USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=16 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= -0.427 F(o=-1.8,f=-1.2) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.728 K(o=-1.2,f=-4.7!) USER MOD Set 2.1: A 131 CYS SG : rot 176:sc= -0.113 USER MOD Set 2.2: A 136 CYS SG : rot -154:sc= 1.18 USER MOD Set 2.3: A 163 CYS SG : rot -28:sc= -2.02! USER MOD Set 2.4: A 166 CYS SG : rot 67:sc= 0.496 USER MOD Set 3.1: A 117 CYS SG : rot -170:sc= 0.527 USER MOD Set 3.2: A 119 CYS SG : rot -75:sc= -0.167 USER MOD Set 3.3: A 125 ASN : amide:sc= -4.63! C(o=-8.2!,f=-10!) USER MOD Set 3.4: A 128 MET CE :methyl 171:sc= -0.948 (180deg=-1.15) USER MOD Set 3.5: A 141 HIS : no HE2:sc= -2.57 X(o=-8.2,f=-8.5) USER MOD Set 3.6: A 144 CYS SG : rot -170:sc= -0.456 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -59:sc= 0.942 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 -135:sc= 0 (180deg=-0.0718) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0.603 K(o=0.6,f=-0.073) USER MOD Single : A 140 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.9!) USER MOD Single : A 143 ASN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 112 -1.329 11.785 -4.371 1.00 0.00 N ATOM 94 CA GLU A 112 -1.951 10.576 -4.897 1.00 0.00 C ATOM 95 C GLU A 112 -0.990 9.393 -4.822 1.00 0.00 C ATOM 96 O GLU A 112 -1.409 8.236 -4.850 1.00 0.00 O ATOM 97 CB GLU A 112 -2.397 10.793 -6.345 1.00 0.00 C ATOM 98 CG GLU A 112 -3.848 11.226 -6.476 1.00 0.00 C ATOM 99 CD GLU A 112 -3.989 12.690 -6.845 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.282 13.138 -7.772 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.805 13.387 -6.207 1.00 0.00 O ATOM 0 HA GLU A 112 -2.825 10.352 -4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.758 11.548 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.250 9.869 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.338 10.615 -7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.365 11.041 -5.534 1.00 0.00 H new ATOM 108 N ALA A 113 0.302 9.693 -4.729 1.00 0.00 N ATOM 109 CA ALA A 113 1.323 8.655 -4.648 1.00 0.00 C ATOM 110 C ALA A 113 2.034 8.688 -3.300 1.00 0.00 C ATOM 111 O ALA A 113 3.074 9.328 -3.150 1.00 0.00 O ATOM 112 CB ALA A 113 2.327 8.815 -5.780 1.00 0.00 C ATOM 0 H ALA A 113 0.666 10.646 -4.708 1.00 0.00 H new ATOM 0 HA ALA A 113 0.831 7.687 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.084 8.034 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.812 8.734 -6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.805 9.792 -5.707 1.00 0.00 H new ATOM 118 N LYS A 114 1.465 7.994 -2.320 1.00 0.00 N ATOM 119 CA LYS A 114 2.044 7.943 -0.982 1.00 0.00 C ATOM 120 C LYS A 114 2.426 6.514 -0.610 1.00 0.00 C ATOM 121 O LYS A 114 1.560 5.667 -0.386 1.00 0.00 O ATOM 122 CB LYS A 114 1.057 8.502 0.045 1.00 0.00 C ATOM 123 CG LYS A 114 1.476 8.261 1.485 1.00 0.00 C ATOM 124 CD LYS A 114 0.441 8.793 2.463 1.00 0.00 C ATOM 125 CE LYS A 114 1.098 9.467 3.657 1.00 0.00 C ATOM 126 NZ LYS A 114 0.190 10.452 4.307 1.00 0.00 N ATOM 0 H LYS A 114 0.603 7.459 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 114 2.946 8.555 -0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.945 9.574 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.079 8.050 -0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.618 7.193 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.436 8.743 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.210 9.505 1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.190 7.974 2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.393 8.710 4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.009 9.971 3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.675 10.890 5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.072 11.188 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.668 9.967 4.639 1.00 0.00 H new ATOM 140 N VAL A 115 3.727 6.252 -0.543 1.00 0.00 N ATOM 141 CA VAL A 115 4.224 4.926 -0.195 1.00 0.00 C ATOM 142 C VAL A 115 4.212 4.714 1.315 1.00 0.00 C ATOM 143 O VAL A 115 5.034 5.276 2.038 1.00 0.00 O ATOM 144 CB VAL A 115 5.654 4.706 -0.721 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.072 3.255 -0.543 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.754 5.123 -2.181 1.00 0.00 C ATOM 0 H VAL A 115 4.457 6.941 -0.725 1.00 0.00 H new ATOM 0 HA VAL A 115 3.557 4.204 -0.666 1.00 0.00 H new ATOM 0 HB VAL A 115 6.335 5.328 -0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.085 3.119 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.041 2.995 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.389 2.609 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.771 4.961 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.062 4.528 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.500 6.179 -2.276 1.00 0.00 H new ATOM 156 N ARG A 116 3.273 3.899 1.785 1.00 0.00 N ATOM 157 CA ARG A 116 3.153 3.612 3.209 1.00 0.00 C ATOM 158 C ARG A 116 3.116 2.108 3.460 1.00 0.00 C ATOM 159 O ARG A 116 2.050 1.490 3.443 1.00 0.00 O ATOM 160 CB ARG A 116 1.892 4.266 3.778 1.00 0.00 C ATOM 161 CG ARG A 116 2.167 5.539 4.562 1.00 0.00 C ATOM 162 CD ARG A 116 1.936 5.336 6.051 1.00 0.00 C ATOM 163 NE ARG A 116 1.411 6.538 6.692 1.00 0.00 N ATOM 164 CZ ARG A 116 2.132 7.633 6.905 1.00 0.00 C ATOM 165 NH1 ARG A 116 3.403 7.677 6.528 1.00 0.00 N ATOM 166 NH2 ARG A 116 1.583 8.687 7.494 1.00 0.00 N ATOM 0 H ARG A 116 2.584 3.426 1.200 1.00 0.00 H new ATOM 0 HA ARG A 116 4.027 4.025 3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.210 4.494 2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.384 3.552 4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.196 5.857 4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.522 6.339 4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.239 4.511 6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 116 2.874 5.051 6.528 1.00 0.00 H new ATOM 0 HE ARG A 116 0.436 6.537 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 116 3.828 6.869 6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 116 3.955 8.519 6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 116 0.606 8.658 7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 116 2.138 9.527 7.657 1.00 0.00 H new ATOM 180 N CYS A 117 4.286 1.523 3.692 1.00 0.00 N ATOM 181 CA CYS A 117 4.389 0.091 3.945 1.00 0.00 C ATOM 182 C CYS A 117 4.713 -0.180 5.411 1.00 0.00 C ATOM 183 O CYS A 117 5.244 0.683 6.110 1.00 0.00 O ATOM 184 CB CYS A 117 5.464 -0.531 3.051 1.00 0.00 C ATOM 185 SG CYS A 117 5.382 -2.347 2.942 1.00 0.00 S ATOM 0 H CYS A 117 5.177 2.019 3.710 1.00 0.00 H new ATOM 0 HA CYS A 117 3.426 -0.363 3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.374 -0.113 2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.446 -0.244 3.428 1.00 0.00 H new ATOM 0 HG CYS A 117 6.445 -2.794 2.341 1.00 0.00 H new ATOM 190 N ILE A 118 4.390 -1.385 5.870 1.00 0.00 N ATOM 191 CA ILE A 118 4.648 -1.770 7.252 1.00 0.00 C ATOM 192 C ILE A 118 6.133 -1.674 7.581 1.00 0.00 C ATOM 193 O ILE A 118 6.516 -1.554 8.746 1.00 0.00 O ATOM 194 CB ILE A 118 4.162 -3.204 7.537 1.00 0.00 C ATOM 195 CG1 ILE A 118 4.729 -4.173 6.498 1.00 0.00 C ATOM 196 CG2 ILE A 118 2.642 -3.256 7.543 1.00 0.00 C ATOM 197 CD1 ILE A 118 4.861 -5.592 7.005 1.00 0.00 C ATOM 0 H ILE A 118 3.949 -2.111 5.305 1.00 0.00 H new ATOM 0 HA ILE A 118 4.093 -1.075 7.882 1.00 0.00 H new ATOM 0 HB ILE A 118 4.521 -3.505 8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.085 -4.168 5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.708 -3.818 6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.314 -4.275 7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.258 -2.591 8.316 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.263 -2.939 6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.269 -6.224 6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.529 -5.610 7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.880 -5.966 7.299 1.00 0.00 H new ATOM 209 N CYS A 119 6.968 -1.725 6.548 1.00 0.00 N ATOM 210 CA CYS A 119 8.412 -1.642 6.727 1.00 0.00 C ATOM 211 C CYS A 119 8.868 -0.187 6.805 1.00 0.00 C ATOM 212 O CYS A 119 10.050 0.094 7.003 1.00 0.00 O ATOM 213 CB CYS A 119 9.130 -2.352 5.577 1.00 0.00 C ATOM 214 SG CYS A 119 8.821 -1.616 3.940 1.00 0.00 S ATOM 0 H CYS A 119 6.669 -1.823 5.578 1.00 0.00 H new ATOM 0 HA CYS A 119 8.666 -2.135 7.665 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.203 -2.342 5.771 1.00 0.00 H new ATOM 0 HB3 CYS A 119 8.819 -3.397 5.558 1.00 0.00 H new ATOM 0 HG CYS A 119 7.629 -1.942 3.536 1.00 0.00 H new ATOM 219 N SER A 120 7.922 0.733 6.647 1.00 0.00 N ATOM 220 CA SER A 120 8.226 2.158 6.696 1.00 0.00 C ATOM 221 C SER A 120 9.340 2.510 5.715 1.00 0.00 C ATOM 222 O SER A 120 10.198 3.343 6.005 1.00 0.00 O ATOM 223 CB SER A 120 8.632 2.566 8.114 1.00 0.00 C ATOM 224 OG SER A 120 10.002 2.289 8.351 1.00 0.00 O ATOM 0 H SER A 120 6.939 0.517 6.484 1.00 0.00 H new ATOM 0 HA SER A 120 7.328 2.706 6.411 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.442 3.630 8.258 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.019 2.032 8.839 1.00 0.00 H new ATOM 0 HG SER A 120 10.168 1.331 8.228 1.00 0.00 H new ATOM 230 N SER A 121 9.319 1.868 4.551 1.00 0.00 N ATOM 231 CA SER A 121 10.328 2.109 3.526 1.00 0.00 C ATOM 232 C SER A 121 9.678 2.514 2.207 1.00 0.00 C ATOM 233 O SER A 121 8.944 1.734 1.598 1.00 0.00 O ATOM 234 CB SER A 121 11.187 0.860 3.323 1.00 0.00 C ATOM 235 OG SER A 121 12.392 1.174 2.645 1.00 0.00 O ATOM 0 H SER A 121 8.614 1.177 4.294 1.00 0.00 H new ATOM 0 HA SER A 121 10.964 2.928 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.416 0.411 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.627 0.119 2.752 1.00 0.00 H new ATOM 0 HG SER A 121 12.924 0.359 2.529 1.00 0.00 H new ATOM 241 N THR A 122 9.951 3.739 1.770 1.00 0.00 N ATOM 242 CA THR A 122 9.393 4.249 0.525 1.00 0.00 C ATOM 243 C THR A 122 10.350 4.024 -0.640 1.00 0.00 C ATOM 244 O THR A 122 10.384 4.808 -1.588 1.00 0.00 O ATOM 245 CB THR A 122 9.071 5.752 0.627 1.00 0.00 C ATOM 246 OG1 THR A 122 10.283 6.514 0.622 1.00 0.00 O ATOM 247 CG2 THR A 122 8.283 6.052 1.893 1.00 0.00 C ATOM 0 H THR A 122 10.556 4.397 2.261 1.00 0.00 H new ATOM 0 HA THR A 122 8.470 3.699 0.345 1.00 0.00 H new ATOM 0 HB THR A 122 8.464 6.030 -0.234 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.070 7.468 0.685 1.00 0.00 H new ATOM 0 HG21 THR A 122 8.067 7.119 1.943 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.347 5.493 1.880 1.00 0.00 H new ATOM 0 HG23 THR A 122 8.869 5.759 2.764 1.00 0.00 H new ATOM 255 N MET A 123 11.127 2.948 -0.562 1.00 0.00 N ATOM 256 CA MET A 123 12.084 2.620 -1.612 1.00 0.00 C ATOM 257 C MET A 123 11.428 1.778 -2.702 1.00 0.00 C ATOM 258 O MET A 123 10.239 1.467 -2.629 1.00 0.00 O ATOM 259 CB MET A 123 13.282 1.871 -1.024 1.00 0.00 C ATOM 260 CG MET A 123 14.582 2.656 -1.091 1.00 0.00 C ATOM 261 SD MET A 123 16.037 1.607 -0.910 1.00 0.00 S ATOM 262 CE MET A 123 16.134 0.878 -2.542 1.00 0.00 C ATOM 0 H MET A 123 11.112 2.289 0.217 1.00 0.00 H new ATOM 0 HA MET A 123 12.431 3.553 -2.057 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.070 1.623 0.016 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.408 0.929 -1.557 1.00 0.00 H new ATOM 0 HG2 MET A 123 14.635 3.183 -2.044 1.00 0.00 H new ATOM 0 HG3 MET A 123 14.585 3.414 -0.307 1.00 0.00 H new ATOM 0 HE1 MET A 123 16.320 -0.192 -2.452 1.00 0.00 H new ATOM 0 HE2 MET A 123 15.194 1.039 -3.069 1.00 0.00 H new ATOM 0 HE3 MET A 123 16.947 1.342 -3.100 1.00 0.00 H new ATOM 272 N VAL A 124 12.211 1.411 -3.712 1.00 0.00 N ATOM 273 CA VAL A 124 11.706 0.604 -4.816 1.00 0.00 C ATOM 274 C VAL A 124 11.902 -0.883 -4.545 1.00 0.00 C ATOM 275 O VAL A 124 12.914 -1.467 -4.931 1.00 0.00 O ATOM 276 CB VAL A 124 12.401 0.969 -6.141 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.727 0.264 -7.309 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.401 2.476 -6.346 1.00 0.00 C ATOM 0 H VAL A 124 13.197 1.660 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 124 10.640 0.817 -4.902 1.00 0.00 H new ATOM 0 HB VAL A 124 13.437 0.632 -6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.231 0.534 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.785 -0.815 -7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.681 0.567 -7.363 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.896 2.715 -7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.374 2.839 -6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.933 2.955 -5.524 1.00 0.00 H new ATOM 288 N ASN A 125 10.926 -1.491 -3.877 1.00 0.00 N ATOM 289 CA ASN A 125 10.991 -2.911 -3.553 1.00 0.00 C ATOM 290 C ASN A 125 10.859 -3.763 -4.812 1.00 0.00 C ATOM 291 O ASN A 125 10.920 -3.251 -5.930 1.00 0.00 O ATOM 292 CB ASN A 125 9.890 -3.279 -2.557 1.00 0.00 C ATOM 293 CG ASN A 125 8.544 -3.471 -3.227 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.014 -2.553 -3.854 1.00 0.00 O ATOM 295 ND2 ASN A 125 7.984 -4.668 -3.099 1.00 0.00 N ATOM 0 H ASN A 125 10.081 -1.022 -3.550 1.00 0.00 H new ATOM 0 HA ASN A 125 11.962 -3.111 -3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.167 -4.195 -2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 125 9.809 -2.496 -1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.079 -4.856 -3.529 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.459 -5.399 -2.570 1.00 0.00 H new ATOM 302 N ASP A 126 10.677 -5.065 -4.622 1.00 0.00 N ATOM 303 CA ASP A 126 10.535 -5.989 -5.742 1.00 0.00 C ATOM 304 C ASP A 126 9.342 -5.606 -6.612 1.00 0.00 C ATOM 305 O ASP A 126 9.400 -5.701 -7.838 1.00 0.00 O ATOM 306 CB ASP A 126 10.371 -7.421 -5.231 1.00 0.00 C ATOM 307 CG ASP A 126 11.662 -8.212 -5.303 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.507 -8.053 -4.397 1.00 0.00 O ATOM 309 OD2 ASP A 126 11.828 -8.991 -6.265 1.00 0.00 O ATOM 0 H ASP A 126 10.624 -5.505 -3.703 1.00 0.00 H new ATOM 0 HA ASP A 126 11.439 -5.930 -6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.020 -7.398 -4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.605 -7.928 -5.818 1.00 0.00 H new ATOM 314 N SER A 127 8.261 -5.175 -5.970 1.00 0.00 N ATOM 315 CA SER A 127 7.052 -4.783 -6.686 1.00 0.00 C ATOM 316 C SER A 127 6.125 -3.975 -5.784 1.00 0.00 C ATOM 317 O SER A 127 5.762 -4.416 -4.693 1.00 0.00 O ATOM 318 CB SER A 127 6.321 -6.020 -7.211 1.00 0.00 C ATOM 319 OG SER A 127 5.566 -5.713 -8.370 1.00 0.00 O ATOM 0 H SER A 127 8.197 -5.088 -4.956 1.00 0.00 H new ATOM 0 HA SER A 127 7.345 -4.158 -7.530 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.044 -6.803 -7.441 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.661 -6.412 -6.437 1.00 0.00 H new ATOM 0 HG SER A 127 5.110 -6.521 -8.687 1.00 0.00 H new ATOM 325 N MET A 128 5.745 -2.788 -6.247 1.00 0.00 N ATOM 326 CA MET A 128 4.858 -1.918 -5.483 1.00 0.00 C ATOM 327 C MET A 128 3.427 -2.008 -6.003 1.00 0.00 C ATOM 328 O MET A 128 3.194 -2.430 -7.136 1.00 0.00 O ATOM 329 CB MET A 128 5.348 -0.470 -5.550 1.00 0.00 C ATOM 330 CG MET A 128 6.798 -0.339 -5.986 1.00 0.00 C ATOM 331 SD MET A 128 7.514 1.256 -5.543 1.00 0.00 S ATOM 332 CE MET A 128 7.443 1.174 -3.755 1.00 0.00 C ATOM 0 H MET A 128 6.037 -2.407 -7.147 1.00 0.00 H new ATOM 0 HA MET A 128 4.869 -2.250 -4.445 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.717 0.087 -6.243 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.229 -0.009 -4.570 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.384 -1.136 -5.529 1.00 0.00 H new ATOM 0 HG3 MET A 128 6.863 -0.475 -7.066 1.00 0.00 H new ATOM 0 HE1 MET A 128 7.993 2.014 -3.330 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.404 1.219 -3.430 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.889 0.239 -3.416 1.00 0.00 H new ATOM 342 N ILE A 129 2.473 -1.610 -5.168 1.00 0.00 N ATOM 343 CA ILE A 129 1.065 -1.646 -5.545 1.00 0.00 C ATOM 344 C ILE A 129 0.279 -0.548 -4.836 1.00 0.00 C ATOM 345 O ILE A 129 0.412 -0.359 -3.627 1.00 0.00 O ATOM 346 CB ILE A 129 0.430 -3.010 -5.220 1.00 0.00 C ATOM 347 CG1 ILE A 129 -1.064 -2.993 -5.550 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.650 -3.361 -3.756 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.715 -4.357 -5.478 1.00 0.00 C ATOM 0 H ILE A 129 2.649 -1.259 -4.227 1.00 0.00 H new ATOM 0 HA ILE A 129 1.021 -1.483 -6.622 1.00 0.00 H new ATOM 0 HB ILE A 129 0.910 -3.773 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.573 -2.320 -4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.202 -2.586 -6.552 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.195 -4.328 -3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.719 -3.409 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.193 -2.598 -3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.773 -4.269 -5.724 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.232 -5.028 -6.188 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.609 -4.758 -4.470 1.00 0.00 H new ATOM 361 N GLN A 130 -0.542 0.169 -5.596 1.00 0.00 N ATOM 362 CA GLN A 130 -1.351 1.247 -5.040 1.00 0.00 C ATOM 363 C GLN A 130 -2.668 0.710 -4.488 1.00 0.00 C ATOM 364 O GLN A 130 -3.303 -0.151 -5.097 1.00 0.00 O ATOM 365 CB GLN A 130 -1.627 2.309 -6.106 1.00 0.00 C ATOM 366 CG GLN A 130 -2.660 3.341 -5.683 1.00 0.00 C ATOM 367 CD GLN A 130 -2.374 4.718 -6.250 1.00 0.00 C ATOM 368 OE1 GLN A 130 -2.403 5.730 -5.390 1.00 0.00 O flip ATOM 369 NE2 GLN A 130 -2.131 4.871 -7.447 1.00 0.00 N flip ATOM 0 H GLN A 130 -0.665 0.023 -6.598 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.792 1.701 -4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.695 2.819 -6.349 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -1.968 1.817 -7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.648 3.016 -6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.686 3.398 -4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.119 4.065 -8.072 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -1.942 5.804 -7.814 1.00 0.00 H new ATOM 378 N CYS A 131 -3.072 1.224 -3.331 1.00 0.00 N ATOM 379 CA CYS A 131 -4.313 0.796 -2.696 1.00 0.00 C ATOM 380 C CYS A 131 -5.486 0.906 -3.665 1.00 0.00 C ATOM 381 O CYS A 131 -5.494 1.759 -4.551 1.00 0.00 O ATOM 382 CB CYS A 131 -4.588 1.637 -1.448 1.00 0.00 C ATOM 383 SG CYS A 131 -6.010 1.064 -0.464 1.00 0.00 S ATOM 0 H CYS A 131 -2.558 1.937 -2.814 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.202 -0.249 -2.405 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.699 1.634 -0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.761 2.670 -1.750 1.00 0.00 H new ATOM 0 HG CYS A 131 -6.116 1.790 0.609 1.00 0.00 H new ATOM 388 N GLU A 132 -6.476 0.035 -3.489 1.00 0.00 N ATOM 389 CA GLU A 132 -7.654 0.035 -4.349 1.00 0.00 C ATOM 390 C GLU A 132 -8.730 0.966 -3.797 1.00 0.00 C ATOM 391 O GLU A 132 -9.905 0.850 -4.148 1.00 0.00 O ATOM 392 CB GLU A 132 -8.212 -1.383 -4.486 1.00 0.00 C ATOM 393 CG GLU A 132 -7.815 -2.071 -5.781 1.00 0.00 C ATOM 394 CD GLU A 132 -8.994 -2.296 -6.707 1.00 0.00 C ATOM 395 OE1 GLU A 132 -9.906 -1.442 -6.725 1.00 0.00 O ATOM 396 OE2 GLU A 132 -9.007 -3.325 -7.414 1.00 0.00 O ATOM 0 H GLU A 132 -6.485 -0.678 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.355 0.397 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.866 -1.983 -3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.300 -1.344 -4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.065 -1.468 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.350 -3.030 -5.551 1.00 0.00 H new ATOM 403 N ASP A 133 -8.321 1.886 -2.932 1.00 0.00 N ATOM 404 CA ASP A 133 -9.249 2.838 -2.331 1.00 0.00 C ATOM 405 C ASP A 133 -8.895 4.267 -2.730 1.00 0.00 C ATOM 406 O ASP A 133 -7.870 4.803 -2.311 1.00 0.00 O ATOM 407 CB ASP A 133 -9.236 2.703 -0.808 1.00 0.00 C ATOM 408 CG ASP A 133 -10.248 3.611 -0.138 1.00 0.00 C ATOM 409 OD1 ASP A 133 -11.263 3.947 -0.784 1.00 0.00 O ATOM 410 OD2 ASP A 133 -10.025 3.987 1.032 1.00 0.00 O ATOM 0 H ASP A 133 -7.353 1.994 -2.630 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.250 2.614 -2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.444 1.668 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.239 2.936 -0.434 1.00 0.00 H new ATOM 415 N GLN A 134 -9.751 4.878 -3.544 1.00 0.00 N ATOM 416 CA GLN A 134 -9.528 6.244 -4.000 1.00 0.00 C ATOM 417 C GLN A 134 -9.426 7.203 -2.819 1.00 0.00 C ATOM 418 O GLN A 134 -8.854 8.287 -2.934 1.00 0.00 O ATOM 419 CB GLN A 134 -10.657 6.683 -4.934 1.00 0.00 C ATOM 420 CG GLN A 134 -10.591 8.152 -5.320 1.00 0.00 C ATOM 421 CD GLN A 134 -11.615 8.996 -4.586 1.00 0.00 C ATOM 422 OE1 GLN A 134 -12.769 9.095 -5.004 1.00 0.00 O ATOM 423 NE2 GLN A 134 -11.197 9.609 -3.484 1.00 0.00 N ATOM 0 H GLN A 134 -10.605 4.448 -3.901 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.585 6.269 -4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.625 6.076 -5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.614 6.485 -4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -9.592 8.534 -5.109 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -10.749 8.249 -6.394 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -10.231 9.499 -3.174 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -11.842 10.190 -2.948 1.00 0.00 H new ATOM 432 N ARG A 135 -9.986 6.798 -1.684 1.00 0.00 N ATOM 433 CA ARG A 135 -9.960 7.622 -0.482 1.00 0.00 C ATOM 434 C ARG A 135 -8.701 7.350 0.336 1.00 0.00 C ATOM 435 O ARG A 135 -8.582 7.794 1.479 1.00 0.00 O ATOM 436 CB ARG A 135 -11.202 7.358 0.371 1.00 0.00 C ATOM 437 CG ARG A 135 -12.507 7.691 -0.334 1.00 0.00 C ATOM 438 CD ARG A 135 -13.706 7.150 0.429 1.00 0.00 C ATOM 439 NE ARG A 135 -14.260 5.954 -0.200 1.00 0.00 N ATOM 440 CZ ARG A 135 -15.258 5.247 0.317 1.00 0.00 C ATOM 441 NH1 ARG A 135 -15.809 5.614 1.466 1.00 0.00 N ATOM 442 NH2 ARG A 135 -15.708 4.170 -0.315 1.00 0.00 N ATOM 0 H ARG A 135 -10.463 5.904 -1.572 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.955 8.668 -0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.215 6.308 0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.134 7.944 1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.599 8.772 -0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.495 7.272 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -13.410 6.918 1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -14.476 7.919 0.487 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.858 5.645 -1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -15.466 6.441 1.955 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -16.576 5.069 1.861 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -15.287 3.884 -1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -16.475 3.628 0.083 1.00 0.00 H new ATOM 456 N CYS A 136 -7.763 6.618 -0.256 1.00 0.00 N ATOM 457 CA CYS A 136 -6.513 6.285 0.417 1.00 0.00 C ATOM 458 C CYS A 136 -5.315 6.612 -0.469 1.00 0.00 C ATOM 459 O CYS A 136 -4.458 7.414 -0.099 1.00 0.00 O ATOM 460 CB CYS A 136 -6.492 4.803 0.796 1.00 0.00 C ATOM 461 SG CYS A 136 -5.943 4.480 2.502 1.00 0.00 S ATOM 0 H CYS A 136 -7.845 6.244 -1.201 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.447 6.886 1.324 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.492 4.391 0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.835 4.272 0.107 1.00 0.00 H new ATOM 0 HG CYS A 136 -5.430 3.288 2.574 1.00 0.00 H new ATOM 466 N GLN A 137 -5.263 5.985 -1.640 1.00 0.00 N ATOM 467 CA GLN A 137 -4.170 6.208 -2.578 1.00 0.00 C ATOM 468 C GLN A 137 -2.819 6.025 -1.894 1.00 0.00 C ATOM 469 O GLN A 137 -2.015 6.955 -1.824 1.00 0.00 O ATOM 470 CB GLN A 137 -4.264 7.612 -3.179 1.00 0.00 C ATOM 471 CG GLN A 137 -5.525 7.841 -3.996 1.00 0.00 C ATOM 472 CD GLN A 137 -5.296 7.667 -5.484 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.137 8.644 -6.217 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.277 6.420 -5.939 1.00 0.00 N ATOM 0 H GLN A 137 -5.965 5.319 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.255 5.471 -3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.224 8.346 -2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.394 7.786 -3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.297 7.146 -3.667 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.899 8.847 -3.805 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.413 5.640 -5.296 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.126 6.242 -6.932 1.00 0.00 H new ATOM 483 N VAL A 138 -2.575 4.819 -1.390 1.00 0.00 N ATOM 484 CA VAL A 138 -1.321 4.513 -0.712 1.00 0.00 C ATOM 485 C VAL A 138 -0.631 3.312 -1.349 1.00 0.00 C ATOM 486 O VAL A 138 -1.216 2.234 -1.460 1.00 0.00 O ATOM 487 CB VAL A 138 -1.548 4.227 0.784 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.827 5.519 1.538 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.686 3.235 0.971 1.00 0.00 C ATOM 0 H VAL A 138 -3.229 4.038 -1.439 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.683 5.391 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.640 3.784 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.985 5.297 2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.977 6.193 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.719 5.993 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.832 3.045 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.602 3.647 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.441 2.301 0.466 1.00 0.00 H new ATOM 499 N TRP A 139 0.615 3.505 -1.765 1.00 0.00 N ATOM 500 CA TRP A 139 1.386 2.437 -2.391 1.00 0.00 C ATOM 501 C TRP A 139 2.084 1.581 -1.339 1.00 0.00 C ATOM 502 O TRP A 139 2.608 2.099 -0.354 1.00 0.00 O ATOM 503 CB TRP A 139 2.418 3.023 -3.356 1.00 0.00 C ATOM 504 CG TRP A 139 1.804 3.774 -4.498 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.937 4.827 -4.414 1.00 0.00 C ATOM 506 CD2 TRP A 139 2.009 3.530 -5.893 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.591 5.251 -5.675 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.236 4.472 -6.599 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.772 2.609 -6.616 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.204 4.517 -7.990 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.739 2.653 -7.996 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.960 3.602 -8.672 1.00 0.00 C ATOM 0 H TRP A 139 1.113 4.391 -1.680 1.00 0.00 H new ATOM 0 HA TRP A 139 0.696 1.804 -2.949 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.081 3.691 -2.806 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.035 2.216 -3.751 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.577 5.262 -3.493 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.043 6.021 -5.888 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.377 1.875 -6.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.604 5.248 -8.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.323 1.944 -8.564 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.956 3.612 -9.752 1.00 0.00 H new ATOM 523 N GLN A 140 2.086 0.270 -1.556 1.00 0.00 N ATOM 524 CA GLN A 140 2.719 -0.657 -0.625 1.00 0.00 C ATOM 525 C GLN A 140 3.535 -1.706 -1.372 1.00 0.00 C ATOM 526 O GLN A 140 3.389 -1.875 -2.583 1.00 0.00 O ATOM 527 CB GLN A 140 1.663 -1.340 0.246 1.00 0.00 C ATOM 528 CG GLN A 140 0.970 -0.395 1.215 1.00 0.00 C ATOM 529 CD GLN A 140 0.543 -1.084 2.497 1.00 0.00 C ATOM 530 OE1 GLN A 140 0.713 -2.294 2.651 1.00 0.00 O ATOM 531 NE2 GLN A 140 -0.014 -0.315 3.425 1.00 0.00 N ATOM 0 H GLN A 140 1.657 -0.174 -2.368 1.00 0.00 H new ATOM 0 HA GLN A 140 3.393 -0.086 0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 140 0.914 -1.800 -0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.134 -2.145 0.810 1.00 0.00 H new ATOM 0 HG2 GLN A 140 1.642 0.429 1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.095 0.038 0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -0.135 0.683 3.255 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.321 -0.723 4.308 1.00 0.00 H new ATOM 540 N HIS A 141 4.395 -2.410 -0.642 1.00 0.00 N ATOM 541 CA HIS A 141 5.234 -3.444 -1.236 1.00 0.00 C ATOM 542 C HIS A 141 4.468 -4.757 -1.368 1.00 0.00 C ATOM 543 O HIS A 141 4.130 -5.393 -0.368 1.00 0.00 O ATOM 544 CB HIS A 141 6.492 -3.656 -0.394 1.00 0.00 C ATOM 545 CG HIS A 141 7.363 -2.442 -0.301 1.00 0.00 C ATOM 546 ND1 HIS A 141 8.192 -2.189 0.771 1.00 0.00 N ATOM 547 CD2 HIS A 141 7.533 -1.407 -1.158 1.00 0.00 C ATOM 548 CE1 HIS A 141 8.832 -1.051 0.572 1.00 0.00 C ATOM 549 NE2 HIS A 141 8.451 -0.557 -0.592 1.00 0.00 N ATOM 0 H HIS A 141 4.529 -2.283 0.361 1.00 0.00 H new ATOM 0 HA HIS A 141 5.525 -3.112 -2.233 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.199 -3.961 0.611 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.070 -4.476 -0.820 1.00 0.00 H new ATOM 0 HD1 HIS A 141 8.295 -2.788 1.590 1.00 0.00 H new ATOM 0 HD2 HIS A 141 7.039 -1.275 -2.109 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.545 -0.601 1.246 1.00 0.00 H new ATOM 557 N LEU A 142 4.197 -5.157 -2.605 1.00 0.00 N ATOM 558 CA LEU A 142 3.470 -6.395 -2.867 1.00 0.00 C ATOM 559 C LEU A 142 4.118 -7.571 -2.144 1.00 0.00 C ATOM 560 O LEU A 142 3.431 -8.419 -1.577 1.00 0.00 O ATOM 561 CB LEU A 142 3.419 -6.671 -4.371 1.00 0.00 C ATOM 562 CG LEU A 142 2.112 -6.307 -5.076 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.200 -6.626 -6.560 1.00 0.00 C ATOM 564 CD2 LEU A 142 0.941 -7.042 -4.440 1.00 0.00 C ATOM 0 H LEU A 142 4.469 -4.643 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 142 2.454 -6.277 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.231 -6.123 -4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.612 -7.732 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 142 1.947 -5.235 -4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.261 -6.360 -7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.014 -6.055 -7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.388 -7.691 -6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.019 -6.771 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.099 -8.117 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.865 -6.765 -3.389 1.00 0.00 H new ATOM 576 N ASN A 143 5.447 -7.614 -2.168 1.00 0.00 N ATOM 577 CA ASN A 143 6.189 -8.685 -1.513 1.00 0.00 C ATOM 578 C ASN A 143 5.943 -8.676 -0.007 1.00 0.00 C ATOM 579 O ASN A 143 6.003 -9.716 0.649 1.00 0.00 O ATOM 580 CB ASN A 143 7.685 -8.545 -1.798 1.00 0.00 C ATOM 581 CG ASN A 143 8.089 -9.202 -3.104 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.809 -10.201 -3.112 1.00 0.00 O ATOM 583 ND2 ASN A 143 7.627 -8.643 -4.216 1.00 0.00 N ATOM 0 H ASN A 143 6.031 -6.920 -2.634 1.00 0.00 H new ATOM 0 HA ASN A 143 5.837 -9.635 -1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 143 7.949 -7.488 -1.830 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.251 -8.990 -0.980 1.00 0.00 H new ATOM 0 HD21 ASN A 143 7.866 -9.041 -5.124 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.033 -7.816 -4.162 1.00 0.00 H new ATOM 590 N CYS A 144 5.665 -7.494 0.534 1.00 0.00 N ATOM 591 CA CYS A 144 5.410 -7.348 1.962 1.00 0.00 C ATOM 592 C CYS A 144 3.980 -7.757 2.303 1.00 0.00 C ATOM 593 O CYS A 144 3.719 -8.308 3.372 1.00 0.00 O ATOM 594 CB CYS A 144 5.657 -5.903 2.400 1.00 0.00 C ATOM 595 SG CYS A 144 7.419 -5.468 2.565 1.00 0.00 S ATOM 0 H CYS A 144 5.611 -6.624 0.005 1.00 0.00 H new ATOM 0 HA CYS A 144 6.095 -8.005 2.498 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.194 -5.231 1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.161 -5.734 3.356 1.00 0.00 H new ATOM 0 HG CYS A 144 7.527 -4.305 3.136 1.00 0.00 H new ATOM 600 N VAL A 145 3.057 -7.482 1.387 1.00 0.00 N ATOM 601 CA VAL A 145 1.653 -7.822 1.589 1.00 0.00 C ATOM 602 C VAL A 145 1.293 -9.119 0.874 1.00 0.00 C ATOM 603 O VAL A 145 0.117 -9.448 0.715 1.00 0.00 O ATOM 604 CB VAL A 145 0.726 -6.699 1.089 1.00 0.00 C ATOM 605 CG1 VAL A 145 0.825 -5.481 1.996 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.061 -6.332 -0.348 1.00 0.00 C ATOM 0 H VAL A 145 3.256 -7.025 0.497 1.00 0.00 H new ATOM 0 HA VAL A 145 1.510 -7.950 2.662 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.302 -7.061 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.163 -4.698 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.531 -5.757 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 145 1.852 -5.115 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.396 -5.537 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.094 -5.989 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 145 0.933 -7.206 -0.986 1.00 0.00 H new ATOM 616 N LEU A 146 2.313 -9.854 0.444 1.00 0.00 N ATOM 617 CA LEU A 146 2.105 -11.118 -0.255 1.00 0.00 C ATOM 618 C LEU A 146 2.215 -12.296 0.707 1.00 0.00 C ATOM 619 O LEU A 146 3.274 -12.540 1.287 1.00 0.00 O ATOM 620 CB LEU A 146 3.123 -11.271 -1.386 1.00 0.00 C ATOM 621 CG LEU A 146 2.599 -11.014 -2.800 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.754 -10.832 -3.772 1.00 0.00 C ATOM 623 CD2 LEU A 146 1.697 -12.154 -3.249 1.00 0.00 C ATOM 0 H LEU A 146 3.292 -9.597 0.567 1.00 0.00 H new ATOM 0 HA LEU A 146 1.100 -11.111 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 146 3.951 -10.588 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.529 -12.282 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 146 2.012 -10.095 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.362 -10.650 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.361 -9.982 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.368 -11.733 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.333 -11.955 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 146 2.260 -13.087 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 146 0.850 -12.238 -2.568 1.00 0.00 H new ATOM 759 N GLU A 156 0.589 -15.212 -3.168 1.00 0.00 N ATOM 760 CA GLU A 156 -0.665 -14.987 -3.878 1.00 0.00 C ATOM 761 C GLU A 156 -0.908 -13.496 -4.094 1.00 0.00 C ATOM 762 O GLU A 156 -1.103 -12.743 -3.140 1.00 0.00 O ATOM 763 CB GLU A 156 -1.834 -15.598 -3.102 1.00 0.00 C ATOM 764 CG GLU A 156 -2.786 -16.403 -3.970 1.00 0.00 C ATOM 765 CD GLU A 156 -3.637 -15.527 -4.869 1.00 0.00 C ATOM 766 OE1 GLU A 156 -3.108 -15.025 -5.882 1.00 0.00 O ATOM 767 OE2 GLU A 156 -4.833 -15.345 -4.559 1.00 0.00 O ATOM 0 HA GLU A 156 -0.593 -15.471 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.440 -16.242 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -2.390 -14.799 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -2.213 -17.098 -4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -3.436 -17.002 -3.332 1.00 0.00 H new ATOM 774 N VAL A 157 -0.893 -13.076 -5.355 1.00 0.00 N ATOM 775 CA VAL A 157 -1.111 -11.676 -5.697 1.00 0.00 C ATOM 776 C VAL A 157 -2.530 -11.450 -6.209 1.00 0.00 C ATOM 777 O VAL A 157 -2.837 -11.672 -7.380 1.00 0.00 O ATOM 778 CB VAL A 157 -0.110 -11.196 -6.765 1.00 0.00 C ATOM 779 CG1 VAL A 157 -0.288 -9.710 -7.035 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.316 -11.501 -6.332 1.00 0.00 C ATOM 0 H VAL A 157 -0.732 -13.686 -6.157 1.00 0.00 H new ATOM 0 HA VAL A 157 -0.961 -11.100 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 157 -0.308 -11.735 -7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.428 -9.389 -7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.301 -9.524 -7.392 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.118 -9.150 -6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 157 2.011 -11.155 -7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.528 -10.990 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.433 -12.576 -6.195 1.00 0.00 H new ATOM 790 N PRO A 158 -3.417 -10.997 -5.311 1.00 0.00 N ATOM 791 CA PRO A 158 -4.819 -10.730 -5.648 1.00 0.00 C ATOM 792 C PRO A 158 -4.975 -9.518 -6.559 1.00 0.00 C ATOM 793 O PRO A 158 -4.073 -8.689 -6.690 1.00 0.00 O ATOM 794 CB PRO A 158 -5.466 -10.463 -4.287 1.00 0.00 C ATOM 795 CG PRO A 158 -4.350 -9.986 -3.424 1.00 0.00 C ATOM 796 CD PRO A 158 -3.121 -10.711 -3.897 1.00 0.00 C ATOM 0 HA PRO A 158 -5.271 -11.557 -6.195 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.255 -9.715 -4.364 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.922 -11.366 -3.881 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.224 -8.907 -3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.550 -10.200 -2.374 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.226 -10.098 -3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.950 -11.626 -3.329 1.00 0.00 H new ATOM 804 N PRO A 159 -6.145 -9.409 -7.206 1.00 0.00 N ATOM 805 CA PRO A 159 -6.446 -8.300 -8.115 1.00 0.00 C ATOM 806 C PRO A 159 -6.618 -6.976 -7.378 1.00 0.00 C ATOM 807 O PRO A 159 -6.100 -5.944 -7.806 1.00 0.00 O ATOM 808 CB PRO A 159 -7.765 -8.724 -8.767 1.00 0.00 C ATOM 809 CG PRO A 159 -8.397 -9.644 -7.780 1.00 0.00 C ATOM 810 CD PRO A 159 -7.264 -10.360 -7.098 1.00 0.00 C ATOM 0 HA PRO A 159 -5.639 -8.126 -8.827 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -8.402 -7.863 -8.969 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -7.593 -9.224 -9.720 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -8.999 -9.090 -7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -9.063 -10.350 -8.276 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.500 -10.587 -6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -7.035 -11.307 -7.587 1.00 0.00 H new ATOM 818 N VAL A 160 -7.348 -7.012 -6.268 1.00 0.00 N ATOM 819 CA VAL A 160 -7.587 -5.815 -5.471 1.00 0.00 C ATOM 820 C VAL A 160 -6.787 -5.851 -4.173 1.00 0.00 C ATOM 821 O VAL A 160 -6.845 -6.825 -3.422 1.00 0.00 O ATOM 822 CB VAL A 160 -9.082 -5.653 -5.135 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.623 -6.916 -4.484 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.297 -4.445 -4.236 1.00 0.00 C ATOM 0 H VAL A 160 -7.784 -7.857 -5.900 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.263 -4.965 -6.071 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.630 -5.489 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.680 -6.783 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.504 -7.757 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -9.074 -7.115 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.358 -4.345 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -8.738 -4.577 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -8.949 -3.546 -4.745 1.00 0.00 H new ATOM 834 N PHE A 161 -6.041 -4.782 -3.915 1.00 0.00 N ATOM 835 CA PHE A 161 -5.228 -4.691 -2.708 1.00 0.00 C ATOM 836 C PHE A 161 -5.713 -3.556 -1.810 1.00 0.00 C ATOM 837 O PHE A 161 -6.093 -2.488 -2.291 1.00 0.00 O ATOM 838 CB PHE A 161 -3.758 -4.474 -3.073 1.00 0.00 C ATOM 839 CG PHE A 161 -2.936 -3.918 -1.945 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.528 -4.731 -0.901 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.571 -2.581 -1.931 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.772 -4.221 0.138 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.816 -2.065 -0.894 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.415 -2.887 0.141 1.00 0.00 C ATOM 0 H PHE A 161 -5.983 -3.967 -4.525 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.325 -5.630 -2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.327 -5.423 -3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.700 -3.795 -3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.803 -5.775 -0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.880 -1.935 -2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.461 -4.865 0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.540 -1.021 -0.893 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.823 -2.487 0.951 1.00 0.00 H new ATOM 854 N TYR A 162 -5.698 -3.796 -0.504 1.00 0.00 N ATOM 855 CA TYR A 162 -6.138 -2.796 0.462 1.00 0.00 C ATOM 856 C TYR A 162 -5.143 -2.673 1.611 1.00 0.00 C ATOM 857 O TYR A 162 -4.938 -3.617 2.375 1.00 0.00 O ATOM 858 CB TYR A 162 -7.521 -3.158 1.007 1.00 0.00 C ATOM 859 CG TYR A 162 -8.636 -2.969 0.003 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.707 -1.823 -0.778 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.617 -3.938 -0.165 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.724 -1.646 -1.696 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.638 -3.771 -1.081 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.687 -2.623 -1.844 1.00 0.00 C ATOM 865 OH TYR A 162 -11.701 -2.451 -2.758 1.00 0.00 O ATOM 0 H TYR A 162 -5.386 -4.674 -0.090 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.195 -1.835 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.512 -4.197 1.336 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.727 -2.547 1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -7.954 -1.057 -0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.581 -4.838 0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.765 -0.748 -2.294 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -11.393 -4.534 -1.199 1.00 0.00 H new ATOM 0 HH TYR A 162 -12.294 -3.231 -2.739 1.00 0.00 H new ATOM 875 N CYS A 163 -4.526 -1.502 1.728 1.00 0.00 N ATOM 876 CA CYS A 163 -3.552 -1.252 2.783 1.00 0.00 C ATOM 877 C CYS A 163 -4.096 -1.688 4.141 1.00 0.00 C ATOM 878 O CYS A 163 -5.304 -1.840 4.316 1.00 0.00 O ATOM 879 CB CYS A 163 -3.181 0.232 2.823 1.00 0.00 C ATOM 880 SG CYS A 163 -4.561 1.331 3.279 1.00 0.00 S ATOM 0 H CYS A 163 -4.684 -0.711 1.104 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.659 -1.837 2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.368 0.373 3.535 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.803 0.528 1.844 1.00 0.00 H new ATOM 0 HG CYS A 163 -5.685 0.789 2.915 1.00 0.00 H new ATOM 885 N GLU A 164 -3.195 -1.886 5.097 1.00 0.00 N ATOM 886 CA GLU A 164 -3.585 -2.305 6.438 1.00 0.00 C ATOM 887 C GLU A 164 -4.688 -1.407 6.990 1.00 0.00 C ATOM 888 O GLU A 164 -5.673 -1.888 7.552 1.00 0.00 O ATOM 889 CB GLU A 164 -2.376 -2.281 7.376 1.00 0.00 C ATOM 890 CG GLU A 164 -1.621 -0.962 7.361 1.00 0.00 C ATOM 891 CD GLU A 164 -0.317 -1.028 8.133 1.00 0.00 C ATOM 892 OE1 GLU A 164 -0.103 -2.024 8.854 1.00 0.00 O ATOM 893 OE2 GLU A 164 0.490 -0.082 8.014 1.00 0.00 O ATOM 0 H GLU A 164 -2.191 -1.763 4.968 1.00 0.00 H new ATOM 0 HA GLU A 164 -3.967 -3.324 6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -2.711 -2.487 8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -1.694 -3.084 7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -1.414 -0.678 6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.252 -0.182 7.786 1.00 0.00 H new ATOM 900 N LEU A 165 -4.517 -0.100 6.825 1.00 0.00 N ATOM 901 CA LEU A 165 -5.498 0.867 7.306 1.00 0.00 C ATOM 902 C LEU A 165 -6.903 0.492 6.845 1.00 0.00 C ATOM 903 O LEU A 165 -7.843 0.471 7.640 1.00 0.00 O ATOM 904 CB LEU A 165 -5.144 2.270 6.811 1.00 0.00 C ATOM 905 CG LEU A 165 -3.687 2.698 6.992 1.00 0.00 C ATOM 906 CD1 LEU A 165 -3.127 3.250 5.690 1.00 0.00 C ATOM 907 CD2 LEU A 165 -3.568 3.729 8.105 1.00 0.00 C ATOM 0 H LEU A 165 -3.708 0.315 6.362 1.00 0.00 H new ATOM 0 HA LEU A 165 -5.478 0.857 8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -5.391 2.333 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -5.780 2.988 7.330 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.103 1.821 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -2.089 3.549 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -3.176 2.482 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -3.713 4.115 5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -2.524 4.022 8.220 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -4.165 4.606 7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -3.929 3.299 9.039 1.00 0.00 H new ATOM 919 N CYS A 166 -7.038 0.196 5.557 1.00 0.00 N ATOM 920 CA CYS A 166 -8.328 -0.180 4.990 1.00 0.00 C ATOM 921 C CYS A 166 -8.702 -1.605 5.388 1.00 0.00 C ATOM 922 O CYS A 166 -9.878 -1.920 5.574 1.00 0.00 O ATOM 923 CB CYS A 166 -8.293 -0.057 3.465 1.00 0.00 C ATOM 924 SG CYS A 166 -8.119 1.653 2.861 1.00 0.00 S ATOM 0 H CYS A 166 -6.270 0.209 4.886 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.083 0.499 5.386 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.464 -0.652 3.082 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.208 -0.484 3.056 1.00 0.00 H new ATOM 0 HG CYS A 166 -6.944 2.109 3.181 1.00 0.00 H new ATOM 929 N ARG A 167 -7.695 -2.462 5.517 1.00 0.00 N ATOM 930 CA ARG A 167 -7.918 -3.853 5.892 1.00 0.00 C ATOM 931 C ARG A 167 -8.487 -3.951 7.304 1.00 0.00 C ATOM 932 O ARG A 167 -9.303 -4.826 7.597 1.00 0.00 O ATOM 933 CB ARG A 167 -6.611 -4.644 5.801 1.00 0.00 C ATOM 934 CG ARG A 167 -6.457 -5.416 4.501 1.00 0.00 C ATOM 935 CD ARG A 167 -6.400 -6.916 4.748 1.00 0.00 C ATOM 936 NE ARG A 167 -5.045 -7.372 5.043 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.726 -8.644 5.251 1.00 0.00 C ATOM 938 NH1 ARG A 167 -5.661 -9.583 5.197 1.00 0.00 N ATOM 939 NH2 ARG A 167 -3.470 -8.981 5.514 1.00 0.00 N ATOM 0 H ARG A 167 -6.716 -2.217 5.367 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.642 -4.279 5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -5.772 -3.957 5.907 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.559 -5.342 6.637 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -7.292 -5.186 3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.549 -5.095 3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -7.057 -7.171 5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -6.776 -7.442 3.871 1.00 0.00 H new ATOM 0 HE ARG A 167 -4.302 -6.675 5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -6.628 -9.329 4.995 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -5.413 -10.559 5.357 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.747 -8.262 5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -3.227 -9.959 5.674 1.00 0.00 H new