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= -1.34 F(o=-3.3,f=-2) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.617 K(o=-2,f=-4.3!) USER MOD Set 2.1: A 131 CYS SG : rot 1:sc= -0.343 USER MOD Set 2.2: A 136 CYS SG : rot 145:sc= 1.05 USER MOD Set 2.3: A 163 CYS SG : rot -126:sc= 0.0653 USER MOD Set 2.4: A 166 CYS SG : rot 149:sc= 1.18 USER MOD Set 3.1: A 117 CYS SG : rot 161:sc= 0.547 USER MOD Set 3.2: A 119 CYS SG : rot -78:sc= -0.575 USER MOD Set 3.3: A 125 ASN : amide:sc= -3.64! C(o=-5!,f=-8.4!) USER MOD Set 3.4: A 141 HIS :FLIP no HE2:sc= -0.98 F(o=-6.5,f=-5) USER MOD Set 3.5: A 144 CYS SG : rot -169:sc= -0.395 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -54:sc= 0.911 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 -164:sc= -0.0026 (180deg=-0.128) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 158:sc= -0.106 (180deg=-1.23) USER MOD Single : A 134 GLN : amide:sc= 0.444 X(o=0.44,f=-0.00058) USER MOD Single : A 140 GLN : amide:sc= -1.56 K(o=-1.6,f=-4.1!) USER MOD Single : A 143 ASN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 112 -1.393 11.548 -4.294 1.00 0.00 N ATOM 94 CA GLU A 112 -1.932 10.359 -4.945 1.00 0.00 C ATOM 95 C GLU A 112 -0.961 9.188 -4.830 1.00 0.00 C ATOM 96 O GLU A 112 -1.370 8.028 -4.815 1.00 0.00 O ATOM 97 CB GLU A 112 -2.229 10.648 -6.418 1.00 0.00 C ATOM 98 CG GLU A 112 -3.609 11.236 -6.657 1.00 0.00 C ATOM 99 CD GLU A 112 -4.149 10.915 -8.037 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.809 9.839 -8.572 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.912 11.740 -8.581 1.00 0.00 O ATOM 0 HA GLU A 112 -2.860 10.089 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.478 11.338 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.134 9.723 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.298 10.854 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.566 12.318 -6.530 1.00 0.00 H new ATOM 108 N ALA A 113 0.328 9.502 -4.750 1.00 0.00 N ATOM 109 CA ALA A 113 1.358 8.477 -4.636 1.00 0.00 C ATOM 110 C ALA A 113 2.041 8.534 -3.273 1.00 0.00 C ATOM 111 O ALA A 113 3.100 9.143 -3.122 1.00 0.00 O ATOM 112 CB ALA A 113 2.384 8.633 -5.749 1.00 0.00 C ATOM 0 H ALA A 113 0.684 10.458 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 113 0.878 7.503 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.147 7.861 -5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.890 8.535 -6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.851 9.615 -5.678 1.00 0.00 H new ATOM 118 N LYS A 114 1.427 7.896 -2.282 1.00 0.00 N ATOM 119 CA LYS A 114 1.974 7.873 -0.931 1.00 0.00 C ATOM 120 C LYS A 114 2.419 6.465 -0.548 1.00 0.00 C ATOM 121 O LYS A 114 1.591 5.585 -0.310 1.00 0.00 O ATOM 122 CB LYS A 114 0.936 8.381 0.071 1.00 0.00 C ATOM 123 CG LYS A 114 1.341 8.182 1.521 1.00 0.00 C ATOM 124 CD LYS A 114 0.965 9.382 2.375 1.00 0.00 C ATOM 125 CE LYS A 114 1.785 9.434 3.654 1.00 0.00 C ATOM 126 NZ LYS A 114 0.939 9.242 4.865 1.00 0.00 N ATOM 0 H LYS A 114 0.549 7.388 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 114 2.844 8.529 -0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.762 9.442 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.009 7.868 -0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.858 7.288 1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.417 8.015 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.119 10.298 1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.095 9.336 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.555 8.663 3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.298 10.394 3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.536 9.284 5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.220 9.992 4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.470 8.315 4.817 1.00 0.00 H new ATOM 140 N VAL A 115 3.731 6.259 -0.490 1.00 0.00 N ATOM 141 CA VAL A 115 4.285 4.958 -0.133 1.00 0.00 C ATOM 142 C VAL A 115 4.286 4.757 1.379 1.00 0.00 C ATOM 143 O VAL A 115 5.063 5.385 2.098 1.00 0.00 O ATOM 144 CB VAL A 115 5.723 4.797 -0.662 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.206 3.368 -0.467 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.799 5.199 -2.127 1.00 0.00 C ATOM 0 H VAL A 115 4.430 6.976 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 115 3.648 4.204 -0.596 1.00 0.00 H new ATOM 0 HB VAL A 115 6.378 5.457 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.223 3.273 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.190 3.120 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.551 2.686 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.822 5.079 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.133 4.566 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.497 6.241 -2.235 1.00 0.00 H new ATOM 156 N ARG A 116 3.411 3.877 1.853 1.00 0.00 N ATOM 157 CA ARG A 116 3.310 3.594 3.280 1.00 0.00 C ATOM 158 C ARG A 116 3.291 2.089 3.535 1.00 0.00 C ATOM 159 O ARG A 116 2.231 1.462 3.535 1.00 0.00 O ATOM 160 CB ARG A 116 2.049 4.236 3.861 1.00 0.00 C ATOM 161 CG ARG A 116 2.319 5.518 4.633 1.00 0.00 C ATOM 162 CD ARG A 116 2.365 5.266 6.132 1.00 0.00 C ATOM 163 NE ARG A 116 1.268 5.929 6.832 1.00 0.00 N ATOM 164 CZ ARG A 116 1.224 6.083 8.151 1.00 0.00 C ATOM 165 NH1 ARG A 116 2.210 5.624 8.908 1.00 0.00 N ATOM 166 NH2 ARG A 116 0.192 6.698 8.714 1.00 0.00 N ATOM 0 H ARG A 116 2.762 3.348 1.271 1.00 0.00 H new ATOM 0 HA ARG A 116 4.185 4.018 3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.353 4.450 3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.558 3.521 4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.266 5.948 4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.542 6.249 4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 116 2.320 4.193 6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.316 5.620 6.530 1.00 0.00 H new ATOM 0 HE ARG A 116 0.493 6.294 6.278 1.00 0.00 H new ATOM 0 HH11 ARG A 116 3.005 5.151 8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 116 2.174 5.744 9.920 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -0.568 7.053 8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.159 6.816 9.727 1.00 0.00 H new ATOM 180 N CYS A 117 4.470 1.516 3.751 1.00 0.00 N ATOM 181 CA CYS A 117 4.590 0.086 4.006 1.00 0.00 C ATOM 182 C CYS A 117 5.007 -0.176 5.450 1.00 0.00 C ATOM 183 O CYS A 117 5.600 0.685 6.101 1.00 0.00 O ATOM 184 CB CYS A 117 5.606 -0.541 3.049 1.00 0.00 C ATOM 185 SG CYS A 117 5.544 -2.360 2.985 1.00 0.00 S ATOM 0 H CYS A 117 5.356 2.021 3.754 1.00 0.00 H new ATOM 0 HA CYS A 117 3.614 -0.370 3.839 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.436 -0.147 2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.608 -0.233 3.347 1.00 0.00 H new ATOM 0 HG CYS A 117 6.122 -2.776 1.897 1.00 0.00 H new ATOM 190 N ILE A 118 4.694 -1.369 5.944 1.00 0.00 N ATOM 191 CA ILE A 118 5.038 -1.744 7.310 1.00 0.00 C ATOM 192 C ILE A 118 6.544 -1.680 7.535 1.00 0.00 C ATOM 193 O ILE A 118 7.010 -1.574 8.670 1.00 0.00 O ATOM 194 CB ILE A 118 4.539 -3.162 7.647 1.00 0.00 C ATOM 195 CG1 ILE A 118 4.962 -4.147 6.555 1.00 0.00 C ATOM 196 CG2 ILE A 118 3.027 -3.166 7.814 1.00 0.00 C ATOM 197 CD1 ILE A 118 4.836 -5.597 6.968 1.00 0.00 C ATOM 0 H ILE A 118 4.203 -2.092 5.419 1.00 0.00 H new ATOM 0 HA ILE A 118 4.545 -1.028 7.968 1.00 0.00 H new ATOM 0 HB ILE A 118 4.990 -3.476 8.589 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.353 -3.976 5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.996 -3.946 6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.690 -4.175 8.052 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.748 -2.490 8.623 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.558 -2.836 6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.153 -6.238 6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.466 -5.784 7.837 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.798 -5.815 7.219 1.00 0.00 H new ATOM 209 N CYS A 119 7.303 -1.744 6.446 1.00 0.00 N ATOM 210 CA CYS A 119 8.758 -1.692 6.523 1.00 0.00 C ATOM 211 C CYS A 119 9.248 -0.248 6.586 1.00 0.00 C ATOM 212 O CYS A 119 10.444 0.006 6.730 1.00 0.00 O ATOM 213 CB CYS A 119 9.379 -2.401 5.317 1.00 0.00 C ATOM 214 SG CYS A 119 8.996 -1.620 3.717 1.00 0.00 S ATOM 0 H CYS A 119 6.934 -1.832 5.499 1.00 0.00 H new ATOM 0 HA CYS A 119 9.067 -2.202 7.435 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.461 -2.431 5.445 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.031 -3.434 5.298 1.00 0.00 H new ATOM 0 HG CYS A 119 7.792 -1.946 3.352 1.00 0.00 H new ATOM 219 N SER A 120 8.316 0.693 6.476 1.00 0.00 N ATOM 220 CA SER A 120 8.653 2.111 6.517 1.00 0.00 C ATOM 221 C SER A 120 9.745 2.439 5.503 1.00 0.00 C ATOM 222 O SER A 120 10.643 3.236 5.777 1.00 0.00 O ATOM 223 CB SER A 120 9.110 2.508 7.922 1.00 0.00 C ATOM 224 OG SER A 120 10.472 2.176 8.128 1.00 0.00 O ATOM 0 H SER A 120 7.322 0.499 6.358 1.00 0.00 H new ATOM 0 HA SER A 120 7.759 2.679 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.968 3.579 8.065 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.493 2.003 8.665 1.00 0.00 H new ATOM 0 HG SER A 120 10.610 1.226 7.932 1.00 0.00 H new ATOM 230 N SER A 121 9.661 1.819 4.330 1.00 0.00 N ATOM 231 CA SER A 121 10.643 2.041 3.276 1.00 0.00 C ATOM 232 C SER A 121 9.960 2.455 1.976 1.00 0.00 C ATOM 233 O SER A 121 9.209 1.682 1.381 1.00 0.00 O ATOM 234 CB SER A 121 11.474 0.776 3.048 1.00 0.00 C ATOM 235 OG SER A 121 12.643 1.062 2.301 1.00 0.00 O ATOM 0 H SER A 121 8.923 1.159 4.086 1.00 0.00 H new ATOM 0 HA SER A 121 11.303 2.848 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.750 0.340 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.875 0.033 2.521 1.00 0.00 H new ATOM 0 HG SER A 121 13.157 0.238 2.170 1.00 0.00 H new ATOM 241 N THR A 122 10.227 3.683 1.540 1.00 0.00 N ATOM 242 CA THR A 122 9.638 4.202 0.312 1.00 0.00 C ATOM 243 C THR A 122 10.571 3.993 -0.876 1.00 0.00 C ATOM 244 O THR A 122 10.581 4.786 -1.817 1.00 0.00 O ATOM 245 CB THR A 122 9.312 5.702 0.436 1.00 0.00 C ATOM 246 OG1 THR A 122 10.523 6.465 0.471 1.00 0.00 O ATOM 247 CG2 THR A 122 8.497 5.977 1.690 1.00 0.00 C ATOM 0 H THR A 122 10.847 4.336 2.019 1.00 0.00 H new ATOM 0 HA THR A 122 8.713 3.649 0.146 1.00 0.00 H new ATOM 0 HB THR A 122 8.723 5.996 -0.432 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.307 7.418 0.548 1.00 0.00 H new ATOM 0 HG21 THR A 122 8.279 7.043 1.756 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.563 5.418 1.647 1.00 0.00 H new ATOM 0 HG23 THR A 122 9.064 5.668 2.568 1.00 0.00 H new ATOM 255 N MET A 123 11.353 2.919 -0.827 1.00 0.00 N ATOM 256 CA MET A 123 12.288 2.605 -1.901 1.00 0.00 C ATOM 257 C MET A 123 11.602 1.802 -3.001 1.00 0.00 C ATOM 258 O MET A 123 10.412 1.501 -2.914 1.00 0.00 O ATOM 259 CB MET A 123 13.484 1.824 -1.353 1.00 0.00 C ATOM 260 CG MET A 123 14.782 2.614 -1.363 1.00 0.00 C ATOM 261 SD MET A 123 15.815 2.235 -2.791 1.00 0.00 S ATOM 262 CE MET A 123 16.420 0.608 -2.349 1.00 0.00 C ATOM 0 H MET A 123 11.358 2.252 -0.055 1.00 0.00 H new ATOM 0 HA MET A 123 12.641 3.544 -2.328 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.266 1.512 -0.332 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.616 0.917 -1.943 1.00 0.00 H new ATOM 0 HG2 MET A 123 14.554 3.680 -1.357 1.00 0.00 H new ATOM 0 HG3 MET A 123 15.339 2.402 -0.450 1.00 0.00 H new ATOM 0 HE1 MET A 123 17.278 0.357 -2.973 1.00 0.00 H new ATOM 0 HE2 MET A 123 16.720 0.604 -1.301 1.00 0.00 H new ATOM 0 HE3 MET A 123 15.631 -0.128 -2.503 1.00 0.00 H new ATOM 272 N VAL A 124 12.361 1.459 -4.037 1.00 0.00 N ATOM 273 CA VAL A 124 11.826 0.690 -5.155 1.00 0.00 C ATOM 274 C VAL A 124 12.049 -0.805 -4.950 1.00 0.00 C ATOM 275 O VAL A 124 13.063 -1.355 -5.377 1.00 0.00 O ATOM 276 CB VAL A 124 12.468 1.116 -6.488 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.752 0.462 -7.659 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.456 2.631 -6.624 1.00 0.00 C ATOM 0 H VAL A 124 13.348 1.701 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 124 10.756 0.893 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 124 13.505 0.781 -6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.220 0.775 -8.592 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.817 -0.622 -7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.705 0.763 -7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.913 2.915 -7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.427 2.991 -6.595 1.00 0.00 H new ATOM 0 HG23 VAL A 124 13.018 3.075 -5.802 1.00 0.00 H new ATOM 288 N ASN A 125 11.094 -1.456 -4.295 1.00 0.00 N ATOM 289 CA ASN A 125 11.186 -2.888 -4.034 1.00 0.00 C ATOM 290 C ASN A 125 11.026 -3.688 -5.323 1.00 0.00 C ATOM 291 O ASN A 125 11.057 -3.129 -6.420 1.00 0.00 O ATOM 292 CB ASN A 125 10.121 -3.312 -3.021 1.00 0.00 C ATOM 293 CG ASN A 125 8.761 -3.515 -3.663 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.219 -2.607 -4.294 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.204 -4.709 -3.503 1.00 0.00 N ATOM 0 H ASN A 125 10.248 -1.015 -3.935 1.00 0.00 H new ATOM 0 HA ASN A 125 12.173 -3.094 -3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.433 -4.237 -2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.042 -2.554 -2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.290 -4.904 -3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.690 -5.432 -2.972 1.00 0.00 H new ATOM 302 N ASP A 126 10.854 -4.997 -5.183 1.00 0.00 N ATOM 303 CA ASP A 126 10.686 -5.874 -6.336 1.00 0.00 C ATOM 304 C ASP A 126 9.449 -5.486 -7.139 1.00 0.00 C ATOM 305 O ASP A 126 9.458 -5.526 -8.369 1.00 0.00 O ATOM 306 CB ASP A 126 10.579 -7.331 -5.884 1.00 0.00 C ATOM 307 CG ASP A 126 11.487 -8.252 -6.676 1.00 0.00 C ATOM 308 OD1 ASP A 126 11.319 -8.330 -7.911 1.00 0.00 O ATOM 309 OD2 ASP A 126 12.364 -8.895 -6.062 1.00 0.00 O ATOM 0 H ASP A 126 10.827 -5.475 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 126 11.562 -5.763 -6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.831 -7.399 -4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.547 -7.666 -5.988 1.00 0.00 H new ATOM 314 N SER A 127 8.386 -5.111 -6.434 1.00 0.00 N ATOM 315 CA SER A 127 7.139 -4.720 -7.082 1.00 0.00 C ATOM 316 C SER A 127 6.231 -3.977 -6.107 1.00 0.00 C ATOM 317 O SER A 127 5.935 -4.469 -5.019 1.00 0.00 O ATOM 318 CB SER A 127 6.417 -5.952 -7.631 1.00 0.00 C ATOM 319 OG SER A 127 5.828 -5.678 -8.890 1.00 0.00 O ATOM 0 H SER A 127 8.363 -5.070 -5.415 1.00 0.00 H new ATOM 0 HA SER A 127 7.381 -4.051 -7.908 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.122 -6.778 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.648 -6.270 -6.927 1.00 0.00 H new ATOM 0 HG SER A 127 5.374 -6.481 -9.221 1.00 0.00 H new ATOM 325 N MET A 128 5.792 -2.788 -6.507 1.00 0.00 N ATOM 326 CA MET A 128 4.916 -1.976 -5.669 1.00 0.00 C ATOM 327 C MET A 128 3.468 -2.080 -6.136 1.00 0.00 C ATOM 328 O MET A 128 3.197 -2.505 -7.260 1.00 0.00 O ATOM 329 CB MET A 128 5.367 -0.514 -5.689 1.00 0.00 C ATOM 330 CG MET A 128 6.859 -0.335 -5.460 1.00 0.00 C ATOM 331 SD MET A 128 7.404 1.363 -5.726 1.00 0.00 S ATOM 332 CE MET A 128 7.573 1.932 -4.036 1.00 0.00 C ATOM 0 H MET A 128 6.028 -2.366 -7.405 1.00 0.00 H new ATOM 0 HA MET A 128 4.978 -2.354 -4.648 1.00 0.00 H new ATOM 0 HB2 MET A 128 5.100 -0.073 -6.649 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.821 0.036 -4.923 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.105 -0.636 -4.442 1.00 0.00 H new ATOM 0 HG3 MET A 128 7.407 -0.998 -6.130 1.00 0.00 H new ATOM 0 HE1 MET A 128 8.250 2.786 -4.006 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.597 2.229 -3.653 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.975 1.128 -3.420 1.00 0.00 H new ATOM 342 N ILE A 129 2.541 -1.691 -5.268 1.00 0.00 N ATOM 343 CA ILE A 129 1.121 -1.740 -5.593 1.00 0.00 C ATOM 344 C ILE A 129 0.350 -0.650 -4.856 1.00 0.00 C ATOM 345 O ILE A 129 0.580 -0.407 -3.671 1.00 0.00 O ATOM 346 CB ILE A 129 0.510 -3.110 -5.244 1.00 0.00 C ATOM 347 CG1 ILE A 129 -1.000 -3.096 -5.485 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.818 -3.474 -3.799 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.649 -4.454 -5.333 1.00 0.00 C ATOM 0 H ILE A 129 2.748 -1.338 -4.334 1.00 0.00 H new ATOM 0 HA ILE A 129 1.038 -1.577 -6.668 1.00 0.00 H new ATOM 0 HB ILE A 129 0.955 -3.865 -5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.465 -2.400 -4.787 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.196 -2.719 -6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.380 -4.445 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.898 -3.520 -3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.397 -2.718 -3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.720 -4.368 -5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.211 -5.149 -6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.484 -4.825 -4.321 1.00 0.00 H new ATOM 361 N GLN A 130 -0.566 0.002 -5.564 1.00 0.00 N ATOM 362 CA GLN A 130 -1.372 1.065 -4.976 1.00 0.00 C ATOM 363 C GLN A 130 -2.653 0.505 -4.368 1.00 0.00 C ATOM 364 O GLN A 130 -3.220 -0.464 -4.874 1.00 0.00 O ATOM 365 CB GLN A 130 -1.712 2.119 -6.032 1.00 0.00 C ATOM 366 CG GLN A 130 -2.636 3.214 -5.522 1.00 0.00 C ATOM 367 CD GLN A 130 -2.438 4.529 -6.249 1.00 0.00 C ATOM 368 OE1 GLN A 130 -2.516 5.631 -5.512 1.00 0.00 O flip ATOM 369 NE2 GLN A 130 -2.217 4.556 -7.460 1.00 0.00 N flip ATOM 0 H GLN A 130 -0.769 -0.187 -6.546 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.789 1.531 -4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.788 2.573 -6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -2.180 1.629 -6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.671 2.893 -5.635 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.463 3.363 -4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.165 3.685 -7.988 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.086 5.449 -7.935 1.00 0.00 H new ATOM 378 N CYS A 131 -3.105 1.120 -3.281 1.00 0.00 N ATOM 379 CA CYS A 131 -4.319 0.683 -2.602 1.00 0.00 C ATOM 380 C CYS A 131 -5.527 0.787 -3.529 1.00 0.00 C ATOM 381 O CYS A 131 -5.557 1.620 -4.434 1.00 0.00 O ATOM 382 CB CYS A 131 -4.554 1.519 -1.343 1.00 0.00 C ATOM 383 SG CYS A 131 -5.927 0.927 -0.303 1.00 0.00 S ATOM 0 H CYS A 131 -2.648 1.924 -2.851 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.191 -0.361 -2.317 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.640 1.527 -0.749 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.753 2.550 -1.636 1.00 0.00 H new ATOM 0 HG CYS A 131 -6.453 -0.133 -0.841 1.00 0.00 H new ATOM 388 N GLU A 132 -6.522 -0.063 -3.293 1.00 0.00 N ATOM 389 CA GLU A 132 -7.732 -0.066 -4.107 1.00 0.00 C ATOM 390 C GLU A 132 -8.772 0.895 -3.538 1.00 0.00 C ATOM 391 O GLU A 132 -9.955 0.815 -3.872 1.00 0.00 O ATOM 392 CB GLU A 132 -8.316 -1.478 -4.187 1.00 0.00 C ATOM 393 CG GLU A 132 -8.186 -2.114 -5.561 1.00 0.00 C ATOM 394 CD GLU A 132 -9.195 -1.570 -6.553 1.00 0.00 C ATOM 395 OE1 GLU A 132 -9.239 -0.336 -6.739 1.00 0.00 O ATOM 396 OE2 GLU A 132 -9.940 -2.379 -7.145 1.00 0.00 O ATOM 0 H GLU A 132 -6.514 -0.757 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.465 0.266 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.816 -2.111 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.370 -1.442 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.179 -1.944 -5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.315 -3.193 -5.472 1.00 0.00 H new ATOM 403 N ASP A 133 -8.323 1.803 -2.679 1.00 0.00 N ATOM 404 CA ASP A 133 -9.213 2.780 -2.064 1.00 0.00 C ATOM 405 C ASP A 133 -8.849 4.196 -2.498 1.00 0.00 C ATOM 406 O ASP A 133 -7.784 4.706 -2.153 1.00 0.00 O ATOM 407 CB ASP A 133 -9.152 2.669 -0.539 1.00 0.00 C ATOM 408 CG ASP A 133 -9.915 3.781 0.153 1.00 0.00 C ATOM 409 OD1 ASP A 133 -10.819 4.364 -0.481 1.00 0.00 O ATOM 410 OD2 ASP A 133 -9.608 4.069 1.329 1.00 0.00 O ATOM 0 H ASP A 133 -7.347 1.883 -2.393 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.229 2.568 -2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.560 1.706 -0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.111 2.692 -0.217 1.00 0.00 H new ATOM 415 N GLN A 134 -9.741 4.824 -3.258 1.00 0.00 N ATOM 416 CA GLN A 134 -9.512 6.181 -3.741 1.00 0.00 C ATOM 417 C GLN A 134 -9.327 7.149 -2.577 1.00 0.00 C ATOM 418 O GLN A 134 -8.711 8.204 -2.727 1.00 0.00 O ATOM 419 CB GLN A 134 -10.680 6.637 -4.617 1.00 0.00 C ATOM 420 CG GLN A 134 -10.562 8.077 -5.088 1.00 0.00 C ATOM 421 CD GLN A 134 -11.528 9.005 -4.378 1.00 0.00 C ATOM 422 OE1 GLN A 134 -12.669 9.178 -4.807 1.00 0.00 O ATOM 423 NE2 GLN A 134 -11.075 9.607 -3.284 1.00 0.00 N ATOM 0 H GLN A 134 -10.628 4.415 -3.552 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.599 6.178 -4.337 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.748 5.984 -5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.609 6.521 -4.058 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -9.542 8.426 -4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -10.746 8.120 -6.162 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -10.122 9.434 -2.964 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -11.680 10.242 -2.764 1.00 0.00 H new ATOM 432 N ARG A 135 -9.863 6.783 -1.417 1.00 0.00 N ATOM 433 CA ARG A 135 -9.758 7.620 -0.229 1.00 0.00 C ATOM 434 C ARG A 135 -8.470 7.322 0.533 1.00 0.00 C ATOM 435 O ARG A 135 -8.263 7.816 1.642 1.00 0.00 O ATOM 436 CB ARG A 135 -10.965 7.400 0.685 1.00 0.00 C ATOM 437 CG ARG A 135 -12.233 8.080 0.193 1.00 0.00 C ATOM 438 CD ARG A 135 -13.396 7.846 1.144 1.00 0.00 C ATOM 439 NE ARG A 135 -14.523 8.729 0.857 1.00 0.00 N ATOM 440 CZ ARG A 135 -15.683 8.674 1.504 1.00 0.00 C ATOM 441 NH1 ARG A 135 -15.866 7.782 2.468 1.00 0.00 N ATOM 442 NH2 ARG A 135 -16.661 9.511 1.186 1.00 0.00 N ATOM 0 H ARG A 135 -10.374 5.912 -1.275 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.739 8.662 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.149 6.330 0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.727 7.771 1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.056 9.151 0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.489 7.702 -0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -13.721 6.808 1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.063 8.005 2.170 1.00 0.00 H new ATOM 0 HE ARG A 135 -14.414 9.426 0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -15.116 7.136 2.714 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -16.757 7.742 2.963 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -16.524 10.198 0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -17.551 9.468 1.683 1.00 0.00 H new ATOM 456 N CYS A 136 -7.607 6.511 -0.068 1.00 0.00 N ATOM 457 CA CYS A 136 -6.339 6.145 0.553 1.00 0.00 C ATOM 458 C CYS A 136 -5.167 6.480 -0.366 1.00 0.00 C ATOM 459 O CYS A 136 -4.282 7.252 -0.001 1.00 0.00 O ATOM 460 CB CYS A 136 -6.325 4.654 0.893 1.00 0.00 C ATOM 461 SG CYS A 136 -5.828 4.287 2.607 1.00 0.00 S ATOM 0 H CYS A 136 -7.762 6.094 -0.986 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.233 6.721 1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.319 4.243 0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.645 4.143 0.211 1.00 0.00 H new ATOM 0 HG CYS A 136 -6.488 3.253 3.038 1.00 0.00 H new ATOM 466 N GLN A 137 -5.171 5.892 -1.558 1.00 0.00 N ATOM 467 CA GLN A 137 -4.108 6.128 -2.528 1.00 0.00 C ATOM 468 C GLN A 137 -2.737 5.905 -1.898 1.00 0.00 C ATOM 469 O GLN A 137 -1.847 6.749 -2.007 1.00 0.00 O ATOM 470 CB GLN A 137 -4.202 7.550 -3.084 1.00 0.00 C ATOM 471 CG GLN A 137 -5.515 7.841 -3.792 1.00 0.00 C ATOM 472 CD GLN A 137 -5.396 7.754 -5.301 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.292 8.772 -5.986 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.412 6.535 -5.827 1.00 0.00 N ATOM 0 H GLN A 137 -5.897 5.250 -1.875 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.232 5.417 -3.345 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.074 8.260 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.379 7.714 -3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.272 7.135 -3.450 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.860 8.837 -3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.500 5.719 -5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.336 6.414 -6.837 1.00 0.00 H new ATOM 483 N VAL A 138 -2.573 4.762 -1.239 1.00 0.00 N ATOM 484 CA VAL A 138 -1.310 4.428 -0.592 1.00 0.00 C ATOM 485 C VAL A 138 -0.636 3.246 -1.279 1.00 0.00 C ATOM 486 O VAL A 138 -1.243 2.189 -1.456 1.00 0.00 O ATOM 487 CB VAL A 138 -1.514 4.093 0.898 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.996 5.318 1.660 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.491 2.938 1.055 1.00 0.00 C ATOM 0 H VAL A 138 -3.299 4.052 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.670 5.306 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.556 3.788 1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.134 5.062 2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.256 6.114 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.943 5.657 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.623 2.715 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.452 3.212 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.099 2.058 0.545 1.00 0.00 H new ATOM 499 N TRP A 139 0.621 3.431 -1.666 1.00 0.00 N ATOM 500 CA TRP A 139 1.377 2.378 -2.334 1.00 0.00 C ATOM 501 C TRP A 139 2.139 1.529 -1.323 1.00 0.00 C ATOM 502 O TRP A 139 2.623 2.038 -0.312 1.00 0.00 O ATOM 503 CB TRP A 139 2.352 2.986 -3.345 1.00 0.00 C ATOM 504 CG TRP A 139 1.670 3.725 -4.457 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.781 4.754 -4.333 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.820 3.489 -5.861 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.370 5.172 -5.575 1.00 0.00 N ATOM 508 CE2 TRP A 139 0.994 4.413 -6.530 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.575 2.589 -6.619 1.00 0.00 C ATOM 510 CZ2 TRP A 139 0.901 4.459 -7.918 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.481 2.636 -7.996 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.650 3.567 -8.635 1.00 0.00 C ATOM 0 H TRP A 139 1.138 4.300 -1.529 1.00 0.00 H new ATOM 0 HA TRP A 139 0.671 1.736 -2.860 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.026 3.667 -2.825 1.00 0.00 H new ATOM 0 HB3 TRP A 139 2.967 2.192 -3.769 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.450 5.177 -3.396 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.293 5.926 -5.757 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.220 1.870 -6.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.260 5.174 -8.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.058 1.943 -8.591 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.600 3.580 -9.714 1.00 0.00 H new ATOM 523 N GLN A 140 2.242 0.234 -1.602 1.00 0.00 N ATOM 524 CA GLN A 140 2.945 -0.685 -0.715 1.00 0.00 C ATOM 525 C GLN A 140 3.702 -1.741 -1.514 1.00 0.00 C ATOM 526 O GLN A 140 3.435 -1.949 -2.698 1.00 0.00 O ATOM 527 CB GLN A 140 1.959 -1.361 0.240 1.00 0.00 C ATOM 528 CG GLN A 140 1.386 -0.421 1.288 1.00 0.00 C ATOM 529 CD GLN A 140 0.917 -1.151 2.532 1.00 0.00 C ATOM 530 OE1 GLN A 140 1.150 -2.350 2.687 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.250 -0.430 3.426 1.00 0.00 N ATOM 0 H GLN A 140 1.848 -0.203 -2.435 1.00 0.00 H new ATOM 0 HA GLN A 140 3.666 -0.109 -0.134 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.140 -1.789 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.461 -2.188 0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 140 2.143 0.313 1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.550 0.131 0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.079 0.561 3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.091 -0.868 4.282 1.00 0.00 H new ATOM 540 N HIS A 141 4.649 -2.405 -0.858 1.00 0.00 N ATOM 541 CA HIS A 141 5.445 -3.440 -1.508 1.00 0.00 C ATOM 542 C HIS A 141 4.657 -4.742 -1.621 1.00 0.00 C ATOM 543 O HIS A 141 4.216 -5.302 -0.616 1.00 0.00 O ATOM 544 CB HIS A 141 6.740 -3.680 -0.731 1.00 0.00 C ATOM 545 CG HIS A 141 7.590 -2.455 -0.590 1.00 0.00 C ATOM 546 ND1 HIS A 141 7.827 -1.438 -1.451 1.00 0.00 N flip ATOM 547 CD2 HIS A 141 8.318 -2.171 0.546 1.00 0.00 C flip ATOM 548 CE1 HIS A 141 8.684 -0.567 -0.826 1.00 0.00 C flip ATOM 549 NE2 HIS A 141 8.965 -1.031 0.378 1.00 0.00 N flip ATOM 0 H HIS A 141 4.883 -2.245 0.122 1.00 0.00 H new ATOM 0 HA HIS A 141 5.691 -3.097 -2.513 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.494 -4.058 0.261 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.317 -4.457 -1.233 1.00 0.00 H new ATOM 0 HD1 HIS A 141 7.441 -1.338 -2.390 1.00 0.00 H new ATOM 0 HD2 HIS A 141 8.354 -2.784 1.434 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.067 0.350 -1.250 1.00 0.00 H new ATOM 557 N LEU A 142 4.482 -5.217 -2.849 1.00 0.00 N ATOM 558 CA LEU A 142 3.746 -6.453 -3.093 1.00 0.00 C ATOM 559 C LEU A 142 4.321 -7.601 -2.271 1.00 0.00 C ATOM 560 O LEU A 142 3.581 -8.396 -1.694 1.00 0.00 O ATOM 561 CB LEU A 142 3.784 -6.806 -4.581 1.00 0.00 C ATOM 562 CG LEU A 142 2.600 -6.320 -5.417 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.834 -6.607 -6.892 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.309 -6.973 -4.944 1.00 0.00 C ATOM 0 H LEU A 142 4.839 -4.766 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 142 2.711 -6.297 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.698 -6.394 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.849 -7.890 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 142 2.508 -5.242 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.981 -6.254 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.736 -6.093 -7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.953 -7.680 -7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.477 -6.615 -5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.391 -8.055 -5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.133 -6.717 -3.899 1.00 0.00 H new ATOM 576 N ASN A 143 5.647 -7.681 -2.221 1.00 0.00 N ATOM 577 CA ASN A 143 6.322 -8.731 -1.468 1.00 0.00 C ATOM 578 C ASN A 143 6.025 -8.608 0.023 1.00 0.00 C ATOM 579 O ASN A 143 6.182 -9.566 0.780 1.00 0.00 O ATOM 580 CB ASN A 143 7.833 -8.668 -1.706 1.00 0.00 C ATOM 581 CG ASN A 143 8.275 -9.551 -2.857 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.646 -10.708 -2.659 1.00 0.00 O ATOM 583 ND2 ASN A 143 8.236 -9.007 -4.068 1.00 0.00 N ATOM 0 H ASN A 143 6.275 -7.031 -2.693 1.00 0.00 H new ATOM 0 HA ASN A 143 5.946 -9.693 -1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.123 -7.637 -1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.354 -8.972 -0.798 1.00 0.00 H new ATOM 0 HD21 ASN A 143 8.521 -9.552 -4.882 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.921 -8.044 -4.185 1.00 0.00 H new ATOM 590 N CYS A 144 5.595 -7.421 0.439 1.00 0.00 N ATOM 591 CA CYS A 144 5.275 -7.171 1.839 1.00 0.00 C ATOM 592 C CYS A 144 3.802 -7.454 2.120 1.00 0.00 C ATOM 593 O CYS A 144 3.437 -7.868 3.220 1.00 0.00 O ATOM 594 CB CYS A 144 5.607 -5.724 2.209 1.00 0.00 C ATOM 595 SG CYS A 144 7.380 -5.419 2.499 1.00 0.00 S ATOM 0 H CYS A 144 5.460 -6.617 -0.174 1.00 0.00 H new ATOM 0 HA CYS A 144 5.879 -7.843 2.449 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.262 -5.068 1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.051 -5.453 3.106 1.00 0.00 H new ATOM 0 HG CYS A 144 7.537 -4.241 3.025 1.00 0.00 H new ATOM 600 N VAL A 145 2.960 -7.227 1.116 1.00 0.00 N ATOM 601 CA VAL A 145 1.527 -7.458 1.254 1.00 0.00 C ATOM 602 C VAL A 145 1.117 -8.772 0.597 1.00 0.00 C ATOM 603 O VAL A 145 -0.070 -9.039 0.405 1.00 0.00 O ATOM 604 CB VAL A 145 0.711 -6.310 0.632 1.00 0.00 C ATOM 605 CG1 VAL A 145 0.847 -5.045 1.466 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.150 -6.061 -0.804 1.00 0.00 C ATOM 0 H VAL A 145 3.246 -6.884 0.199 1.00 0.00 H new ATOM 0 HA VAL A 145 1.315 -7.507 2.322 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.340 -6.599 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.264 -4.245 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.480 -5.233 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 145 1.895 -4.750 1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.563 -5.246 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.207 -5.793 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 145 0.996 -6.965 -1.394 1.00 0.00 H new ATOM 616 N LEU A 146 2.107 -9.590 0.256 1.00 0.00 N ATOM 617 CA LEU A 146 1.850 -10.878 -0.379 1.00 0.00 C ATOM 618 C LEU A 146 1.604 -11.961 0.666 1.00 0.00 C ATOM 619 O LEU A 146 2.490 -12.288 1.455 1.00 0.00 O ATOM 620 CB LEU A 146 3.028 -11.273 -1.272 1.00 0.00 C ATOM 621 CG LEU A 146 2.752 -11.295 -2.776 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.901 -10.655 -3.539 1.00 0.00 C ATOM 623 CD2 LEU A 146 2.521 -12.721 -3.254 1.00 0.00 C ATOM 0 H LEU A 146 3.094 -9.384 0.408 1.00 0.00 H new ATOM 0 HA LEU A 146 0.954 -10.780 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 146 3.849 -10.581 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.370 -12.263 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 146 1.848 -10.717 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.687 -10.680 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.020 -9.621 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.821 -11.205 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 146 2.326 -12.718 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 146 3.407 -13.322 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 146 1.664 -13.146 -2.731 1.00 0.00 H new ATOM 759 N GLU A 156 0.552 -15.107 -2.827 1.00 0.00 N ATOM 760 CA GLU A 156 -0.229 -14.798 -4.018 1.00 0.00 C ATOM 761 C GLU A 156 -0.462 -13.294 -4.141 1.00 0.00 C ATOM 762 O GLU A 156 -0.622 -12.596 -3.140 1.00 0.00 O ATOM 763 CB GLU A 156 -1.571 -15.531 -3.980 1.00 0.00 C ATOM 764 CG GLU A 156 -2.533 -15.099 -5.075 1.00 0.00 C ATOM 765 CD GLU A 156 -3.744 -16.005 -5.180 1.00 0.00 C ATOM 766 OE1 GLU A 156 -3.571 -17.187 -5.544 1.00 0.00 O ATOM 767 OE2 GLU A 156 -4.864 -15.532 -4.896 1.00 0.00 O ATOM 0 HA GLU A 156 0.335 -15.134 -4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.392 -16.603 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -2.039 -15.364 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -2.863 -14.079 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -2.008 -15.088 -6.030 1.00 0.00 H new ATOM 774 N VAL A 157 -0.479 -12.803 -5.376 1.00 0.00 N ATOM 775 CA VAL A 157 -0.692 -11.383 -5.631 1.00 0.00 C ATOM 776 C VAL A 157 -2.091 -11.128 -6.180 1.00 0.00 C ATOM 777 O VAL A 157 -2.339 -11.217 -7.383 1.00 0.00 O ATOM 778 CB VAL A 157 0.347 -10.829 -6.625 1.00 0.00 C ATOM 779 CG1 VAL A 157 0.060 -9.369 -6.939 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.754 -10.998 -6.073 1.00 0.00 C ATOM 0 H VAL A 157 -0.348 -13.367 -6.216 1.00 0.00 H new ATOM 0 HA VAL A 157 -0.580 -10.869 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 157 0.275 -11.396 -7.553 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.804 -8.995 -7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -0.933 -9.280 -7.380 1.00 0.00 H new ATOM 0 HG13 VAL A 157 0.103 -8.784 -6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 157 2.475 -10.602 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.842 -10.458 -5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.954 -12.056 -5.905 1.00 0.00 H new ATOM 790 N PRO A 158 -3.030 -10.802 -5.279 1.00 0.00 N ATOM 791 CA PRO A 158 -4.421 -10.526 -5.650 1.00 0.00 C ATOM 792 C PRO A 158 -4.567 -9.218 -6.420 1.00 0.00 C ATOM 793 O PRO A 158 -3.713 -8.333 -6.356 1.00 0.00 O ATOM 794 CB PRO A 158 -5.136 -10.434 -4.300 1.00 0.00 C ATOM 795 CG PRO A 158 -4.073 -10.039 -3.334 1.00 0.00 C ATOM 796 CD PRO A 158 -2.806 -10.678 -3.829 1.00 0.00 C ATOM 0 HA PRO A 158 -4.826 -11.292 -6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.940 -9.698 -4.327 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.586 -11.388 -4.025 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -3.971 -8.955 -3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.314 -10.380 -2.327 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -1.933 -10.063 -3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.638 -11.649 -3.364 1.00 0.00 H new ATOM 804 N PRO A 159 -5.674 -9.090 -7.167 1.00 0.00 N ATOM 805 CA PRO A 159 -5.957 -7.892 -7.963 1.00 0.00 C ATOM 806 C PRO A 159 -6.285 -6.683 -7.094 1.00 0.00 C ATOM 807 O PRO A 159 -5.794 -5.580 -7.336 1.00 0.00 O ATOM 808 CB PRO A 159 -7.176 -8.299 -8.794 1.00 0.00 C ATOM 809 CG PRO A 159 -7.839 -9.368 -7.996 1.00 0.00 C ATOM 810 CD PRO A 159 -6.734 -10.104 -7.291 1.00 0.00 C ATOM 0 HA PRO A 159 -5.098 -7.588 -8.561 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -7.845 -7.454 -8.956 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -6.880 -8.665 -9.777 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -8.542 -8.942 -7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -8.407 -10.040 -8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.054 -10.472 -6.316 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -6.398 -10.969 -7.863 1.00 0.00 H new ATOM 818 N VAL A 160 -7.118 -6.897 -6.080 1.00 0.00 N ATOM 819 CA VAL A 160 -7.510 -5.824 -5.173 1.00 0.00 C ATOM 820 C VAL A 160 -6.669 -5.844 -3.902 1.00 0.00 C ATOM 821 O VAL A 160 -6.672 -6.825 -3.158 1.00 0.00 O ATOM 822 CB VAL A 160 -8.999 -5.927 -4.793 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.318 -7.314 -4.254 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.365 -4.855 -3.778 1.00 0.00 C ATOM 0 H VAL A 160 -7.534 -7.803 -5.866 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.342 -4.885 -5.701 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.597 -5.765 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.374 -7.368 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.095 -8.061 -5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -8.713 -7.508 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.421 -4.943 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -8.761 -4.983 -2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -9.176 -3.870 -4.205 1.00 0.00 H new ATOM 834 N PHE A 161 -5.951 -4.753 -3.657 1.00 0.00 N ATOM 835 CA PHE A 161 -5.104 -4.645 -2.475 1.00 0.00 C ATOM 836 C PHE A 161 -5.579 -3.515 -1.567 1.00 0.00 C ATOM 837 O PHE A 161 -5.961 -2.444 -2.039 1.00 0.00 O ATOM 838 CB PHE A 161 -3.648 -4.408 -2.885 1.00 0.00 C ATOM 839 CG PHE A 161 -2.844 -3.682 -1.844 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.535 -4.291 -0.639 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.397 -2.390 -2.072 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.796 -3.625 0.320 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.657 -1.720 -1.116 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.355 -2.338 0.081 1.00 0.00 C ATOM 0 H PHE A 161 -5.939 -3.931 -4.261 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.171 -5.583 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.176 -5.368 -3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.628 -3.836 -3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.875 -5.298 -0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.629 -1.902 -3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.563 -4.111 1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.315 -0.713 -1.305 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.776 -1.817 0.828 1.00 0.00 H new ATOM 854 N TYR A 162 -5.554 -3.763 -0.262 1.00 0.00 N ATOM 855 CA TYR A 162 -5.985 -2.768 0.713 1.00 0.00 C ATOM 856 C TYR A 162 -4.985 -2.662 1.861 1.00 0.00 C ATOM 857 O TYR A 162 -4.705 -3.644 2.549 1.00 0.00 O ATOM 858 CB TYR A 162 -7.369 -3.125 1.258 1.00 0.00 C ATOM 859 CG TYR A 162 -8.499 -2.775 0.317 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.750 -1.456 -0.039 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.317 -3.764 -0.216 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.782 -1.131 -0.898 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.350 -3.449 -1.077 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.579 -2.132 -1.415 1.00 0.00 C ATOM 865 OH TYR A 162 -11.608 -1.814 -2.271 1.00 0.00 O ATOM 0 H TYR A 162 -5.240 -4.644 0.145 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.038 -1.802 0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.402 -4.194 1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.522 -2.607 2.205 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.127 -0.670 0.363 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.142 -4.797 0.048 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.964 -0.100 -1.163 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -10.975 -4.230 -1.483 1.00 0.00 H new ATOM 0 HH TYR A 162 -12.071 -2.633 -2.545 1.00 0.00 H new ATOM 875 N CYS A 163 -4.451 -1.462 2.062 1.00 0.00 N ATOM 876 CA CYS A 163 -3.482 -1.224 3.125 1.00 0.00 C ATOM 877 C CYS A 163 -4.060 -1.611 4.483 1.00 0.00 C ATOM 878 O CYS A 163 -5.184 -2.105 4.573 1.00 0.00 O ATOM 879 CB CYS A 163 -3.060 0.246 3.139 1.00 0.00 C ATOM 880 SG CYS A 163 -4.294 1.368 3.874 1.00 0.00 S ATOM 0 H CYS A 163 -4.673 -0.639 1.502 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.607 -1.844 2.931 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.125 0.339 3.692 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.859 0.565 2.116 1.00 0.00 H new ATOM 0 HG CYS A 163 -4.568 2.322 3.034 1.00 0.00 H new ATOM 885 N GLU A 164 -3.283 -1.384 5.538 1.00 0.00 N ATOM 886 CA GLU A 164 -3.718 -1.710 6.891 1.00 0.00 C ATOM 887 C GLU A 164 -4.989 -0.948 7.252 1.00 0.00 C ATOM 888 O GLU A 164 -5.943 -1.523 7.778 1.00 0.00 O ATOM 889 CB GLU A 164 -2.612 -1.385 7.898 1.00 0.00 C ATOM 890 CG GLU A 164 -2.107 0.045 7.807 1.00 0.00 C ATOM 891 CD GLU A 164 -0.865 0.279 8.645 1.00 0.00 C ATOM 892 OE1 GLU A 164 -0.979 0.286 9.888 1.00 0.00 O ATOM 893 OE2 GLU A 164 0.222 0.455 8.056 1.00 0.00 O ATOM 0 H GLU A 164 -2.350 -0.976 5.482 1.00 0.00 H new ATOM 0 HA GLU A 164 -3.932 -2.778 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -2.985 -1.566 8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -1.777 -2.067 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -1.889 0.284 6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.894 0.726 8.132 1.00 0.00 H new ATOM 900 N LEU A 165 -4.995 0.350 6.967 1.00 0.00 N ATOM 901 CA LEU A 165 -6.149 1.193 7.262 1.00 0.00 C ATOM 902 C LEU A 165 -7.425 0.593 6.680 1.00 0.00 C ATOM 903 O LEU A 165 -8.375 0.302 7.407 1.00 0.00 O ATOM 904 CB LEU A 165 -5.933 2.600 6.705 1.00 0.00 C ATOM 905 CG LEU A 165 -4.561 3.222 6.966 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.508 4.644 6.428 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.240 3.201 8.453 1.00 0.00 C ATOM 0 H LEU A 165 -4.214 0.841 6.532 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.258 1.251 8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.098 2.572 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.694 3.257 7.127 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.810 2.629 6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.524 5.070 6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.693 4.634 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.269 5.248 6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.260 3.648 8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -4.995 3.769 8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.235 2.171 8.810 1.00 0.00 H new ATOM 919 N CYS A 166 -7.438 0.408 5.364 1.00 0.00 N ATOM 920 CA CYS A 166 -8.595 -0.159 4.683 1.00 0.00 C ATOM 921 C CYS A 166 -8.863 -1.584 5.160 1.00 0.00 C ATOM 922 O CYS A 166 -10.014 -1.985 5.333 1.00 0.00 O ATOM 923 CB CYS A 166 -8.378 -0.149 3.168 1.00 0.00 C ATOM 924 SG CYS A 166 -8.114 1.511 2.467 1.00 0.00 S ATOM 0 H CYS A 166 -6.660 0.643 4.748 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.463 0.455 4.923 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.517 -0.773 2.931 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.243 -0.603 2.685 1.00 0.00 H new ATOM 0 HG CYS A 166 -7.339 1.425 1.427 1.00 0.00 H new ATOM 929 N ARG A 167 -7.793 -2.343 5.370 1.00 0.00 N ATOM 930 CA ARG A 167 -7.911 -3.723 5.825 1.00 0.00 C ATOM 931 C ARG A 167 -8.741 -3.803 7.103 1.00 0.00 C ATOM 932 O ARG A 167 -9.577 -4.695 7.259 1.00 0.00 O ATOM 933 CB ARG A 167 -6.526 -4.324 6.065 1.00 0.00 C ATOM 934 CG ARG A 167 -6.007 -5.145 4.896 1.00 0.00 C ATOM 935 CD ARG A 167 -5.751 -6.589 5.300 1.00 0.00 C ATOM 936 NE ARG A 167 -4.416 -6.771 5.864 1.00 0.00 N ATOM 937 CZ ARG A 167 -3.956 -7.937 6.303 1.00 0.00 C ATOM 938 NH1 ARG A 167 -4.720 -9.019 6.242 1.00 0.00 N ATOM 939 NH2 ARG A 167 -2.730 -8.023 6.803 1.00 0.00 N ATOM 0 H ARG A 167 -6.834 -2.025 5.232 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.416 -4.295 5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -5.821 -3.519 6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.562 -4.955 6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -6.730 -5.117 4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.085 -4.702 4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -6.498 -6.899 6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -5.868 -7.235 4.430 1.00 0.00 H new ATOM 0 HE ARG A 167 -3.803 -5.958 5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -5.663 -8.957 5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -4.365 -9.914 6.580 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.139 -7.193 6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.378 -8.919 7.140 1.00 0.00 H new