426 -1.377 1.00 0.00 C ATOM 542 C HIS A 141 4.634 -4.727 -1.488 1.00 0.00 C ATOM 543 O HIS A 141 4.297 -5.349 -0.479 1.00 0.00 O ATOM 544 CB HIS A 141 6.716 -3.666 -0.597 1.00 0.00 C ATOM 545 CG HIS A 141 7.612 -2.467 -0.539 1.00 0.00 C ATOM 546 ND1 HIS A 141 7.724 -1.405 -1.370 1.00 0.00 N flip ATOM 547 CD2 HIS A 141 8.533 -2.264 0.467 1.00 0.00 C flip ATOM 548 CE1 HIS A 141 8.700 -0.587 -0.856 1.00 0.00 C flip ATOM 549 NE2 HIS A 141 9.172 -1.128 0.253 1.00 0.00 N flip ATOM 0 H HIS A 141 4.888 -2.198 0.237 1.00 0.00 H new ATOM 0 HA HIS A 141 5.671 -3.085 -2.382 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.466 -3.972 0.419 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.259 -4.493 -1.055 1.00 0.00 H new ATOM 0 HD1 HIS A 141 7.184 -1.242 -2.220 1.00 0.00 H new ATOM 0 HD2 HIS A 141 8.705 -2.930 1.300 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.028 0.347 -1.288 1.00 0.00 H new ATOM 557 N LEU A 142 4.341 -5.133 -2.718 1.00 0.00 N ATOM 558 CA LEU A 142 3.590 -6.359 -2.961 1.00 0.00 C ATOM 559 C LEU A 142 4.220 -7.538 -2.226 1.00 0.00 C ATOM 560 O LEU A 142 3.519 -8.371 -1.653 1.00 0.00 O ATOM 561 CB LEU A 142 3.527 -6.654 -4.461 1.00 0.00 C ATOM 562 CG LEU A 142 2.204 -6.326 -5.155 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.278 -6.670 -6.634 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.055 -7.069 -4.489 1.00 0.00 C ATOM 0 H LEU A 142 4.612 -4.631 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 142 2.578 -6.217 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.322 -6.094 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.741 -7.712 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 142 2.021 -5.256 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.328 -6.430 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.075 -6.093 -7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.484 -7.734 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.121 -6.824 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.231 -8.143 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.988 -6.773 -3.442 1.00 0.00 H new ATOM 576 N ASN A 143 5.547 -7.600 -2.246 1.00 0.00 N ATOM 577 CA ASN A 143 6.272 -8.676 -1.579 1.00 0.00 C ATOM 578 C ASN A 143 6.043 -8.633 -0.071 1.00 0.00 C ATOM 579 O ASN A 143 6.067 -9.665 0.601 1.00 0.00 O ATOM 580 CB ASN A 143 7.768 -8.575 -1.882 1.00 0.00 C ATOM 581 CG ASN A 143 8.170 -9.397 -3.091 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.853 -10.414 -2.966 1.00 0.00 O ATOM 583 ND2 ASN A 143 7.746 -8.960 -4.272 1.00 0.00 N ATOM 0 H ASN A 143 6.142 -6.918 -2.716 1.00 0.00 H new ATOM 0 HA ASN A 143 5.894 -9.625 -1.959 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.032 -7.531 -2.052 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.335 -8.910 -1.014 1.00 0.00 H new ATOM 0 HD21 ASN A 143 7.985 -9.472 -5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.182 -8.112 -4.330 1.00 0.00 H new ATOM 590 N CYS A 144 5.821 -7.433 0.454 1.00 0.00 N ATOM 591 CA CYS A 144 5.588 -7.255 1.882 1.00 0.00 C ATOM 592 C CYS A 144 4.156 -7.634 2.251 1.00 0.00 C ATOM 593 O CYS A 144 3.900 -8.149 3.339 1.00 0.00 O ATOM 594 CB CYS A 144 5.864 -5.806 2.288 1.00 0.00 C ATOM 595 SG CYS A 144 7.633 -5.405 2.456 1.00 0.00 S ATOM 0 H CYS A 144 5.798 -6.569 -0.088 1.00 0.00 H new ATOM 0 HA CYS A 144 6.270 -7.913 2.421 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.421 -5.141 1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.365 -5.604 3.236 1.00 0.00 H new ATOM 0 HG CYS A 144 7.770 -4.133 2.685 1.00 0.00 H new ATOM 600 N VAL A 145 3.227 -7.374 1.337 1.00 0.00 N ATOM 601 CA VAL A 145 1.822 -7.689 1.564 1.00 0.00 C ATOM 602 C VAL A 145 1.440 -9.009 0.903 1.00 0.00 C ATOM 603 O VAL A 145 0.260 -9.346 0.800 1.00 0.00 O ATOM 604 CB VAL A 145 0.903 -6.575 1.028 1.00 0.00 C ATOM 605 CG1 VAL A 145 1.040 -5.317 1.872 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.216 -6.284 -0.432 1.00 0.00 C ATOM 0 H VAL A 145 3.422 -6.946 0.432 1.00 0.00 H new ATOM 0 HA VAL A 145 1.688 -7.774 2.642 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.130 -6.917 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.383 -4.541 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.763 -5.538 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.072 -4.969 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.558 -5.495 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.253 -5.963 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 145 1.061 -7.186 -1.024 1.00 0.00 H new ATOM 616 N LEU A 146 2.446 -9.753 0.457 1.00 0.00 N ATOM 617 CA LEU A 146 2.217 -11.038 -0.194 1.00 0.00 C ATOM 618 C LEU A 146 2.376 -12.187 0.798 1.00 0.00 C ATOM 619 O LEU A 146 3.464 -12.420 1.323 1.00 0.00 O ATOM 620 CB LEU A 146 3.187 -11.221 -1.362 1.00 0.00 C ATOM 621 CG LEU A 146 2.601 -11.014 -2.759 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.711 -10.862 -3.787 1.00 0.00 C ATOM 623 CD2 LEU A 146 1.684 -12.171 -3.130 1.00 0.00 C ATOM 0 H LEU A 146 3.428 -9.489 0.534 1.00 0.00 H new ATOM 0 HA LEU A 146 1.195 -11.048 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 146 4.017 -10.527 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.602 -12.227 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 146 2.012 -10.097 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.274 -10.716 -4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.328 -10.000 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.328 -11.761 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.276 -12.007 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 146 2.250 -13.102 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 146 0.868 -12.234 -2.410 1.00 0.00 H new ATOM 759 N GLU A 156 0.577 -15.221 -2.864 1.00 0.00 N ATOM 760 CA GLU A 156 -0.712 -15.022 -3.515 1.00 0.00 C ATOM 761 C GLU A 156 -0.960 -13.541 -3.789 1.00 0.00 C ATOM 762 O GLU A 156 -1.115 -12.745 -2.863 1.00 0.00 O ATOM 763 CB GLU A 156 -1.840 -15.587 -2.649 1.00 0.00 C ATOM 764 CG GLU A 156 -2.888 -16.353 -3.438 1.00 0.00 C ATOM 765 CD GLU A 156 -4.012 -15.463 -3.932 1.00 0.00 C ATOM 766 OE1 GLU A 156 -3.735 -14.548 -4.736 1.00 0.00 O ATOM 767 OE2 GLU A 156 -5.168 -15.682 -3.515 1.00 0.00 O ATOM 0 HA GLU A 156 -0.694 -15.553 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.412 -16.247 -1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -2.324 -14.767 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -2.413 -16.839 -4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -3.303 -17.143 -2.812 1.00 0.00 H new ATOM 774 N VAL A 157 -0.995 -13.179 -5.067 1.00 0.00 N ATOM 775 CA VAL A 157 -1.225 -11.795 -5.464 1.00 0.00 C ATOM 776 C VAL A 157 -2.665 -11.585 -5.917 1.00 0.00 C ATOM 777 O VAL A 157 -3.033 -11.877 -7.055 1.00 0.00 O ATOM 778 CB VAL A 157 -0.274 -11.372 -6.600 1.00 0.00 C ATOM 779 CG1 VAL A 157 -0.459 -9.899 -6.930 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.170 -11.665 -6.222 1.00 0.00 C ATOM 0 H VAL A 157 -0.867 -13.825 -5.846 1.00 0.00 H new ATOM 0 HA VAL A 157 -1.030 -11.178 -4.587 1.00 0.00 H new ATOM 0 HB VAL A 157 -0.518 -11.952 -7.490 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.221 -9.618 -7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.487 -9.723 -7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.243 -9.298 -6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 157 1.828 -11.360 -7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.429 -11.112 -5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.289 -12.733 -6.040 1.00 0.00 H new ATOM 790 N PRO A 158 -3.501 -11.065 -5.007 1.00 0.00 N ATOM 791 CA PRO A 158 -4.916 -10.802 -5.290 1.00 0.00 C ATOM 792 C PRO A 158 -5.106 -9.648 -6.268 1.00 0.00 C ATOM 793 O PRO A 158 -4.197 -8.855 -6.515 1.00 0.00 O ATOM 794 CB PRO A 158 -5.491 -10.441 -3.918 1.00 0.00 C ATOM 795 CG PRO A 158 -4.328 -9.924 -3.144 1.00 0.00 C ATOM 796 CD PRO A 158 -3.131 -10.693 -3.631 1.00 0.00 C ATOM 0 HA PRO A 158 -5.404 -11.656 -5.760 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.276 -9.689 -4.003 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.934 -11.311 -3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.196 -8.854 -3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.476 -10.069 -2.074 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.227 -10.085 -3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.940 -11.572 -3.015 1.00 0.00 H new ATOM 804 N PRO A 159 -6.316 -9.549 -6.839 1.00 0.00 N ATOM 805 CA PRO A 159 -6.654 -8.494 -7.798 1.00 0.00 C ATOM 806 C PRO A 159 -6.744 -7.120 -7.142 1.00 0.00 C ATOM 807 O PRO A 159 -6.230 -6.134 -7.671 1.00 0.00 O ATOM 808 CB PRO A 159 -8.025 -8.923 -8.329 1.00 0.00 C ATOM 809 CG PRO A 159 -8.607 -9.758 -7.242 1.00 0.00 C ATOM 810 CD PRO A 159 -7.447 -10.459 -6.591 1.00 0.00 C ATOM 0 HA PRO A 159 -5.894 -8.390 -8.573 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -8.654 -8.059 -8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -7.931 -9.489 -9.256 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -9.144 -9.141 -6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -9.322 -10.477 -7.642 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.615 -10.609 -5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -7.275 -11.442 -7.028 1.00 0.00 H new ATOM 818 N VAL A 160 -7.398 -7.063 -5.987 1.00 0.00 N ATOM 819 CA VAL A 160 -7.553 -5.810 -5.257 1.00 0.00 C ATOM 820 C VAL A 160 -6.745 -5.823 -3.964 1.00 0.00 C ATOM 821 O VAL A 160 -6.851 -6.752 -3.163 1.00 0.00 O ATOM 822 CB VAL A 160 -9.031 -5.534 -4.923 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.752 -4.954 -6.131 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.715 -6.805 -4.443 1.00 0.00 C ATOM 0 H VAL A 160 -7.829 -7.870 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.181 -5.018 -5.906 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.073 -4.800 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.795 -4.765 -5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.275 -4.019 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -9.703 -5.662 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.759 -6.591 -4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -9.664 -7.563 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -9.213 -7.173 -3.548 1.00 0.00 H new ATOM 834 N PHE A 161 -5.938 -4.786 -3.766 1.00 0.00 N ATOM 835 CA PHE A 161 -5.111 -4.679 -2.570 1.00 0.00 C ATOM 836 C PHE A 161 -5.601 -3.548 -1.670 1.00 0.00 C ATOM 837 O PHE A 161 -5.958 -2.470 -2.148 1.00 0.00 O ATOM 838 CB PHE A 161 -3.649 -4.443 -2.955 1.00 0.00 C ATOM 839 CG PHE A 161 -2.830 -3.834 -1.852 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.404 -4.604 -0.782 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.486 -2.492 -1.887 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.650 -4.047 0.234 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.732 -1.930 -0.874 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.315 -2.708 0.188 1.00 0.00 C ATOM 0 H PHE A 161 -5.839 -4.008 -4.418 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.188 -5.617 -2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.201 -5.392 -3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.612 -3.790 -3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.664 -5.651 -0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.811 -1.879 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.323 -4.658 1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.469 -0.883 -0.913 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.728 -2.270 0.981 1.00 0.00 H new ATOM 854 N TYR A 162 -5.616 -3.802 -0.367 1.00 0.00 N ATOM 855 CA TYR A 162 -6.065 -2.807 0.600 1.00 0.00 C ATOM 856 C TYR A 162 -5.092 -2.709 1.772 1.00 0.00 C ATOM 857 O TYR A 162 -4.823 -3.697 2.456 1.00 0.00 O ATOM 858 CB TYR A 162 -7.463 -3.157 1.112 1.00 0.00 C ATOM 859 CG TYR A 162 -8.545 -3.009 0.066 1.00 0.00 C ATOM 860 CD1 TYR A 162 -9.073 -1.762 -0.244 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.038 -4.117 -0.613 1.00 0.00 C ATOM 862 CE1 TYR A 162 -10.062 -1.623 -1.199 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.026 -3.987 -1.570 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.535 -2.738 -1.859 1.00 0.00 C ATOM 865 OH TYR A 162 -11.519 -2.603 -2.811 1.00 0.00 O ATOM 0 H TYR A 162 -5.323 -4.688 0.044 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.101 -1.840 0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.461 -4.184 1.477 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.701 -2.517 1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.704 -0.887 0.270 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -8.642 -5.096 -0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -10.463 -0.646 -1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -10.398 -4.858 -2.089 1.00 0.00 H new ATOM 0 HH TYR A 162 -11.739 -3.483 -3.181 1.00 0.00 H new ATOM 875 N CYS A 163 -4.568 -1.509 1.999 1.00 0.00 N ATOM 876 CA CYS A 163 -3.626 -1.279 3.087 1.00 0.00 C ATOM 877 C CYS A 163 -4.239 -1.668 4.429 1.00 0.00 C ATOM 878 O CYS A 163 -5.352 -2.189 4.485 1.00 0.00 O ATOM 879 CB CYS A 163 -3.197 0.190 3.116 1.00 0.00 C ATOM 880 SG CYS A 163 -4.445 1.314 3.822 1.00 0.00 S ATOM 0 H CYS A 163 -4.780 -0.680 1.443 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.750 -1.903 2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.277 0.277 3.693 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.968 0.511 2.100 1.00 0.00 H new ATOM 0 HG CYS A 163 -4.708 2.260 2.970 1.00 0.00 H new ATOM 885 N GLU A 164 -3.504 -1.410 5.506 1.00 0.00 N ATOM 886 CA GLU A 164 -3.975 -1.734 6.847 1.00 0.00 C ATOM 887 C GLU A 164 -5.250 -0.962 7.177 1.00 0.00 C ATOM 888 O GLU A 164 -6.221 -1.530 7.679 1.00 0.00 O ATOM 889 CB GLU A 164 -2.893 -1.420 7.882 1.00 0.00 C ATOM 890 CG GLU A 164 -2.379 0.008 7.811 1.00 0.00 C ATOM 891 CD GLU A 164 -0.900 0.112 8.130 1.00 0.00 C ATOM 892 OE1 GLU A 164 -0.471 -0.463 9.152 1.00 0.00 O ATOM 893 OE2 GLU A 164 -0.172 0.768 7.356 1.00 0.00 O ATOM 0 H GLU A 164 -2.581 -0.978 5.476 1.00 0.00 H new ATOM 0 HA GLU A 164 -4.198 -2.800 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.292 -1.604 8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -2.057 -2.105 7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -2.560 0.406 6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.942 0.628 8.509 1.00 0.00 H new ATOM 900 N LEU A 165 -5.238 0.336 6.893 1.00 0.00 N ATOM 901 CA LEU A 165 -6.392 1.188 7.160 1.00 0.00 C ATOM 902 C LEU A 165 -7.659 0.593 6.554 1.00 0.00 C ATOM 903 O LEU A 165 -8.626 0.311 7.263 1.00 0.00 O ATOM 904 CB LEU A 165 -6.155 2.591 6.599 1.00 0.00 C ATOM 905 CG LEU A 165 -4.788 3.209 6.892 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.728 4.640 6.381 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.489 3.161 8.384 1.00 0.00 C ATOM 0 H LEU A 165 -4.442 0.821 6.478 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.523 1.253 8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.291 2.556 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.924 3.254 6.996 1.00 0.00 H new ATOM 0 HG LEU A 165 -4.029 2.626 6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.747 5.063 6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.896 4.649 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.497 5.235 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.512 3.605 8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.253 3.719 8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.488 2.125 8.722 1.00 0.00 H new ATOM 919 N CYS A 166 -7.648 0.403 5.239 1.00 0.00 N ATOM 920 CA CYS A 166 -8.795 -0.160 4.537 1.00 0.00 C ATOM 921 C CYS A 166 -9.035 -1.607 4.960 1.00 0.00 C ATOM 922 O CYS A 166 -10.170 -2.083 4.963 1.00 0.00 O ATOM 923 CB CYS A 166 -8.578 -0.089 3.024 1.00 0.00 C ATOM 924 SG CYS A 166 -8.280 1.594 2.394 1.00 0.00 S ATOM 0 H CYS A 166 -6.856 0.631 4.637 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.675 0.428 4.800 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.730 -0.720 2.759 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.452 -0.504 2.522 1.00 0.00 H new ATOM 0 HG CYS A 166 -9.409 2.128 2.033 1.00 0.00 H new ATOM 929 N ARG A 167 -7.958 -2.300 5.316 1.00 0.00 N ATOM 930 CA ARG A 167 -8.051 -3.692 5.740 1.00 0.00 C ATOM 931 C ARG A 167 -8.953 -3.828 6.963 1.00 0.00 C ATOM 932 O ARG A 167 -9.893 -4.624 6.969 1.00 0.00 O ATOM 933 CB ARG A 167 -6.660 -4.245 6.054 1.00 0.00 C ATOM 934 CG ARG A 167 -6.035 -5.011 4.900 1.00 0.00 C ATOM 935 CD ARG A 167 -5.870 -6.486 5.234 1.00 0.00 C ATOM 936 NE ARG A 167 -4.540 -6.783 5.759 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.143 -8.002 6.106 1.00 0.00 C ATOM 938 NH1 ARG A 167 -4.969 -9.032 5.983 1.00 0.00 N ATOM 939 NH2 ARG A 167 -2.917 -8.193 6.576 1.00 0.00 N ATOM 0 H ARG A 167 -7.011 -1.920 5.319 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.487 -4.267 4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -6.004 -3.419 6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.727 -4.902 6.921 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -6.658 -4.906 4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.063 -4.580 4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -6.622 -6.778 5.967 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -6.048 -7.082 4.339 1.00 0.00 H new ATOM 0 HE ARG A 167 -3.880 -6.012 5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -5.912 -8.889 5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -4.661 -9.967 6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.278 -7.403 6.671 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.613 -9.130 6.842 1.00 0.00 H new