USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 472 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 16 TYR OH : rot -15:sc= -2.03! USER MOD Set 1.2: A 19 THR OG1 : rot -34:sc= 0.178 USER MOD Set 1.3: A 23 GLN : amide:sc= -1.77! C(o=-3.6!,f=-5.5!) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0915 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.57 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 38 THR OG1 : rot -167:sc= -0.0669 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -16:sc= -2.69! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.00939 K(o=-0.0094,f=-0.58) USER MOD Single : A 58 HIS : no HE2:sc= 0.0369 K(o=0.037,f=-0.87) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.399 10.860 -11.114 1.00 0.00 N ATOM 2 CA GLY A 1 1.801 11.759 -12.182 1.00 0.00 C ATOM 3 C GLY A 1 0.649 12.679 -12.588 1.00 0.00 C ATOM 4 O GLY A 1 -0.322 12.829 -11.847 1.00 0.00 O ATOM 0 H1 GLY A 1 2.150 10.816 -10.396 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.522 11.210 -10.677 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.236 9.909 -11.503 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.652 12.358 -11.857 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.130 11.180 -13.045 1.00 0.00 H new ATOM 8 N SER A 2 0.793 13.272 -13.764 1.00 0.00 N ATOM 9 CA SER A 2 -0.224 14.174 -14.278 1.00 0.00 C ATOM 10 C SER A 2 -0.915 13.547 -15.490 1.00 0.00 C ATOM 11 O SER A 2 -0.375 13.566 -16.595 1.00 0.00 O ATOM 12 CB SER A 2 0.380 15.529 -14.652 1.00 0.00 C ATOM 13 OG SER A 2 0.869 16.229 -13.512 1.00 0.00 O ATOM 0 H SER A 2 1.599 13.145 -14.376 1.00 0.00 H new ATOM 0 HA SER A 2 -0.962 14.340 -13.493 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.193 15.380 -15.362 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.374 16.136 -15.154 1.00 0.00 H new ATOM 0 HG SER A 2 1.248 17.088 -13.793 1.00 0.00 H new ATOM 19 N SER A 3 -2.100 13.007 -15.243 1.00 0.00 N ATOM 20 CA SER A 3 -2.870 12.376 -16.300 1.00 0.00 C ATOM 21 C SER A 3 -4.332 12.236 -15.871 1.00 0.00 C ATOM 22 O SER A 3 -5.230 12.749 -16.536 1.00 0.00 O ATOM 23 CB SER A 3 -2.290 11.008 -16.663 1.00 0.00 C ATOM 24 OG SER A 3 -1.740 10.993 -17.977 1.00 0.00 O ATOM 0 H SER A 3 -2.545 12.994 -14.325 1.00 0.00 H new ATOM 0 HA SER A 3 -2.817 13.009 -17.186 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.517 10.740 -15.943 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.071 10.252 -16.588 1.00 0.00 H new ATOM 0 HG SER A 3 -1.378 10.103 -18.170 1.00 0.00 H new ATOM 30 N GLY A 4 -4.525 11.539 -14.761 1.00 0.00 N ATOM 31 CA GLY A 4 -5.862 11.325 -14.234 1.00 0.00 C ATOM 32 C GLY A 4 -6.049 9.875 -13.784 1.00 0.00 C ATOM 33 O GLY A 4 -6.878 9.152 -14.334 1.00 0.00 O ATOM 0 H GLY A 4 -3.777 11.115 -14.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.037 11.996 -13.393 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.601 11.571 -14.997 1.00 0.00 H new ATOM 37 N SER A 5 -5.263 9.492 -12.788 1.00 0.00 N ATOM 38 CA SER A 5 -5.331 8.141 -12.257 1.00 0.00 C ATOM 39 C SER A 5 -6.018 8.150 -10.890 1.00 0.00 C ATOM 40 O SER A 5 -5.916 9.124 -10.146 1.00 0.00 O ATOM 41 CB SER A 5 -3.936 7.522 -12.146 1.00 0.00 C ATOM 42 OG SER A 5 -3.982 6.098 -12.151 1.00 0.00 O ATOM 0 H SER A 5 -4.576 10.094 -12.335 1.00 0.00 H new ATOM 0 HA SER A 5 -5.916 7.532 -12.946 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.319 7.868 -12.975 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.459 7.866 -11.228 1.00 0.00 H new ATOM 0 HG SER A 5 -3.072 5.741 -12.080 1.00 0.00 H new ATOM 48 N SER A 6 -6.704 7.054 -10.601 1.00 0.00 N ATOM 49 CA SER A 6 -7.408 6.923 -9.337 1.00 0.00 C ATOM 50 C SER A 6 -6.813 5.771 -8.524 1.00 0.00 C ATOM 51 O SER A 6 -7.055 4.604 -8.826 1.00 0.00 O ATOM 52 CB SER A 6 -8.905 6.697 -9.561 1.00 0.00 C ATOM 53 OG SER A 6 -9.559 7.876 -10.021 1.00 0.00 O ATOM 0 H SER A 6 -6.787 6.248 -11.221 1.00 0.00 H new ATOM 0 HA SER A 6 -7.288 7.852 -8.780 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.046 5.897 -10.288 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.365 6.367 -8.630 1.00 0.00 H new ATOM 0 HG SER A 6 -10.512 7.691 -10.154 1.00 0.00 H new ATOM 59 N GLY A 7 -6.047 6.140 -7.508 1.00 0.00 N ATOM 60 CA GLY A 7 -5.416 5.153 -6.649 1.00 0.00 C ATOM 61 C GLY A 7 -4.606 5.828 -5.541 1.00 0.00 C ATOM 62 O GLY A 7 -4.330 7.025 -5.609 1.00 0.00 O ATOM 0 H GLY A 7 -5.849 7.109 -7.260 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.177 4.510 -6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.764 4.513 -7.243 1.00 0.00 H new ATOM 66 N GLU A 8 -4.248 5.031 -4.544 1.00 0.00 N ATOM 67 CA GLU A 8 -3.475 5.537 -3.423 1.00 0.00 C ATOM 68 C GLU A 8 -2.054 4.971 -3.459 1.00 0.00 C ATOM 69 O GLU A 8 -1.860 3.761 -3.355 1.00 0.00 O ATOM 70 CB GLU A 8 -4.160 5.211 -2.094 1.00 0.00 C ATOM 71 CG GLU A 8 -4.901 6.433 -1.545 1.00 0.00 C ATOM 72 CD GLU A 8 -4.184 7.004 -0.320 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.155 7.682 -0.529 1.00 0.00 O ATOM 74 OE2 GLU A 8 -4.681 6.748 0.798 1.00 0.00 O ATOM 0 H GLU A 8 -4.479 4.039 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.416 6.622 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.861 4.389 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.417 4.876 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.972 7.198 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.920 6.155 -1.277 1.00 0.00 H new ATOM 81 N GLU A 9 -1.095 5.874 -3.608 1.00 0.00 N ATOM 82 CA GLU A 9 0.302 5.481 -3.660 1.00 0.00 C ATOM 83 C GLU A 9 0.839 5.241 -2.247 1.00 0.00 C ATOM 84 O GLU A 9 0.614 6.050 -1.348 1.00 0.00 O ATOM 85 CB GLU A 9 1.140 6.529 -4.394 1.00 0.00 C ATOM 86 CG GLU A 9 1.949 5.891 -5.526 1.00 0.00 C ATOM 87 CD GLU A 9 1.970 6.794 -6.761 1.00 0.00 C ATOM 88 OE1 GLU A 9 0.977 6.741 -7.519 1.00 0.00 O ATOM 89 OE2 GLU A 9 2.978 7.516 -6.919 1.00 0.00 O ATOM 0 H GLU A 9 -1.259 6.877 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 9 0.376 4.548 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.488 7.302 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.815 7.018 -3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.969 5.706 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.518 4.924 -5.785 1.00 0.00 H new ATOM 96 N PHE A 10 1.538 4.126 -2.096 1.00 0.00 N ATOM 97 CA PHE A 10 2.109 3.769 -0.808 1.00 0.00 C ATOM 98 C PHE A 10 3.507 3.171 -0.974 1.00 0.00 C ATOM 99 O PHE A 10 3.872 2.731 -2.063 1.00 0.00 O ATOM 100 CB PHE A 10 1.188 2.717 -0.187 1.00 0.00 C ATOM 101 CG PHE A 10 0.084 3.301 0.698 1.00 0.00 C ATOM 102 CD1 PHE A 10 -0.920 4.029 0.140 1.00 0.00 C ATOM 103 CD2 PHE A 10 0.106 3.091 2.041 1.00 0.00 C ATOM 104 CE1 PHE A 10 -1.945 4.571 0.961 1.00 0.00 C ATOM 105 CE2 PHE A 10 -0.918 3.632 2.862 1.00 0.00 C ATOM 106 CZ PHE A 10 -1.922 4.361 2.304 1.00 0.00 C ATOM 0 H PHE A 10 1.722 3.458 -2.844 1.00 0.00 H new ATOM 0 HA PHE A 10 2.195 4.656 -0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.729 2.134 -0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.789 2.028 0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.938 4.195 -0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.903 2.512 2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.742 5.150 0.518 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.900 3.465 3.929 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.701 4.773 2.928 1.00 0.00 H new ATOM 116 N VAL A 11 4.251 3.174 0.122 1.00 0.00 N ATOM 117 CA VAL A 11 5.601 2.637 0.111 1.00 0.00 C ATOM 118 C VAL A 11 5.697 1.489 1.118 1.00 0.00 C ATOM 119 O VAL A 11 5.148 1.574 2.216 1.00 0.00 O ATOM 120 CB VAL A 11 6.611 3.755 0.381 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.831 3.222 1.135 1.00 0.00 C ATOM 122 CG2 VAL A 11 7.028 4.443 -0.921 1.00 0.00 C ATOM 0 H VAL A 11 3.945 3.540 1.024 1.00 0.00 H new ATOM 0 HA VAL A 11 5.842 2.229 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 11 6.126 4.499 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.533 4.037 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.514 2.800 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.317 2.449 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.746 5.233 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.485 3.712 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.150 4.874 -1.402 1.00 0.00 H new ATOM 132 N ALA A 12 6.399 0.443 0.709 1.00 0.00 N ATOM 133 CA ALA A 12 6.574 -0.721 1.561 1.00 0.00 C ATOM 134 C ALA A 12 7.579 -0.391 2.666 1.00 0.00 C ATOM 135 O ALA A 12 8.722 -0.034 2.384 1.00 0.00 O ATOM 136 CB ALA A 12 7.012 -1.916 0.712 1.00 0.00 C ATOM 0 H ALA A 12 6.854 0.377 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 12 5.633 -0.991 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.143 -2.789 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.251 -2.128 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.955 -1.684 0.217 1.00 0.00 H new ATOM 142 N ILE A 13 7.118 -0.523 3.901 1.00 0.00 N ATOM 143 CA ILE A 13 7.962 -0.244 5.050 1.00 0.00 C ATOM 144 C ILE A 13 8.869 -1.447 5.315 1.00 0.00 C ATOM 145 O ILE A 13 9.649 -1.444 6.267 1.00 0.00 O ATOM 146 CB ILE A 13 7.111 0.163 6.255 1.00 0.00 C ATOM 147 CG1 ILE A 13 6.088 -0.922 6.594 1.00 0.00 C ATOM 148 CG2 ILE A 13 6.450 1.523 6.025 1.00 0.00 C ATOM 149 CD1 ILE A 13 5.919 -1.063 8.108 1.00 0.00 C ATOM 0 H ILE A 13 6.170 -0.820 4.131 1.00 0.00 H new ATOM 0 HA ILE A 13 8.612 0.607 4.847 1.00 0.00 H new ATOM 0 HB ILE A 13 7.768 0.267 7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.128 -0.677 6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.408 -1.874 6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.851 1.788 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.219 2.280 5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.808 1.471 5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.186 -1.841 8.321 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.875 -1.332 8.557 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.575 -0.117 8.525 1.00 0.00 H new ATOM 161 N ALA A 14 8.736 -2.449 4.458 1.00 0.00 N ATOM 162 CA ALA A 14 9.534 -3.656 4.588 1.00 0.00 C ATOM 163 C ALA A 14 9.314 -4.542 3.360 1.00 0.00 C ATOM 164 O ALA A 14 8.281 -4.446 2.698 1.00 0.00 O ATOM 165 CB ALA A 14 9.172 -4.368 5.893 1.00 0.00 C ATOM 0 H ALA A 14 8.087 -2.449 3.671 1.00 0.00 H new ATOM 0 HA ALA A 14 10.595 -3.412 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.770 -5.274 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.373 -3.707 6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.114 -4.631 5.883 1.00 0.00 H new ATOM 171 N ASP A 15 10.301 -5.384 3.093 1.00 0.00 N ATOM 172 CA ASP A 15 10.228 -6.287 1.956 1.00 0.00 C ATOM 173 C ASP A 15 9.267 -7.432 2.281 1.00 0.00 C ATOM 174 O ASP A 15 9.316 -7.999 3.371 1.00 0.00 O ATOM 175 CB ASP A 15 11.598 -6.893 1.646 1.00 0.00 C ATOM 176 CG ASP A 15 12.172 -7.791 2.744 1.00 0.00 C ATOM 177 OD1 ASP A 15 12.728 -7.224 3.709 1.00 0.00 O ATOM 178 OD2 ASP A 15 12.041 -9.025 2.593 1.00 0.00 O ATOM 0 H ASP A 15 11.156 -5.460 3.644 1.00 0.00 H new ATOM 0 HA ASP A 15 9.882 -5.717 1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.522 -7.473 0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.302 -6.083 1.455 1.00 0.00 H new ATOM 183 N TYR A 16 8.415 -7.738 1.313 1.00 0.00 N ATOM 184 CA TYR A 16 7.444 -8.806 1.482 1.00 0.00 C ATOM 185 C TYR A 16 7.534 -9.815 0.336 1.00 0.00 C ATOM 186 O TYR A 16 8.119 -9.526 -0.707 1.00 0.00 O ATOM 187 CB TYR A 16 6.069 -8.135 1.448 1.00 0.00 C ATOM 188 CG TYR A 16 4.898 -9.118 1.395 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.384 -9.642 2.563 1.00 0.00 C ATOM 190 CD2 TYR A 16 4.356 -9.480 0.179 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.282 -10.568 2.514 1.00 0.00 C ATOM 192 CE2 TYR A 16 3.253 -10.405 0.129 1.00 0.00 C ATOM 193 CZ TYR A 16 2.771 -10.903 1.299 1.00 0.00 C ATOM 194 OH TYR A 16 1.729 -11.777 1.252 1.00 0.00 O ATOM 0 H TYR A 16 8.377 -7.265 0.410 1.00 0.00 H new ATOM 0 HA TYR A 16 7.624 -9.344 2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.962 -7.505 2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.018 -7.478 0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.808 -9.358 3.515 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.759 -9.070 -0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.871 -10.987 3.421 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.819 -10.696 -0.816 1.00 0.00 H new ATOM 0 HH TYR A 16 1.644 -12.231 2.116 1.00 0.00 H new ATOM 204 N ALA A 17 6.945 -10.979 0.567 1.00 0.00 N ATOM 205 CA ALA A 17 6.951 -12.033 -0.433 1.00 0.00 C ATOM 206 C ALA A 17 5.594 -12.740 -0.432 1.00 0.00 C ATOM 207 O ALA A 17 5.240 -13.409 0.538 1.00 0.00 O ATOM 208 CB ALA A 17 8.109 -12.994 -0.155 1.00 0.00 C ATOM 0 H ALA A 17 6.460 -11.215 1.433 1.00 0.00 H new ATOM 0 HA ALA A 17 7.105 -11.616 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.114 -13.785 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.052 -12.449 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.987 -13.434 0.835 1.00 0.00 H new ATOM 214 N ALA A 18 4.872 -12.567 -1.529 1.00 0.00 N ATOM 215 CA ALA A 18 3.562 -13.180 -1.667 1.00 0.00 C ATOM 216 C ALA A 18 3.675 -14.682 -1.394 1.00 0.00 C ATOM 217 O ALA A 18 4.571 -15.345 -1.914 1.00 0.00 O ATOM 218 CB ALA A 18 3.002 -12.881 -3.059 1.00 0.00 C ATOM 0 H ALA A 18 5.169 -12.011 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 18 2.865 -12.764 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.019 -13.341 -3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.914 -11.803 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.674 -13.286 -3.816 1.00 0.00 H new ATOM 224 N THR A 19 2.753 -15.173 -0.579 1.00 0.00 N ATOM 225 CA THR A 19 2.738 -16.584 -0.230 1.00 0.00 C ATOM 226 C THR A 19 1.691 -17.327 -1.062 1.00 0.00 C ATOM 227 O THR A 19 1.722 -18.554 -1.153 1.00 0.00 O ATOM 228 CB THR A 19 2.506 -16.696 1.278 1.00 0.00 C ATOM 229 OG1 THR A 19 1.119 -16.411 1.439 1.00 0.00 O ATOM 230 CG2 THR A 19 3.208 -15.585 2.062 1.00 0.00 C ATOM 0 H THR A 19 2.011 -14.619 -0.150 1.00 0.00 H new ATOM 0 HA THR A 19 3.691 -17.059 -0.463 1.00 0.00 H new ATOM 0 HB THR A 19 2.858 -17.666 1.628 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.842 -15.749 0.772 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.011 -15.711 3.127 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.282 -15.636 1.883 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.831 -14.616 1.736 1.00 0.00 H new ATOM 238 N ASP A 20 0.790 -16.554 -1.649 1.00 0.00 N ATOM 239 CA ASP A 20 -0.265 -17.124 -2.471 1.00 0.00 C ATOM 240 C ASP A 20 -0.155 -16.567 -3.891 1.00 0.00 C ATOM 241 O ASP A 20 0.703 -15.731 -4.170 1.00 0.00 O ATOM 242 CB ASP A 20 -1.646 -16.759 -1.925 1.00 0.00 C ATOM 243 CG ASP A 20 -2.681 -17.884 -1.979 1.00 0.00 C ATOM 244 OD1 ASP A 20 -2.662 -18.718 -1.048 1.00 0.00 O ATOM 245 OD2 ASP A 20 -3.468 -17.886 -2.951 1.00 0.00 O ATOM 0 H ASP A 20 0.768 -15.537 -1.572 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.150 -18.208 -2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.537 -16.436 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.028 -15.907 -2.487 1.00 0.00 H new ATOM 250 N GLU A 21 -1.037 -17.052 -4.753 1.00 0.00 N ATOM 251 CA GLU A 21 -1.050 -16.613 -6.138 1.00 0.00 C ATOM 252 C GLU A 21 -2.035 -15.456 -6.319 1.00 0.00 C ATOM 253 O GLU A 21 -2.435 -15.146 -7.440 1.00 0.00 O ATOM 254 CB GLU A 21 -1.388 -17.773 -7.077 1.00 0.00 C ATOM 255 CG GLU A 21 -2.778 -18.336 -6.775 1.00 0.00 C ATOM 256 CD GLU A 21 -3.279 -19.209 -7.927 1.00 0.00 C ATOM 257 OE1 GLU A 21 -2.486 -20.064 -8.378 1.00 0.00 O ATOM 258 OE2 GLU A 21 -4.443 -19.002 -8.332 1.00 0.00 O ATOM 0 H GLU A 21 -1.748 -17.745 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.052 -16.258 -6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.347 -17.432 -8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.642 -18.561 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.745 -18.923 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.477 -17.517 -6.604 1.00 0.00 H new ATOM 265 N THR A 22 -2.398 -14.850 -5.198 1.00 0.00 N ATOM 266 CA THR A 22 -3.328 -13.734 -5.219 1.00 0.00 C ATOM 267 C THR A 22 -2.764 -12.554 -4.424 1.00 0.00 C ATOM 268 O THR A 22 -3.512 -11.680 -3.990 1.00 0.00 O ATOM 269 CB THR A 22 -4.676 -14.232 -4.692 1.00 0.00 C ATOM 270 OG1 THR A 22 -4.372 -14.758 -3.404 1.00 0.00 O ATOM 271 CG2 THR A 22 -5.200 -15.438 -5.474 1.00 0.00 C ATOM 0 H THR A 22 -2.065 -15.111 -4.270 1.00 0.00 H new ATOM 0 HA THR A 22 -3.476 -13.362 -6.233 1.00 0.00 H new ATOM 0 HB THR A 22 -5.406 -13.424 -4.740 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.191 -15.102 -2.989 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.158 -15.752 -5.060 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.329 -15.164 -6.521 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.486 -16.258 -5.399 1.00 0.00 H new ATOM 279 N GLN A 23 -1.450 -12.569 -4.258 1.00 0.00 N ATOM 280 CA GLN A 23 -0.777 -11.511 -3.524 1.00 0.00 C ATOM 281 C GLN A 23 0.282 -10.844 -4.404 1.00 0.00 C ATOM 282 O GLN A 23 0.591 -11.335 -5.489 1.00 0.00 O ATOM 283 CB GLN A 23 -0.157 -12.049 -2.233 1.00 0.00 C ATOM 284 CG GLN A 23 -1.237 -12.379 -1.201 1.00 0.00 C ATOM 285 CD GLN A 23 -0.686 -13.286 -0.100 1.00 0.00 C ATOM 286 OE1 GLN A 23 -0.362 -14.443 -0.316 1.00 0.00 O ATOM 287 NE2 GLN A 23 -0.596 -12.699 1.090 1.00 0.00 N ATOM 0 H GLN A 23 -0.833 -13.297 -4.619 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.517 -10.760 -3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.427 -12.943 -2.451 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.531 -11.311 -1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.618 -11.457 -0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.078 -12.868 -1.693 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.884 -11.727 1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.239 -13.221 1.890 1.00 0.00 H new ATOM 296 N LEU A 24 0.809 -9.736 -3.904 1.00 0.00 N ATOM 297 CA LEU A 24 1.827 -8.997 -4.632 1.00 0.00 C ATOM 298 C LEU A 24 3.101 -8.925 -3.787 1.00 0.00 C ATOM 299 O LEU A 24 3.033 -8.823 -2.563 1.00 0.00 O ATOM 300 CB LEU A 24 1.293 -7.628 -5.057 1.00 0.00 C ATOM 301 CG LEU A 24 0.229 -7.635 -6.156 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.148 -6.209 -6.564 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.682 -8.473 -7.354 1.00 0.00 C ATOM 0 H LEU A 24 0.550 -9.332 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 24 2.086 -9.514 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.877 -7.134 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.133 -7.022 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.670 -8.104 -5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.906 -6.243 -7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.543 -5.675 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.736 -5.692 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.093 -8.461 -8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.603 -8.056 -7.762 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.859 -9.500 -7.034 1.00 0.00 H new ATOM 315 N SER A 25 4.232 -8.981 -4.474 1.00 0.00 N ATOM 316 CA SER A 25 5.519 -8.923 -3.802 1.00 0.00 C ATOM 317 C SER A 25 6.233 -7.616 -4.150 1.00 0.00 C ATOM 318 O SER A 25 6.242 -7.198 -5.307 1.00 0.00 O ATOM 319 CB SER A 25 6.392 -10.121 -4.181 1.00 0.00 C ATOM 320 OG SER A 25 5.673 -11.350 -4.108 1.00 0.00 O ATOM 0 H SER A 25 4.284 -9.066 -5.489 1.00 0.00 H new ATOM 0 HA SER A 25 5.345 -8.959 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.775 -9.985 -5.192 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.255 -10.166 -3.516 1.00 0.00 H new ATOM 0 HG SER A 25 6.264 -12.090 -4.359 1.00 0.00 H new ATOM 326 N PHE A 26 6.814 -7.006 -3.127 1.00 0.00 N ATOM 327 CA PHE A 26 7.529 -5.754 -3.311 1.00 0.00 C ATOM 328 C PHE A 26 8.697 -5.641 -2.329 1.00 0.00 C ATOM 329 O PHE A 26 8.891 -6.515 -1.486 1.00 0.00 O ATOM 330 CB PHE A 26 6.533 -4.626 -3.033 1.00 0.00 C ATOM 331 CG PHE A 26 5.520 -4.947 -1.932 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.909 -4.946 -0.629 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.231 -5.232 -2.257 1.00 0.00 C ATOM 334 CE1 PHE A 26 4.969 -5.244 0.393 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.290 -5.530 -1.236 1.00 0.00 C ATOM 336 CZ PHE A 26 3.679 -5.530 0.068 1.00 0.00 C ATOM 0 H PHE A 26 6.804 -7.355 -2.169 1.00 0.00 H new ATOM 0 HA PHE A 26 7.933 -5.700 -4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.085 -3.728 -2.754 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.994 -4.396 -3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.933 -4.719 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.923 -5.232 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.278 -5.244 1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.266 -5.757 -1.494 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.964 -5.757 0.845 1.00 0.00 H new ATOM 346 N LEU A 27 9.444 -4.556 -2.471 1.00 0.00 N ATOM 347 CA LEU A 27 10.588 -4.317 -1.607 1.00 0.00 C ATOM 348 C LEU A 27 10.387 -3.000 -0.854 1.00 0.00 C ATOM 349 O LEU A 27 9.731 -2.088 -1.356 1.00 0.00 O ATOM 350 CB LEU A 27 11.888 -4.373 -2.411 1.00 0.00 C ATOM 351 CG LEU A 27 12.892 -3.250 -2.143 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.613 -3.465 -0.811 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.873 -3.102 -3.308 1.00 0.00 C ATOM 0 H LEU A 27 9.280 -3.833 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 27 10.670 -5.104 -0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.376 -5.326 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.637 -4.363 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 27 12.342 -2.312 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.321 -2.653 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.884 -3.482 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.149 -4.414 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.576 -2.297 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.420 -4.035 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.323 -2.868 -4.220 1.00 0.00 H new ATOM 365 N ARG A 28 10.963 -2.942 0.337 1.00 0.00 N ATOM 366 CA ARG A 28 10.856 -1.752 1.164 1.00 0.00 C ATOM 367 C ARG A 28 11.147 -0.501 0.333 1.00 0.00 C ATOM 368 O ARG A 28 12.290 -0.257 -0.050 1.00 0.00 O ATOM 369 CB ARG A 28 11.829 -1.810 2.343 1.00 0.00 C ATOM 370 CG ARG A 28 11.753 -0.532 3.180 1.00 0.00 C ATOM 371 CD ARG A 28 12.377 -0.743 4.561 1.00 0.00 C ATOM 372 NE ARG A 28 12.175 0.461 5.397 1.00 0.00 N ATOM 373 CZ ARG A 28 12.689 0.619 6.624 1.00 0.00 C ATOM 374 NH1 ARG A 28 13.438 -0.351 7.166 1.00 0.00 N ATOM 375 NH2 ARG A 28 12.453 1.746 7.310 1.00 0.00 N ATOM 0 H ARG A 28 11.506 -3.700 0.750 1.00 0.00 H new ATOM 0 HA ARG A 28 9.838 -1.708 1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.598 -2.673 2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.845 -1.947 1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.270 0.277 2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.713 -0.226 3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.927 -1.611 5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.442 -0.951 4.460 1.00 0.00 H new ATOM 0 HE ARG A 28 11.609 1.218 5.015 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.617 -1.209 6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.830 -0.231 8.100 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.882 2.484 6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.845 1.866 8.244 1.00 0.00 H new ATOM 389 N GLY A 29 10.092 0.260 0.078 1.00 0.00 N ATOM 390 CA GLY A 29 10.220 1.480 -0.701 1.00 0.00 C ATOM 391 C GLY A 29 9.330 1.432 -1.945 1.00 0.00 C ATOM 392 O GLY A 29 8.718 2.433 -2.314 1.00 0.00 O ATOM 0 H GLY A 29 9.145 0.055 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.947 2.338 -0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.259 1.619 -0.998 1.00 0.00 H new ATOM 396 N GLU A 30 9.287 0.258 -2.558 1.00 0.00 N ATOM 397 CA GLU A 30 8.482 0.067 -3.752 1.00 0.00 C ATOM 398 C GLU A 30 7.149 0.805 -3.618 1.00 0.00 C ATOM 399 O GLU A 30 6.476 0.699 -2.594 1.00 0.00 O ATOM 400 CB GLU A 30 8.259 -1.421 -4.031 1.00 0.00 C ATOM 401 CG GLU A 30 9.200 -1.921 -5.128 1.00 0.00 C ATOM 402 CD GLU A 30 8.432 -2.215 -6.418 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.953 -3.363 -6.544 1.00 0.00 O ATOM 404 OE2 GLU A 30 8.340 -1.285 -7.248 1.00 0.00 O ATOM 0 H GLU A 30 9.797 -0.570 -2.250 1.00 0.00 H new ATOM 0 HA GLU A 30 9.023 0.485 -4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.422 -1.994 -3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.224 -1.587 -4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.969 -1.173 -5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.710 -2.823 -4.791 1.00 0.00 H new ATOM 411 N LYS A 31 6.807 1.538 -4.668 1.00 0.00 N ATOM 412 CA LYS A 31 5.566 2.294 -4.680 1.00 0.00 C ATOM 413 C LYS A 31 4.399 1.346 -4.963 1.00 0.00 C ATOM 414 O LYS A 31 4.196 0.927 -6.101 1.00 0.00 O ATOM 415 CB LYS A 31 5.661 3.463 -5.663 1.00 0.00 C ATOM 416 CG LYS A 31 6.263 4.698 -4.991 1.00 0.00 C ATOM 417 CD LYS A 31 7.786 4.711 -5.130 1.00 0.00 C ATOM 418 CE LYS A 31 8.429 5.571 -4.041 1.00 0.00 C ATOM 419 NZ LYS A 31 9.429 6.490 -4.630 1.00 0.00 N ATOM 0 H LYS A 31 7.367 1.624 -5.516 1.00 0.00 H new ATOM 0 HA LYS A 31 5.383 2.742 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.273 3.175 -6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.669 3.701 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.846 5.600 -5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.991 4.711 -3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.169 3.692 -5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.062 5.095 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.661 6.144 -3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.907 4.931 -3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.856 7.067 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.170 5.937 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.964 7.112 -5.321 1.00 0.00 H new ATOM 433 N ILE A 32 3.661 1.036 -3.906 1.00 0.00 N ATOM 434 CA ILE A 32 2.520 0.145 -4.026 1.00 0.00 C ATOM 435 C ILE A 32 1.236 0.974 -4.091 1.00 0.00 C ATOM 436 O ILE A 32 1.083 1.947 -3.355 1.00 0.00 O ATOM 437 CB ILE A 32 2.527 -0.890 -2.899 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.951 -1.358 -2.593 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.597 -2.061 -3.224 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.487 -2.253 -3.712 1.00 0.00 C ATOM 0 H ILE A 32 3.832 1.386 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 32 2.579 -0.426 -4.952 1.00 0.00 H new ATOM 0 HB ILE A 32 2.143 -0.414 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.603 -0.493 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.963 -1.903 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.621 -2.782 -2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.579 -1.692 -3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.928 -2.544 -4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.501 -2.572 -3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.846 -3.129 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.496 -1.697 -4.650 1.00 0.00 H new ATOM 452 N LEU A 33 0.345 0.559 -4.980 1.00 0.00 N ATOM 453 CA LEU A 33 -0.921 1.251 -5.151 1.00 0.00 C ATOM 454 C LEU A 33 -2.011 0.510 -4.375 1.00 0.00 C ATOM 455 O LEU A 33 -2.084 -0.717 -4.419 1.00 0.00 O ATOM 456 CB LEU A 33 -1.237 1.431 -6.637 1.00 0.00 C ATOM 457 CG LEU A 33 -1.501 2.865 -7.098 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.748 3.438 -6.422 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.271 3.748 -6.875 1.00 0.00 C ATOM 0 H LEU A 33 0.475 -0.248 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.864 2.258 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.404 1.032 -7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.111 0.826 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.695 2.848 -8.170 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.913 4.459 -6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.613 2.825 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.608 3.439 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.486 4.762 -7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.021 3.763 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.571 3.349 -7.441 1.00 0.00 H new ATOM 471 N ILE A 34 -2.832 1.286 -3.683 1.00 0.00 N ATOM 472 CA ILE A 34 -3.916 0.719 -2.899 1.00 0.00 C ATOM 473 C ILE A 34 -5.251 1.042 -3.572 1.00 0.00 C ATOM 474 O ILE A 34 -5.957 1.957 -3.152 1.00 0.00 O ATOM 475 CB ILE A 34 -3.830 1.190 -1.446 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.462 0.862 -0.843 1.00 0.00 C ATOM 477 CG2 ILE A 34 -4.976 0.613 -0.613 1.00 0.00 C ATOM 478 CD1 ILE A 34 -2.148 -0.629 -0.974 1.00 0.00 C ATOM 0 H ILE A 34 -2.768 2.303 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.832 -0.367 -2.863 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.937 2.275 -1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.690 1.445 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.446 1.150 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.891 0.964 0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.929 0.939 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.926 -0.476 -0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.171 -0.835 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.908 -1.208 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.141 -0.908 -2.028 1.00 0.00 H new ATOM 490 N LEU A 35 -5.557 0.273 -4.607 1.00 0.00 N ATOM 491 CA LEU A 35 -6.795 0.466 -5.343 1.00 0.00 C ATOM 492 C LEU A 35 -7.953 0.612 -4.354 1.00 0.00 C ATOM 493 O LEU A 35 -8.554 1.680 -4.249 1.00 0.00 O ATOM 494 CB LEU A 35 -6.994 -0.657 -6.362 1.00 0.00 C ATOM 495 CG LEU A 35 -6.308 -0.464 -7.716 1.00 0.00 C ATOM 496 CD1 LEU A 35 -4.874 0.038 -7.537 1.00 0.00 C ATOM 497 CD2 LEU A 35 -6.366 -1.747 -8.547 1.00 0.00 C ATOM 0 H LEU A 35 -4.969 -0.485 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.753 1.387 -5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.632 -1.587 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.063 -0.780 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.851 0.303 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.409 0.167 -8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.886 0.993 -7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.304 -0.688 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.872 -1.583 -9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.861 -2.551 -8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.407 -2.023 -8.719 1.00 0.00 H new ATOM 509 N ARG A 36 -8.233 -0.478 -3.654 1.00 0.00 N ATOM 510 CA ARG A 36 -9.308 -0.485 -2.677 1.00 0.00 C ATOM 511 C ARG A 36 -8.872 -1.226 -1.412 1.00 0.00 C ATOM 512 O ARG A 36 -7.752 -1.730 -1.338 1.00 0.00 O ATOM 513 CB ARG A 36 -10.563 -1.153 -3.244 1.00 0.00 C ATOM 514 CG ARG A 36 -11.070 -0.406 -4.479 1.00 0.00 C ATOM 515 CD ARG A 36 -12.188 -1.189 -5.172 1.00 0.00 C ATOM 516 NE ARG A 36 -13.497 -0.558 -4.889 1.00 0.00 N ATOM 517 CZ ARG A 36 -13.843 0.671 -5.296 1.00 0.00 C ATOM 518 NH1 ARG A 36 -12.978 1.409 -6.006 1.00 0.00 N ATOM 519 NH2 ARG A 36 -15.052 1.162 -4.994 1.00 0.00 N ATOM 0 H ARG A 36 -7.733 -1.363 -3.744 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.540 0.552 -2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.342 -2.188 -3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.343 -1.176 -2.483 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.437 0.578 -4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.247 -0.247 -5.176 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.012 -1.215 -6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.190 -2.222 -4.824 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.179 -1.092 -4.350 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.057 1.035 -6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.240 2.345 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.710 0.600 -4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.315 2.098 -5.304 1.00 0.00 H new ATOM 533 N GLN A 37 -9.779 -1.270 -0.448 1.00 0.00 N ATOM 534 CA GLN A 37 -9.502 -1.942 0.811 1.00 0.00 C ATOM 535 C GLN A 37 -10.569 -3.001 1.094 1.00 0.00 C ATOM 536 O GLN A 37 -11.705 -2.668 1.427 1.00 0.00 O ATOM 537 CB GLN A 37 -9.408 -0.936 1.960 1.00 0.00 C ATOM 538 CG GLN A 37 -8.211 -0.002 1.775 1.00 0.00 C ATOM 539 CD GLN A 37 -8.136 1.024 2.908 1.00 0.00 C ATOM 540 OE1 GLN A 37 -9.059 1.195 3.688 1.00 0.00 O ATOM 541 NE2 GLN A 37 -6.989 1.696 2.955 1.00 0.00 N ATOM 0 H GLN A 37 -10.707 -0.851 -0.513 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.537 -2.441 0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.326 -0.351 2.011 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.316 -1.468 2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.291 -0.586 1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.292 0.513 0.818 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.257 1.504 2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.842 2.404 3.675 1.00 0.00 H new ATOM 550 N THR A 38 -10.166 -4.254 0.951 1.00 0.00 N ATOM 551 CA THR A 38 -11.074 -5.364 1.187 1.00 0.00 C ATOM 552 C THR A 38 -11.922 -5.103 2.434 1.00 0.00 C ATOM 553 O THR A 38 -13.150 -5.103 2.364 1.00 0.00 O ATOM 554 CB THR A 38 -10.242 -6.645 1.275 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.323 -6.538 0.191 1.00 0.00 O ATOM 556 CG2 THR A 38 -11.058 -7.897 0.949 1.00 0.00 C ATOM 0 H THR A 38 -9.223 -4.526 0.675 1.00 0.00 H new ATOM 0 HA THR A 38 -11.784 -5.476 0.367 1.00 0.00 H new ATOM 0 HB THR A 38 -9.822 -6.736 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.891 -7.405 0.041 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.420 -8.777 1.026 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.885 -7.986 1.653 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.451 -7.821 -0.065 1.00 0.00 H new ATOM 564 N THR A 39 -11.233 -4.888 3.545 1.00 0.00 N ATOM 565 CA THR A 39 -11.907 -4.626 4.805 1.00 0.00 C ATOM 566 C THR A 39 -11.113 -3.615 5.635 1.00 0.00 C ATOM 567 O THR A 39 -11.660 -2.608 6.081 1.00 0.00 O ATOM 568 CB THR A 39 -12.116 -5.965 5.516 1.00 0.00 C ATOM 569 OG1 THR A 39 -10.796 -6.463 5.715 1.00 0.00 O ATOM 570 CG2 THR A 39 -12.776 -7.010 4.614 1.00 0.00 C ATOM 0 H THR A 39 -10.214 -4.890 3.599 1.00 0.00 H new ATOM 0 HA THR A 39 -12.884 -4.170 4.644 1.00 0.00 H new ATOM 0 HB THR A 39 -12.729 -5.812 6.404 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.838 -7.329 6.172 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.901 -7.941 5.167 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.751 -6.647 4.289 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.146 -7.188 3.742 1.00 0.00 H new ATOM 578 N ALA A 40 -9.837 -3.919 5.816 1.00 0.00 N ATOM 579 CA ALA A 40 -8.962 -3.050 6.585 1.00 0.00 C ATOM 580 C ALA A 40 -7.596 -3.720 6.745 1.00 0.00 C ATOM 581 O ALA A 40 -6.567 -3.046 6.743 1.00 0.00 O ATOM 582 CB ALA A 40 -9.616 -2.729 7.931 1.00 0.00 C ATOM 0 H ALA A 40 -9.387 -4.755 5.443 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.806 -2.105 6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.960 -2.077 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.569 -2.227 7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.786 -3.654 8.483 1.00 0.00 H new ATOM 588 N ASP A 41 -7.631 -5.037 6.879 1.00 0.00 N ATOM 589 CA ASP A 41 -6.408 -5.806 7.040 1.00 0.00 C ATOM 590 C ASP A 41 -5.854 -6.169 5.660 1.00 0.00 C ATOM 591 O ASP A 41 -4.648 -6.090 5.431 1.00 0.00 O ATOM 592 CB ASP A 41 -6.671 -7.106 7.801 1.00 0.00 C ATOM 593 CG ASP A 41 -6.045 -7.178 9.195 1.00 0.00 C ATOM 594 OD1 ASP A 41 -5.017 -6.495 9.391 1.00 0.00 O ATOM 595 OD2 ASP A 41 -6.609 -7.913 10.033 1.00 0.00 O ATOM 0 H ASP A 41 -8.487 -5.592 6.879 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.698 -5.198 7.601 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.748 -7.242 7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.295 -7.939 7.207 1.00 0.00 H new ATOM 600 N TRP A 42 -6.762 -6.558 4.777 1.00 0.00 N ATOM 601 CA TRP A 42 -6.379 -6.933 3.427 1.00 0.00 C ATOM 602 C TRP A 42 -6.795 -5.801 2.485 1.00 0.00 C ATOM 603 O TRP A 42 -7.956 -5.396 2.472 1.00 0.00 O ATOM 604 CB TRP A 42 -6.984 -8.285 3.041 1.00 0.00 C ATOM 605 CG TRP A 42 -6.497 -9.453 3.900 1.00 0.00 C ATOM 606 CD1 TRP A 42 -7.058 -9.950 5.011 1.00 0.00 C ATOM 607 CD2 TRP A 42 -5.319 -10.255 3.673 1.00 0.00 C ATOM 608 NE1 TRP A 42 -6.331 -11.010 5.514 1.00 0.00 N ATOM 609 CE2 TRP A 42 -5.240 -11.201 4.674 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.353 -10.184 2.654 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -4.211 -12.147 4.755 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -3.331 -11.136 2.750 1.00 0.00 C ATOM 613 CH2 TRP A 42 -3.237 -12.095 3.751 1.00 0.00 C ATOM 0 H TRP A 42 -7.762 -6.622 4.970 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.300 -7.066 3.355 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.069 -8.220 3.116 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.748 -8.492 1.997 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.965 -9.569 5.457 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.553 -11.553 6.348 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.396 -9.453 1.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.171 -12.878 5.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.561 -11.124 1.992 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.416 -12.797 3.754 1.00 0.00 H new ATOM 624 N TRP A 43 -5.825 -5.323 1.721 1.00 0.00 N ATOM 625 CA TRP A 43 -6.076 -4.246 0.779 1.00 0.00 C ATOM 626 C TRP A 43 -5.885 -4.800 -0.635 1.00 0.00 C ATOM 627 O TRP A 43 -5.126 -5.747 -0.837 1.00 0.00 O ATOM 628 CB TRP A 43 -5.182 -3.040 1.074 1.00 0.00 C ATOM 629 CG TRP A 43 -5.481 -2.356 2.410 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.433 -2.665 3.300 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.780 -1.227 2.973 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.398 -1.822 4.392 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.361 -0.919 4.187 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.692 -0.490 2.474 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -4.922 0.131 5.002 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.266 0.556 3.301 1.00 0.00 C ATOM 637 CH2 TRP A 43 -3.839 0.879 4.525 1.00 0.00 C ATOM 0 H TRP A 43 -4.863 -5.662 1.735 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.099 -3.881 0.875 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.141 -3.362 1.067 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.295 -2.312 0.271 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.140 -3.473 3.178 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.019 -1.855 5.201 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.222 -0.713 1.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.394 0.352 5.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.433 1.155 2.964 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.451 1.703 5.105 1.00 0.00 H new ATOM 648 N TRP A 44 -6.586 -4.185 -1.576 1.00 0.00 N ATOM 649 CA TRP A 44 -6.503 -4.605 -2.965 1.00 0.00 C ATOM 650 C TRP A 44 -5.554 -3.650 -3.692 1.00 0.00 C ATOM 651 O TRP A 44 -5.918 -2.512 -3.986 1.00 0.00 O ATOM 652 CB TRP A 44 -7.892 -4.668 -3.603 1.00 0.00 C ATOM 653 CG TRP A 44 -7.878 -5.024 -5.090 1.00 0.00 C ATOM 654 CD1 TRP A 44 -7.999 -4.197 -6.138 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.730 -6.343 -5.658 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.939 -4.883 -7.334 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.771 -6.229 -7.032 1.00 0.00 C ATOM 658 CE3 TRP A 44 -7.567 -7.590 -5.030 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.656 -7.325 -7.896 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -7.454 -8.676 -5.907 1.00 0.00 C ATOM 661 CH2 TRP A 44 -7.493 -8.578 -7.293 1.00 0.00 C ATOM 0 H TRP A 44 -7.214 -3.400 -1.404 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.103 -5.616 -3.039 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.493 -5.405 -3.069 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.383 -3.703 -3.475 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.127 -3.128 -6.057 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.006 -4.477 -8.267 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.532 -7.702 -3.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.691 -7.210 -8.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -7.328 -9.658 -5.476 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.398 -9.465 -7.902 1.00 0.00 H new ATOM 672 N GLY A 45 -4.356 -4.148 -3.961 1.00 0.00 N ATOM 673 CA GLY A 45 -3.352 -3.353 -4.647 1.00 0.00 C ATOM 674 C GLY A 45 -3.272 -3.731 -6.128 1.00 0.00 C ATOM 675 O GLY A 45 -4.033 -4.574 -6.599 1.00 0.00 O ATOM 0 H GLY A 45 -4.058 -5.092 -3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.593 -2.294 -4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.380 -3.503 -4.177 1.00 0.00 H new ATOM 679 N GLU A 46 -2.343 -3.089 -6.820 1.00 0.00 N ATOM 680 CA GLU A 46 -2.153 -3.347 -8.237 1.00 0.00 C ATOM 681 C GLU A 46 -0.695 -3.102 -8.631 1.00 0.00 C ATOM 682 O GLU A 46 -0.183 -1.995 -8.470 1.00 0.00 O ATOM 683 CB GLU A 46 -3.100 -2.493 -9.082 1.00 0.00 C ATOM 684 CG GLU A 46 -2.812 -2.668 -10.575 1.00 0.00 C ATOM 685 CD GLU A 46 -3.423 -1.525 -11.388 1.00 0.00 C ATOM 686 OE1 GLU A 46 -2.834 -0.423 -11.351 1.00 0.00 O ATOM 687 OE2 GLU A 46 -4.466 -1.779 -12.029 1.00 0.00 O ATOM 0 H GLU A 46 -1.713 -2.390 -6.426 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.390 -4.393 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.132 -2.772 -8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.992 -1.444 -8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.735 -2.701 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.217 -3.620 -10.918 1.00 0.00 H new ATOM 694 N ARG A 47 -0.068 -4.152 -9.140 1.00 0.00 N ATOM 695 CA ARG A 47 1.321 -4.064 -9.558 1.00 0.00 C ATOM 696 C ARG A 47 1.407 -3.710 -11.044 1.00 0.00 C ATOM 697 O ARG A 47 0.390 -3.438 -11.680 1.00 0.00 O ATOM 698 CB ARG A 47 2.055 -5.384 -9.312 1.00 0.00 C ATOM 699 CG ARG A 47 2.750 -5.380 -7.949 1.00 0.00 C ATOM 700 CD ARG A 47 4.209 -4.939 -8.079 1.00 0.00 C ATOM 701 NE ARG A 47 4.306 -3.468 -7.957 1.00 0.00 N ATOM 702 CZ ARG A 47 5.409 -2.762 -8.239 1.00 0.00 C ATOM 703 NH1 ARG A 47 6.517 -3.388 -8.660 1.00 0.00 N ATOM 704 NH2 ARG A 47 5.406 -1.429 -8.100 1.00 0.00 N ATOM 0 H ARG A 47 -0.496 -5.068 -9.273 1.00 0.00 H new ATOM 0 HA ARG A 47 1.796 -3.281 -8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.348 -6.212 -9.361 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.791 -5.547 -10.099 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.223 -4.710 -7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.705 -6.377 -7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.812 -5.417 -7.307 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.610 -5.260 -9.040 1.00 0.00 H new ATOM 0 HE ARG A 47 3.481 -2.959 -7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.521 -4.402 -8.766 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.356 -2.850 -8.875 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.564 -0.952 -7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.246 -0.892 -8.315 1.00 0.00 H new ATOM 718 N ALA A 48 2.630 -3.725 -11.553 1.00 0.00 N ATOM 719 CA ALA A 48 2.862 -3.408 -12.952 1.00 0.00 C ATOM 720 C ALA A 48 2.099 -4.403 -13.829 1.00 0.00 C ATOM 721 O ALA A 48 2.523 -5.547 -13.990 1.00 0.00 O ATOM 722 CB ALA A 48 4.365 -3.415 -13.235 1.00 0.00 C ATOM 0 H ALA A 48 3.471 -3.952 -11.022 1.00 0.00 H new ATOM 0 HA ALA A 48 2.491 -2.410 -13.186 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.539 -3.177 -14.284 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.857 -2.671 -12.608 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.772 -4.402 -13.014 1.00 0.00 H new ATOM 728 N GLY A 49 0.986 -3.932 -14.373 1.00 0.00 N ATOM 729 CA GLY A 49 0.160 -4.766 -15.229 1.00 0.00 C ATOM 730 C GLY A 49 -0.397 -5.963 -14.455 1.00 0.00 C ATOM 731 O GLY A 49 -1.004 -6.858 -15.042 1.00 0.00 O ATOM 0 H GLY A 49 0.637 -2.983 -14.237 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.662 -4.176 -15.634 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.748 -5.118 -16.077 1.00 0.00 H new ATOM 735 N CYS A 50 -0.171 -5.941 -13.150 1.00 0.00 N ATOM 736 CA CYS A 50 -0.643 -7.013 -12.291 1.00 0.00 C ATOM 737 C CYS A 50 -1.689 -6.438 -11.335 1.00 0.00 C ATOM 738 O CYS A 50 -1.744 -5.227 -11.124 1.00 0.00 O ATOM 739 CB CYS A 50 0.509 -7.684 -11.539 1.00 0.00 C ATOM 740 SG CYS A 50 0.962 -9.255 -12.361 1.00 0.00 S ATOM 0 H CYS A 50 0.333 -5.197 -12.667 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.099 -7.795 -12.899 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.371 -7.018 -11.509 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.218 -7.875 -10.506 1.00 0.00 H new ATOM 0 HG CYS A 50 1.942 -9.815 -11.716 1.00 0.00 H new ATOM 746 N CYS A 51 -2.494 -7.332 -10.781 1.00 0.00 N ATOM 747 CA CYS A 51 -3.536 -6.928 -9.852 1.00 0.00 C ATOM 748 C CYS A 51 -3.742 -8.057 -8.840 1.00 0.00 C ATOM 749 O CYS A 51 -4.205 -9.140 -9.198 1.00 0.00 O ATOM 750 CB CYS A 51 -4.834 -6.570 -10.579 1.00 0.00 C ATOM 751 SG CYS A 51 -4.462 -5.583 -12.075 1.00 0.00 S ATOM 0 H CYS A 51 -2.446 -8.335 -10.958 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.228 -6.023 -9.328 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.368 -7.479 -10.856 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.489 -6.006 -9.915 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.250 -5.119 -11.998 1.00 0.00 H new ATOM 757 N GLY A 52 -3.388 -7.766 -7.597 1.00 0.00 N ATOM 758 CA GLY A 52 -3.529 -8.744 -6.531 1.00 0.00 C ATOM 759 C GLY A 52 -3.828 -8.059 -5.196 1.00 0.00 C ATOM 760 O GLY A 52 -3.974 -6.839 -5.138 1.00 0.00 O ATOM 0 H GLY A 52 -3.004 -6.868 -7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.332 -9.440 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.614 -9.330 -6.446 1.00 0.00 H new ATOM 764 N TYR A 53 -3.911 -8.875 -4.155 1.00 0.00 N ATOM 765 CA TYR A 53 -4.190 -8.363 -2.824 1.00 0.00 C ATOM 766 C TYR A 53 -2.895 -8.040 -2.077 1.00 0.00 C ATOM 767 O TYR A 53 -1.829 -8.544 -2.429 1.00 0.00 O ATOM 768 CB TYR A 53 -4.924 -9.485 -2.086 1.00 0.00 C ATOM 769 CG TYR A 53 -6.429 -9.528 -2.357 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.275 -8.668 -1.687 1.00 0.00 C ATOM 771 CD2 TYR A 53 -6.940 -10.426 -3.271 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.692 -8.708 -1.942 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.357 -10.466 -3.526 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.163 -9.605 -2.848 1.00 0.00 C ATOM 775 OH TYR A 53 -10.501 -9.643 -3.089 1.00 0.00 O ATOM 0 H TYR A 53 -3.790 -9.886 -4.206 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.776 -7.446 -2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.486 -10.441 -2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.761 -9.368 -1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.875 -7.965 -0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.278 -11.099 -3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.365 -8.040 -1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -8.770 -11.164 -4.239 1.00 0.00 H new ATOM 0 HH TYR A 53 -10.693 -10.331 -3.760 1.00 0.00 H new ATOM 785 N ILE A 54 -3.028 -7.202 -1.060 1.00 0.00 N ATOM 786 CA ILE A 54 -1.882 -6.805 -0.261 1.00 0.00 C ATOM 787 C ILE A 54 -2.325 -6.588 1.187 1.00 0.00 C ATOM 788 O ILE A 54 -3.453 -6.165 1.438 1.00 0.00 O ATOM 789 CB ILE A 54 -1.190 -5.590 -0.882 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.214 -4.620 -1.475 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.144 -6.020 -1.912 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.552 -3.302 -1.880 1.00 0.00 C ATOM 0 H ILE A 54 -3.913 -6.786 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.133 -7.597 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.662 -5.057 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.689 -5.074 -2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.001 -4.427 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.332 -5.137 -2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.610 -6.641 -1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.628 -6.589 -2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.303 -2.631 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.099 -2.838 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.782 -3.496 -2.627 1.00 0.00 H new ATOM 804 N PRO A 55 -1.391 -6.894 2.127 1.00 0.00 N ATOM 805 CA PRO A 55 -1.674 -6.737 3.543 1.00 0.00 C ATOM 806 C PRO A 55 -1.646 -5.261 3.947 1.00 0.00 C ATOM 807 O PRO A 55 -1.130 -4.422 3.210 1.00 0.00 O ATOM 808 CB PRO A 55 -0.615 -7.567 4.251 1.00 0.00 C ATOM 809 CG PRO A 55 0.495 -7.779 3.235 1.00 0.00 C ATOM 810 CD PRO A 55 -0.045 -7.397 1.866 1.00 0.00 C ATOM 0 HA PRO A 55 -2.674 -7.078 3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.242 -7.051 5.136 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.025 -8.520 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.363 -7.170 3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.823 -8.819 3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.577 -6.637 1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.066 -8.255 1.195 1.00 0.00 H new ATOM 818 N ALA A 56 -2.207 -4.990 5.116 1.00 0.00 N ATOM 819 CA ALA A 56 -2.253 -3.631 5.627 1.00 0.00 C ATOM 820 C ALA A 56 -1.322 -3.513 6.836 1.00 0.00 C ATOM 821 O ALA A 56 -1.764 -3.635 7.978 1.00 0.00 O ATOM 822 CB ALA A 56 -3.698 -3.261 5.965 1.00 0.00 C ATOM 0 H ALA A 56 -2.634 -5.689 5.724 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.904 -2.926 4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.732 -2.241 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.311 -3.332 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.082 -3.946 6.721 1.00 0.00 H new ATOM 828 N ASN A 57 -0.052 -3.278 6.544 1.00 0.00 N ATOM 829 CA ASN A 57 0.945 -3.142 7.593 1.00 0.00 C ATOM 830 C ASN A 57 2.330 -3.004 6.959 1.00 0.00 C ATOM 831 O ASN A 57 3.159 -2.229 7.435 1.00 0.00 O ATOM 832 CB ASN A 57 0.961 -4.375 8.500 1.00 0.00 C ATOM 833 CG ASN A 57 1.326 -3.994 9.936 1.00 0.00 C ATOM 834 OD1 ASN A 57 0.492 -3.593 10.730 1.00 0.00 O ATOM 835 ND2 ASN A 57 2.616 -4.141 10.223 1.00 0.00 N ATOM 0 H ASN A 57 0.310 -3.178 5.596 1.00 0.00 H new ATOM 0 HA ASN A 57 0.695 -2.262 8.185 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.018 -4.855 8.485 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.678 -5.102 8.119 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.960 -3.913 11.156 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.261 -4.482 9.510 1.00 0.00 H new ATOM 842 N HIS A 58 2.539 -3.766 5.896 1.00 0.00 N ATOM 843 CA HIS A 58 3.810 -3.738 5.192 1.00 0.00 C ATOM 844 C HIS A 58 3.960 -2.404 4.457 1.00 0.00 C ATOM 845 O HIS A 58 5.070 -1.894 4.309 1.00 0.00 O ATOM 846 CB HIS A 58 3.943 -4.945 4.262 1.00 0.00 C ATOM 847 CG HIS A 58 4.845 -6.034 4.794 1.00 0.00 C ATOM 848 ND1 HIS A 58 6.217 -6.024 4.615 1.00 0.00 N ATOM 849 CD2 HIS A 58 4.556 -7.163 5.502 1.00 0.00 C ATOM 850 CE1 HIS A 58 6.721 -7.105 5.193 1.00 0.00 C ATOM 851 NE2 HIS A 58 5.690 -7.810 5.741 1.00 0.00 N ATOM 0 H HIS A 58 1.849 -4.407 5.505 1.00 0.00 H new ATOM 0 HA HIS A 58 4.628 -3.813 5.908 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.953 -5.363 4.082 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.326 -4.608 3.299 1.00 0.00 H new ATOM 0 HD1 HIS A 58 6.750 -5.307 4.122 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.571 -7.477 5.815 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.765 -7.379 5.225 1.00 0.00 H new ATOM 859 N VAL A 59 2.827 -1.877 4.017 1.00 0.00 N ATOM 860 CA VAL A 59 2.819 -0.613 3.301 1.00 0.00 C ATOM 861 C VAL A 59 2.301 0.489 4.227 1.00 0.00 C ATOM 862 O VAL A 59 1.601 0.210 5.200 1.00 0.00 O ATOM 863 CB VAL A 59 2.002 -0.745 2.014 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.695 -1.676 1.018 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.580 -1.224 2.314 1.00 0.00 C ATOM 0 H VAL A 59 1.908 -2.302 4.142 1.00 0.00 H new ATOM 0 HA VAL A 59 3.830 -0.338 3.001 1.00 0.00 H new ATOM 0 HB VAL A 59 1.934 0.243 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.094 -1.752 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.678 -1.275 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.809 -2.665 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.021 -1.309 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.620 -2.197 2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.085 -0.507 2.970 1.00 0.00 H new ATOM 875 N GLY A 60 2.664 1.719 3.893 1.00 0.00 N ATOM 876 CA GLY A 60 2.245 2.864 4.683 1.00 0.00 C ATOM 877 C GLY A 60 2.326 2.557 6.180 1.00 0.00 C ATOM 878 O GLY A 60 3.393 2.222 6.691 1.00 0.00 O ATOM 0 H GLY A 60 3.244 1.947 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.876 3.722 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.224 3.138 4.419 1.00 0.00 H new ATOM 882 N LYS A 61 1.184 2.683 6.840 1.00 0.00 N ATOM 883 CA LYS A 61 1.112 2.423 8.267 1.00 0.00 C ATOM 884 C LYS A 61 2.206 3.220 8.982 1.00 0.00 C ATOM 885 O LYS A 61 3.159 2.644 9.503 1.00 0.00 O ATOM 886 CB LYS A 61 1.169 0.919 8.542 1.00 0.00 C ATOM 887 CG LYS A 61 0.338 0.555 9.774 1.00 0.00 C ATOM 888 CD LYS A 61 -1.081 0.145 9.376 1.00 0.00 C ATOM 889 CE LYS A 61 -1.717 -0.741 10.449 1.00 0.00 C ATOM 890 NZ LYS A 61 -3.132 -1.022 10.119 1.00 0.00 N ATOM 0 H LYS A 61 0.301 2.962 6.412 1.00 0.00 H new ATOM 0 HA LYS A 61 0.156 2.761 8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.798 0.373 7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.204 0.612 8.693 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.819 -0.261 10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.297 1.406 10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.692 1.035 9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.056 -0.389 8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.164 -1.677 10.531 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.655 -0.248 11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.548 -1.624 10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.660 -0.128 10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.184 -1.512 9.203 1.00 0.00 H new ATOM 904 N HIS A 62 2.031 4.534 8.983 1.00 0.00 N ATOM 905 CA HIS A 62 2.991 5.416 9.625 1.00 0.00 C ATOM 906 C HIS A 62 4.327 5.346 8.883 1.00 0.00 C ATOM 907 O HIS A 62 5.241 4.640 9.307 1.00 0.00 O ATOM 908 CB HIS A 62 3.121 5.086 11.113 1.00 0.00 C ATOM 909 CG HIS A 62 2.931 6.275 12.025 1.00 0.00 C ATOM 910 ND1 HIS A 62 1.689 6.673 12.488 1.00 0.00 N ATOM 911 CD2 HIS A 62 3.837 7.147 12.553 1.00 0.00 C ATOM 912 CE1 HIS A 62 1.853 7.738 13.260 1.00 0.00 C ATOM 913 NE2 HIS A 62 3.185 8.030 13.298 1.00 0.00 N ATOM 0 H HIS A 62 1.239 5.009 8.550 1.00 0.00 H new ATOM 0 HA HIS A 62 2.638 6.446 9.571 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.387 4.322 11.371 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.106 4.656 11.294 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.905 7.123 12.392 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.070 8.279 13.769 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.610 8.800 13.814 1.00 0.00 H new ATOM 921 N SER A 63 4.400 6.090 7.789 1.00 0.00 N ATOM 922 CA SER A 63 5.609 6.122 6.984 1.00 0.00 C ATOM 923 C SER A 63 6.718 6.862 7.735 1.00 0.00 C ATOM 924 O SER A 63 6.791 8.089 7.689 1.00 0.00 O ATOM 925 CB SER A 63 5.352 6.783 5.629 1.00 0.00 C ATOM 926 OG SER A 63 4.189 6.261 4.992 1.00 0.00 O ATOM 0 H SER A 63 3.641 6.676 7.441 1.00 0.00 H new ATOM 0 HA SER A 63 5.926 5.095 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.238 7.858 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.217 6.634 4.983 1.00 0.00 H new ATOM 0 HG SER A 63 4.058 6.710 4.131 1.00 0.00 H new ATOM 932 N GLY A 64 7.553 6.086 8.409 1.00 0.00 N ATOM 933 CA GLY A 64 8.654 6.653 9.169 1.00 0.00 C ATOM 934 C GLY A 64 9.806 7.056 8.246 1.00 0.00 C ATOM 935 O GLY A 64 10.439 6.202 7.627 1.00 0.00 O ATOM 0 H GLY A 64 7.489 5.069 8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.307 7.524 9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.007 5.927 9.902 1.00 0.00 H new ATOM 939 N PRO A 65 10.050 8.393 8.182 1.00 0.00 N ATOM 940 CA PRO A 65 11.114 8.920 7.345 1.00 0.00 C ATOM 941 C PRO A 65 12.485 8.665 7.976 1.00 0.00 C ATOM 942 O PRO A 65 13.112 9.585 8.499 1.00 0.00 O ATOM 943 CB PRO A 65 10.797 10.398 7.190 1.00 0.00 C ATOM 944 CG PRO A 65 9.836 10.739 8.317 1.00 0.00 C ATOM 945 CD PRO A 65 9.321 9.434 8.901 1.00 0.00 C ATOM 0 HA PRO A 65 11.164 8.433 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.703 11.000 7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.347 10.601 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 65 10.340 11.328 9.084 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.009 11.343 7.944 1.00 0.00 H new ATOM 0 HD2 PRO A 65 9.507 9.379 9.974 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.245 9.334 8.759 1.00 0.00 H new ATOM 953 N SER A 66 12.909 7.412 7.907 1.00 0.00 N ATOM 954 CA SER A 66 14.194 7.025 8.465 1.00 0.00 C ATOM 955 C SER A 66 14.885 6.021 7.540 1.00 0.00 C ATOM 956 O SER A 66 14.231 5.362 6.734 1.00 0.00 O ATOM 957 CB SER A 66 14.029 6.430 9.865 1.00 0.00 C ATOM 958 OG SER A 66 13.394 7.339 10.760 1.00 0.00 O ATOM 0 H SER A 66 12.386 6.651 7.473 1.00 0.00 H new ATOM 0 HA SER A 66 14.814 7.918 8.549 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.442 5.513 9.803 1.00 0.00 H new ATOM 0 HB3 SER A 66 15.007 6.156 10.260 1.00 0.00 H new ATOM 0 HG SER A 66 13.306 6.921 11.642 1.00 0.00 H new ATOM 964 N SER A 67 16.199 5.938 7.687 1.00 0.00 N ATOM 965 CA SER A 67 16.986 5.026 6.874 1.00 0.00 C ATOM 966 C SER A 67 16.891 5.423 5.400 1.00 0.00 C ATOM 967 O SER A 67 15.846 5.884 4.944 1.00 0.00 O ATOM 968 CB SER A 67 16.524 3.580 7.065 1.00 0.00 C ATOM 969 OG SER A 67 16.677 3.144 8.413 1.00 0.00 O ATOM 0 H SER A 67 16.738 6.487 8.356 1.00 0.00 H new ATOM 0 HA SER A 67 18.026 5.093 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.478 3.492 6.772 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.096 2.927 6.406 1.00 0.00 H new ATOM 0 HG SER A 67 16.370 2.217 8.494 1.00 0.00 H new ATOM 975 N GLY A 68 17.997 5.231 4.696 1.00 0.00 N ATOM 976 CA GLY A 68 18.052 5.564 3.283 1.00 0.00 C ATOM 977 C GLY A 68 19.447 6.050 2.887 1.00 0.00 C ATOM 978 O GLY A 68 20.431 5.735 3.556 1.00 0.00 O ATOM 0 H GLY A 68 18.862 4.849 5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.786 4.690 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.317 6.337 3.059 1.00 0.00 H new TER 982 GLY A 68