USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=28 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 Single : A 1 ALA N :NH3+ -115:sc= 0.122 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.373 K(o=-0.37,f=-3.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00379 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 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= -0.995 K(o=-0.99,f=-7!) USER MOD Single : A 23 TYR OH : rot -69:sc= 0.928 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) 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+ -176:sc= 0 (180deg=-0.0192) USER MOD Single : A 40 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= 1.22 (180deg=0.698) USER MOD Single : A 49 SER OG : rot -128:sc= 0.395 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0596 USER MOD Single : A 57 ASN : amide:sc= 0.465 K(o=0.47,f=-0.81) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 10:sc= 0.477 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0925 F(o=-1.7,f=-0.092) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.351 K(o=-0.35,f=-3.4) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 137:sc= 1.64 USER MOD Single : A 91 SER OG : rot 52:sc= 0.518 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 106:sc= 0.791 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 101 HIS : no HD1:sc= -0.0698 X(o=-0.07,f=-0.082) USER MOD Single : A 102 TYR OH : rot 16:sc= -0.151 USER MOD Single : A 104 THR OG1 : rot 38:sc= 0.594 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0624 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.628 -3.351 13.582 1.00 0.00 N ATOM 2 CA ALA A 1 12.196 -3.551 13.442 1.00 0.00 C ATOM 3 C ALA A 1 11.644 -2.561 12.414 1.00 0.00 C ATOM 4 O ALA A 1 12.267 -1.537 12.137 1.00 0.00 O ATOM 5 CB ALA A 1 11.524 -3.407 14.809 1.00 0.00 C ATOM 0 H1 ALA A 1 14.131 -4.198 13.249 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.921 -2.529 13.016 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.859 -3.182 14.582 1.00 0.00 H new ATOM 0 HA ALA A 1 11.983 -4.556 13.078 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.450 -3.557 14.704 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.929 -4.152 15.494 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.714 -2.409 15.205 1.00 0.00 H new ATOM 11 N VAL A 2 10.482 -2.901 11.877 1.00 0.00 N ATOM 12 CA VAL A 2 9.839 -2.053 10.888 1.00 0.00 C ATOM 13 C VAL A 2 8.327 -2.290 10.925 1.00 0.00 C ATOM 14 O VAL A 2 7.876 -3.403 11.190 1.00 0.00 O ATOM 15 CB VAL A 2 10.449 -2.303 9.507 1.00 0.00 C ATOM 16 CG1 VAL A 2 10.172 -3.732 9.036 1.00 0.00 C ATOM 17 CG2 VAL A 2 9.939 -1.282 8.489 1.00 0.00 C ATOM 0 H VAL A 2 9.969 -3.752 12.108 1.00 0.00 H new ATOM 0 HA VAL A 2 10.010 -1.001 11.118 1.00 0.00 H new ATOM 0 HB VAL A 2 11.529 -2.181 9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.616 -3.883 8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.606 -4.439 9.743 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.096 -3.893 8.977 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.388 -1.483 7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.854 -1.357 8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.210 -0.278 8.814 1.00 0.00 H new ATOM 27 N ILE A 3 7.587 -1.224 10.655 1.00 0.00 N ATOM 28 CA ILE A 3 6.140 -1.322 10.568 1.00 0.00 C ATOM 29 C ILE A 3 5.741 -1.644 9.126 1.00 0.00 C ATOM 30 O ILE A 3 5.930 -0.825 8.228 1.00 0.00 O ATOM 31 CB ILE A 3 5.483 -0.054 11.119 1.00 0.00 C ATOM 32 CG1 ILE A 3 5.860 0.165 12.586 1.00 0.00 C ATOM 33 CG2 ILE A 3 3.967 -0.089 10.915 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.451 1.563 13.054 1.00 0.00 C ATOM 0 H ILE A 3 7.962 -0.289 10.494 1.00 0.00 H new ATOM 0 HA ILE A 3 5.775 -2.139 11.191 1.00 0.00 H new ATOM 0 HB ILE A 3 5.863 0.800 10.558 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.373 -0.587 13.207 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.935 0.035 12.712 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.525 0.823 11.315 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.745 -0.163 9.850 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.550 -0.952 11.434 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.730 1.693 14.100 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.959 2.313 12.447 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.372 1.681 12.949 1.00 0.00 H new ATOM 46 N ASN A 4 5.196 -2.839 8.950 1.00 0.00 N ATOM 47 CA ASN A 4 4.859 -3.318 7.620 1.00 0.00 C ATOM 48 C ASN A 4 3.813 -4.429 7.734 1.00 0.00 C ATOM 49 O ASN A 4 3.843 -5.395 6.973 1.00 0.00 O ATOM 50 CB ASN A 4 6.088 -3.897 6.915 1.00 0.00 C ATOM 51 CG ASN A 4 6.570 -5.171 7.611 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.471 -5.326 8.817 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.097 -6.071 6.786 1.00 0.00 N ATOM 0 H ASN A 4 4.980 -3.489 9.706 1.00 0.00 H new ATOM 0 HA ASN A 4 4.477 -2.475 7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.846 -4.116 5.875 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.889 -3.158 6.907 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.449 -6.955 7.153 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.149 -5.877 5.786 1.00 0.00 H new ATOM 60 N THR A 5 2.912 -4.254 8.689 1.00 0.00 N ATOM 61 CA THR A 5 1.803 -5.179 8.851 1.00 0.00 C ATOM 62 C THR A 5 0.471 -4.456 8.646 1.00 0.00 C ATOM 63 O THR A 5 0.427 -3.227 8.608 1.00 0.00 O ATOM 64 CB THR A 5 1.932 -5.836 10.227 1.00 0.00 C ATOM 65 OG1 THR A 5 2.037 -4.736 11.128 1.00 0.00 O ATOM 66 CG2 THR A 5 3.256 -6.585 10.397 1.00 0.00 C ATOM 0 H THR A 5 2.927 -3.485 9.359 1.00 0.00 H new ATOM 0 HA THR A 5 1.830 -5.965 8.096 1.00 0.00 H new ATOM 0 HB THR A 5 1.103 -6.527 10.379 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.123 -5.071 12.045 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.296 -7.032 11.390 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.330 -7.369 9.643 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.086 -5.888 10.279 1.00 0.00 H new ATOM 74 N PHE A 6 -0.583 -5.249 8.518 1.00 0.00 N ATOM 75 CA PHE A 6 -1.868 -4.724 8.088 1.00 0.00 C ATOM 76 C PHE A 6 -2.422 -3.729 9.110 1.00 0.00 C ATOM 77 O PHE A 6 -2.737 -2.591 8.765 1.00 0.00 O ATOM 78 CB PHE A 6 -2.824 -5.913 7.981 1.00 0.00 C ATOM 79 CG PHE A 6 -2.530 -6.844 6.803 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.762 -6.424 5.530 1.00 0.00 C ATOM 81 CD2 PHE A 6 -2.036 -8.091 7.028 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.489 -7.288 4.437 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.763 -8.955 5.935 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.996 -8.535 4.662 1.00 0.00 C ATOM 0 H PHE A 6 -0.573 -6.252 8.705 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.758 -4.204 7.136 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.777 -6.488 8.906 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.844 -5.539 7.890 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.154 -5.434 5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.851 -8.424 8.039 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.673 -6.955 3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.371 -9.945 6.114 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.789 -9.192 3.830 1.00 0.00 H new ATOM 94 N ASP A 7 -2.525 -4.194 10.346 1.00 0.00 N ATOM 95 CA ASP A 7 -3.110 -3.387 11.403 1.00 0.00 C ATOM 96 C ASP A 7 -2.140 -2.264 11.777 1.00 0.00 C ATOM 97 O ASP A 7 -2.557 -1.222 12.281 1.00 0.00 O ATOM 98 CB ASP A 7 -3.369 -4.224 12.657 1.00 0.00 C ATOM 99 CG ASP A 7 -4.329 -5.399 12.462 1.00 0.00 C ATOM 100 OD1 ASP A 7 -4.960 -5.444 11.384 1.00 0.00 O ATOM 101 OD2 ASP A 7 -4.411 -6.226 13.396 1.00 0.00 O ATOM 0 H ASP A 7 -2.213 -5.120 10.639 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.055 -2.985 11.036 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.417 -4.609 13.022 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.769 -3.573 13.434 1.00 0.00 H new ATOM 106 N GLY A 8 -0.866 -2.514 11.515 1.00 0.00 N ATOM 107 CA GLY A 8 0.182 -1.619 11.975 1.00 0.00 C ATOM 108 C GLY A 8 0.291 -0.391 11.069 1.00 0.00 C ATOM 109 O GLY A 8 0.267 0.742 11.547 1.00 0.00 O ATOM 0 H GLY A 8 -0.536 -3.324 10.990 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.027 -1.304 12.997 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.135 -2.148 11.993 1.00 0.00 H new ATOM 113 N VAL A 9 0.408 -0.657 9.776 1.00 0.00 N ATOM 114 CA VAL A 9 0.429 0.411 8.791 1.00 0.00 C ATOM 115 C VAL A 9 -0.892 1.181 8.852 1.00 0.00 C ATOM 116 O VAL A 9 -0.906 2.406 8.740 1.00 0.00 O ATOM 117 CB VAL A 9 0.722 -0.163 7.403 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.535 0.900 6.319 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.128 -0.764 7.345 1.00 0.00 C ATOM 0 H VAL A 9 0.489 -1.597 9.388 1.00 0.00 H new ATOM 0 HA VAL A 9 1.229 1.118 9.012 1.00 0.00 H new ATOM 0 HB VAL A 9 0.007 -0.963 7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.750 0.466 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.493 1.261 6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.215 1.731 6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.311 -1.165 6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.864 0.009 7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.212 -1.565 8.079 1.00 0.00 H new ATOM 129 N ALA A 10 -1.970 0.431 9.031 1.00 0.00 N ATOM 130 CA ALA A 10 -3.290 1.030 9.127 1.00 0.00 C ATOM 131 C ALA A 10 -3.302 2.045 10.272 1.00 0.00 C ATOM 132 O ALA A 10 -3.838 3.143 10.127 1.00 0.00 O ATOM 133 CB ALA A 10 -4.337 -0.070 9.313 1.00 0.00 C ATOM 0 H ALA A 10 -1.956 -0.586 9.112 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.537 1.564 8.210 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.328 0.379 9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.307 -0.748 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.123 -0.625 10.226 1.00 0.00 H new ATOM 139 N ASP A 11 -2.705 1.643 11.384 1.00 0.00 N ATOM 140 CA ASP A 11 -2.655 2.498 12.558 1.00 0.00 C ATOM 141 C ASP A 11 -1.820 3.740 12.243 1.00 0.00 C ATOM 142 O ASP A 11 -2.178 4.849 12.637 1.00 0.00 O ATOM 143 CB ASP A 11 -2.001 1.775 13.738 1.00 0.00 C ATOM 144 CG ASP A 11 -2.958 1.382 14.865 1.00 0.00 C ATOM 145 OD1 ASP A 11 -3.726 0.420 14.649 1.00 0.00 O ATOM 146 OD2 ASP A 11 -2.899 2.052 15.919 1.00 0.00 O ATOM 0 H ASP A 11 -2.252 0.736 11.497 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.677 2.769 12.822 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.511 0.875 13.367 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.221 2.415 14.150 1.00 0.00 H new ATOM 151 N TYR A 12 -0.722 3.513 11.537 1.00 0.00 N ATOM 152 CA TYR A 12 0.245 4.571 11.297 1.00 0.00 C ATOM 153 C TYR A 12 -0.337 5.650 10.382 1.00 0.00 C ATOM 154 O TYR A 12 -0.019 6.829 10.526 1.00 0.00 O ATOM 155 CB TYR A 12 1.430 3.906 10.592 1.00 0.00 C ATOM 156 CG TYR A 12 2.714 4.737 10.617 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.935 5.695 9.647 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.651 4.530 11.608 1.00 0.00 C ATOM 159 CE1 TYR A 12 4.144 6.477 9.670 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.860 5.312 11.631 1.00 0.00 C ATOM 161 CZ TYR A 12 5.047 6.247 10.661 1.00 0.00 C ATOM 162 OH TYR A 12 6.188 6.986 10.682 1.00 0.00 O ATOM 0 H TYR A 12 -0.481 2.612 11.124 1.00 0.00 H new ATOM 0 HA TYR A 12 0.530 5.050 12.234 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.624 2.942 11.061 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.158 3.707 9.555 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.201 5.858 8.871 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.478 3.781 12.367 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.330 7.229 8.917 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.602 5.160 12.401 1.00 0.00 H new ATOM 0 HH TYR A 12 6.739 6.715 11.445 1.00 0.00 H new ATOM 172 N LEU A 13 -1.180 5.207 9.460 1.00 0.00 N ATOM 173 CA LEU A 13 -1.938 6.131 8.633 1.00 0.00 C ATOM 174 C LEU A 13 -2.780 7.039 9.531 1.00 0.00 C ATOM 175 O LEU A 13 -2.636 8.260 9.495 1.00 0.00 O ATOM 176 CB LEU A 13 -2.756 5.368 7.589 1.00 0.00 C ATOM 177 CG LEU A 13 -1.991 4.896 6.351 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.434 3.492 5.935 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.125 5.903 5.207 1.00 0.00 C ATOM 0 H LEU A 13 -1.355 4.221 9.268 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.266 6.776 8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.201 4.497 8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.577 6.006 7.263 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.933 4.837 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.875 3.181 5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.244 2.794 6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.499 3.500 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.572 5.544 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.177 6.018 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.722 6.866 5.521 1.00 0.00 H new ATOM 191 N ILE A 14 -3.641 6.408 10.316 1.00 0.00 N ATOM 192 CA ILE A 14 -4.584 7.147 11.139 1.00 0.00 C ATOM 193 C ILE A 14 -3.819 8.144 12.011 1.00 0.00 C ATOM 194 O ILE A 14 -4.249 9.285 12.179 1.00 0.00 O ATOM 195 CB ILE A 14 -5.468 6.185 11.935 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.486 5.495 11.024 1.00 0.00 C ATOM 197 CG2 ILE A 14 -6.141 6.902 13.107 1.00 0.00 C ATOM 198 CD1 ILE A 14 -7.693 6.400 10.768 1.00 0.00 C ATOM 0 H ILE A 14 -3.705 5.393 10.400 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.265 7.725 10.514 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.833 5.406 12.356 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.014 5.235 10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.816 4.563 11.482 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.764 6.196 13.656 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.378 7.307 13.772 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.761 7.715 12.729 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.401 5.886 10.118 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.177 6.638 11.715 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.362 7.321 10.288 1.00 0.00 H new ATOM 210 N ARG A 15 -2.699 7.678 12.545 1.00 0.00 N ATOM 211 CA ARG A 15 -1.983 8.433 13.559 1.00 0.00 C ATOM 212 C ARG A 15 -1.267 9.628 12.924 1.00 0.00 C ATOM 213 O ARG A 15 -1.602 10.777 13.206 1.00 0.00 O ATOM 214 CB ARG A 15 -0.956 7.555 14.276 1.00 0.00 C ATOM 215 CG ARG A 15 -0.835 7.946 15.750 1.00 0.00 C ATOM 216 CD ARG A 15 0.069 6.968 16.505 1.00 0.00 C ATOM 217 NE ARG A 15 -0.574 5.637 16.575 1.00 0.00 N ATOM 218 CZ ARG A 15 0.060 4.514 16.940 1.00 0.00 C ATOM 219 NH1 ARG A 15 1.320 4.574 17.391 1.00 0.00 N ATOM 220 NH2 ARG A 15 -0.566 3.333 16.855 1.00 0.00 N ATOM 0 H ARG A 15 -2.270 6.787 12.294 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.713 8.787 14.287 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.249 6.508 14.197 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.014 7.653 13.789 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.432 8.955 15.830 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.824 7.961 16.208 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.033 6.889 16.003 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.263 7.341 17.511 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.562 5.570 16.330 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.796 5.474 17.456 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.803 3.720 17.669 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.526 3.288 16.512 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.083 2.479 17.133 1.00 0.00 H new ATOM 234 N TYR A 16 -0.295 9.315 12.080 1.00 0.00 N ATOM 235 CA TYR A 16 0.636 10.323 11.604 1.00 0.00 C ATOM 236 C TYR A 16 0.138 10.960 10.305 1.00 0.00 C ATOM 237 O TYR A 16 0.711 11.940 9.831 1.00 0.00 O ATOM 238 CB TYR A 16 1.948 9.587 11.326 1.00 0.00 C ATOM 239 CG TYR A 16 2.600 8.985 12.572 1.00 0.00 C ATOM 240 CD1 TYR A 16 3.255 9.802 13.472 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.533 7.625 12.797 1.00 0.00 C ATOM 242 CE1 TYR A 16 3.868 9.235 14.645 1.00 0.00 C ATOM 243 CE2 TYR A 16 3.147 7.058 13.970 1.00 0.00 C ATOM 244 CZ TYR A 16 3.784 7.891 14.836 1.00 0.00 C ATOM 245 OH TYR A 16 4.363 7.356 15.944 1.00 0.00 O ATOM 0 H TYR A 16 -0.132 8.377 11.714 1.00 0.00 H new ATOM 0 HA TYR A 16 0.750 11.118 12.341 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.760 8.791 10.606 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.649 10.279 10.860 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.308 10.866 13.296 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.020 6.986 12.093 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.383 9.863 15.357 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.103 5.995 14.158 1.00 0.00 H new ATOM 0 HH TYR A 16 4.223 6.386 15.950 1.00 0.00 H new ATOM 255 N LYS A 17 -0.924 10.378 9.767 1.00 0.00 N ATOM 256 CA LYS A 17 -1.554 10.924 8.577 1.00 0.00 C ATOM 257 C LYS A 17 -0.607 10.765 7.386 1.00 0.00 C ATOM 258 O LYS A 17 -0.521 11.649 6.535 1.00 0.00 O ATOM 259 CB LYS A 17 -1.999 12.368 8.821 1.00 0.00 C ATOM 260 CG LYS A 17 -3.155 12.748 7.894 1.00 0.00 C ATOM 261 CD LYS A 17 -3.578 14.202 8.114 1.00 0.00 C ATOM 262 CE LYS A 17 -4.740 14.580 7.193 1.00 0.00 C ATOM 263 NZ LYS A 17 -5.146 15.985 7.421 1.00 0.00 N ATOM 0 H LYS A 17 -1.364 9.534 10.133 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.463 10.371 8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.307 12.487 9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.160 13.044 8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.855 12.606 6.856 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.003 12.087 8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.872 14.346 9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.732 14.863 7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.446 14.445 6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.586 13.917 7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.935 16.225 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.446 16.104 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.342 16.615 7.226 1.00 0.00 H new ATOM 277 N ARG A 18 0.079 9.632 7.363 1.00 0.00 N ATOM 278 CA ARG A 18 0.864 9.256 6.200 1.00 0.00 C ATOM 279 C ARG A 18 1.249 7.777 6.275 1.00 0.00 C ATOM 280 O ARG A 18 0.966 7.108 7.268 1.00 0.00 O ATOM 281 CB ARG A 18 2.134 10.102 6.094 1.00 0.00 C ATOM 282 CG ARG A 18 2.849 10.188 7.444 1.00 0.00 C ATOM 283 CD ARG A 18 4.311 10.604 7.265 1.00 0.00 C ATOM 284 NE ARG A 18 5.028 10.502 8.556 1.00 0.00 N ATOM 285 CZ ARG A 18 6.353 10.643 8.692 1.00 0.00 C ATOM 286 NH1 ARG A 18 7.103 10.979 7.634 1.00 0.00 N ATOM 287 NH2 ARG A 18 6.929 10.448 9.886 1.00 0.00 N ATOM 0 H ARG A 18 0.107 8.962 8.132 1.00 0.00 H new ATOM 0 HA ARG A 18 0.251 9.431 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.803 9.668 5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.880 11.104 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.338 10.907 8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.801 9.222 7.947 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.791 9.967 6.522 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.364 11.626 6.890 1.00 0.00 H new ATOM 0 HE ARG A 18 4.479 10.313 9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.665 11.127 6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.112 11.086 7.738 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.358 10.192 10.692 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.938 10.555 9.989 1.00 0.00 H new ATOM 301 N LEU A 19 1.889 7.310 5.213 1.00 0.00 N ATOM 302 CA LEU A 19 2.559 6.021 5.250 1.00 0.00 C ATOM 303 C LEU A 19 3.837 6.140 6.083 1.00 0.00 C ATOM 304 O LEU A 19 4.306 7.244 6.352 1.00 0.00 O ATOM 305 CB LEU A 19 2.796 5.500 3.831 1.00 0.00 C ATOM 306 CG LEU A 19 1.568 4.940 3.109 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.899 4.590 1.657 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.982 3.748 3.867 1.00 0.00 C ATOM 0 H LEU A 19 1.958 7.801 4.322 1.00 0.00 H new ATOM 0 HA LEU A 19 1.928 5.277 5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.207 6.312 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.555 4.719 3.874 1.00 0.00 H new ATOM 0 HG LEU A 19 0.802 5.715 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.010 4.194 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.234 5.486 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.690 3.840 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.111 3.370 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.732 2.961 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.685 4.063 4.867 1.00 0.00 H new ATOM 320 N PRO A 20 4.378 4.956 6.477 1.00 0.00 N ATOM 321 CA PRO A 20 5.742 4.885 6.974 1.00 0.00 C ATOM 322 C PRO A 20 6.750 5.005 5.830 1.00 0.00 C ATOM 323 O PRO A 20 6.383 4.897 4.661 1.00 0.00 O ATOM 324 CB PRO A 20 5.826 3.554 7.704 1.00 0.00 C ATOM 325 CG PRO A 20 4.658 2.725 7.194 1.00 0.00 C ATOM 326 CD PRO A 20 3.709 3.659 6.460 1.00 0.00 C ATOM 0 HA PRO A 20 5.989 5.708 7.645 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.775 3.057 7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.763 3.696 8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.011 1.938 6.527 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.147 2.235 8.023 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.530 3.319 5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.739 3.707 6.955 1.00 0.00 H new ATOM 334 N ASP A 21 8.001 5.225 6.206 1.00 0.00 N ATOM 335 CA ASP A 21 9.013 5.625 5.243 1.00 0.00 C ATOM 336 C ASP A 21 9.638 4.376 4.619 1.00 0.00 C ATOM 337 O ASP A 21 10.571 4.476 3.823 1.00 0.00 O ATOM 338 CB ASP A 21 10.129 6.425 5.918 1.00 0.00 C ATOM 339 CG ASP A 21 11.184 6.993 4.966 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.870 8.012 4.313 1.00 0.00 O ATOM 341 OD2 ASP A 21 12.280 6.395 4.911 1.00 0.00 O ATOM 0 H ASP A 21 8.337 5.134 7.165 1.00 0.00 H new ATOM 0 HA ASP A 21 8.532 6.244 4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.680 7.249 6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.626 5.784 6.646 1.00 0.00 H new ATOM 346 N ASN A 22 9.099 3.228 5.002 1.00 0.00 N ATOM 347 CA ASN A 22 9.577 1.963 4.472 1.00 0.00 C ATOM 348 C ASN A 22 8.950 1.721 3.097 1.00 0.00 C ATOM 349 O ASN A 22 9.285 0.751 2.420 1.00 0.00 O ATOM 350 CB ASN A 22 9.181 0.799 5.383 1.00 0.00 C ATOM 351 CG ASN A 22 7.660 0.646 5.447 1.00 0.00 C ATOM 352 OD1 ASN A 22 6.906 1.561 5.163 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.254 -0.560 5.834 1.00 0.00 N ATOM 0 H ASN A 22 8.335 3.148 5.673 1.00 0.00 H new ATOM 0 HA ASN A 22 10.664 2.015 4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.628 -0.124 5.014 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.576 0.966 6.385 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.257 -0.763 5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.939 -1.282 6.057 1.00 0.00 H new ATOM 360 N TYR A 23 8.052 2.622 2.726 1.00 0.00 N ATOM 361 CA TYR A 23 7.459 2.584 1.399 1.00 0.00 C ATOM 362 C TYR A 23 7.857 3.818 0.586 1.00 0.00 C ATOM 363 O TYR A 23 7.565 4.946 0.980 1.00 0.00 O ATOM 364 CB TYR A 23 5.944 2.596 1.614 1.00 0.00 C ATOM 365 CG TYR A 23 5.424 1.418 2.440 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.004 0.173 2.308 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.374 1.601 3.317 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.514 -0.936 3.085 1.00 0.00 C ATOM 369 CE2 TYR A 23 3.884 0.492 4.094 1.00 0.00 C ATOM 370 CZ TYR A 23 4.478 -0.722 3.940 1.00 0.00 C ATOM 371 OH TYR A 23 4.015 -1.769 4.674 1.00 0.00 O ATOM 0 H TYR A 23 7.721 3.382 3.320 1.00 0.00 H new ATOM 0 HA TYR A 23 7.797 1.704 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.665 3.526 2.110 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.449 2.592 0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.826 0.030 1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.920 2.576 3.420 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.959 -1.916 2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.063 0.621 4.784 1.00 0.00 H new ATOM 0 HH TYR A 23 3.576 -2.415 4.082 1.00 0.00 H new ATOM 381 N ILE A 24 8.517 3.561 -0.534 1.00 0.00 N ATOM 382 CA ILE A 24 8.670 4.577 -1.561 1.00 0.00 C ATOM 383 C ILE A 24 7.733 4.261 -2.729 1.00 0.00 C ATOM 384 O ILE A 24 7.171 3.170 -2.801 1.00 0.00 O ATOM 385 CB ILE A 24 10.139 4.708 -1.970 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.670 3.389 -2.535 1.00 0.00 C ATOM 387 CG2 ILE A 24 10.989 5.215 -0.804 1.00 0.00 C ATOM 388 CD1 ILE A 24 11.984 3.605 -3.290 1.00 0.00 C ATOM 0 H ILE A 24 8.952 2.664 -0.752 1.00 0.00 H new ATOM 0 HA ILE A 24 8.381 5.555 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 24 10.208 5.450 -2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.825 2.678 -1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.929 2.952 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.028 5.299 -1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.626 6.193 -0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.919 4.515 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.340 2.652 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.820 4.298 -4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.730 4.020 -2.612 1.00 0.00 H new ATOM 400 N THR A 25 7.593 5.237 -3.614 1.00 0.00 N ATOM 401 CA THR A 25 6.689 5.100 -4.743 1.00 0.00 C ATOM 402 C THR A 25 7.379 4.362 -5.892 1.00 0.00 C ATOM 403 O THR A 25 8.599 4.206 -5.890 1.00 0.00 O ATOM 404 CB THR A 25 6.195 6.496 -5.127 1.00 0.00 C ATOM 405 OG1 THR A 25 7.301 7.347 -4.838 1.00 0.00 O ATOM 406 CG2 THR A 25 5.086 7.000 -4.201 1.00 0.00 C ATOM 0 H THR A 25 8.091 6.126 -3.572 1.00 0.00 H new ATOM 0 HA THR A 25 5.821 4.494 -4.483 1.00 0.00 H new ATOM 0 HB THR A 25 5.832 6.482 -6.155 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.068 8.273 -5.059 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.772 7.995 -4.518 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.236 6.319 -4.247 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.459 7.046 -3.178 1.00 0.00 H new ATOM 414 N LYS A 26 6.569 3.928 -6.846 1.00 0.00 N ATOM 415 CA LYS A 26 7.093 3.272 -8.032 1.00 0.00 C ATOM 416 C LYS A 26 8.132 4.179 -8.693 1.00 0.00 C ATOM 417 O LYS A 26 9.183 3.710 -9.128 1.00 0.00 O ATOM 418 CB LYS A 26 5.952 2.861 -8.965 1.00 0.00 C ATOM 419 CG LYS A 26 5.103 1.753 -8.338 1.00 0.00 C ATOM 420 CD LYS A 26 3.776 1.592 -9.083 1.00 0.00 C ATOM 421 CE LYS A 26 2.847 0.625 -8.345 1.00 0.00 C ATOM 422 NZ LYS A 26 1.512 0.601 -8.983 1.00 0.00 N ATOM 0 H LYS A 26 5.553 4.018 -6.822 1.00 0.00 H new ATOM 0 HA LYS A 26 7.602 2.347 -7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.325 3.726 -9.182 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.360 2.517 -9.915 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.653 0.812 -8.360 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.910 1.986 -7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.291 2.563 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.963 1.224 -10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.277 -0.377 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.753 0.927 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.894 -0.060 -8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.097 1.554 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.605 0.292 -9.972 1.00 0.00 H new ATOM 436 N SER A 27 7.802 5.461 -8.750 1.00 0.00 N ATOM 437 CA SER A 27 8.638 6.419 -9.453 1.00 0.00 C ATOM 438 C SER A 27 10.034 6.453 -8.828 1.00 0.00 C ATOM 439 O SER A 27 11.032 6.583 -9.536 1.00 0.00 O ATOM 440 CB SER A 27 8.013 7.815 -9.433 1.00 0.00 C ATOM 441 OG SER A 27 6.699 7.820 -9.984 1.00 0.00 O ATOM 0 H SER A 27 6.967 5.859 -8.321 1.00 0.00 H new ATOM 0 HA SER A 27 8.720 6.103 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.977 8.181 -8.407 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.644 8.503 -9.995 1.00 0.00 H new ATOM 0 HG SER A 27 6.334 8.729 -9.951 1.00 0.00 H new ATOM 447 N GLN A 28 10.060 6.334 -7.509 1.00 0.00 N ATOM 448 CA GLN A 28 11.305 6.461 -6.770 1.00 0.00 C ATOM 449 C GLN A 28 12.156 5.201 -6.945 1.00 0.00 C ATOM 450 O GLN A 28 13.361 5.289 -7.180 1.00 0.00 O ATOM 451 CB GLN A 28 11.039 6.742 -5.290 1.00 0.00 C ATOM 452 CG GLN A 28 10.407 8.122 -5.100 1.00 0.00 C ATOM 453 CD GLN A 28 11.439 9.232 -5.309 1.00 0.00 C ATOM 454 OE1 GLN A 28 11.499 9.873 -6.345 1.00 0.00 O ATOM 455 NE2 GLN A 28 12.247 9.422 -4.269 1.00 0.00 N ATOM 0 H GLN A 28 9.239 6.151 -6.932 1.00 0.00 H new ATOM 0 HA GLN A 28 11.859 7.309 -7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.378 5.976 -4.884 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.973 6.686 -4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.584 8.249 -5.803 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.985 8.197 -4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.143 8.850 -3.431 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.971 10.140 -4.310 1.00 0.00 H new ATOM 464 N ALA A 29 11.497 4.059 -6.822 1.00 0.00 N ATOM 465 CA ALA A 29 12.139 2.789 -7.116 1.00 0.00 C ATOM 466 C ALA A 29 12.794 2.861 -8.497 1.00 0.00 C ATOM 467 O ALA A 29 13.958 2.495 -8.656 1.00 0.00 O ATOM 468 CB ALA A 29 11.110 1.661 -7.017 1.00 0.00 C ATOM 0 H ALA A 29 10.525 3.986 -6.523 1.00 0.00 H new ATOM 0 HA ALA A 29 12.924 2.579 -6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.592 0.709 -7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.696 1.633 -6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.308 1.836 -7.734 1.00 0.00 H new ATOM 474 N SER A 30 12.018 3.335 -9.461 1.00 0.00 N ATOM 475 CA SER A 30 12.461 3.337 -10.845 1.00 0.00 C ATOM 476 C SER A 30 13.673 4.255 -11.005 1.00 0.00 C ATOM 477 O SER A 30 14.622 3.919 -11.712 1.00 0.00 O ATOM 478 CB SER A 30 11.334 3.776 -11.782 1.00 0.00 C ATOM 479 OG SER A 30 10.671 2.664 -12.378 1.00 0.00 O ATOM 0 H SER A 30 11.086 3.720 -9.311 1.00 0.00 H new ATOM 0 HA SER A 30 12.746 2.320 -11.115 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.612 4.373 -11.225 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.742 4.417 -12.564 1.00 0.00 H new ATOM 0 HG SER A 30 9.957 2.986 -12.968 1.00 0.00 H new ATOM 485 N ALA A 31 13.602 5.398 -10.338 1.00 0.00 N ATOM 486 CA ALA A 31 14.656 6.393 -10.444 1.00 0.00 C ATOM 487 C ALA A 31 15.967 5.799 -9.925 1.00 0.00 C ATOM 488 O ALA A 31 17.031 6.048 -10.489 1.00 0.00 O ATOM 489 CB ALA A 31 14.246 7.654 -9.681 1.00 0.00 C ATOM 0 H ALA A 31 12.831 5.657 -9.722 1.00 0.00 H new ATOM 0 HA ALA A 31 14.812 6.677 -11.485 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.036 8.400 -9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.325 8.054 -10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.084 7.408 -8.632 1.00 0.00 H new ATOM 495 N LEU A 32 15.847 5.024 -8.857 1.00 0.00 N ATOM 496 CA LEU A 32 17.010 4.394 -8.255 1.00 0.00 C ATOM 497 C LEU A 32 17.545 3.315 -9.198 1.00 0.00 C ATOM 498 O LEU A 32 18.724 2.968 -9.144 1.00 0.00 O ATOM 499 CB LEU A 32 16.674 3.876 -6.855 1.00 0.00 C ATOM 500 CG LEU A 32 16.383 4.943 -5.797 1.00 0.00 C ATOM 501 CD1 LEU A 32 15.606 4.350 -4.620 1.00 0.00 C ATOM 502 CD2 LEU A 32 17.672 5.632 -5.345 1.00 0.00 C ATOM 0 H LEU A 32 14.962 4.818 -8.393 1.00 0.00 H new ATOM 0 HA LEU A 32 17.809 5.122 -8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.806 3.221 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.506 3.264 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 32 15.750 5.708 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.412 5.129 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.659 3.944 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.192 3.554 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.437 6.386 -4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.350 4.892 -4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.149 6.110 -6.201 1.00 0.00 H new ATOM 514 N GLY A 33 16.653 2.814 -10.040 1.00 0.00 N ATOM 515 CA GLY A 33 17.051 1.894 -11.092 1.00 0.00 C ATOM 516 C GLY A 33 16.439 0.510 -10.870 1.00 0.00 C ATOM 517 O GLY A 33 17.071 -0.506 -11.157 1.00 0.00 O ATOM 0 H GLY A 33 15.656 3.028 -10.015 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.736 2.284 -12.060 1.00 0.00 H new ATOM 0 HA3 GLY A 33 18.138 1.815 -11.119 1.00 0.00 H new ATOM 521 N TRP A 34 15.215 0.513 -10.362 1.00 0.00 N ATOM 522 CA TRP A 34 14.461 -0.720 -10.219 1.00 0.00 C ATOM 523 C TRP A 34 13.757 -1.001 -11.548 1.00 0.00 C ATOM 524 O TRP A 34 13.149 -0.106 -12.133 1.00 0.00 O ATOM 525 CB TRP A 34 13.494 -0.637 -9.036 1.00 0.00 C ATOM 526 CG TRP A 34 12.373 -1.678 -9.074 1.00 0.00 C ATOM 527 CD1 TRP A 34 12.471 -3.002 -8.895 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.973 -1.425 -9.315 1.00 0.00 C ATOM 529 NE1 TRP A 34 11.241 -3.619 -9.002 1.00 0.00 N ATOM 530 CE2 TRP A 34 10.301 -2.629 -9.265 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.296 -0.218 -9.566 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.919 -2.745 -9.458 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.915 -0.351 -9.756 1.00 0.00 C ATOM 534 CH2 TRP A 34 8.224 -1.556 -9.709 1.00 0.00 C ATOM 0 H TRP A 34 14.727 1.350 -10.044 1.00 0.00 H new ATOM 0 HA TRP A 34 15.125 -1.554 -9.994 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.057 -0.758 -8.111 1.00 0.00 H new ATOM 0 HB3 TRP A 34 13.051 0.358 -9.011 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.396 -3.521 -8.692 1.00 0.00 H new ATOM 0 HE1 TRP A 34 11.056 -4.617 -8.906 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.801 0.736 -9.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.416 -3.700 -9.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.347 0.546 -9.953 1.00 0.00 H new ATOM 0 HH2 TRP A 34 7.156 -1.575 -9.865 1.00 0.00 H new ATOM 545 N VAL A 35 13.863 -2.247 -11.985 1.00 0.00 N ATOM 546 CA VAL A 35 13.487 -2.597 -13.344 1.00 0.00 C ATOM 547 C VAL A 35 12.147 -3.336 -13.323 1.00 0.00 C ATOM 548 O VAL A 35 11.399 -3.300 -14.299 1.00 0.00 O ATOM 549 CB VAL A 35 14.605 -3.407 -14.004 1.00 0.00 C ATOM 550 CG1 VAL A 35 14.359 -3.557 -15.507 1.00 0.00 C ATOM 551 CG2 VAL A 35 15.972 -2.775 -13.733 1.00 0.00 C ATOM 0 H VAL A 35 14.204 -3.026 -11.422 1.00 0.00 H new ATOM 0 HA VAL A 35 13.354 -1.699 -13.947 1.00 0.00 H new ATOM 0 HB VAL A 35 14.603 -4.404 -13.563 1.00 0.00 H new ATOM 0 HG11 VAL A 35 15.168 -4.137 -15.952 1.00 0.00 H new ATOM 0 HG12 VAL A 35 13.412 -4.071 -15.671 1.00 0.00 H new ATOM 0 HG13 VAL A 35 14.322 -2.571 -15.970 1.00 0.00 H new ATOM 0 HG21 VAL A 35 16.749 -3.370 -14.213 1.00 0.00 H new ATOM 0 HG22 VAL A 35 15.990 -1.762 -14.135 1.00 0.00 H new ATOM 0 HG23 VAL A 35 16.151 -2.743 -12.658 1.00 0.00 H new ATOM 561 N ALA A 36 11.884 -3.988 -12.200 1.00 0.00 N ATOM 562 CA ALA A 36 10.747 -4.887 -12.105 1.00 0.00 C ATOM 563 C ALA A 36 11.060 -6.180 -12.861 1.00 0.00 C ATOM 564 O ALA A 36 11.162 -7.247 -12.257 1.00 0.00 O ATOM 565 CB ALA A 36 9.496 -4.187 -12.641 1.00 0.00 C ATOM 0 H ALA A 36 12.439 -3.911 -11.348 1.00 0.00 H new ATOM 0 HA ALA A 36 10.553 -5.151 -11.065 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.643 -4.862 -12.570 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.300 -3.291 -12.052 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.653 -3.909 -13.683 1.00 0.00 H new ATOM 571 N SER A 37 11.203 -6.042 -14.171 1.00 0.00 N ATOM 572 CA SER A 37 11.325 -7.203 -15.036 1.00 0.00 C ATOM 573 C SER A 37 12.545 -8.032 -14.631 1.00 0.00 C ATOM 574 O SER A 37 12.441 -9.242 -14.437 1.00 0.00 O ATOM 575 CB SER A 37 11.430 -6.786 -16.505 1.00 0.00 C ATOM 576 OG SER A 37 11.461 -7.911 -17.378 1.00 0.00 O ATOM 0 H SER A 37 11.237 -5.144 -14.654 1.00 0.00 H new ATOM 0 HA SER A 37 10.427 -7.811 -14.922 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.583 -6.150 -16.763 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.331 -6.190 -16.649 1.00 0.00 H new ATOM 0 HG SER A 37 11.527 -7.603 -18.306 1.00 0.00 H new ATOM 582 N LYS A 38 13.674 -7.348 -14.515 1.00 0.00 N ATOM 583 CA LYS A 38 14.946 -8.027 -14.337 1.00 0.00 C ATOM 584 C LYS A 38 15.296 -8.061 -12.848 1.00 0.00 C ATOM 585 O LYS A 38 15.113 -9.082 -12.187 1.00 0.00 O ATOM 586 CB LYS A 38 16.025 -7.382 -15.209 1.00 0.00 C ATOM 587 CG LYS A 38 15.749 -7.627 -16.694 1.00 0.00 C ATOM 588 CD LYS A 38 16.199 -9.029 -17.111 1.00 0.00 C ATOM 589 CE LYS A 38 16.170 -9.184 -18.632 1.00 0.00 C ATOM 590 NZ LYS A 38 14.778 -9.136 -19.132 1.00 0.00 N ATOM 0 H LYS A 38 13.734 -6.330 -14.541 1.00 0.00 H new ATOM 0 HA LYS A 38 14.876 -9.062 -14.672 1.00 0.00 H new ATOM 0 HB2 LYS A 38 16.062 -6.310 -15.014 1.00 0.00 H new ATOM 0 HB3 LYS A 38 17.002 -7.788 -14.945 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.684 -7.508 -16.894 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.271 -6.880 -17.293 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.207 -9.216 -16.742 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.549 -9.775 -16.653 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.757 -8.391 -19.095 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.632 -10.129 -18.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.771 -9.310 -20.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.212 -9.865 -18.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.371 -8.199 -18.938 1.00 0.00 H new ATOM 604 N GLY A 39 15.795 -6.933 -12.365 1.00 0.00 N ATOM 605 CA GLY A 39 16.359 -6.877 -11.027 1.00 0.00 C ATOM 606 C GLY A 39 15.259 -6.743 -9.973 1.00 0.00 C ATOM 607 O GLY A 39 14.196 -6.188 -10.247 1.00 0.00 O ATOM 0 H GLY A 39 15.821 -6.051 -12.876 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.942 -7.778 -10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.044 -6.032 -10.952 1.00 0.00 H new ATOM 611 N ASN A 40 15.551 -7.262 -8.789 1.00 0.00 N ATOM 612 CA ASN A 40 14.598 -7.209 -7.693 1.00 0.00 C ATOM 613 C ASN A 40 14.742 -5.872 -6.963 1.00 0.00 C ATOM 614 O ASN A 40 15.678 -5.118 -7.220 1.00 0.00 O ATOM 615 CB ASN A 40 14.857 -8.329 -6.684 1.00 0.00 C ATOM 616 CG ASN A 40 16.251 -8.199 -6.066 1.00 0.00 C ATOM 617 OD1 ASN A 40 17.264 -8.445 -6.699 1.00 0.00 O ATOM 618 ND2 ASN A 40 16.245 -7.801 -4.797 1.00 0.00 N ATOM 0 H ASN A 40 16.434 -7.721 -8.565 1.00 0.00 H new ATOM 0 HA ASN A 40 13.597 -7.323 -8.110 1.00 0.00 H new ATOM 0 HB2 ASN A 40 14.102 -8.297 -5.898 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.763 -9.297 -7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.125 -7.685 -4.295 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.360 -7.612 -4.326 1.00 0.00 H new ATOM 625 N LEU A 41 13.800 -5.620 -6.066 1.00 0.00 N ATOM 626 CA LEU A 41 13.642 -4.292 -5.499 1.00 0.00 C ATOM 627 C LEU A 41 14.773 -4.030 -4.502 1.00 0.00 C ATOM 628 O LEU A 41 15.544 -3.085 -4.666 1.00 0.00 O ATOM 629 CB LEU A 41 12.244 -4.127 -4.899 1.00 0.00 C ATOM 630 CG LEU A 41 11.800 -2.691 -4.617 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.810 -1.852 -5.897 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.436 -2.664 -3.926 1.00 0.00 C ATOM 0 H LEU A 41 13.138 -6.314 -5.718 1.00 0.00 H new ATOM 0 HA LEU A 41 13.720 -3.534 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.523 -4.582 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.202 -4.689 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 41 12.518 -2.241 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.490 -0.835 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.818 -1.831 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.129 -2.291 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.144 -1.631 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.694 -3.139 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.496 -3.203 -2.980 1.00 0.00 H new ATOM 644 N ALA A 42 14.837 -4.884 -3.491 1.00 0.00 N ATOM 645 CA ALA A 42 15.678 -4.615 -2.337 1.00 0.00 C ATOM 646 C ALA A 42 17.114 -4.367 -2.804 1.00 0.00 C ATOM 647 O ALA A 42 17.883 -3.690 -2.125 1.00 0.00 O ATOM 648 CB ALA A 42 15.579 -5.781 -1.351 1.00 0.00 C ATOM 0 H ALA A 42 14.320 -5.762 -3.447 1.00 0.00 H new ATOM 0 HA ALA A 42 15.341 -3.718 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.210 -5.580 -0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.545 -5.897 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.912 -6.698 -1.837 1.00 0.00 H new ATOM 654 N GLU A 43 17.431 -4.929 -3.962 1.00 0.00 N ATOM 655 CA GLU A 43 18.746 -4.740 -4.550 1.00 0.00 C ATOM 656 C GLU A 43 19.092 -3.251 -4.607 1.00 0.00 C ATOM 657 O GLU A 43 20.080 -2.817 -4.016 1.00 0.00 O ATOM 658 CB GLU A 43 18.821 -5.373 -5.941 1.00 0.00 C ATOM 659 CG GLU A 43 20.222 -5.224 -6.537 1.00 0.00 C ATOM 660 CD GLU A 43 20.336 -5.975 -7.865 1.00 0.00 C ATOM 661 OE1 GLU A 43 19.663 -5.539 -8.823 1.00 0.00 O ATOM 662 OE2 GLU A 43 21.093 -6.969 -7.891 1.00 0.00 O ATOM 0 H GLU A 43 16.800 -5.515 -4.508 1.00 0.00 H new ATOM 0 HA GLU A 43 19.480 -5.241 -3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.559 -6.429 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 43 18.090 -4.902 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.445 -4.168 -6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.962 -5.606 -5.834 1.00 0.00 H new ATOM 669 N VAL A 44 18.261 -2.509 -5.323 1.00 0.00 N ATOM 670 CA VAL A 44 18.623 -1.163 -5.735 1.00 0.00 C ATOM 671 C VAL A 44 17.964 -0.152 -4.795 1.00 0.00 C ATOM 672 O VAL A 44 18.444 0.971 -4.651 1.00 0.00 O ATOM 673 CB VAL A 44 18.249 -0.947 -7.203 1.00 0.00 C ATOM 674 CG1 VAL A 44 16.763 -0.611 -7.346 1.00 0.00 C ATOM 675 CG2 VAL A 44 19.120 0.140 -7.836 1.00 0.00 C ATOM 0 H VAL A 44 17.337 -2.814 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 44 19.701 -1.018 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 44 18.435 -1.879 -7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 44 16.523 -0.462 -8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 44 16.165 -1.432 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 44 16.541 0.301 -6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 44 18.834 0.274 -8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 44 18.980 1.078 -7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 44 20.168 -0.156 -7.782 1.00 0.00 H new ATOM 685 N ALA A 45 16.875 -0.588 -4.179 1.00 0.00 N ATOM 686 CA ALA A 45 16.233 0.205 -3.144 1.00 0.00 C ATOM 687 C ALA A 45 16.000 -0.669 -1.909 1.00 0.00 C ATOM 688 O ALA A 45 14.925 -1.243 -1.745 1.00 0.00 O ATOM 689 CB ALA A 45 14.934 0.802 -3.689 1.00 0.00 C ATOM 0 H ALA A 45 16.421 -1.480 -4.377 1.00 0.00 H new ATOM 0 HA ALA A 45 16.873 1.035 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.453 1.397 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.157 1.437 -4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.265 -0.002 -3.997 1.00 0.00 H new ATOM 695 N PRO A 46 17.052 -0.743 -1.051 1.00 0.00 N ATOM 696 CA PRO A 46 17.015 -1.625 0.104 1.00 0.00 C ATOM 697 C PRO A 46 16.116 -1.053 1.201 1.00 0.00 C ATOM 698 O PRO A 46 15.943 0.161 1.298 1.00 0.00 O ATOM 699 CB PRO A 46 18.465 -1.766 0.537 1.00 0.00 C ATOM 700 CG PRO A 46 19.205 -0.599 -0.096 1.00 0.00 C ATOM 701 CD PRO A 46 18.300 0.007 -1.157 1.00 0.00 C ATOM 0 HA PRO A 46 16.585 -2.600 -0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.552 -1.741 1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.881 -2.718 0.206 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.460 0.145 0.658 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.141 -0.937 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.139 1.070 -0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.736 -0.088 -2.151 1.00 0.00 H new ATOM 709 N GLY A 47 15.566 -1.955 2.001 1.00 0.00 N ATOM 710 CA GLY A 47 14.783 -1.552 3.157 1.00 0.00 C ATOM 711 C GLY A 47 13.435 -0.967 2.728 1.00 0.00 C ATOM 712 O GLY A 47 12.706 -0.413 3.549 1.00 0.00 O ATOM 0 H GLY A 47 15.647 -2.963 1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.620 -2.411 3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.337 -0.813 3.736 1.00 0.00 H new ATOM 716 N LYS A 48 13.145 -1.111 1.443 1.00 0.00 N ATOM 717 CA LYS A 48 12.115 -0.303 0.814 1.00 0.00 C ATOM 718 C LYS A 48 11.179 -1.212 0.014 1.00 0.00 C ATOM 719 O LYS A 48 11.635 -2.089 -0.718 1.00 0.00 O ATOM 720 CB LYS A 48 12.745 0.816 -0.018 1.00 0.00 C ATOM 721 CG LYS A 48 12.405 2.189 0.564 1.00 0.00 C ATOM 722 CD LYS A 48 13.083 2.393 1.920 1.00 0.00 C ATOM 723 CE LYS A 48 13.188 3.881 2.262 1.00 0.00 C ATOM 724 NZ LYS A 48 13.299 4.069 3.726 1.00 0.00 N ATOM 0 H LYS A 48 13.606 -1.775 0.821 1.00 0.00 H new ATOM 0 HA LYS A 48 11.508 0.196 1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.827 0.687 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.389 0.754 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.723 2.970 -0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.325 2.283 0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.516 1.877 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.078 1.949 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.057 4.314 1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.312 4.409 1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.467 4.587 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.349 3.141 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.159 4.612 3.942 1.00 0.00 H new ATOM 738 N SER A 49 9.887 -0.970 0.180 1.00 0.00 N ATOM 739 CA SER A 49 8.894 -1.573 -0.692 1.00 0.00 C ATOM 740 C SER A 49 8.173 -0.487 -1.494 1.00 0.00 C ATOM 741 O SER A 49 8.511 0.691 -1.393 1.00 0.00 O ATOM 742 CB SER A 49 7.885 -2.399 0.109 1.00 0.00 C ATOM 743 OG SER A 49 8.484 -3.019 1.244 1.00 0.00 O ATOM 0 H SER A 49 9.505 -0.364 0.906 1.00 0.00 H new ATOM 0 HA SER A 49 9.407 -2.245 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.068 -1.756 0.436 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.450 -3.164 -0.535 1.00 0.00 H new ATOM 0 HG SER A 49 8.281 -3.978 1.238 1.00 0.00 H new ATOM 749 N ILE A 50 7.194 -0.923 -2.272 1.00 0.00 N ATOM 750 CA ILE A 50 6.310 0.007 -2.955 1.00 0.00 C ATOM 751 C ILE A 50 5.168 0.401 -2.015 1.00 0.00 C ATOM 752 O ILE A 50 4.650 -0.436 -1.277 1.00 0.00 O ATOM 753 CB ILE A 50 5.836 -0.582 -4.285 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.019 -1.092 -5.111 1.00 0.00 C ATOM 755 CG2 ILE A 50 4.988 0.428 -5.061 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.049 0.016 -5.335 1.00 0.00 C ATOM 0 H ILE A 50 6.993 -1.908 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 50 6.844 0.922 -3.211 1.00 0.00 H new ATOM 0 HB ILE A 50 5.199 -1.440 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.489 -1.932 -4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.663 -1.462 -6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.664 -0.016 -6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.115 0.701 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.581 1.320 -5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.879 -0.373 -5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.582 0.844 -5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.421 0.367 -4.372 1.00 0.00 H new ATOM 768 N GLY A 51 4.809 1.675 -2.074 1.00 0.00 N ATOM 769 CA GLY A 51 3.557 2.127 -1.493 1.00 0.00 C ATOM 770 C GLY A 51 3.341 3.620 -1.749 1.00 0.00 C ATOM 771 O GLY A 51 4.254 4.316 -2.189 1.00 0.00 O ATOM 0 H GLY A 51 5.364 2.408 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.729 1.558 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.560 1.935 -0.420 1.00 0.00 H new ATOM 775 N GLY A 52 2.127 4.067 -1.463 1.00 0.00 N ATOM 776 CA GLY A 52 1.779 5.465 -1.658 1.00 0.00 C ATOM 777 C GLY A 52 1.330 5.722 -3.098 1.00 0.00 C ATOM 778 O GLY A 52 1.134 6.870 -3.495 1.00 0.00 O ATOM 0 H GLY A 52 1.372 3.486 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.982 5.745 -0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.638 6.094 -1.423 1.00 0.00 H new ATOM 782 N ASP A 53 1.181 4.635 -3.840 1.00 0.00 N ATOM 783 CA ASP A 53 0.778 4.730 -5.233 1.00 0.00 C ATOM 784 C ASP A 53 -0.732 4.510 -5.339 1.00 0.00 C ATOM 785 O ASP A 53 -1.350 3.970 -4.423 1.00 0.00 O ATOM 786 CB ASP A 53 1.472 3.663 -6.081 1.00 0.00 C ATOM 787 CG ASP A 53 3.001 3.681 -6.020 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.536 3.127 -5.036 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.599 4.250 -6.959 1.00 0.00 O ATOM 0 H ASP A 53 1.332 3.684 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 53 1.057 5.718 -5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.122 2.682 -5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.163 3.788 -7.119 1.00 0.00 H new ATOM 794 N VAL A 54 -1.283 4.939 -6.465 1.00 0.00 N ATOM 795 CA VAL A 54 -2.725 4.928 -6.645 1.00 0.00 C ATOM 796 C VAL A 54 -3.174 3.519 -7.038 1.00 0.00 C ATOM 797 O VAL A 54 -2.511 2.850 -7.828 1.00 0.00 O ATOM 798 CB VAL A 54 -3.134 5.992 -7.666 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.657 6.109 -7.755 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.498 7.343 -7.333 1.00 0.00 C ATOM 0 H VAL A 54 -0.757 5.297 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.228 5.182 -5.712 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.765 5.680 -8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.921 6.872 -8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.078 5.151 -8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.058 6.387 -6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.804 8.082 -8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.823 7.664 -6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.412 7.247 -7.344 1.00 0.00 H new ATOM 810 N PHE A 55 -4.299 3.111 -6.468 1.00 0.00 N ATOM 811 CA PHE A 55 -4.922 1.857 -6.856 1.00 0.00 C ATOM 812 C PHE A 55 -6.226 2.106 -7.616 1.00 0.00 C ATOM 813 O PHE A 55 -6.668 1.259 -8.391 1.00 0.00 O ATOM 814 CB PHE A 55 -5.235 1.095 -5.567 1.00 0.00 C ATOM 815 CG PHE A 55 -6.595 0.395 -5.572 1.00 0.00 C ATOM 816 CD1 PHE A 55 -7.710 1.072 -5.187 1.00 0.00 C ATOM 817 CD2 PHE A 55 -6.690 -0.905 -5.962 1.00 0.00 C ATOM 818 CE1 PHE A 55 -8.973 0.422 -5.192 1.00 0.00 C ATOM 819 CE2 PHE A 55 -7.953 -1.554 -5.967 1.00 0.00 C ATOM 820 CZ PHE A 55 -9.067 -0.877 -5.582 1.00 0.00 C ATOM 0 H PHE A 55 -4.795 3.627 -5.741 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.253 1.295 -7.508 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.456 0.352 -5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.199 1.790 -4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.635 2.104 -4.877 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.805 -1.443 -6.268 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.858 0.960 -4.886 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.028 -2.586 -6.277 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.027 -1.371 -5.586 1.00 0.00 H new ATOM 830 N SER A 56 -6.806 3.271 -7.368 1.00 0.00 N ATOM 831 CA SER A 56 -7.890 3.761 -8.202 1.00 0.00 C ATOM 832 C SER A 56 -9.185 3.019 -7.865 1.00 0.00 C ATOM 833 O SER A 56 -9.183 1.799 -7.708 1.00 0.00 O ATOM 834 CB SER A 56 -7.558 3.601 -9.687 1.00 0.00 C ATOM 835 OG SER A 56 -6.208 3.957 -9.974 1.00 0.00 O ATOM 0 H SER A 56 -6.545 3.890 -6.601 1.00 0.00 H new ATOM 0 HA SER A 56 -8.024 4.824 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.732 2.568 -9.988 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.230 4.223 -10.278 1.00 0.00 H new ATOM 0 HG SER A 56 -6.035 3.840 -10.931 1.00 0.00 H new ATOM 841 N ASN A 57 -10.260 3.786 -7.765 1.00 0.00 N ATOM 842 CA ASN A 57 -11.555 3.220 -7.428 1.00 0.00 C ATOM 843 C ASN A 57 -12.645 3.942 -8.223 1.00 0.00 C ATOM 844 O ASN A 57 -12.499 5.117 -8.558 1.00 0.00 O ATOM 845 CB ASN A 57 -11.862 3.393 -5.939 1.00 0.00 C ATOM 846 CG ASN A 57 -13.094 2.582 -5.535 1.00 0.00 C ATOM 847 OD1 ASN A 57 -13.304 1.462 -5.974 1.00 0.00 O ATOM 848 ND2 ASN A 57 -13.896 3.206 -4.677 1.00 0.00 N ATOM 0 H ASN A 57 -10.261 4.795 -7.912 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.531 2.157 -7.670 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.003 3.075 -5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.028 4.447 -5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.745 2.748 -4.347 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.662 4.143 -4.349 1.00 0.00 H new ATOM 855 N ARG A 58 -13.714 3.210 -8.501 1.00 0.00 N ATOM 856 CA ARG A 58 -14.828 3.766 -9.251 1.00 0.00 C ATOM 857 C ARG A 58 -16.149 3.178 -8.751 1.00 0.00 C ATOM 858 O ARG A 58 -17.126 3.118 -9.496 1.00 0.00 O ATOM 859 CB ARG A 58 -14.683 3.479 -10.746 1.00 0.00 C ATOM 860 CG ARG A 58 -14.530 1.979 -11.005 1.00 0.00 C ATOM 861 CD ARG A 58 -14.484 1.683 -12.506 1.00 0.00 C ATOM 862 NE ARG A 58 -14.345 0.227 -12.730 1.00 0.00 N ATOM 863 CZ ARG A 58 -14.282 -0.344 -13.941 1.00 0.00 C ATOM 864 NH1 ARG A 58 -14.344 0.416 -15.044 1.00 0.00 N ATOM 865 NH2 ARG A 58 -14.158 -1.673 -14.050 1.00 0.00 N ATOM 0 H ARG A 58 -13.832 2.237 -8.220 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.826 4.845 -9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.556 3.856 -11.279 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.816 4.010 -11.139 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.618 1.616 -10.531 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.362 1.441 -10.550 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.392 2.048 -12.985 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.648 2.211 -12.964 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.294 -0.380 -11.912 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.439 1.428 -14.961 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.296 -0.018 -15.966 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.111 -2.251 -13.211 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.110 -2.107 -14.972 1.00 0.00 H new ATOM 879 N GLU A 59 -16.137 2.760 -7.494 1.00 0.00 N ATOM 880 CA GLU A 59 -17.242 1.988 -6.951 1.00 0.00 C ATOM 881 C GLU A 59 -17.367 0.651 -7.685 1.00 0.00 C ATOM 882 O GLU A 59 -17.701 0.617 -8.868 1.00 0.00 O ATOM 883 CB GLU A 59 -18.550 2.778 -7.025 1.00 0.00 C ATOM 884 CG GLU A 59 -19.438 2.482 -5.814 1.00 0.00 C ATOM 885 CD GLU A 59 -19.780 0.992 -5.737 1.00 0.00 C ATOM 886 OE1 GLU A 59 -20.630 0.563 -6.547 1.00 0.00 O ATOM 887 OE2 GLU A 59 -19.185 0.317 -4.870 1.00 0.00 O ATOM 0 H GLU A 59 -15.379 2.941 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 59 -17.036 1.785 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -18.333 3.845 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -19.082 2.523 -7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -18.929 2.790 -4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -20.356 3.067 -5.880 1.00 0.00 H new ATOM 894 N GLY A 60 -17.091 -0.418 -6.952 1.00 0.00 N ATOM 895 CA GLY A 60 -17.082 -1.746 -7.540 1.00 0.00 C ATOM 896 C GLY A 60 -16.541 -2.780 -6.550 1.00 0.00 C ATOM 897 O GLY A 60 -17.083 -3.879 -6.436 1.00 0.00 O ATOM 0 H GLY A 60 -16.872 -0.391 -5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -18.093 -2.021 -7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.469 -1.745 -8.441 1.00 0.00 H new ATOM 901 N ARG A 61 -15.480 -2.392 -5.859 1.00 0.00 N ATOM 902 CA ARG A 61 -14.985 -3.178 -4.741 1.00 0.00 C ATOM 903 C ARG A 61 -15.113 -2.386 -3.438 1.00 0.00 C ATOM 904 O ARG A 61 -15.688 -2.872 -2.466 1.00 0.00 O ATOM 905 CB ARG A 61 -13.522 -3.572 -4.949 1.00 0.00 C ATOM 906 CG ARG A 61 -13.361 -4.442 -6.198 1.00 0.00 C ATOM 907 CD ARG A 61 -13.708 -5.901 -5.898 1.00 0.00 C ATOM 908 NE ARG A 61 -15.164 -6.118 -6.055 1.00 0.00 N ATOM 909 CZ ARG A 61 -15.814 -7.204 -5.616 1.00 0.00 C ATOM 910 NH1 ARG A 61 -15.124 -8.253 -5.147 1.00 0.00 N ATOM 911 NH2 ARG A 61 -17.153 -7.241 -5.644 1.00 0.00 N ATOM 0 H ARG A 61 -14.948 -1.543 -6.051 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.588 -4.084 -4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.910 -2.675 -5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.160 -4.113 -4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.006 -4.067 -6.992 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.336 -4.376 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.159 -6.560 -6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.401 -6.155 -4.883 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.707 -5.395 -6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.105 -8.224 -5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.618 -9.080 -4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.678 -6.442 -6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.647 -8.068 -5.310 1.00 0.00 H new ATOM 925 N LEU A 62 -14.566 -1.179 -3.461 1.00 0.00 N ATOM 926 CA LEU A 62 -14.572 -0.333 -2.280 1.00 0.00 C ATOM 927 C LEU A 62 -15.513 0.851 -2.511 1.00 0.00 C ATOM 928 O LEU A 62 -15.768 1.233 -3.652 1.00 0.00 O ATOM 929 CB LEU A 62 -13.146 0.079 -1.908 1.00 0.00 C ATOM 930 CG LEU A 62 -12.132 -1.059 -1.780 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.728 -0.588 -2.165 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.167 -1.671 -0.378 1.00 0.00 C ATOM 0 H LEU A 62 -14.116 -0.767 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.955 -0.883 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.783 0.780 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.180 0.617 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.412 -1.845 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.026 -1.416 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.732 -0.238 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.424 0.226 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.436 -2.477 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.927 -0.905 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.163 -2.067 -0.179 1.00 0.00 H new ATOM 944 N PRO A 63 -16.017 1.414 -1.380 1.00 0.00 N ATOM 945 CA PRO A 63 -16.971 2.508 -1.449 1.00 0.00 C ATOM 946 C PRO A 63 -16.278 3.817 -1.833 1.00 0.00 C ATOM 947 O PRO A 63 -15.081 3.830 -2.115 1.00 0.00 O ATOM 948 CB PRO A 63 -17.614 2.558 -0.073 1.00 0.00 C ATOM 949 CG PRO A 63 -16.674 1.803 0.853 1.00 0.00 C ATOM 950 CD PRO A 63 -15.693 1.026 -0.010 1.00 0.00 C ATOM 0 HA PRO A 63 -17.726 2.359 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.746 3.588 0.259 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.602 2.098 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.143 2.496 1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.235 1.126 1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.662 1.276 0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.804 -0.049 0.134 1.00 0.00 H new ATOM 958 N SER A 64 -17.061 4.886 -1.832 1.00 0.00 N ATOM 959 CA SER A 64 -16.499 6.224 -1.896 1.00 0.00 C ATOM 960 C SER A 64 -15.746 6.414 -3.214 1.00 0.00 C ATOM 961 O SER A 64 -14.592 6.007 -3.338 1.00 0.00 O ATOM 962 CB SER A 64 -15.568 6.488 -0.710 1.00 0.00 C ATOM 963 OG SER A 64 -16.211 6.242 0.537 1.00 0.00 O ATOM 0 H SER A 64 -18.079 4.853 -1.788 1.00 0.00 H new ATOM 0 HA SER A 64 -17.318 6.941 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.685 5.854 -0.794 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.223 7.521 -0.743 1.00 0.00 H new ATOM 0 HG SER A 64 -15.584 6.420 1.269 1.00 0.00 H new ATOM 969 N ALA A 65 -16.430 7.032 -4.166 1.00 0.00 N ATOM 970 CA ALA A 65 -15.871 7.207 -5.496 1.00 0.00 C ATOM 971 C ALA A 65 -16.220 8.605 -6.011 1.00 0.00 C ATOM 972 O ALA A 65 -16.831 9.399 -5.297 1.00 0.00 O ATOM 973 CB ALA A 65 -16.387 6.100 -6.417 1.00 0.00 C ATOM 0 H ALA A 65 -17.366 7.418 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.784 7.127 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.968 6.232 -7.414 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.087 5.129 -6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.475 6.149 -6.471 1.00 0.00 H new ATOM 979 N SER A 66 -15.817 8.863 -7.246 1.00 0.00 N ATOM 980 CA SER A 66 -16.200 10.094 -7.916 1.00 0.00 C ATOM 981 C SER A 66 -15.868 11.297 -7.030 1.00 0.00 C ATOM 982 O SER A 66 -16.756 12.066 -6.665 1.00 0.00 O ATOM 983 CB SER A 66 -17.688 10.090 -8.270 1.00 0.00 C ATOM 984 OG SER A 66 -18.513 10.063 -7.108 1.00 0.00 O ATOM 0 H SER A 66 -15.229 8.241 -7.800 1.00 0.00 H new ATOM 0 HA SER A 66 -15.634 10.167 -8.845 1.00 0.00 H new ATOM 0 HB2 SER A 66 -17.923 10.976 -8.861 1.00 0.00 H new ATOM 0 HB3 SER A 66 -17.910 9.223 -8.893 1.00 0.00 H new ATOM 0 HG SER A 66 -17.962 10.214 -6.312 1.00 0.00 H new ATOM 990 N GLY A 67 -14.589 11.421 -6.711 1.00 0.00 N ATOM 991 CA GLY A 67 -14.118 12.557 -5.936 1.00 0.00 C ATOM 992 C GLY A 67 -13.296 12.095 -4.731 1.00 0.00 C ATOM 993 O GLY A 67 -12.576 12.887 -4.126 1.00 0.00 O ATOM 0 H GLY A 67 -13.864 10.754 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.511 13.206 -6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.969 13.148 -5.596 1.00 0.00 H new ATOM 997 N ARG A 68 -13.431 10.814 -4.418 1.00 0.00 N ATOM 998 CA ARG A 68 -12.630 10.213 -3.365 1.00 0.00 C ATOM 999 C ARG A 68 -11.614 9.237 -3.963 1.00 0.00 C ATOM 1000 O ARG A 68 -11.981 8.336 -4.714 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.512 9.468 -2.361 1.00 0.00 C ATOM 1002 CG ARG A 68 -12.715 9.078 -1.115 1.00 0.00 C ATOM 1003 CD ARG A 68 -13.263 9.781 0.129 1.00 0.00 C ATOM 1004 NE ARG A 68 -13.069 11.243 0.011 1.00 0.00 N ATOM 1005 CZ ARG A 68 -13.674 12.147 0.795 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -14.412 11.742 1.837 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -13.541 13.455 0.535 1.00 0.00 N ATOM 0 H ARG A 68 -14.083 10.176 -4.875 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.106 11.016 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.355 10.097 -2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.925 8.574 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.758 7.998 -0.975 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -11.666 9.340 -1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.323 9.555 0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.756 9.409 1.020 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.436 11.585 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.513 10.746 2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.872 12.429 2.434 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.980 13.763 -0.259 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.001 14.143 1.131 1.00 0.00 H new ATOM 1021 N THR A 69 -10.356 9.452 -3.606 1.00 0.00 N ATOM 1022 CA THR A 69 -9.274 8.658 -4.165 1.00 0.00 C ATOM 1023 C THR A 69 -8.858 7.559 -3.185 1.00 0.00 C ATOM 1024 O THR A 69 -9.125 7.655 -1.988 1.00 0.00 O ATOM 1025 CB THR A 69 -8.133 9.609 -4.533 1.00 0.00 C ATOM 1026 OG1 THR A 69 -8.787 10.714 -5.151 1.00 0.00 O ATOM 1027 CG2 THR A 69 -7.234 9.044 -5.635 1.00 0.00 C ATOM 0 H THR A 69 -10.062 10.164 -2.937 1.00 0.00 H new ATOM 0 HA THR A 69 -9.589 8.139 -5.070 1.00 0.00 H new ATOM 0 HB THR A 69 -7.534 9.818 -3.647 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.120 11.380 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.441 9.757 -5.859 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.794 8.105 -5.300 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.826 8.867 -6.533 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.210 6.540 -3.730 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.764 5.419 -2.921 1.00 0.00 C ATOM 1037 C TRP A 70 -6.275 5.198 -3.199 1.00 0.00 C ATOM 1038 O TRP A 70 -5.852 5.178 -4.353 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.613 4.175 -3.192 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.022 4.243 -2.600 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.064 4.968 -3.030 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.505 3.524 -1.445 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.178 4.771 -2.239 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.827 3.865 -1.245 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.846 2.616 -0.598 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.604 3.344 -0.203 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.636 2.105 0.439 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -11.968 2.438 0.654 1.00 0.00 C ATOM 0 H TRP A 70 -7.983 6.467 -4.722 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.892 5.634 -1.860 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.689 4.027 -4.269 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.101 3.303 -2.786 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.036 5.624 -3.888 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.091 5.210 -2.361 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.812 2.335 -0.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.638 3.626 -0.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.178 1.403 1.120 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.510 2.000 1.479 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.522 5.038 -2.120 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.090 4.821 -2.233 1.00 0.00 C ATOM 1061 C ARG A 71 -3.700 3.501 -1.563 1.00 0.00 C ATOM 1062 O ARG A 71 -4.222 3.160 -0.503 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.307 5.964 -1.586 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.729 7.316 -2.166 1.00 0.00 C ATOM 1065 CD ARG A 71 -3.008 7.595 -3.486 1.00 0.00 C ATOM 1066 NE ARG A 71 -1.590 7.930 -3.227 1.00 0.00 N ATOM 1067 CZ ARG A 71 -1.165 9.132 -2.814 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -2.050 10.109 -2.572 1.00 0.00 N ATOM 1069 NH2 ARG A 71 0.145 9.357 -2.643 1.00 0.00 N ATOM 0 H ARG A 71 -5.877 5.054 -1.164 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.843 4.782 -3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.473 5.959 -0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.239 5.814 -1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.807 7.326 -2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.506 8.108 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.071 6.722 -4.136 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.495 8.418 -4.009 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.892 7.200 -3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.047 9.938 -2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.726 11.024 -2.258 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.818 8.613 -2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.469 10.272 -2.329 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.784 2.795 -2.210 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.424 1.457 -1.771 1.00 0.00 C ATOM 1085 C GLU A 72 -0.983 1.438 -1.255 1.00 0.00 C ATOM 1086 O GLU A 72 -0.213 2.359 -1.520 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.616 0.441 -2.899 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.492 0.548 -3.931 1.00 0.00 C ATOM 1089 CD GLU A 72 -0.258 -0.237 -3.483 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -0.458 -1.330 -2.909 1.00 0.00 O ATOM 1091 OE2 GLU A 72 0.858 0.272 -3.724 1.00 0.00 O ATOM 0 H GLU A 72 -2.281 3.124 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.086 1.173 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.640 -0.567 -2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.577 0.609 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.839 0.169 -4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.227 1.595 -4.078 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.664 0.378 -0.527 1.00 0.00 N ATOM 1099 CA ALA A 73 0.696 0.175 -0.058 1.00 0.00 C ATOM 1100 C ALA A 73 0.929 -1.318 0.186 1.00 0.00 C ATOM 1101 O ALA A 73 -0.001 -2.048 0.523 1.00 0.00 O ATOM 1102 CB ALA A 73 0.934 1.015 1.198 1.00 0.00 C ATOM 0 H ALA A 73 -1.324 -0.349 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 73 1.414 0.503 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.954 0.863 1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.784 2.069 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.233 0.713 1.976 1.00 0.00 H new ATOM 1108 N ASP A 74 2.177 -1.726 0.006 1.00 0.00 N ATOM 1109 CA ASP A 74 2.521 -3.136 0.082 1.00 0.00 C ATOM 1110 C ASP A 74 2.557 -3.569 1.550 1.00 0.00 C ATOM 1111 O ASP A 74 2.919 -2.782 2.424 1.00 0.00 O ATOM 1112 CB ASP A 74 3.901 -3.400 -0.523 1.00 0.00 C ATOM 1113 CG ASP A 74 4.015 -3.117 -2.022 1.00 0.00 C ATOM 1114 OD1 ASP A 74 2.985 -2.711 -2.602 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.129 -3.313 -2.554 1.00 0.00 O ATOM 0 H ASP A 74 2.962 -1.105 -0.192 1.00 0.00 H new ATOM 0 HA ASP A 74 1.770 -3.697 -0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.635 -2.790 0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.166 -4.442 -0.344 1.00 0.00 H new ATOM 1120 N ILE A 75 2.178 -4.818 1.774 1.00 0.00 N ATOM 1121 CA ILE A 75 2.261 -5.398 3.104 1.00 0.00 C ATOM 1122 C ILE A 75 3.087 -6.684 3.045 1.00 0.00 C ATOM 1123 O ILE A 75 2.824 -7.557 2.219 1.00 0.00 O ATOM 1124 CB ILE A 75 0.862 -5.592 3.693 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.056 -4.293 3.629 1.00 0.00 C ATOM 1126 CG2 ILE A 75 0.938 -6.150 5.115 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.546 -3.292 4.677 1.00 0.00 C ATOM 0 H ILE A 75 1.813 -5.445 1.057 1.00 0.00 H new ATOM 0 HA ILE A 75 2.776 -4.719 3.783 1.00 0.00 H new ATOM 0 HB ILE A 75 0.335 -6.329 3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.143 -3.856 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.000 -4.508 3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.070 -6.278 5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.448 -7.113 5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.491 -5.457 5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.043 -2.378 4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.435 -3.723 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.596 -3.061 4.497 1.00 0.00 H new ATOM 1139 N ASN A 76 4.070 -6.761 3.931 1.00 0.00 N ATOM 1140 CA ASN A 76 4.905 -7.946 4.021 1.00 0.00 C ATOM 1141 C ASN A 76 5.423 -8.307 2.628 1.00 0.00 C ATOM 1142 O ASN A 76 5.110 -9.374 2.102 1.00 0.00 O ATOM 1143 CB ASN A 76 4.111 -9.140 4.554 1.00 0.00 C ATOM 1144 CG ASN A 76 4.056 -9.124 6.083 1.00 0.00 C ATOM 1145 OD1 ASN A 76 3.463 -8.048 6.592 1.00 0.00 O flip ATOM 1146 ND2 ASN A 76 4.521 -10.029 6.756 1.00 0.00 N flip ATOM 0 H ASN A 76 4.306 -6.022 4.593 1.00 0.00 H new ATOM 0 HA ASN A 76 5.728 -7.727 4.701 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.099 -9.118 4.150 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.570 -10.068 4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.963 -10.828 6.301 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.467 -9.987 7.774 1.00 0.00 H new ATOM 1153 N TYR A 77 6.208 -7.397 2.069 1.00 0.00 N ATOM 1154 CA TYR A 77 6.897 -7.669 0.819 1.00 0.00 C ATOM 1155 C TYR A 77 7.954 -6.600 0.532 1.00 0.00 C ATOM 1156 O TYR A 77 7.630 -5.516 0.050 1.00 0.00 O ATOM 1157 CB TYR A 77 5.826 -7.616 -0.273 1.00 0.00 C ATOM 1158 CG TYR A 77 5.476 -8.982 -0.867 1.00 0.00 C ATOM 1159 CD1 TYR A 77 6.404 -9.661 -1.630 1.00 0.00 C ATOM 1160 CD2 TYR A 77 4.232 -9.535 -0.640 1.00 0.00 C ATOM 1161 CE1 TYR A 77 6.075 -10.946 -2.189 1.00 0.00 C ATOM 1162 CE2 TYR A 77 3.903 -10.821 -1.199 1.00 0.00 C ATOM 1163 CZ TYR A 77 4.840 -11.463 -1.946 1.00 0.00 C ATOM 1164 OH TYR A 77 4.529 -12.677 -2.475 1.00 0.00 O ATOM 0 H TYR A 77 6.382 -6.471 2.459 1.00 0.00 H new ATOM 0 HA TYR A 77 7.403 -8.633 0.862 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.922 -7.168 0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.169 -6.960 -1.073 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.377 -9.228 -1.808 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.505 -9.004 -0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.792 -11.488 -2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.934 -11.265 -1.029 1.00 0.00 H new ATOM 0 HH TYR A 77 3.615 -12.921 -2.219 1.00 0.00 H new ATOM 1174 N VAL A 78 9.195 -6.944 0.841 1.00 0.00 N ATOM 1175 CA VAL A 78 10.301 -6.026 0.625 1.00 0.00 C ATOM 1176 C VAL A 78 11.142 -6.517 -0.556 1.00 0.00 C ATOM 1177 O VAL A 78 11.359 -5.780 -1.517 1.00 0.00 O ATOM 1178 CB VAL A 78 11.112 -5.872 1.913 1.00 0.00 C ATOM 1179 CG1 VAL A 78 12.219 -4.829 1.742 1.00 0.00 C ATOM 1180 CG2 VAL A 78 10.205 -5.519 3.093 1.00 0.00 C ATOM 0 H VAL A 78 9.460 -7.845 1.239 1.00 0.00 H new ATOM 0 HA VAL A 78 9.930 -5.033 0.370 1.00 0.00 H new ATOM 0 HB VAL A 78 11.584 -6.831 2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.781 -4.739 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.890 -5.139 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.775 -3.865 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.807 -5.415 3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.692 -4.579 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.469 -6.311 3.236 1.00 0.00 H new ATOM 1190 N SER A 79 11.592 -7.758 -0.445 1.00 0.00 N ATOM 1191 CA SER A 79 12.606 -8.270 -1.351 1.00 0.00 C ATOM 1192 C SER A 79 12.007 -9.358 -2.245 1.00 0.00 C ATOM 1193 O SER A 79 10.927 -9.875 -1.961 1.00 0.00 O ATOM 1194 CB SER A 79 13.808 -8.819 -0.580 1.00 0.00 C ATOM 1195 OG SER A 79 13.480 -9.994 0.155 1.00 0.00 O ATOM 0 H SER A 79 11.273 -8.424 0.259 1.00 0.00 H new ATOM 0 HA SER A 79 12.954 -7.447 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.615 -9.042 -1.278 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.179 -8.056 0.104 1.00 0.00 H new ATOM 0 HG SER A 79 14.274 -10.314 0.632 1.00 0.00 H new ATOM 1201 N GLY A 80 12.735 -9.675 -3.306 1.00 0.00 N ATOM 1202 CA GLY A 80 12.401 -10.827 -4.126 1.00 0.00 C ATOM 1203 C GLY A 80 11.245 -10.508 -5.076 1.00 0.00 C ATOM 1204 O GLY A 80 11.337 -9.585 -5.883 1.00 0.00 O ATOM 0 H GLY A 80 13.555 -9.154 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.275 -11.134 -4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.129 -11.667 -3.486 1.00 0.00 H new ATOM 1208 N PHE A 81 10.183 -11.290 -4.948 1.00 0.00 N ATOM 1209 CA PHE A 81 9.092 -11.234 -5.907 1.00 0.00 C ATOM 1210 C PHE A 81 8.182 -10.035 -5.633 1.00 0.00 C ATOM 1211 O PHE A 81 8.352 -9.337 -4.635 1.00 0.00 O ATOM 1212 CB PHE A 81 8.283 -12.522 -5.739 1.00 0.00 C ATOM 1213 CG PHE A 81 9.110 -13.800 -5.888 1.00 0.00 C ATOM 1214 CD1 PHE A 81 9.615 -14.145 -7.103 1.00 0.00 C ATOM 1215 CD2 PHE A 81 9.340 -14.592 -4.806 1.00 0.00 C ATOM 1216 CE1 PHE A 81 10.383 -15.332 -7.242 1.00 0.00 C ATOM 1217 CE2 PHE A 81 10.107 -15.778 -4.945 1.00 0.00 C ATOM 1218 CZ PHE A 81 10.612 -16.123 -6.160 1.00 0.00 C ATOM 0 H PHE A 81 10.055 -11.966 -4.195 1.00 0.00 H new ATOM 0 HA PHE A 81 9.489 -11.131 -6.917 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.813 -12.518 -4.755 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.480 -12.533 -6.476 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.432 -13.516 -7.962 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.939 -14.318 -3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.785 -15.606 -8.206 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.290 -16.407 -4.086 1.00 0.00 H new ATOM 0 HZ PHE A 81 11.195 -17.026 -6.265 1.00 0.00 H new ATOM 1228 N ARG A 82 7.237 -9.832 -6.539 1.00 0.00 N ATOM 1229 CA ARG A 82 6.401 -8.643 -6.495 1.00 0.00 C ATOM 1230 C ARG A 82 5.346 -8.777 -5.396 1.00 0.00 C ATOM 1231 O ARG A 82 5.027 -9.885 -4.968 1.00 0.00 O ATOM 1232 CB ARG A 82 5.704 -8.411 -7.837 1.00 0.00 C ATOM 1233 CG ARG A 82 6.725 -8.177 -8.952 1.00 0.00 C ATOM 1234 CD ARG A 82 7.552 -6.918 -8.684 1.00 0.00 C ATOM 1235 NE ARG A 82 8.879 -7.290 -8.143 1.00 0.00 N ATOM 1236 CZ ARG A 82 9.851 -7.860 -8.867 1.00 0.00 C ATOM 1237 NH1 ARG A 82 9.697 -8.022 -10.188 1.00 0.00 N ATOM 1238 NH2 ARG A 82 10.979 -8.270 -8.269 1.00 0.00 N ATOM 0 H ARG A 82 7.031 -10.470 -7.308 1.00 0.00 H new ATOM 0 HA ARG A 82 7.046 -7.791 -6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.083 -9.273 -8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.039 -7.551 -7.762 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.386 -9.040 -9.032 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.209 -8.081 -9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.672 -6.349 -9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.030 -6.273 -7.977 1.00 0.00 H new ATOM 0 HE ARG A 82 9.064 -7.100 -7.158 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.839 -7.711 -10.643 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.438 -8.456 -10.738 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.096 -8.148 -7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.720 -8.704 -8.820 1.00 0.00 H new ATOM 1252 N ASN A 83 4.832 -7.632 -4.970 1.00 0.00 N ATOM 1253 CA ASN A 83 3.870 -7.602 -3.882 1.00 0.00 C ATOM 1254 C ASN A 83 2.596 -8.332 -4.314 1.00 0.00 C ATOM 1255 O ASN A 83 2.346 -8.500 -5.506 1.00 0.00 O ATOM 1256 CB ASN A 83 3.492 -6.164 -3.521 1.00 0.00 C ATOM 1257 CG ASN A 83 3.135 -5.360 -4.772 1.00 0.00 C ATOM 1258 OD1 ASN A 83 2.167 -5.634 -5.462 1.00 0.00 O ATOM 1259 ND2 ASN A 83 3.967 -4.355 -5.025 1.00 0.00 N ATOM 0 H ASN A 83 5.064 -6.718 -5.359 1.00 0.00 H new ATOM 0 HA ASN A 83 4.324 -8.084 -3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.646 -6.168 -2.834 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.322 -5.686 -3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.814 -3.758 -5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.759 -4.180 -4.406 1.00 0.00 H new ATOM 1266 N ALA A 84 1.823 -8.745 -3.320 1.00 0.00 N ATOM 1267 CA ALA A 84 0.581 -9.451 -3.582 1.00 0.00 C ATOM 1268 C ALA A 84 -0.364 -9.271 -2.392 1.00 0.00 C ATOM 1269 O ALA A 84 -1.540 -8.960 -2.570 1.00 0.00 O ATOM 1270 CB ALA A 84 0.881 -10.924 -3.869 1.00 0.00 C ATOM 0 H ALA A 84 2.033 -8.604 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 84 0.086 -9.041 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.051 -11.454 -4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.532 -11.000 -4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.376 -11.369 -3.006 1.00 0.00 H new ATOM 1276 N ASP A 85 0.186 -9.474 -1.204 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.461 -9.009 0.011 1.00 0.00 C ATOM 1278 C ASP A 85 -0.297 -7.492 0.122 1.00 0.00 C ATOM 1279 O ASP A 85 0.823 -6.989 0.190 1.00 0.00 O ATOM 1280 CB ASP A 85 0.170 -9.645 1.250 1.00 0.00 C ATOM 1281 CG ASP A 85 -0.073 -11.148 1.401 1.00 0.00 C ATOM 1282 OD1 ASP A 85 0.547 -11.905 0.623 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.875 -11.507 2.291 1.00 0.00 O ATOM 0 H ASP A 85 1.073 -9.955 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.514 -9.288 -0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.245 -9.467 1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.215 -9.139 2.135 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.430 -6.806 0.139 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.428 -5.355 0.052 1.00 0.00 C ATOM 1290 C ARG A 86 -2.583 -4.773 0.869 1.00 0.00 C ATOM 1291 O ARG A 86 -3.497 -5.496 1.261 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.554 -4.890 -1.400 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.479 -5.535 -2.278 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.537 -4.990 -3.706 1.00 0.00 C ATOM 1295 NE ARG A 86 0.258 -3.746 -3.805 1.00 0.00 N ATOM 1296 CZ ARG A 86 0.637 -3.187 -4.963 1.00 0.00 C ATOM 1297 NH1 ARG A 86 0.078 -3.585 -6.114 1.00 0.00 N ATOM 1298 NH2 ARG A 86 1.574 -2.230 -4.969 1.00 0.00 N ATOM 0 H ARG A 86 -2.356 -7.228 0.212 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.479 -5.000 0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.542 -5.145 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.464 -3.805 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.506 -5.344 -1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.616 -6.616 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.152 -5.734 -4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.572 -4.794 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 86 0.535 -3.285 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.636 -4.313 -6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.366 -3.160 -6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.999 -1.927 -4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.863 -1.804 -5.850 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.504 -3.471 1.101 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.531 -2.783 1.865 1.00 0.00 C ATOM 1314 C LEU A 87 -3.877 -1.463 1.174 1.00 0.00 C ATOM 1315 O LEU A 87 -2.992 -0.765 0.682 1.00 0.00 O ATOM 1316 CB LEU A 87 -3.095 -2.619 3.322 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.969 -1.706 4.185 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -4.137 -2.280 5.593 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.416 -0.280 4.209 1.00 0.00 C ATOM 0 H LEU A 87 -1.745 -2.874 0.773 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.445 -3.376 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.066 -3.605 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.076 -2.231 3.334 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.961 -1.658 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.762 -1.612 6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.609 -3.261 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.160 -2.377 6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.056 0.348 4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.407 -0.288 4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.391 0.118 3.194 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.167 -1.160 1.158 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.648 0.028 0.475 1.00 0.00 C ATOM 1333 C VAL A 88 -6.454 0.884 1.455 1.00 0.00 C ATOM 1334 O VAL A 88 -7.311 0.371 2.172 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.448 -0.370 -0.768 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.584 0.809 -1.733 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.815 -1.578 -1.462 1.00 0.00 C ATOM 0 H VAL A 88 -5.894 -1.717 1.607 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.811 0.633 0.127 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.450 -0.655 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.156 0.499 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.099 1.630 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.593 1.139 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.402 -1.841 -2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.797 -1.332 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.794 -2.423 -0.774 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.150 2.174 1.453 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.858 3.111 2.308 1.00 0.00 C ATOM 1349 C TYR A 89 -7.337 4.326 1.511 1.00 0.00 C ATOM 1350 O TYR A 89 -6.689 4.736 0.549 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.846 3.571 3.359 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.589 4.217 2.771 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -3.503 3.434 2.436 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -4.542 5.582 2.577 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -2.321 4.042 1.883 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -3.359 6.190 2.024 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.307 5.390 1.704 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.190 5.964 1.182 1.00 0.00 O ATOM 0 H TYR A 89 -5.423 2.592 0.873 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.735 2.639 2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.330 4.283 4.027 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.552 2.714 3.965 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.540 2.365 2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.392 6.195 2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.464 3.441 1.616 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.309 7.257 1.867 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.323 6.932 1.110 1.00 0.00 H new ATOM 1368 N SER A 90 -8.467 4.868 1.941 1.00 0.00 N ATOM 1369 CA SER A 90 -9.114 5.937 1.199 1.00 0.00 C ATOM 1370 C SER A 90 -8.591 7.294 1.674 1.00 0.00 C ATOM 1371 O SER A 90 -7.733 7.360 2.553 1.00 0.00 O ATOM 1372 CB SER A 90 -10.635 5.871 1.351 1.00 0.00 C ATOM 1373 OG SER A 90 -11.066 6.355 2.620 1.00 0.00 O ATOM 0 H SER A 90 -8.951 4.587 2.794 1.00 0.00 H new ATOM 0 HA SER A 90 -8.876 5.813 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.104 6.457 0.561 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.968 4.841 1.224 1.00 0.00 H new ATOM 0 HG SER A 90 -11.854 6.926 2.502 1.00 0.00 H new ATOM 1379 N SER A 91 -9.131 8.344 1.072 1.00 0.00 N ATOM 1380 CA SER A 91 -8.684 9.692 1.376 1.00 0.00 C ATOM 1381 C SER A 91 -9.124 10.084 2.788 1.00 0.00 C ATOM 1382 O SER A 91 -8.421 10.818 3.481 1.00 0.00 O ATOM 1383 CB SER A 91 -9.224 10.695 0.355 1.00 0.00 C ATOM 1384 OG SER A 91 -8.756 10.420 -0.963 1.00 0.00 O ATOM 0 H SER A 91 -9.874 8.288 0.375 1.00 0.00 H new ATOM 0 HA SER A 91 -7.595 9.711 1.323 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.314 10.671 0.365 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.924 11.703 0.643 1.00 0.00 H new ATOM 0 HG SER A 91 -8.932 9.482 -1.183 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.286 9.577 3.173 1.00 0.00 N ATOM 1391 CA ASP A 92 -10.831 9.868 4.488 1.00 0.00 C ATOM 1392 C ASP A 92 -10.599 8.669 5.409 1.00 0.00 C ATOM 1393 O ASP A 92 -11.231 8.555 6.458 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.338 10.124 4.416 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.157 8.990 3.796 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -12.707 7.830 3.922 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.215 9.308 3.212 1.00 0.00 O ATOM 0 H ASP A 92 -10.865 8.966 2.597 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.332 10.759 4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.708 10.310 5.424 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.510 11.033 3.840 1.00 0.00 H new ATOM 1402 N TRP A 93 -9.689 7.804 4.984 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.148 6.790 5.872 1.00 0.00 C ATOM 1404 C TRP A 93 -10.254 5.772 6.157 1.00 0.00 C ATOM 1405 O TRP A 93 -10.578 5.510 7.314 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.575 7.422 7.142 1.00 0.00 C ATOM 1407 CG TRP A 93 -7.827 8.734 6.901 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -8.143 9.958 7.345 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.615 8.905 6.135 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -7.228 10.902 6.923 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.270 10.241 6.164 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -5.837 7.962 5.441 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.139 10.754 5.518 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.710 8.491 4.800 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.349 9.833 4.820 1.00 0.00 C ATOM 0 H TRP A 93 -9.313 7.785 4.036 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.312 6.273 5.402 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -9.389 7.603 7.844 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.898 6.711 7.616 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -9.005 10.179 7.956 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -7.251 11.900 7.130 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.089 6.912 5.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.889 11.804 5.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.077 7.809 4.252 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.463 10.164 4.299 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.802 5.225 5.082 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.477 3.940 5.157 1.00 0.00 C ATOM 1428 C LEU A 94 -10.536 2.845 4.650 1.00 0.00 C ATOM 1429 O LEU A 94 -10.052 2.911 3.522 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.814 3.993 4.416 1.00 0.00 C ATOM 1431 CG LEU A 94 -13.980 4.623 5.181 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -15.011 5.216 4.218 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.610 3.618 6.147 1.00 0.00 C ATOM 0 H LEU A 94 -10.792 5.648 4.154 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.722 3.698 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.671 4.548 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.094 2.977 4.139 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.590 5.445 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.829 5.657 4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.538 5.985 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.401 4.429 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.436 4.092 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -14.983 2.760 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.861 3.285 6.865 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.305 1.863 5.510 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.161 0.983 5.350 1.00 0.00 C ATOM 1447 C ILE A 95 -9.651 -0.435 5.048 1.00 0.00 C ATOM 1448 O ILE A 95 -10.574 -0.927 5.695 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.244 1.069 6.573 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.025 2.523 6.993 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.923 0.340 6.320 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.010 2.618 8.133 1.00 0.00 C ATOM 0 H ILE A 95 -10.891 1.658 6.319 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.554 1.298 4.501 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.736 0.565 7.405 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.674 3.103 6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.972 2.961 7.307 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.290 0.416 7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.122 -0.710 6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.414 0.794 5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.873 3.663 8.412 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.376 2.057 8.993 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.057 2.202 7.807 1.00 0.00 H new ATOM 1464 N TYR A 96 -9.012 -1.050 4.064 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.287 -2.442 3.748 1.00 0.00 C ATOM 1466 C TYR A 96 -8.005 -3.177 3.353 1.00 0.00 C ATOM 1467 O TYR A 96 -7.148 -2.616 2.672 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.240 -2.423 2.552 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.671 -2.010 2.902 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.995 -0.673 3.013 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.637 -2.974 3.108 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.342 -0.284 3.343 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.983 -2.585 3.438 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.269 -1.259 3.539 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.541 -0.892 3.851 1.00 0.00 O ATOM 0 H TYR A 96 -8.305 -0.610 3.475 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.711 -2.955 4.611 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.849 -1.738 1.800 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.259 -3.415 2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.239 0.081 2.852 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.383 -4.020 3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.610 0.758 3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.748 -3.329 3.602 1.00 0.00 H new ATOM 0 HH TYR A 96 -16.095 -1.693 3.961 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.914 -4.423 3.795 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.767 -5.252 3.468 1.00 0.00 C ATOM 1487 C LYS A 97 -7.157 -6.244 2.370 1.00 0.00 C ATOM 1488 O LYS A 97 -8.339 -6.514 2.164 1.00 0.00 O ATOM 1489 CB LYS A 97 -6.210 -5.918 4.728 1.00 0.00 C ATOM 1490 CG LYS A 97 -7.224 -6.895 5.326 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.551 -7.843 6.320 1.00 0.00 C ATOM 1492 CE LYS A 97 -5.935 -9.044 5.601 1.00 0.00 C ATOM 1493 NZ LYS A 97 -6.971 -10.059 5.304 1.00 0.00 N ATOM 0 H LYS A 97 -8.617 -4.878 4.377 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.956 -4.641 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.288 -6.447 4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.956 -5.156 5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.017 -6.340 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.693 -7.471 4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.777 -7.308 6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.282 -8.188 7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.462 -8.717 4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.153 -9.484 6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.535 -10.867 4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.404 -10.383 6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.703 -9.640 4.695 1.00 0.00 H new ATOM 1507 N THR A 98 -6.141 -6.759 1.694 1.00 0.00 N ATOM 1508 CA THR A 98 -6.349 -7.817 0.720 1.00 0.00 C ATOM 1509 C THR A 98 -5.086 -8.669 0.580 1.00 0.00 C ATOM 1510 O THR A 98 -3.978 -8.137 0.514 1.00 0.00 O ATOM 1511 CB THR A 98 -6.795 -7.171 -0.593 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.860 -8.259 -1.511 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.727 -6.248 -1.184 1.00 0.00 C ATOM 0 H THR A 98 -5.171 -6.463 1.801 1.00 0.00 H new ATOM 0 HA THR A 98 -7.132 -8.503 1.043 1.00 0.00 H new ATOM 0 HB THR A 98 -7.712 -6.605 -0.426 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.798 -8.486 -1.683 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.094 -5.816 -2.115 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.504 -5.450 -0.476 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.821 -6.820 -1.383 1.00 0.00 H new ATOM 1521 N THR A 99 -5.294 -9.977 0.539 1.00 0.00 N ATOM 1522 CA THR A 99 -4.196 -10.902 0.317 1.00 0.00 C ATOM 1523 C THR A 99 -4.116 -11.290 -1.161 1.00 0.00 C ATOM 1524 O THR A 99 -3.134 -11.888 -1.598 1.00 0.00 O ATOM 1525 CB THR A 99 -4.391 -12.099 1.249 1.00 0.00 C ATOM 1526 OG1 THR A 99 -5.744 -12.490 1.034 1.00 0.00 O ATOM 1527 CG2 THR A 99 -4.347 -11.704 2.727 1.00 0.00 C ATOM 0 H THR A 99 -6.206 -10.418 0.656 1.00 0.00 H new ATOM 0 HA THR A 99 -3.237 -10.441 0.552 1.00 0.00 H new ATOM 0 HB THR A 99 -3.620 -12.843 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.955 -13.263 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.491 -12.590 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.380 -11.255 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.139 -10.985 2.935 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.163 -10.934 -1.891 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.477 -11.618 -3.134 1.00 0.00 C ATOM 1537 C ASP A 100 -5.332 -10.639 -4.301 1.00 0.00 C ATOM 1538 O ASP A 100 -5.737 -10.941 -5.422 1.00 0.00 O ATOM 1539 CB ASP A 100 -6.916 -12.138 -3.128 1.00 0.00 C ATOM 1540 CG ASP A 100 -7.950 -11.172 -2.546 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -8.069 -10.062 -3.109 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.598 -11.565 -1.552 1.00 0.00 O ATOM 0 H ASP A 100 -5.805 -10.180 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.791 -12.458 -3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.203 -12.381 -4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.948 -13.067 -2.559 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.753 -9.487 -3.996 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.487 -8.490 -5.019 1.00 0.00 C ATOM 1549 C HIS A 101 -5.802 -8.065 -5.676 1.00 0.00 C ATOM 1550 O HIS A 101 -6.070 -8.417 -6.823 1.00 0.00 O ATOM 1551 CB HIS A 101 -3.461 -9.008 -6.029 1.00 0.00 C ATOM 1552 CG HIS A 101 -2.870 -7.934 -6.911 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -3.483 -7.497 -8.072 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -1.718 -7.214 -6.789 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -2.725 -6.557 -8.617 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -1.631 -6.383 -7.820 1.00 0.00 N ATOM 0 H HIS A 101 -4.461 -9.222 -3.055 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.046 -7.604 -4.562 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.655 -9.505 -5.490 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.935 -9.761 -6.659 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -0.998 -7.305 -5.989 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.936 -6.022 -9.531 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -0.872 -5.723 -7.989 1.00 0.00 H new ATOM 1564 N TYR A 102 -6.588 -7.312 -4.919 1.00 0.00 N ATOM 1565 CA TYR A 102 -7.699 -6.574 -5.496 1.00 0.00 C ATOM 1566 C TYR A 102 -8.687 -7.520 -6.182 1.00 0.00 C ATOM 1567 O TYR A 102 -9.204 -7.212 -7.254 1.00 0.00 O ATOM 1568 CB TYR A 102 -7.088 -5.645 -6.547 1.00 0.00 C ATOM 1569 CG TYR A 102 -5.877 -4.854 -6.049 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -5.817 -4.438 -4.734 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -4.844 -4.555 -6.914 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -4.677 -3.693 -4.265 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -3.704 -3.810 -6.446 1.00 0.00 C ATOM 1574 CZ TYR A 102 -3.677 -3.416 -5.144 1.00 0.00 C ATOM 1575 OH TYR A 102 -2.601 -2.713 -4.702 1.00 0.00 O ATOM 0 H TYR A 102 -6.477 -7.197 -3.912 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.242 -6.030 -4.723 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.791 -6.238 -7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.852 -4.945 -6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.625 -4.671 -4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.891 -4.880 -7.943 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.618 -3.362 -3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.889 -3.570 -7.113 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.586 -2.720 -3.722 1.00 0.00 H new ATOM 1585 N ALA A 103 -8.921 -8.652 -5.534 1.00 0.00 N ATOM 1586 CA ALA A 103 -10.085 -9.464 -5.843 1.00 0.00 C ATOM 1587 C ALA A 103 -11.172 -9.210 -4.796 1.00 0.00 C ATOM 1588 O ALA A 103 -12.279 -8.794 -5.134 1.00 0.00 O ATOM 1589 CB ALA A 103 -9.676 -10.937 -5.913 1.00 0.00 C ATOM 0 H ALA A 103 -8.324 -9.026 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.495 -9.192 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.549 -11.547 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.924 -11.069 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.263 -11.246 -4.953 1.00 0.00 H new ATOM 1595 N THR A 104 -10.817 -9.471 -3.547 1.00 0.00 N ATOM 1596 CA THR A 104 -11.719 -9.198 -2.441 1.00 0.00 C ATOM 1597 C THR A 104 -10.992 -8.427 -1.337 1.00 0.00 C ATOM 1598 O THR A 104 -9.769 -8.305 -1.363 1.00 0.00 O ATOM 1599 CB THR A 104 -12.304 -10.531 -1.967 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.175 -11.397 -1.890 1.00 0.00 O ATOM 1601 CG2 THR A 104 -13.202 -11.183 -3.020 1.00 0.00 C ATOM 0 H THR A 104 -9.918 -9.868 -3.276 1.00 0.00 H new ATOM 0 HA THR A 104 -12.544 -8.557 -2.753 1.00 0.00 H new ATOM 0 HB THR A 104 -12.874 -10.373 -1.051 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.400 -10.895 -1.562 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.591 -12.125 -2.634 1.00 0.00 H new ATOM 0 HG22 THR A 104 -14.032 -10.516 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.624 -11.373 -3.924 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.776 -7.927 -0.393 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.245 -7.046 0.632 1.00 0.00 C ATOM 1611 C PHE A 105 -11.865 -7.354 1.996 1.00 0.00 C ATOM 1612 O PHE A 105 -12.927 -7.969 2.074 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.614 -5.617 0.229 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.793 -5.068 -0.940 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -9.581 -4.496 -0.709 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -11.275 -5.152 -2.209 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -8.818 -3.986 -1.794 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -10.513 -4.642 -3.293 1.00 0.00 C ATOM 1619 CZ PHE A 105 -9.300 -4.070 -3.063 1.00 0.00 C ATOM 0 H PHE A 105 -12.775 -8.116 -0.317 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.166 -7.180 0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.671 -5.587 -0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.483 -4.962 1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.198 -4.429 0.299 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -12.237 -5.607 -2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.855 -3.532 -1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -10.896 -4.708 -4.301 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.720 -3.683 -3.888 1.00 0.00 H new ATOM 1629 N THR A 106 -11.175 -6.913 3.038 1.00 0.00 N ATOM 1630 CA THR A 106 -11.717 -6.994 4.383 1.00 0.00 C ATOM 1631 C THR A 106 -11.423 -5.705 5.155 1.00 0.00 C ATOM 1632 O THR A 106 -10.291 -5.225 5.159 1.00 0.00 O ATOM 1633 CB THR A 106 -11.144 -8.246 5.050 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.675 -9.322 4.282 1.00 0.00 O ATOM 1635 CG2 THR A 106 -11.711 -8.473 6.453 1.00 0.00 C ATOM 0 H THR A 106 -10.245 -6.498 2.977 1.00 0.00 H new ATOM 0 HA THR A 106 -12.803 -7.086 4.367 1.00 0.00 H new ATOM 0 HB THR A 106 -10.059 -8.163 5.106 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.352 -10.173 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.272 -9.374 6.882 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.473 -7.617 7.085 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.793 -8.590 6.394 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.463 -5.183 5.788 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.335 -3.948 6.544 1.00 0.00 C ATOM 1645 C ARG A 107 -11.537 -4.191 7.826 1.00 0.00 C ATOM 1646 O ARG A 107 -11.758 -5.182 8.521 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.709 -3.380 6.907 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.574 -2.030 7.614 1.00 0.00 C ATOM 1649 CD ARG A 107 -13.838 -2.168 9.115 1.00 0.00 C ATOM 1650 NE ARG A 107 -15.263 -2.492 9.350 1.00 0.00 N ATOM 1651 CZ ARG A 107 -15.787 -2.738 10.558 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -15.017 -2.661 11.652 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -17.083 -3.060 10.673 1.00 0.00 N ATOM 0 H ARG A 107 -13.397 -5.592 5.793 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.810 -3.228 5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.309 -3.264 6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.238 -4.081 7.552 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.573 -1.629 7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -14.276 -1.317 7.182 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -13.205 -2.950 9.534 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -13.578 -1.240 9.625 1.00 0.00 H new ATOM 0 HE ARG A 107 -15.884 -2.530 8.542 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -14.031 -2.415 11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -15.417 -2.848 12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -17.670 -3.118 9.841 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.482 -3.247 11.593 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.625 -3.271 8.101 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.873 -3.309 9.344 1.00 0.00 C ATOM 1669 C ILE A 108 -10.210 -2.070 10.176 1.00 0.00 C ATOM 1670 O ILE A 108 -10.316 -2.149 11.399 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.379 -3.473 9.062 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.664 -2.121 9.088 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -8.148 -4.218 7.746 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.522 -1.603 10.521 1.00 0.00 C ATOM 0 H ILE A 108 -10.389 -2.494 7.484 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.159 -4.179 9.936 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.947 -4.081 9.857 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.678 -2.218 8.633 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.221 -1.400 8.490 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.077 -4.321 7.569 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.603 -5.207 7.803 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.599 -3.658 6.927 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.010 -0.641 10.511 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.511 -1.484 10.964 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.944 -2.315 11.110 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.367 -0.954 9.480 1.00 0.00 N ATOM 1687 CA ARG A 109 -11.048 0.195 10.052 1.00 0.00 C ATOM 1688 C ARG A 109 -11.943 0.859 9.003 1.00 0.00 C ATOM 1689 O ARG A 109 -11.504 0.909 7.834 1.00 0.00 O ATOM 1690 CB ARG A 109 -10.046 1.223 10.581 1.00 0.00 C ATOM 1691 CG ARG A 109 -10.756 2.500 11.033 1.00 0.00 C ATOM 1692 CD ARG A 109 -10.601 3.611 9.993 1.00 0.00 C ATOM 1693 NE ARG A 109 -11.326 4.824 10.435 1.00 0.00 N ATOM 1694 CZ ARG A 109 -12.584 5.117 10.080 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -13.367 4.172 9.542 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -13.060 6.356 10.264 1.00 0.00 N ATOM 0 H ARG A 109 -10.034 -0.821 8.525 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.658 -0.162 10.882 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -9.490 0.797 11.416 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.320 1.462 9.803 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.814 2.294 11.195 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.345 2.830 11.987 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.545 3.841 9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.989 3.276 9.031 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.837 5.477 11.048 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.005 3.229 9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.325 4.396 9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.465 7.075 10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.018 6.580 9.994 1.00 0.00 H new TER 1710 ARG A 109