USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=14 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 : amide:sc= -1.74 X(o=-2.3,f=-2) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.53 K(o=-2.3,f=-5.4!) USER MOD Set 2.1: A 131 CYS SG : rot 1:sc= 0.334 USER MOD Set 2.2: A 136 CYS SG : rot 140:sc= 0.172 USER MOD Set 2.3: A 163 CYS SG : rot -127:sc= 0.181 USER MOD Set 2.4: A 166 CYS SG : rot 147:sc= 0.685 USER MOD Set 3.1: A 117 CYS SG : rot -81:sc= 0.345 USER MOD Set 3.2: A 119 CYS SG : rot -78:sc= 0.738 USER MOD Set 3.3: A 125 ASN : amide:sc= -3.97 K(o=-6.8,f=-14!) USER MOD Set 3.4: A 141 HIS : no HE2:sc= -1.65 K(o=-6.8,f=-7.3) USER MOD Set 3.5: A 143 ASN : amide:sc= -1.74 K(o=-6.8,f=-13!) USER MOD Set 3.6: A 144 CYS SG : rot 180:sc= -0.486 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -45:sc= 0.953 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 168:sc=-0.00371 (180deg=-0.393) USER MOD Single : A 134 GLN : amide:sc= 0.581 K(o=0.58,f=-0.28) USER MOD Single : A 140 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.2!) USER MOD Single : A 162 TYR OH : rot 37:sc= 0.0154 USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 112 -1.393 11.717 -4.232 1.00 0.00 N ATOM 94 CA GLU A 112 -1.966 10.541 -4.875 1.00 0.00 C ATOM 95 C GLU A 112 -0.991 9.367 -4.833 1.00 0.00 C ATOM 96 O GLU A 112 -1.393 8.209 -4.938 1.00 0.00 O ATOM 97 CB GLU A 112 -2.339 10.856 -6.326 1.00 0.00 C ATOM 98 CG GLU A 112 -3.767 11.347 -6.494 1.00 0.00 C ATOM 99 CD GLU A 112 -3.840 12.823 -6.834 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.687 13.652 -5.913 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.051 13.148 -8.021 1.00 0.00 O ATOM 0 HA GLU A 112 -2.867 10.263 -4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.656 11.613 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.198 9.961 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.255 10.772 -7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.322 11.162 -5.574 1.00 0.00 H new ATOM 108 N ALA A 113 0.292 9.677 -4.678 1.00 0.00 N ATOM 109 CA ALA A 113 1.324 8.650 -4.620 1.00 0.00 C ATOM 110 C ALA A 113 2.057 8.683 -3.283 1.00 0.00 C ATOM 111 O ALA A 113 3.080 9.352 -3.140 1.00 0.00 O ATOM 112 CB ALA A 113 2.308 8.825 -5.768 1.00 0.00 C ATOM 0 H ALA A 113 0.641 10.631 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 113 0.840 7.678 -4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.073 8.051 -5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.778 8.744 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.778 9.806 -5.698 1.00 0.00 H new ATOM 118 N LYS A 114 1.526 7.956 -2.306 1.00 0.00 N ATOM 119 CA LYS A 114 2.129 7.900 -0.979 1.00 0.00 C ATOM 120 C LYS A 114 2.519 6.470 -0.618 1.00 0.00 C ATOM 121 O LYS A 114 1.659 5.622 -0.385 1.00 0.00 O ATOM 122 CB LYS A 114 1.161 8.456 0.067 1.00 0.00 C ATOM 123 CG LYS A 114 1.612 8.221 1.499 1.00 0.00 C ATOM 124 CD LYS A 114 1.185 9.359 2.411 1.00 0.00 C ATOM 125 CE LYS A 114 -0.145 9.061 3.088 1.00 0.00 C ATOM 126 NZ LYS A 114 -0.652 10.232 3.854 1.00 0.00 N ATOM 0 H LYS A 114 0.679 7.397 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 114 3.031 8.511 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.039 9.527 -0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.182 7.999 -0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.193 7.284 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.697 8.118 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.951 9.527 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 114 1.102 10.279 1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.879 8.774 2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.028 8.211 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.559 9.989 4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.037 10.491 4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.788 11.036 3.209 1.00 0.00 H new ATOM 140 N VAL A 115 3.822 6.210 -0.573 1.00 0.00 N ATOM 141 CA VAL A 115 4.326 4.884 -0.238 1.00 0.00 C ATOM 142 C VAL A 115 4.337 4.666 1.271 1.00 0.00 C ATOM 143 O VAL A 115 5.181 5.213 1.981 1.00 0.00 O ATOM 144 CB VAL A 115 5.749 4.669 -0.787 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.178 3.221 -0.606 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.821 5.075 -2.251 1.00 0.00 C ATOM 0 H VAL A 115 4.548 6.901 -0.764 1.00 0.00 H new ATOM 0 HA VAL A 115 3.653 4.163 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 115 6.437 5.300 -0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.186 3.088 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.166 2.968 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.490 2.568 -1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.833 4.917 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.123 4.471 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.559 6.128 -2.350 1.00 0.00 H new ATOM 156 N ARG A 116 3.395 3.862 1.754 1.00 0.00 N ATOM 157 CA ARG A 116 3.296 3.572 3.179 1.00 0.00 C ATOM 158 C ARG A 116 3.285 2.066 3.428 1.00 0.00 C ATOM 159 O ARG A 116 2.229 1.432 3.417 1.00 0.00 O ATOM 160 CB ARG A 116 2.032 4.205 3.764 1.00 0.00 C ATOM 161 CG ARG A 116 2.294 5.494 4.526 1.00 0.00 C ATOM 162 CD ARG A 116 2.231 5.275 6.029 1.00 0.00 C ATOM 163 NE ARG A 116 0.980 5.764 6.602 1.00 0.00 N ATOM 164 CZ ARG A 116 0.625 5.569 7.867 1.00 0.00 C ATOM 165 NH1 ARG A 116 1.423 4.900 8.687 1.00 0.00 N ATOM 166 NH2 ARG A 116 -0.530 6.045 8.314 1.00 0.00 N ATOM 0 H ARG A 116 2.690 3.400 1.179 1.00 0.00 H new ATOM 0 HA ARG A 116 4.169 3.999 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.329 4.407 2.956 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.553 3.489 4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.275 5.885 4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.560 6.245 4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 116 2.337 4.212 6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.070 5.782 6.505 1.00 0.00 H new ATOM 0 HE ARG A 116 0.344 6.284 5.998 1.00 0.00 H new ATOM 0 HH11 ARG A 116 2.312 4.534 8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 116 1.148 4.752 9.658 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -1.146 6.561 7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -0.802 5.895 9.286 1.00 0.00 H new ATOM 180 N CYS A 117 4.466 1.499 3.650 1.00 0.00 N ATOM 181 CA CYS A 117 4.593 0.069 3.900 1.00 0.00 C ATOM 182 C CYS A 117 4.950 -0.198 5.360 1.00 0.00 C ATOM 183 O CYS A 117 5.497 0.667 6.044 1.00 0.00 O ATOM 184 CB CYS A 117 5.658 -0.537 2.984 1.00 0.00 C ATOM 185 SG CYS A 117 5.624 -2.357 2.908 1.00 0.00 S ATOM 0 H CYS A 117 5.349 2.009 3.662 1.00 0.00 H new ATOM 0 HA CYS A 117 3.632 -0.399 3.688 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.526 -0.139 1.978 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.642 -0.216 3.327 1.00 0.00 H new ATOM 0 HG CYS A 117 6.241 -2.846 3.943 1.00 0.00 H new ATOM 190 N ILE A 118 4.637 -1.402 5.829 1.00 0.00 N ATOM 191 CA ILE A 118 4.926 -1.783 7.205 1.00 0.00 C ATOM 192 C ILE A 118 6.419 -1.690 7.500 1.00 0.00 C ATOM 193 O ILE A 118 6.830 -1.589 8.656 1.00 0.00 O ATOM 194 CB ILE A 118 4.443 -3.215 7.506 1.00 0.00 C ATOM 195 CG1 ILE A 118 5.163 -4.219 6.603 1.00 0.00 C ATOM 196 CG2 ILE A 118 2.936 -3.315 7.323 1.00 0.00 C ATOM 197 CD1 ILE A 118 4.875 -5.662 6.955 1.00 0.00 C ATOM 0 H ILE A 118 4.184 -2.129 5.276 1.00 0.00 H new ATOM 0 HA ILE A 118 4.388 -1.084 7.845 1.00 0.00 H new ATOM 0 HB ILE A 118 4.680 -3.453 8.543 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.870 -4.040 5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.237 -4.046 6.665 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.610 -4.332 7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.440 -2.623 8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.677 -3.062 6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.418 -6.318 6.274 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.194 -5.857 7.979 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.805 -5.852 6.866 1.00 0.00 H new ATOM 209 N CYS A 119 7.228 -1.723 6.446 1.00 0.00 N ATOM 210 CA CYS A 119 8.676 -1.641 6.590 1.00 0.00 C ATOM 211 C CYS A 119 9.135 -0.187 6.651 1.00 0.00 C ATOM 212 O CYS A 119 10.321 0.093 6.823 1.00 0.00 O ATOM 213 CB CYS A 119 9.366 -2.357 5.427 1.00 0.00 C ATOM 214 SG CYS A 119 9.030 -1.620 3.795 1.00 0.00 S ATOM 0 H CYS A 119 6.904 -1.806 5.482 1.00 0.00 H new ATOM 0 HA CYS A 119 8.952 -2.130 7.524 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.442 -2.355 5.600 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.047 -3.399 5.416 1.00 0.00 H new ATOM 0 HG CYS A 119 7.848 -1.979 3.392 1.00 0.00 H new ATOM 219 N SER A 120 8.187 0.733 6.508 1.00 0.00 N ATOM 220 CA SER A 120 8.494 2.158 6.544 1.00 0.00 C ATOM 221 C SER A 120 9.586 2.504 5.536 1.00 0.00 C ATOM 222 O SER A 120 10.447 3.343 5.801 1.00 0.00 O ATOM 223 CB SER A 120 8.932 2.573 7.950 1.00 0.00 C ATOM 224 OG SER A 120 10.307 2.300 8.156 1.00 0.00 O ATOM 0 H SER A 120 7.200 0.517 6.366 1.00 0.00 H new ATOM 0 HA SER A 120 7.590 2.705 6.277 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.743 3.637 8.094 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.337 2.041 8.692 1.00 0.00 H new ATOM 0 HG SER A 120 10.516 1.402 7.824 1.00 0.00 H new ATOM 230 N SER A 121 9.542 1.852 4.378 1.00 0.00 N ATOM 231 CA SER A 121 10.529 2.086 3.331 1.00 0.00 C ATOM 232 C SER A 121 9.851 2.495 2.027 1.00 0.00 C ATOM 233 O SER A 121 9.108 1.716 1.429 1.00 0.00 O ATOM 234 CB SER A 121 11.375 0.831 3.108 1.00 0.00 C ATOM 235 OG SER A 121 12.688 1.168 2.695 1.00 0.00 O ATOM 0 H SER A 121 8.833 1.158 4.142 1.00 0.00 H new ATOM 0 HA SER A 121 11.178 2.900 3.653 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.418 0.249 4.029 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.904 0.200 2.354 1.00 0.00 H new ATOM 0 HG SER A 121 13.209 0.349 2.561 1.00 0.00 H new ATOM 241 N THR A 122 10.112 3.724 1.591 1.00 0.00 N ATOM 242 CA THR A 122 9.527 4.238 0.359 1.00 0.00 C ATOM 243 C THR A 122 10.462 4.024 -0.825 1.00 0.00 C ATOM 244 O THR A 122 10.469 4.809 -1.772 1.00 0.00 O ATOM 245 CB THR A 122 9.200 5.739 0.476 1.00 0.00 C ATOM 246 OG1 THR A 122 10.411 6.501 0.528 1.00 0.00 O ATOM 247 CG2 THR A 122 8.367 6.016 1.718 1.00 0.00 C ATOM 0 H THR A 122 10.725 4.382 2.073 1.00 0.00 H new ATOM 0 HA THR A 122 8.603 3.684 0.193 1.00 0.00 H new ATOM 0 HB THR A 122 8.624 6.032 -0.401 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.195 7.454 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 122 8.149 7.082 1.779 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.433 5.457 1.662 1.00 0.00 H new ATOM 0 HG23 THR A 122 8.922 5.708 2.604 1.00 0.00 H new ATOM 255 N MET A 123 11.250 2.955 -0.765 1.00 0.00 N ATOM 256 CA MET A 123 12.189 2.637 -1.835 1.00 0.00 C ATOM 257 C MET A 123 11.504 1.838 -2.939 1.00 0.00 C ATOM 258 O MET A 123 10.306 1.564 -2.869 1.00 0.00 O ATOM 259 CB MET A 123 13.378 1.850 -1.282 1.00 0.00 C ATOM 260 CG MET A 123 14.679 2.636 -1.280 1.00 0.00 C ATOM 261 SD MET A 123 15.614 2.436 -2.808 1.00 0.00 S ATOM 262 CE MET A 123 16.476 0.901 -2.479 1.00 0.00 C ATOM 0 H MET A 123 11.257 2.295 0.013 1.00 0.00 H new ATOM 0 HA MET A 123 12.549 3.574 -2.259 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.152 1.534 -0.263 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.511 0.945 -1.874 1.00 0.00 H new ATOM 0 HG2 MET A 123 14.460 3.693 -1.128 1.00 0.00 H new ATOM 0 HG3 MET A 123 15.292 2.314 -0.439 1.00 0.00 H new ATOM 0 HE1 MET A 123 17.099 0.643 -3.335 1.00 0.00 H new ATOM 0 HE2 MET A 123 17.104 1.018 -1.596 1.00 0.00 H new ATOM 0 HE3 MET A 123 15.750 0.106 -2.305 1.00 0.00 H new ATOM 272 N VAL A 124 12.273 1.465 -3.957 1.00 0.00 N ATOM 273 CA VAL A 124 11.740 0.696 -5.076 1.00 0.00 C ATOM 274 C VAL A 124 11.994 -0.795 -4.887 1.00 0.00 C ATOM 275 O VAL A 124 13.014 -1.323 -5.329 1.00 0.00 O ATOM 276 CB VAL A 124 12.360 1.146 -6.412 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.663 0.466 -7.580 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.292 2.660 -6.548 1.00 0.00 C ATOM 0 H VAL A 124 13.267 1.683 -4.030 1.00 0.00 H new ATOM 0 HA VAL A 124 10.666 0.879 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 124 13.409 0.850 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.115 0.796 -8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.769 -0.615 -7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.605 0.729 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.735 2.960 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.251 2.982 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.842 3.124 -5.729 1.00 0.00 H new ATOM 288 N ASN A 125 11.057 -1.471 -4.229 1.00 0.00 N ATOM 289 CA ASN A 125 11.179 -2.903 -3.981 1.00 0.00 C ATOM 290 C ASN A 125 11.046 -3.692 -5.280 1.00 0.00 C ATOM 291 O ASN A 125 11.146 -3.133 -6.372 1.00 0.00 O ATOM 292 CB ASN A 125 10.116 -3.361 -2.981 1.00 0.00 C ATOM 293 CG ASN A 125 8.740 -3.471 -3.610 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.430 -2.775 -4.577 1.00 0.00 O ATOM 295 ND2 ASN A 125 7.908 -4.349 -3.061 1.00 0.00 N ATOM 0 H ASN A 125 10.205 -1.050 -3.858 1.00 0.00 H new ATOM 0 HA ASN A 125 12.167 -3.092 -3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.402 -4.328 -2.568 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.077 -2.658 -2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 125 6.969 -4.468 -3.440 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.209 -4.905 -2.260 1.00 0.00 H new ATOM 302 N ASP A 126 10.819 -4.995 -5.153 1.00 0.00 N ATOM 303 CA ASP A 126 10.669 -5.862 -6.316 1.00 0.00 C ATOM 304 C ASP A 126 9.398 -5.522 -7.088 1.00 0.00 C ATOM 305 O ASP A 126 9.370 -5.589 -8.317 1.00 0.00 O ATOM 306 CB ASP A 126 10.642 -7.329 -5.885 1.00 0.00 C ATOM 307 CG ASP A 126 11.565 -7.606 -4.715 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.685 -7.053 -4.698 1.00 0.00 O ATOM 309 OD2 ASP A 126 11.167 -8.375 -3.815 1.00 0.00 O ATOM 0 H ASP A 126 10.735 -5.474 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 126 11.525 -5.700 -6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 126 9.623 -7.606 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.930 -7.958 -6.728 1.00 0.00 H new ATOM 314 N SER A 127 8.348 -5.158 -6.359 1.00 0.00 N ATOM 315 CA SER A 127 7.073 -4.812 -6.974 1.00 0.00 C ATOM 316 C SER A 127 6.174 -4.076 -5.985 1.00 0.00 C ATOM 317 O SER A 127 5.930 -4.553 -4.877 1.00 0.00 O ATOM 318 CB SER A 127 6.368 -6.072 -7.480 1.00 0.00 C ATOM 319 OG SER A 127 5.656 -5.813 -8.677 1.00 0.00 O ATOM 0 H SER A 127 8.356 -5.095 -5.341 1.00 0.00 H new ATOM 0 HA SER A 127 7.273 -4.152 -7.818 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.102 -6.859 -7.653 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.681 -6.439 -6.717 1.00 0.00 H new ATOM 0 HG SER A 127 5.216 -6.635 -8.980 1.00 0.00 H new ATOM 325 N MET A 128 5.685 -2.910 -6.395 1.00 0.00 N ATOM 326 CA MET A 128 4.812 -2.107 -5.546 1.00 0.00 C ATOM 327 C MET A 128 3.369 -2.172 -6.034 1.00 0.00 C ATOM 328 O MET A 128 3.103 -2.602 -7.157 1.00 0.00 O ATOM 329 CB MET A 128 5.288 -0.654 -5.518 1.00 0.00 C ATOM 330 CG MET A 128 6.790 -0.510 -5.335 1.00 0.00 C ATOM 331 SD MET A 128 7.342 1.204 -5.437 1.00 0.00 S ATOM 332 CE MET A 128 7.340 1.664 -3.706 1.00 0.00 C ATOM 0 H MET A 128 5.878 -2.500 -7.309 1.00 0.00 H new ATOM 0 HA MET A 128 4.854 -2.515 -4.536 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.995 -0.166 -6.448 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.780 -0.129 -4.709 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.075 -0.922 -4.367 1.00 0.00 H new ATOM 0 HG3 MET A 128 7.303 -1.099 -6.096 1.00 0.00 H new ATOM 0 HE1 MET A 128 7.856 2.616 -3.582 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.312 1.760 -3.356 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.851 0.896 -3.125 1.00 0.00 H new ATOM 342 N ILE A 129 2.441 -1.745 -5.184 1.00 0.00 N ATOM 343 CA ILE A 129 1.025 -1.754 -5.531 1.00 0.00 C ATOM 344 C ILE A 129 0.277 -0.634 -4.817 1.00 0.00 C ATOM 345 O ILE A 129 0.480 -0.400 -3.626 1.00 0.00 O ATOM 346 CB ILE A 129 0.368 -3.102 -5.178 1.00 0.00 C ATOM 347 CG1 ILE A 129 -1.125 -3.068 -5.510 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.583 -3.426 -3.707 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.797 -4.419 -5.407 1.00 0.00 C ATOM 0 H ILE A 129 2.644 -1.389 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 129 0.963 -1.600 -6.608 1.00 0.00 H new ATOM 0 HB ILE A 129 0.835 -3.886 -5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.623 -2.371 -4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.256 -2.682 -6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.113 -4.381 -3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.651 -3.487 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.138 -2.643 -3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.854 -4.320 -5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.325 -5.114 -6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.698 -4.798 -4.390 1.00 0.00 H new ATOM 361 N GLN A 130 -0.589 0.055 -5.553 1.00 0.00 N ATOM 362 CA GLN A 130 -1.369 1.150 -4.989 1.00 0.00 C ATOM 363 C GLN A 130 -2.677 0.637 -4.393 1.00 0.00 C ATOM 364 O GLN A 130 -3.331 -0.236 -4.965 1.00 0.00 O ATOM 365 CB GLN A 130 -1.661 2.201 -6.061 1.00 0.00 C ATOM 366 CG GLN A 130 -2.624 3.285 -5.604 1.00 0.00 C ATOM 367 CD GLN A 130 -2.298 4.643 -6.195 1.00 0.00 C ATOM 368 OE1 GLN A 130 -1.995 4.759 -7.383 1.00 0.00 O ATOM 369 NE2 GLN A 130 -2.359 5.679 -5.367 1.00 0.00 N ATOM 0 H GLN A 130 -0.768 -0.126 -6.541 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.783 1.607 -4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.724 2.665 -6.368 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -2.074 1.706 -6.940 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.639 3.005 -5.885 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.601 3.351 -4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.615 5.537 -4.390 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.150 6.617 -5.708 1.00 0.00 H new ATOM 378 N CYS A 131 -3.052 1.185 -3.242 1.00 0.00 N ATOM 379 CA CYS A 131 -4.280 0.783 -2.568 1.00 0.00 C ATOM 380 C CYS A 131 -5.476 0.887 -3.510 1.00 0.00 C ATOM 381 O CYS A 131 -5.490 1.713 -4.422 1.00 0.00 O ATOM 382 CB CYS A 131 -4.515 1.652 -1.331 1.00 0.00 C ATOM 383 SG CYS A 131 -5.923 1.119 -0.305 1.00 0.00 S ATOM 0 H CYS A 131 -2.522 1.909 -2.757 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.172 -0.257 -2.259 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.612 1.648 -0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.680 2.681 -1.649 1.00 0.00 H new ATOM 0 HG CYS A 131 -6.463 0.058 -0.827 1.00 0.00 H new ATOM 388 N GLU A 132 -6.478 0.043 -3.281 1.00 0.00 N ATOM 389 CA GLU A 132 -7.678 0.040 -4.110 1.00 0.00 C ATOM 390 C GLU A 132 -8.727 0.997 -3.551 1.00 0.00 C ATOM 391 O GLU A 132 -9.912 0.889 -3.868 1.00 0.00 O ATOM 392 CB GLU A 132 -8.257 -1.373 -4.202 1.00 0.00 C ATOM 393 CG GLU A 132 -7.905 -2.093 -5.492 1.00 0.00 C ATOM 394 CD GLU A 132 -9.117 -2.352 -6.366 1.00 0.00 C ATOM 395 OE1 GLU A 132 -10.021 -1.491 -6.395 1.00 0.00 O ATOM 396 OE2 GLU A 132 -9.161 -3.414 -7.021 1.00 0.00 O ATOM 0 H GLU A 132 -6.482 -0.646 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.400 0.376 -5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.895 -1.960 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.342 -1.318 -4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.181 -1.499 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.424 -3.042 -5.254 1.00 0.00 H new ATOM 403 N ASP A 133 -8.283 1.932 -2.719 1.00 0.00 N ATOM 404 CA ASP A 133 -9.183 2.909 -2.116 1.00 0.00 C ATOM 405 C ASP A 133 -8.824 4.324 -2.559 1.00 0.00 C ATOM 406 O ASP A 133 -7.781 4.856 -2.182 1.00 0.00 O ATOM 407 CB ASP A 133 -9.129 2.809 -0.591 1.00 0.00 C ATOM 408 CG ASP A 133 -10.246 3.586 0.079 1.00 0.00 C ATOM 409 OD1 ASP A 133 -10.869 4.432 -0.596 1.00 0.00 O ATOM 410 OD2 ASP A 133 -10.497 3.348 1.279 1.00 0.00 O ATOM 0 H ASP A 133 -7.305 2.035 -2.446 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.197 2.689 -2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.191 1.762 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.168 3.183 -0.239 1.00 0.00 H new ATOM 415 N GLN A 134 -9.696 4.926 -3.362 1.00 0.00 N ATOM 416 CA GLN A 134 -9.469 6.278 -3.857 1.00 0.00 C ATOM 417 C GLN A 134 -9.329 7.265 -2.702 1.00 0.00 C ATOM 418 O GLN A 134 -8.745 8.338 -2.857 1.00 0.00 O ATOM 419 CB GLN A 134 -10.616 6.707 -4.774 1.00 0.00 C ATOM 420 CG GLN A 134 -10.543 8.165 -5.199 1.00 0.00 C ATOM 421 CD GLN A 134 -11.538 9.039 -4.461 1.00 0.00 C ATOM 422 OE1 GLN A 134 -12.703 9.136 -4.848 1.00 0.00 O ATOM 423 NE2 GLN A 134 -11.083 9.681 -3.391 1.00 0.00 N ATOM 0 H GLN A 134 -10.565 4.499 -3.683 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.539 6.278 -4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.614 6.077 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.563 6.533 -4.263 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -9.535 8.541 -5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -10.727 8.237 -6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -10.110 9.572 -3.106 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -11.707 10.283 -2.854 1.00 0.00 H new ATOM 432 N ARG A 135 -9.870 6.895 -1.546 1.00 0.00 N ATOM 433 CA ARG A 135 -9.806 7.748 -0.365 1.00 0.00 C ATOM 434 C ARG A 135 -8.545 7.462 0.445 1.00 0.00 C ATOM 435 O ARG A 135 -8.396 7.939 1.570 1.00 0.00 O ATOM 436 CB ARG A 135 -11.045 7.539 0.508 1.00 0.00 C ATOM 437 CG ARG A 135 -12.213 8.436 0.133 1.00 0.00 C ATOM 438 CD ARG A 135 -13.070 7.809 -0.955 1.00 0.00 C ATOM 439 NE ARG A 135 -13.930 8.792 -1.609 1.00 0.00 N ATOM 440 CZ ARG A 135 -14.792 8.489 -2.572 1.00 0.00 C ATOM 441 NH1 ARG A 135 -14.909 7.236 -2.992 1.00 0.00 N ATOM 442 NH2 ARG A 135 -15.540 9.439 -3.118 1.00 0.00 N ATOM 0 H ARG A 135 -10.357 6.011 -1.402 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.775 8.785 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.359 6.498 0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.780 7.719 1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.825 8.626 1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -11.837 9.400 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -12.426 7.339 -1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.685 7.020 -0.522 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.865 9.765 -1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -14.336 6.503 -2.575 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -15.572 7.006 -3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -15.453 10.404 -2.798 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -16.202 9.205 -3.858 1.00 0.00 H new ATOM 456 N CYS A 136 -7.640 6.681 -0.135 1.00 0.00 N ATOM 457 CA CYS A 136 -6.392 6.330 0.532 1.00 0.00 C ATOM 458 C CYS A 136 -5.193 6.646 -0.357 1.00 0.00 C ATOM 459 O CYS A 136 -4.327 7.439 0.011 1.00 0.00 O ATOM 460 CB CYS A 136 -6.388 4.846 0.905 1.00 0.00 C ATOM 461 SG CYS A 136 -5.484 4.468 2.440 1.00 0.00 S ATOM 0 H CYS A 136 -7.748 6.279 -1.066 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.315 6.926 1.441 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.418 4.506 1.010 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.946 4.278 0.086 1.00 0.00 H new ATOM 0 HG CYS A 136 -6.137 3.572 3.119 1.00 0.00 H new ATOM 466 N GLN A 137 -5.150 6.019 -1.528 1.00 0.00 N ATOM 467 CA GLN A 137 -4.057 6.233 -2.469 1.00 0.00 C ATOM 468 C GLN A 137 -2.707 6.009 -1.796 1.00 0.00 C ATOM 469 O GLN A 137 -1.858 6.899 -1.773 1.00 0.00 O ATOM 470 CB GLN A 137 -4.123 7.647 -3.048 1.00 0.00 C ATOM 471 CG GLN A 137 -5.408 7.934 -3.807 1.00 0.00 C ATOM 472 CD GLN A 137 -5.238 7.814 -5.309 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.090 8.814 -6.011 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.258 6.584 -5.810 1.00 0.00 N ATOM 0 H GLN A 137 -5.859 5.359 -1.848 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.163 5.511 -3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.021 8.368 -2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.275 7.797 -3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.183 7.242 -3.476 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.753 8.939 -3.563 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.383 5.783 -5.191 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.148 6.440 -6.814 1.00 0.00 H new ATOM 483 N VAL A 138 -2.516 4.813 -1.247 1.00 0.00 N ATOM 484 CA VAL A 138 -1.269 4.471 -0.573 1.00 0.00 C ATOM 485 C VAL A 138 -0.606 3.263 -1.224 1.00 0.00 C ATOM 486 O VAL A 138 -1.204 2.191 -1.320 1.00 0.00 O ATOM 487 CB VAL A 138 -1.502 4.173 0.920 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.781 5.458 1.684 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.642 3.182 1.094 1.00 0.00 C ATOM 0 H VAL A 138 -3.209 4.065 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.612 5.336 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.596 3.725 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.943 5.227 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.929 6.131 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.671 5.938 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.792 2.983 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.555 3.600 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.397 2.252 0.582 1.00 0.00 H new ATOM 499 N TRP A 139 0.632 3.443 -1.669 1.00 0.00 N ATOM 500 CA TRP A 139 1.377 2.366 -2.311 1.00 0.00 C ATOM 501 C TRP A 139 2.093 1.506 -1.275 1.00 0.00 C ATOM 502 O TRP A 139 2.639 2.021 -0.300 1.00 0.00 O ATOM 503 CB TRP A 139 2.390 2.940 -3.303 1.00 0.00 C ATOM 504 CG TRP A 139 1.755 3.705 -4.425 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.903 4.766 -4.315 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.920 3.464 -5.827 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.529 5.200 -5.564 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.140 4.419 -6.508 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.653 2.537 -6.573 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.072 4.470 -7.898 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.585 2.589 -7.952 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.800 3.550 -8.603 1.00 0.00 C ATOM 0 H TRP A 139 1.141 4.324 -1.597 1.00 0.00 H new ATOM 0 HA TRP A 139 0.667 1.738 -2.849 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.078 3.596 -2.770 1.00 0.00 H new ATOM 0 HB3 TRP A 139 2.983 2.125 -3.718 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.572 5.200 -3.383 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.102 5.978 -5.757 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.262 1.793 -6.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.467 5.209 -8.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.147 1.877 -8.538 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.769 3.565 -9.682 1.00 0.00 H new ATOM 523 N GLN A 140 2.087 0.196 -1.494 1.00 0.00 N ATOM 524 CA GLN A 140 2.736 -0.735 -0.578 1.00 0.00 C ATOM 525 C GLN A 140 3.573 -1.756 -1.341 1.00 0.00 C ATOM 526 O GLN A 140 3.439 -1.900 -2.557 1.00 0.00 O ATOM 527 CB GLN A 140 1.691 -1.452 0.279 1.00 0.00 C ATOM 528 CG GLN A 140 0.946 -0.528 1.229 1.00 0.00 C ATOM 529 CD GLN A 140 0.671 -1.173 2.573 1.00 0.00 C ATOM 530 OE1 GLN A 140 0.890 -2.370 2.757 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.188 -0.379 3.523 1.00 0.00 N ATOM 0 H GLN A 140 1.640 -0.245 -2.298 1.00 0.00 H new ATOM 0 HA GLN A 140 3.398 -0.163 0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 140 0.971 -1.943 -0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.182 -2.235 0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 140 1.529 0.380 1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.002 -0.229 0.774 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.021 0.608 3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.016 -0.757 4.448 1.00 0.00 H new ATOM 540 N HIS A 141 4.437 -2.463 -0.620 1.00 0.00 N ATOM 541 CA HIS A 141 5.296 -3.472 -1.229 1.00 0.00 C ATOM 542 C HIS A 141 4.556 -4.797 -1.380 1.00 0.00 C ATOM 543 O HIS A 141 4.209 -5.443 -0.390 1.00 0.00 O ATOM 544 CB HIS A 141 6.558 -3.672 -0.390 1.00 0.00 C ATOM 545 CG HIS A 141 7.489 -2.499 -0.417 1.00 0.00 C ATOM 546 ND1 HIS A 141 8.316 -2.169 0.636 1.00 0.00 N ATOM 547 CD2 HIS A 141 7.722 -1.577 -1.380 1.00 0.00 C ATOM 548 CE1 HIS A 141 9.016 -1.094 0.323 1.00 0.00 C ATOM 549 NE2 HIS A 141 8.675 -0.714 -0.896 1.00 0.00 N ATOM 0 H HIS A 141 4.561 -2.356 0.387 1.00 0.00 H new ATOM 0 HA HIS A 141 5.580 -3.120 -2.221 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.270 -3.873 0.642 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.088 -4.554 -0.750 1.00 0.00 H new ATOM 0 HD1 HIS A 141 8.377 -2.676 1.519 1.00 0.00 H new ATOM 0 HD2 HIS A 141 7.247 -1.529 -2.349 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.744 -0.608 0.956 1.00 0.00 H new ATOM 557 N LEU A 142 4.315 -5.196 -2.624 1.00 0.00 N ATOM 558 CA LEU A 142 3.615 -6.445 -2.905 1.00 0.00 C ATOM 559 C LEU A 142 4.335 -7.629 -2.268 1.00 0.00 C ATOM 560 O LEU A 142 3.703 -8.586 -1.824 1.00 0.00 O ATOM 561 CB LEU A 142 3.497 -6.658 -4.416 1.00 0.00 C ATOM 562 CG LEU A 142 2.132 -6.351 -5.032 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.152 -6.611 -6.531 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.045 -7.177 -4.360 1.00 0.00 C ATOM 0 H LEU A 142 4.594 -4.673 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 142 2.616 -6.377 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.244 -6.037 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.748 -7.695 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 142 1.911 -5.296 -4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.172 -6.387 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.903 -5.975 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.396 -7.657 -6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.080 -6.945 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.261 -8.237 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.014 -6.941 -3.296 1.00 0.00 H new ATOM 576 N ASN A 143 5.661 -7.554 -2.224 1.00 0.00 N ATOM 577 CA ASN A 143 6.467 -8.619 -1.639 1.00 0.00 C ATOM 578 C ASN A 143 6.333 -8.631 -0.119 1.00 0.00 C ATOM 579 O ASN A 143 6.611 -9.638 0.532 1.00 0.00 O ATOM 580 CB ASN A 143 7.936 -8.449 -2.031 1.00 0.00 C ATOM 581 CG ASN A 143 8.100 -7.876 -3.426 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.793 -6.878 -3.622 1.00 0.00 O ATOM 583 ND2 ASN A 143 7.460 -8.508 -4.403 1.00 0.00 N ATOM 0 H ASN A 143 6.200 -6.767 -2.586 1.00 0.00 H new ATOM 0 HA ASN A 143 6.102 -9.571 -2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.428 -7.794 -1.312 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.438 -9.415 -1.977 1.00 0.00 H new ATOM 0 HD21 ASN A 143 7.532 -8.169 -5.362 1.00 0.00 H new ATOM 0 HD22 ASN A 143 6.896 -9.332 -4.194 1.00 0.00 H new ATOM 590 N CYS A 144 5.904 -7.505 0.440 1.00 0.00 N ATOM 591 CA CYS A 144 5.732 -7.384 1.882 1.00 0.00 C ATOM 592 C CYS A 144 4.312 -7.762 2.294 1.00 0.00 C ATOM 593 O CYS A 144 4.078 -8.212 3.416 1.00 0.00 O ATOM 594 CB CYS A 144 6.043 -5.956 2.337 1.00 0.00 C ATOM 595 SG CYS A 144 7.807 -5.512 2.235 1.00 0.00 S ATOM 0 H CYS A 144 5.669 -6.662 -0.085 1.00 0.00 H new ATOM 0 HA CYS A 144 6.427 -8.071 2.364 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.468 -5.258 1.728 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.707 -5.833 3.367 1.00 0.00 H new ATOM 0 HG CYS A 144 7.970 -4.287 2.638 1.00 0.00 H new ATOM 600 N VAL A 145 3.367 -7.576 1.378 1.00 0.00 N ATOM 601 CA VAL A 145 1.970 -7.899 1.645 1.00 0.00 C ATOM 602 C VAL A 145 1.561 -9.191 0.946 1.00 0.00 C ATOM 603 O VAL A 145 0.375 -9.504 0.841 1.00 0.00 O ATOM 604 CB VAL A 145 1.035 -6.763 1.189 1.00 0.00 C ATOM 605 CG1 VAL A 145 1.154 -5.567 2.121 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.342 -6.365 -0.246 1.00 0.00 C ATOM 0 H VAL A 145 3.543 -7.204 0.445 1.00 0.00 H new ATOM 0 HA VAL A 145 1.875 -8.027 2.723 1.00 0.00 H new ATOM 0 HB VAL A 145 0.007 -7.123 1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.486 -4.775 1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.880 -5.866 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.181 -5.203 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.672 -5.561 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.375 -6.023 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 145 1.200 -7.225 -0.900 1.00 0.00 H new ATOM 616 N LEU A 146 2.551 -9.937 0.469 1.00 0.00 N ATOM 617 CA LEU A 146 2.295 -11.197 -0.221 1.00 0.00 C ATOM 618 C LEU A 146 2.390 -12.375 0.743 1.00 0.00 C ATOM 619 O LEU A 146 3.458 -12.661 1.287 1.00 0.00 O ATOM 620 CB LEU A 146 3.287 -11.383 -1.370 1.00 0.00 C ATOM 621 CG LEU A 146 2.740 -11.134 -2.776 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.878 -11.007 -3.777 1.00 0.00 C ATOM 623 CD2 LEU A 146 1.790 -12.250 -3.184 1.00 0.00 C ATOM 0 H LEU A 146 3.538 -9.692 0.547 1.00 0.00 H new ATOM 0 HA LEU A 146 1.283 -11.162 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 146 4.131 -10.713 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.675 -12.401 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 146 2.185 -10.196 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.469 -10.830 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.520 -10.172 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.462 -11.927 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.410 -12.056 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 146 2.321 -13.202 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 146 0.957 -12.293 -2.483 1.00 0.00 H new ATOM 759 N GLU A 156 0.586 -15.253 -3.051 1.00 0.00 N ATOM 760 CA GLU A 156 -0.664 -15.002 -3.759 1.00 0.00 C ATOM 761 C GLU A 156 -0.873 -13.507 -3.981 1.00 0.00 C ATOM 762 O GLU A 156 -1.022 -12.741 -3.029 1.00 0.00 O ATOM 763 CB GLU A 156 -1.844 -15.582 -2.976 1.00 0.00 C ATOM 764 CG GLU A 156 -3.200 -15.174 -3.528 1.00 0.00 C ATOM 765 CD GLU A 156 -4.350 -15.865 -2.820 1.00 0.00 C ATOM 766 OE1 GLU A 156 -4.492 -17.095 -2.981 1.00 0.00 O ATOM 767 OE2 GLU A 156 -5.107 -15.175 -2.106 1.00 0.00 O ATOM 0 HA GLU A 156 -0.606 -15.491 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.772 -16.670 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -1.773 -15.261 -1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -3.316 -14.094 -3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -3.240 -15.408 -4.592 1.00 0.00 H new ATOM 774 N VAL A 157 -0.882 -13.098 -5.246 1.00 0.00 N ATOM 775 CA VAL A 157 -1.072 -11.696 -5.595 1.00 0.00 C ATOM 776 C VAL A 157 -2.491 -11.441 -6.091 1.00 0.00 C ATOM 777 O VAL A 157 -2.808 -11.627 -7.266 1.00 0.00 O ATOM 778 CB VAL A 157 -0.073 -11.246 -6.678 1.00 0.00 C ATOM 779 CG1 VAL A 157 -0.216 -9.756 -6.951 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.350 -11.587 -6.263 1.00 0.00 C ATOM 0 H VAL A 157 -0.760 -13.719 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 157 -0.897 -11.118 -4.688 1.00 0.00 H new ATOM 0 HB VAL A 157 -0.297 -11.782 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.498 -9.457 -7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.229 -9.545 -7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.020 -9.198 -6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 157 2.043 -11.262 -7.039 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.588 -11.079 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.440 -12.664 -6.124 1.00 0.00 H new ATOM 790 N PRO A 158 -3.368 -11.003 -5.176 1.00 0.00 N ATOM 791 CA PRO A 158 -4.768 -10.711 -5.496 1.00 0.00 C ATOM 792 C PRO A 158 -4.916 -9.472 -6.373 1.00 0.00 C ATOM 793 O PRO A 158 -4.021 -8.632 -6.458 1.00 0.00 O ATOM 794 CB PRO A 158 -5.405 -10.474 -4.125 1.00 0.00 C ATOM 795 CG PRO A 158 -4.278 -10.033 -3.256 1.00 0.00 C ATOM 796 CD PRO A 158 -3.060 -10.758 -3.756 1.00 0.00 C ATOM 0 HA PRO A 158 -5.232 -11.518 -6.063 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.186 -9.715 -4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.869 -11.383 -3.741 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.140 -8.953 -3.314 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.474 -10.274 -2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.158 -10.157 -3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.896 -11.689 -3.214 1.00 0.00 H new ATOM 804 N PRO A 159 -6.073 -9.354 -7.042 1.00 0.00 N ATOM 805 CA PRO A 159 -6.366 -8.220 -7.924 1.00 0.00 C ATOM 806 C PRO A 159 -6.566 -6.922 -7.151 1.00 0.00 C ATOM 807 O PRO A 159 -6.043 -5.874 -7.530 1.00 0.00 O ATOM 808 CB PRO A 159 -7.665 -8.636 -8.617 1.00 0.00 C ATOM 809 CG PRO A 159 -8.309 -9.592 -7.673 1.00 0.00 C ATOM 810 CD PRO A 159 -7.185 -10.318 -6.988 1.00 0.00 C ATOM 0 HA PRO A 159 -5.546 -8.017 -8.613 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -8.306 -7.775 -8.807 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -7.467 -9.104 -9.581 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -8.932 -9.066 -6.950 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -8.957 -10.289 -8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.442 -10.578 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -6.936 -11.248 -7.500 1.00 0.00 H new ATOM 818 N VAL A 160 -7.327 -6.997 -6.063 1.00 0.00 N ATOM 819 CA VAL A 160 -7.596 -5.827 -5.235 1.00 0.00 C ATOM 820 C VAL A 160 -6.774 -5.862 -3.952 1.00 0.00 C ATOM 821 O VAL A 160 -6.809 -6.841 -3.206 1.00 0.00 O ATOM 822 CB VAL A 160 -9.090 -5.727 -4.873 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.587 -7.041 -4.291 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.326 -4.581 -3.901 1.00 0.00 C ATOM 0 H VAL A 160 -7.768 -7.856 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.313 -4.952 -5.821 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.654 -5.524 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.644 -6.952 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.453 -7.837 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -9.020 -7.278 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.387 -4.524 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -8.752 -4.752 -2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -9.009 -3.644 -4.359 1.00 0.00 H new ATOM 834 N PHE A 161 -6.035 -4.786 -3.700 1.00 0.00 N ATOM 835 CA PHE A 161 -5.203 -4.693 -2.506 1.00 0.00 C ATOM 836 C PHE A 161 -5.633 -3.517 -1.634 1.00 0.00 C ATOM 837 O PHE A 161 -5.966 -2.445 -2.139 1.00 0.00 O ATOM 838 CB PHE A 161 -3.731 -4.543 -2.894 1.00 0.00 C ATOM 839 CG PHE A 161 -2.865 -4.037 -1.777 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.297 -4.916 -0.869 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.617 -2.681 -1.635 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.500 -4.452 0.160 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.820 -2.211 -0.608 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.260 -3.098 0.290 1.00 0.00 C ATOM 0 H PHE A 161 -5.996 -3.967 -4.307 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.329 -5.612 -1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.352 -5.509 -3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.654 -3.860 -3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.479 -5.976 -0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -3.052 -1.983 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.065 -5.148 0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.636 -1.152 -0.508 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.636 -2.734 1.092 1.00 0.00 H new ATOM 854 N TYR A 162 -5.624 -3.727 -0.322 1.00 0.00 N ATOM 855 CA TYR A 162 -6.015 -2.685 0.621 1.00 0.00 C ATOM 856 C TYR A 162 -5.017 -2.589 1.771 1.00 0.00 C ATOM 857 O TYR A 162 -4.728 -3.579 2.443 1.00 0.00 O ATOM 858 CB TYR A 162 -7.416 -2.965 1.169 1.00 0.00 C ATOM 859 CG TYR A 162 -8.526 -2.578 0.218 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.750 -1.247 -0.115 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.350 -3.542 -0.348 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.764 -0.889 -0.982 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.365 -3.194 -1.217 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.569 -1.866 -1.531 1.00 0.00 C ATOM 865 OH TYR A 162 -11.579 -1.513 -2.396 1.00 0.00 O ATOM 0 H TYR A 162 -5.351 -4.608 0.112 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.023 -1.733 0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.501 -4.027 1.401 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.546 -2.423 2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.121 -0.480 0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.194 -4.582 -0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.926 0.150 -1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -10.996 -3.957 -1.649 1.00 0.00 H new ATOM 0 HH TYR A 162 -11.281 -0.770 -2.962 1.00 0.00 H new ATOM 875 N CYS A 163 -4.493 -1.388 1.991 1.00 0.00 N ATOM 876 CA CYS A 163 -3.527 -1.158 3.059 1.00 0.00 C ATOM 877 C CYS A 163 -4.110 -1.552 4.413 1.00 0.00 C ATOM 878 O CYS A 163 -5.221 -2.075 4.493 1.00 0.00 O ATOM 879 CB CYS A 163 -3.101 0.311 3.083 1.00 0.00 C ATOM 880 SG CYS A 163 -4.331 1.430 3.825 1.00 0.00 S ATOM 0 H CYS A 163 -4.721 -0.558 1.443 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.653 -1.779 2.864 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.166 0.398 3.636 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.899 0.636 2.062 1.00 0.00 H new ATOM 0 HG CYS A 163 -4.577 2.409 3.006 1.00 0.00 H new ATOM 885 N GLU A 164 -3.351 -1.296 5.474 1.00 0.00 N ATOM 886 CA GLU A 164 -3.793 -1.625 6.825 1.00 0.00 C ATOM 887 C GLU A 164 -5.053 -0.846 7.190 1.00 0.00 C ATOM 888 O GLU A 164 -6.017 -1.411 7.710 1.00 0.00 O ATOM 889 CB GLU A 164 -2.684 -1.323 7.835 1.00 0.00 C ATOM 890 CG GLU A 164 -2.165 0.103 7.762 1.00 0.00 C ATOM 891 CD GLU A 164 -0.711 0.217 8.176 1.00 0.00 C ATOM 892 OE1 GLU A 164 0.168 0.010 7.313 1.00 0.00 O ATOM 893 OE2 GLU A 164 -0.452 0.514 9.361 1.00 0.00 O ATOM 0 H GLU A 164 -2.429 -0.863 5.425 1.00 0.00 H new ATOM 0 HA GLU A 164 -4.023 -2.690 6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.059 -1.513 8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -1.855 -2.011 7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -2.279 0.475 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.773 0.740 8.405 1.00 0.00 H new ATOM 900 N LEU A 165 -5.040 0.453 6.914 1.00 0.00 N ATOM 901 CA LEU A 165 -6.181 1.311 7.213 1.00 0.00 C ATOM 902 C LEU A 165 -7.465 0.732 6.627 1.00 0.00 C ATOM 903 O LEU A 165 -8.417 0.444 7.353 1.00 0.00 O ATOM 904 CB LEU A 165 -5.945 2.718 6.662 1.00 0.00 C ATOM 905 CG LEU A 165 -4.568 3.324 6.936 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.498 4.749 6.410 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.256 3.287 8.425 1.00 0.00 C ATOM 0 H LEU A 165 -4.251 0.936 6.483 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.289 1.366 8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.102 2.695 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.702 3.382 7.080 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.819 2.729 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.511 5.164 6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.677 4.749 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.256 5.357 6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.272 3.722 8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.008 3.858 8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.263 2.254 8.773 1.00 0.00 H new ATOM 919 N CYS A 166 -7.485 0.562 5.309 1.00 0.00 N ATOM 920 CA CYS A 166 -8.650 0.016 4.625 1.00 0.00 C ATOM 921 C CYS A 166 -8.919 -1.419 5.069 1.00 0.00 C ATOM 922 O CYS A 166 -10.070 -1.827 5.224 1.00 0.00 O ATOM 923 CB CYS A 166 -8.446 0.062 3.110 1.00 0.00 C ATOM 924 SG CYS A 166 -8.118 1.730 2.454 1.00 0.00 S ATOM 0 H CYS A 166 -6.706 0.795 4.693 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.513 0.627 4.888 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.614 -0.591 2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.334 -0.341 2.622 1.00 0.00 H new ATOM 0 HG CYS A 166 -7.318 1.645 1.433 1.00 0.00 H new ATOM 929 N ARG A 167 -7.848 -2.180 5.272 1.00 0.00 N ATOM 930 CA ARG A 167 -7.968 -3.570 5.698 1.00 0.00 C ATOM 931 C ARG A 167 -8.835 -3.682 6.948 1.00 0.00 C ATOM 932 O ARG A 167 -9.823 -4.417 6.968 1.00 0.00 O ATOM 933 CB ARG A 167 -6.584 -4.164 5.968 1.00 0.00 C ATOM 934 CG ARG A 167 -5.983 -4.878 4.768 1.00 0.00 C ATOM 935 CD ARG A 167 -5.797 -6.362 5.039 1.00 0.00 C ATOM 936 NE ARG A 167 -4.471 -6.658 5.577 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.088 -7.870 5.962 1.00 0.00 C ATOM 938 NH1 ARG A 167 -4.925 -8.894 5.868 1.00 0.00 N ATOM 939 NH2 ARG A 167 -2.865 -8.060 6.440 1.00 0.00 N ATOM 0 H ARG A 167 -6.888 -1.858 5.148 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.446 -4.131 4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -5.910 -3.366 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.655 -4.865 6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -6.630 -4.744 3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.021 -4.429 4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -6.558 -6.700 5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -5.947 -6.921 4.115 1.00 0.00 H new ATOM 0 HE ARG A 167 -3.803 -5.892 5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -5.865 -8.752 5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -4.629 -9.824 6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.218 -7.275 6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.572 -8.991 6.735 1.00 0.00 H new