USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 310 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.14) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.78) USER MOD Single : A 12 ASN : amide:sc= -0.0624 X(o=-0.062,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00849 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.132 F(o=-0.79,f=-0.13) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.0804 F(o=-1.7!,f=-0.08) USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0278) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.893 9.131 1.429 1.00 0.00 N ATOM 2 CA MET A 1 -1.151 7.894 2.156 1.00 0.00 C ATOM 3 C MET A 1 -0.599 6.691 1.396 1.00 0.00 C ATOM 4 O MET A 1 -0.064 5.759 1.997 1.00 0.00 O ATOM 5 CB MET A 1 -2.653 7.718 2.389 1.00 0.00 C ATOM 6 CG MET A 1 -3.062 7.861 3.846 1.00 0.00 C ATOM 7 SD MET A 1 -4.829 7.604 4.100 1.00 0.00 S ATOM 8 CE MET A 1 -4.827 5.991 4.878 1.00 0.00 C ATOM 0 H1 MET A 1 -1.106 9.944 2.041 1.00 0.00 H new ATOM 0 H2 MET A 1 0.107 9.164 1.144 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.496 9.168 0.582 1.00 0.00 H new ATOM 0 HA MET A 1 -0.645 7.956 3.120 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.194 8.454 1.794 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.955 6.734 2.030 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.504 7.144 4.448 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.789 8.855 4.200 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.852 5.692 5.098 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.373 5.263 4.206 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.255 6.035 5.805 1.00 0.00 H new ATOM 18 N ILE A 2 -0.733 6.720 0.075 1.00 0.00 N ATOM 19 CA ILE A 2 -0.246 5.633 -0.765 1.00 0.00 C ATOM 20 C ILE A 2 1.245 5.397 -0.550 1.00 0.00 C ATOM 21 O ILE A 2 1.744 4.288 -0.746 1.00 0.00 O ATOM 22 CB ILE A 2 -0.499 5.918 -2.257 1.00 0.00 C ATOM 23 CG1 ILE A 2 -0.119 4.701 -3.103 1.00 0.00 C ATOM 24 CG2 ILE A 2 0.283 7.144 -2.703 1.00 0.00 C ATOM 25 CD1 ILE A 2 -0.988 3.490 -2.845 1.00 0.00 C ATOM 0 H ILE A 2 -1.175 7.484 -0.437 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.798 4.739 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.561 6.118 -2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.185 4.967 -4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.921 4.441 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.093 7.332 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.032 8.009 -2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.348 6.971 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.661 2.666 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.904 3.198 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.026 3.732 -3.071 1.00 0.00 H new ATOM 37 N THR A 3 1.952 6.446 -0.144 1.00 0.00 N ATOM 38 CA THR A 3 3.386 6.354 0.099 1.00 0.00 C ATOM 39 C THR A 3 3.684 6.223 1.588 1.00 0.00 C ATOM 40 O THR A 3 4.696 6.728 2.075 1.00 0.00 O ATOM 41 CB THR A 3 4.130 7.583 -0.456 1.00 0.00 C ATOM 42 OG1 THR A 3 3.584 8.782 0.107 1.00 0.00 O ATOM 43 CG2 THR A 3 4.030 7.638 -1.973 1.00 0.00 C ATOM 0 H THR A 3 1.555 7.370 0.024 1.00 0.00 H new ATOM 0 HA THR A 3 3.738 5.462 -0.419 1.00 0.00 H new ATOM 0 HB THR A 3 5.181 7.498 -0.180 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.064 9.559 -0.250 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.563 8.515 -2.341 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.473 6.738 -2.400 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.982 7.701 -2.267 1.00 0.00 H new ATOM 51 N ASP A 4 2.798 5.542 2.306 1.00 0.00 N ATOM 52 CA ASP A 4 2.968 5.343 3.741 1.00 0.00 C ATOM 53 C ASP A 4 3.524 3.953 4.035 1.00 0.00 C ATOM 54 O ASP A 4 3.251 3.373 5.086 1.00 0.00 O ATOM 55 CB ASP A 4 1.634 5.536 4.465 1.00 0.00 C ATOM 56 CG ASP A 4 1.810 5.736 5.958 1.00 0.00 C ATOM 57 OD1 ASP A 4 2.489 6.707 6.351 1.00 0.00 O ATOM 58 OD2 ASP A 4 1.267 4.921 6.733 1.00 0.00 O ATOM 0 H ASP A 4 1.955 5.118 1.918 1.00 0.00 H new ATOM 0 HA ASP A 4 3.681 6.084 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.117 6.398 4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.000 4.667 4.290 1.00 0.00 H new ATOM 63 N VAL A 5 4.305 3.424 3.098 1.00 0.00 N ATOM 64 CA VAL A 5 4.899 2.102 3.256 1.00 0.00 C ATOM 65 C VAL A 5 6.058 2.136 4.246 1.00 0.00 C ATOM 66 O VAL A 5 6.505 1.095 4.729 1.00 0.00 O ATOM 67 CB VAL A 5 5.404 1.549 1.910 1.00 0.00 C ATOM 68 CG1 VAL A 5 6.522 2.421 1.360 1.00 0.00 C ATOM 69 CG2 VAL A 5 5.869 0.109 2.067 1.00 0.00 C ATOM 0 H VAL A 5 4.541 3.891 2.222 1.00 0.00 H new ATOM 0 HA VAL A 5 4.117 1.447 3.639 1.00 0.00 H new ATOM 0 HB VAL A 5 4.579 1.565 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.866 2.015 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.152 3.435 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.351 2.439 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.222 -0.266 1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.680 0.066 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.038 -0.506 2.413 1.00 0.00 H new ATOM 79 N GLN A 6 6.540 3.338 4.544 1.00 0.00 N ATOM 80 CA GLN A 6 7.648 3.507 5.477 1.00 0.00 C ATOM 81 C GLN A 6 7.257 3.043 6.876 1.00 0.00 C ATOM 82 O GLN A 6 8.021 2.347 7.547 1.00 0.00 O ATOM 83 CB GLN A 6 8.090 4.971 5.517 1.00 0.00 C ATOM 84 CG GLN A 6 8.175 5.619 4.145 1.00 0.00 C ATOM 85 CD GLN A 6 8.983 4.797 3.160 1.00 0.00 C ATOM 86 OE1 GLN A 6 9.936 4.114 3.539 1.00 0.00 O ATOM 87 NE2 GLN A 6 8.606 4.857 1.888 1.00 0.00 N ATOM 0 H GLN A 6 6.181 4.209 4.153 1.00 0.00 H new ATOM 0 HA GLN A 6 8.479 2.893 5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.391 5.536 6.134 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.065 5.034 6.000 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.168 5.763 3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.624 6.608 4.242 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.811 5.436 1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.112 4.324 1.180 1.00 0.00 H new ATOM 96 N LEU A 7 6.064 3.432 7.311 1.00 0.00 N ATOM 97 CA LEU A 7 5.571 3.056 8.632 1.00 0.00 C ATOM 98 C LEU A 7 5.602 1.542 8.814 1.00 0.00 C ATOM 99 O LEU A 7 5.820 1.044 9.918 1.00 0.00 O ATOM 100 CB LEU A 7 4.146 3.577 8.833 1.00 0.00 C ATOM 101 CG LEU A 7 3.402 3.039 10.056 1.00 0.00 C ATOM 102 CD1 LEU A 7 3.037 4.175 11.000 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.157 2.276 9.630 1.00 0.00 C ATOM 0 H LEU A 7 5.420 4.008 6.769 1.00 0.00 H new ATOM 0 HA LEU A 7 6.225 3.506 9.379 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.185 4.664 8.905 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.564 3.337 7.943 1.00 0.00 H new ATOM 0 HG LEU A 7 4.061 2.351 10.585 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.508 3.774 11.865 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.945 4.679 11.332 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.396 4.888 10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.640 1.900 10.513 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.494 2.941 9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.443 1.439 8.994 1.00 0.00 H new ATOM 115 N ALA A 8 5.384 0.815 7.723 1.00 0.00 N ATOM 116 CA ALA A 8 5.391 -0.642 7.761 1.00 0.00 C ATOM 117 C ALA A 8 6.660 -1.167 8.424 1.00 0.00 C ATOM 118 O ALA A 8 6.630 -2.175 9.131 1.00 0.00 O ATOM 119 CB ALA A 8 5.255 -1.207 6.355 1.00 0.00 C ATOM 0 H ALA A 8 5.200 1.212 6.801 1.00 0.00 H new ATOM 0 HA ALA A 8 4.539 -0.970 8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.262 -2.296 6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.317 -0.867 5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.088 -0.863 5.742 1.00 0.00 H new ATOM 125 N ILE A 9 7.772 -0.479 8.191 1.00 0.00 N ATOM 126 CA ILE A 9 9.051 -0.877 8.767 1.00 0.00 C ATOM 127 C ILE A 9 9.045 -0.716 10.283 1.00 0.00 C ATOM 128 O ILE A 9 9.729 -1.448 10.999 1.00 0.00 O ATOM 129 CB ILE A 9 10.213 -0.054 8.180 1.00 0.00 C ATOM 130 CG1 ILE A 9 10.219 -0.158 6.653 1.00 0.00 C ATOM 131 CG2 ILE A 9 11.540 -0.528 8.753 1.00 0.00 C ATOM 132 CD1 ILE A 9 11.196 0.786 5.988 1.00 0.00 C ATOM 0 H ILE A 9 7.814 0.357 7.608 1.00 0.00 H new ATOM 0 HA ILE A 9 9.197 -1.928 8.516 1.00 0.00 H new ATOM 0 HB ILE A 9 10.074 0.992 8.454 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.463 -1.181 6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.216 0.047 6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.351 0.063 8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.532 -0.408 9.836 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.689 -1.579 8.505 1.00 0.00 H new ATOM 0 HD11 ILE A 9 11.147 0.658 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.940 1.814 6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 9 12.206 0.567 6.334 1.00 0.00 H new ATOM 144 N PHE A 10 8.266 0.246 10.768 1.00 0.00 N ATOM 145 CA PHE A 10 8.169 0.502 12.200 1.00 0.00 C ATOM 146 C PHE A 10 7.187 -0.461 12.860 1.00 0.00 C ATOM 147 O PHE A 10 7.325 -0.795 14.037 1.00 0.00 O ATOM 148 CB PHE A 10 7.732 1.947 12.453 1.00 0.00 C ATOM 149 CG PHE A 10 7.906 2.385 13.879 1.00 0.00 C ATOM 150 CD1 PHE A 10 9.118 2.212 14.528 1.00 0.00 C ATOM 151 CD2 PHE A 10 6.858 2.970 14.570 1.00 0.00 C ATOM 152 CE1 PHE A 10 9.281 2.614 15.840 1.00 0.00 C ATOM 153 CE2 PHE A 10 7.015 3.375 15.882 1.00 0.00 C ATOM 154 CZ PHE A 10 8.228 3.196 16.518 1.00 0.00 C ATOM 0 H PHE A 10 7.693 0.861 10.190 1.00 0.00 H new ATOM 0 HA PHE A 10 9.154 0.345 12.639 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.305 2.610 11.805 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.684 2.056 12.173 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.945 1.758 14.002 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.907 3.111 14.078 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.231 2.473 16.335 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.190 3.831 16.409 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.353 3.511 17.544 1.00 0.00 H new ATOM 164 N ALA A 11 6.195 -0.903 12.094 1.00 0.00 N ATOM 165 CA ALA A 11 5.191 -1.829 12.603 1.00 0.00 C ATOM 166 C ALA A 11 5.693 -3.267 12.550 1.00 0.00 C ATOM 167 O ALA A 11 5.488 -4.041 13.484 1.00 0.00 O ATOM 168 CB ALA A 11 3.897 -1.690 11.814 1.00 0.00 C ATOM 0 H ALA A 11 6.065 -0.635 11.119 1.00 0.00 H new ATOM 0 HA ALA A 11 4.997 -1.578 13.646 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.156 -2.387 12.205 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.521 -0.671 11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.086 -1.912 10.764 1.00 0.00 H new ATOM 174 N ASN A 12 6.351 -3.620 11.450 1.00 0.00 N ATOM 175 CA ASN A 12 6.882 -4.967 11.275 1.00 0.00 C ATOM 176 C ASN A 12 7.965 -5.263 12.308 1.00 0.00 C ATOM 177 O ASN A 12 8.072 -6.383 12.806 1.00 0.00 O ATOM 178 CB ASN A 12 7.447 -5.135 9.864 1.00 0.00 C ATOM 179 CG ASN A 12 7.130 -6.495 9.273 1.00 0.00 C ATOM 180 OD1 ASN A 12 8.030 -7.284 8.984 1.00 0.00 O ATOM 181 ND2 ASN A 12 5.845 -6.776 9.089 1.00 0.00 N ATOM 0 H ASN A 12 6.529 -2.992 10.667 1.00 0.00 H new ATOM 0 HA ASN A 12 6.065 -5.675 11.418 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.040 -4.357 9.218 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.528 -4.996 9.889 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.571 -7.676 8.694 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.132 -6.092 9.343 1.00 0.00 H new ATOM 188 N MET A 13 8.765 -4.251 12.625 1.00 0.00 N ATOM 189 CA MET A 13 9.839 -4.403 13.600 1.00 0.00 C ATOM 190 C MET A 13 9.279 -4.505 15.015 1.00 0.00 C ATOM 191 O MET A 13 9.822 -5.218 15.859 1.00 0.00 O ATOM 192 CB MET A 13 10.811 -3.225 13.508 1.00 0.00 C ATOM 193 CG MET A 13 11.615 -2.999 14.778 1.00 0.00 C ATOM 194 SD MET A 13 12.852 -1.700 14.596 1.00 0.00 S ATOM 195 CE MET A 13 11.886 -0.251 15.014 1.00 0.00 C ATOM 0 H MET A 13 8.690 -3.317 12.221 1.00 0.00 H new ATOM 0 HA MET A 13 10.374 -5.325 13.373 1.00 0.00 H new ATOM 0 HB2 MET A 13 11.498 -3.395 12.679 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.250 -2.319 13.277 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.937 -2.738 15.591 1.00 0.00 H new ATOM 0 HG3 MET A 13 12.109 -3.929 15.061 1.00 0.00 H new ATOM 0 HE1 MET A 13 12.515 0.637 14.947 1.00 0.00 H new ATOM 0 HE2 MET A 13 11.051 -0.158 14.320 1.00 0.00 H new ATOM 0 HE3 MET A 13 11.504 -0.349 16.030 1.00 0.00 H new ATOM 205 N LEU A 14 8.189 -3.788 15.268 1.00 0.00 N ATOM 206 CA LEU A 14 7.555 -3.797 16.581 1.00 0.00 C ATOM 207 C LEU A 14 7.080 -5.200 16.947 1.00 0.00 C ATOM 208 O LEU A 14 6.826 -5.497 18.113 1.00 0.00 O ATOM 209 CB LEU A 14 6.374 -2.825 16.607 1.00 0.00 C ATOM 210 CG LEU A 14 6.197 -2.018 17.893 1.00 0.00 C ATOM 211 CD1 LEU A 14 7.156 -0.838 17.920 1.00 0.00 C ATOM 212 CD2 LEU A 14 4.759 -1.541 18.030 1.00 0.00 C ATOM 0 H LEU A 14 7.726 -3.193 14.581 1.00 0.00 H new ATOM 0 HA LEU A 14 8.295 -3.480 17.316 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.485 -2.128 15.777 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.460 -3.391 16.428 1.00 0.00 H new ATOM 0 HG LEU A 14 6.426 -2.666 18.739 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.015 -0.276 18.843 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.182 -1.202 17.870 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.959 -0.189 17.066 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.652 -0.968 18.951 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.502 -0.910 17.179 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.091 -2.402 18.058 1.00 0.00 H new ATOM 224 N GLY A 15 6.966 -6.062 15.940 1.00 0.00 N ATOM 225 CA GLY A 15 6.524 -7.424 16.176 1.00 0.00 C ATOM 226 C GLY A 15 7.630 -8.438 15.958 1.00 0.00 C ATOM 227 O GLY A 15 7.724 -9.430 16.680 1.00 0.00 O ATOM 0 H GLY A 15 7.172 -5.841 14.966 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.152 -7.510 17.197 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.690 -7.652 15.512 1.00 0.00 H new ATOM 231 N VAL A 16 8.469 -8.190 14.957 1.00 0.00 N ATOM 232 CA VAL A 16 9.574 -9.089 14.645 1.00 0.00 C ATOM 233 C VAL A 16 10.397 -9.401 15.889 1.00 0.00 C ATOM 234 O VAL A 16 11.038 -10.448 15.976 1.00 0.00 O ATOM 235 CB VAL A 16 10.498 -8.490 13.568 1.00 0.00 C ATOM 236 CG1 VAL A 16 11.838 -9.209 13.554 1.00 0.00 C ATOM 237 CG2 VAL A 16 9.834 -8.556 12.201 1.00 0.00 C ATOM 0 H VAL A 16 8.404 -7.374 14.348 1.00 0.00 H new ATOM 0 HA VAL A 16 9.134 -10.011 14.264 1.00 0.00 H new ATOM 0 HB VAL A 16 10.678 -7.442 13.810 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.477 -8.772 12.787 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.317 -9.105 14.528 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.682 -10.266 13.337 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.500 -8.129 11.452 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.623 -9.595 11.949 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.902 -7.991 12.222 1.00 0.00 H new ATOM 247 N SER A 17 10.375 -8.484 16.852 1.00 0.00 N ATOM 248 CA SER A 17 11.122 -8.660 18.092 1.00 0.00 C ATOM 249 C SER A 17 10.528 -9.787 18.930 1.00 0.00 C ATOM 250 O SER A 17 11.229 -10.720 19.324 1.00 0.00 O ATOM 251 CB SER A 17 11.127 -7.359 18.897 1.00 0.00 C ATOM 252 OG SER A 17 11.231 -6.232 18.045 1.00 0.00 O ATOM 0 H SER A 17 9.848 -7.612 16.797 1.00 0.00 H new ATOM 0 HA SER A 17 12.148 -8.925 17.835 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.213 -7.289 19.487 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.960 -7.366 19.600 1.00 0.00 H new ATOM 0 HG SER A 17 11.230 -5.413 18.584 1.00 0.00 H new ATOM 258 N LEU A 18 9.230 -9.696 19.198 1.00 0.00 N ATOM 259 CA LEU A 18 8.538 -10.708 19.989 1.00 0.00 C ATOM 260 C LEU A 18 8.334 -11.985 19.180 1.00 0.00 C ATOM 261 O LEU A 18 8.000 -13.034 19.731 1.00 0.00 O ATOM 262 CB LEU A 18 7.188 -10.173 20.470 1.00 0.00 C ATOM 263 CG LEU A 18 7.150 -8.693 20.852 1.00 0.00 C ATOM 264 CD1 LEU A 18 5.768 -8.308 21.357 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.208 -8.385 21.901 1.00 0.00 C ATOM 0 H LEU A 18 8.635 -8.931 18.879 1.00 0.00 H new ATOM 0 HA LEU A 18 9.157 -10.943 20.855 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.451 -10.344 19.685 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.875 -10.759 21.334 1.00 0.00 H new ATOM 0 HG LEU A 18 7.367 -8.102 19.962 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.760 -7.251 21.624 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.031 -8.490 20.575 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.522 -8.906 22.234 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.166 -7.327 22.160 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.022 -8.985 22.792 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.195 -8.622 21.503 1.00 0.00 H new ATOM 277 N PHE A 19 8.538 -11.889 17.871 1.00 0.00 N ATOM 278 CA PHE A 19 8.377 -13.037 16.986 1.00 0.00 C ATOM 279 C PHE A 19 9.690 -13.802 16.843 1.00 0.00 C ATOM 280 O PHE A 19 9.800 -14.954 17.266 1.00 0.00 O ATOM 281 CB PHE A 19 7.886 -12.582 15.610 1.00 0.00 C ATOM 282 CG PHE A 19 7.611 -13.718 14.666 1.00 0.00 C ATOM 283 CD1 PHE A 19 7.179 -14.944 15.145 1.00 0.00 C ATOM 284 CD2 PHE A 19 7.783 -13.559 13.301 1.00 0.00 C ATOM 285 CE1 PHE A 19 6.926 -15.991 14.279 1.00 0.00 C ATOM 286 CE2 PHE A 19 7.531 -14.602 12.429 1.00 0.00 C ATOM 287 CZ PHE A 19 7.101 -15.820 12.919 1.00 0.00 C ATOM 0 H PHE A 19 8.815 -11.028 17.399 1.00 0.00 H new ATOM 0 HA PHE A 19 7.635 -13.703 17.427 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.976 -11.994 15.734 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.633 -11.924 15.166 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.038 -15.083 16.207 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.118 -12.609 12.913 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.592 -16.943 14.665 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.670 -14.465 11.367 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.902 -16.637 12.241 1.00 0.00 H new ATOM 297 N LEU A 20 10.683 -13.154 16.244 1.00 0.00 N ATOM 298 CA LEU A 20 11.989 -13.771 16.044 1.00 0.00 C ATOM 299 C LEU A 20 12.529 -14.340 17.353 1.00 0.00 C ATOM 300 O LEU A 20 13.183 -15.383 17.366 1.00 0.00 O ATOM 301 CB LEU A 20 12.975 -12.752 15.473 1.00 0.00 C ATOM 302 CG LEU A 20 14.458 -13.095 15.623 1.00 0.00 C ATOM 303 CD1 LEU A 20 15.240 -12.627 14.405 1.00 0.00 C ATOM 304 CD2 LEU A 20 15.023 -12.474 16.892 1.00 0.00 C ATOM 0 H LEU A 20 10.608 -12.201 15.888 1.00 0.00 H new ATOM 0 HA LEU A 20 11.871 -14.590 15.334 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.758 -12.622 14.413 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.794 -11.792 15.956 1.00 0.00 H new ATOM 0 HG LEU A 20 14.555 -14.178 15.698 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.293 -12.880 14.530 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.852 -13.118 13.513 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.136 -11.547 14.299 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.079 -12.728 16.983 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.913 -11.390 16.847 1.00 0.00 H new ATOM 0 HD23 LEU A 20 14.482 -12.858 17.757 1.00 0.00 H new ATOM 316 N LEU A 21 12.249 -13.648 18.452 1.00 0.00 N ATOM 317 CA LEU A 21 12.704 -14.085 19.767 1.00 0.00 C ATOM 318 C LEU A 21 12.104 -15.439 20.129 1.00 0.00 C ATOM 319 O LEU A 21 12.812 -16.348 20.563 1.00 0.00 O ATOM 320 CB LEU A 21 12.330 -13.048 20.828 1.00 0.00 C ATOM 321 CG LEU A 21 13.298 -11.876 20.992 1.00 0.00 C ATOM 322 CD1 LEU A 21 12.726 -10.841 21.948 1.00 0.00 C ATOM 323 CD2 LEU A 21 14.653 -12.367 21.482 1.00 0.00 C ATOM 0 H LEU A 21 11.709 -12.782 18.458 1.00 0.00 H new ATOM 0 HA LEU A 21 13.789 -14.187 19.734 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.345 -12.649 20.586 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.240 -13.556 21.788 1.00 0.00 H new ATOM 0 HG LEU A 21 13.436 -11.405 20.019 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.429 -10.014 22.052 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.781 -10.466 21.555 1.00 0.00 H new ATOM 0 HD13 LEU A 21 12.558 -11.299 22.923 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.329 -11.519 21.593 1.00 0.00 H new ATOM 0 HD22 LEU A 21 14.533 -12.864 22.445 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.068 -13.070 20.760 1.00 0.00 H new ATOM 335 N VAL A 22 10.793 -15.568 19.947 1.00 0.00 N ATOM 336 CA VAL A 22 10.097 -16.812 20.251 1.00 0.00 C ATOM 337 C VAL A 22 10.514 -17.923 19.294 1.00 0.00 C ATOM 338 O VAL A 22 10.798 -19.045 19.714 1.00 0.00 O ATOM 339 CB VAL A 22 8.569 -16.633 20.177 1.00 0.00 C ATOM 340 CG1 VAL A 22 7.863 -17.950 20.462 1.00 0.00 C ATOM 341 CG2 VAL A 22 8.112 -15.554 21.147 1.00 0.00 C ATOM 0 H VAL A 22 10.192 -14.825 19.590 1.00 0.00 H new ATOM 0 HA VAL A 22 10.374 -17.089 21.268 1.00 0.00 H new ATOM 0 HB VAL A 22 8.306 -16.318 19.167 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.784 -17.804 20.405 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.168 -18.693 19.725 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.130 -18.298 21.460 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.030 -15.441 21.082 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.386 -15.838 22.163 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.592 -14.609 20.892 1.00 0.00 H new ATOM 351 N VAL A 23 10.550 -17.603 18.004 1.00 0.00 N ATOM 352 CA VAL A 23 10.934 -18.574 16.986 1.00 0.00 C ATOM 353 C VAL A 23 12.304 -19.172 17.286 1.00 0.00 C ATOM 354 O VAL A 23 12.470 -20.392 17.308 1.00 0.00 O ATOM 355 CB VAL A 23 10.960 -17.936 15.584 1.00 0.00 C ATOM 356 CG1 VAL A 23 11.185 -18.998 14.519 1.00 0.00 C ATOM 357 CG2 VAL A 23 9.672 -17.171 15.323 1.00 0.00 C ATOM 0 H VAL A 23 10.318 -16.679 17.639 1.00 0.00 H new ATOM 0 HA VAL A 23 10.184 -19.365 17.003 1.00 0.00 H new ATOM 0 HB VAL A 23 11.789 -17.230 15.540 1.00 0.00 H new ATOM 0 HG11 VAL A 23 11.200 -18.529 13.535 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.137 -19.497 14.698 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.379 -19.730 14.559 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.708 -16.727 14.328 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.824 -17.853 15.385 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.559 -16.383 16.068 1.00 0.00 H new ATOM 367 N LEU A 24 13.284 -18.305 17.517 1.00 0.00 N ATOM 368 CA LEU A 24 14.641 -18.747 17.817 1.00 0.00 C ATOM 369 C LEU A 24 14.704 -19.425 19.182 1.00 0.00 C ATOM 370 O LEU A 24 15.588 -20.242 19.441 1.00 0.00 O ATOM 371 CB LEU A 24 15.605 -17.560 17.780 1.00 0.00 C ATOM 372 CG LEU A 24 16.803 -17.697 16.839 1.00 0.00 C ATOM 373 CD1 LEU A 24 16.746 -16.641 15.746 1.00 0.00 C ATOM 374 CD2 LEU A 24 18.107 -17.592 17.616 1.00 0.00 C ATOM 0 H LEU A 24 13.164 -17.292 17.502 1.00 0.00 H new ATOM 0 HA LEU A 24 14.937 -19.471 17.058 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.044 -16.671 17.494 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.979 -17.390 18.790 1.00 0.00 H new ATOM 0 HG LEU A 24 16.761 -18.680 16.370 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.606 -16.754 15.086 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.828 -16.762 15.170 1.00 0.00 H new ATOM 0 HD13 LEU A 24 16.763 -15.649 16.197 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.948 -17.692 16.930 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.157 -16.623 18.113 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.151 -18.386 18.362 1.00 0.00 H new ATOM 386 N TYR A 25 13.760 -19.082 20.051 1.00 0.00 N ATOM 387 CA TYR A 25 13.708 -19.657 21.390 1.00 0.00 C ATOM 388 C TYR A 25 13.254 -21.113 21.341 1.00 0.00 C ATOM 389 O TYR A 25 13.878 -21.990 21.938 1.00 0.00 O ATOM 390 CB TYR A 25 12.764 -18.846 22.280 1.00 0.00 C ATOM 391 CG TYR A 25 12.704 -19.341 23.707 1.00 0.00 C ATOM 392 CD1 TYR A 25 13.832 -19.859 24.332 1.00 0.00 C ATOM 393 CD2 TYR A 25 11.519 -19.291 24.432 1.00 0.00 C ATOM 394 CE1 TYR A 25 13.782 -20.313 25.636 1.00 0.00 C ATOM 395 CE2 TYR A 25 11.460 -19.740 25.736 1.00 0.00 C ATOM 396 CZ TYR A 25 12.594 -20.251 26.334 1.00 0.00 C ATOM 397 OH TYR A 25 12.539 -20.701 27.633 1.00 0.00 O ATOM 0 H TYR A 25 13.020 -18.409 19.852 1.00 0.00 H new ATOM 0 HA TYR A 25 14.713 -19.623 21.811 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.083 -17.804 22.279 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.762 -18.873 21.852 1.00 0.00 H new ATOM 0 HD1 TYR A 25 14.764 -19.908 23.789 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.629 -18.894 23.967 1.00 0.00 H new ATOM 0 HE1 TYR A 25 14.668 -20.714 26.106 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.531 -19.692 26.285 1.00 0.00 H new ATOM 0 HH TYR A 25 11.630 -20.586 27.981 1.00 0.00 H new ATOM 407 N HIS A 26 12.163 -21.361 20.623 1.00 0.00 N ATOM 408 CA HIS A 26 11.625 -22.710 20.493 1.00 0.00 C ATOM 409 C HIS A 26 12.591 -23.610 19.728 1.00 0.00 C ATOM 410 O HIS A 26 12.800 -24.766 20.094 1.00 0.00 O ATOM 411 CB HIS A 26 10.271 -22.676 19.783 1.00 0.00 C ATOM 412 CG HIS A 26 9.115 -22.995 20.680 1.00 0.00 C ATOM 413 ND1 HIS A 26 8.767 -22.217 21.764 1.00 0.00 N ATOM 414 CD2 HIS A 26 8.225 -24.014 20.649 1.00 0.00 C ATOM 415 CE1 HIS A 26 7.714 -22.745 22.362 1.00 0.00 C ATOM 416 NE2 HIS A 26 7.365 -23.836 21.705 1.00 0.00 N ATOM 0 H HIS A 26 11.635 -20.646 20.123 1.00 0.00 H new ATOM 0 HA HIS A 26 11.492 -23.119 21.495 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.122 -21.687 19.350 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.286 -23.387 18.957 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.196 -24.818 19.928 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.222 -22.351 23.239 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.584 -24.447 21.943 1.00 0.00 H new ATOM 424 N TYR A 27 13.176 -23.071 18.664 1.00 0.00 N ATOM 425 CA TYR A 27 14.118 -23.826 17.846 1.00 0.00 C ATOM 426 C TYR A 27 15.347 -24.225 18.657 1.00 0.00 C ATOM 427 O TYR A 27 15.689 -25.404 18.749 1.00 0.00 O ATOM 428 CB TYR A 27 14.542 -23.002 16.628 1.00 0.00 C ATOM 429 CG TYR A 27 15.760 -23.551 15.920 1.00 0.00 C ATOM 430 CD1 TYR A 27 17.039 -23.148 16.282 1.00 0.00 C ATOM 431 CD2 TYR A 27 15.631 -24.474 14.890 1.00 0.00 C ATOM 432 CE1 TYR A 27 18.154 -23.646 15.637 1.00 0.00 C ATOM 433 CE2 TYR A 27 16.741 -24.979 14.240 1.00 0.00 C ATOM 434 CZ TYR A 27 18.000 -24.562 14.617 1.00 0.00 C ATOM 435 OH TYR A 27 19.109 -25.062 13.973 1.00 0.00 O ATOM 0 H TYR A 27 13.015 -22.115 18.348 1.00 0.00 H new ATOM 0 HA TYR A 27 13.619 -24.734 17.507 1.00 0.00 H new ATOM 0 HB2 TYR A 27 13.712 -22.957 15.923 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.746 -21.979 16.945 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.164 -22.433 17.082 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.646 -24.803 14.592 1.00 0.00 H new ATOM 0 HE1 TYR A 27 19.141 -23.320 15.930 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.623 -25.696 13.441 1.00 0.00 H new ATOM 0 HH TYR A 27 18.827 -25.696 13.281 1.00 0.00 H new ATOM 445 N VAL A 28 16.007 -23.232 19.245 1.00 0.00 N ATOM 446 CA VAL A 28 17.198 -23.478 20.050 1.00 0.00 C ATOM 447 C VAL A 28 16.874 -24.351 21.257 1.00 0.00 C ATOM 448 O VAL A 28 17.659 -25.221 21.635 1.00 0.00 O ATOM 449 CB VAL A 28 17.827 -22.159 20.539 1.00 0.00 C ATOM 450 CG1 VAL A 28 18.983 -22.438 21.486 1.00 0.00 C ATOM 451 CG2 VAL A 28 18.285 -21.318 19.357 1.00 0.00 C ATOM 0 H VAL A 28 15.737 -22.250 19.179 1.00 0.00 H new ATOM 0 HA VAL A 28 17.911 -23.997 19.410 1.00 0.00 H new ATOM 0 HB VAL A 28 17.070 -21.595 21.085 1.00 0.00 H new ATOM 0 HG11 VAL A 28 19.415 -21.495 21.821 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.620 -22.997 22.348 1.00 0.00 H new ATOM 0 HG13 VAL A 28 19.744 -23.022 20.969 1.00 0.00 H new ATOM 0 HG21 VAL A 28 18.727 -20.390 19.720 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.027 -21.872 18.782 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.430 -21.088 18.721 1.00 0.00 H new ATOM 461 N ALA A 29 15.712 -24.115 21.857 1.00 0.00 N ATOM 462 CA ALA A 29 15.283 -24.882 23.020 1.00 0.00 C ATOM 463 C ALA A 29 15.067 -26.348 22.661 1.00 0.00 C ATOM 464 O ALA A 29 15.306 -27.239 23.477 1.00 0.00 O ATOM 465 CB ALA A 29 14.011 -24.287 23.605 1.00 0.00 C ATOM 0 H ALA A 29 15.051 -23.399 21.557 1.00 0.00 H new ATOM 0 HA ALA A 29 16.073 -24.831 23.770 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.702 -24.870 24.473 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.197 -23.257 23.908 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.221 -24.308 22.854 1.00 0.00 H new ATOM 471 N VAL A 30 14.613 -26.592 21.436 1.00 0.00 N ATOM 472 CA VAL A 30 14.366 -27.951 20.969 1.00 0.00 C ATOM 473 C VAL A 30 15.626 -28.564 20.369 1.00 0.00 C ATOM 474 O VAL A 30 15.768 -29.785 20.313 1.00 0.00 O ATOM 475 CB VAL A 30 13.240 -27.987 19.918 1.00 0.00 C ATOM 476 CG1 VAL A 30 13.073 -29.393 19.363 1.00 0.00 C ATOM 477 CG2 VAL A 30 11.936 -27.482 20.517 1.00 0.00 C ATOM 0 H VAL A 30 14.409 -25.866 20.749 1.00 0.00 H new ATOM 0 HA VAL A 30 14.061 -28.534 21.838 1.00 0.00 H new ATOM 0 HB VAL A 30 13.514 -27.328 19.094 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.273 -29.399 18.622 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.004 -29.712 18.895 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.822 -30.077 20.174 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.152 -27.514 19.761 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.654 -28.113 21.360 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.067 -26.456 20.860 1.00 0.00 H new ATOM 487 N ASN A 31 16.539 -27.708 19.922 1.00 0.00 N ATOM 488 CA ASN A 31 17.789 -28.166 19.326 1.00 0.00 C ATOM 489 C ASN A 31 18.867 -28.342 20.390 1.00 0.00 C ATOM 490 O ASN A 31 19.842 -29.064 20.188 1.00 0.00 O ATOM 491 CB ASN A 31 18.264 -27.174 18.262 1.00 0.00 C ATOM 492 CG ASN A 31 18.042 -27.688 16.852 1.00 0.00 C ATOM 493 OD1 ASN A 31 16.945 -27.267 16.235 1.00 0.00 O flip ATOM 494 ND2 ASN A 31 18.849 -28.454 16.325 1.00 0.00 N flip ATOM 0 H ASN A 31 16.437 -26.694 19.961 1.00 0.00 H new ATOM 0 HA ASN A 31 17.606 -29.133 18.857 1.00 0.00 H new ATOM 0 HB2 ASN A 31 17.736 -26.229 18.389 1.00 0.00 H new ATOM 0 HB3 ASN A 31 19.324 -26.969 18.408 1.00 0.00 H new ATOM 0 HD21 ASN A 31 19.679 -28.751 16.837 1.00 0.00 H new ATOM 0 HD22 ASN A 31 18.687 -28.791 15.376 1.00 0.00 H new ATOM 501 N ASN A 32 18.684 -27.676 21.526 1.00 0.00 N ATOM 502 CA ASN A 32 19.641 -27.758 22.623 1.00 0.00 C ATOM 503 C ASN A 32 19.083 -28.594 23.771 1.00 0.00 C ATOM 504 O ASN A 32 17.997 -28.334 24.290 1.00 0.00 O ATOM 505 CB ASN A 32 19.997 -26.357 23.124 1.00 0.00 C ATOM 506 CG ASN A 32 20.884 -25.603 22.153 1.00 0.00 C ATOM 507 OD1 ASN A 32 20.446 -25.511 20.902 1.00 0.00 O flip ATOM 508 ND2 ASN A 32 21.949 -25.109 22.522 1.00 0.00 N flip ATOM 0 H ASN A 32 17.882 -27.074 21.710 1.00 0.00 H new ATOM 0 HA ASN A 32 20.543 -28.243 22.249 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.081 -25.790 23.290 1.00 0.00 H new ATOM 0 HB3 ASN A 32 20.502 -26.436 24.087 1.00 0.00 H new ATOM 0 HD21 ASN A 32 22.246 -25.204 23.493 1.00 0.00 H new ATOM 0 HD22 ASN A 32 22.535 -24.604 21.857 1.00 0.00 H new ATOM 515 N PRO A 33 19.841 -29.623 24.177 1.00 0.00 N ATOM 516 CA PRO A 33 19.443 -30.518 25.268 1.00 0.00 C ATOM 517 C PRO A 33 19.479 -29.827 26.627 1.00 0.00 C ATOM 518 O PRO A 33 19.008 -30.372 27.625 1.00 0.00 O ATOM 519 CB PRO A 33 20.487 -31.636 25.209 1.00 0.00 C ATOM 520 CG PRO A 33 21.680 -31.007 24.576 1.00 0.00 C ATOM 521 CD PRO A 33 21.146 -29.992 23.604 1.00 0.00 C ATOM 0 HA PRO A 33 18.417 -30.868 25.154 1.00 0.00 H new ATOM 0 HB2 PRO A 33 20.720 -32.013 26.205 1.00 0.00 H new ATOM 0 HB3 PRO A 33 20.128 -32.482 24.623 1.00 0.00 H new ATOM 0 HG2 PRO A 33 22.315 -30.534 25.325 1.00 0.00 H new ATOM 0 HG3 PRO A 33 22.290 -31.753 24.066 1.00 0.00 H new ATOM 0 HD2 PRO A 33 21.807 -29.129 23.521 1.00 0.00 H new ATOM 0 HD3 PRO A 33 21.041 -30.411 22.603 1.00 0.00 H new ATOM 529 N LYS A 34 20.042 -28.623 26.659 1.00 0.00 N ATOM 530 CA LYS A 34 20.138 -27.856 27.895 1.00 0.00 C ATOM 531 C LYS A 34 19.687 -26.415 27.677 1.00 0.00 C ATOM 532 O LYS A 34 20.474 -25.479 27.819 1.00 0.00 O ATOM 533 CB LYS A 34 21.575 -27.878 28.422 1.00 0.00 C ATOM 534 CG LYS A 34 22.214 -29.255 28.388 1.00 0.00 C ATOM 535 CD LYS A 34 23.367 -29.310 27.399 1.00 0.00 C ATOM 536 CE LYS A 34 23.956 -30.709 27.308 1.00 0.00 C ATOM 537 NZ LYS A 34 24.656 -31.099 28.563 1.00 0.00 N ATOM 0 H LYS A 34 20.439 -28.158 25.842 1.00 0.00 H new ATOM 0 HA LYS A 34 19.480 -28.317 28.632 1.00 0.00 H new ATOM 0 HB2 LYS A 34 22.180 -27.191 27.831 1.00 0.00 H new ATOM 0 HB3 LYS A 34 21.583 -27.508 29.447 1.00 0.00 H new ATOM 0 HG2 LYS A 34 22.574 -29.515 29.383 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.465 -29.998 28.116 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.019 -28.996 26.415 1.00 0.00 H new ATOM 0 HD3 LYS A 34 24.142 -28.607 27.703 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.161 -31.425 27.098 1.00 0.00 H new ATOM 0 HE3 LYS A 34 24.655 -30.755 26.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.144 -32.007 28.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.352 -30.368 28.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 23.962 -31.195 29.332 1.00 0.00 H new ATOM 551 N LYS A 35 18.415 -26.243 27.333 1.00 0.00 N ATOM 552 CA LYS A 35 17.858 -24.917 27.099 1.00 0.00 C ATOM 553 C LYS A 35 18.235 -23.961 28.226 1.00 0.00 C ATOM 554 O LYS A 35 18.654 -24.390 29.301 1.00 0.00 O ATOM 555 CB LYS A 35 16.335 -24.996 26.972 1.00 0.00 C ATOM 556 CG LYS A 35 15.857 -26.130 26.082 1.00 0.00 C ATOM 557 CD LYS A 35 15.328 -27.297 26.900 1.00 0.00 C ATOM 558 CE LYS A 35 15.205 -28.557 26.058 1.00 0.00 C ATOM 559 NZ LYS A 35 14.787 -29.731 26.874 1.00 0.00 N ATOM 0 H LYS A 35 17.750 -27.007 27.210 1.00 0.00 H new ATOM 0 HA LYS A 35 18.275 -24.535 26.167 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.902 -25.117 27.965 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.962 -24.052 26.575 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.074 -25.766 25.417 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.679 -26.470 25.451 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.994 -27.484 27.742 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.354 -27.039 27.316 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.480 -28.392 25.261 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.161 -28.769 25.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.715 -30.570 26.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.492 -29.905 27.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.862 -29.539 27.310 1.00 0.00 H new ATOM 573 N GLN A 36 18.082 -22.665 27.974 1.00 0.00 N ATOM 574 CA GLN A 36 18.406 -21.650 28.969 1.00 0.00 C ATOM 575 C GLN A 36 17.603 -21.864 30.247 1.00 0.00 C ATOM 576 O GLN A 36 18.168 -21.990 31.332 1.00 0.00 O ATOM 577 CB GLN A 36 18.135 -20.252 28.409 1.00 0.00 C ATOM 578 CG GLN A 36 19.125 -19.202 28.887 1.00 0.00 C ATOM 579 CD GLN A 36 19.190 -19.108 30.399 1.00 0.00 C ATOM 580 OE1 GLN A 36 20.006 -19.772 31.039 1.00 0.00 O ATOM 581 NE2 GLN A 36 18.330 -18.279 30.979 1.00 0.00 N ATOM 0 H GLN A 36 17.736 -22.293 27.089 1.00 0.00 H new ATOM 0 HA GLN A 36 19.465 -21.738 29.209 1.00 0.00 H new ATOM 0 HB2 GLN A 36 18.161 -20.295 27.320 1.00 0.00 H new ATOM 0 HB3 GLN A 36 17.128 -19.945 28.692 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.116 -19.438 28.498 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.845 -18.231 28.478 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.671 -17.748 30.410 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.329 -18.173 31.994 1.00 0.00 H new ATOM 590 N GLU A 37 16.281 -21.903 30.109 1.00 0.00 N ATOM 591 CA GLU A 37 15.400 -22.101 31.255 1.00 0.00 C ATOM 592 C GLU A 37 15.356 -23.571 31.660 1.00 0.00 C ATOM 593 O GLU A 37 15.267 -24.457 30.810 1.00 0.00 O ATOM 594 CB GLU A 37 13.988 -21.607 30.932 1.00 0.00 C ATOM 595 CG GLU A 37 13.840 -20.097 31.004 1.00 0.00 C ATOM 596 CD GLU A 37 13.784 -19.584 32.430 1.00 0.00 C ATOM 597 OE1 GLU A 37 14.855 -19.466 33.060 1.00 0.00 O ATOM 598 OE2 GLU A 37 12.668 -19.301 32.915 1.00 0.00 O ATOM 0 H GLU A 37 15.797 -21.800 29.217 1.00 0.00 H new ATOM 0 HA GLU A 37 15.797 -21.524 32.090 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.715 -21.943 29.932 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.284 -22.066 31.626 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.677 -19.628 30.486 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.933 -19.799 30.479 1.00 0.00 H new TER 605 GLU A 37