USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 844 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 1 ALA N :NH3+ 143:sc= 1.07 (180deg=0) USER MOD Set 1.2: A 12 TYR OH : rot 30:sc= 0.97 USER MOD Single : A 4 ASN : amide:sc= -0.72 K(o=-0.72,f=-4.2!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.204 K(o=0.2,f=-9.4!) USER MOD Single : A 23 TYR OH : rot -131:sc= 0.595 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0949 USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= -0.0079 (180deg=-0.145) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0711 K(o=-0.071,f=-1.6) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 1.09 (180deg=1.08) USER MOD Single : A 40 ASN : amide:sc= 0.161 K(o=0.16,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00438) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.172 USER MOD Single : A 57 ASN : amide:sc= 0.717 K(o=0.72,f=-4.6!) USER MOD Single : A 64 SER OG : rot -111:sc= 0.923 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0879 F(o=-1.6,f=-0.088) USER MOD Single : A 77 TYR OH : rot 165:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.687 K(o=-0.69,f=-2.2) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 130:sc= 1.96 USER MOD Single : A 91 SER OG : rot 59:sc= 0.055 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0436) USER MOD Single : A 98 THR OG1 : rot 113:sc= 0.94 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.43) USER MOD Single : A 102 TYR OH : rot 15:sc= -0.193 USER MOD Single : A 104 THR OG1 : rot 31:sc= 0.683 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.301 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.732 3.809 10.604 1.00 0.00 N ATOM 2 CA ALA A 1 10.185 3.809 10.604 1.00 0.00 C ATOM 3 C ALA A 1 10.691 2.690 9.692 1.00 0.00 C ATOM 4 O ALA A 1 11.387 2.950 8.712 1.00 0.00 O ATOM 5 CB ALA A 1 10.696 3.668 12.040 1.00 0.00 C ATOM 0 H1 ALA A 1 8.385 4.043 11.556 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.385 4.516 9.925 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.385 2.867 10.331 1.00 0.00 H new ATOM 0 HA ALA A 1 10.569 4.751 10.213 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.786 3.668 12.040 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.333 4.503 12.639 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.333 2.732 12.465 1.00 0.00 H new ATOM 11 N VAL A 2 10.321 1.468 10.048 1.00 0.00 N ATOM 12 CA VAL A 2 10.520 0.338 9.157 1.00 0.00 C ATOM 13 C VAL A 2 9.374 -0.659 9.341 1.00 0.00 C ATOM 14 O VAL A 2 9.604 -1.823 9.662 1.00 0.00 O ATOM 15 CB VAL A 2 11.897 -0.284 9.400 1.00 0.00 C ATOM 16 CG1 VAL A 2 11.972 -0.925 10.787 1.00 0.00 C ATOM 17 CG2 VAL A 2 12.241 -1.299 8.308 1.00 0.00 C ATOM 0 H VAL A 2 9.885 1.236 10.941 1.00 0.00 H new ATOM 0 HA VAL A 2 10.504 0.664 8.117 1.00 0.00 H new ATOM 0 HB VAL A 2 12.637 0.515 9.360 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.961 -1.360 10.934 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.792 -0.166 11.549 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.217 -1.707 10.868 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.224 -1.726 8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.495 -2.094 8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.249 -0.801 7.338 1.00 0.00 H new ATOM 27 N ILE A 3 8.163 -0.164 9.128 1.00 0.00 N ATOM 28 CA ILE A 3 6.973 -0.934 9.450 1.00 0.00 C ATOM 29 C ILE A 3 6.265 -1.336 8.155 1.00 0.00 C ATOM 30 O ILE A 3 6.152 -0.533 7.230 1.00 0.00 O ATOM 31 CB ILE A 3 6.082 -0.160 10.424 1.00 0.00 C ATOM 32 CG1 ILE A 3 6.802 0.085 11.751 1.00 0.00 C ATOM 33 CG2 ILE A 3 4.741 -0.869 10.622 1.00 0.00 C ATOM 34 CD1 ILE A 3 6.770 -1.167 12.631 1.00 0.00 C ATOM 0 H ILE A 3 7.980 0.760 8.737 1.00 0.00 H new ATOM 0 HA ILE A 3 7.243 -1.856 9.965 1.00 0.00 H new ATOM 0 HB ILE A 3 5.869 0.816 9.989 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.836 0.374 11.560 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.331 0.916 12.277 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.127 -0.298 11.319 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.226 -0.947 9.665 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.913 -1.867 11.024 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.289 -0.966 13.568 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.735 -1.439 12.840 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.263 -1.989 12.112 1.00 0.00 H new ATOM 46 N ASN A 4 5.807 -2.579 8.130 1.00 0.00 N ATOM 47 CA ASN A 4 5.325 -3.174 6.895 1.00 0.00 C ATOM 48 C ASN A 4 4.409 -4.354 7.227 1.00 0.00 C ATOM 49 O ASN A 4 4.496 -5.408 6.598 1.00 0.00 O ATOM 50 CB ASN A 4 6.485 -3.699 6.047 1.00 0.00 C ATOM 51 CG ASN A 4 7.184 -4.870 6.740 1.00 0.00 C ATOM 52 OD1 ASN A 4 7.181 -4.999 7.954 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.783 -5.714 5.905 1.00 0.00 N ATOM 0 H ASN A 4 5.759 -3.190 8.945 1.00 0.00 H new ATOM 0 HA ASN A 4 4.790 -2.406 6.337 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.113 -4.017 5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.202 -2.897 5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.278 -6.528 6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.747 -5.548 4.899 1.00 0.00 H new ATOM 60 N THR A 5 3.552 -4.137 8.214 1.00 0.00 N ATOM 61 CA THR A 5 2.498 -5.092 8.512 1.00 0.00 C ATOM 62 C THR A 5 1.124 -4.442 8.339 1.00 0.00 C ATOM 63 O THR A 5 1.019 -3.219 8.251 1.00 0.00 O ATOM 64 CB THR A 5 2.739 -5.637 9.922 1.00 0.00 C ATOM 65 OG1 THR A 5 2.737 -4.475 10.748 1.00 0.00 O ATOM 66 CG2 THR A 5 4.145 -6.214 10.094 1.00 0.00 C ATOM 0 H THR A 5 3.566 -3.315 8.817 1.00 0.00 H new ATOM 0 HA THR A 5 2.516 -5.930 7.816 1.00 0.00 H new ATOM 0 HB THR A 5 2.001 -6.408 10.145 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.885 -4.736 11.681 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.263 -6.587 11.111 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.291 -7.032 9.389 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.884 -5.435 9.905 1.00 0.00 H new ATOM 74 N PHE A 6 0.105 -5.288 8.295 1.00 0.00 N ATOM 75 CA PHE A 6 -1.252 -4.814 8.087 1.00 0.00 C ATOM 76 C PHE A 6 -1.679 -3.863 9.207 1.00 0.00 C ATOM 77 O PHE A 6 -2.189 -2.776 8.941 1.00 0.00 O ATOM 78 CB PHE A 6 -2.163 -6.044 8.104 1.00 0.00 C ATOM 79 CG PHE A 6 -2.048 -6.920 6.855 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.450 -6.440 5.648 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.543 -8.180 6.953 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.343 -7.254 4.489 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.437 -8.993 5.794 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.839 -8.513 4.586 1.00 0.00 C ATOM 0 H PHE A 6 0.192 -6.299 8.400 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.316 -4.273 7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.927 -6.647 8.981 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.197 -5.716 8.212 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.851 -5.440 5.571 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.223 -8.561 7.912 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.662 -6.873 3.530 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.037 -9.993 5.871 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.758 -9.132 3.705 1.00 0.00 H new ATOM 94 N ASP A 7 -1.455 -4.307 10.435 1.00 0.00 N ATOM 95 CA ASP A 7 -1.815 -3.511 11.596 1.00 0.00 C ATOM 96 C ASP A 7 -0.865 -2.316 11.704 1.00 0.00 C ATOM 97 O ASP A 7 -1.282 -1.218 12.069 1.00 0.00 O ATOM 98 CB ASP A 7 -1.695 -4.329 12.883 1.00 0.00 C ATOM 99 CG ASP A 7 -2.509 -5.624 12.905 1.00 0.00 C ATOM 100 OD1 ASP A 7 -2.148 -6.534 12.127 1.00 0.00 O ATOM 101 OD2 ASP A 7 -3.473 -5.675 13.699 1.00 0.00 O ATOM 0 H ASP A 7 -1.029 -5.208 10.651 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.847 -3.182 11.473 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.645 -4.575 13.043 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.008 -3.707 13.722 1.00 0.00 H new ATOM 106 N GLY A 8 0.394 -2.571 11.381 1.00 0.00 N ATOM 107 CA GLY A 8 1.448 -1.610 11.660 1.00 0.00 C ATOM 108 C GLY A 8 1.308 -0.371 10.773 1.00 0.00 C ATOM 109 O GLY A 8 1.366 0.756 11.262 1.00 0.00 O ATOM 0 H GLY A 8 0.708 -3.429 10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.410 -1.317 12.709 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.421 -2.073 11.494 1.00 0.00 H new ATOM 113 N VAL A 9 1.127 -0.622 9.485 1.00 0.00 N ATOM 114 CA VAL A 9 1.007 0.459 8.521 1.00 0.00 C ATOM 115 C VAL A 9 -0.323 1.184 8.737 1.00 0.00 C ATOM 116 O VAL A 9 -0.385 2.410 8.661 1.00 0.00 O ATOM 117 CB VAL A 9 1.167 -0.086 7.101 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.851 0.992 6.061 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.569 -0.659 6.888 1.00 0.00 C ATOM 0 H VAL A 9 1.060 -1.558 9.086 1.00 0.00 H new ATOM 0 HA VAL A 9 1.803 1.190 8.666 1.00 0.00 H new ATOM 0 HB VAL A 9 0.451 -0.897 6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.972 0.578 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.176 1.333 6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.532 1.834 6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.656 -1.040 5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.310 0.124 7.047 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.742 -1.471 7.595 1.00 0.00 H new ATOM 129 N ALA A 10 -1.354 0.396 9.003 1.00 0.00 N ATOM 130 CA ALA A 10 -2.677 0.948 9.241 1.00 0.00 C ATOM 131 C ALA A 10 -2.622 1.895 10.440 1.00 0.00 C ATOM 132 O ALA A 10 -3.287 2.930 10.450 1.00 0.00 O ATOM 133 CB ALA A 10 -3.677 -0.192 9.444 1.00 0.00 C ATOM 0 H ALA A 10 -1.300 -0.621 9.059 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.012 1.526 8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.669 0.222 9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.700 -0.819 8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.375 -0.793 10.302 1.00 0.00 H new ATOM 139 N ASP A 11 -1.822 1.509 11.423 1.00 0.00 N ATOM 140 CA ASP A 11 -1.665 2.315 12.622 1.00 0.00 C ATOM 141 C ASP A 11 -1.049 3.664 12.247 1.00 0.00 C ATOM 142 O ASP A 11 -1.548 4.712 12.652 1.00 0.00 O ATOM 143 CB ASP A 11 -0.735 1.632 13.627 1.00 0.00 C ATOM 144 CG ASP A 11 -1.425 1.082 14.876 1.00 0.00 C ATOM 145 OD1 ASP A 11 -1.854 -0.091 14.818 1.00 0.00 O ATOM 146 OD2 ASP A 11 -1.509 1.846 15.862 1.00 0.00 O ATOM 0 H ASP A 11 -1.275 0.648 11.414 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.649 2.445 13.073 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.220 0.813 13.124 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.028 2.346 13.937 1.00 0.00 H new ATOM 151 N TYR A 12 0.028 3.593 11.478 1.00 0.00 N ATOM 152 CA TYR A 12 0.760 4.791 11.104 1.00 0.00 C ATOM 153 C TYR A 12 -0.142 5.772 10.351 1.00 0.00 C ATOM 154 O TYR A 12 -0.079 6.979 10.579 1.00 0.00 O ATOM 155 CB TYR A 12 1.879 4.327 10.169 1.00 0.00 C ATOM 156 CG TYR A 12 3.264 4.309 10.819 1.00 0.00 C ATOM 157 CD1 TYR A 12 3.546 3.399 11.818 1.00 0.00 C ATOM 158 CD2 TYR A 12 4.232 5.202 10.405 1.00 0.00 C ATOM 159 CE1 TYR A 12 4.850 3.382 12.429 1.00 0.00 C ATOM 160 CE2 TYR A 12 5.535 5.185 11.016 1.00 0.00 C ATOM 161 CZ TYR A 12 5.780 4.276 11.998 1.00 0.00 C ATOM 162 OH TYR A 12 7.012 4.260 12.575 1.00 0.00 O ATOM 0 H TYR A 12 0.411 2.725 11.104 1.00 0.00 H new ATOM 0 HA TYR A 12 1.139 5.301 11.990 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.645 3.326 9.808 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.906 4.982 9.298 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.789 2.700 12.141 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.012 5.913 9.623 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.084 2.675 13.212 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.301 5.878 10.702 1.00 0.00 H new ATOM 0 HH TYR A 12 7.223 3.350 12.870 1.00 0.00 H new ATOM 172 N LEU A 13 -0.961 5.216 9.470 1.00 0.00 N ATOM 173 CA LEU A 13 -1.928 6.017 8.739 1.00 0.00 C ATOM 174 C LEU A 13 -2.829 6.754 9.732 1.00 0.00 C ATOM 175 O LEU A 13 -2.896 7.982 9.722 1.00 0.00 O ATOM 176 CB LEU A 13 -2.694 5.150 7.738 1.00 0.00 C ATOM 177 CG LEU A 13 -1.969 4.837 6.428 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.222 3.392 5.993 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.349 5.839 5.337 1.00 0.00 C ATOM 0 H LEU A 13 -0.975 4.221 9.246 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.421 6.777 8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.948 4.208 8.224 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.633 5.649 7.500 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.897 4.939 6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.695 3.196 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.860 2.711 6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.291 3.238 5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.819 5.593 4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.424 5.794 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.075 6.845 5.655 1.00 0.00 H new ATOM 191 N ILE A 14 -3.501 5.972 10.564 1.00 0.00 N ATOM 192 CA ILE A 14 -4.475 6.526 11.489 1.00 0.00 C ATOM 193 C ILE A 14 -3.813 7.624 12.324 1.00 0.00 C ATOM 194 O ILE A 14 -4.398 8.685 12.536 1.00 0.00 O ATOM 195 CB ILE A 14 -5.110 5.414 12.328 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.060 4.564 11.482 1.00 0.00 C ATOM 197 CG2 ILE A 14 -5.803 5.989 13.565 1.00 0.00 C ATOM 198 CD1 ILE A 14 -7.420 5.247 11.330 1.00 0.00 C ATOM 0 H ILE A 14 -3.390 4.959 10.617 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.296 6.991 10.944 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.316 4.756 12.680 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.623 4.394 10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.190 3.586 11.946 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.246 5.178 14.144 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.073 6.516 14.179 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.585 6.682 13.255 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.076 4.621 10.724 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.866 5.394 12.314 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.289 6.213 10.843 1.00 0.00 H new ATOM 210 N ARG A 15 -2.602 7.331 12.775 1.00 0.00 N ATOM 211 CA ARG A 15 -1.968 8.144 13.799 1.00 0.00 C ATOM 212 C ARG A 15 -1.433 9.442 13.190 1.00 0.00 C ATOM 213 O ARG A 15 -1.879 10.530 13.549 1.00 0.00 O ATOM 214 CB ARG A 15 -0.816 7.390 14.466 1.00 0.00 C ATOM 215 CG ARG A 15 -0.736 7.721 15.958 1.00 0.00 C ATOM 216 CD ARG A 15 0.447 7.007 16.615 1.00 0.00 C ATOM 217 NE ARG A 15 0.008 6.343 17.863 1.00 0.00 N ATOM 218 CZ ARG A 15 -0.466 5.091 17.921 1.00 0.00 C ATOM 219 NH1 ARG A 15 -0.751 4.429 16.791 1.00 0.00 N ATOM 220 NH2 ARG A 15 -0.655 4.500 19.109 1.00 0.00 N ATOM 0 H ARG A 15 -2.043 6.542 12.450 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.721 8.375 14.552 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.955 6.317 14.335 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.124 7.652 13.981 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.634 8.798 16.090 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.663 7.425 16.450 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.864 6.270 15.929 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.239 7.723 16.834 1.00 0.00 H new ATOM 0 HE ARG A 15 0.070 6.872 18.733 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.607 4.878 15.887 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.112 3.476 16.835 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.438 5.003 19.969 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.016 3.547 19.153 1.00 0.00 H new ATOM 234 N TYR A 16 -0.485 9.284 12.278 1.00 0.00 N ATOM 235 CA TYR A 16 0.271 10.420 11.779 1.00 0.00 C ATOM 236 C TYR A 16 -0.401 11.027 10.546 1.00 0.00 C ATOM 237 O TYR A 16 -0.034 12.116 10.107 1.00 0.00 O ATOM 238 CB TYR A 16 1.642 9.872 11.381 1.00 0.00 C ATOM 239 CG TYR A 16 2.370 9.136 12.508 1.00 0.00 C ATOM 240 CD1 TYR A 16 2.665 9.795 13.684 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.731 7.814 12.349 1.00 0.00 C ATOM 242 CE1 TYR A 16 3.350 9.103 14.745 1.00 0.00 C ATOM 243 CE2 TYR A 16 3.415 7.121 13.410 1.00 0.00 C ATOM 244 CZ TYR A 16 3.691 7.800 14.555 1.00 0.00 C ATOM 245 OH TYR A 16 4.338 7.146 15.557 1.00 0.00 O ATOM 0 H TYR A 16 -0.223 8.386 11.871 1.00 0.00 H new ATOM 0 HA TYR A 16 0.337 11.200 12.537 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.519 9.193 10.537 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.266 10.697 11.038 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.382 10.830 13.809 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.501 7.299 11.428 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.587 9.607 15.670 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.702 6.086 13.299 1.00 0.00 H new ATOM 0 HH TYR A 16 4.518 6.223 15.282 1.00 0.00 H new ATOM 255 N LYS A 17 -1.373 10.296 10.021 1.00 0.00 N ATOM 256 CA LYS A 17 -2.063 10.723 8.815 1.00 0.00 C ATOM 257 C LYS A 17 -1.094 10.673 7.633 1.00 0.00 C ATOM 258 O LYS A 17 -1.109 11.555 6.776 1.00 0.00 O ATOM 259 CB LYS A 17 -2.708 12.094 9.025 1.00 0.00 C ATOM 260 CG LYS A 17 -3.872 12.307 8.054 1.00 0.00 C ATOM 261 CD LYS A 17 -4.580 13.635 8.330 1.00 0.00 C ATOM 262 CE LYS A 17 -5.584 13.493 9.475 1.00 0.00 C ATOM 263 NZ LYS A 17 -6.310 14.765 9.689 1.00 0.00 N ATOM 0 H LYS A 17 -1.699 9.411 10.408 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.883 10.043 8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.066 12.178 10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.963 12.876 8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.502 12.294 7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.583 11.486 8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.844 14.399 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.095 13.971 7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.293 12.697 9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.064 13.206 10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.987 14.651 10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.631 15.516 9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.822 15.023 8.821 1.00 0.00 H new ATOM 277 N ARG A 18 -0.274 9.632 7.624 1.00 0.00 N ATOM 278 CA ARG A 18 0.544 9.334 6.461 1.00 0.00 C ATOM 279 C ARG A 18 1.078 7.902 6.541 1.00 0.00 C ATOM 280 O ARG A 18 0.960 7.249 7.576 1.00 0.00 O ATOM 281 CB ARG A 18 1.721 10.304 6.351 1.00 0.00 C ATOM 282 CG ARG A 18 2.339 10.574 7.724 1.00 0.00 C ATOM 283 CD ARG A 18 3.765 11.112 7.588 1.00 0.00 C ATOM 284 NE ARG A 18 4.406 11.189 8.920 1.00 0.00 N ATOM 285 CZ ARG A 18 4.831 10.123 9.612 1.00 0.00 C ATOM 286 NH1 ARG A 18 4.779 8.903 9.061 1.00 0.00 N ATOM 287 NH2 ARG A 18 5.307 10.278 10.855 1.00 0.00 N ATOM 0 H ARG A 18 -0.159 8.985 8.404 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.085 9.443 5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.477 9.890 5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.384 11.242 5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.726 11.293 8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.348 9.655 8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.346 10.463 6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.748 12.099 7.126 1.00 0.00 H new ATOM 0 HE ARG A 18 4.532 12.111 9.337 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.416 8.786 8.115 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.102 8.091 9.587 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.346 11.207 11.274 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.631 9.467 11.382 1.00 0.00 H new ATOM 301 N LEU A 19 1.652 7.456 5.433 1.00 0.00 N ATOM 302 CA LEU A 19 2.427 6.227 5.435 1.00 0.00 C ATOM 303 C LEU A 19 3.674 6.417 6.302 1.00 0.00 C ATOM 304 O LEU A 19 3.992 7.535 6.702 1.00 0.00 O ATOM 305 CB LEU A 19 2.735 5.785 4.003 1.00 0.00 C ATOM 306 CG LEU A 19 1.585 5.120 3.245 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.907 5.003 1.753 1.00 0.00 C ATOM 308 CD2 LEU A 19 1.232 3.765 3.863 1.00 0.00 C ATOM 0 H LEU A 19 1.596 7.924 4.528 1.00 0.00 H new ATOM 0 HA LEU A 19 1.851 5.414 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.061 6.657 3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.575 5.091 4.031 1.00 0.00 H new ATOM 0 HG LEU A 19 0.704 5.755 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.073 4.527 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.071 5.997 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.806 4.402 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.412 3.313 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.102 3.109 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.931 3.906 4.901 1.00 0.00 H new ATOM 320 N PRO A 20 4.365 5.277 6.572 1.00 0.00 N ATOM 321 CA PRO A 20 5.747 5.327 7.018 1.00 0.00 C ATOM 322 C PRO A 20 6.686 5.662 5.857 1.00 0.00 C ATOM 323 O PRO A 20 6.301 5.557 4.693 1.00 0.00 O ATOM 324 CB PRO A 20 6.015 3.959 7.624 1.00 0.00 C ATOM 325 CG PRO A 20 4.931 3.043 7.080 1.00 0.00 C ATOM 326 CD PRO A 20 3.851 3.915 6.462 1.00 0.00 C ATOM 0 HA PRO A 20 5.924 6.114 7.751 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.006 3.597 7.349 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.981 4.001 8.713 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.344 2.362 6.336 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.515 2.428 7.878 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.670 3.643 5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.904 3.806 6.990 1.00 0.00 H new ATOM 334 N ASP A 21 7.899 6.058 6.214 1.00 0.00 N ATOM 335 CA ASP A 21 8.796 6.679 5.254 1.00 0.00 C ATOM 336 C ASP A 21 9.643 5.598 4.581 1.00 0.00 C ATOM 337 O ASP A 21 10.503 5.903 3.755 1.00 0.00 O ATOM 338 CB ASP A 21 9.744 7.662 5.944 1.00 0.00 C ATOM 339 CG ASP A 21 10.571 8.534 4.997 1.00 0.00 C ATOM 340 OD1 ASP A 21 9.977 9.024 4.012 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.778 8.692 5.280 1.00 0.00 O ATOM 0 H ASP A 21 8.282 5.961 7.155 1.00 0.00 H new ATOM 0 HA ASP A 21 8.190 7.214 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.159 8.312 6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.424 7.100 6.583 1.00 0.00 H new ATOM 346 N ASN A 22 9.372 4.357 4.958 1.00 0.00 N ATOM 347 CA ASN A 22 10.111 3.231 4.414 1.00 0.00 C ATOM 348 C ASN A 22 9.503 2.828 3.070 1.00 0.00 C ATOM 349 O ASN A 22 10.113 2.080 2.308 1.00 0.00 O ATOM 350 CB ASN A 22 10.037 2.021 5.348 1.00 0.00 C ATOM 351 CG ASN A 22 8.592 1.549 5.520 1.00 0.00 C ATOM 352 OD1 ASN A 22 7.643 2.292 5.335 1.00 0.00 O ATOM 353 ND2 ASN A 22 8.480 0.274 5.882 1.00 0.00 N ATOM 0 H ASN A 22 8.650 4.107 5.634 1.00 0.00 H new ATOM 0 HA ASN A 22 11.151 3.535 4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.643 1.209 4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.457 2.281 6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.557 -0.137 6.021 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.317 -0.292 6.020 1.00 0.00 H new ATOM 360 N TYR A 23 8.308 3.342 2.819 1.00 0.00 N ATOM 361 CA TYR A 23 7.644 3.109 1.548 1.00 0.00 C ATOM 362 C TYR A 23 7.913 4.255 0.570 1.00 0.00 C ATOM 363 O TYR A 23 7.374 5.349 0.728 1.00 0.00 O ATOM 364 CB TYR A 23 6.147 3.059 1.857 1.00 0.00 C ATOM 365 CG TYR A 23 5.683 1.739 2.476 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.613 0.814 2.906 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.335 1.473 2.605 1.00 0.00 C ATOM 368 CE1 TYR A 23 6.176 -0.428 3.489 1.00 0.00 C ATOM 369 CE2 TYR A 23 3.898 0.231 3.188 1.00 0.00 C ATOM 370 CZ TYR A 23 4.840 -0.658 3.601 1.00 0.00 C ATOM 371 OH TYR A 23 4.428 -1.832 4.152 1.00 0.00 O ATOM 0 H TYR A 23 7.782 3.919 3.475 1.00 0.00 H new ATOM 0 HA TYR A 23 8.007 2.190 1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.899 3.874 2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.590 3.232 0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.668 1.022 2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.607 2.197 2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.893 -1.160 3.830 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.846 0.011 3.295 1.00 0.00 H new ATOM 0 HH TYR A 23 3.751 -2.244 3.576 1.00 0.00 H new ATOM 381 N ILE A 24 8.747 3.964 -0.418 1.00 0.00 N ATOM 382 CA ILE A 24 8.920 4.869 -1.542 1.00 0.00 C ATOM 383 C ILE A 24 7.923 4.503 -2.643 1.00 0.00 C ATOM 384 O ILE A 24 7.241 3.483 -2.555 1.00 0.00 O ATOM 385 CB ILE A 24 10.377 4.872 -2.007 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.804 3.482 -2.481 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.301 5.414 -0.915 1.00 0.00 C ATOM 388 CD1 ILE A 24 12.049 3.563 -3.368 1.00 0.00 C ATOM 0 H ILE A 24 9.310 3.115 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 24 8.703 5.895 -1.243 1.00 0.00 H new ATOM 0 HB ILE A 24 10.461 5.544 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.008 2.847 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.989 3.016 -3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.331 5.405 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.012 6.435 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.220 4.788 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.331 2.561 -3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.834 4.179 -4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.869 4.007 -2.804 1.00 0.00 H new ATOM 400 N THR A 25 7.870 5.356 -3.656 1.00 0.00 N ATOM 401 CA THR A 25 6.966 5.136 -4.772 1.00 0.00 C ATOM 402 C THR A 25 7.666 4.342 -5.877 1.00 0.00 C ATOM 403 O THR A 25 8.878 4.139 -5.828 1.00 0.00 O ATOM 404 CB THR A 25 6.451 6.499 -5.238 1.00 0.00 C ATOM 405 OG1 THR A 25 7.569 7.367 -5.076 1.00 0.00 O ATOM 406 CG2 THR A 25 5.391 7.077 -4.298 1.00 0.00 C ATOM 0 H THR A 25 8.438 6.200 -3.727 1.00 0.00 H new ATOM 0 HA THR A 25 6.109 4.532 -4.474 1.00 0.00 H new ATOM 0 HB THR A 25 6.035 6.406 -6.241 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.323 8.273 -5.357 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.059 8.045 -4.675 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.541 6.397 -4.246 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.817 7.202 -3.302 1.00 0.00 H new ATOM 414 N LYS A 26 6.872 3.913 -6.847 1.00 0.00 N ATOM 415 CA LYS A 26 7.408 3.190 -7.988 1.00 0.00 C ATOM 416 C LYS A 26 8.474 4.047 -8.674 1.00 0.00 C ATOM 417 O LYS A 26 9.535 3.546 -9.042 1.00 0.00 O ATOM 418 CB LYS A 26 6.279 2.749 -8.921 1.00 0.00 C ATOM 419 CG LYS A 26 5.439 1.641 -8.282 1.00 0.00 C ATOM 420 CD LYS A 26 4.204 1.330 -9.130 1.00 0.00 C ATOM 421 CE LYS A 26 3.328 0.274 -8.454 1.00 0.00 C ATOM 422 NZ LYS A 26 4.030 -1.028 -8.404 1.00 0.00 N ATOM 0 H LYS A 26 5.862 4.052 -6.866 1.00 0.00 H new ATOM 0 HA LYS A 26 7.897 2.272 -7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.643 3.602 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.698 2.395 -9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.043 0.741 -8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.130 1.945 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.627 2.241 -9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.513 0.976 -10.113 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.074 0.596 -7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.390 0.167 -9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.362 -1.772 -8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.414 -1.252 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.808 -0.977 -7.716 1.00 0.00 H new ATOM 436 N SER A 27 8.155 5.323 -8.825 1.00 0.00 N ATOM 437 CA SER A 27 9.013 6.226 -9.574 1.00 0.00 C ATOM 438 C SER A 27 10.401 6.279 -8.933 1.00 0.00 C ATOM 439 O SER A 27 11.408 6.382 -9.633 1.00 0.00 O ATOM 440 CB SER A 27 8.407 7.629 -9.645 1.00 0.00 C ATOM 441 OG SER A 27 7.089 7.615 -10.186 1.00 0.00 O ATOM 0 H SER A 27 7.314 5.754 -8.441 1.00 0.00 H new ATOM 0 HA SER A 27 9.104 5.847 -10.592 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.384 8.065 -8.646 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.043 8.268 -10.257 1.00 0.00 H new ATOM 0 HG SER A 27 6.737 8.529 -10.213 1.00 0.00 H new ATOM 447 N GLN A 28 10.411 6.207 -7.610 1.00 0.00 N ATOM 448 CA GLN A 28 11.647 6.361 -6.862 1.00 0.00 C ATOM 449 C GLN A 28 12.502 5.098 -6.982 1.00 0.00 C ATOM 450 O GLN A 28 13.707 5.180 -7.213 1.00 0.00 O ATOM 451 CB GLN A 28 11.361 6.693 -5.396 1.00 0.00 C ATOM 452 CG GLN A 28 10.746 8.087 -5.258 1.00 0.00 C ATOM 453 CD GLN A 28 11.810 9.174 -5.419 1.00 0.00 C ATOM 454 OE1 GLN A 28 12.992 8.907 -5.560 1.00 0.00 O ATOM 455 NE2 GLN A 28 11.326 10.413 -5.391 1.00 0.00 N ATOM 0 H GLN A 28 9.583 6.044 -7.037 1.00 0.00 H new ATOM 0 HA GLN A 28 12.206 7.195 -7.288 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.683 5.950 -4.977 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.285 6.641 -4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.968 8.221 -6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.268 8.183 -4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.325 10.567 -5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.956 11.209 -5.491 1.00 0.00 H new ATOM 464 N ALA A 29 11.845 3.959 -6.819 1.00 0.00 N ATOM 465 CA ALA A 29 12.499 2.680 -7.038 1.00 0.00 C ATOM 466 C ALA A 29 13.130 2.667 -8.431 1.00 0.00 C ATOM 467 O ALA A 29 14.274 2.244 -8.594 1.00 0.00 O ATOM 468 CB ALA A 29 11.486 1.550 -6.845 1.00 0.00 C ATOM 0 H ALA A 29 10.867 3.895 -6.538 1.00 0.00 H new ATOM 0 HA ALA A 29 13.299 2.528 -6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.976 0.590 -7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.089 1.586 -5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.670 1.667 -7.558 1.00 0.00 H new ATOM 474 N SER A 30 12.358 3.134 -9.401 1.00 0.00 N ATOM 475 CA SER A 30 12.788 3.089 -10.788 1.00 0.00 C ATOM 476 C SER A 30 14.036 3.954 -10.977 1.00 0.00 C ATOM 477 O SER A 30 14.951 3.579 -11.708 1.00 0.00 O ATOM 478 CB SER A 30 11.672 3.554 -11.726 1.00 0.00 C ATOM 479 OG SER A 30 10.962 2.458 -12.295 1.00 0.00 O ATOM 0 H SER A 30 11.437 3.546 -9.254 1.00 0.00 H new ATOM 0 HA SER A 30 13.029 2.056 -11.038 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.978 4.190 -11.176 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.099 4.163 -12.523 1.00 0.00 H new ATOM 0 HG SER A 30 10.257 2.796 -12.886 1.00 0.00 H new ATOM 485 N ALA A 31 14.032 5.096 -10.305 1.00 0.00 N ATOM 486 CA ALA A 31 15.167 6.002 -10.364 1.00 0.00 C ATOM 487 C ALA A 31 16.395 5.314 -9.764 1.00 0.00 C ATOM 488 O ALA A 31 17.511 5.497 -10.248 1.00 0.00 O ATOM 489 CB ALA A 31 14.818 7.305 -9.641 1.00 0.00 C ATOM 0 H ALA A 31 13.262 5.415 -9.717 1.00 0.00 H new ATOM 0 HA ALA A 31 15.403 6.255 -11.398 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.669 7.985 -9.685 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.957 7.769 -10.123 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.579 7.090 -8.599 1.00 0.00 H new ATOM 495 N LEU A 32 16.147 4.537 -8.720 1.00 0.00 N ATOM 496 CA LEU A 32 17.222 3.837 -8.037 1.00 0.00 C ATOM 497 C LEU A 32 17.674 2.649 -8.889 1.00 0.00 C ATOM 498 O LEU A 32 18.713 2.048 -8.621 1.00 0.00 O ATOM 499 CB LEU A 32 16.793 3.449 -6.621 1.00 0.00 C ATOM 500 CG LEU A 32 16.582 4.607 -5.643 1.00 0.00 C ATOM 501 CD1 LEU A 32 15.726 4.171 -4.452 1.00 0.00 C ATOM 502 CD2 LEU A 32 17.921 5.201 -5.200 1.00 0.00 C ATOM 0 H LEU A 32 15.218 4.377 -8.330 1.00 0.00 H new ATOM 0 HA LEU A 32 18.086 4.491 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.865 2.881 -6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.547 2.781 -6.205 1.00 0.00 H new ATOM 0 HG LEU A 32 16.035 5.395 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.592 5.013 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.753 3.833 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.223 3.356 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.743 6.022 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.515 4.431 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.460 5.573 -6.071 1.00 0.00 H new ATOM 514 N GLY A 33 16.872 2.347 -9.900 1.00 0.00 N ATOM 515 CA GLY A 33 17.317 1.477 -10.975 1.00 0.00 C ATOM 516 C GLY A 33 16.514 0.175 -10.994 1.00 0.00 C ATOM 517 O GLY A 33 16.801 -0.723 -11.784 1.00 0.00 O ATOM 0 H GLY A 33 15.916 2.690 -9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.209 1.989 -11.931 1.00 0.00 H new ATOM 0 HA3 GLY A 33 18.377 1.253 -10.852 1.00 0.00 H new ATOM 521 N TRP A 34 15.523 0.115 -10.116 1.00 0.00 N ATOM 522 CA TRP A 34 14.645 -1.041 -10.058 1.00 0.00 C ATOM 523 C TRP A 34 13.957 -1.182 -11.417 1.00 0.00 C ATOM 524 O TRP A 34 13.615 -0.184 -12.050 1.00 0.00 O ATOM 525 CB TRP A 34 13.655 -0.919 -8.897 1.00 0.00 C ATOM 526 CG TRP A 34 12.442 -1.844 -9.014 1.00 0.00 C ATOM 527 CD1 TRP A 34 12.404 -3.177 -8.881 1.00 0.00 C ATOM 528 CD2 TRP A 34 11.083 -1.447 -9.295 1.00 0.00 C ATOM 529 NE1 TRP A 34 11.126 -3.667 -9.055 1.00 0.00 N ATOM 530 CE2 TRP A 34 10.297 -2.582 -9.315 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.535 -0.173 -9.525 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.919 -2.555 -9.561 1.00 0.00 C ATOM 533 CZ3 TRP A 34 9.157 -0.164 -9.769 1.00 0.00 C ATOM 534 CH2 TRP A 34 8.352 -1.296 -9.793 1.00 0.00 C ATOM 0 H TRP A 34 15.309 0.848 -9.440 1.00 0.00 H new ATOM 0 HA TRP A 34 15.215 -1.949 -9.861 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.176 -1.136 -7.964 1.00 0.00 H new ATOM 0 HB3 TRP A 34 13.308 0.112 -8.836 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.266 -3.791 -8.665 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.842 -4.645 -9.003 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.131 0.728 -9.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.325 -3.457 -9.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.686 0.791 -9.952 1.00 0.00 H new ATOM 0 HH2 TRP A 34 7.294 -1.205 -9.990 1.00 0.00 H new ATOM 545 N VAL A 35 13.776 -2.428 -11.827 1.00 0.00 N ATOM 546 CA VAL A 35 12.948 -2.723 -12.984 1.00 0.00 C ATOM 547 C VAL A 35 11.951 -3.827 -12.624 1.00 0.00 C ATOM 548 O VAL A 35 12.319 -4.823 -12.003 1.00 0.00 O ATOM 549 CB VAL A 35 13.831 -3.082 -14.181 1.00 0.00 C ATOM 550 CG1 VAL A 35 12.988 -3.281 -15.443 1.00 0.00 C ATOM 551 CG2 VAL A 35 14.910 -2.020 -14.404 1.00 0.00 C ATOM 0 H VAL A 35 14.189 -3.246 -11.379 1.00 0.00 H new ATOM 0 HA VAL A 35 12.370 -1.845 -13.274 1.00 0.00 H new ATOM 0 HB VAL A 35 14.330 -4.025 -13.959 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.639 -3.535 -16.279 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.274 -4.089 -15.280 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.449 -2.361 -15.669 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.524 -2.299 -15.260 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.438 -1.056 -14.595 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.538 -1.947 -13.516 1.00 0.00 H new ATOM 561 N ALA A 36 10.708 -3.612 -13.030 1.00 0.00 N ATOM 562 CA ALA A 36 9.620 -4.472 -12.596 1.00 0.00 C ATOM 563 C ALA A 36 9.771 -5.847 -13.250 1.00 0.00 C ATOM 564 O ALA A 36 9.501 -6.870 -12.622 1.00 0.00 O ATOM 565 CB ALA A 36 8.282 -3.811 -12.932 1.00 0.00 C ATOM 0 H ALA A 36 10.430 -2.855 -13.655 1.00 0.00 H new ATOM 0 HA ALA A 36 9.651 -4.615 -11.516 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.466 -4.456 -12.607 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.212 -2.851 -12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.214 -3.655 -14.009 1.00 0.00 H new ATOM 571 N SER A 37 10.202 -5.828 -14.502 1.00 0.00 N ATOM 572 CA SER A 37 10.435 -7.062 -15.233 1.00 0.00 C ATOM 573 C SER A 37 11.513 -7.890 -14.531 1.00 0.00 C ATOM 574 O SER A 37 11.450 -9.119 -14.523 1.00 0.00 O ATOM 575 CB SER A 37 10.842 -6.777 -16.680 1.00 0.00 C ATOM 576 OG SER A 37 9.891 -5.956 -17.351 1.00 0.00 O ATOM 0 H SER A 37 10.396 -4.977 -15.030 1.00 0.00 H new ATOM 0 HA SER A 37 9.505 -7.630 -15.252 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.816 -6.288 -16.693 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.951 -7.719 -17.218 1.00 0.00 H new ATOM 0 HG SER A 37 10.188 -5.796 -18.271 1.00 0.00 H new ATOM 582 N LYS A 38 12.477 -7.184 -13.959 1.00 0.00 N ATOM 583 CA LYS A 38 13.557 -7.838 -13.240 1.00 0.00 C ATOM 584 C LYS A 38 13.058 -8.269 -11.859 1.00 0.00 C ATOM 585 O LYS A 38 11.856 -8.258 -11.599 1.00 0.00 O ATOM 586 CB LYS A 38 14.793 -6.937 -13.193 1.00 0.00 C ATOM 587 CG LYS A 38 16.065 -7.735 -13.486 1.00 0.00 C ATOM 588 CD LYS A 38 17.314 -6.920 -13.143 1.00 0.00 C ATOM 589 CE LYS A 38 17.626 -6.998 -11.647 1.00 0.00 C ATOM 590 NZ LYS A 38 18.840 -6.214 -11.330 1.00 0.00 N ATOM 0 H LYS A 38 12.533 -6.166 -13.979 1.00 0.00 H new ATOM 0 HA LYS A 38 13.869 -8.742 -13.763 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.689 -6.132 -13.921 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.870 -6.471 -12.211 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.060 -8.660 -12.909 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.088 -8.017 -14.539 1.00 0.00 H new ATOM 0 HD2 LYS A 38 18.164 -7.292 -13.715 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.165 -5.880 -13.433 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.781 -6.619 -11.073 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.770 -8.038 -11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.067 -6.319 -10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 19.636 -6.561 -11.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 18.671 -5.211 -11.545 1.00 0.00 H new ATOM 604 N GLY A 39 14.006 -8.638 -11.011 1.00 0.00 N ATOM 605 CA GLY A 39 13.684 -9.386 -9.808 1.00 0.00 C ATOM 606 C GLY A 39 13.157 -8.460 -8.710 1.00 0.00 C ATOM 607 O GLY A 39 12.517 -7.451 -8.999 1.00 0.00 O ATOM 0 H GLY A 39 14.998 -8.433 -11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.937 -10.146 -10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.572 -9.909 -9.452 1.00 0.00 H new ATOM 611 N ASN A 40 13.447 -8.837 -7.473 1.00 0.00 N ATOM 612 CA ASN A 40 12.758 -8.256 -6.333 1.00 0.00 C ATOM 613 C ASN A 40 13.315 -6.857 -6.064 1.00 0.00 C ATOM 614 O ASN A 40 14.363 -6.490 -6.593 1.00 0.00 O ATOM 615 CB ASN A 40 12.969 -9.099 -5.074 1.00 0.00 C ATOM 616 CG ASN A 40 14.455 -9.198 -4.723 1.00 0.00 C ATOM 617 OD1 ASN A 40 15.248 -9.792 -5.435 1.00 0.00 O ATOM 618 ND2 ASN A 40 14.785 -8.586 -3.590 1.00 0.00 N ATOM 0 H ASN A 40 14.149 -9.537 -7.235 1.00 0.00 H new ATOM 0 HA ASN A 40 11.694 -8.216 -6.567 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.423 -8.657 -4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.561 -10.098 -5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.753 -8.595 -3.269 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.070 -8.107 -3.042 1.00 0.00 H new ATOM 625 N LEU A 41 12.589 -6.113 -5.243 1.00 0.00 N ATOM 626 CA LEU A 41 12.912 -4.715 -5.016 1.00 0.00 C ATOM 627 C LEU A 41 14.238 -4.618 -4.259 1.00 0.00 C ATOM 628 O LEU A 41 15.176 -3.970 -4.722 1.00 0.00 O ATOM 629 CB LEU A 41 11.752 -4.003 -4.318 1.00 0.00 C ATOM 630 CG LEU A 41 11.727 -2.478 -4.443 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.584 -2.050 -5.905 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.635 -1.873 -3.559 1.00 0.00 C ATOM 0 H LEU A 41 11.778 -6.452 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 41 13.048 -4.197 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.817 -4.396 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.778 -4.260 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 41 12.681 -2.090 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.569 -0.962 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.426 -2.434 -6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.655 -2.449 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.639 -0.788 -3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.664 -2.264 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.823 -2.135 -2.518 1.00 0.00 H new ATOM 644 N ALA A 42 14.274 -5.272 -3.107 1.00 0.00 N ATOM 645 CA ALA A 42 15.325 -5.019 -2.136 1.00 0.00 C ATOM 646 C ALA A 42 16.687 -5.134 -2.824 1.00 0.00 C ATOM 647 O ALA A 42 17.647 -4.481 -2.419 1.00 0.00 O ATOM 648 CB ALA A 42 15.180 -5.991 -0.963 1.00 0.00 C ATOM 0 H ALA A 42 13.593 -5.976 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 42 15.243 -4.009 -1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 42 15.968 -5.802 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.208 -5.849 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.261 -7.015 -1.327 1.00 0.00 H new ATOM 654 N GLU A 43 16.727 -5.968 -3.852 1.00 0.00 N ATOM 655 CA GLU A 43 17.967 -6.215 -4.568 1.00 0.00 C ATOM 656 C GLU A 43 18.589 -4.893 -5.023 1.00 0.00 C ATOM 657 O GLU A 43 19.773 -4.650 -4.797 1.00 0.00 O ATOM 658 CB GLU A 43 17.736 -7.149 -5.758 1.00 0.00 C ATOM 659 CG GLU A 43 19.066 -7.608 -6.360 1.00 0.00 C ATOM 660 CD GLU A 43 19.449 -6.744 -7.564 1.00 0.00 C ATOM 661 OE1 GLU A 43 18.829 -6.948 -8.629 1.00 0.00 O ATOM 662 OE2 GLU A 43 20.354 -5.899 -7.391 1.00 0.00 O ATOM 0 H GLU A 43 15.920 -6.482 -4.207 1.00 0.00 H new ATOM 0 HA GLU A 43 18.663 -6.708 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.159 -8.016 -5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.146 -6.637 -6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.850 -7.553 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.990 -8.651 -6.666 1.00 0.00 H new ATOM 669 N VAL A 44 17.762 -4.073 -5.654 1.00 0.00 N ATOM 670 CA VAL A 44 18.251 -2.863 -6.294 1.00 0.00 C ATOM 671 C VAL A 44 18.071 -1.679 -5.341 1.00 0.00 C ATOM 672 O VAL A 44 18.929 -0.801 -5.268 1.00 0.00 O ATOM 673 CB VAL A 44 17.549 -2.661 -7.638 1.00 0.00 C ATOM 674 CG1 VAL A 44 18.070 -1.408 -8.346 1.00 0.00 C ATOM 675 CG2 VAL A 44 17.702 -3.896 -8.527 1.00 0.00 C ATOM 0 H VAL A 44 16.756 -4.222 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 44 19.316 -2.948 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 44 16.486 -2.518 -7.443 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.555 -1.288 -9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.886 -0.534 -7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 44 19.141 -1.509 -8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 44 17.194 -3.726 -9.476 1.00 0.00 H new ATOM 0 HG22 VAL A 44 18.760 -4.084 -8.710 1.00 0.00 H new ATOM 0 HG23 VAL A 44 17.261 -4.760 -8.029 1.00 0.00 H new ATOM 685 N ALA A 45 16.950 -1.694 -4.636 1.00 0.00 N ATOM 686 CA ALA A 45 16.657 -0.645 -3.673 1.00 0.00 C ATOM 687 C ALA A 45 16.294 -1.279 -2.329 1.00 0.00 C ATOM 688 O ALA A 45 15.120 -1.499 -2.039 1.00 0.00 O ATOM 689 CB ALA A 45 15.541 0.249 -4.216 1.00 0.00 C ATOM 0 H ALA A 45 16.233 -2.416 -4.712 1.00 0.00 H new ATOM 0 HA ALA A 45 17.532 -0.015 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.321 1.036 -3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.860 0.698 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.645 -0.349 -4.385 1.00 0.00 H new ATOM 695 N PRO A 46 17.353 -1.562 -1.523 1.00 0.00 N ATOM 696 CA PRO A 46 17.165 -2.241 -0.252 1.00 0.00 C ATOM 697 C PRO A 46 16.576 -1.293 0.795 1.00 0.00 C ATOM 698 O PRO A 46 16.797 -0.085 0.737 1.00 0.00 O ATOM 699 CB PRO A 46 18.543 -2.760 0.124 1.00 0.00 C ATOM 700 CG PRO A 46 19.531 -1.958 -0.708 1.00 0.00 C ATOM 701 CD PRO A 46 18.751 -1.243 -1.798 1.00 0.00 C ATOM 0 HA PRO A 46 16.449 -3.060 -0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.733 -2.629 1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.630 -3.826 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 46 20.060 -1.239 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.283 -2.615 -1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.925 -0.167 -1.769 1.00 0.00 H new ATOM 0 HD3 PRO A 46 19.048 -1.587 -2.789 1.00 0.00 H new ATOM 709 N GLY A 47 15.838 -1.878 1.727 1.00 0.00 N ATOM 710 CA GLY A 47 15.317 -1.120 2.852 1.00 0.00 C ATOM 711 C GLY A 47 14.015 -0.408 2.478 1.00 0.00 C ATOM 712 O GLY A 47 13.524 0.431 3.231 1.00 0.00 O ATOM 0 H GLY A 47 15.589 -2.867 1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.141 -1.788 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.056 -0.387 3.175 1.00 0.00 H new ATOM 716 N LYS A 48 13.494 -0.769 1.314 1.00 0.00 N ATOM 717 CA LYS A 48 12.394 -0.027 0.724 1.00 0.00 C ATOM 718 C LYS A 48 11.275 -0.998 0.343 1.00 0.00 C ATOM 719 O LYS A 48 11.539 -2.148 -0.006 1.00 0.00 O ATOM 720 CB LYS A 48 12.889 0.830 -0.443 1.00 0.00 C ATOM 721 CG LYS A 48 13.324 2.215 0.039 1.00 0.00 C ATOM 722 CD LYS A 48 14.813 2.232 0.388 1.00 0.00 C ATOM 723 CE LYS A 48 15.288 3.654 0.695 1.00 0.00 C ATOM 724 NZ LYS A 48 15.507 4.409 -0.559 1.00 0.00 N ATOM 0 H LYS A 48 13.814 -1.566 0.764 1.00 0.00 H new ATOM 0 HA LYS A 48 11.976 0.673 1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.725 0.333 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.097 0.932 -1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.120 2.954 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.739 2.500 0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.996 1.590 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.389 1.823 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.548 4.166 1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.212 3.619 1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.877 5.355 -0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.192 3.901 -1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.606 4.502 -1.070 1.00 0.00 H new ATOM 738 N SER A 49 10.050 -0.500 0.422 1.00 0.00 N ATOM 739 CA SER A 49 8.947 -1.109 -0.302 1.00 0.00 C ATOM 740 C SER A 49 8.245 -0.058 -1.165 1.00 0.00 C ATOM 741 O SER A 49 8.573 1.125 -1.098 1.00 0.00 O ATOM 742 CB SER A 49 7.949 -1.759 0.659 1.00 0.00 C ATOM 743 OG SER A 49 8.602 -2.506 1.681 1.00 0.00 O ATOM 0 H SER A 49 9.797 0.318 0.976 1.00 0.00 H new ATOM 0 HA SER A 49 9.350 -1.890 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.329 -0.987 1.114 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.282 -2.415 0.100 1.00 0.00 H new ATOM 0 HG SER A 49 7.931 -2.904 2.275 1.00 0.00 H new ATOM 749 N ILE A 50 7.291 -0.529 -1.955 1.00 0.00 N ATOM 750 CA ILE A 50 6.391 0.369 -2.659 1.00 0.00 C ATOM 751 C ILE A 50 5.237 0.758 -1.733 1.00 0.00 C ATOM 752 O ILE A 50 4.677 -0.093 -1.043 1.00 0.00 O ATOM 753 CB ILE A 50 5.936 -0.255 -3.980 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.133 -0.749 -4.794 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.065 0.719 -4.775 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.155 0.371 -5.003 1.00 0.00 C ATOM 0 H ILE A 50 7.122 -1.521 -2.123 1.00 0.00 H new ATOM 0 HA ILE A 50 6.907 1.290 -2.929 1.00 0.00 H new ATOM 0 HB ILE A 50 5.320 -1.125 -3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.606 -1.586 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.792 -1.120 -5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.755 0.251 -5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.183 0.979 -4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.635 1.622 -4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.996 -0.007 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.686 1.196 -5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.512 0.723 -4.035 1.00 0.00 H new ATOM 768 N GLY A 51 4.917 2.043 -1.746 1.00 0.00 N ATOM 769 CA GLY A 51 3.639 2.502 -1.229 1.00 0.00 C ATOM 770 C GLY A 51 3.435 3.992 -1.512 1.00 0.00 C ATOM 771 O GLY A 51 4.389 4.704 -1.821 1.00 0.00 O ATOM 0 H GLY A 51 5.521 2.782 -2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.832 1.928 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.592 2.323 -0.155 1.00 0.00 H new ATOM 775 N GLY A 52 2.186 4.418 -1.396 1.00 0.00 N ATOM 776 CA GLY A 52 1.837 5.798 -1.686 1.00 0.00 C ATOM 777 C GLY A 52 1.476 5.974 -3.163 1.00 0.00 C ATOM 778 O GLY A 52 1.320 7.097 -3.638 1.00 0.00 O ATOM 0 H GLY A 52 1.403 3.832 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.996 6.103 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.673 6.449 -1.432 1.00 0.00 H new ATOM 782 N ASP A 53 1.355 4.846 -3.847 1.00 0.00 N ATOM 783 CA ASP A 53 0.994 4.860 -5.254 1.00 0.00 C ATOM 784 C ASP A 53 -0.514 4.641 -5.391 1.00 0.00 C ATOM 785 O ASP A 53 -1.148 4.085 -4.496 1.00 0.00 O ATOM 786 CB ASP A 53 1.705 3.740 -6.017 1.00 0.00 C ATOM 787 CG ASP A 53 3.233 3.779 -5.947 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.759 3.462 -4.859 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.840 4.126 -6.983 1.00 0.00 O ATOM 0 H ASP A 53 1.501 3.916 -3.453 1.00 0.00 H new ATOM 0 HA ASP A 53 1.291 5.823 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.363 2.781 -5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.403 3.785 -7.063 1.00 0.00 H new ATOM 794 N VAL A 54 -1.045 5.090 -6.519 1.00 0.00 N ATOM 795 CA VAL A 54 -2.475 5.327 -6.631 1.00 0.00 C ATOM 796 C VAL A 54 -3.188 3.998 -6.891 1.00 0.00 C ATOM 797 O VAL A 54 -2.662 3.133 -7.589 1.00 0.00 O ATOM 798 CB VAL A 54 -2.748 6.374 -7.713 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.252 6.584 -7.904 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.047 7.694 -7.387 1.00 0.00 C ATOM 0 H VAL A 54 -0.511 5.296 -7.363 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.870 5.731 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.339 6.001 -8.652 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.419 7.333 -8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.716 5.644 -8.202 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.694 6.925 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.257 8.421 -8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.412 8.074 -6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.971 7.529 -7.324 1.00 0.00 H new ATOM 810 N PHE A 55 -4.376 3.879 -6.316 1.00 0.00 N ATOM 811 CA PHE A 55 -5.190 2.693 -6.520 1.00 0.00 C ATOM 812 C PHE A 55 -6.383 2.996 -7.428 1.00 0.00 C ATOM 813 O PHE A 55 -6.843 2.127 -8.167 1.00 0.00 O ATOM 814 CB PHE A 55 -5.707 2.264 -5.145 1.00 0.00 C ATOM 815 CG PHE A 55 -6.692 1.094 -5.188 1.00 0.00 C ATOM 816 CD1 PHE A 55 -8.025 1.331 -5.318 1.00 0.00 C ATOM 817 CD2 PHE A 55 -6.234 -0.184 -5.097 1.00 0.00 C ATOM 818 CE1 PHE A 55 -8.939 0.245 -5.358 1.00 0.00 C ATOM 819 CE2 PHE A 55 -7.148 -1.270 -5.137 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.481 -1.033 -5.266 1.00 0.00 C ATOM 0 H PHE A 55 -4.794 4.584 -5.709 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.596 1.911 -6.994 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.858 1.988 -4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.191 3.116 -4.668 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.388 2.345 -5.391 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.176 -0.372 -4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.997 0.433 -5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.785 -2.284 -5.065 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.176 -1.859 -5.295 1.00 0.00 H new ATOM 830 N SER A 56 -6.851 4.233 -7.344 1.00 0.00 N ATOM 831 CA SER A 56 -7.852 4.720 -8.277 1.00 0.00 C ATOM 832 C SER A 56 -9.243 4.250 -7.845 1.00 0.00 C ATOM 833 O SER A 56 -10.093 5.063 -7.487 1.00 0.00 O ATOM 834 CB SER A 56 -7.553 4.249 -9.702 1.00 0.00 C ATOM 835 OG SER A 56 -6.162 4.317 -10.005 1.00 0.00 O ATOM 0 H SER A 56 -6.555 4.913 -6.643 1.00 0.00 H new ATOM 0 HA SER A 56 -7.824 5.810 -8.269 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.901 3.224 -9.826 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.109 4.862 -10.411 1.00 0.00 H new ATOM 0 HG SER A 56 -6.011 4.007 -10.922 1.00 0.00 H new ATOM 841 N ASN A 57 -9.430 2.939 -7.891 1.00 0.00 N ATOM 842 CA ASN A 57 -10.754 2.366 -7.716 1.00 0.00 C ATOM 843 C ASN A 57 -11.660 2.828 -8.859 1.00 0.00 C ATOM 844 O ASN A 57 -11.861 4.027 -9.050 1.00 0.00 O ATOM 845 CB ASN A 57 -11.383 2.823 -6.399 1.00 0.00 C ATOM 846 CG ASN A 57 -12.525 1.894 -5.985 1.00 0.00 C ATOM 847 OD1 ASN A 57 -12.686 0.798 -6.497 1.00 0.00 O ATOM 848 ND2 ASN A 57 -13.308 2.390 -5.031 1.00 0.00 N ATOM 0 H ASN A 57 -8.687 2.258 -8.047 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.653 1.281 -7.709 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.624 2.843 -5.617 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.758 3.841 -6.505 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.098 1.846 -4.686 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.118 3.315 -4.645 1.00 0.00 H new ATOM 855 N ARG A 58 -12.183 1.854 -9.588 1.00 0.00 N ATOM 856 CA ARG A 58 -13.227 2.126 -10.562 1.00 0.00 C ATOM 857 C ARG A 58 -14.605 1.870 -9.949 1.00 0.00 C ATOM 858 O ARG A 58 -15.532 1.462 -10.646 1.00 0.00 O ATOM 859 CB ARG A 58 -13.060 1.252 -11.807 1.00 0.00 C ATOM 860 CG ARG A 58 -13.682 1.922 -13.034 1.00 0.00 C ATOM 861 CD ARG A 58 -13.554 1.028 -14.270 1.00 0.00 C ATOM 862 NE ARG A 58 -12.142 0.970 -14.708 1.00 0.00 N ATOM 863 CZ ARG A 58 -11.697 0.200 -15.711 1.00 0.00 C ATOM 864 NH1 ARG A 58 -12.560 -0.544 -16.417 1.00 0.00 N ATOM 865 NH2 ARG A 58 -10.391 0.173 -16.007 1.00 0.00 N ATOM 0 H ARG A 58 -11.904 0.875 -9.524 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.144 3.173 -10.853 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.001 1.067 -11.987 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.529 0.282 -11.641 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.734 2.136 -12.842 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.191 2.877 -13.219 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.914 0.025 -14.042 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.178 1.416 -15.076 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.465 1.553 -14.216 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.554 -0.524 -16.191 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.222 -1.130 -17.180 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.734 0.739 -15.469 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.053 -0.413 -16.770 1.00 0.00 H new ATOM 879 N GLU A 59 -14.696 2.121 -8.651 1.00 0.00 N ATOM 880 CA GLU A 59 -15.982 2.111 -7.975 1.00 0.00 C ATOM 881 C GLU A 59 -16.660 0.750 -8.145 1.00 0.00 C ATOM 882 O GLU A 59 -17.532 0.589 -8.998 1.00 0.00 O ATOM 883 CB GLU A 59 -16.880 3.239 -8.488 1.00 0.00 C ATOM 884 CG GLU A 59 -16.140 4.578 -8.473 1.00 0.00 C ATOM 885 CD GLU A 59 -17.117 5.746 -8.624 1.00 0.00 C ATOM 886 OE1 GLU A 59 -17.635 6.191 -7.577 1.00 0.00 O ATOM 887 OE2 GLU A 59 -17.324 6.166 -9.783 1.00 0.00 O ATOM 0 H GLU A 59 -13.900 2.333 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.813 2.281 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.210 3.013 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.775 3.307 -7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.586 4.681 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.410 4.603 -9.282 1.00 0.00 H new ATOM 894 N GLY A 60 -16.235 -0.195 -7.320 1.00 0.00 N ATOM 895 CA GLY A 60 -16.779 -1.541 -7.378 1.00 0.00 C ATOM 896 C GLY A 60 -16.489 -2.306 -6.085 1.00 0.00 C ATOM 897 O GLY A 60 -17.407 -2.638 -5.337 1.00 0.00 O ATOM 0 H GLY A 60 -15.519 -0.055 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.855 -1.495 -7.544 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.348 -2.075 -8.225 1.00 0.00 H new ATOM 901 N ARG A 61 -15.209 -2.564 -5.863 1.00 0.00 N ATOM 902 CA ARG A 61 -14.800 -3.438 -4.777 1.00 0.00 C ATOM 903 C ARG A 61 -14.730 -2.656 -3.463 1.00 0.00 C ATOM 904 O ARG A 61 -15.073 -3.181 -2.405 1.00 0.00 O ATOM 905 CB ARG A 61 -13.434 -4.067 -5.061 1.00 0.00 C ATOM 906 CG ARG A 61 -13.439 -4.807 -6.400 1.00 0.00 C ATOM 907 CD ARG A 61 -12.225 -4.419 -7.245 1.00 0.00 C ATOM 908 NE ARG A 61 -12.294 -2.984 -7.601 1.00 0.00 N ATOM 909 CZ ARG A 61 -13.150 -2.472 -8.496 1.00 0.00 C ATOM 910 NH1 ARG A 61 -13.856 -3.288 -9.290 1.00 0.00 N ATOM 911 NH2 ARG A 61 -13.300 -1.144 -8.597 1.00 0.00 N ATOM 0 H ARG A 61 -14.442 -2.183 -6.417 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.543 -4.231 -4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.668 -3.292 -5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.175 -4.759 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.436 -5.883 -6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.355 -4.575 -6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.307 -4.621 -6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.193 -5.026 -8.150 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.650 -2.345 -7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.742 -4.299 -9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.508 -2.899 -9.971 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.763 -0.523 -7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.952 -0.755 -9.278 1.00 0.00 H new ATOM 925 N LEU A 62 -14.283 -1.414 -3.574 1.00 0.00 N ATOM 926 CA LEU A 62 -14.366 -0.486 -2.459 1.00 0.00 C ATOM 927 C LEU A 62 -15.405 0.592 -2.773 1.00 0.00 C ATOM 928 O LEU A 62 -15.662 0.890 -3.938 1.00 0.00 O ATOM 929 CB LEU A 62 -12.982 0.073 -2.124 1.00 0.00 C ATOM 930 CG LEU A 62 -11.870 -0.960 -1.926 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.506 -0.375 -2.293 1.00 0.00 C ATOM 932 CD2 LEU A 62 -11.890 -1.521 -0.503 1.00 0.00 C ATOM 0 H LEU A 62 -13.862 -1.028 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.703 -1.001 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.683 0.751 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.063 0.669 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.054 -1.794 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.734 -1.130 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.512 -0.065 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.298 0.488 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.090 -2.253 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.744 -0.710 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -12.850 -2.001 -0.315 1.00 0.00 H new ATOM 944 N PRO A 63 -15.989 1.161 -1.685 1.00 0.00 N ATOM 945 CA PRO A 63 -17.075 2.116 -1.832 1.00 0.00 C ATOM 946 C PRO A 63 -16.551 3.473 -2.305 1.00 0.00 C ATOM 947 O PRO A 63 -15.388 3.806 -2.081 1.00 0.00 O ATOM 948 CB PRO A 63 -17.733 2.177 -0.464 1.00 0.00 C ATOM 949 CG PRO A 63 -16.714 1.614 0.514 1.00 0.00 C ATOM 950 CD PRO A 63 -15.633 0.913 -0.291 1.00 0.00 C ATOM 0 HA PRO A 63 -17.797 1.819 -2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.999 3.201 -0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.654 1.594 -0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.283 2.413 1.118 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.191 0.916 1.202 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.645 1.311 -0.058 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.607 -0.155 -0.073 1.00 0.00 H new ATOM 958 N SER A 64 -17.434 4.221 -2.950 1.00 0.00 N ATOM 959 CA SER A 64 -17.065 5.519 -3.489 1.00 0.00 C ATOM 960 C SER A 64 -18.321 6.351 -3.756 1.00 0.00 C ATOM 961 O SER A 64 -19.286 5.856 -4.337 1.00 0.00 O ATOM 962 CB SER A 64 -16.244 5.370 -4.771 1.00 0.00 C ATOM 963 OG SER A 64 -15.968 6.630 -5.377 1.00 0.00 O ATOM 0 H SER A 64 -18.405 3.953 -3.112 1.00 0.00 H new ATOM 0 HA SER A 64 -16.447 6.032 -2.752 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.306 4.863 -4.544 1.00 0.00 H new ATOM 0 HB3 SER A 64 -16.784 4.739 -5.476 1.00 0.00 H new ATOM 0 HG SER A 64 -16.471 6.707 -6.215 1.00 0.00 H new ATOM 969 N ALA A 65 -18.269 7.601 -3.319 1.00 0.00 N ATOM 970 CA ALA A 65 -19.371 8.520 -3.547 1.00 0.00 C ATOM 971 C ALA A 65 -18.836 9.953 -3.575 1.00 0.00 C ATOM 972 O ALA A 65 -17.918 10.291 -2.829 1.00 0.00 O ATOM 973 CB ALA A 65 -20.437 8.316 -2.469 1.00 0.00 C ATOM 0 H ALA A 65 -17.481 7.999 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 65 -19.841 8.325 -4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.264 9.005 -2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -20.805 7.291 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -20.003 8.506 -1.487 1.00 0.00 H new ATOM 979 N SER A 66 -19.433 10.757 -4.442 1.00 0.00 N ATOM 980 CA SER A 66 -18.967 12.118 -4.645 1.00 0.00 C ATOM 981 C SER A 66 -17.688 12.114 -5.485 1.00 0.00 C ATOM 982 O SER A 66 -17.638 12.729 -6.549 1.00 0.00 O ATOM 983 CB SER A 66 -18.721 12.821 -3.308 1.00 0.00 C ATOM 984 OG SER A 66 -18.870 14.234 -3.412 1.00 0.00 O ATOM 0 H SER A 66 -20.236 10.492 -5.012 1.00 0.00 H new ATOM 0 HA SER A 66 -19.742 12.669 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 66 -19.418 12.437 -2.563 1.00 0.00 H new ATOM 0 HB3 SER A 66 -17.716 12.587 -2.955 1.00 0.00 H new ATOM 0 HG SER A 66 -18.707 14.645 -2.538 1.00 0.00 H new ATOM 990 N GLY A 67 -16.686 11.414 -4.975 1.00 0.00 N ATOM 991 CA GLY A 67 -15.442 11.246 -5.707 1.00 0.00 C ATOM 992 C GLY A 67 -14.307 10.824 -4.771 1.00 0.00 C ATOM 993 O GLY A 67 -13.270 11.482 -4.710 1.00 0.00 O ATOM 0 H GLY A 67 -16.710 10.956 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.573 10.496 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.180 12.180 -6.204 1.00 0.00 H new ATOM 997 N ARG A 68 -14.543 9.728 -4.064 1.00 0.00 N ATOM 998 CA ARG A 68 -13.593 9.261 -3.069 1.00 0.00 C ATOM 999 C ARG A 68 -12.376 8.632 -3.751 1.00 0.00 C ATOM 1000 O ARG A 68 -12.520 7.747 -4.592 1.00 0.00 O ATOM 1001 CB ARG A 68 -14.234 8.232 -2.135 1.00 0.00 C ATOM 1002 CG ARG A 68 -13.559 8.242 -0.762 1.00 0.00 C ATOM 1003 CD ARG A 68 -13.860 6.953 0.006 1.00 0.00 C ATOM 1004 NE ARG A 68 -15.288 6.594 -0.149 1.00 0.00 N ATOM 1005 CZ ARG A 68 -16.300 7.292 0.383 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -16.049 8.271 1.262 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -17.563 7.011 0.035 1.00 0.00 N ATOM 0 H ARG A 68 -15.378 9.150 -4.161 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.279 10.123 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.296 8.449 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.156 7.238 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.482 8.354 -0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -13.906 9.101 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.231 6.144 -0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.622 7.085 1.062 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.515 5.763 -0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.087 8.485 1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.820 8.803 1.667 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.754 6.266 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.334 7.542 0.440 1.00 0.00 H new ATOM 1021 N THR A 69 -11.205 9.115 -3.362 1.00 0.00 N ATOM 1022 CA THR A 69 -9.968 8.666 -3.979 1.00 0.00 C ATOM 1023 C THR A 69 -9.232 7.695 -3.053 1.00 0.00 C ATOM 1024 O THR A 69 -9.449 7.702 -1.842 1.00 0.00 O ATOM 1025 CB THR A 69 -9.144 9.903 -4.342 1.00 0.00 C ATOM 1026 OG1 THR A 69 -10.071 10.754 -5.010 1.00 0.00 O ATOM 1027 CG2 THR A 69 -8.080 9.607 -5.401 1.00 0.00 C ATOM 0 H THR A 69 -11.087 9.813 -2.627 1.00 0.00 H new ATOM 0 HA THR A 69 -10.163 8.108 -4.895 1.00 0.00 H new ATOM 0 HB THR A 69 -8.665 10.296 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.620 11.582 -5.279 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.524 10.518 -5.622 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.396 8.846 -5.026 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.562 9.246 -6.310 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.377 6.884 -3.657 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.832 5.725 -2.971 1.00 0.00 C ATOM 1037 C TRP A 70 -6.338 5.644 -3.293 1.00 0.00 C ATOM 1038 O TRP A 70 -5.917 5.991 -4.396 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.595 4.454 -3.351 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.029 4.408 -2.821 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.113 5.018 -3.319 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.494 3.684 -1.662 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.238 4.742 -2.569 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.850 3.905 -1.530 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.793 2.870 -0.755 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.621 3.347 -0.503 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.577 2.320 0.265 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -11.943 2.532 0.412 1.00 0.00 C ATOM 0 H TRP A 70 -8.048 7.006 -4.615 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.951 5.824 -1.892 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.617 4.367 -4.437 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.051 3.589 -2.973 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.107 5.647 -4.197 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.181 5.089 -2.745 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.732 2.684 -0.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.681 3.535 -0.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.086 1.686 0.989 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.479 2.070 1.228 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.578 5.185 -2.310 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.173 4.885 -2.528 1.00 0.00 C ATOM 1061 C ARG A 71 -3.812 3.541 -1.892 1.00 0.00 C ATOM 1062 O ARG A 71 -4.391 3.154 -0.879 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.279 5.977 -1.937 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.439 7.292 -2.704 1.00 0.00 C ATOM 1065 CD ARG A 71 -2.578 8.395 -2.086 1.00 0.00 C ATOM 1066 NE ARG A 71 -2.523 9.562 -2.995 1.00 0.00 N ATOM 1067 CZ ARG A 71 -1.659 9.683 -4.011 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -0.849 8.663 -4.327 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -1.604 10.823 -4.713 1.00 0.00 N ATOM 0 H ARG A 71 -5.908 5.013 -1.360 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.007 4.838 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.532 6.131 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.238 5.657 -1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.156 7.146 -3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.486 7.596 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.991 8.693 -1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.571 8.021 -1.900 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.185 10.322 -2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.891 7.795 -3.794 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.191 8.755 -5.101 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.221 11.600 -4.474 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.946 10.914 -5.487 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.857 2.866 -2.515 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.477 1.533 -2.078 1.00 0.00 C ATOM 1085 C GLU A 72 -1.056 1.546 -1.511 1.00 0.00 C ATOM 1086 O GLU A 72 -0.310 2.502 -1.717 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.601 0.525 -3.222 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.758 0.954 -4.425 1.00 0.00 C ATOM 1089 CD GLU A 72 -1.465 -0.236 -5.341 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -0.546 -1.008 -4.992 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -2.166 -0.346 -6.370 1.00 0.00 O ATOM 0 H GLU A 72 -2.335 3.217 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.160 1.222 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.280 -0.459 -2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.646 0.434 -3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.284 1.728 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.821 1.391 -4.080 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.724 0.473 -0.808 1.00 0.00 N ATOM 1099 CA ALA A 73 0.625 0.302 -0.295 1.00 0.00 C ATOM 1100 C ALA A 73 0.881 -1.183 -0.030 1.00 0.00 C ATOM 1101 O ALA A 73 -0.049 -1.933 0.264 1.00 0.00 O ATOM 1102 CB ALA A 73 0.807 1.158 0.960 1.00 0.00 C ATOM 0 H ALA A 73 -1.366 -0.287 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 73 1.359 0.638 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.819 1.029 1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.644 2.207 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.088 0.848 1.719 1.00 0.00 H new ATOM 1108 N ASP A 74 2.145 -1.562 -0.144 1.00 0.00 N ATOM 1109 CA ASP A 74 2.519 -2.962 -0.030 1.00 0.00 C ATOM 1110 C ASP A 74 2.438 -3.390 1.437 1.00 0.00 C ATOM 1111 O ASP A 74 2.612 -2.569 2.337 1.00 0.00 O ATOM 1112 CB ASP A 74 3.954 -3.189 -0.510 1.00 0.00 C ATOM 1113 CG ASP A 74 4.194 -2.897 -1.992 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.205 -2.537 -2.667 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.361 -3.039 -2.417 1.00 0.00 O ATOM 0 H ASP A 74 2.923 -0.925 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 74 1.835 -3.545 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.622 -2.563 0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.228 -4.225 -0.310 1.00 0.00 H new ATOM 1120 N ILE A 75 2.174 -4.673 1.632 1.00 0.00 N ATOM 1121 CA ILE A 75 2.378 -5.290 2.931 1.00 0.00 C ATOM 1122 C ILE A 75 3.300 -6.502 2.776 1.00 0.00 C ATOM 1123 O ILE A 75 3.060 -7.364 1.933 1.00 0.00 O ATOM 1124 CB ILE A 75 1.035 -5.619 3.586 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.127 -4.388 3.623 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.236 -6.225 4.976 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.599 -3.391 4.683 1.00 0.00 C ATOM 0 H ILE A 75 1.820 -5.303 0.912 1.00 0.00 H new ATOM 0 HA ILE A 75 2.874 -4.595 3.608 1.00 0.00 H new ATOM 0 HB ILE A 75 0.533 -6.371 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.119 -3.908 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.897 -4.693 3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.266 -6.449 5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.818 -7.143 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.768 -5.515 5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.063 -2.525 4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.582 -3.867 5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.615 -3.069 4.453 1.00 0.00 H new ATOM 1139 N ASN A 76 4.334 -6.528 3.603 1.00 0.00 N ATOM 1140 CA ASN A 76 5.268 -7.642 3.599 1.00 0.00 C ATOM 1141 C ASN A 76 5.776 -7.870 2.175 1.00 0.00 C ATOM 1142 O ASN A 76 5.245 -8.709 1.449 1.00 0.00 O ATOM 1143 CB ASN A 76 4.590 -8.930 4.072 1.00 0.00 C ATOM 1144 CG ASN A 76 4.603 -9.028 5.598 1.00 0.00 C ATOM 1145 OD1 ASN A 76 3.964 -8.034 6.210 1.00 0.00 O flip ATOM 1146 ND2 ASN A 76 5.156 -9.945 6.183 1.00 0.00 N flip ATOM 0 H ASN A 76 4.546 -5.796 4.281 1.00 0.00 H new ATOM 0 HA ASN A 76 6.088 -7.398 4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.562 -8.958 3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.101 -9.792 3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.629 -10.677 5.653 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.145 -9.980 7.202 1.00 0.00 H new ATOM 1153 N TYR A 77 6.800 -7.108 1.817 1.00 0.00 N ATOM 1154 CA TYR A 77 7.513 -7.349 0.574 1.00 0.00 C ATOM 1155 C TYR A 77 8.950 -6.829 0.657 1.00 0.00 C ATOM 1156 O TYR A 77 9.200 -5.647 0.428 1.00 0.00 O ATOM 1157 CB TYR A 77 6.761 -6.564 -0.502 1.00 0.00 C ATOM 1158 CG TYR A 77 7.467 -6.536 -1.860 1.00 0.00 C ATOM 1159 CD1 TYR A 77 7.921 -7.711 -2.425 1.00 0.00 C ATOM 1160 CD2 TYR A 77 7.649 -5.338 -2.519 1.00 0.00 C ATOM 1161 CE1 TYR A 77 8.585 -7.685 -3.703 1.00 0.00 C ATOM 1162 CE2 TYR A 77 8.313 -5.312 -3.796 1.00 0.00 C ATOM 1163 CZ TYR A 77 8.748 -6.487 -4.325 1.00 0.00 C ATOM 1164 OH TYR A 77 9.376 -6.462 -5.531 1.00 0.00 O ATOM 0 H TYR A 77 7.152 -6.324 2.366 1.00 0.00 H new ATOM 0 HA TYR A 77 7.558 -8.416 0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 77 5.770 -6.999 -0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.618 -5.540 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.778 -8.649 -1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.293 -4.419 -2.077 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.945 -8.596 -4.157 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.462 -4.381 -4.322 1.00 0.00 H new ATOM 0 HH TYR A 77 9.215 -5.599 -5.966 1.00 0.00 H new ATOM 1174 N VAL A 78 9.856 -7.738 0.985 1.00 0.00 N ATOM 1175 CA VAL A 78 11.276 -7.444 0.899 1.00 0.00 C ATOM 1176 C VAL A 78 11.879 -8.206 -0.283 1.00 0.00 C ATOM 1177 O VAL A 78 12.499 -7.608 -1.161 1.00 0.00 O ATOM 1178 CB VAL A 78 11.959 -7.767 2.230 1.00 0.00 C ATOM 1179 CG1 VAL A 78 13.457 -7.460 2.166 1.00 0.00 C ATOM 1180 CG2 VAL A 78 11.294 -7.015 3.384 1.00 0.00 C ATOM 0 H VAL A 78 9.634 -8.679 1.311 1.00 0.00 H new ATOM 0 HA VAL A 78 11.436 -6.381 0.717 1.00 0.00 H new ATOM 0 HB VAL A 78 11.843 -8.835 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.919 -7.698 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.918 -8.060 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.603 -6.402 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.798 -7.262 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.364 -5.942 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.245 -7.304 3.450 1.00 0.00 H new ATOM 1190 N SER A 79 11.677 -9.516 -0.267 1.00 0.00 N ATOM 1191 CA SER A 79 12.279 -10.378 -1.269 1.00 0.00 C ATOM 1192 C SER A 79 11.301 -11.488 -1.661 1.00 0.00 C ATOM 1193 O SER A 79 10.405 -11.830 -0.891 1.00 0.00 O ATOM 1194 CB SER A 79 13.590 -10.982 -0.761 1.00 0.00 C ATOM 1195 OG SER A 79 13.438 -11.585 0.521 1.00 0.00 O ATOM 0 H SER A 79 11.105 -10.001 0.424 1.00 0.00 H new ATOM 0 HA SER A 79 12.505 -9.774 -2.148 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.946 -11.727 -1.472 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.351 -10.204 -0.708 1.00 0.00 H new ATOM 0 HG SER A 79 14.296 -11.960 0.810 1.00 0.00 H new ATOM 1201 N GLY A 80 11.506 -12.018 -2.858 1.00 0.00 N ATOM 1202 CA GLY A 80 10.561 -12.962 -3.430 1.00 0.00 C ATOM 1203 C GLY A 80 9.929 -12.400 -4.705 1.00 0.00 C ATOM 1204 O GLY A 80 10.572 -11.659 -5.446 1.00 0.00 O ATOM 0 H GLY A 80 12.313 -11.812 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.069 -13.900 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.781 -13.188 -2.702 1.00 0.00 H new ATOM 1208 N PHE A 81 8.676 -12.775 -4.921 1.00 0.00 N ATOM 1209 CA PHE A 81 7.901 -12.204 -6.009 1.00 0.00 C ATOM 1210 C PHE A 81 7.300 -10.856 -5.605 1.00 0.00 C ATOM 1211 O PHE A 81 7.353 -10.474 -4.437 1.00 0.00 O ATOM 1212 CB PHE A 81 6.767 -13.185 -6.314 1.00 0.00 C ATOM 1213 CG PHE A 81 7.233 -14.625 -6.537 1.00 0.00 C ATOM 1214 CD1 PHE A 81 7.981 -14.936 -7.630 1.00 0.00 C ATOM 1215 CD2 PHE A 81 6.900 -15.594 -5.643 1.00 0.00 C ATOM 1216 CE1 PHE A 81 8.413 -16.273 -7.837 1.00 0.00 C ATOM 1217 CE2 PHE A 81 7.332 -16.930 -5.850 1.00 0.00 C ATOM 1218 CZ PHE A 81 8.080 -17.241 -6.943 1.00 0.00 C ATOM 0 H PHE A 81 8.179 -13.467 -4.361 1.00 0.00 H new ATOM 0 HA PHE A 81 8.541 -12.041 -6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.054 -13.168 -5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.235 -12.844 -7.202 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.246 -14.167 -8.340 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.307 -15.347 -4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.006 -16.521 -8.705 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.067 -17.700 -5.140 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.409 -18.257 -7.100 1.00 0.00 H new ATOM 1228 N ARG A 82 6.741 -10.174 -6.594 1.00 0.00 N ATOM 1229 CA ARG A 82 6.259 -8.818 -6.388 1.00 0.00 C ATOM 1230 C ARG A 82 5.139 -8.805 -5.346 1.00 0.00 C ATOM 1231 O ARG A 82 4.487 -9.822 -5.118 1.00 0.00 O ATOM 1232 CB ARG A 82 5.739 -8.215 -7.695 1.00 0.00 C ATOM 1233 CG ARG A 82 6.887 -7.940 -8.667 1.00 0.00 C ATOM 1234 CD ARG A 82 6.588 -6.718 -9.538 1.00 0.00 C ATOM 1235 NE ARG A 82 5.402 -6.978 -10.385 1.00 0.00 N ATOM 1236 CZ ARG A 82 4.786 -6.045 -11.122 1.00 0.00 C ATOM 1237 NH1 ARG A 82 5.253 -4.789 -11.140 1.00 0.00 N ATOM 1238 NH2 ARG A 82 3.702 -6.366 -11.842 1.00 0.00 N ATOM 0 H ARG A 82 6.611 -10.534 -7.539 1.00 0.00 H new ATOM 0 HA ARG A 82 7.097 -8.218 -6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.024 -8.897 -8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.206 -7.288 -7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.809 -7.776 -8.109 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.048 -8.812 -9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.411 -5.846 -8.908 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.450 -6.488 -10.165 1.00 0.00 H new ATOM 0 HE ARG A 82 5.031 -7.928 -10.409 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.078 -4.544 -10.592 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.784 -4.078 -11.701 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.346 -7.322 -11.829 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.233 -5.655 -12.403 1.00 0.00 H new ATOM 1252 N ASN A 83 4.950 -7.641 -4.742 1.00 0.00 N ATOM 1253 CA ASN A 83 3.964 -7.498 -3.684 1.00 0.00 C ATOM 1254 C ASN A 83 2.599 -7.959 -4.199 1.00 0.00 C ATOM 1255 O ASN A 83 2.284 -7.784 -5.376 1.00 0.00 O ATOM 1256 CB ASN A 83 3.836 -6.039 -3.244 1.00 0.00 C ATOM 1257 CG ASN A 83 3.580 -5.125 -4.444 1.00 0.00 C ATOM 1258 OD1 ASN A 83 2.472 -5.002 -4.939 1.00 0.00 O ATOM 1259 ND2 ASN A 83 4.665 -4.492 -4.883 1.00 0.00 N ATOM 0 H ASN A 83 5.463 -6.788 -4.965 1.00 0.00 H new ATOM 0 HA ASN A 83 4.288 -8.102 -2.837 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.020 -5.942 -2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.747 -5.728 -2.733 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.599 -3.859 -5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.563 -4.640 -4.423 1.00 0.00 H new ATOM 1266 N ALA A 84 1.825 -8.538 -3.293 1.00 0.00 N ATOM 1267 CA ALA A 84 0.498 -9.018 -3.639 1.00 0.00 C ATOM 1268 C ALA A 84 -0.431 -8.848 -2.436 1.00 0.00 C ATOM 1269 O ALA A 84 -1.529 -8.309 -2.566 1.00 0.00 O ATOM 1270 CB ALA A 84 0.587 -10.472 -4.106 1.00 0.00 C ATOM 0 H ALA A 84 2.092 -8.686 -2.320 1.00 0.00 H new ATOM 0 HA ALA A 84 0.082 -8.436 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.408 -10.832 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.235 -10.534 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.998 -11.087 -3.305 1.00 0.00 H new ATOM 1276 N ASP A 85 0.043 -9.318 -1.292 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.506 -8.882 -0.019 1.00 0.00 C ATOM 1278 C ASP A 85 -0.346 -7.366 0.109 1.00 0.00 C ATOM 1279 O ASP A 85 0.766 -6.847 0.028 1.00 0.00 O ATOM 1280 CB ASP A 85 0.231 -9.536 1.152 1.00 0.00 C ATOM 1281 CG ASP A 85 -0.011 -11.038 1.311 1.00 0.00 C ATOM 1282 OD1 ASP A 85 0.412 -11.781 0.399 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.615 -11.409 2.341 1.00 0.00 O ATOM 0 H ASP A 85 0.801 -9.996 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.557 -9.169 0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.301 -9.367 1.028 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.066 -9.036 2.074 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.473 -6.698 0.306 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.543 -5.264 0.083 1.00 0.00 C ATOM 1290 C ARG A 86 -2.582 -4.632 1.011 1.00 0.00 C ATOM 1291 O ARG A 86 -3.421 -5.331 1.576 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.908 -4.950 -1.370 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.659 -4.629 -2.192 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.845 -5.039 -3.654 1.00 0.00 C ATOM 1295 NE ARG A 86 -0.416 -3.940 -4.547 1.00 0.00 N ATOM 1296 CZ ARG A 86 -0.118 -4.098 -5.844 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -0.295 -5.289 -6.432 1.00 0.00 N ATOM 1298 NH2 ARG A 86 0.357 -3.064 -6.553 1.00 0.00 N ATOM 0 H ARG A 86 -2.346 -7.124 0.618 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.559 -4.847 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.428 -5.801 -1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.596 -4.105 -1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.446 -3.562 -2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.201 -5.149 -1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.265 -5.937 -3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.891 -5.284 -3.841 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.342 -3.003 -4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.657 -6.075 -5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.068 -5.409 -7.419 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.491 -2.157 -6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.584 -3.184 -7.540 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.491 -3.317 1.139 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.433 -2.578 1.963 1.00 0.00 C ATOM 1314 C LEU A 87 -3.792 -1.264 1.267 1.00 0.00 C ATOM 1315 O LEU A 87 -2.910 -0.540 0.807 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.879 -2.394 3.377 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.713 -1.518 4.315 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -3.815 -2.147 5.706 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.160 -0.093 4.370 1.00 0.00 C ATOM 0 H LEU A 87 -1.779 -2.744 0.686 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.359 -3.140 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.768 -3.378 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.881 -1.963 3.302 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.725 -1.456 3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.413 -1.505 6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.289 -3.126 5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.817 -2.259 6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.771 0.509 5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.133 -0.115 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.182 0.345 3.372 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.088 -0.995 1.211 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.583 0.156 0.476 1.00 0.00 C ATOM 1333 C VAL A 88 -6.427 1.027 1.409 1.00 0.00 C ATOM 1334 O VAL A 88 -7.305 0.524 2.108 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.348 -0.305 -0.766 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.549 0.852 -1.747 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.639 -1.480 -1.442 1.00 0.00 C ATOM 0 H VAL A 88 -5.811 -1.555 1.663 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.754 0.768 0.121 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.332 -0.647 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.095 0.497 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.117 1.646 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.578 1.238 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.204 -1.788 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.636 -1.176 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.571 -2.314 -0.744 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.131 2.319 1.389 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.839 3.262 2.237 1.00 0.00 C ATOM 1349 C TYR A 89 -7.331 4.464 1.430 1.00 0.00 C ATOM 1350 O TYR A 89 -6.709 4.848 0.441 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.823 3.741 3.275 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.559 4.356 2.671 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -3.473 3.555 2.380 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -4.505 5.711 2.416 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -2.283 4.134 1.811 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -3.316 6.290 1.847 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.264 5.473 1.573 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.140 6.020 1.035 1.00 0.00 O ATOM 0 H TYR A 89 -5.410 2.734 0.799 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.710 2.790 2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.300 4.478 3.922 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.539 2.899 3.906 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.516 2.494 2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.355 6.337 2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.426 3.519 1.579 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.261 7.349 1.642 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.269 6.984 0.919 1.00 0.00 H new ATOM 1368 N SER A 90 -8.443 5.025 1.881 1.00 0.00 N ATOM 1369 CA SER A 90 -9.076 6.117 1.161 1.00 0.00 C ATOM 1370 C SER A 90 -8.522 7.457 1.649 1.00 0.00 C ATOM 1371 O SER A 90 -7.780 7.506 2.629 1.00 0.00 O ATOM 1372 CB SER A 90 -10.597 6.079 1.329 1.00 0.00 C ATOM 1373 OG SER A 90 -10.988 6.241 2.689 1.00 0.00 O ATOM 0 H SER A 90 -8.922 4.744 2.736 1.00 0.00 H new ATOM 0 HA SER A 90 -8.851 6.003 0.101 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.048 6.867 0.726 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.980 5.130 0.952 1.00 0.00 H new ATOM 0 HG SER A 90 -11.670 6.942 2.752 1.00 0.00 H new ATOM 1379 N SER A 91 -8.904 8.511 0.943 1.00 0.00 N ATOM 1380 CA SER A 91 -8.498 9.853 1.323 1.00 0.00 C ATOM 1381 C SER A 91 -8.970 10.160 2.746 1.00 0.00 C ATOM 1382 O SER A 91 -8.234 10.751 3.534 1.00 0.00 O ATOM 1383 CB SER A 91 -9.049 10.893 0.345 1.00 0.00 C ATOM 1384 OG SER A 91 -8.614 10.653 -0.990 1.00 0.00 O ATOM 0 H SER A 91 -9.490 8.463 0.110 1.00 0.00 H new ATOM 0 HA SER A 91 -7.410 9.903 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.138 10.881 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.731 11.888 0.657 1.00 0.00 H new ATOM 0 HG SER A 91 -8.908 9.763 -1.275 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.196 9.744 3.031 1.00 0.00 N ATOM 1391 CA ASP A 92 -10.811 10.050 4.311 1.00 0.00 C ATOM 1392 C ASP A 92 -10.569 8.890 5.279 1.00 0.00 C ATOM 1393 O ASP A 92 -11.193 8.819 6.336 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.323 10.236 4.164 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.049 9.091 3.456 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -12.814 7.932 3.861 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -13.824 9.400 2.525 1.00 0.00 O ATOM 0 H ASP A 92 -10.779 9.198 2.397 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.368 10.973 4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.756 10.363 5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.509 11.159 3.615 1.00 0.00 H new ATOM 1402 N TRP A 93 -9.661 8.010 4.882 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.044 7.094 5.826 1.00 0.00 C ATOM 1404 C TRP A 93 -10.094 6.060 6.237 1.00 0.00 C ATOM 1405 O TRP A 93 -10.391 5.907 7.421 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.453 7.851 7.018 1.00 0.00 C ATOM 1407 CG TRP A 93 -7.671 9.107 6.630 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -7.963 10.383 6.919 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.447 9.157 5.868 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -7.021 11.248 6.400 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.070 10.479 5.740 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -5.683 8.120 5.304 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -4.920 10.885 5.053 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.537 8.543 4.620 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.144 9.869 4.483 1.00 0.00 C ATOM 0 H TRP A 93 -9.338 7.912 3.919 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.204 6.574 5.365 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -9.261 8.132 7.694 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.794 7.181 7.571 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.827 10.695 7.487 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -7.023 12.264 6.485 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -5.958 7.079 5.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.646 11.926 4.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -3.915 7.786 4.167 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.244 10.114 3.939 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.629 5.377 5.235 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.269 4.092 5.463 1.00 0.00 C ATOM 1428 C LEU A 94 -10.394 2.981 4.880 1.00 0.00 C ATOM 1429 O LEU A 94 -10.075 2.995 3.693 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.697 4.101 4.915 1.00 0.00 C ATOM 1431 CG LEU A 94 -13.751 4.770 5.800 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -14.907 5.315 4.960 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.237 3.814 6.892 1.00 0.00 C ATOM 0 H LEU A 94 -10.632 5.689 4.264 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.363 3.897 6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.691 4.604 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.003 3.070 4.736 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.287 5.621 6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.642 5.785 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.527 6.052 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.378 4.497 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -14.985 4.314 7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -14.678 2.930 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.395 3.516 7.516 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.030 2.044 5.744 1.00 0.00 N ATOM 1446 CA ILE A 95 -8.892 1.181 5.476 1.00 0.00 C ATOM 1447 C ILE A 95 -9.389 -0.243 5.212 1.00 0.00 C ATOM 1448 O ILE A 95 -10.238 -0.753 5.941 1.00 0.00 O ATOM 1449 CB ILE A 95 -7.870 1.275 6.610 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -7.480 2.730 6.878 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.649 0.398 6.322 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -6.597 2.841 8.122 1.00 0.00 C ATOM 0 H ILE A 95 -10.503 1.864 6.630 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.368 1.508 4.578 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.334 0.893 7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.950 3.133 6.015 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.379 3.333 7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.938 0.483 7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.963 -0.641 6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.175 0.726 5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.334 3.885 8.290 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.138 2.460 8.988 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.688 2.257 7.976 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.837 -0.843 4.168 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.131 -2.233 3.863 1.00 0.00 C ATOM 1466 C TYR A 96 -7.856 -2.994 3.494 1.00 0.00 C ATOM 1467 O TYR A 96 -6.982 -2.457 2.815 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.066 -2.211 2.652 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.476 -1.706 2.964 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.726 -0.350 3.023 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.498 -2.607 3.186 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.053 0.125 3.317 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.825 -2.131 3.479 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.037 -0.789 3.530 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.291 -0.340 3.808 1.00 0.00 O ATOM 0 H TYR A 96 -8.188 -0.392 3.523 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.576 -2.729 4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.628 -1.580 1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.135 -3.218 2.240 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -10.926 0.355 2.849 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.302 -3.668 3.140 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.262 1.183 3.367 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.634 -2.825 3.654 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.891 -1.104 3.936 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.790 -4.234 3.957 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.623 -5.064 3.709 1.00 0.00 C ATOM 1487 C LYS A 97 -6.979 -6.144 2.686 1.00 0.00 C ATOM 1488 O LYS A 97 -8.155 -6.391 2.422 1.00 0.00 O ATOM 1489 CB LYS A 97 -6.073 -5.620 5.024 1.00 0.00 C ATOM 1490 CG LYS A 97 -6.976 -6.728 5.572 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.324 -8.102 5.400 1.00 0.00 C ATOM 1492 CE LYS A 97 -7.330 -9.223 5.669 1.00 0.00 C ATOM 1493 NZ LYS A 97 -7.783 -9.185 7.077 1.00 0.00 N ATOM 0 H LYS A 97 -8.525 -4.684 4.502 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.817 -4.470 3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.068 -6.010 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.991 -4.817 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.179 -6.548 6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.935 -6.709 5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.930 -8.197 4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.479 -8.195 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.186 -9.119 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.873 -10.189 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.371 -10.019 7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.956 -9.187 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.340 -8.322 7.239 1.00 0.00 H new ATOM 1507 N THR A 98 -5.942 -6.759 2.136 1.00 0.00 N ATOM 1508 CA THR A 98 -6.127 -7.909 1.269 1.00 0.00 C ATOM 1509 C THR A 98 -4.880 -8.795 1.284 1.00 0.00 C ATOM 1510 O THR A 98 -3.769 -8.306 1.485 1.00 0.00 O ATOM 1511 CB THR A 98 -6.491 -7.396 -0.126 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.490 -8.567 -0.938 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.393 -6.520 -0.733 1.00 0.00 C ATOM 0 H THR A 98 -4.970 -6.482 2.275 1.00 0.00 H new ATOM 0 HA THR A 98 -6.941 -8.542 1.621 1.00 0.00 H new ATOM 0 HB THR A 98 -7.420 -6.828 -0.073 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.402 -8.754 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.702 -6.183 -1.722 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.221 -5.655 -0.092 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.472 -7.097 -0.818 1.00 0.00 H new ATOM 1521 N THR A 99 -5.105 -10.083 1.068 1.00 0.00 N ATOM 1522 CA THR A 99 -4.007 -11.005 0.833 1.00 0.00 C ATOM 1523 C THR A 99 -4.096 -11.591 -0.578 1.00 0.00 C ATOM 1524 O THR A 99 -3.220 -12.346 -0.996 1.00 0.00 O ATOM 1525 CB THR A 99 -4.038 -12.067 1.934 1.00 0.00 C ATOM 1526 OG1 THR A 99 -5.110 -12.926 1.559 1.00 0.00 O ATOM 1527 CG2 THR A 99 -4.474 -11.496 3.286 1.00 0.00 C ATOM 0 H THR A 99 -6.031 -10.510 1.051 1.00 0.00 H new ATOM 0 HA THR A 99 -3.045 -10.495 0.880 1.00 0.00 H new ATOM 0 HB THR A 99 -3.050 -12.517 2.031 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.199 -13.645 2.219 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.479 -12.291 4.032 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.778 -10.715 3.593 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.476 -11.075 3.197 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.162 -11.220 -1.272 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.572 -11.950 -2.459 1.00 0.00 C ATOM 1537 C ASP A 100 -5.448 -11.039 -3.682 1.00 0.00 C ATOM 1538 O ASP A 100 -5.932 -11.374 -4.762 1.00 0.00 O ATOM 1539 CB ASP A 100 -7.031 -12.401 -2.351 1.00 0.00 C ATOM 1540 CG ASP A 100 -7.990 -11.355 -1.780 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -8.076 -10.269 -2.393 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.616 -11.666 -0.743 1.00 0.00 O ATOM 0 H ASP A 100 -5.754 -10.424 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.930 -12.825 -2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.381 -12.690 -3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.075 -13.292 -1.725 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.798 -9.904 -3.471 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.581 -8.954 -4.548 1.00 0.00 C ATOM 1549 C HIS A 101 -5.926 -8.552 -5.157 1.00 0.00 C ATOM 1550 O HIS A 101 -6.243 -8.939 -6.280 1.00 0.00 O ATOM 1551 CB HIS A 101 -3.607 -9.521 -5.584 1.00 0.00 C ATOM 1552 CG HIS A 101 -3.354 -8.602 -6.755 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -3.016 -7.268 -6.603 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -3.391 -8.839 -8.098 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -2.861 -6.736 -7.806 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -3.094 -7.711 -8.732 1.00 0.00 N ATOM 0 H HIS A 101 -4.414 -9.621 -2.569 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.116 -8.051 -4.153 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.658 -9.739 -5.094 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.999 -10.468 -5.956 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.623 -9.784 -8.566 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.597 -5.710 -8.017 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -3.048 -7.593 -9.744 1.00 0.00 H new ATOM 1564 N TYR A 102 -6.680 -7.781 -4.387 1.00 0.00 N ATOM 1565 CA TYR A 102 -7.831 -7.080 -4.930 1.00 0.00 C ATOM 1566 C TYR A 102 -8.807 -8.056 -5.590 1.00 0.00 C ATOM 1567 O TYR A 102 -9.316 -7.791 -6.678 1.00 0.00 O ATOM 1568 CB TYR A 102 -7.281 -6.129 -5.996 1.00 0.00 C ATOM 1569 CG TYR A 102 -6.126 -5.251 -5.510 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -6.028 -4.916 -4.175 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -5.183 -4.793 -6.407 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -4.941 -4.090 -3.718 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -4.096 -3.967 -5.950 1.00 0.00 C ATOM 1574 CZ TYR A 102 -4.029 -3.656 -4.628 1.00 0.00 C ATOM 1575 OH TYR A 102 -3.002 -2.875 -4.196 1.00 0.00 O ATOM 0 H TYR A 102 -6.516 -7.626 -3.392 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.369 -6.557 -4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.944 -6.714 -6.851 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.089 -5.487 -6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.767 -5.273 -3.473 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.260 -5.054 -7.452 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.852 -3.821 -2.676 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.351 -3.603 -6.642 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.939 -2.928 -3.219 1.00 0.00 H new ATOM 1585 N ALA A 103 -9.039 -9.165 -4.903 1.00 0.00 N ATOM 1586 CA ALA A 103 -10.210 -9.981 -5.173 1.00 0.00 C ATOM 1587 C ALA A 103 -11.286 -9.683 -4.127 1.00 0.00 C ATOM 1588 O ALA A 103 -12.411 -9.325 -4.473 1.00 0.00 O ATOM 1589 CB ALA A 103 -9.811 -11.458 -5.193 1.00 0.00 C ATOM 0 H ALA A 103 -8.436 -9.517 -4.160 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.626 -9.742 -6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.690 -12.070 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.067 -11.623 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.392 -11.735 -4.226 1.00 0.00 H new ATOM 1595 N THR A 104 -10.903 -9.841 -2.869 1.00 0.00 N ATOM 1596 CA THR A 104 -11.799 -9.527 -1.768 1.00 0.00 C ATOM 1597 C THR A 104 -11.071 -8.698 -0.708 1.00 0.00 C ATOM 1598 O THR A 104 -9.897 -8.936 -0.427 1.00 0.00 O ATOM 1599 CB THR A 104 -12.364 -10.842 -1.228 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.220 -11.680 -1.087 1.00 0.00 O ATOM 1601 CG2 THR A 104 -13.235 -11.570 -2.254 1.00 0.00 C ATOM 0 H THR A 104 -9.984 -10.182 -2.587 1.00 0.00 H new ATOM 0 HA THR A 104 -12.634 -8.910 -2.101 1.00 0.00 H new ATOM 0 HB THR A 104 -12.949 -10.644 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.436 -11.131 -0.875 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.611 -12.497 -1.820 1.00 0.00 H new ATOM 0 HG22 THR A 104 -14.075 -10.934 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.641 -11.798 -3.139 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.797 -7.742 -0.149 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.235 -6.876 0.874 1.00 0.00 C ATOM 1611 C PHE A 105 -11.874 -7.151 2.237 1.00 0.00 C ATOM 1612 O PHE A 105 -12.944 -7.753 2.315 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.544 -5.436 0.460 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.674 -4.918 -0.686 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -9.401 -4.506 -0.441 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -11.173 -4.868 -1.950 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -8.594 -4.024 -1.505 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -10.366 -4.387 -3.014 1.00 0.00 C ATOM 1619 CZ PHE A 105 -9.093 -3.975 -2.769 1.00 0.00 C ATOM 0 H PHE A 105 -12.770 -7.547 -0.385 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.163 -7.053 0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.591 -5.370 0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.414 -4.785 1.324 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.004 -4.546 0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -12.184 -5.194 -2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.584 -3.696 -1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -10.763 -4.348 -4.018 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.479 -3.609 -3.578 1.00 0.00 H new ATOM 1629 N THR A 106 -11.191 -6.698 3.277 1.00 0.00 N ATOM 1630 CA THR A 106 -11.780 -6.669 4.605 1.00 0.00 C ATOM 1631 C THR A 106 -11.372 -5.392 5.342 1.00 0.00 C ATOM 1632 O THR A 106 -10.195 -5.036 5.368 1.00 0.00 O ATOM 1633 CB THR A 106 -11.368 -7.950 5.333 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.796 -8.996 4.466 1.00 0.00 O ATOM 1635 CG2 THR A 106 -12.170 -8.178 6.616 1.00 0.00 C ATOM 0 H THR A 106 -10.234 -6.348 3.227 1.00 0.00 H new ATOM 0 HA THR A 106 -12.869 -6.643 4.555 1.00 0.00 H new ATOM 0 HB THR A 106 -10.305 -7.905 5.572 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.566 -9.863 4.861 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.838 -9.100 7.093 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.014 -7.341 7.296 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.230 -8.256 6.374 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.367 -4.739 5.924 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.133 -3.485 6.619 1.00 0.00 C ATOM 1645 C ARG A 107 -11.350 -3.731 7.910 1.00 0.00 C ATOM 1646 O ARG A 107 -11.586 -4.718 8.605 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.453 -2.788 6.957 1.00 0.00 C ATOM 1648 CG ARG A 107 -14.200 -3.537 8.063 1.00 0.00 C ATOM 1649 CD ARG A 107 -15.668 -3.109 8.119 1.00 0.00 C ATOM 1650 NE ARG A 107 -16.340 -3.756 9.269 1.00 0.00 N ATOM 1651 CZ ARG A 107 -17.627 -3.566 9.591 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -18.391 -2.754 8.847 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -18.150 -4.187 10.657 1.00 0.00 N ATOM 0 H ARG A 107 -13.337 -5.055 5.928 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.554 -2.842 5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -13.257 -1.764 7.275 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.077 -2.731 6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -14.137 -4.611 7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -13.724 -3.343 9.024 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.736 -2.025 8.210 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -16.171 -3.383 7.192 1.00 0.00 H new ATOM 0 HE ARG A 107 -15.789 -4.386 9.852 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.993 -2.281 8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -19.371 -2.609 9.092 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -17.569 -4.804 11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -19.130 -4.042 10.902 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.432 -2.818 8.191 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.687 -2.864 9.438 1.00 0.00 C ATOM 1669 C ILE A 108 -9.945 -1.579 10.228 1.00 0.00 C ATOM 1670 O ILE A 108 -10.070 -1.613 11.451 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.206 -3.133 9.168 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.407 -1.828 9.141 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -8.021 -3.945 7.884 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.223 -1.269 10.553 1.00 0.00 C ATOM 0 H ILE A 108 -10.187 -2.042 7.576 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.030 -3.694 10.056 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.813 -3.734 9.988 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.432 -2.003 8.686 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.922 -1.095 8.520 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.959 -4.122 7.715 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.538 -4.900 7.980 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.435 -3.392 7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.652 -0.342 10.506 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.199 -1.072 10.996 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.687 -1.995 11.164 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.016 -0.477 9.496 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.591 0.744 10.036 1.00 0.00 C ATOM 1688 C ARG A 109 -10.374 0.808 11.550 1.00 0.00 C ATOM 1689 O ARG A 109 -11.396 0.862 12.268 1.00 0.00 O ATOM 1690 CB ARG A 109 -12.089 0.826 9.739 1.00 0.00 C ATOM 1691 CG ARG A 109 -12.805 -0.454 10.172 1.00 0.00 C ATOM 1692 CD ARG A 109 -14.317 -0.234 10.259 1.00 0.00 C ATOM 1693 NE ARG A 109 -14.629 0.709 11.356 1.00 0.00 N ATOM 1694 CZ ARG A 109 -15.233 1.892 11.180 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -15.172 2.506 9.991 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -15.898 2.462 12.195 1.00 0.00 N ATOM 0 H ARG A 109 -9.685 -0.404 8.534 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.091 1.586 9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -12.520 1.682 10.259 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.243 0.990 8.673 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.590 -1.253 9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.425 -0.778 11.141 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.691 0.159 9.313 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.822 -1.185 10.431 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.368 0.442 12.305 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -14.665 2.073 9.219 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.632 3.407 9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.944 1.995 13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.358 3.363 12.062 1.00 0.00 H new TER 1710 ARG A 109