USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=7 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+ -168:sc=-0.00722 (180deg=-0.212) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.039) USER MOD Single : A 12 ASN : amide:sc= -0.0655 X(o=-0.066,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 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= -0.129 F(o=-0.78,f=-0.13) USER MOD Single : A 32 ASN : amide:sc= -0.391 K(o=-0.39,f=-3.3!) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0124) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.614 1.603 -4.685 1.00 0.00 N ATOM 2 CA MET A 1 0.221 2.036 -4.652 1.00 0.00 C ATOM 3 C MET A 1 -0.016 3.017 -3.508 1.00 0.00 C ATOM 4 O MET A 1 -0.831 3.933 -3.622 1.00 0.00 O ATOM 5 CB MET A 1 -0.707 0.829 -4.505 1.00 0.00 C ATOM 6 CG MET A 1 -1.649 0.640 -5.683 1.00 0.00 C ATOM 7 SD MET A 1 -1.731 -1.073 -6.239 1.00 0.00 S ATOM 8 CE MET A 1 -3.466 -1.211 -6.659 1.00 0.00 C ATOM 0 H1 MET A 1 1.801 1.104 -5.578 1.00 0.00 H new ATOM 0 H2 MET A 1 2.237 2.433 -4.615 1.00 0.00 H new ATOM 0 H3 MET A 1 1.798 0.963 -3.886 1.00 0.00 H new ATOM 0 HA MET A 1 0.001 2.542 -5.592 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.103 -0.071 -4.385 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.295 0.942 -3.594 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.648 0.975 -5.402 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.322 1.271 -6.510 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.674 -2.218 -7.021 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.071 -1.011 -5.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.710 -0.488 -7.438 1.00 0.00 H new ATOM 18 N ILE A 2 0.700 2.818 -2.406 1.00 0.00 N ATOM 19 CA ILE A 2 0.567 3.686 -1.242 1.00 0.00 C ATOM 20 C ILE A 2 1.901 4.329 -0.881 1.00 0.00 C ATOM 21 O ILE A 2 2.958 3.711 -1.014 1.00 0.00 O ATOM 22 CB ILE A 2 0.035 2.912 -0.021 1.00 0.00 C ATOM 23 CG1 ILE A 2 -1.205 2.103 -0.403 1.00 0.00 C ATOM 24 CG2 ILE A 2 -0.281 3.871 1.117 1.00 0.00 C ATOM 25 CD1 ILE A 2 -2.376 2.958 -0.835 1.00 0.00 C ATOM 0 H ILE A 2 1.378 2.064 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.148 4.464 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 2 0.807 2.220 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.947 1.419 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.506 1.492 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.656 3.309 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.624 4.407 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.038 4.585 0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.220 2.317 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.660 3.624 -0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.093 3.550 -1.705 1.00 0.00 H new ATOM 37 N THR A 3 1.846 5.575 -0.421 1.00 0.00 N ATOM 38 CA THR A 3 3.049 6.303 -0.039 1.00 0.00 C ATOM 39 C THR A 3 3.265 6.257 1.469 1.00 0.00 C ATOM 40 O THR A 3 3.884 7.152 2.045 1.00 0.00 O ATOM 41 CB THR A 3 2.983 7.774 -0.492 1.00 0.00 C ATOM 42 OG1 THR A 3 1.966 7.936 -1.486 1.00 0.00 O ATOM 43 CG2 THR A 3 4.323 8.228 -1.052 1.00 0.00 C ATOM 0 H THR A 3 0.980 6.101 -0.304 1.00 0.00 H new ATOM 0 HA THR A 3 3.886 5.814 -0.538 1.00 0.00 H new ATOM 0 HB THR A 3 2.742 8.388 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.930 8.874 -1.767 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.252 9.270 -1.365 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.090 8.132 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.588 7.609 -1.909 1.00 0.00 H new ATOM 51 N ASP A 4 2.751 5.209 2.103 1.00 0.00 N ATOM 52 CA ASP A 4 2.889 5.045 3.546 1.00 0.00 C ATOM 53 C ASP A 4 3.502 3.689 3.882 1.00 0.00 C ATOM 54 O ASP A 4 3.268 3.141 4.960 1.00 0.00 O ATOM 55 CB ASP A 4 1.528 5.187 4.229 1.00 0.00 C ATOM 56 CG ASP A 4 1.613 5.956 5.534 1.00 0.00 C ATOM 57 OD1 ASP A 4 1.551 7.202 5.493 1.00 0.00 O ATOM 58 OD2 ASP A 4 1.741 5.310 6.595 1.00 0.00 O ATOM 0 H ASP A 4 2.235 4.460 1.641 1.00 0.00 H new ATOM 0 HA ASP A 4 3.555 5.826 3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.838 5.695 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.116 4.196 4.420 1.00 0.00 H new ATOM 63 N VAL A 5 4.287 3.153 2.953 1.00 0.00 N ATOM 64 CA VAL A 5 4.933 1.861 3.151 1.00 0.00 C ATOM 65 C VAL A 5 6.063 1.962 4.169 1.00 0.00 C ATOM 66 O VAL A 5 6.548 0.950 4.674 1.00 0.00 O ATOM 67 CB VAL A 5 5.496 1.307 1.829 1.00 0.00 C ATOM 68 CG1 VAL A 5 6.006 -0.114 2.019 1.00 0.00 C ATOM 69 CG2 VAL A 5 4.439 1.361 0.736 1.00 0.00 C ATOM 0 H VAL A 5 4.491 3.593 2.056 1.00 0.00 H new ATOM 0 HA VAL A 5 4.170 1.179 3.526 1.00 0.00 H new ATOM 0 HB VAL A 5 6.336 1.931 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.400 -0.489 1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.797 -0.120 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.187 -0.753 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.854 0.966 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.578 0.762 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.127 2.394 0.582 1.00 0.00 H new ATOM 79 N GLN A 6 6.477 3.190 4.466 1.00 0.00 N ATOM 80 CA GLN A 6 7.551 3.423 5.424 1.00 0.00 C ATOM 81 C GLN A 6 7.148 2.954 6.818 1.00 0.00 C ATOM 82 O GLN A 6 7.926 2.301 7.514 1.00 0.00 O ATOM 83 CB GLN A 6 7.919 4.907 5.459 1.00 0.00 C ATOM 84 CG GLN A 6 8.007 5.545 4.082 1.00 0.00 C ATOM 85 CD GLN A 6 8.881 4.754 3.128 1.00 0.00 C ATOM 86 OE1 GLN A 6 10.096 4.665 3.310 1.00 0.00 O ATOM 87 NE2 GLN A 6 8.266 4.175 2.103 1.00 0.00 N ATOM 0 H GLN A 6 6.085 4.038 4.057 1.00 0.00 H new ATOM 0 HA GLN A 6 8.420 2.848 5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.177 5.443 6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 6 8.877 5.023 5.966 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.005 5.634 3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.403 6.556 4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.257 4.275 1.991 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.803 3.630 1.428 1.00 0.00 H new ATOM 96 N LEU A 7 5.927 3.292 7.220 1.00 0.00 N ATOM 97 CA LEU A 7 5.420 2.905 8.533 1.00 0.00 C ATOM 98 C LEU A 7 5.521 1.397 8.733 1.00 0.00 C ATOM 99 O LEU A 7 5.735 0.921 9.847 1.00 0.00 O ATOM 100 CB LEU A 7 3.967 3.357 8.693 1.00 0.00 C ATOM 101 CG LEU A 7 3.220 2.796 9.903 1.00 0.00 C ATOM 102 CD1 LEU A 7 2.777 3.922 10.825 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.024 1.969 9.455 1.00 0.00 C ATOM 0 H LEU A 7 5.271 3.832 6.657 1.00 0.00 H new ATOM 0 HA LEU A 7 6.032 3.394 9.291 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.950 4.445 8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.420 3.079 7.792 1.00 0.00 H new ATOM 0 HG LEU A 7 3.898 2.146 10.456 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.247 3.504 11.681 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.651 4.473 11.173 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.115 4.597 10.283 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.504 1.578 10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.344 2.596 8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.366 1.140 8.835 1.00 0.00 H new ATOM 115 N ALA A 8 5.366 0.649 7.645 1.00 0.00 N ATOM 116 CA ALA A 8 5.444 -0.805 7.700 1.00 0.00 C ATOM 117 C ALA A 8 6.720 -1.261 8.400 1.00 0.00 C ATOM 118 O ALA A 8 6.722 -2.262 9.116 1.00 0.00 O ATOM 119 CB ALA A 8 5.371 -1.392 6.298 1.00 0.00 C ATOM 0 H ALA A 8 5.186 1.027 6.715 1.00 0.00 H new ATOM 0 HA ALA A 8 4.594 -1.167 8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.431 -2.479 6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.429 -1.104 5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.201 -1.014 5.702 1.00 0.00 H new ATOM 125 N ILE A 9 7.802 -0.520 8.187 1.00 0.00 N ATOM 126 CA ILE A 9 9.084 -0.849 8.799 1.00 0.00 C ATOM 127 C ILE A 9 9.032 -0.673 10.313 1.00 0.00 C ATOM 128 O ILE A 9 9.733 -1.364 11.053 1.00 0.00 O ATOM 129 CB ILE A 9 10.219 0.024 8.231 1.00 0.00 C ATOM 130 CG1 ILE A 9 10.278 -0.106 6.708 1.00 0.00 C ATOM 131 CG2 ILE A 9 11.550 -0.367 8.854 1.00 0.00 C ATOM 132 CD1 ILE A 9 11.292 0.813 6.062 1.00 0.00 C ATOM 0 H ILE A 9 7.817 0.311 7.596 1.00 0.00 H new ATOM 0 HA ILE A 9 9.287 -1.894 8.564 1.00 0.00 H new ATOM 0 HB ILE A 9 10.016 1.066 8.480 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.517 -1.137 6.448 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.292 0.106 6.295 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.342 0.259 8.443 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.501 -0.227 9.934 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.762 -1.413 8.633 1.00 0.00 H new ATOM 0 HD11 ILE A 9 11.279 0.667 4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.042 1.849 6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 9 12.286 0.586 6.447 1.00 0.00 H new ATOM 144 N PHE A 10 8.195 0.254 10.767 1.00 0.00 N ATOM 145 CA PHE A 10 8.051 0.519 12.194 1.00 0.00 C ATOM 146 C PHE A 10 7.094 -0.479 12.839 1.00 0.00 C ATOM 147 O PHE A 10 7.210 -0.790 14.023 1.00 0.00 O ATOM 148 CB PHE A 10 7.545 1.946 12.419 1.00 0.00 C ATOM 149 CG PHE A 10 7.657 2.403 13.846 1.00 0.00 C ATOM 150 CD1 PHE A 10 8.874 2.360 14.507 1.00 0.00 C ATOM 151 CD2 PHE A 10 6.546 2.875 14.525 1.00 0.00 C ATOM 152 CE1 PHE A 10 8.980 2.779 15.820 1.00 0.00 C ATOM 153 CE2 PHE A 10 6.646 3.296 15.838 1.00 0.00 C ATOM 154 CZ PHE A 10 7.865 3.249 16.486 1.00 0.00 C ATOM 0 H PHE A 10 7.607 0.834 10.168 1.00 0.00 H new ATOM 0 HA PHE A 10 9.030 0.409 12.660 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.109 2.628 11.782 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.502 2.007 12.107 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.750 1.995 13.991 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.591 2.915 14.023 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.934 2.739 16.325 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.772 3.661 16.357 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.946 3.579 17.511 1.00 0.00 H new ATOM 164 N ALA A 11 6.147 -0.977 12.049 1.00 0.00 N ATOM 165 CA ALA A 11 5.171 -1.941 12.542 1.00 0.00 C ATOM 166 C ALA A 11 5.739 -3.356 12.521 1.00 0.00 C ATOM 167 O ALA A 11 5.538 -4.129 13.458 1.00 0.00 O ATOM 168 CB ALA A 11 3.896 -1.870 11.715 1.00 0.00 C ATOM 0 H ALA A 11 6.036 -0.729 11.066 1.00 0.00 H new ATOM 0 HA ALA A 11 4.936 -1.687 13.576 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.176 -2.595 12.094 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.473 -0.868 11.784 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.125 -2.096 10.674 1.00 0.00 H new ATOM 174 N ASN A 12 6.448 -3.689 11.448 1.00 0.00 N ATOM 175 CA ASN A 12 7.043 -5.013 11.306 1.00 0.00 C ATOM 176 C ASN A 12 8.094 -5.255 12.385 1.00 0.00 C ATOM 177 O ASN A 12 8.216 -6.362 12.909 1.00 0.00 O ATOM 178 CB ASN A 12 7.674 -5.165 9.920 1.00 0.00 C ATOM 179 CG ASN A 12 7.458 -6.547 9.335 1.00 0.00 C ATOM 180 OD1 ASN A 12 8.412 -7.286 9.089 1.00 0.00 O ATOM 181 ND2 ASN A 12 6.199 -6.903 9.108 1.00 0.00 N ATOM 0 H ASN A 12 6.625 -3.061 10.664 1.00 0.00 H new ATOM 0 HA ASN A 12 6.252 -5.754 11.421 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.251 -4.419 9.247 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.743 -4.965 9.987 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.992 -7.821 8.715 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.439 -6.259 9.327 1.00 0.00 H new ATOM 188 N MET A 13 8.851 -4.213 12.710 1.00 0.00 N ATOM 189 CA MET A 13 9.891 -4.312 13.728 1.00 0.00 C ATOM 190 C MET A 13 9.279 -4.432 15.121 1.00 0.00 C ATOM 191 O MET A 13 9.811 -5.128 15.986 1.00 0.00 O ATOM 192 CB MET A 13 10.812 -3.092 13.667 1.00 0.00 C ATOM 193 CG MET A 13 12.281 -3.430 13.867 1.00 0.00 C ATOM 194 SD MET A 13 12.649 -3.961 15.550 1.00 0.00 S ATOM 195 CE MET A 13 14.426 -4.164 15.460 1.00 0.00 C ATOM 0 H MET A 13 8.764 -3.290 12.284 1.00 0.00 H new ATOM 0 HA MET A 13 10.475 -5.210 13.528 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.688 -2.601 12.702 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.505 -2.376 14.430 1.00 0.00 H new ATOM 0 HG2 MET A 13 12.566 -4.219 13.171 1.00 0.00 H new ATOM 0 HG3 MET A 13 12.887 -2.557 13.625 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.804 -4.491 16.429 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.669 -4.911 14.704 1.00 0.00 H new ATOM 0 HE3 MET A 13 14.888 -3.214 15.192 1.00 0.00 H new ATOM 205 N LEU A 14 8.158 -3.749 15.330 1.00 0.00 N ATOM 206 CA LEU A 14 7.474 -3.779 16.618 1.00 0.00 C ATOM 207 C LEU A 14 7.038 -5.198 16.970 1.00 0.00 C ATOM 208 O LEU A 14 6.750 -5.501 18.127 1.00 0.00 O ATOM 209 CB LEU A 14 6.258 -2.851 16.593 1.00 0.00 C ATOM 210 CG LEU A 14 6.004 -2.044 17.867 1.00 0.00 C ATOM 211 CD1 LEU A 14 6.656 -0.673 17.769 1.00 0.00 C ATOM 212 CD2 LEU A 14 4.511 -1.909 18.124 1.00 0.00 C ATOM 0 H LEU A 14 7.704 -3.168 14.625 1.00 0.00 H new ATOM 0 HA LEU A 14 8.172 -3.433 17.381 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.374 -2.155 15.763 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.372 -3.451 16.384 1.00 0.00 H new ATOM 0 HG LEU A 14 6.450 -2.577 18.707 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.465 -0.113 18.684 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.731 -0.790 17.633 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.240 -0.132 16.919 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.349 -1.332 19.034 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.042 -1.399 17.283 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.071 -2.899 18.239 1.00 0.00 H new ATOM 224 N GLY A 15 6.993 -6.065 15.963 1.00 0.00 N ATOM 225 CA GLY A 15 6.593 -7.442 16.187 1.00 0.00 C ATOM 226 C GLY A 15 7.743 -8.415 16.015 1.00 0.00 C ATOM 227 O GLY A 15 7.838 -9.408 16.736 1.00 0.00 O ATOM 0 H GLY A 15 7.226 -5.838 14.996 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.186 -7.540 17.193 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.794 -7.702 15.493 1.00 0.00 H new ATOM 231 N VAL A 16 8.619 -8.130 15.057 1.00 0.00 N ATOM 232 CA VAL A 16 9.768 -8.987 14.792 1.00 0.00 C ATOM 233 C VAL A 16 10.544 -9.278 16.072 1.00 0.00 C ATOM 234 O VAL A 16 11.217 -10.302 16.183 1.00 0.00 O ATOM 235 CB VAL A 16 10.719 -8.350 13.762 1.00 0.00 C ATOM 236 CG1 VAL A 16 12.083 -9.022 13.805 1.00 0.00 C ATOM 237 CG2 VAL A 16 10.121 -8.428 12.365 1.00 0.00 C ATOM 0 H VAL A 16 8.555 -7.312 14.451 1.00 0.00 H new ATOM 0 HA VAL A 16 9.378 -9.921 14.386 1.00 0.00 H new ATOM 0 HB VAL A 16 10.851 -7.299 14.018 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.741 -8.558 13.070 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.513 -8.908 14.800 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.974 -10.082 13.576 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.806 -7.973 11.650 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.957 -9.472 12.097 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.170 -7.895 12.346 1.00 0.00 H new ATOM 247 N SER A 17 10.444 -8.369 17.037 1.00 0.00 N ATOM 248 CA SER A 17 11.140 -8.525 18.309 1.00 0.00 C ATOM 249 C SER A 17 10.550 -9.681 19.112 1.00 0.00 C ATOM 250 O SER A 17 11.260 -10.609 19.499 1.00 0.00 O ATOM 251 CB SER A 17 11.059 -7.231 19.121 1.00 0.00 C ATOM 252 OG SER A 17 12.119 -6.352 18.787 1.00 0.00 O ATOM 0 H SER A 17 9.888 -7.517 16.962 1.00 0.00 H new ATOM 0 HA SER A 17 12.186 -8.748 18.098 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.103 -6.741 18.935 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.096 -7.463 20.185 1.00 0.00 H new ATOM 0 HG SER A 17 12.044 -5.532 19.318 1.00 0.00 H new ATOM 258 N LEU A 18 9.246 -9.616 19.358 1.00 0.00 N ATOM 259 CA LEU A 18 8.558 -10.657 20.115 1.00 0.00 C ATOM 260 C LEU A 18 8.368 -11.911 19.268 1.00 0.00 C ATOM 261 O LEU A 18 8.014 -12.972 19.783 1.00 0.00 O ATOM 262 CB LEU A 18 7.202 -10.147 20.604 1.00 0.00 C ATOM 263 CG LEU A 18 7.145 -8.674 21.010 1.00 0.00 C ATOM 264 CD1 LEU A 18 5.758 -8.314 21.522 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.200 -8.370 22.064 1.00 0.00 C ATOM 0 H LEU A 18 8.644 -8.854 19.045 1.00 0.00 H new ATOM 0 HA LEU A 18 9.175 -10.913 20.976 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.468 -10.315 19.816 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.896 -10.751 21.458 1.00 0.00 H new ATOM 0 HG LEU A 18 7.354 -8.066 20.130 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.737 -7.262 21.806 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.023 -8.493 20.737 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.520 -8.929 22.390 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.145 -7.317 22.341 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.022 -8.987 22.945 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.189 -8.588 21.662 1.00 0.00 H new ATOM 277 N PHE A 19 8.608 -11.782 17.968 1.00 0.00 N ATOM 278 CA PHE A 19 8.464 -12.905 17.049 1.00 0.00 C ATOM 279 C PHE A 19 9.776 -13.674 16.920 1.00 0.00 C ATOM 280 O PHE A 19 9.859 -14.849 17.281 1.00 0.00 O ATOM 281 CB PHE A 19 8.012 -12.412 15.673 1.00 0.00 C ATOM 282 CG PHE A 19 7.749 -13.521 14.695 1.00 0.00 C ATOM 283 CD1 PHE A 19 7.302 -14.757 15.133 1.00 0.00 C ATOM 284 CD2 PHE A 19 7.950 -13.327 13.338 1.00 0.00 C ATOM 285 CE1 PHE A 19 7.061 -15.780 14.235 1.00 0.00 C ATOM 286 CE2 PHE A 19 7.709 -14.346 12.435 1.00 0.00 C ATOM 287 CZ PHE A 19 7.263 -15.574 12.884 1.00 0.00 C ATOM 0 H PHE A 19 8.903 -10.911 17.527 1.00 0.00 H new ATOM 0 HA PHE A 19 7.707 -13.577 17.453 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.105 -11.818 15.789 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.776 -11.751 15.264 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.140 -14.923 16.188 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.299 -12.369 12.981 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.715 -16.740 14.589 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.869 -14.182 11.380 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.073 -16.371 12.181 1.00 0.00 H new ATOM 297 N LEU A 20 10.799 -13.002 16.403 1.00 0.00 N ATOM 298 CA LEU A 20 12.109 -13.621 16.225 1.00 0.00 C ATOM 299 C LEU A 20 12.589 -14.261 17.523 1.00 0.00 C ATOM 300 O LEU A 20 13.172 -15.347 17.514 1.00 0.00 O ATOM 301 CB LEU A 20 13.125 -12.582 15.749 1.00 0.00 C ATOM 302 CG LEU A 20 14.597 -12.969 15.890 1.00 0.00 C ATOM 303 CD1 LEU A 20 14.925 -14.156 14.999 1.00 0.00 C ATOM 304 CD2 LEU A 20 15.495 -11.785 15.558 1.00 0.00 C ATOM 0 H LEU A 20 10.747 -12.029 16.100 1.00 0.00 H new ATOM 0 HA LEU A 20 12.016 -14.401 15.470 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.926 -12.363 14.700 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.958 -11.659 16.304 1.00 0.00 H new ATOM 0 HG LEU A 20 14.779 -13.258 16.925 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.977 -14.417 15.113 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.307 -15.007 15.285 1.00 0.00 H new ATOM 0 HD13 LEU A 20 14.726 -13.896 13.959 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.539 -12.079 15.664 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.310 -11.465 14.533 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.279 -10.962 16.240 1.00 0.00 H new ATOM 316 N LEU A 21 12.340 -13.584 18.638 1.00 0.00 N ATOM 317 CA LEU A 21 12.745 -14.088 19.946 1.00 0.00 C ATOM 318 C LEU A 21 12.112 -15.447 20.226 1.00 0.00 C ATOM 319 O LEU A 21 12.793 -16.390 20.630 1.00 0.00 O ATOM 320 CB LEU A 21 12.353 -13.094 21.041 1.00 0.00 C ATOM 321 CG LEU A 21 13.437 -12.104 21.469 1.00 0.00 C ATOM 322 CD1 LEU A 21 14.516 -12.809 22.276 1.00 0.00 C ATOM 323 CD2 LEU A 21 14.042 -11.418 20.253 1.00 0.00 C ATOM 0 H LEU A 21 11.860 -12.685 18.663 1.00 0.00 H new ATOM 0 HA LEU A 21 13.829 -14.207 19.943 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.488 -12.528 20.697 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.037 -13.657 21.919 1.00 0.00 H new ATOM 0 HG LEU A 21 12.978 -11.343 22.101 1.00 0.00 H new ATOM 0 HD11 LEU A 21 15.279 -12.088 22.572 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.072 -13.254 23.167 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.972 -13.591 21.669 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.812 -10.717 20.576 1.00 0.00 H new ATOM 0 HD22 LEU A 21 14.486 -12.166 19.596 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.263 -10.879 19.714 1.00 0.00 H new ATOM 335 N VAL A 22 10.804 -15.541 20.007 1.00 0.00 N ATOM 336 CA VAL A 22 10.079 -16.786 20.233 1.00 0.00 C ATOM 337 C VAL A 22 10.521 -17.865 19.251 1.00 0.00 C ATOM 338 O VAL A 22 10.797 -18.999 19.641 1.00 0.00 O ATOM 339 CB VAL A 22 8.558 -16.581 20.103 1.00 0.00 C ATOM 340 CG1 VAL A 22 7.823 -17.899 20.290 1.00 0.00 C ATOM 341 CG2 VAL A 22 8.073 -15.544 21.106 1.00 0.00 C ATOM 0 H VAL A 22 10.225 -14.770 19.674 1.00 0.00 H new ATOM 0 HA VAL A 22 10.309 -17.107 21.249 1.00 0.00 H new ATOM 0 HB VAL A 22 8.343 -16.212 19.100 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.750 -17.734 20.195 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.150 -18.609 19.530 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.042 -18.300 21.279 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.996 -15.411 21.000 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.300 -15.882 22.117 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.575 -14.595 20.920 1.00 0.00 H new ATOM 351 N VAL A 23 10.586 -17.504 17.973 1.00 0.00 N ATOM 352 CA VAL A 23 10.996 -18.441 16.934 1.00 0.00 C ATOM 353 C VAL A 23 12.354 -19.055 17.252 1.00 0.00 C ATOM 354 O VAL A 23 12.516 -20.276 17.231 1.00 0.00 O ATOM 355 CB VAL A 23 11.065 -17.755 15.556 1.00 0.00 C ATOM 356 CG1 VAL A 23 11.316 -18.781 14.461 1.00 0.00 C ATOM 357 CG2 VAL A 23 9.788 -16.975 15.285 1.00 0.00 C ATOM 0 H VAL A 23 10.360 -16.569 17.633 1.00 0.00 H new ATOM 0 HA VAL A 23 10.243 -19.229 16.903 1.00 0.00 H new ATOM 0 HB VAL A 23 11.898 -17.052 15.560 1.00 0.00 H new ATOM 0 HG11 VAL A 23 11.362 -18.278 13.495 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.261 -19.291 14.650 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.506 -19.510 14.453 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.854 -16.497 14.308 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.936 -17.655 15.300 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.657 -16.213 16.053 1.00 0.00 H new ATOM 367 N LEU A 24 13.328 -18.202 17.548 1.00 0.00 N ATOM 368 CA LEU A 24 14.675 -18.661 17.873 1.00 0.00 C ATOM 369 C LEU A 24 14.693 -19.393 19.211 1.00 0.00 C ATOM 370 O LEU A 24 15.563 -20.227 19.462 1.00 0.00 O ATOM 371 CB LEU A 24 15.642 -17.476 17.914 1.00 0.00 C ATOM 372 CG LEU A 24 16.878 -17.588 17.022 1.00 0.00 C ATOM 373 CD1 LEU A 24 16.888 -16.479 15.982 1.00 0.00 C ATOM 374 CD2 LEU A 24 18.147 -17.547 17.861 1.00 0.00 C ATOM 0 H LEU A 24 13.211 -17.189 17.570 1.00 0.00 H new ATOM 0 HA LEU A 24 14.993 -19.356 17.096 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.095 -16.576 17.632 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.973 -17.338 18.943 1.00 0.00 H new ATOM 0 HG LEU A 24 16.841 -18.545 16.502 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.775 -16.575 15.356 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.996 -16.555 15.361 1.00 0.00 H new ATOM 0 HD13 LEU A 24 16.900 -15.511 16.483 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.017 -17.628 17.209 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.191 -16.606 18.409 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.144 -18.378 18.567 1.00 0.00 H new ATOM 386 N TYR A 25 13.725 -19.079 20.064 1.00 0.00 N ATOM 387 CA TYR A 25 13.630 -19.707 21.377 1.00 0.00 C ATOM 388 C TYR A 25 13.173 -21.158 21.254 1.00 0.00 C ATOM 389 O TYR A 25 13.780 -22.063 21.827 1.00 0.00 O ATOM 390 CB TYR A 25 12.661 -18.929 22.269 1.00 0.00 C ATOM 391 CG TYR A 25 12.556 -19.479 23.673 1.00 0.00 C ATOM 392 CD1 TYR A 25 13.664 -20.024 24.311 1.00 0.00 C ATOM 393 CD2 TYR A 25 11.350 -19.455 24.362 1.00 0.00 C ATOM 394 CE1 TYR A 25 13.573 -20.529 25.594 1.00 0.00 C ATOM 395 CE2 TYR A 25 11.250 -19.955 25.646 1.00 0.00 C ATOM 396 CZ TYR A 25 12.364 -20.491 26.257 1.00 0.00 C ATOM 397 OH TYR A 25 12.268 -20.993 27.535 1.00 0.00 O ATOM 0 H TYR A 25 12.995 -18.394 19.870 1.00 0.00 H new ATOM 0 HA TYR A 25 14.621 -19.694 21.831 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.982 -17.888 22.319 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.672 -18.936 21.810 1.00 0.00 H new ATOM 0 HD1 TYR A 25 14.612 -20.053 23.795 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.475 -19.038 23.885 1.00 0.00 H new ATOM 0 HE1 TYR A 25 14.443 -20.951 26.075 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.305 -19.926 26.168 1.00 0.00 H new ATOM 0 HH TYR A 25 11.349 -20.889 27.859 1.00 0.00 H new ATOM 407 N HIS A 26 12.097 -21.371 20.503 1.00 0.00 N ATOM 408 CA HIS A 26 11.557 -22.711 20.303 1.00 0.00 C ATOM 409 C HIS A 26 12.547 -23.587 19.541 1.00 0.00 C ATOM 410 O HIS A 26 12.726 -24.762 19.861 1.00 0.00 O ATOM 411 CB HIS A 26 10.231 -22.642 19.546 1.00 0.00 C ATOM 412 CG HIS A 26 9.046 -23.030 20.376 1.00 0.00 C ATOM 413 ND1 HIS A 26 8.753 -24.336 20.706 1.00 0.00 N ATOM 414 CD2 HIS A 26 8.080 -22.273 20.947 1.00 0.00 C ATOM 415 CE1 HIS A 26 7.656 -24.366 21.441 1.00 0.00 C ATOM 416 NE2 HIS A 26 7.228 -23.127 21.603 1.00 0.00 N ATOM 0 H HIS A 26 11.582 -20.633 20.023 1.00 0.00 H new ATOM 0 HA HIS A 26 11.384 -23.156 21.283 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.087 -21.628 19.174 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.284 -23.296 18.676 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.995 -21.198 20.896 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.188 -25.253 21.842 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.400 -22.850 22.130 1.00 0.00 H new ATOM 424 N TYR A 27 13.187 -23.008 18.531 1.00 0.00 N ATOM 425 CA TYR A 27 14.156 -23.736 17.721 1.00 0.00 C ATOM 426 C TYR A 27 15.346 -24.181 18.565 1.00 0.00 C ATOM 427 O TYR A 27 15.667 -25.368 18.630 1.00 0.00 O ATOM 428 CB TYR A 27 14.637 -22.866 16.559 1.00 0.00 C ATOM 429 CG TYR A 27 15.882 -23.394 15.882 1.00 0.00 C ATOM 430 CD1 TYR A 27 15.793 -24.289 14.822 1.00 0.00 C ATOM 431 CD2 TYR A 27 17.146 -23.001 16.303 1.00 0.00 C ATOM 432 CE1 TYR A 27 16.927 -24.775 14.201 1.00 0.00 C ATOM 433 CE2 TYR A 27 18.285 -23.480 15.686 1.00 0.00 C ATOM 434 CZ TYR A 27 18.171 -24.367 14.636 1.00 0.00 C ATOM 435 OH TYR A 27 19.304 -24.849 14.021 1.00 0.00 O ATOM 0 H TYR A 27 13.052 -22.036 18.254 1.00 0.00 H new ATOM 0 HA TYR A 27 13.665 -24.623 17.322 1.00 0.00 H new ATOM 0 HB2 TYR A 27 13.839 -22.786 15.821 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.833 -21.859 16.927 1.00 0.00 H new ATOM 0 HD1 TYR A 27 14.821 -24.610 14.478 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.240 -22.309 17.127 1.00 0.00 H new ATOM 0 HE1 TYR A 27 16.840 -25.471 13.379 1.00 0.00 H new ATOM 0 HE2 TYR A 27 19.260 -23.162 16.024 1.00 0.00 H new ATOM 0 HH TYR A 27 20.097 -24.462 14.447 1.00 0.00 H new ATOM 445 N VAL A 28 15.998 -23.219 19.211 1.00 0.00 N ATOM 446 CA VAL A 28 17.152 -23.510 20.054 1.00 0.00 C ATOM 447 C VAL A 28 16.768 -24.416 21.218 1.00 0.00 C ATOM 448 O VAL A 28 17.534 -25.294 21.614 1.00 0.00 O ATOM 449 CB VAL A 28 17.782 -22.219 20.607 1.00 0.00 C ATOM 450 CG1 VAL A 28 18.900 -22.547 21.585 1.00 0.00 C ATOM 451 CG2 VAL A 28 18.295 -21.347 19.471 1.00 0.00 C ATOM 0 H VAL A 28 15.747 -22.231 19.167 1.00 0.00 H new ATOM 0 HA VAL A 28 17.882 -24.021 19.426 1.00 0.00 H new ATOM 0 HB VAL A 28 17.014 -21.662 21.143 1.00 0.00 H new ATOM 0 HG11 VAL A 28 19.334 -21.622 21.966 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.498 -23.128 22.415 1.00 0.00 H new ATOM 0 HG13 VAL A 28 19.670 -23.126 21.076 1.00 0.00 H new ATOM 0 HG21 VAL A 28 18.737 -20.439 19.881 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.049 -21.894 18.904 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.467 -21.083 18.813 1.00 0.00 H new ATOM 461 N ALA A 29 15.576 -24.196 21.764 1.00 0.00 N ATOM 462 CA ALA A 29 15.088 -24.993 22.882 1.00 0.00 C ATOM 463 C ALA A 29 14.873 -26.445 22.468 1.00 0.00 C ATOM 464 O ALA A 29 15.054 -27.363 23.269 1.00 0.00 O ATOM 465 CB ALA A 29 13.798 -24.402 23.430 1.00 0.00 C ATOM 0 H ALA A 29 14.930 -23.472 21.449 1.00 0.00 H new ATOM 0 HA ALA A 29 15.844 -24.974 23.667 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.446 -25.008 24.265 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.981 -23.384 23.773 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.041 -24.390 22.646 1.00 0.00 H new ATOM 471 N VAL A 30 14.485 -26.647 21.213 1.00 0.00 N ATOM 472 CA VAL A 30 14.245 -27.987 20.693 1.00 0.00 C ATOM 473 C VAL A 30 15.521 -28.589 20.116 1.00 0.00 C ATOM 474 O VAL A 30 15.654 -29.808 20.015 1.00 0.00 O ATOM 475 CB VAL A 30 13.156 -27.981 19.604 1.00 0.00 C ATOM 476 CG1 VAL A 30 12.996 -29.367 19.000 1.00 0.00 C ATOM 477 CG2 VAL A 30 11.836 -27.483 20.175 1.00 0.00 C ATOM 0 H VAL A 30 14.330 -25.899 20.537 1.00 0.00 H new ATOM 0 HA VAL A 30 13.906 -28.595 21.532 1.00 0.00 H new ATOM 0 HB VAL A 30 13.463 -27.300 18.811 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.222 -29.342 18.233 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.940 -29.681 18.554 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.711 -30.073 19.780 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.077 -27.485 19.392 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.521 -28.138 20.988 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.963 -26.469 20.555 1.00 0.00 H new ATOM 487 N ASN A 31 16.458 -27.725 19.739 1.00 0.00 N ATOM 488 CA ASN A 31 17.725 -28.172 19.171 1.00 0.00 C ATOM 489 C ASN A 31 18.773 -28.366 20.263 1.00 0.00 C ATOM 490 O ASN A 31 19.765 -29.066 20.068 1.00 0.00 O ATOM 491 CB ASN A 31 18.230 -27.161 18.139 1.00 0.00 C ATOM 492 CG ASN A 31 18.047 -27.649 16.714 1.00 0.00 C ATOM 493 OD1 ASN A 31 16.988 -27.184 16.061 1.00 0.00 O flip ATOM 494 ND2 ASN A 31 18.848 -28.434 16.208 1.00 0.00 N flip ATOM 0 H ASN A 31 16.364 -26.712 19.816 1.00 0.00 H new ATOM 0 HA ASN A 31 17.556 -29.130 18.680 1.00 0.00 H new ATOM 0 HB2 ASN A 31 17.699 -26.218 18.268 1.00 0.00 H new ATOM 0 HB3 ASN A 31 19.286 -26.959 18.318 1.00 0.00 H new ATOM 0 HD21 ASN A 31 19.648 -28.765 16.748 1.00 0.00 H new ATOM 0 HD22 ASN A 31 18.712 -28.754 15.249 1.00 0.00 H new ATOM 501 N ASN A 32 18.543 -27.740 21.413 1.00 0.00 N ATOM 502 CA ASN A 32 19.467 -27.843 22.537 1.00 0.00 C ATOM 503 C ASN A 32 18.888 -28.728 23.637 1.00 0.00 C ATOM 504 O ASN A 32 17.776 -28.512 24.121 1.00 0.00 O ATOM 505 CB ASN A 32 19.780 -26.454 23.096 1.00 0.00 C ATOM 506 CG ASN A 32 20.598 -25.614 22.133 1.00 0.00 C ATOM 507 OD1 ASN A 32 20.737 -25.955 20.959 1.00 0.00 O ATOM 508 ND2 ASN A 32 21.144 -24.510 22.629 1.00 0.00 N ATOM 0 H ASN A 32 17.725 -27.157 21.591 1.00 0.00 H new ATOM 0 HA ASN A 32 20.390 -28.298 22.177 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.847 -25.938 23.322 1.00 0.00 H new ATOM 0 HB3 ASN A 32 20.323 -26.557 24.035 1.00 0.00 H new ATOM 0 HD21 ASN A 32 21.706 -23.905 22.030 1.00 0.00 H new ATOM 0 HD22 ASN A 32 21.002 -24.267 23.609 1.00 0.00 H new ATOM 515 N PRO A 33 19.658 -29.748 24.043 1.00 0.00 N ATOM 516 CA PRO A 33 19.243 -30.685 25.091 1.00 0.00 C ATOM 517 C PRO A 33 19.208 -30.034 26.470 1.00 0.00 C ATOM 518 O PRO A 33 18.682 -30.606 27.425 1.00 0.00 O ATOM 519 CB PRO A 33 20.319 -31.772 25.041 1.00 0.00 C ATOM 520 CG PRO A 33 21.518 -31.094 24.474 1.00 0.00 C ATOM 521 CD PRO A 33 20.994 -30.064 23.511 1.00 0.00 C ATOM 0 HA PRO A 33 18.232 -31.058 24.927 1.00 0.00 H new ATOM 0 HB2 PRO A 33 20.523 -32.172 26.034 1.00 0.00 H new ATOM 0 HB3 PRO A 33 20.006 -32.610 24.418 1.00 0.00 H new ATOM 0 HG2 PRO A 33 22.111 -30.627 25.261 1.00 0.00 H new ATOM 0 HG3 PRO A 33 22.167 -31.808 23.967 1.00 0.00 H new ATOM 0 HD2 PRO A 33 21.633 -29.182 23.480 1.00 0.00 H new ATOM 0 HD3 PRO A 33 20.940 -30.455 22.495 1.00 0.00 H new ATOM 529 N LYS A 34 19.771 -28.834 26.567 1.00 0.00 N ATOM 530 CA LYS A 34 19.803 -28.103 27.829 1.00 0.00 C ATOM 531 C LYS A 34 19.352 -26.660 27.633 1.00 0.00 C ATOM 532 O LYS A 34 20.135 -25.725 27.802 1.00 0.00 O ATOM 533 CB LYS A 34 21.213 -28.132 28.423 1.00 0.00 C ATOM 534 CG LYS A 34 21.865 -29.503 28.376 1.00 0.00 C ATOM 535 CD LYS A 34 23.065 -29.518 27.444 1.00 0.00 C ATOM 536 CE LYS A 34 23.650 -30.916 27.311 1.00 0.00 C ATOM 537 NZ LYS A 34 24.299 -31.368 28.573 1.00 0.00 N ATOM 0 H LYS A 34 20.211 -28.347 25.787 1.00 0.00 H new ATOM 0 HA LYS A 34 19.114 -28.590 28.520 1.00 0.00 H new ATOM 0 HB2 LYS A 34 21.840 -27.422 27.884 1.00 0.00 H new ATOM 0 HB3 LYS A 34 21.169 -27.795 29.459 1.00 0.00 H new ATOM 0 HG2 LYS A 34 22.179 -29.792 29.379 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.136 -30.242 28.044 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.768 -29.152 26.461 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.828 -28.837 27.821 1.00 0.00 H new ATOM 0 HE2 LYS A 34 22.860 -31.616 27.038 1.00 0.00 H new ATOM 0 HE3 LYS A 34 24.381 -30.929 26.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 24.744 -32.296 28.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.024 -30.678 28.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 23.583 -31.446 29.323 1.00 0.00 H new ATOM 551 N LYS A 35 18.084 -26.484 27.276 1.00 0.00 N ATOM 552 CA LYS A 35 17.526 -25.154 27.059 1.00 0.00 C ATOM 553 C LYS A 35 17.865 -24.227 28.222 1.00 0.00 C ATOM 554 O LYS A 35 18.283 -24.680 29.287 1.00 0.00 O ATOM 555 CB LYS A 35 16.008 -25.237 26.884 1.00 0.00 C ATOM 556 CG LYS A 35 15.566 -26.316 25.911 1.00 0.00 C ATOM 557 CD LYS A 35 15.038 -27.541 26.638 1.00 0.00 C ATOM 558 CE LYS A 35 13.518 -27.591 26.614 1.00 0.00 C ATOM 559 NZ LYS A 35 12.999 -28.917 27.050 1.00 0.00 N ATOM 0 H LYS A 35 17.423 -27.247 27.131 1.00 0.00 H new ATOM 0 HA LYS A 35 17.968 -24.745 26.150 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.549 -25.424 27.855 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.637 -24.273 26.537 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.791 -25.920 25.254 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.406 -26.602 25.277 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.440 -28.442 26.175 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.387 -27.531 27.671 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.119 -26.813 27.265 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.164 -27.376 25.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.959 -28.910 27.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.359 -29.657 26.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.316 -29.111 28.021 1.00 0.00 H new ATOM 573 N GLN A 36 17.680 -22.928 28.009 1.00 0.00 N ATOM 574 CA GLN A 36 17.966 -21.937 29.041 1.00 0.00 C ATOM 575 C GLN A 36 17.148 -22.210 30.299 1.00 0.00 C ATOM 576 O GLN A 36 16.205 -23.000 30.277 1.00 0.00 O ATOM 577 CB GLN A 36 17.670 -20.529 28.521 1.00 0.00 C ATOM 578 CG GLN A 36 16.318 -20.405 27.837 1.00 0.00 C ATOM 579 CD GLN A 36 15.605 -19.114 28.186 1.00 0.00 C ATOM 580 OE1 GLN A 36 14.845 -19.053 29.153 1.00 0.00 O ATOM 581 NE2 GLN A 36 15.845 -18.072 27.398 1.00 0.00 N ATOM 0 H GLN A 36 17.334 -22.537 27.133 1.00 0.00 H new ATOM 0 HA GLN A 36 19.024 -22.008 29.295 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.712 -19.827 29.354 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.451 -20.238 27.819 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.455 -20.460 26.757 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.692 -21.250 28.122 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.482 -18.167 26.607 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.392 -17.177 27.584 1.00 0.00 H new ATOM 590 N GLU A 37 17.517 -21.552 31.393 1.00 0.00 N ATOM 591 CA GLU A 37 16.817 -21.725 32.661 1.00 0.00 C ATOM 592 C GLU A 37 16.794 -23.194 33.072 1.00 0.00 C ATOM 593 O GLU A 37 17.823 -23.869 33.059 1.00 0.00 O ATOM 594 CB GLU A 37 15.387 -21.191 32.557 1.00 0.00 C ATOM 595 CG GLU A 37 14.980 -20.311 33.727 1.00 0.00 C ATOM 596 CD GLU A 37 15.050 -18.833 33.397 1.00 0.00 C ATOM 597 OE1 GLU A 37 16.168 -18.277 33.396 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.985 -18.232 33.140 1.00 0.00 O ATOM 0 H GLU A 37 18.296 -20.895 31.427 1.00 0.00 H new ATOM 0 HA GLU A 37 17.353 -21.160 33.423 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.287 -20.622 31.633 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.698 -22.033 32.489 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.964 -20.564 34.031 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.629 -20.521 34.577 1.00 0.00 H new TER 605 GLU A 37