USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 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 Single : A 1 THR N :NH3+ 177:sc= -0.34 (180deg=-0.359) USER MOD Single : A 1 THR OG1 : rot 117:sc= 1.15 USER MOD Single : A 2 THR OG1 : rot 139:sc= 1.18 USER MOD Single : A 6 SER OG : rot 180:sc= 0.104 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0332 K(o=-0.033,f=-1.1) USER MOD Single : A 14 ASN : amide:sc=-0.00143 K(o=-0.0014,f=-1.1) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 80:sc= 0.773 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -28:sc= 0.229 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -4.74! C(o=-4.7!,f=-9!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -4.676 -1.675 6.645 1.00 0.00 N ATOM 2 CA THR A 1 -5.074 -2.781 5.756 1.00 0.00 C ATOM 3 C THR A 1 -4.318 -2.720 4.430 1.00 0.00 C ATOM 4 O THR A 1 -4.285 -3.689 3.675 1.00 0.00 O ATOM 5 CB THR A 1 -6.588 -2.733 5.487 1.00 0.00 C ATOM 6 OG1 THR A 1 -6.993 -3.873 4.726 1.00 0.00 O ATOM 7 CG2 THR A 1 -6.984 -1.462 4.749 1.00 0.00 C ATOM 0 H1 THR A 1 -5.241 -1.711 7.518 1.00 0.00 H new ATOM 0 H2 THR A 1 -3.667 -1.765 6.881 1.00 0.00 H new ATOM 0 H3 THR A 1 -4.839 -0.767 6.164 1.00 0.00 H new ATOM 0 HA THR A 1 -4.824 -3.717 6.257 1.00 0.00 H new ATOM 0 HB THR A 1 -7.093 -2.740 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 1 -7.624 -4.409 5.250 1.00 0.00 H new ATOM 0 HG21 THR A 1 -8.060 -1.462 4.576 1.00 0.00 H new ATOM 0 HG22 THR A 1 -6.713 -0.593 5.349 1.00 0.00 H new ATOM 0 HG23 THR A 1 -6.463 -1.419 3.793 1.00 0.00 H new ATOM 17 N THR A 2 -3.675 -1.594 4.179 1.00 0.00 N ATOM 18 CA THR A 2 -2.970 -1.386 2.924 1.00 0.00 C ATOM 19 C THR A 2 -1.694 -2.228 2.878 1.00 0.00 C ATOM 20 O THR A 2 -0.824 -2.104 3.739 1.00 0.00 O ATOM 21 CB THR A 2 -2.596 0.096 2.745 1.00 0.00 C ATOM 22 OG1 THR A 2 -3.683 0.932 3.164 1.00 0.00 O ATOM 23 CG2 THR A 2 -2.252 0.394 1.294 1.00 0.00 C ATOM 0 H THR A 2 -3.626 -0.808 4.827 1.00 0.00 H new ATOM 0 HA THR A 2 -3.637 -1.689 2.117 1.00 0.00 H new ATOM 0 HB THR A 2 -1.721 0.304 3.361 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.332 1.698 3.664 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.991 1.447 1.191 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.406 -0.221 0.987 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.112 0.170 0.663 1.00 0.00 H new ATOM 31 N CYS A 3 -1.612 -3.094 1.880 1.00 0.00 N ATOM 32 CA CYS A 3 -0.435 -3.934 1.673 1.00 0.00 C ATOM 33 C CYS A 3 0.009 -3.861 0.224 1.00 0.00 C ATOM 34 O CYS A 3 -0.803 -3.997 -0.691 1.00 0.00 O ATOM 35 CB CYS A 3 -0.727 -5.386 2.056 1.00 0.00 C ATOM 36 SG CYS A 3 -1.123 -5.632 3.820 1.00 0.00 S ATOM 0 H CYS A 3 -2.352 -3.237 1.193 1.00 0.00 H new ATOM 0 HA CYS A 3 0.366 -3.563 2.313 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.561 -5.747 1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.138 -5.998 1.801 1.00 0.00 H new ATOM 41 N CYS A 4 1.290 -3.626 0.012 1.00 0.00 N ATOM 42 CA CYS A 4 1.800 -3.444 -1.338 1.00 0.00 C ATOM 43 C CYS A 4 2.412 -4.739 -1.880 1.00 0.00 C ATOM 44 O CYS A 4 2.706 -5.651 -1.112 1.00 0.00 O ATOM 45 CB CYS A 4 2.811 -2.304 -1.354 1.00 0.00 C ATOM 46 SG CYS A 4 2.116 -0.696 -0.832 1.00 0.00 S ATOM 0 H CYS A 4 1.993 -3.557 0.748 1.00 0.00 H new ATOM 0 HA CYS A 4 0.970 -3.185 -1.995 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.644 -2.560 -0.699 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.217 -2.204 -2.361 1.00 0.00 H new ATOM 51 N PRO A 5 2.563 -4.849 -3.222 1.00 0.00 N ATOM 52 CA PRO A 5 3.128 -6.043 -3.873 1.00 0.00 C ATOM 53 C PRO A 5 4.465 -6.499 -3.294 1.00 0.00 C ATOM 54 O PRO A 5 4.530 -7.488 -2.566 1.00 0.00 O ATOM 55 CB PRO A 5 3.310 -5.590 -5.321 1.00 0.00 C ATOM 56 CG PRO A 5 2.246 -4.579 -5.523 1.00 0.00 C ATOM 57 CD PRO A 5 2.153 -3.835 -4.220 1.00 0.00 C ATOM 0 HA PRO A 5 2.476 -6.906 -3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.300 -5.164 -5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.204 -6.424 -6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.494 -3.906 -6.344 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.297 -5.052 -5.774 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.811 -2.966 -4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.142 -3.473 -4.034 1.00 0.00 H new ATOM 65 N SER A 6 5.535 -5.800 -3.642 1.00 0.00 N ATOM 66 CA SER A 6 6.854 -6.162 -3.159 1.00 0.00 C ATOM 67 C SER A 6 7.437 -5.037 -2.305 1.00 0.00 C ATOM 68 O SER A 6 6.829 -3.970 -2.171 1.00 0.00 O ATOM 69 CB SER A 6 7.778 -6.491 -4.334 1.00 0.00 C ATOM 70 OG SER A 6 8.936 -7.182 -3.898 1.00 0.00 O ATOM 0 H SER A 6 5.514 -4.984 -4.254 1.00 0.00 H new ATOM 0 HA SER A 6 6.766 -7.051 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.242 -7.099 -5.063 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.070 -5.570 -4.840 1.00 0.00 H new ATOM 0 HG SER A 6 9.508 -7.381 -4.669 1.00 0.00 H new ATOM 76 N ILE A 7 8.633 -5.277 -1.771 1.00 0.00 N ATOM 77 CA ILE A 7 9.254 -4.400 -0.778 1.00 0.00 C ATOM 78 C ILE A 7 9.405 -2.973 -1.311 1.00 0.00 C ATOM 79 O ILE A 7 9.082 -2.005 -0.617 1.00 0.00 O ATOM 80 CB ILE A 7 10.650 -4.926 -0.339 1.00 0.00 C ATOM 81 CG1 ILE A 7 10.544 -6.300 0.348 1.00 0.00 C ATOM 82 CG2 ILE A 7 11.330 -3.927 0.583 1.00 0.00 C ATOM 83 CD1 ILE A 7 10.338 -7.457 -0.610 1.00 0.00 C ATOM 0 H ILE A 7 9.201 -6.088 -2.015 1.00 0.00 H new ATOM 0 HA ILE A 7 8.590 -4.394 0.086 1.00 0.00 H new ATOM 0 HB ILE A 7 11.255 -5.046 -1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.452 -6.477 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.716 -6.277 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.306 -4.312 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.458 -2.979 0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.715 -3.773 1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.274 -8.388 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.415 -7.306 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.178 -7.509 -1.303 1.00 0.00 H new ATOM 95 N VAL A 8 9.893 -2.851 -2.538 1.00 0.00 N ATOM 96 CA VAL A 8 10.099 -1.543 -3.157 1.00 0.00 C ATOM 97 C VAL A 8 8.788 -0.762 -3.251 1.00 0.00 C ATOM 98 O VAL A 8 8.758 0.443 -2.995 1.00 0.00 O ATOM 99 CB VAL A 8 10.728 -1.675 -4.563 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.792 -0.331 -5.273 1.00 0.00 C ATOM 101 CG2 VAL A 8 12.120 -2.272 -4.467 1.00 0.00 C ATOM 0 H VAL A 8 10.155 -3.641 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 8 10.790 -0.994 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 8 10.091 -2.339 -5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.240 -0.461 -6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.785 0.071 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.398 0.361 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.549 -2.358 -5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.751 -1.627 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.061 -3.260 -4.011 1.00 0.00 H new ATOM 111 N ALA A 9 7.706 -1.457 -3.587 1.00 0.00 N ATOM 112 CA ALA A 9 6.397 -0.823 -3.715 1.00 0.00 C ATOM 113 C ALA A 9 5.942 -0.240 -2.384 1.00 0.00 C ATOM 114 O ALA A 9 5.456 0.889 -2.322 1.00 0.00 O ATOM 115 CB ALA A 9 5.366 -1.816 -4.230 1.00 0.00 C ATOM 0 H ALA A 9 7.709 -2.459 -3.776 1.00 0.00 H new ATOM 0 HA ALA A 9 6.489 -0.010 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.398 -1.323 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.674 -2.187 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.286 -2.651 -3.534 1.00 0.00 H new ATOM 121 N ARG A 10 6.116 -1.009 -1.315 1.00 0.00 N ATOM 122 CA ARG A 10 5.723 -0.561 0.015 1.00 0.00 C ATOM 123 C ARG A 10 6.602 0.604 0.457 1.00 0.00 C ATOM 124 O ARG A 10 6.127 1.552 1.085 1.00 0.00 O ATOM 125 CB ARG A 10 5.832 -1.704 1.026 1.00 0.00 C ATOM 126 CG ARG A 10 5.272 -1.362 2.400 1.00 0.00 C ATOM 127 CD ARG A 10 3.761 -1.182 2.354 1.00 0.00 C ATOM 128 NE ARG A 10 3.218 -0.724 3.633 1.00 0.00 N ATOM 129 CZ ARG A 10 2.516 -1.498 4.467 1.00 0.00 C ATOM 130 NH1 ARG A 10 2.268 -2.759 4.160 1.00 0.00 N ATOM 131 NH2 ARG A 10 2.077 -1.023 5.620 1.00 0.00 N ATOM 0 H ARG A 10 6.525 -1.943 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 10 4.685 -0.232 -0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.305 -2.574 0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.880 -1.986 1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.524 -2.154 3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.738 -0.448 2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.506 -0.463 1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.293 -2.128 2.080 1.00 0.00 H new ATOM 0 HE ARG A 10 3.385 0.245 3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.613 -3.147 3.282 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.732 -3.344 4.801 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.273 -0.057 5.881 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.542 -1.623 6.248 1.00 0.00 H new ATOM 145 N SER A 11 7.882 0.527 0.110 1.00 0.00 N ATOM 146 CA SER A 11 8.827 1.583 0.437 1.00 0.00 C ATOM 147 C SER A 11 8.411 2.887 -0.246 1.00 0.00 C ATOM 148 O SER A 11 8.302 3.931 0.401 1.00 0.00 O ATOM 149 CB SER A 11 10.246 1.178 0.014 1.00 0.00 C ATOM 150 OG SER A 11 11.210 2.093 0.505 1.00 0.00 O ATOM 0 H SER A 11 8.288 -0.258 -0.399 1.00 0.00 H new ATOM 0 HA SER A 11 8.824 1.740 1.516 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.468 0.178 0.387 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.305 1.133 -1.073 1.00 0.00 H new ATOM 0 HG SER A 11 12.104 1.809 0.222 1.00 0.00 H new ATOM 156 N ASN A 12 8.138 2.807 -1.550 1.00 0.00 N ATOM 157 CA ASN A 12 7.687 3.968 -2.318 1.00 0.00 C ATOM 158 C ASN A 12 6.365 4.490 -1.781 1.00 0.00 C ATOM 159 O ASN A 12 6.124 5.695 -1.767 1.00 0.00 O ATOM 160 CB ASN A 12 7.529 3.620 -3.803 1.00 0.00 C ATOM 161 CG ASN A 12 8.857 3.416 -4.503 1.00 0.00 C ATOM 162 OD1 ASN A 12 9.869 3.998 -4.119 1.00 0.00 O ATOM 163 ND2 ASN A 12 8.857 2.598 -5.545 1.00 0.00 N ATOM 0 H ASN A 12 8.222 1.949 -2.096 1.00 0.00 H new ATOM 0 HA ASN A 12 8.447 4.742 -2.215 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.931 2.714 -3.897 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.979 4.418 -4.302 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.720 2.431 -6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.994 2.135 -5.830 1.00 0.00 H new ATOM 170 N PHE A 13 5.514 3.572 -1.345 1.00 0.00 N ATOM 171 CA PHE A 13 4.230 3.924 -0.760 1.00 0.00 C ATOM 172 C PHE A 13 4.427 4.791 0.479 1.00 0.00 C ATOM 173 O PHE A 13 3.813 5.852 0.615 1.00 0.00 O ATOM 174 CB PHE A 13 3.450 2.654 -0.403 1.00 0.00 C ATOM 175 CG PHE A 13 2.135 2.908 0.275 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.015 3.250 -0.462 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.022 2.801 1.652 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.195 3.481 0.159 1.00 0.00 C ATOM 179 CE2 PHE A 13 0.815 3.031 2.279 1.00 0.00 C ATOM 180 CZ PHE A 13 -0.295 3.372 1.531 1.00 0.00 C ATOM 0 H PHE A 13 5.693 2.569 -1.387 1.00 0.00 H new ATOM 0 HA PHE A 13 3.658 4.495 -1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.272 2.083 -1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.067 2.033 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.089 3.337 -1.536 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.888 2.535 2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.062 3.747 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.738 2.945 3.353 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.241 3.553 2.020 1.00 0.00 H new ATOM 190 N ASN A 14 5.306 4.349 1.366 1.00 0.00 N ATOM 191 CA ASN A 14 5.565 5.072 2.604 1.00 0.00 C ATOM 192 C ASN A 14 6.216 6.417 2.323 1.00 0.00 C ATOM 193 O ASN A 14 5.882 7.419 2.954 1.00 0.00 O ATOM 194 CB ASN A 14 6.448 4.251 3.543 1.00 0.00 C ATOM 195 CG ASN A 14 5.747 3.006 4.054 1.00 0.00 C ATOM 196 OD1 ASN A 14 4.522 2.942 4.101 1.00 0.00 O ATOM 197 ND2 ASN A 14 6.521 2.017 4.464 1.00 0.00 N ATOM 0 H ASN A 14 5.852 3.495 1.253 1.00 0.00 H new ATOM 0 HA ASN A 14 4.605 5.245 3.091 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.360 3.963 3.020 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.747 4.869 4.389 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.104 1.163 4.835 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.536 2.107 4.409 1.00 0.00 H new ATOM 204 N VAL A 15 7.137 6.434 1.365 1.00 0.00 N ATOM 205 CA VAL A 15 7.788 7.673 0.955 1.00 0.00 C ATOM 206 C VAL A 15 6.774 8.629 0.332 1.00 0.00 C ATOM 207 O VAL A 15 6.843 9.837 0.534 1.00 0.00 O ATOM 208 CB VAL A 15 8.937 7.403 -0.042 1.00 0.00 C ATOM 209 CG1 VAL A 15 9.549 8.704 -0.541 1.00 0.00 C ATOM 210 CG2 VAL A 15 10.002 6.541 0.611 1.00 0.00 C ATOM 0 H VAL A 15 7.449 5.605 0.859 1.00 0.00 H new ATOM 0 HA VAL A 15 8.212 8.133 1.848 1.00 0.00 H new ATOM 0 HB VAL A 15 8.524 6.873 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.355 8.482 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.785 9.296 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.947 9.267 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.807 6.357 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.401 7.055 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.564 5.591 0.917 1.00 0.00 H new ATOM 220 N CYS A 16 5.822 8.075 -0.403 1.00 0.00 N ATOM 221 CA CYS A 16 4.781 8.874 -1.033 1.00 0.00 C ATOM 222 C CYS A 16 3.898 9.538 0.020 1.00 0.00 C ATOM 223 O CYS A 16 3.514 10.697 -0.122 1.00 0.00 O ATOM 224 CB CYS A 16 3.935 8.005 -1.967 1.00 0.00 C ATOM 225 SG CYS A 16 2.487 8.859 -2.669 1.00 0.00 S ATOM 0 H CYS A 16 5.748 7.073 -0.578 1.00 0.00 H new ATOM 0 HA CYS A 16 5.259 9.657 -1.622 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.564 7.648 -2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.595 7.126 -1.419 1.00 0.00 H new ATOM 230 N ARG A 17 3.603 8.812 1.093 1.00 0.00 N ATOM 231 CA ARG A 17 2.727 9.329 2.138 1.00 0.00 C ATOM 232 C ARG A 17 3.471 10.296 3.064 1.00 0.00 C ATOM 233 O ARG A 17 2.848 11.080 3.779 1.00 0.00 O ATOM 234 CB ARG A 17 2.103 8.176 2.944 1.00 0.00 C ATOM 235 CG ARG A 17 1.178 8.655 4.049 1.00 0.00 C ATOM 236 CD ARG A 17 -0.068 7.794 4.163 1.00 0.00 C ATOM 237 NE ARG A 17 0.161 6.512 4.844 1.00 0.00 N ATOM 238 CZ ARG A 17 0.296 6.378 6.165 1.00 0.00 C ATOM 239 NH1 ARG A 17 0.552 7.431 6.931 1.00 0.00 N ATOM 240 NH2 ARG A 17 0.232 5.169 6.704 1.00 0.00 N ATOM 0 H ARG A 17 3.955 7.870 1.262 1.00 0.00 H new ATOM 0 HA ARG A 17 1.925 9.885 1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.546 7.527 2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.899 7.573 3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.713 8.646 4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.888 9.688 3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.835 8.350 4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.458 7.600 3.164 1.00 0.00 H new ATOM 0 HE ARG A 17 0.221 5.671 4.270 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.648 8.356 6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.653 7.316 7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.081 4.353 6.110 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.334 5.054 7.712 1.00 0.00 H new ATOM 254 N LEU A 18 4.801 10.258 3.012 1.00 0.00 N ATOM 255 CA LEU A 18 5.649 11.065 3.899 1.00 0.00 C ATOM 256 C LEU A 18 5.310 12.570 3.845 1.00 0.00 C ATOM 257 O LEU A 18 5.102 13.186 4.892 1.00 0.00 O ATOM 258 CB LEU A 18 7.131 10.847 3.565 1.00 0.00 C ATOM 259 CG LEU A 18 8.123 11.561 4.486 1.00 0.00 C ATOM 260 CD1 LEU A 18 7.989 11.046 5.911 1.00 0.00 C ATOM 261 CD2 LEU A 18 9.546 11.377 3.979 1.00 0.00 C ATOM 0 H LEU A 18 5.322 9.672 2.360 1.00 0.00 H new ATOM 0 HA LEU A 18 5.449 10.728 4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.339 9.777 3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.308 11.178 2.542 1.00 0.00 H new ATOM 0 HG LEU A 18 7.894 12.627 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.701 11.564 6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.976 11.229 6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.193 9.976 5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.239 11.891 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.788 10.315 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.631 11.794 2.975 1.00 0.00 H new ATOM 273 N PRO A 19 5.262 13.193 2.637 1.00 0.00 N ATOM 274 CA PRO A 19 4.936 14.624 2.491 1.00 0.00 C ATOM 275 C PRO A 19 3.526 14.971 2.982 1.00 0.00 C ATOM 276 O PRO A 19 3.211 16.139 3.211 1.00 0.00 O ATOM 277 CB PRO A 19 5.058 14.875 0.981 1.00 0.00 C ATOM 278 CG PRO A 19 4.940 13.533 0.353 1.00 0.00 C ATOM 279 CD PRO A 19 5.553 12.576 1.329 1.00 0.00 C ATOM 0 HA PRO A 19 5.598 15.245 3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.274 15.545 0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.011 15.343 0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.897 13.281 0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.459 13.502 -0.605 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.114 11.581 1.247 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.625 12.466 1.166 1.00 0.00 H new ATOM 287 N GLY A 20 2.684 13.956 3.147 1.00 0.00 N ATOM 288 CA GLY A 20 1.327 14.181 3.616 1.00 0.00 C ATOM 289 C GLY A 20 0.276 13.774 2.600 1.00 0.00 C ATOM 290 O GLY A 20 -0.833 14.310 2.590 1.00 0.00 O ATOM 0 H GLY A 20 2.917 12.980 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.169 13.622 4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.202 15.236 3.858 1.00 0.00 H new ATOM 294 N THR A 21 0.625 12.827 1.747 1.00 0.00 N ATOM 295 CA THR A 21 -0.299 12.298 0.761 1.00 0.00 C ATOM 296 C THR A 21 -1.015 11.058 1.306 1.00 0.00 C ATOM 297 O THR A 21 -0.379 10.147 1.829 1.00 0.00 O ATOM 298 CB THR A 21 0.452 11.964 -0.543 1.00 0.00 C ATOM 299 OG1 THR A 21 1.188 13.120 -0.973 1.00 0.00 O ATOM 300 CG2 THR A 21 -0.505 11.538 -1.644 1.00 0.00 C ATOM 0 H THR A 21 1.553 12.405 1.719 1.00 0.00 H new ATOM 0 HA THR A 21 -1.052 13.056 0.544 1.00 0.00 H new ATOM 0 HB THR A 21 1.129 11.134 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.669 12.912 -1.801 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.059 11.310 -2.548 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.054 10.652 -1.326 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.207 12.346 -1.848 1.00 0.00 H new ATOM 308 N PRO A 22 -2.360 11.038 1.218 1.00 0.00 N ATOM 309 CA PRO A 22 -3.191 9.942 1.742 1.00 0.00 C ATOM 310 C PRO A 22 -2.847 8.584 1.137 1.00 0.00 C ATOM 311 O PRO A 22 -2.349 8.499 0.009 1.00 0.00 O ATOM 312 CB PRO A 22 -4.613 10.350 1.347 1.00 0.00 C ATOM 313 CG PRO A 22 -4.543 11.822 1.156 1.00 0.00 C ATOM 314 CD PRO A 22 -3.178 12.090 0.601 1.00 0.00 C ATOM 0 HA PRO A 22 -3.044 9.813 2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.930 9.847 0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.331 10.085 2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.319 12.166 0.472 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.693 12.348 2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.165 12.026 -0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.823 13.086 0.866 1.00 0.00 H new ATOM 322 N GLU A 23 -3.141 7.526 1.887 1.00 0.00 N ATOM 323 CA GLU A 23 -2.802 6.171 1.477 1.00 0.00 C ATOM 324 C GLU A 23 -3.407 5.825 0.123 1.00 0.00 C ATOM 325 O GLU A 23 -2.714 5.319 -0.755 1.00 0.00 O ATOM 326 CB GLU A 23 -3.273 5.146 2.505 1.00 0.00 C ATOM 327 CG GLU A 23 -2.664 5.321 3.881 1.00 0.00 C ATOM 328 CD GLU A 23 -2.258 4.003 4.503 1.00 0.00 C ATOM 329 OE1 GLU A 23 -3.137 3.143 4.709 1.00 0.00 O ATOM 330 OE2 GLU A 23 -1.055 3.828 4.785 1.00 0.00 O ATOM 0 H GLU A 23 -3.617 7.584 2.788 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.715 6.134 1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.358 5.206 2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.036 4.147 2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.791 5.970 3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.381 5.821 4.532 1.00 0.00 H new ATOM 337 N ALA A 24 -4.696 6.114 -0.043 1.00 0.00 N ATOM 338 CA ALA A 24 -5.416 5.748 -1.257 1.00 0.00 C ATOM 339 C ALA A 24 -4.765 6.348 -2.498 1.00 0.00 C ATOM 340 O ALA A 24 -4.678 5.695 -3.538 1.00 0.00 O ATOM 341 CB ALA A 24 -6.870 6.184 -1.170 1.00 0.00 C ATOM 0 H ALA A 24 -5.263 6.602 0.651 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.375 4.662 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.390 5.902 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.345 5.698 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.919 7.266 -1.044 1.00 0.00 H new ATOM 347 N LEU A 25 -4.284 7.579 -2.376 1.00 0.00 N ATOM 348 CA LEU A 25 -3.696 8.285 -3.482 1.00 0.00 C ATOM 349 C LEU A 25 -2.378 7.644 -3.896 1.00 0.00 C ATOM 350 O LEU A 25 -2.088 7.498 -5.083 1.00 0.00 O ATOM 351 CB LEU A 25 -3.483 9.740 -3.086 1.00 0.00 C ATOM 352 CG LEU A 25 -4.657 10.691 -3.364 1.00 0.00 C ATOM 353 CD1 LEU A 25 -5.030 10.671 -4.837 1.00 0.00 C ATOM 354 CD2 LEU A 25 -5.865 10.332 -2.511 1.00 0.00 C ATOM 0 H LEU A 25 -4.296 8.107 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.370 8.236 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.256 9.777 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.605 10.115 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.338 11.699 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.863 11.352 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.174 10.986 -5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.321 9.661 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.681 11.021 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.180 9.313 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.600 10.404 -1.456 1.00 0.00 H new ATOM 366 N CYS A 26 -1.584 7.251 -2.910 1.00 0.00 N ATOM 367 CA CYS A 26 -0.312 6.596 -3.176 1.00 0.00 C ATOM 368 C CYS A 26 -0.520 5.149 -3.621 1.00 0.00 C ATOM 369 O CYS A 26 0.203 4.650 -4.482 1.00 0.00 O ATOM 370 CB CYS A 26 0.578 6.644 -1.934 1.00 0.00 C ATOM 371 SG CYS A 26 0.990 8.333 -1.407 1.00 0.00 S ATOM 0 H CYS A 26 -1.798 7.374 -1.920 1.00 0.00 H new ATOM 0 HA CYS A 26 0.181 7.132 -3.987 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.075 6.128 -1.116 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.500 6.099 -2.136 1.00 0.00 H new ATOM 376 N ALA A 27 -1.520 4.488 -3.041 1.00 0.00 N ATOM 377 CA ALA A 27 -1.827 3.100 -3.370 1.00 0.00 C ATOM 378 C ALA A 27 -2.114 2.933 -4.851 1.00 0.00 C ATOM 379 O ALA A 27 -1.549 2.059 -5.502 1.00 0.00 O ATOM 380 CB ALA A 27 -3.009 2.606 -2.553 1.00 0.00 C ATOM 0 H ALA A 27 -2.134 4.896 -2.336 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.950 2.502 -3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.223 1.569 -2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.771 2.673 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.883 3.221 -2.768 1.00 0.00 H new ATOM 386 N THR A 28 -2.976 3.786 -5.379 1.00 0.00 N ATOM 387 CA THR A 28 -3.360 3.719 -6.778 1.00 0.00 C ATOM 388 C THR A 28 -2.156 3.935 -7.692 1.00 0.00 C ATOM 389 O THR A 28 -2.030 3.298 -8.737 1.00 0.00 O ATOM 390 CB THR A 28 -4.428 4.779 -7.090 1.00 0.00 C ATOM 391 OG1 THR A 28 -5.473 4.716 -6.115 1.00 0.00 O ATOM 392 CG2 THR A 28 -5.019 4.569 -8.474 1.00 0.00 C ATOM 0 H THR A 28 -3.425 4.537 -4.855 1.00 0.00 H new ATOM 0 HA THR A 28 -3.766 2.724 -6.961 1.00 0.00 H new ATOM 0 HB THR A 28 -3.951 5.759 -7.060 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.186 5.175 -5.298 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.772 5.333 -8.668 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.229 4.640 -9.222 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.481 3.583 -8.527 1.00 0.00 H new ATOM 400 N TYR A 29 -1.257 4.810 -7.266 1.00 0.00 N ATOM 401 CA TYR A 29 -0.128 5.199 -8.088 1.00 0.00 C ATOM 402 C TYR A 29 0.966 4.133 -8.076 1.00 0.00 C ATOM 403 O TYR A 29 1.595 3.875 -9.099 1.00 0.00 O ATOM 404 CB TYR A 29 0.429 6.542 -7.610 1.00 0.00 C ATOM 405 CG TYR A 29 1.378 7.176 -8.596 1.00 0.00 C ATOM 406 CD1 TYR A 29 0.893 7.900 -9.676 1.00 0.00 C ATOM 407 CD2 TYR A 29 2.753 7.050 -8.452 1.00 0.00 C ATOM 408 CE1 TYR A 29 1.753 8.476 -10.590 1.00 0.00 C ATOM 409 CE2 TYR A 29 3.619 7.625 -9.363 1.00 0.00 C ATOM 410 CZ TYR A 29 3.112 8.337 -10.428 1.00 0.00 C ATOM 411 OH TYR A 29 3.967 8.913 -11.336 1.00 0.00 O ATOM 0 H TYR A 29 -1.291 5.263 -6.353 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.477 5.302 -9.115 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.399 7.225 -7.422 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.945 6.397 -6.661 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.173 8.015 -9.804 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.152 6.495 -7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.361 9.033 -11.428 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.687 7.517 -9.241 1.00 0.00 H new ATOM 0 HH TYR A 29 4.893 8.723 -11.079 1.00 0.00 H new ATOM 421 N THR A 30 1.187 3.502 -6.931 1.00 0.00 N ATOM 422 CA THR A 30 2.263 2.525 -6.819 1.00 0.00 C ATOM 423 C THR A 30 1.748 1.102 -7.056 1.00 0.00 C ATOM 424 O THR A 30 2.528 0.150 -7.132 1.00 0.00 O ATOM 425 CB THR A 30 2.974 2.614 -5.447 1.00 0.00 C ATOM 426 OG1 THR A 30 4.200 1.873 -5.477 1.00 0.00 O ATOM 427 CG2 THR A 30 2.095 2.081 -4.324 1.00 0.00 C ATOM 0 H THR A 30 0.646 3.645 -6.078 1.00 0.00 H new ATOM 0 HA THR A 30 2.991 2.763 -7.594 1.00 0.00 H new ATOM 0 HB THR A 30 3.180 3.667 -5.254 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.127 1.146 -6.130 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.628 2.160 -3.376 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.176 2.665 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.851 1.036 -4.517 1.00 0.00 H new ATOM 435 N GLY A 31 0.438 0.962 -7.194 1.00 0.00 N ATOM 436 CA GLY A 31 -0.142 -0.347 -7.418 1.00 0.00 C ATOM 437 C GLY A 31 -0.275 -1.139 -6.134 1.00 0.00 C ATOM 438 O GLY A 31 -0.108 -2.356 -6.119 1.00 0.00 O ATOM 0 H GLY A 31 -0.233 1.729 -7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.124 -0.234 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.477 -0.902 -8.123 1.00 0.00 H new ATOM 442 N CYS A 32 -0.575 -0.439 -5.055 1.00 0.00 N ATOM 443 CA CYS A 32 -0.756 -1.063 -3.755 1.00 0.00 C ATOM 444 C CYS A 32 -2.238 -1.368 -3.561 1.00 0.00 C ATOM 445 O CYS A 32 -3.088 -0.696 -4.149 1.00 0.00 O ATOM 446 CB CYS A 32 -0.234 -0.124 -2.666 1.00 0.00 C ATOM 447 SG CYS A 32 0.103 -0.912 -1.065 1.00 0.00 S ATOM 0 H CYS A 32 -0.700 0.573 -5.054 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.196 -1.996 -3.694 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.683 0.346 -3.022 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.963 0.673 -2.515 1.00 0.00 H new ATOM 452 N ILE A 33 -2.553 -2.368 -2.752 1.00 0.00 N ATOM 453 CA ILE A 33 -3.929 -2.850 -2.666 1.00 0.00 C ATOM 454 C ILE A 33 -4.517 -2.649 -1.271 1.00 0.00 C ATOM 455 O ILE A 33 -3.797 -2.672 -0.268 1.00 0.00 O ATOM 456 CB ILE A 33 -4.046 -4.340 -3.075 1.00 0.00 C ATOM 457 CG1 ILE A 33 -3.103 -5.214 -2.242 1.00 0.00 C ATOM 458 CG2 ILE A 33 -3.763 -4.511 -4.563 1.00 0.00 C ATOM 459 CD1 ILE A 33 -3.174 -6.689 -2.582 1.00 0.00 C ATOM 0 H ILE A 33 -1.888 -2.857 -2.153 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.505 -2.252 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.068 -4.665 -2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.080 -4.867 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.339 -5.083 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.850 -5.564 -4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.482 -3.929 -5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.754 -4.162 -4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.478 -7.242 -1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.187 -7.053 -2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.908 -6.834 -3.629 1.00 0.00 H new ATOM 471 N ILE A 34 -5.829 -2.445 -1.226 1.00 0.00 N ATOM 472 CA ILE A 34 -6.542 -2.167 0.015 1.00 0.00 C ATOM 473 C ILE A 34 -7.830 -2.981 0.077 1.00 0.00 C ATOM 474 O ILE A 34 -8.598 -3.018 -0.885 1.00 0.00 O ATOM 475 CB ILE A 34 -6.898 -0.667 0.129 1.00 0.00 C ATOM 476 CG1 ILE A 34 -5.632 0.181 0.046 1.00 0.00 C ATOM 477 CG2 ILE A 34 -7.641 -0.380 1.425 1.00 0.00 C ATOM 478 CD1 ILE A 34 -5.886 1.674 0.066 1.00 0.00 C ATOM 0 H ILE A 34 -6.429 -2.468 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.886 -2.442 0.840 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.554 -0.408 -0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.979 -0.077 0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.096 -0.073 -0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.879 0.682 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.563 -0.961 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.014 -0.655 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.936 2.205 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.512 1.948 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.393 1.944 0.992 1.00 0.00 H new ATOM 490 N ILE A 35 -8.059 -3.638 1.202 1.00 0.00 N ATOM 491 CA ILE A 35 -9.297 -4.388 1.401 1.00 0.00 C ATOM 492 C ILE A 35 -10.081 -3.833 2.589 1.00 0.00 C ATOM 493 O ILE A 35 -9.517 -3.158 3.448 1.00 0.00 O ATOM 494 CB ILE A 35 -9.041 -5.900 1.616 1.00 0.00 C ATOM 495 CG1 ILE A 35 -8.044 -6.131 2.759 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.554 -6.549 0.327 1.00 0.00 C ATOM 497 CD1 ILE A 35 -7.832 -7.591 3.102 1.00 0.00 C ATOM 0 H ILE A 35 -7.411 -3.670 1.989 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.881 -4.271 0.488 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.984 -6.369 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.086 -5.689 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.396 -5.607 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.380 -7.611 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.308 -6.426 -0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.625 -6.075 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.115 -7.672 3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.780 -8.035 3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.449 -8.118 2.228 1.00 0.00 H new ATOM 509 N PRO A 36 -11.403 -4.086 2.640 1.00 0.00 N ATOM 510 CA PRO A 36 -12.259 -3.616 3.738 1.00 0.00 C ATOM 511 C PRO A 36 -11.863 -4.205 5.092 1.00 0.00 C ATOM 512 O PRO A 36 -11.982 -3.543 6.123 1.00 0.00 O ATOM 513 CB PRO A 36 -13.660 -4.099 3.344 1.00 0.00 C ATOM 514 CG PRO A 36 -13.581 -4.354 1.879 1.00 0.00 C ATOM 515 CD PRO A 36 -12.177 -4.822 1.626 1.00 0.00 C ATOM 0 HA PRO A 36 -12.183 -2.536 3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.933 -5.003 3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.416 -3.348 3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.307 -5.107 1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.801 -3.450 1.311 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.082 -5.901 1.748 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.847 -4.585 0.614 1.00 0.00 H new ATOM 523 N GLY A 37 -11.407 -5.455 5.084 1.00 0.00 N ATOM 524 CA GLY A 37 -11.016 -6.113 6.315 1.00 0.00 C ATOM 525 C GLY A 37 -9.698 -5.588 6.857 1.00 0.00 C ATOM 526 O GLY A 37 -8.779 -5.301 6.096 1.00 0.00 O ATOM 0 H GLY A 37 -11.302 -6.024 4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.796 -5.972 7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.933 -7.186 6.140 1.00 0.00 H new ATOM 530 N ALA A 38 -9.601 -5.482 8.176 1.00 0.00 N ATOM 531 CA ALA A 38 -8.404 -4.962 8.820 1.00 0.00 C ATOM 532 C ALA A 38 -7.393 -6.078 9.085 1.00 0.00 C ATOM 533 O ALA A 38 -6.840 -6.185 10.180 1.00 0.00 O ATOM 534 CB ALA A 38 -8.784 -4.264 10.120 1.00 0.00 C ATOM 0 H ALA A 38 -10.342 -5.751 8.823 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.934 -4.241 8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.886 -3.876 10.600 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.466 -3.441 9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.273 -4.976 10.786 1.00 0.00 H new ATOM 540 N THR A 39 -7.149 -6.906 8.080 1.00 0.00 N ATOM 541 CA THR A 39 -6.212 -8.013 8.208 1.00 0.00 C ATOM 542 C THR A 39 -5.560 -8.317 6.866 1.00 0.00 C ATOM 543 O THR A 39 -6.241 -8.403 5.847 1.00 0.00 O ATOM 544 CB THR A 39 -6.915 -9.276 8.738 1.00 0.00 C ATOM 545 OG1 THR A 39 -7.560 -8.981 9.984 1.00 0.00 O ATOM 546 CG2 THR A 39 -5.926 -10.418 8.937 1.00 0.00 C ATOM 0 H THR A 39 -7.589 -6.832 7.163 1.00 0.00 H new ATOM 0 HA THR A 39 -5.444 -7.716 8.922 1.00 0.00 H new ATOM 0 HB THR A 39 -7.654 -9.588 8.000 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.008 -9.786 10.319 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.454 -11.295 9.312 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.452 -10.659 7.985 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.164 -10.118 9.656 1.00 0.00 H new ATOM 554 N CYS A 40 -4.247 -8.465 6.876 1.00 0.00 N ATOM 555 CA CYS A 40 -3.502 -8.712 5.657 1.00 0.00 C ATOM 556 C CYS A 40 -3.062 -10.172 5.596 1.00 0.00 C ATOM 557 O CYS A 40 -2.347 -10.649 6.478 1.00 0.00 O ATOM 558 CB CYS A 40 -2.288 -7.784 5.604 1.00 0.00 C ATOM 559 SG CYS A 40 -1.525 -7.617 3.958 1.00 0.00 S ATOM 0 H CYS A 40 -3.674 -8.418 7.719 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.140 -8.511 4.797 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.588 -6.796 5.952 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.536 -8.152 6.302 1.00 0.00 H new ATOM 564 N PRO A 41 -3.504 -10.899 4.562 1.00 0.00 N ATOM 565 CA PRO A 41 -3.149 -12.310 4.368 1.00 0.00 C ATOM 566 C PRO A 41 -1.642 -12.513 4.221 1.00 0.00 C ATOM 567 O PRO A 41 -0.943 -11.671 3.649 1.00 0.00 O ATOM 568 CB PRO A 41 -3.870 -12.688 3.070 1.00 0.00 C ATOM 569 CG PRO A 41 -4.947 -11.669 2.918 1.00 0.00 C ATOM 570 CD PRO A 41 -4.389 -10.404 3.497 1.00 0.00 C ATOM 0 HA PRO A 41 -3.438 -12.923 5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.188 -12.671 2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.284 -13.695 3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.215 -11.536 1.870 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.852 -11.974 3.443 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.842 -9.825 2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.174 -9.758 3.890 1.00 0.00 H new ATOM 578 N GLY A 42 -1.150 -13.641 4.723 1.00 0.00 N ATOM 579 CA GLY A 42 0.274 -13.924 4.692 1.00 0.00 C ATOM 580 C GLY A 42 0.735 -14.423 3.344 1.00 0.00 C ATOM 581 O GLY A 42 1.152 -15.571 3.198 1.00 0.00 O ATOM 0 H GLY A 42 -1.718 -14.370 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.826 -13.020 4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.510 -14.669 5.452 1.00 0.00 H new ATOM 585 N ASP A 43 0.636 -13.550 2.366 1.00 0.00 N ATOM 586 CA ASP A 43 1.054 -13.832 0.999 1.00 0.00 C ATOM 587 C ASP A 43 1.337 -12.512 0.300 1.00 0.00 C ATOM 588 O ASP A 43 2.286 -12.382 -0.468 1.00 0.00 O ATOM 589 CB ASP A 43 -0.038 -14.609 0.254 1.00 0.00 C ATOM 590 CG ASP A 43 0.334 -14.923 -1.182 1.00 0.00 C ATOM 591 OD1 ASP A 43 1.150 -15.845 -1.397 1.00 0.00 O ATOM 592 OD2 ASP A 43 -0.209 -14.267 -2.092 1.00 0.00 O ATOM 0 H ASP A 43 0.259 -12.611 2.493 1.00 0.00 H new ATOM 0 HA ASP A 43 1.954 -14.447 1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.239 -15.540 0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.961 -14.030 0.266 1.00 0.00 H new ATOM 597 N TYR A 44 0.517 -11.521 0.625 1.00 0.00 N ATOM 598 CA TYR A 44 0.661 -10.173 0.089 1.00 0.00 C ATOM 599 C TYR A 44 1.023 -9.206 1.204 1.00 0.00 C ATOM 600 O TYR A 44 0.843 -7.994 1.082 1.00 0.00 O ATOM 601 CB TYR A 44 -0.641 -9.720 -0.574 1.00 0.00 C ATOM 602 CG TYR A 44 -0.666 -9.872 -2.077 1.00 0.00 C ATOM 603 CD1 TYR A 44 -0.159 -8.875 -2.904 1.00 0.00 C ATOM 604 CD2 TYR A 44 -1.216 -11.000 -2.669 1.00 0.00 C ATOM 605 CE1 TYR A 44 -0.197 -9.001 -4.281 1.00 0.00 C ATOM 606 CE2 TYR A 44 -1.262 -11.132 -4.044 1.00 0.00 C ATOM 607 CZ TYR A 44 -0.752 -10.133 -4.845 1.00 0.00 C ATOM 608 OH TYR A 44 -0.801 -10.260 -6.215 1.00 0.00 O ATOM 0 H TYR A 44 -0.267 -11.629 1.268 1.00 0.00 H new ATOM 0 HA TYR A 44 1.456 -10.182 -0.657 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.467 -10.291 -0.150 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.816 -8.673 -0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.271 -7.988 -2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.614 -11.787 -2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.204 -8.220 -4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.696 -12.015 -4.489 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.220 -11.114 -6.450 1.00 0.00 H new ATOM 618 N ALA A 45 1.534 -9.757 2.295 1.00 0.00 N ATOM 619 CA ALA A 45 1.885 -8.957 3.456 1.00 0.00 C ATOM 620 C ALA A 45 3.228 -8.265 3.251 1.00 0.00 C ATOM 621 O ALA A 45 4.280 -8.817 3.578 1.00 0.00 O ATOM 622 CB ALA A 45 1.916 -9.818 4.714 1.00 0.00 C ATOM 0 H ALA A 45 1.714 -10.755 2.399 1.00 0.00 H new ATOM 0 HA ALA A 45 1.120 -8.190 3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.181 -9.200 5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.933 -10.261 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.656 -10.609 4.595 1.00 0.00 H new ATOM 628 N ASN A 46 3.187 -7.078 2.675 1.00 0.00 N ATOM 629 CA ASN A 46 4.388 -6.291 2.471 1.00 0.00 C ATOM 630 C ASN A 46 4.103 -4.836 2.793 1.00 0.00 C ATOM 631 O ASN A 46 4.683 -4.320 3.767 1.00 0.00 O ATOM 632 CB ASN A 46 4.887 -6.417 1.039 1.00 0.00 C ATOM 633 CG ASN A 46 6.285 -5.862 0.897 1.00 0.00 C ATOM 634 OD1 ASN A 46 6.481 -4.676 0.661 1.00 0.00 O ATOM 635 ND2 ASN A 46 7.273 -6.727 1.043 1.00 0.00 N ATOM 636 OXT ASN A 46 3.252 -4.229 2.100 1.00 0.00 O ATOM 0 H ASN A 46 2.331 -6.637 2.339 1.00 0.00 H new ATOM 0 HA ASN A 46 5.165 -6.668 3.136 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.876 -7.465 0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.212 -5.886 0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.241 -6.415 0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.068 -7.707 1.239 1.00 0.00 H new