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+ 170:sc= 1.01 (180deg=0.966) USER MOD Single : A 1 THR OG1 : rot 72:sc= -1.74! USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0384 USER MOD Single : A 11 SER OG : rot 79:sc= 1.28 USER MOD Single : A 12 ASN : amide:sc= 0.884 K(o=0.88,f=-0.0047) USER MOD Single : A 14 ASN : amide:sc= -1.2 K(o=-1.2,f=-7.6!) USER MOD Single : A 21 THR OG1 : rot 119:sc= 1.09 USER MOD Single : A 28 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -142:sc= 0.0518 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0508 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.245 -5.788 8.190 1.00 0.00 N ATOM 2 CA THR A 1 -1.890 -5.861 7.623 1.00 0.00 C ATOM 3 C THR A 1 -1.809 -5.047 6.340 1.00 0.00 C ATOM 4 O THR A 1 -2.484 -5.347 5.353 1.00 0.00 O ATOM 5 CB THR A 1 -1.477 -7.317 7.348 1.00 0.00 C ATOM 6 OG1 THR A 1 -1.708 -8.107 8.520 1.00 0.00 O ATOM 7 CG2 THR A 1 -0.010 -7.401 6.958 1.00 0.00 C ATOM 0 H1 THR A 1 -3.335 -6.477 8.964 1.00 0.00 H new ATOM 0 H2 THR A 1 -3.417 -4.830 8.557 1.00 0.00 H new ATOM 0 H3 THR A 1 -3.943 -6.005 7.450 1.00 0.00 H new ATOM 0 HA THR A 1 -1.199 -5.444 8.356 1.00 0.00 H new ATOM 0 HB THR A 1 -2.075 -7.697 6.520 1.00 0.00 H new ATOM 0 HG1 THR A 1 -2.672 -8.237 8.642 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.257 -8.441 6.769 1.00 0.00 H new ATOM 0 HG22 THR A 1 0.161 -6.813 6.057 1.00 0.00 H new ATOM 0 HG23 THR A 1 0.605 -7.010 7.769 1.00 0.00 H new ATOM 17 N THR A 2 -1.010 -3.998 6.383 1.00 0.00 N ATOM 18 CA THR A 2 -0.829 -3.125 5.244 1.00 0.00 C ATOM 19 C THR A 2 0.317 -3.624 4.367 1.00 0.00 C ATOM 20 O THR A 2 1.484 -3.573 4.763 1.00 0.00 O ATOM 21 CB THR A 2 -0.549 -1.686 5.713 1.00 0.00 C ATOM 22 OG1 THR A 2 -1.493 -1.333 6.736 1.00 0.00 O ATOM 23 CG2 THR A 2 -0.653 -0.701 4.558 1.00 0.00 C ATOM 0 H THR A 2 -0.471 -3.729 7.206 1.00 0.00 H new ATOM 0 HA THR A 2 -1.746 -3.130 4.656 1.00 0.00 H new ATOM 0 HB THR A 2 0.467 -1.639 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.319 -0.418 7.040 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.450 0.307 4.920 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.074 -0.964 3.789 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.657 -0.740 4.136 1.00 0.00 H new ATOM 31 N CYS A 3 -0.027 -4.118 3.186 1.00 0.00 N ATOM 32 CA CYS A 3 0.955 -4.671 2.263 1.00 0.00 C ATOM 33 C CYS A 3 0.805 -4.023 0.890 1.00 0.00 C ATOM 34 O CYS A 3 -0.186 -3.343 0.625 1.00 0.00 O ATOM 35 CB CYS A 3 0.772 -6.185 2.137 1.00 0.00 C ATOM 36 SG CYS A 3 1.086 -7.135 3.660 1.00 0.00 S ATOM 0 H CYS A 3 -0.987 -4.147 2.842 1.00 0.00 H new ATOM 0 HA CYS A 3 1.952 -4.464 2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.247 -6.385 1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.438 -6.551 1.356 1.00 0.00 H new ATOM 41 N CYS A 4 1.776 -4.228 0.017 1.00 0.00 N ATOM 42 CA CYS A 4 1.715 -3.657 -1.318 1.00 0.00 C ATOM 43 C CYS A 4 2.207 -4.679 -2.347 1.00 0.00 C ATOM 44 O CYS A 4 3.012 -5.542 -2.021 1.00 0.00 O ATOM 45 CB CYS A 4 2.548 -2.372 -1.365 1.00 0.00 C ATOM 46 SG CYS A 4 2.209 -1.303 -2.802 1.00 0.00 S ATOM 0 H CYS A 4 2.611 -4.782 0.206 1.00 0.00 H new ATOM 0 HA CYS A 4 0.683 -3.405 -1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.366 -1.803 -0.454 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.605 -2.639 -1.368 1.00 0.00 H new ATOM 51 N PRO A 5 1.676 -4.627 -3.584 1.00 0.00 N ATOM 52 CA PRO A 5 2.059 -5.520 -4.686 1.00 0.00 C ATOM 53 C PRO A 5 3.559 -5.810 -4.803 1.00 0.00 C ATOM 54 O PRO A 5 3.941 -6.936 -5.117 1.00 0.00 O ATOM 55 CB PRO A 5 1.575 -4.778 -5.944 1.00 0.00 C ATOM 56 CG PRO A 5 0.894 -3.532 -5.467 1.00 0.00 C ATOM 57 CD PRO A 5 0.605 -3.725 -4.008 1.00 0.00 C ATOM 0 HA PRO A 5 1.618 -6.504 -4.529 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.413 -4.536 -6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.889 -5.399 -6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.530 -2.661 -5.623 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.027 -3.358 -6.023 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.630 -2.782 -3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.380 -4.162 -3.845 1.00 0.00 H new ATOM 65 N SER A 6 4.417 -4.821 -4.552 1.00 0.00 N ATOM 66 CA SER A 6 5.838 -5.004 -4.813 1.00 0.00 C ATOM 67 C SER A 6 6.657 -3.872 -4.223 1.00 0.00 C ATOM 68 O SER A 6 6.104 -2.879 -3.752 1.00 0.00 O ATOM 69 CB SER A 6 6.086 -5.083 -6.324 1.00 0.00 C ATOM 70 OG SER A 6 5.575 -3.937 -6.988 1.00 0.00 O ATOM 0 H SER A 6 4.159 -3.908 -4.178 1.00 0.00 H new ATOM 0 HA SER A 6 6.149 -5.935 -4.339 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.155 -5.171 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.615 -5.980 -6.726 1.00 0.00 H new ATOM 0 HG SER A 6 5.748 -4.012 -7.950 1.00 0.00 H new ATOM 76 N ILE A 7 7.978 -4.020 -4.282 1.00 0.00 N ATOM 77 CA ILE A 7 8.893 -2.991 -3.811 1.00 0.00 C ATOM 78 C ILE A 7 8.690 -1.720 -4.622 1.00 0.00 C ATOM 79 O ILE A 7 8.689 -0.615 -4.082 1.00 0.00 O ATOM 80 CB ILE A 7 10.365 -3.437 -3.935 1.00 0.00 C ATOM 81 CG1 ILE A 7 10.589 -4.770 -3.215 1.00 0.00 C ATOM 82 CG2 ILE A 7 11.291 -2.365 -3.375 1.00 0.00 C ATOM 83 CD1 ILE A 7 11.990 -5.318 -3.383 1.00 0.00 C ATOM 0 H ILE A 7 8.439 -4.850 -4.655 1.00 0.00 H new ATOM 0 HA ILE A 7 8.677 -2.810 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 7 10.595 -3.578 -4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.383 -4.639 -2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.874 -5.502 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.326 -2.693 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.152 -1.438 -3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.058 -2.196 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.078 -6.263 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.192 -5.481 -4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.710 -4.605 -2.981 1.00 0.00 H new ATOM 95 N VAL A 8 8.490 -1.894 -5.922 1.00 0.00 N ATOM 96 CA VAL A 8 8.265 -0.775 -6.824 1.00 0.00 C ATOM 97 C VAL A 8 7.011 -0.010 -6.420 1.00 0.00 C ATOM 98 O VAL A 8 7.053 1.202 -6.206 1.00 0.00 O ATOM 99 CB VAL A 8 8.124 -1.249 -8.287 1.00 0.00 C ATOM 100 CG1 VAL A 8 7.924 -0.069 -9.227 1.00 0.00 C ATOM 101 CG2 VAL A 8 9.335 -2.071 -8.705 1.00 0.00 C ATOM 0 H VAL A 8 8.479 -2.807 -6.377 1.00 0.00 H new ATOM 0 HA VAL A 8 9.133 -0.119 -6.753 1.00 0.00 H new ATOM 0 HB VAL A 8 7.240 -1.884 -8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.828 -0.431 -10.250 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.019 0.470 -8.946 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.782 0.600 -9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.216 -2.395 -9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.235 -1.463 -8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.423 -2.944 -8.059 1.00 0.00 H new ATOM 111 N ALA A 9 5.907 -0.727 -6.288 1.00 0.00 N ATOM 112 CA ALA A 9 4.639 -0.110 -5.942 1.00 0.00 C ATOM 113 C ALA A 9 4.663 0.460 -4.527 1.00 0.00 C ATOM 114 O ALA A 9 4.160 1.551 -4.285 1.00 0.00 O ATOM 115 CB ALA A 9 3.508 -1.112 -6.102 1.00 0.00 C ATOM 0 H ALA A 9 5.864 -1.738 -6.416 1.00 0.00 H new ATOM 0 HA ALA A 9 4.470 0.722 -6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.562 -0.638 -5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.468 -1.454 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.681 -1.964 -5.445 1.00 0.00 H new ATOM 121 N ARG A 10 5.280 -0.263 -3.598 1.00 0.00 N ATOM 122 CA ARG A 10 5.303 0.163 -2.204 1.00 0.00 C ATOM 123 C ARG A 10 6.183 1.405 -2.025 1.00 0.00 C ATOM 124 O ARG A 10 5.977 2.198 -1.105 1.00 0.00 O ATOM 125 CB ARG A 10 5.774 -0.975 -1.292 1.00 0.00 C ATOM 126 CG ARG A 10 7.270 -1.234 -1.319 1.00 0.00 C ATOM 127 CD ARG A 10 7.810 -1.536 0.072 1.00 0.00 C ATOM 128 NE ARG A 10 7.085 -2.620 0.737 1.00 0.00 N ATOM 129 CZ ARG A 10 7.274 -2.968 2.014 1.00 0.00 C ATOM 130 NH1 ARG A 10 8.159 -2.315 2.759 1.00 0.00 N ATOM 131 NH2 ARG A 10 6.570 -3.958 2.550 1.00 0.00 N ATOM 0 H ARG A 10 5.767 -1.140 -3.783 1.00 0.00 H new ATOM 0 HA ARG A 10 4.285 0.427 -1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.477 -0.748 -0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.256 -1.890 -1.579 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.483 -2.072 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.783 -0.364 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.865 -1.802 -0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.750 -0.636 0.684 1.00 0.00 H new ATOM 0 HE ARG A 10 6.395 -3.140 0.194 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.696 -1.546 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.302 -2.582 3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.881 -4.457 1.987 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.718 -4.220 3.525 1.00 0.00 H new ATOM 145 N SER A 11 7.150 1.577 -2.915 1.00 0.00 N ATOM 146 CA SER A 11 7.993 2.771 -2.915 1.00 0.00 C ATOM 147 C SER A 11 7.233 3.976 -3.472 1.00 0.00 C ATOM 148 O SER A 11 7.678 5.113 -3.355 1.00 0.00 O ATOM 149 CB SER A 11 9.274 2.530 -3.720 1.00 0.00 C ATOM 150 OG SER A 11 10.022 1.457 -3.173 1.00 0.00 O ATOM 0 H SER A 11 7.373 0.905 -3.649 1.00 0.00 H new ATOM 0 HA SER A 11 8.269 2.987 -1.883 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.020 2.310 -4.757 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.881 3.436 -3.725 1.00 0.00 H new ATOM 0 HG SER A 11 9.627 0.606 -3.456 1.00 0.00 H new ATOM 156 N ASN A 12 6.090 3.717 -4.089 1.00 0.00 N ATOM 157 CA ASN A 12 5.194 4.785 -4.528 1.00 0.00 C ATOM 158 C ASN A 12 4.146 5.041 -3.454 1.00 0.00 C ATOM 159 O ASN A 12 3.371 5.993 -3.519 1.00 0.00 O ATOM 160 CB ASN A 12 4.510 4.415 -5.847 1.00 0.00 C ATOM 161 CG ASN A 12 5.411 4.586 -7.054 1.00 0.00 C ATOM 162 OD1 ASN A 12 5.444 5.649 -7.673 1.00 0.00 O ATOM 163 ND2 ASN A 12 6.144 3.542 -7.409 1.00 0.00 N ATOM 0 H ASN A 12 5.757 2.776 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 12 5.781 5.689 -4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.173 3.380 -5.797 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.621 5.033 -5.974 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.761 3.604 -8.219 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.092 2.676 -6.873 1.00 0.00 H new ATOM 170 N PHE A 13 4.146 4.167 -2.461 1.00 0.00 N ATOM 171 CA PHE A 13 3.201 4.222 -1.359 1.00 0.00 C ATOM 172 C PHE A 13 3.734 5.105 -0.239 1.00 0.00 C ATOM 173 O PHE A 13 3.108 6.096 0.142 1.00 0.00 O ATOM 174 CB PHE A 13 2.962 2.798 -0.854 1.00 0.00 C ATOM 175 CG PHE A 13 2.070 2.689 0.346 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.735 3.028 0.258 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.565 2.216 1.549 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.094 2.911 1.354 1.00 0.00 C ATOM 179 CE2 PHE A 13 1.740 2.092 2.649 1.00 0.00 C ATOM 180 CZ PHE A 13 0.408 2.435 2.549 1.00 0.00 C ATOM 0 H PHE A 13 4.807 3.393 -2.397 1.00 0.00 H new ATOM 0 HA PHE A 13 2.261 4.655 -1.701 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.529 2.210 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.925 2.348 -0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.336 3.388 -0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.607 1.941 1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.134 3.191 1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.137 1.727 3.585 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.242 2.331 3.405 1.00 0.00 H new ATOM 190 N ASN A 14 4.903 4.745 0.269 1.00 0.00 N ATOM 191 CA ASN A 14 5.535 5.482 1.359 1.00 0.00 C ATOM 192 C ASN A 14 5.830 6.923 0.952 1.00 0.00 C ATOM 193 O ASN A 14 5.659 7.846 1.744 1.00 0.00 O ATOM 194 CB ASN A 14 6.822 4.775 1.817 1.00 0.00 C ATOM 195 CG ASN A 14 7.911 4.732 0.754 1.00 0.00 C ATOM 196 OD1 ASN A 14 7.632 4.662 -0.440 1.00 0.00 O ATOM 197 ND2 ASN A 14 9.165 4.783 1.180 1.00 0.00 N ATOM 0 H ASN A 14 5.439 3.941 -0.058 1.00 0.00 H new ATOM 0 HA ASN A 14 4.837 5.506 2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.209 5.282 2.700 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.579 3.755 2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.933 4.765 0.509 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.362 4.841 2.179 1.00 0.00 H new ATOM 204 N VAL A 15 6.238 7.112 -0.296 1.00 0.00 N ATOM 205 CA VAL A 15 6.561 8.438 -0.803 1.00 0.00 C ATOM 206 C VAL A 15 5.297 9.285 -0.973 1.00 0.00 C ATOM 207 O VAL A 15 5.362 10.514 -1.009 1.00 0.00 O ATOM 208 CB VAL A 15 7.345 8.353 -2.137 1.00 0.00 C ATOM 209 CG1 VAL A 15 7.631 9.735 -2.710 1.00 0.00 C ATOM 210 CG2 VAL A 15 8.650 7.601 -1.927 1.00 0.00 C ATOM 0 H VAL A 15 6.353 6.361 -0.977 1.00 0.00 H new ATOM 0 HA VAL A 15 7.200 8.925 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 15 6.724 7.815 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.182 9.634 -3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.690 10.253 -2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.226 10.308 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.194 7.546 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.257 8.124 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.436 6.593 -1.573 1.00 0.00 H new ATOM 220 N CYS A 16 4.136 8.642 -1.029 1.00 0.00 N ATOM 221 CA CYS A 16 2.891 9.373 -1.183 1.00 0.00 C ATOM 222 C CYS A 16 2.463 9.972 0.154 1.00 0.00 C ATOM 223 O CYS A 16 1.789 10.998 0.197 1.00 0.00 O ATOM 224 CB CYS A 16 1.806 8.455 -1.745 1.00 0.00 C ATOM 225 SG CYS A 16 0.135 9.168 -1.706 1.00 0.00 S ATOM 0 H CYS A 16 4.034 7.629 -0.971 1.00 0.00 H new ATOM 0 HA CYS A 16 3.044 10.190 -1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.057 8.202 -2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.805 7.523 -1.179 1.00 0.00 H new ATOM 230 N ARG A 17 2.894 9.348 1.244 1.00 0.00 N ATOM 231 CA ARG A 17 2.546 9.811 2.583 1.00 0.00 C ATOM 232 C ARG A 17 3.324 11.069 2.944 1.00 0.00 C ATOM 233 O ARG A 17 2.848 11.901 3.713 1.00 0.00 O ATOM 234 CB ARG A 17 2.845 8.732 3.623 1.00 0.00 C ATOM 235 CG ARG A 17 2.266 7.370 3.292 1.00 0.00 C ATOM 236 CD ARG A 17 2.559 6.368 4.398 1.00 0.00 C ATOM 237 NE ARG A 17 3.986 6.306 4.723 1.00 0.00 N ATOM 238 CZ ARG A 17 4.545 5.351 5.463 1.00 0.00 C ATOM 239 NH1 ARG A 17 3.802 4.374 5.967 1.00 0.00 N ATOM 240 NH2 ARG A 17 5.850 5.386 5.709 1.00 0.00 N ATOM 0 H ARG A 17 3.487 8.518 1.227 1.00 0.00 H new ATOM 0 HA ARG A 17 1.479 10.034 2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.925 8.638 3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.454 9.055 4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.189 7.454 3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.685 7.012 2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.996 6.640 5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.214 5.380 4.092 1.00 0.00 H new ATOM 0 HE ARG A 17 4.591 7.042 4.359 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.798 4.353 5.788 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.235 3.644 6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.420 6.143 5.331 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.282 4.656 6.276 1.00 0.00 H new ATOM 254 N LEU A 18 4.519 11.197 2.373 1.00 0.00 N ATOM 255 CA LEU A 18 5.429 12.276 2.676 1.00 0.00 C ATOM 256 C LEU A 18 4.781 13.670 2.578 1.00 0.00 C ATOM 257 O LEU A 18 4.862 14.440 3.532 1.00 0.00 O ATOM 258 CB LEU A 18 6.622 12.163 1.737 1.00 0.00 C ATOM 259 CG LEU A 18 7.485 10.911 1.920 1.00 0.00 C ATOM 260 CD1 LEU A 18 8.604 10.881 0.892 1.00 0.00 C ATOM 261 CD2 LEU A 18 8.058 10.859 3.329 1.00 0.00 C ATOM 0 H LEU A 18 4.878 10.541 1.679 1.00 0.00 H new ATOM 0 HA LEU A 18 5.741 12.179 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.258 12.186 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.253 13.042 1.871 1.00 0.00 H new ATOM 0 HG LEU A 18 6.854 10.034 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.207 9.985 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.177 10.873 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.232 11.764 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.668 9.963 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.673 11.741 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.243 10.836 4.053 1.00 0.00 H new ATOM 273 N PRO A 19 4.128 14.024 1.444 1.00 0.00 N ATOM 274 CA PRO A 19 3.518 15.355 1.278 1.00 0.00 C ATOM 275 C PRO A 19 2.317 15.599 2.191 1.00 0.00 C ATOM 276 O PRO A 19 1.787 16.709 2.253 1.00 0.00 O ATOM 277 CB PRO A 19 3.083 15.378 -0.190 1.00 0.00 C ATOM 278 CG PRO A 19 2.940 13.949 -0.571 1.00 0.00 C ATOM 279 CD PRO A 19 3.963 13.199 0.231 1.00 0.00 C ATOM 0 HA PRO A 19 4.225 16.140 1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.143 15.916 -0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.823 15.880 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.935 13.587 -0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.106 13.812 -1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.622 12.193 0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.901 13.095 -0.314 1.00 0.00 H new ATOM 287 N GLY A 20 1.898 14.571 2.907 1.00 0.00 N ATOM 288 CA GLY A 20 0.766 14.711 3.796 1.00 0.00 C ATOM 289 C GLY A 20 -0.456 13.980 3.294 1.00 0.00 C ATOM 290 O GLY A 20 -1.588 14.401 3.536 1.00 0.00 O ATOM 0 H GLY A 20 2.320 13.643 2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.033 14.331 4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.530 15.768 3.915 1.00 0.00 H new ATOM 294 N THR A 21 -0.233 12.889 2.586 1.00 0.00 N ATOM 295 CA THR A 21 -1.314 12.055 2.138 1.00 0.00 C ATOM 296 C THR A 21 -1.402 10.843 3.038 1.00 0.00 C ATOM 297 O THR A 21 -0.389 10.228 3.371 1.00 0.00 O ATOM 298 CB THR A 21 -1.114 11.572 0.698 1.00 0.00 C ATOM 299 OG1 THR A 21 -0.341 12.531 -0.037 1.00 0.00 O ATOM 300 CG2 THR A 21 -2.452 11.368 0.004 1.00 0.00 C ATOM 0 H THR A 21 0.694 12.565 2.312 1.00 0.00 H new ATOM 0 HA THR A 21 -2.227 12.649 2.175 1.00 0.00 H new ATOM 0 HB THR A 21 -0.586 10.619 0.730 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.493 12.115 -0.341 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.284 11.025 -1.017 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.033 10.622 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.999 12.310 -0.015 1.00 0.00 H new ATOM 308 N PRO A 22 -2.601 10.517 3.476 1.00 0.00 N ATOM 309 CA PRO A 22 -2.849 9.319 4.250 1.00 0.00 C ATOM 310 C PRO A 22 -2.541 8.087 3.424 1.00 0.00 C ATOM 311 O PRO A 22 -2.994 7.966 2.287 1.00 0.00 O ATOM 312 CB PRO A 22 -4.344 9.393 4.585 1.00 0.00 C ATOM 313 CG PRO A 22 -4.915 10.361 3.605 1.00 0.00 C ATOM 314 CD PRO A 22 -3.803 11.303 3.247 1.00 0.00 C ATOM 0 HA PRO A 22 -2.227 9.254 5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.817 8.415 4.494 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.502 9.730 5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.287 9.845 2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.758 10.901 4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.875 11.633 2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.821 12.199 3.868 1.00 0.00 H new ATOM 322 N GLU A 23 -1.725 7.210 3.975 1.00 0.00 N ATOM 323 CA GLU A 23 -1.436 5.931 3.344 1.00 0.00 C ATOM 324 C GLU A 23 -2.718 5.191 2.971 1.00 0.00 C ATOM 325 O GLU A 23 -2.727 4.410 2.026 1.00 0.00 O ATOM 326 CB GLU A 23 -0.561 5.069 4.249 1.00 0.00 C ATOM 327 CG GLU A 23 -1.066 4.952 5.671 1.00 0.00 C ATOM 328 CD GLU A 23 -0.162 4.101 6.535 1.00 0.00 C ATOM 329 OE1 GLU A 23 1.067 4.321 6.527 1.00 0.00 O ATOM 330 OE2 GLU A 23 -0.682 3.220 7.244 1.00 0.00 O ATOM 0 H GLU A 23 -1.246 7.358 4.863 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.889 6.132 2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.486 4.070 3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.446 5.486 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.149 5.947 6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.068 4.522 5.664 1.00 0.00 H new ATOM 337 N ALA A 24 -3.800 5.445 3.701 1.00 0.00 N ATOM 338 CA ALA A 24 -5.104 4.921 3.320 1.00 0.00 C ATOM 339 C ALA A 24 -5.481 5.413 1.924 1.00 0.00 C ATOM 340 O ALA A 24 -5.895 4.631 1.067 1.00 0.00 O ATOM 341 CB ALA A 24 -6.164 5.324 4.334 1.00 0.00 C ATOM 0 H ALA A 24 -3.799 6.006 4.553 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.049 3.833 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.130 4.922 4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.899 4.928 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.223 6.411 4.386 1.00 0.00 H new ATOM 347 N LEU A 25 -5.315 6.712 1.689 1.00 0.00 N ATOM 348 CA LEU A 25 -5.581 7.290 0.385 1.00 0.00 C ATOM 349 C LEU A 25 -4.584 6.752 -0.644 1.00 0.00 C ATOM 350 O LEU A 25 -4.961 6.399 -1.761 1.00 0.00 O ATOM 351 CB LEU A 25 -5.483 8.815 0.473 1.00 0.00 C ATOM 352 CG LEU A 25 -6.449 9.594 -0.421 1.00 0.00 C ATOM 353 CD1 LEU A 25 -6.419 11.075 -0.071 1.00 0.00 C ATOM 354 CD2 LEU A 25 -6.118 9.399 -1.894 1.00 0.00 C ATOM 0 H LEU A 25 -4.997 7.381 2.390 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.587 7.014 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.654 9.113 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.465 9.111 0.221 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.452 9.206 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.112 11.615 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.713 11.209 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.411 11.463 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.822 9.965 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.105 9.751 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.189 8.341 -2.146 1.00 0.00 H new ATOM 366 N CYS A 26 -3.316 6.667 -0.255 1.00 0.00 N ATOM 367 CA CYS A 26 -2.265 6.241 -1.175 1.00 0.00 C ATOM 368 C CYS A 26 -2.396 4.762 -1.535 1.00 0.00 C ATOM 369 O CYS A 26 -2.068 4.370 -2.645 1.00 0.00 O ATOM 370 CB CYS A 26 -0.874 6.549 -0.609 1.00 0.00 C ATOM 371 SG CYS A 26 -0.685 8.278 -0.079 1.00 0.00 S ATOM 0 H CYS A 26 -2.991 6.886 0.687 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.388 6.813 -2.094 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.680 5.892 0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.123 6.323 -1.366 1.00 0.00 H new ATOM 376 N ALA A 27 -2.896 3.945 -0.619 1.00 0.00 N ATOM 377 CA ALA A 27 -3.144 2.536 -0.923 1.00 0.00 C ATOM 378 C ALA A 27 -4.192 2.414 -2.010 1.00 0.00 C ATOM 379 O ALA A 27 -4.104 1.584 -2.913 1.00 0.00 O ATOM 380 CB ALA A 27 -3.573 1.783 0.327 1.00 0.00 C ATOM 0 H ALA A 27 -3.137 4.226 0.332 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.217 2.089 -1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.752 0.737 0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.786 1.847 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.488 2.224 0.721 1.00 0.00 H new ATOM 386 N THR A 28 -5.129 3.314 -1.931 1.00 0.00 N ATOM 387 CA THR A 28 -6.268 3.361 -2.831 1.00 0.00 C ATOM 388 C THR A 28 -5.879 3.959 -4.186 1.00 0.00 C ATOM 389 O THR A 28 -6.568 3.771 -5.191 1.00 0.00 O ATOM 390 CB THR A 28 -7.379 4.215 -2.198 1.00 0.00 C ATOM 391 OG1 THR A 28 -7.627 3.770 -0.855 1.00 0.00 O ATOM 392 CG2 THR A 28 -8.672 4.145 -2.997 1.00 0.00 C ATOM 0 H THR A 28 -5.132 4.054 -1.229 1.00 0.00 H new ATOM 0 HA THR A 28 -6.620 2.342 -2.994 1.00 0.00 H new ATOM 0 HB THR A 28 -7.038 5.250 -2.196 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.953 4.152 -0.254 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.431 4.762 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.495 4.510 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.018 3.112 -3.040 1.00 0.00 H new ATOM 400 N TYR A 29 -4.756 4.661 -4.210 1.00 0.00 N ATOM 401 CA TYR A 29 -4.324 5.382 -5.398 1.00 0.00 C ATOM 402 C TYR A 29 -3.193 4.628 -6.073 1.00 0.00 C ATOM 403 O TYR A 29 -3.251 4.303 -7.259 1.00 0.00 O ATOM 404 CB TYR A 29 -3.859 6.788 -5.002 1.00 0.00 C ATOM 405 CG TYR A 29 -3.312 7.604 -6.149 1.00 0.00 C ATOM 406 CD1 TYR A 29 -4.145 8.041 -7.163 1.00 0.00 C ATOM 407 CD2 TYR A 29 -1.967 7.947 -6.209 1.00 0.00 C ATOM 408 CE1 TYR A 29 -3.659 8.799 -8.213 1.00 0.00 C ATOM 409 CE2 TYR A 29 -1.468 8.703 -7.254 1.00 0.00 C ATOM 410 CZ TYR A 29 -2.319 9.127 -8.253 1.00 0.00 C ATOM 411 OH TYR A 29 -1.828 9.880 -9.297 1.00 0.00 O ATOM 0 H TYR A 29 -4.124 4.747 -3.414 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.157 5.465 -6.096 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.697 7.324 -4.557 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.091 6.702 -4.233 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.194 7.786 -7.134 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.300 7.618 -5.426 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.324 9.132 -8.996 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.419 8.960 -7.288 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.866 10.023 -9.173 1.00 0.00 H new ATOM 421 N THR A 30 -2.171 4.368 -5.288 1.00 0.00 N ATOM 422 CA THR A 30 -0.998 3.647 -5.730 1.00 0.00 C ATOM 423 C THR A 30 -1.341 2.214 -6.148 1.00 0.00 C ATOM 424 O THR A 30 -1.012 1.790 -7.259 1.00 0.00 O ATOM 425 CB THR A 30 0.047 3.629 -4.603 1.00 0.00 C ATOM 426 OG1 THR A 30 0.442 4.970 -4.278 1.00 0.00 O ATOM 427 CG2 THR A 30 1.254 2.813 -4.998 1.00 0.00 C ATOM 0 H THR A 30 -2.131 4.656 -4.310 1.00 0.00 H new ATOM 0 HA THR A 30 -0.593 4.159 -6.603 1.00 0.00 H new ATOM 0 HB THR A 30 -0.404 3.166 -3.725 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.403 4.991 -4.086 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.978 2.816 -4.183 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.948 1.788 -5.207 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.709 3.245 -5.890 1.00 0.00 H new ATOM 435 N GLY A 31 -2.011 1.475 -5.269 1.00 0.00 N ATOM 436 CA GLY A 31 -2.358 0.103 -5.582 1.00 0.00 C ATOM 437 C GLY A 31 -2.029 -0.863 -4.457 1.00 0.00 C ATOM 438 O GLY A 31 -2.227 -2.071 -4.595 1.00 0.00 O ATOM 0 H GLY A 31 -2.318 1.800 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.424 0.045 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.828 -0.204 -6.484 1.00 0.00 H new ATOM 442 N CYS A 32 -1.509 -0.341 -3.351 1.00 0.00 N ATOM 443 CA CYS A 32 -1.221 -1.165 -2.182 1.00 0.00 C ATOM 444 C CYS A 32 -2.525 -1.526 -1.473 1.00 0.00 C ATOM 445 O CYS A 32 -3.558 -0.908 -1.721 1.00 0.00 O ATOM 446 CB CYS A 32 -0.281 -0.428 -1.228 1.00 0.00 C ATOM 447 SG CYS A 32 1.192 0.283 -2.036 1.00 0.00 S ATOM 0 H CYS A 32 -1.279 0.646 -3.239 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.728 -2.081 -2.506 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.834 0.372 -0.736 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.043 -1.118 -0.449 1.00 0.00 H new ATOM 452 N ILE A 33 -2.492 -2.514 -0.593 1.00 0.00 N ATOM 453 CA ILE A 33 -3.720 -2.996 0.022 1.00 0.00 C ATOM 454 C ILE A 33 -3.662 -2.956 1.544 1.00 0.00 C ATOM 455 O ILE A 33 -2.596 -3.093 2.150 1.00 0.00 O ATOM 456 CB ILE A 33 -4.072 -4.429 -0.458 1.00 0.00 C ATOM 457 CG1 ILE A 33 -2.890 -5.397 -0.270 1.00 0.00 C ATOM 458 CG2 ILE A 33 -4.509 -4.408 -1.917 1.00 0.00 C ATOM 459 CD1 ILE A 33 -2.823 -6.037 1.103 1.00 0.00 C ATOM 0 H ILE A 33 -1.643 -2.992 -0.291 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.508 -2.315 -0.299 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.898 -4.789 0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.956 -6.183 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.961 -4.858 -0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.752 -5.421 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.388 -3.772 -2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.700 -4.016 -2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.962 -6.704 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.724 -5.261 1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.734 -6.607 1.284 1.00 0.00 H new ATOM 471 N ILE A 34 -4.821 -2.750 2.150 1.00 0.00 N ATOM 472 CA ILE A 34 -4.966 -2.790 3.594 1.00 0.00 C ATOM 473 C ILE A 34 -6.088 -3.749 3.955 1.00 0.00 C ATOM 474 O ILE A 34 -7.256 -3.494 3.653 1.00 0.00 O ATOM 475 CB ILE A 34 -5.274 -1.394 4.180 1.00 0.00 C ATOM 476 CG1 ILE A 34 -4.179 -0.404 3.786 1.00 0.00 C ATOM 477 CG2 ILE A 34 -5.400 -1.470 5.696 1.00 0.00 C ATOM 478 CD1 ILE A 34 -4.478 1.029 4.172 1.00 0.00 C ATOM 0 H ILE A 34 -5.688 -2.550 1.652 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.021 -3.128 4.020 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.223 -1.046 3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.243 -0.708 4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.028 -0.455 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.617 -0.478 6.093 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.208 -2.152 5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.465 -1.834 6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.654 1.670 3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.396 1.354 3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.599 1.097 5.253 1.00 0.00 H new ATOM 490 N ILE A 35 -5.738 -4.860 4.577 1.00 0.00 N ATOM 491 CA ILE A 35 -6.720 -5.875 4.895 1.00 0.00 C ATOM 492 C ILE A 35 -6.766 -6.164 6.392 1.00 0.00 C ATOM 493 O ILE A 35 -5.731 -6.249 7.056 1.00 0.00 O ATOM 494 CB ILE A 35 -6.487 -7.184 4.088 1.00 0.00 C ATOM 495 CG1 ILE A 35 -5.011 -7.614 4.093 1.00 0.00 C ATOM 496 CG2 ILE A 35 -6.979 -7.016 2.658 1.00 0.00 C ATOM 497 CD1 ILE A 35 -4.598 -8.415 5.312 1.00 0.00 C ATOM 0 H ILE A 35 -4.786 -5.080 4.870 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.690 -5.474 4.600 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.058 -7.973 4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.815 -8.207 3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.385 -6.724 4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.810 -7.939 2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.045 -6.787 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.435 -6.201 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.543 -8.677 5.235 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.759 -7.819 6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.195 -9.325 5.369 1.00 0.00 H new ATOM 509 N PRO A 36 -7.983 -6.260 6.941 1.00 0.00 N ATOM 510 CA PRO A 36 -8.211 -6.655 8.328 1.00 0.00 C ATOM 511 C PRO A 36 -7.859 -8.120 8.561 1.00 0.00 C ATOM 512 O PRO A 36 -8.727 -8.992 8.559 1.00 0.00 O ATOM 513 CB PRO A 36 -9.713 -6.429 8.550 1.00 0.00 C ATOM 514 CG PRO A 36 -10.203 -5.683 7.353 1.00 0.00 C ATOM 515 CD PRO A 36 -9.234 -5.968 6.240 1.00 0.00 C ATOM 0 HA PRO A 36 -7.588 -6.083 9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.238 -7.378 8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.890 -5.860 9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.209 -6.004 7.082 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.254 -4.614 7.558 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.559 -6.812 5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.129 -5.114 5.571 1.00 0.00 H new ATOM 523 N GLY A 37 -6.576 -8.385 8.706 1.00 0.00 N ATOM 524 CA GLY A 37 -6.108 -9.719 8.983 1.00 0.00 C ATOM 525 C GLY A 37 -4.652 -9.705 9.378 1.00 0.00 C ATOM 526 O GLY A 37 -4.169 -8.717 9.936 1.00 0.00 O ATOM 0 H GLY A 37 -5.838 -7.685 8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.702 -10.159 9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.245 -10.347 8.103 1.00 0.00 H new ATOM 530 N ALA A 38 -3.950 -10.779 9.065 1.00 0.00 N ATOM 531 CA ALA A 38 -2.539 -10.900 9.412 1.00 0.00 C ATOM 532 C ALA A 38 -1.758 -11.612 8.319 1.00 0.00 C ATOM 533 O ALA A 38 -0.600 -11.988 8.510 1.00 0.00 O ATOM 534 CB ALA A 38 -2.386 -11.626 10.740 1.00 0.00 C ATOM 0 H ALA A 38 -4.332 -11.584 8.569 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.127 -9.895 9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.328 -11.710 10.989 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.899 -11.066 11.522 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.821 -12.622 10.662 1.00 0.00 H new ATOM 540 N THR A 39 -2.394 -11.809 7.180 1.00 0.00 N ATOM 541 CA THR A 39 -1.727 -12.401 6.040 1.00 0.00 C ATOM 542 C THR A 39 -2.273 -11.823 4.749 1.00 0.00 C ATOM 543 O THR A 39 -3.383 -12.136 4.321 1.00 0.00 O ATOM 544 CB THR A 39 -1.893 -13.921 6.020 1.00 0.00 C ATOM 545 OG1 THR A 39 -1.581 -14.461 7.314 1.00 0.00 O ATOM 546 CG2 THR A 39 -0.992 -14.554 4.971 1.00 0.00 C ATOM 0 H THR A 39 -3.372 -11.567 7.021 1.00 0.00 H new ATOM 0 HA THR A 39 -0.666 -12.168 6.128 1.00 0.00 H new ATOM 0 HB THR A 39 -2.929 -14.149 5.767 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.690 -15.435 7.297 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.130 -15.635 4.978 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.248 -14.162 3.987 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.048 -14.319 5.196 1.00 0.00 H new ATOM 554 N CYS A 40 -1.498 -10.943 4.170 1.00 0.00 N ATOM 555 CA CYS A 40 -1.818 -10.358 2.881 1.00 0.00 C ATOM 556 C CYS A 40 -1.472 -11.334 1.753 1.00 0.00 C ATOM 557 O CYS A 40 -0.595 -12.186 1.909 1.00 0.00 O ATOM 558 CB CYS A 40 -1.089 -9.020 2.702 1.00 0.00 C ATOM 559 SG CYS A 40 0.687 -9.054 3.119 1.00 0.00 S ATOM 0 H CYS A 40 -0.624 -10.607 4.575 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.890 -10.162 2.840 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.198 -8.698 1.666 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.579 -8.270 3.322 1.00 0.00 H new ATOM 564 N PRO A 41 -2.179 -11.231 0.615 1.00 0.00 N ATOM 565 CA PRO A 41 -2.011 -12.149 -0.522 1.00 0.00 C ATOM 566 C PRO A 41 -0.592 -12.130 -1.091 1.00 0.00 C ATOM 567 O PRO A 41 0.102 -11.119 -1.013 1.00 0.00 O ATOM 568 CB PRO A 41 -3.022 -11.642 -1.558 1.00 0.00 C ATOM 569 CG PRO A 41 -3.358 -10.252 -1.140 1.00 0.00 C ATOM 570 CD PRO A 41 -3.198 -10.209 0.351 1.00 0.00 C ATOM 0 HA PRO A 41 -2.177 -13.185 -0.228 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.597 -11.658 -2.562 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.912 -12.271 -1.579 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.698 -9.531 -1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.377 -9.995 -1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.877 -9.225 0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.134 -10.434 0.862 1.00 0.00 H new ATOM 578 N GLY A 42 -0.187 -13.243 -1.696 1.00 0.00 N ATOM 579 CA GLY A 42 1.197 -13.419 -2.114 1.00 0.00 C ATOM 580 C GLY A 42 1.577 -12.658 -3.374 1.00 0.00 C ATOM 581 O GLY A 42 2.685 -12.823 -3.884 1.00 0.00 O ATOM 0 H GLY A 42 -0.797 -14.033 -1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.852 -13.102 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.382 -14.481 -2.276 1.00 0.00 H new ATOM 585 N ASP A 43 0.677 -11.832 -3.881 1.00 0.00 N ATOM 586 CA ASP A 43 0.973 -11.000 -5.034 1.00 0.00 C ATOM 587 C ASP A 43 0.978 -9.557 -4.585 1.00 0.00 C ATOM 588 O ASP A 43 1.275 -8.642 -5.347 1.00 0.00 O ATOM 589 CB ASP A 43 -0.061 -11.219 -6.144 1.00 0.00 C ATOM 590 CG ASP A 43 -1.483 -10.957 -5.684 1.00 0.00 C ATOM 591 OD1 ASP A 43 -1.984 -11.719 -4.828 1.00 0.00 O ATOM 592 OD2 ASP A 43 -2.109 -9.998 -6.177 1.00 0.00 O ATOM 0 H ASP A 43 -0.267 -11.720 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 43 1.948 -11.266 -5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.171 -10.564 -6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.015 -12.244 -6.508 1.00 0.00 H new ATOM 597 N TYR A 44 0.659 -9.386 -3.311 1.00 0.00 N ATOM 598 CA TYR A 44 0.573 -8.084 -2.684 1.00 0.00 C ATOM 599 C TYR A 44 1.285 -8.112 -1.340 1.00 0.00 C ATOM 600 O TYR A 44 1.022 -7.282 -0.481 1.00 0.00 O ATOM 601 CB TYR A 44 -0.894 -7.704 -2.459 1.00 0.00 C ATOM 602 CG TYR A 44 -1.670 -7.383 -3.716 1.00 0.00 C ATOM 603 CD1 TYR A 44 -1.035 -6.868 -4.829 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.044 -7.562 -3.770 1.00 0.00 C ATOM 605 CE1 TYR A 44 -1.738 -6.544 -5.973 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.761 -7.232 -4.906 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.102 -6.721 -6.003 1.00 0.00 C ATOM 608 OH TYR A 44 -3.811 -6.371 -7.130 1.00 0.00 O ATOM 0 H TYR A 44 0.451 -10.159 -2.679 1.00 0.00 H new ATOM 0 HA TYR A 44 1.044 -7.350 -3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.391 -8.525 -1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.932 -6.840 -1.796 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.034 -6.715 -4.804 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.562 -7.965 -2.912 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.221 -6.155 -6.837 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.831 -7.374 -4.933 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.762 -6.560 -6.990 1.00 0.00 H new ATOM 618 N ALA A 45 2.194 -9.064 -1.172 1.00 0.00 N ATOM 619 CA ALA A 45 2.795 -9.325 0.135 1.00 0.00 C ATOM 620 C ALA A 45 4.093 -8.553 0.346 1.00 0.00 C ATOM 621 O ALA A 45 4.900 -8.909 1.208 1.00 0.00 O ATOM 622 CB ALA A 45 3.035 -10.818 0.310 1.00 0.00 C ATOM 0 H ALA A 45 2.532 -9.668 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 45 2.090 -8.976 0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.483 -11.003 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.086 -11.350 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.708 -11.172 -0.471 1.00 0.00 H new ATOM 628 N ASN A 46 4.288 -7.486 -0.405 1.00 0.00 N ATOM 629 CA ASN A 46 5.490 -6.681 -0.261 1.00 0.00 C ATOM 630 C ASN A 46 5.132 -5.246 0.104 1.00 0.00 C ATOM 631 O ASN A 46 4.554 -5.045 1.197 1.00 0.00 O ATOM 632 CB ASN A 46 6.333 -6.719 -1.540 1.00 0.00 C ATOM 633 CG ASN A 46 6.927 -8.089 -1.806 1.00 0.00 C ATOM 634 OD1 ASN A 46 6.342 -8.919 -2.504 1.00 0.00 O ATOM 635 ND2 ASN A 46 8.100 -8.338 -1.246 1.00 0.00 N ATOM 636 OXT ASN A 46 5.443 -4.323 -0.673 1.00 0.00 O ATOM 0 H ASN A 46 3.636 -7.157 -1.117 1.00 0.00 H new ATOM 0 HA ASN A 46 6.086 -7.104 0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.714 -6.424 -2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.137 -5.987 -1.463 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.550 -9.242 -1.386 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.554 -7.625 -0.674 1.00 0.00 H new TER 643 ASN A 46