USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1012 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 LYS NZ :NH3+ 166:sc= -0.57 (180deg=-0.597) USER MOD Set 1.2: A 105 GLN :FLIP amide:sc= -1.28 F(o=-2.4,f=-1.8) USER MOD Set 2.1: A 58 MET CE :methyl 144:sc= -2.39 (180deg=-5.6!) USER MOD Set 2.2: A 97 MET CE :methyl -166:sc= -0.1 (180deg=-0.373) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1.5) USER MOD Single : A 4 SER OG : rot 32:sc= 0.0996 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 1.03 (180deg=0.447) USER MOD Single : A 13 SER OG : rot 180:sc= -1.07 USER MOD Single : A 19 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.84) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -70:sc= -0.182 USER MOD Single : A 32 THR OG1 : rot 79:sc= -0.828 USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= -1.42! (180deg=-2.69!) USER MOD Single : A 38 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.3) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 1:sc= -0.236 USER MOD Single : A 44 THR OG1 : rot -58:sc= 0.283 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.731 K(o=-0.73,f=-5.2!) USER MOD Single : A 51 THR OG1 : rot 44:sc= -0.34 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 79:sc= -1.11 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -148:sc= -0.251 (180deg=-1.39) USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00425) USER MOD Single : A 69 SER OG : rot 180:sc= -0.665 USER MOD Single : A 70 LYS NZ :NH3+ -110:sc= -0.259 (180deg=-1.37!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= -0.0053 (180deg=-0.352) USER MOD Single : A 75 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.34) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= -0.0108 (180deg=-0.114) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.022) USER MOD Single : A 88 MET CE :methyl -118:sc= -1.18 (180deg=-5.12!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0.02) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.0655 F(o=-0.57,f=-0.065) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc=-0.000723 K(o=-0.00072,f=-0.92) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 97:sc= 1.22 USER MOD Single : A 106 GLN :FLIP amide:sc= -0.591 F(o=-1.1,f=-0.59) USER MOD Single : A 109 SER OG : rot 77:sc= 0.291 USER MOD Single : A 111 TYR OH : rot 17:sc= -3.1 USER MOD Single : A 112 LYS NZ :NH3+ -176:sc= -0.078 (180deg=-0.0943) USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 SER OG : rot 91:sc= 0.958 USER MOD Single : B 99 THR OG1 : rot 180:sc= -0.0491 USER MOD Single : B 102 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.971 12.644 6.614 1.00 0.00 N ATOM 2 CA PRO A 1 -12.028 12.218 5.543 1.00 0.00 C ATOM 3 C PRO A 1 -10.620 12.771 5.774 1.00 0.00 C ATOM 4 O PRO A 1 -10.043 13.416 4.899 1.00 0.00 O ATOM 5 CB PRO A 1 -12.589 12.718 4.212 1.00 0.00 C ATOM 6 CG PRO A 1 -13.937 13.253 4.560 1.00 0.00 C ATOM 7 CD PRO A 1 -13.878 13.638 6.017 1.00 0.00 C ATOM 0 H2 PRO A 1 -12.464 13.046 7.403 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.495 11.846 6.972 1.00 0.00 H new ATOM 0 HA PRO A 1 -11.939 11.132 5.544 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -11.954 13.490 3.777 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -12.657 11.912 3.481 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.185 14.115 3.940 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -14.709 12.503 4.387 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -13.499 14.652 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -14.865 13.605 6.478 1.00 0.00 H new ATOM 17 N SER A 2 -10.077 12.511 6.958 1.00 0.00 N ATOM 18 CA SER A 2 -8.740 12.979 7.305 1.00 0.00 C ATOM 19 C SER A 2 -7.752 11.818 7.359 1.00 0.00 C ATOM 20 O SER A 2 -6.562 11.989 7.094 1.00 0.00 O ATOM 21 CB SER A 2 -8.765 13.704 8.653 1.00 0.00 C ATOM 22 OG SER A 2 -7.536 14.365 8.899 1.00 0.00 O ATOM 0 H SER A 2 -10.542 11.979 7.694 1.00 0.00 H new ATOM 0 HA SER A 2 -8.414 13.674 6.531 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.580 14.428 8.665 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.963 12.988 9.451 1.00 0.00 H new ATOM 0 HG SER A 2 -7.578 14.822 9.765 1.00 0.00 H new ATOM 28 N HIS A 3 -8.253 10.635 7.703 1.00 0.00 N ATOM 29 CA HIS A 3 -7.414 9.446 7.790 1.00 0.00 C ATOM 30 C HIS A 3 -8.260 8.177 7.741 1.00 0.00 C ATOM 31 O HIS A 3 -8.096 7.275 8.563 1.00 0.00 O ATOM 32 CB HIS A 3 -6.579 9.477 9.075 1.00 0.00 C ATOM 33 CG HIS A 3 -7.384 9.316 10.327 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.610 9.919 10.520 1.00 0.00 N ATOM 35 CD2 HIS A 3 -7.132 8.613 11.457 1.00 0.00 C ATOM 36 CE1 HIS A 3 -9.075 9.595 11.713 1.00 0.00 C ATOM 37 NE2 HIS A 3 -8.197 8.803 12.301 1.00 0.00 N ATOM 0 H HIS A 3 -9.235 10.475 7.926 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.742 9.441 6.932 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.833 8.684 9.030 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.038 10.422 9.122 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.256 8.014 11.657 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.013 9.922 12.136 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.295 8.398 13.232 1.00 0.00 H new ATOM 46 N SER A 4 -9.167 8.114 6.770 1.00 0.00 N ATOM 47 CA SER A 4 -10.039 6.957 6.611 1.00 0.00 C ATOM 48 C SER A 4 -10.972 7.135 5.416 1.00 0.00 C ATOM 49 O SER A 4 -11.634 8.164 5.281 1.00 0.00 O ATOM 50 CB SER A 4 -10.860 6.731 7.882 1.00 0.00 C ATOM 51 OG SER A 4 -11.583 7.897 8.237 1.00 0.00 O ATOM 0 H SER A 4 -9.316 8.852 6.082 1.00 0.00 H new ATOM 0 HA SER A 4 -9.411 6.085 6.431 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.552 5.903 7.729 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.198 6.447 8.700 1.00 0.00 H new ATOM 0 HG SER A 4 -11.830 8.388 7.426 1.00 0.00 H new ATOM 57 N GLY A 5 -11.023 6.124 4.554 1.00 0.00 N ATOM 58 CA GLY A 5 -11.881 6.184 3.388 1.00 0.00 C ATOM 59 C GLY A 5 -12.377 4.813 2.985 1.00 0.00 C ATOM 60 O GLY A 5 -11.764 3.805 3.330 1.00 0.00 O ATOM 0 H GLY A 5 -10.483 5.263 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.732 6.832 3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.335 6.632 2.558 1.00 0.00 H new ATOM 64 N ALA A 6 -13.485 4.767 2.259 1.00 0.00 N ATOM 65 CA ALA A 6 -14.047 3.495 1.825 1.00 0.00 C ATOM 66 C ALA A 6 -13.179 2.865 0.743 1.00 0.00 C ATOM 67 O ALA A 6 -13.223 3.269 -0.419 1.00 0.00 O ATOM 68 CB ALA A 6 -15.471 3.687 1.332 1.00 0.00 C ATOM 0 H ALA A 6 -14.010 5.589 1.960 1.00 0.00 H new ATOM 0 HA ALA A 6 -14.068 2.817 2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.877 2.728 1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -16.084 4.089 2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.475 4.382 0.492 1.00 0.00 H new ATOM 74 N ALA A 7 -12.383 1.876 1.139 1.00 0.00 N ATOM 75 CA ALA A 7 -11.493 1.189 0.211 1.00 0.00 C ATOM 76 C ALA A 7 -12.017 -0.201 -0.133 1.00 0.00 C ATOM 77 O ALA A 7 -12.974 -0.682 0.473 1.00 0.00 O ATOM 78 CB ALA A 7 -10.088 1.105 0.795 1.00 0.00 C ATOM 0 H ALA A 7 -12.337 1.533 2.098 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.456 1.766 -0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.432 0.590 0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.708 2.111 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.117 0.554 1.735 1.00 0.00 H new ATOM 84 N ILE A 8 -11.388 -0.837 -1.116 1.00 0.00 N ATOM 85 CA ILE A 8 -11.792 -2.167 -1.553 1.00 0.00 C ATOM 86 C ILE A 8 -10.658 -3.174 -1.389 1.00 0.00 C ATOM 87 O ILE A 8 -9.487 -2.840 -1.567 1.00 0.00 O ATOM 88 CB ILE A 8 -12.249 -2.147 -3.025 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.367 -1.108 -3.198 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.702 -3.537 -3.468 1.00 0.00 C ATOM 91 CD1 ILE A 8 -14.440 -1.504 -4.188 1.00 0.00 C ATOM 0 H ILE A 8 -10.594 -0.450 -1.626 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.626 -2.473 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.411 -1.863 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.832 -0.928 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.924 -0.165 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.021 -3.501 -4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.875 -4.239 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.535 -3.864 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.189 -0.714 -4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.991 -1.654 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.914 -2.429 -3.860 1.00 0.00 H new ATOM 103 N PHE A 9 -11.017 -4.410 -1.053 1.00 0.00 N ATOM 104 CA PHE A 9 -10.032 -5.468 -0.870 1.00 0.00 C ATOM 105 C PHE A 9 -10.603 -6.805 -1.321 1.00 0.00 C ATOM 106 O PHE A 9 -11.780 -7.087 -1.109 1.00 0.00 O ATOM 107 CB PHE A 9 -9.604 -5.550 0.596 1.00 0.00 C ATOM 108 CG PHE A 9 -8.338 -6.328 0.810 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.102 -5.743 0.582 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.382 -7.646 1.236 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.936 -6.458 0.777 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.219 -8.365 1.433 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.994 -7.770 1.203 1.00 0.00 C ATOM 0 H PHE A 9 -11.983 -4.702 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.158 -5.235 -1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.470 -4.540 0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.405 -6.010 1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.050 -4.717 0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.337 -8.117 1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.979 -5.991 0.596 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.268 -9.391 1.766 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.083 -8.330 1.356 1.00 0.00 H new ATOM 123 N GLU A 10 -9.770 -7.623 -1.952 1.00 0.00 N ATOM 124 CA GLU A 10 -10.206 -8.929 -2.436 1.00 0.00 C ATOM 125 C GLU A 10 -11.475 -8.804 -3.278 1.00 0.00 C ATOM 126 O GLU A 10 -12.282 -9.731 -3.340 1.00 0.00 O ATOM 127 CB GLU A 10 -10.453 -9.874 -1.258 1.00 0.00 C ATOM 128 CG GLU A 10 -9.218 -10.651 -0.833 1.00 0.00 C ATOM 129 CD GLU A 10 -9.419 -11.395 0.473 1.00 0.00 C ATOM 130 OE1 GLU A 10 -10.536 -11.904 0.701 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.458 -11.467 1.269 1.00 0.00 O ATOM 0 H GLU A 10 -8.791 -7.407 -2.141 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.415 -9.339 -3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.818 -9.296 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.241 -10.578 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.954 -11.362 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.378 -9.964 -0.730 1.00 0.00 H new ATOM 138 N LYS A 11 -11.639 -7.648 -3.924 1.00 0.00 N ATOM 139 CA LYS A 11 -12.803 -7.379 -4.772 1.00 0.00 C ATOM 140 C LYS A 11 -14.011 -6.925 -3.952 1.00 0.00 C ATOM 141 O LYS A 11 -15.052 -6.583 -4.515 1.00 0.00 O ATOM 142 CB LYS A 11 -13.174 -8.609 -5.609 1.00 0.00 C ATOM 143 CG LYS A 11 -11.980 -9.284 -6.266 1.00 0.00 C ATOM 144 CD LYS A 11 -12.129 -10.797 -6.277 1.00 0.00 C ATOM 145 CE LYS A 11 -11.262 -11.454 -5.213 1.00 0.00 C ATOM 146 NZ LYS A 11 -12.080 -12.173 -4.197 1.00 0.00 N ATOM 0 H LYS A 11 -10.974 -6.876 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.523 -6.567 -5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.683 -9.332 -4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.883 -8.311 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.873 -8.921 -7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.069 -9.011 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.173 -11.061 -6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.855 -11.183 -7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.574 -12.154 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.655 -10.695 -4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.466 -12.796 -3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.540 -11.483 -3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.806 -12.743 -4.676 1.00 0.00 H new ATOM 160 N VAL A 12 -13.876 -6.911 -2.627 1.00 0.00 N ATOM 161 CA VAL A 12 -14.965 -6.487 -1.761 1.00 0.00 C ATOM 162 C VAL A 12 -14.712 -5.085 -1.225 1.00 0.00 C ATOM 163 O VAL A 12 -13.601 -4.761 -0.806 1.00 0.00 O ATOM 164 CB VAL A 12 -15.175 -7.468 -0.588 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.997 -7.462 0.374 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.472 -7.159 0.145 1.00 0.00 C ATOM 0 H VAL A 12 -13.026 -7.188 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.873 -6.480 -2.364 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.244 -8.471 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.186 -8.166 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.092 -7.755 -0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.868 -6.461 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.601 -7.862 0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.435 -6.143 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.311 -7.251 -0.545 1.00 0.00 H new ATOM 176 N SER A 13 -15.739 -4.248 -1.256 1.00 0.00 N ATOM 177 CA SER A 13 -15.606 -2.880 -0.781 1.00 0.00 C ATOM 178 C SER A 13 -15.859 -2.794 0.717 1.00 0.00 C ATOM 179 O SER A 13 -16.852 -3.317 1.224 1.00 0.00 O ATOM 180 CB SER A 13 -16.566 -1.955 -1.525 1.00 0.00 C ATOM 181 OG SER A 13 -16.882 -2.469 -2.807 1.00 0.00 O ATOM 0 H SER A 13 -16.667 -4.490 -1.603 1.00 0.00 H new ATOM 0 HA SER A 13 -14.583 -2.559 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.480 -1.832 -0.944 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.118 -0.967 -1.627 1.00 0.00 H new ATOM 0 HG SER A 13 -17.499 -1.858 -3.261 1.00 0.00 H new ATOM 187 N GLY A 14 -14.953 -2.125 1.418 1.00 0.00 N ATOM 188 CA GLY A 14 -15.088 -1.970 2.850 1.00 0.00 C ATOM 189 C GLY A 14 -14.783 -0.558 3.301 1.00 0.00 C ATOM 190 O GLY A 14 -15.216 0.408 2.675 1.00 0.00 O ATOM 0 H GLY A 14 -14.124 -1.686 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.102 -2.234 3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.416 -2.664 3.354 1.00 0.00 H new ATOM 194 N ILE A 15 -14.029 -0.439 4.385 1.00 0.00 N ATOM 195 CA ILE A 15 -13.660 0.866 4.914 1.00 0.00 C ATOM 196 C ILE A 15 -12.210 0.877 5.362 1.00 0.00 C ATOM 197 O ILE A 15 -11.817 0.117 6.241 1.00 0.00 O ATOM 198 CB ILE A 15 -14.541 1.268 6.111 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.006 0.905 5.846 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.386 2.755 6.406 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.692 1.799 4.837 1.00 0.00 C ATOM 0 H ILE A 15 -13.661 -1.229 4.915 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.808 1.582 4.106 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.213 0.713 6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.056 -0.126 5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.556 0.948 6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.015 3.025 7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.344 2.972 6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.688 3.333 5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.725 1.475 4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.677 2.829 5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.169 1.738 3.882 1.00 0.00 H new ATOM 213 N ILE A 16 -11.424 1.756 4.769 1.00 0.00 N ATOM 214 CA ILE A 16 -10.023 1.876 5.124 1.00 0.00 C ATOM 215 C ILE A 16 -9.849 3.008 6.126 1.00 0.00 C ATOM 216 O ILE A 16 -10.259 4.138 5.874 1.00 0.00 O ATOM 217 CB ILE A 16 -9.149 2.105 3.862 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.409 0.816 3.499 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.157 3.244 4.042 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.502 0.953 2.294 1.00 0.00 C ATOM 0 H ILE A 16 -11.733 2.398 4.039 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.691 0.945 5.584 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.819 2.387 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.815 0.495 4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.139 0.030 3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.570 3.363 3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.697 4.168 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.492 3.019 4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.012 -0.000 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.093 1.243 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.748 1.715 2.491 1.00 0.00 H new ATOM 232 N ALA A 17 -9.267 2.696 7.273 1.00 0.00 N ATOM 233 CA ALA A 17 -9.078 3.696 8.311 1.00 0.00 C ATOM 234 C ALA A 17 -7.730 3.535 9.007 1.00 0.00 C ATOM 235 O ALA A 17 -7.340 2.430 9.382 1.00 0.00 O ATOM 236 CB ALA A 17 -10.220 3.614 9.313 1.00 0.00 C ATOM 0 H ALA A 17 -8.920 1.766 7.508 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.081 4.681 7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.077 4.364 10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.166 3.796 8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.237 2.622 9.765 1.00 0.00 H new ATOM 242 N ILE A 18 -7.025 4.651 9.172 1.00 0.00 N ATOM 243 CA ILE A 18 -5.720 4.646 9.820 1.00 0.00 C ATOM 244 C ILE A 18 -5.854 4.810 11.331 1.00 0.00 C ATOM 245 O ILE A 18 -6.414 5.795 11.811 1.00 0.00 O ATOM 246 CB ILE A 18 -4.819 5.771 9.267 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.708 5.664 7.745 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.437 5.719 9.907 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.772 6.447 7.007 1.00 0.00 C ATOM 0 H ILE A 18 -7.338 5.572 8.864 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.261 3.681 9.605 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.274 6.729 9.516 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.725 6.019 7.434 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.774 4.615 7.456 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.819 6.520 9.503 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.531 5.842 10.986 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.972 4.757 9.691 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.633 6.326 5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.758 6.077 7.289 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.693 7.503 7.267 1.00 0.00 H new ATOM 261 N ASN A 19 -5.330 3.842 12.073 1.00 0.00 N ATOM 262 CA ASN A 19 -5.384 3.880 13.529 1.00 0.00 C ATOM 263 C ASN A 19 -4.180 4.627 14.091 1.00 0.00 C ATOM 264 O ASN A 19 -3.079 4.083 14.166 1.00 0.00 O ATOM 265 CB ASN A 19 -5.429 2.460 14.097 1.00 0.00 C ATOM 266 CG ASN A 19 -6.265 2.369 15.359 1.00 0.00 C ATOM 267 OD1 ASN A 19 -7.327 2.982 15.460 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.787 1.600 16.331 1.00 0.00 N ATOM 0 H ASN A 19 -4.862 3.020 11.690 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.291 4.408 13.824 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.836 1.784 13.345 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.414 2.125 14.312 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.305 1.500 17.204 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.902 1.109 16.205 1.00 0.00 H new ATOM 275 N GLU A 20 -4.397 5.878 14.485 1.00 0.00 N ATOM 276 CA GLU A 20 -3.328 6.700 15.041 1.00 0.00 C ATOM 277 C GLU A 20 -3.252 6.557 16.559 1.00 0.00 C ATOM 278 O GLU A 20 -2.624 7.370 17.236 1.00 0.00 O ATOM 279 CB GLU A 20 -3.535 8.167 14.664 1.00 0.00 C ATOM 280 CG GLU A 20 -3.670 8.398 13.168 1.00 0.00 C ATOM 281 CD GLU A 20 -3.066 9.717 12.726 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.970 10.061 13.214 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.689 10.405 11.890 1.00 0.00 O ATOM 0 H GLU A 20 -5.303 6.344 14.430 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.385 6.352 14.619 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.430 8.539 15.163 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.695 8.752 15.039 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.184 7.582 12.633 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.725 8.375 12.894 1.00 0.00 H new ATOM 290 N ASP A 21 -3.884 5.513 17.090 1.00 0.00 N ATOM 291 CA ASP A 21 -3.871 5.263 18.525 1.00 0.00 C ATOM 292 C ASP A 21 -2.679 4.388 18.898 1.00 0.00 C ATOM 293 O ASP A 21 -2.308 4.289 20.069 1.00 0.00 O ATOM 294 CB ASP A 21 -5.173 4.588 18.960 1.00 0.00 C ATOM 295 CG ASP A 21 -6.388 5.461 18.712 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.231 6.701 18.681 1.00 0.00 O ATOM 297 OD2 ASP A 21 -7.495 4.906 18.549 1.00 0.00 O ATOM 0 H ASP A 21 -4.410 4.829 16.547 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.782 6.219 19.042 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.289 3.647 18.422 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.115 4.343 20.021 1.00 0.00 H new ATOM 302 N VAL A 22 -2.081 3.758 17.891 1.00 0.00 N ATOM 303 CA VAL A 22 -0.928 2.894 18.098 1.00 0.00 C ATOM 304 C VAL A 22 0.366 3.706 18.057 1.00 0.00 C ATOM 305 O VAL A 22 0.337 4.933 18.159 1.00 0.00 O ATOM 306 CB VAL A 22 -0.877 1.787 17.028 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.068 0.851 17.172 1.00 0.00 C ATOM 308 CG2 VAL A 22 -0.838 2.402 15.640 1.00 0.00 C ATOM 0 H VAL A 22 -2.380 3.832 16.919 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.028 2.432 19.080 1.00 0.00 H new ATOM 0 HB VAL A 22 0.032 1.202 17.171 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.016 0.075 16.408 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.051 0.390 18.159 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.992 1.417 17.052 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.802 1.610 14.892 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.731 3.007 15.485 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.047 3.031 15.545 1.00 0.00 H new ATOM 318 N SER A 23 1.499 3.024 17.911 1.00 0.00 N ATOM 319 CA SER A 23 2.790 3.701 17.863 1.00 0.00 C ATOM 320 C SER A 23 3.249 3.922 16.422 1.00 0.00 C ATOM 321 O SER A 23 3.564 5.047 16.034 1.00 0.00 O ATOM 322 CB SER A 23 3.844 2.900 18.634 1.00 0.00 C ATOM 323 OG SER A 23 3.238 1.924 19.464 1.00 0.00 O ATOM 0 H SER A 23 1.549 2.009 17.824 1.00 0.00 H new ATOM 0 HA SER A 23 2.670 4.677 18.334 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.521 2.414 17.932 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.446 3.576 19.242 1.00 0.00 H new ATOM 0 HG SER A 23 3.932 1.426 19.944 1.00 0.00 H new ATOM 329 N PRO A 24 3.302 2.853 15.605 1.00 0.00 N ATOM 330 CA PRO A 24 3.733 2.940 14.214 1.00 0.00 C ATOM 331 C PRO A 24 2.594 3.254 13.256 1.00 0.00 C ATOM 332 O PRO A 24 2.754 3.197 12.039 1.00 0.00 O ATOM 333 CB PRO A 24 4.283 1.541 13.924 1.00 0.00 C ATOM 334 CG PRO A 24 3.909 0.677 15.096 1.00 0.00 C ATOM 335 CD PRO A 24 2.964 1.475 15.956 1.00 0.00 C ATOM 0 HA PRO A 24 4.453 3.746 14.073 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.862 1.144 13.001 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.365 1.570 13.794 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.436 -0.245 14.758 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.796 0.392 15.662 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.922 1.244 15.735 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.116 1.278 17.017 1.00 0.00 H new ATOM 343 N ALA A 25 1.454 3.580 13.823 1.00 0.00 N ATOM 344 CA ALA A 25 0.258 3.906 13.052 1.00 0.00 C ATOM 345 C ALA A 25 -0.076 2.799 12.054 1.00 0.00 C ATOM 346 O ALA A 25 0.681 2.536 11.120 1.00 0.00 O ATOM 347 CB ALA A 25 0.435 5.237 12.339 1.00 0.00 C ATOM 0 H ALA A 25 1.322 3.629 14.833 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.579 3.991 13.745 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.465 5.467 11.768 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.609 6.023 13.074 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.288 5.177 11.663 1.00 0.00 H new ATOM 353 N GLU A 26 -1.215 2.148 12.262 1.00 0.00 N ATOM 354 CA GLU A 26 -1.645 1.064 11.387 1.00 0.00 C ATOM 355 C GLU A 26 -2.864 1.472 10.562 1.00 0.00 C ATOM 356 O GLU A 26 -3.549 2.443 10.880 1.00 0.00 O ATOM 357 CB GLU A 26 -1.977 -0.179 12.214 1.00 0.00 C ATOM 358 CG GLU A 26 -0.846 -0.626 13.125 1.00 0.00 C ATOM 359 CD GLU A 26 -1.080 -2.003 13.712 1.00 0.00 C ATOM 360 OE1 GLU A 26 -1.507 -2.905 12.960 1.00 0.00 O ATOM 361 OE2 GLU A 26 -0.835 -2.181 14.923 1.00 0.00 O ATOM 0 H GLU A 26 -1.857 2.352 13.028 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.826 0.839 10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.861 0.023 12.819 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.233 -0.996 11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.088 -0.628 12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.730 0.095 13.934 1.00 0.00 H new ATOM 368 N LEU A 27 -3.130 0.706 9.512 1.00 0.00 N ATOM 369 CA LEU A 27 -4.268 0.953 8.637 1.00 0.00 C ATOM 370 C LEU A 27 -5.225 -0.233 8.714 1.00 0.00 C ATOM 371 O LEU A 27 -4.898 -1.331 8.265 1.00 0.00 O ATOM 372 CB LEU A 27 -3.792 1.162 7.197 1.00 0.00 C ATOM 373 CG LEU A 27 -4.901 1.440 6.177 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.574 2.679 5.357 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.106 0.238 5.266 1.00 0.00 C ATOM 0 H LEU A 27 -2.566 -0.100 9.244 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.786 1.856 8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.089 1.995 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.243 0.275 6.880 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.828 1.621 6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.373 2.861 4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.480 3.539 6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.635 2.526 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.898 0.456 4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.181 0.025 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.387 -0.629 5.865 1.00 0.00 H new ATOM 387 N THR A 28 -6.389 -0.021 9.317 1.00 0.00 N ATOM 388 CA THR A 28 -7.363 -1.095 9.484 1.00 0.00 C ATOM 389 C THR A 28 -8.520 -0.995 8.497 1.00 0.00 C ATOM 390 O THR A 28 -9.298 -0.042 8.528 1.00 0.00 O ATOM 391 CB THR A 28 -7.908 -1.083 10.912 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.850 -1.055 11.854 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.775 -2.282 11.231 1.00 0.00 C ATOM 0 H THR A 28 -6.681 0.879 9.697 1.00 0.00 H new ATOM 0 HA THR A 28 -6.844 -2.032 9.285 1.00 0.00 H new ATOM 0 HB THR A 28 -8.520 -0.183 10.980 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.220 -1.046 12.761 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.129 -2.212 12.259 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.629 -2.304 10.554 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.192 -3.195 11.110 1.00 0.00 H new ATOM 401 N TRP A 29 -8.640 -2.005 7.640 1.00 0.00 N ATOM 402 CA TRP A 29 -9.710 -2.059 6.664 1.00 0.00 C ATOM 403 C TRP A 29 -10.925 -2.769 7.253 1.00 0.00 C ATOM 404 O TRP A 29 -10.900 -3.980 7.472 1.00 0.00 O ATOM 405 CB TRP A 29 -9.248 -2.797 5.409 1.00 0.00 C ATOM 406 CG TRP A 29 -10.350 -3.007 4.419 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.906 -2.061 3.620 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.038 -4.230 4.139 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.896 -2.616 2.842 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.996 -3.950 3.146 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.934 -5.535 4.628 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.844 -4.930 2.634 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.778 -6.505 4.120 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.720 -6.198 3.132 1.00 0.00 C ATOM 0 H TRP A 29 -8.002 -2.800 7.607 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.984 -1.038 6.397 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.444 -2.232 4.936 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.833 -3.764 5.694 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.613 -1.022 3.598 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.461 -2.118 2.154 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.208 -5.781 5.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.573 -4.697 1.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.709 -7.517 4.492 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.363 -6.979 2.754 1.00 0.00 H new ATOM 425 N ARG A 30 -11.985 -2.015 7.497 1.00 0.00 N ATOM 426 CA ARG A 30 -13.210 -2.580 8.048 1.00 0.00 C ATOM 427 C ARG A 30 -14.296 -2.623 6.981 1.00 0.00 C ATOM 428 O ARG A 30 -14.758 -1.585 6.514 1.00 0.00 O ATOM 429 CB ARG A 30 -13.685 -1.756 9.248 1.00 0.00 C ATOM 430 CG ARG A 30 -12.807 -1.912 10.478 1.00 0.00 C ATOM 431 CD ARG A 30 -13.569 -1.590 11.754 1.00 0.00 C ATOM 432 NE ARG A 30 -13.123 -0.335 12.356 1.00 0.00 N ATOM 433 CZ ARG A 30 -13.513 0.868 11.941 1.00 0.00 C ATOM 434 NH1 ARG A 30 -14.357 0.985 10.924 1.00 0.00 N ATOM 435 NH2 ARG A 30 -13.058 1.957 12.545 1.00 0.00 N ATOM 0 H ARG A 30 -12.024 -1.011 7.323 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.003 -3.597 8.382 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.717 -0.704 8.966 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.704 -2.050 9.500 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.428 -2.933 10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.942 -1.254 10.394 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.635 -1.528 11.534 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.438 -2.402 12.469 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.474 -0.384 13.141 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.710 0.150 10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.652 1.909 10.610 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.409 1.873 13.328 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.357 2.879 12.227 1.00 0.00 H new ATOM 449 N SER A 31 -14.698 -3.832 6.594 1.00 0.00 N ATOM 450 CA SER A 31 -15.725 -4.005 5.570 1.00 0.00 C ATOM 451 C SER A 31 -16.924 -3.099 5.833 1.00 0.00 C ATOM 452 O SER A 31 -17.071 -2.549 6.925 1.00 0.00 O ATOM 453 CB SER A 31 -16.175 -5.466 5.510 1.00 0.00 C ATOM 454 OG SER A 31 -16.901 -5.826 6.673 1.00 0.00 O ATOM 0 H SER A 31 -14.329 -4.704 6.973 1.00 0.00 H new ATOM 0 HA SER A 31 -15.291 -3.726 4.610 1.00 0.00 H new ATOM 0 HB2 SER A 31 -16.796 -5.622 4.628 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.304 -6.114 5.406 1.00 0.00 H new ATOM 0 HG SER A 31 -16.293 -5.861 7.440 1.00 0.00 H new ATOM 460 N THR A 32 -17.777 -2.950 4.827 1.00 0.00 N ATOM 461 CA THR A 32 -18.960 -2.115 4.948 1.00 0.00 C ATOM 462 C THR A 32 -20.004 -2.818 5.791 1.00 0.00 C ATOM 463 O THR A 32 -20.663 -2.211 6.635 1.00 0.00 O ATOM 464 CB THR A 32 -19.532 -1.800 3.567 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.746 -2.392 2.546 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.617 -0.318 3.278 1.00 0.00 C ATOM 0 H THR A 32 -17.669 -3.399 3.917 1.00 0.00 H new ATOM 0 HA THR A 32 -18.680 -1.180 5.432 1.00 0.00 H new ATOM 0 HB THR A 32 -20.541 -2.212 3.575 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.967 -3.344 2.474 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.031 -0.165 2.282 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.261 0.160 4.016 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.620 0.120 3.328 1.00 0.00 H new ATOM 474 N ASP A 33 -20.141 -4.109 5.547 1.00 0.00 N ATOM 475 CA ASP A 33 -21.099 -4.927 6.268 1.00 0.00 C ATOM 476 C ASP A 33 -20.558 -5.322 7.635 1.00 0.00 C ATOM 477 O ASP A 33 -21.299 -5.386 8.617 1.00 0.00 O ATOM 478 CB ASP A 33 -21.452 -6.177 5.460 1.00 0.00 C ATOM 479 CG ASP A 33 -22.462 -5.892 4.367 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.600 -5.495 4.698 1.00 0.00 O ATOM 481 OD2 ASP A 33 -22.116 -6.064 3.179 1.00 0.00 O ATOM 0 H ASP A 33 -19.596 -4.616 4.850 1.00 0.00 H new ATOM 0 HA ASP A 33 -22.003 -4.336 6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.545 -6.587 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -21.851 -6.939 6.130 1.00 0.00 H new ATOM 486 N GLY A 34 -19.262 -5.588 7.688 1.00 0.00 N ATOM 487 CA GLY A 34 -18.632 -5.976 8.935 1.00 0.00 C ATOM 488 C GLY A 34 -18.323 -7.459 8.988 1.00 0.00 C ATOM 489 O GLY A 34 -18.239 -8.045 10.068 1.00 0.00 O ATOM 0 H GLY A 34 -18.632 -5.542 6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.709 -5.410 9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.286 -5.714 9.767 1.00 0.00 H new ATOM 493 N ASP A 35 -18.153 -8.067 7.819 1.00 0.00 N ATOM 494 CA ASP A 35 -17.852 -9.490 7.734 1.00 0.00 C ATOM 495 C ASP A 35 -16.384 -9.724 7.390 1.00 0.00 C ATOM 496 O ASP A 35 -15.860 -10.819 7.592 1.00 0.00 O ATOM 497 CB ASP A 35 -18.746 -10.159 6.689 1.00 0.00 C ATOM 498 CG ASP A 35 -19.166 -11.557 7.097 1.00 0.00 C ATOM 499 OD1 ASP A 35 -19.215 -11.830 8.316 1.00 0.00 O ATOM 500 OD2 ASP A 35 -19.448 -12.378 6.200 1.00 0.00 O ATOM 0 H ASP A 35 -18.219 -7.595 6.917 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.048 -9.933 8.710 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -19.634 -9.548 6.530 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.216 -10.205 5.738 1.00 0.00 H new ATOM 505 N LYS A 36 -15.724 -8.693 6.869 1.00 0.00 N ATOM 506 CA LYS A 36 -14.317 -8.802 6.500 1.00 0.00 C ATOM 507 C LYS A 36 -13.502 -7.663 7.100 1.00 0.00 C ATOM 508 O LYS A 36 -13.968 -6.525 7.178 1.00 0.00 O ATOM 509 CB LYS A 36 -14.166 -8.813 4.979 1.00 0.00 C ATOM 510 CG LYS A 36 -14.900 -9.961 4.305 1.00 0.00 C ATOM 511 CD LYS A 36 -15.436 -9.557 2.940 1.00 0.00 C ATOM 512 CE LYS A 36 -14.609 -10.159 1.815 1.00 0.00 C ATOM 513 NZ LYS A 36 -13.154 -9.899 1.996 1.00 0.00 N ATOM 0 H LYS A 36 -16.139 -7.778 6.694 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.936 -9.741 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.537 -7.870 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.107 -8.872 4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.226 -10.810 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.725 -10.288 4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.472 -9.881 2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.433 -8.470 2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.783 -11.234 1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.936 -9.744 0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.690 -9.860 1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.022 -8.992 2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.732 -10.663 2.561 1.00 0.00 H new ATOM 527 N VAL A 37 -12.285 -7.979 7.530 1.00 0.00 N ATOM 528 CA VAL A 37 -11.407 -6.986 8.130 1.00 0.00 C ATOM 529 C VAL A 37 -9.947 -7.231 7.740 1.00 0.00 C ATOM 530 O VAL A 37 -9.570 -8.345 7.378 1.00 0.00 O ATOM 531 CB VAL A 37 -11.555 -6.977 9.673 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.377 -7.656 10.361 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.729 -5.555 10.179 1.00 0.00 C ATOM 0 H VAL A 37 -11.886 -8.916 7.473 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.704 -6.010 7.747 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.448 -7.551 9.923 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.521 -7.628 11.441 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.311 -8.693 10.031 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.455 -7.134 10.104 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.832 -5.565 11.264 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.858 -4.961 9.902 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.623 -5.117 9.734 1.00 0.00 H new ATOM 543 N HIS A 38 -9.134 -6.182 7.820 1.00 0.00 N ATOM 544 CA HIS A 38 -7.718 -6.279 7.479 1.00 0.00 C ATOM 545 C HIS A 38 -6.915 -5.202 8.200 1.00 0.00 C ATOM 546 O HIS A 38 -7.409 -4.100 8.434 1.00 0.00 O ATOM 547 CB HIS A 38 -7.522 -6.155 5.967 1.00 0.00 C ATOM 548 CG HIS A 38 -6.320 -6.888 5.457 1.00 0.00 C ATOM 549 ND1 HIS A 38 -5.976 -8.155 5.880 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.378 -6.526 4.554 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.875 -8.540 5.259 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.493 -7.570 4.449 1.00 0.00 N ATOM 0 H HIS A 38 -9.432 -5.253 8.119 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.357 -7.256 7.802 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.410 -6.534 5.461 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.432 -5.101 5.706 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.332 -5.590 4.017 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.373 -9.487 5.392 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.673 -7.593 3.843 1.00 0.00 H new ATOM 561 N THR A 39 -5.675 -5.525 8.557 1.00 0.00 N ATOM 562 CA THR A 39 -4.815 -4.578 9.257 1.00 0.00 C ATOM 563 C THR A 39 -3.479 -4.407 8.539 1.00 0.00 C ATOM 564 O THR A 39 -2.840 -5.383 8.148 1.00 0.00 O ATOM 565 CB THR A 39 -4.575 -5.045 10.693 1.00 0.00 C ATOM 566 OG1 THR A 39 -5.754 -5.604 11.243 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.122 -3.933 11.616 1.00 0.00 C ATOM 0 H THR A 39 -5.245 -6.432 8.374 1.00 0.00 H new ATOM 0 HA THR A 39 -5.322 -3.613 9.270 1.00 0.00 H new ATOM 0 HB THR A 39 -3.780 -5.788 10.625 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.579 -5.898 12.161 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.970 -4.332 12.619 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.187 -3.512 11.247 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.883 -3.153 11.647 1.00 0.00 H new ATOM 575 N VAL A 40 -3.060 -3.154 8.377 1.00 0.00 N ATOM 576 CA VAL A 40 -1.797 -2.843 7.715 1.00 0.00 C ATOM 577 C VAL A 40 -0.949 -1.942 8.582 1.00 0.00 C ATOM 578 O VAL A 40 -1.420 -0.931 9.091 1.00 0.00 O ATOM 579 CB VAL A 40 -2.020 -2.153 6.358 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.857 -1.233 5.990 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.229 -3.194 5.282 1.00 0.00 C ATOM 0 H VAL A 40 -3.579 -2.336 8.696 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.285 -3.791 7.549 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.912 -1.532 6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.054 -0.766 5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.749 -0.461 6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.063 -1.815 5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.386 -2.700 4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.349 -3.835 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.102 -3.799 5.526 1.00 0.00 H new ATOM 591 N VAL A 41 0.309 -2.293 8.733 1.00 0.00 N ATOM 592 CA VAL A 41 1.205 -1.476 9.528 1.00 0.00 C ATOM 593 C VAL A 41 2.083 -0.605 8.638 1.00 0.00 C ATOM 594 O VAL A 41 3.035 -1.083 8.021 1.00 0.00 O ATOM 595 CB VAL A 41 2.068 -2.318 10.487 1.00 0.00 C ATOM 596 CG1 VAL A 41 3.094 -1.449 11.206 1.00 0.00 C ATOM 597 CG2 VAL A 41 1.173 -3.026 11.491 1.00 0.00 C ATOM 0 H VAL A 41 0.732 -3.126 8.323 1.00 0.00 H new ATOM 0 HA VAL A 41 0.580 -0.827 10.142 1.00 0.00 H new ATOM 0 HB VAL A 41 2.612 -3.062 9.905 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.690 -2.069 11.877 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.747 -0.976 10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.580 -0.681 11.783 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.786 -3.621 12.168 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.612 -2.287 12.063 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.478 -3.679 10.962 1.00 0.00 H new ATOM 607 N LEU A 42 1.744 0.677 8.577 1.00 0.00 N ATOM 608 CA LEU A 42 2.480 1.635 7.764 1.00 0.00 C ATOM 609 C LEU A 42 3.981 1.578 8.052 1.00 0.00 C ATOM 610 O LEU A 42 4.797 1.944 7.207 1.00 0.00 O ATOM 611 CB LEU A 42 1.945 3.047 8.013 1.00 0.00 C ATOM 612 CG LEU A 42 0.625 3.374 7.307 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.749 3.131 5.811 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.516 2.551 7.893 1.00 0.00 C ATOM 0 H LEU A 42 0.957 1.079 9.086 1.00 0.00 H new ATOM 0 HA LEU A 42 2.334 1.373 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.809 3.184 9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.699 3.766 7.693 1.00 0.00 H new ATOM 0 HG LEU A 42 0.401 4.429 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.197 3.368 5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.536 3.766 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.997 2.085 5.632 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.444 2.798 7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.302 1.490 7.766 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.619 2.776 8.955 1.00 0.00 H new ATOM 626 N SER A 43 4.342 1.117 9.248 1.00 0.00 N ATOM 627 CA SER A 43 5.746 1.014 9.636 1.00 0.00 C ATOM 628 C SER A 43 6.464 -0.052 8.816 1.00 0.00 C ATOM 629 O SER A 43 7.657 0.064 8.533 1.00 0.00 O ATOM 630 CB SER A 43 5.867 0.698 11.128 1.00 0.00 C ATOM 631 OG SER A 43 6.374 1.810 11.845 1.00 0.00 O ATOM 0 H SER A 43 3.683 0.810 9.963 1.00 0.00 H new ATOM 0 HA SER A 43 6.220 1.976 9.438 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.890 0.420 11.524 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.524 -0.160 11.269 1.00 0.00 H new ATOM 0 HG SER A 43 6.525 2.556 11.228 1.00 0.00 H new ATOM 637 N THR A 44 5.726 -1.082 8.435 1.00 0.00 N ATOM 638 CA THR A 44 6.282 -2.172 7.638 1.00 0.00 C ATOM 639 C THR A 44 6.130 -1.873 6.158 1.00 0.00 C ATOM 640 O THR A 44 6.955 -2.273 5.337 1.00 0.00 O ATOM 641 CB THR A 44 5.590 -3.497 7.969 1.00 0.00 C ATOM 642 OG1 THR A 44 4.426 -3.669 7.179 1.00 0.00 O ATOM 643 CG2 THR A 44 5.174 -3.609 9.418 1.00 0.00 C ATOM 0 H THR A 44 4.738 -1.189 8.664 1.00 0.00 H new ATOM 0 HA THR A 44 7.341 -2.261 7.880 1.00 0.00 H new ATOM 0 HB THR A 44 6.331 -4.267 7.756 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.816 -2.917 7.327 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.690 -4.571 9.584 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.054 -3.530 10.056 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.478 -2.806 9.660 1.00 0.00 H new ATOM 651 N ILE A 45 5.057 -1.170 5.831 1.00 0.00 N ATOM 652 CA ILE A 45 4.766 -0.807 4.451 1.00 0.00 C ATOM 653 C ILE A 45 6.006 -0.259 3.749 1.00 0.00 C ATOM 654 O ILE A 45 6.409 0.881 3.976 1.00 0.00 O ATOM 655 CB ILE A 45 3.622 0.229 4.373 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.320 -0.380 4.898 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.435 0.726 2.944 1.00 0.00 C ATOM 658 CD1 ILE A 45 1.973 -1.709 4.260 1.00 0.00 C ATOM 0 H ILE A 45 4.369 -0.837 6.506 1.00 0.00 H new ATOM 0 HA ILE A 45 4.449 -1.717 3.941 1.00 0.00 H new ATOM 0 HB ILE A 45 3.890 1.081 4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.400 -0.514 5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.504 0.321 4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.624 1.454 2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.356 1.195 2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.191 -0.115 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.039 -2.081 4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.860 -1.578 3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.770 -2.426 4.456 1.00 0.00 H new ATOM 670 N ASP A 46 6.603 -1.085 2.896 1.00 0.00 N ATOM 671 CA ASP A 46 7.798 -0.694 2.159 1.00 0.00 C ATOM 672 C ASP A 46 7.546 0.570 1.343 1.00 0.00 C ATOM 673 O ASP A 46 8.452 1.380 1.143 1.00 0.00 O ATOM 674 CB ASP A 46 8.248 -1.827 1.237 1.00 0.00 C ATOM 675 CG ASP A 46 9.758 -1.960 1.180 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.451 -0.936 1.359 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.247 -3.088 0.957 1.00 0.00 O ATOM 0 H ASP A 46 6.277 -2.031 2.698 1.00 0.00 H new ATOM 0 HA ASP A 46 8.587 -0.487 2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.816 -2.766 1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.863 -1.649 0.233 1.00 0.00 H new ATOM 682 N LYS A 47 6.312 0.736 0.872 1.00 0.00 N ATOM 683 CA LYS A 47 5.956 1.905 0.079 1.00 0.00 C ATOM 684 C LYS A 47 4.469 1.911 -0.252 1.00 0.00 C ATOM 685 O LYS A 47 3.774 0.912 -0.067 1.00 0.00 O ATOM 686 CB LYS A 47 6.775 1.940 -1.212 1.00 0.00 C ATOM 687 CG LYS A 47 6.836 0.607 -1.936 1.00 0.00 C ATOM 688 CD LYS A 47 8.095 0.486 -2.777 1.00 0.00 C ATOM 689 CE LYS A 47 9.194 -0.254 -2.034 1.00 0.00 C ATOM 690 NZ LYS A 47 10.244 -0.767 -2.958 1.00 0.00 N ATOM 0 H LYS A 47 5.547 0.079 1.026 1.00 0.00 H new ATOM 0 HA LYS A 47 6.180 2.792 0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.349 2.687 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.790 2.263 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.804 -0.205 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.959 0.498 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.865 -0.039 -3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.447 1.480 -3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.649 0.413 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.760 -1.087 -1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.975 -1.265 -2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.815 -1.424 -3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.677 0.029 -3.468 1.00 0.00 H new ATOM 704 N LEU A 48 3.991 3.045 -0.750 1.00 0.00 N ATOM 705 CA LEU A 48 2.590 3.193 -1.119 1.00 0.00 C ATOM 706 C LEU A 48 2.445 3.253 -2.636 1.00 0.00 C ATOM 707 O LEU A 48 3.418 3.499 -3.349 1.00 0.00 O ATOM 708 CB LEU A 48 2.010 4.461 -0.486 1.00 0.00 C ATOM 709 CG LEU A 48 0.807 4.239 0.430 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.264 3.958 1.852 1.00 0.00 C ATOM 711 CD2 LEU A 48 -0.116 5.449 0.393 1.00 0.00 C ATOM 0 H LEU A 48 4.557 3.879 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 48 2.039 2.329 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.796 4.954 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.718 5.145 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 48 0.254 3.371 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.394 3.803 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.887 3.064 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.839 4.806 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.968 5.277 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.428 6.332 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.469 5.606 -0.626 1.00 0.00 H new ATOM 723 N GLN A 49 1.232 3.028 -3.126 1.00 0.00 N ATOM 724 CA GLN A 49 0.977 3.062 -4.561 1.00 0.00 C ATOM 725 C GLN A 49 -0.411 3.616 -4.858 1.00 0.00 C ATOM 726 O GLN A 49 -1.400 3.194 -4.260 1.00 0.00 O ATOM 727 CB GLN A 49 1.122 1.662 -5.158 1.00 0.00 C ATOM 728 CG GLN A 49 2.527 1.352 -5.649 1.00 0.00 C ATOM 729 CD GLN A 49 2.825 -0.135 -5.662 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.876 -0.778 -4.615 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.026 -0.687 -6.853 1.00 0.00 N ATOM 0 H GLN A 49 0.413 2.821 -2.554 1.00 0.00 H new ATOM 0 HA GLN A 49 1.713 3.723 -5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.838 0.925 -4.407 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.424 1.556 -5.989 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.653 1.753 -6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.251 1.858 -5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.974 -0.115 -7.696 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.232 -1.683 -6.925 1.00 0.00 H new ATOM 740 N ALA A 50 -0.475 4.564 -5.787 1.00 0.00 N ATOM 741 CA ALA A 50 -1.741 5.178 -6.166 1.00 0.00 C ATOM 742 C ALA A 50 -1.824 5.378 -7.675 1.00 0.00 C ATOM 743 O ALA A 50 -0.819 5.652 -8.330 1.00 0.00 O ATOM 744 CB ALA A 50 -1.921 6.505 -5.446 1.00 0.00 C ATOM 0 H ALA A 50 0.336 4.923 -6.291 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.545 4.505 -5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.871 6.952 -5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.915 6.338 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.106 7.177 -5.713 1.00 0.00 H new ATOM 750 N THR A 51 -3.028 5.237 -8.218 1.00 0.00 N ATOM 751 CA THR A 51 -3.247 5.402 -9.652 1.00 0.00 C ATOM 752 C THR A 51 -3.279 6.877 -10.036 1.00 0.00 C ATOM 753 O THR A 51 -4.285 7.560 -9.839 1.00 0.00 O ATOM 754 CB THR A 51 -4.556 4.727 -10.066 1.00 0.00 C ATOM 755 OG1 THR A 51 -5.513 4.807 -9.025 1.00 0.00 O ATOM 756 CG2 THR A 51 -4.389 3.266 -10.426 1.00 0.00 C ATOM 0 H THR A 51 -3.869 5.009 -7.687 1.00 0.00 H new ATOM 0 HA THR A 51 -2.417 4.930 -10.177 1.00 0.00 H new ATOM 0 HB THR A 51 -4.891 5.266 -10.952 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.508 5.710 -8.645 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.355 2.849 -10.710 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.694 3.174 -11.261 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.997 2.722 -9.567 1.00 0.00 H new ATOM 764 N PRO A 52 -2.177 7.382 -10.611 1.00 0.00 N ATOM 765 CA PRO A 52 -2.063 8.775 -11.054 1.00 0.00 C ATOM 766 C PRO A 52 -3.275 9.228 -11.856 1.00 0.00 C ATOM 767 O PRO A 52 -4.059 8.408 -12.333 1.00 0.00 O ATOM 768 CB PRO A 52 -0.810 8.765 -11.945 1.00 0.00 C ATOM 769 CG PRO A 52 -0.507 7.322 -12.157 1.00 0.00 C ATOM 770 CD PRO A 52 -0.947 6.645 -10.907 1.00 0.00 C ATOM 0 HA PRO A 52 -2.001 9.465 -10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.993 9.274 -12.891 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.023 9.278 -11.463 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.038 6.931 -13.025 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.557 7.165 -12.337 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.129 5.581 -11.056 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.210 6.733 -10.108 1.00 0.00 H new ATOM 778 N ALA A 53 -3.420 10.540 -12.007 1.00 0.00 N ATOM 779 CA ALA A 53 -4.533 11.102 -12.760 1.00 0.00 C ATOM 780 C ALA A 53 -4.517 10.631 -14.215 1.00 0.00 C ATOM 781 O ALA A 53 -5.506 10.785 -14.931 1.00 0.00 O ATOM 782 CB ALA A 53 -4.496 12.622 -12.696 1.00 0.00 C ATOM 0 H ALA A 53 -2.781 11.233 -11.618 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.459 10.749 -12.305 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.333 13.030 -13.263 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.569 12.944 -11.657 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.559 12.981 -13.122 1.00 0.00 H new ATOM 788 N SER A 54 -3.395 10.057 -14.648 1.00 0.00 N ATOM 789 CA SER A 54 -3.270 9.571 -16.018 1.00 0.00 C ATOM 790 C SER A 54 -3.802 8.147 -16.149 1.00 0.00 C ATOM 791 O SER A 54 -4.100 7.685 -17.251 1.00 0.00 O ATOM 792 CB SER A 54 -1.809 9.624 -16.468 1.00 0.00 C ATOM 793 OG SER A 54 -1.667 9.152 -17.797 1.00 0.00 O ATOM 0 H SER A 54 -2.565 9.918 -14.072 1.00 0.00 H new ATOM 0 HA SER A 54 -3.867 10.220 -16.659 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.442 10.648 -16.401 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.197 9.021 -15.797 1.00 0.00 H new ATOM 0 HG SER A 54 -0.724 9.198 -18.061 1.00 0.00 H new ATOM 799 N SER A 55 -3.921 7.455 -15.021 1.00 0.00 N ATOM 800 CA SER A 55 -4.416 6.088 -15.010 1.00 0.00 C ATOM 801 C SER A 55 -5.926 6.055 -15.223 1.00 0.00 C ATOM 802 O SER A 55 -6.667 6.812 -14.596 1.00 0.00 O ATOM 803 CB SER A 55 -4.059 5.419 -13.683 1.00 0.00 C ATOM 804 OG SER A 55 -3.089 6.168 -12.976 1.00 0.00 O ATOM 0 H SER A 55 -3.680 7.822 -14.101 1.00 0.00 H new ATOM 0 HA SER A 55 -3.944 5.543 -15.828 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.956 5.314 -13.073 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.681 4.414 -13.870 1.00 0.00 H new ATOM 0 HG SER A 55 -3.520 6.931 -12.538 1.00 0.00 H new ATOM 810 N GLU A 56 -6.377 5.173 -16.109 1.00 0.00 N ATOM 811 CA GLU A 56 -7.801 5.044 -16.398 1.00 0.00 C ATOM 812 C GLU A 56 -8.535 4.398 -15.232 1.00 0.00 C ATOM 813 O GLU A 56 -9.705 4.687 -14.980 1.00 0.00 O ATOM 814 CB GLU A 56 -8.014 4.222 -17.671 1.00 0.00 C ATOM 815 CG GLU A 56 -7.972 5.051 -18.944 1.00 0.00 C ATOM 816 CD GLU A 56 -8.255 4.228 -20.185 1.00 0.00 C ATOM 817 OE1 GLU A 56 -7.899 3.030 -20.197 1.00 0.00 O ATOM 818 OE2 GLU A 56 -8.832 4.780 -21.145 1.00 0.00 O ATOM 0 H GLU A 56 -5.779 4.538 -16.638 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.207 6.044 -16.550 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.249 3.448 -17.726 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.977 3.715 -17.609 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.702 5.857 -18.873 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.991 5.517 -19.037 1.00 0.00 H new ATOM 825 N LYS A 57 -7.836 3.523 -14.523 1.00 0.00 N ATOM 826 CA LYS A 57 -8.410 2.827 -13.377 1.00 0.00 C ATOM 827 C LYS A 57 -7.923 3.446 -12.070 1.00 0.00 C ATOM 828 O LYS A 57 -6.755 3.814 -11.944 1.00 0.00 O ATOM 829 CB LYS A 57 -8.046 1.339 -13.411 1.00 0.00 C ATOM 830 CG LYS A 57 -7.943 0.760 -14.814 1.00 0.00 C ATOM 831 CD LYS A 57 -9.196 1.040 -15.629 1.00 0.00 C ATOM 832 CE LYS A 57 -10.430 0.432 -14.981 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.628 0.540 -15.857 1.00 0.00 N ATOM 0 H LYS A 57 -6.866 3.277 -14.721 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.494 2.928 -13.432 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.094 1.196 -12.899 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.796 0.779 -12.852 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.076 1.185 -15.321 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.781 -0.316 -14.753 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.331 2.117 -15.732 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.075 0.636 -16.634 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.241 -0.617 -14.753 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.627 0.934 -14.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.447 0.114 -15.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.825 1.542 -16.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.450 0.040 -16.751 1.00 0.00 H new ATOM 847 N MET A 58 -8.824 3.557 -11.100 1.00 0.00 N ATOM 848 CA MET A 58 -8.483 4.131 -9.804 1.00 0.00 C ATOM 849 C MET A 58 -8.275 3.035 -8.764 1.00 0.00 C ATOM 850 O MET A 58 -9.234 2.422 -8.294 1.00 0.00 O ATOM 851 CB MET A 58 -9.583 5.088 -9.341 1.00 0.00 C ATOM 852 CG MET A 58 -10.026 6.070 -10.413 1.00 0.00 C ATOM 853 SD MET A 58 -10.446 7.689 -9.742 1.00 0.00 S ATOM 854 CE MET A 58 -8.933 8.098 -8.874 1.00 0.00 C ATOM 0 H MET A 58 -9.795 3.257 -11.187 1.00 0.00 H new ATOM 0 HA MET A 58 -7.551 4.686 -9.913 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.445 4.506 -9.014 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.227 5.645 -8.474 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.230 6.182 -11.149 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.890 5.663 -10.938 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.742 9.168 -8.959 1.00 0.00 H new ATOM 0 HE2 MET A 58 -9.033 7.830 -7.822 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.102 7.545 -9.312 1.00 0.00 H new ATOM 864 N MET A 59 -7.018 2.791 -8.407 1.00 0.00 N ATOM 865 CA MET A 59 -6.687 1.768 -7.421 1.00 0.00 C ATOM 866 C MET A 59 -5.356 2.073 -6.742 1.00 0.00 C ATOM 867 O MET A 59 -4.402 2.502 -7.390 1.00 0.00 O ATOM 868 CB MET A 59 -6.619 0.387 -8.081 1.00 0.00 C ATOM 869 CG MET A 59 -7.703 0.146 -9.120 1.00 0.00 C ATOM 870 SD MET A 59 -7.543 -1.460 -9.926 1.00 0.00 S ATOM 871 CE MET A 59 -5.868 -1.359 -10.551 1.00 0.00 C ATOM 0 H MET A 59 -6.212 3.288 -8.786 1.00 0.00 H new ATOM 0 HA MET A 59 -7.474 1.768 -6.667 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.644 0.269 -8.554 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.694 -0.378 -7.308 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.681 0.214 -8.643 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.661 0.933 -9.873 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.792 -1.923 -11.481 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.611 -0.316 -10.737 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.180 -1.776 -9.816 1.00 0.00 H new ATOM 881 N LEU A 60 -5.298 1.844 -5.434 1.00 0.00 N ATOM 882 CA LEU A 60 -4.079 2.089 -4.668 1.00 0.00 C ATOM 883 C LEU A 60 -3.496 0.778 -4.145 1.00 0.00 C ATOM 884 O LEU A 60 -4.233 -0.120 -3.740 1.00 0.00 O ATOM 885 CB LEU A 60 -4.365 3.036 -3.501 1.00 0.00 C ATOM 886 CG LEU A 60 -4.116 4.517 -3.790 1.00 0.00 C ATOM 887 CD1 LEU A 60 -4.860 4.950 -5.044 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.535 5.368 -2.600 1.00 0.00 C ATOM 0 H LEU A 60 -6.079 1.490 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.349 2.554 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.405 2.911 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.748 2.739 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.049 4.660 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.670 6.007 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.514 4.362 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.930 4.793 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.351 6.419 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.596 5.219 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.958 5.076 -1.723 1.00 0.00 H new ATOM 900 N ARG A 61 -2.170 0.671 -4.160 1.00 0.00 N ATOM 901 CA ARG A 61 -1.497 -0.535 -3.689 1.00 0.00 C ATOM 902 C ARG A 61 -0.642 -0.244 -2.461 1.00 0.00 C ATOM 903 O ARG A 61 -0.179 0.879 -2.262 1.00 0.00 O ATOM 904 CB ARG A 61 -0.634 -1.135 -4.800 1.00 0.00 C ATOM 905 CG ARG A 61 -1.379 -2.130 -5.673 1.00 0.00 C ATOM 906 CD ARG A 61 -0.486 -3.289 -6.086 1.00 0.00 C ATOM 907 NE ARG A 61 0.410 -2.925 -7.182 1.00 0.00 N ATOM 908 CZ ARG A 61 1.194 -3.794 -7.818 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.194 -5.075 -7.470 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.978 -3.381 -8.803 1.00 0.00 N ATOM 0 H ARG A 61 -1.542 1.403 -4.492 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.264 -1.257 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.250 -0.330 -5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.228 -1.630 -4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.245 -2.512 -5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.755 -1.625 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.103 -3.616 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.105 -4.134 -6.389 1.00 0.00 H new ATOM 0 HE ARG A 61 0.436 -1.949 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.592 -5.398 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.796 -5.737 -7.960 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.981 -2.398 -9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.578 -4.046 -9.290 1.00 0.00 H new ATOM 924 N LEU A 62 -0.445 -1.268 -1.636 1.00 0.00 N ATOM 925 CA LEU A 62 0.343 -1.134 -0.417 1.00 0.00 C ATOM 926 C LEU A 62 1.425 -2.207 -0.340 1.00 0.00 C ATOM 927 O LEU A 62 1.125 -3.399 -0.279 1.00 0.00 O ATOM 928 CB LEU A 62 -0.576 -1.230 0.806 1.00 0.00 C ATOM 929 CG LEU A 62 -0.276 -0.266 1.967 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.624 0.879 1.537 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.571 0.278 2.538 1.00 0.00 C ATOM 0 H LEU A 62 -0.822 -2.203 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 62 0.832 -0.160 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.601 -1.059 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.530 -2.250 1.188 1.00 0.00 H new ATOM 0 HG LEU A 62 0.254 -0.830 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.810 1.535 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.571 0.480 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.138 1.445 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.349 0.959 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.115 0.813 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.181 -0.547 2.906 1.00 0.00 H new ATOM 943 N ILE A 63 2.682 -1.778 -0.333 1.00 0.00 N ATOM 944 CA ILE A 63 3.803 -2.704 -0.250 1.00 0.00 C ATOM 945 C ILE A 63 4.132 -3.014 1.205 1.00 0.00 C ATOM 946 O ILE A 63 3.813 -2.233 2.096 1.00 0.00 O ATOM 947 CB ILE A 63 5.060 -2.137 -0.941 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.754 -1.795 -2.397 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.211 -3.130 -0.859 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.351 -2.994 -3.220 1.00 0.00 C ATOM 0 H ILE A 63 2.949 -0.795 -0.384 1.00 0.00 H new ATOM 0 HA ILE A 63 3.505 -3.618 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 63 5.357 -1.225 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.954 -1.056 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.633 -1.333 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.088 -2.712 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.444 -3.331 0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.926 -4.059 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.148 -2.681 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.159 -3.725 -3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.454 -3.443 -2.793 1.00 0.00 H new ATOM 962 N GLY A 64 4.770 -4.155 1.437 1.00 0.00 N ATOM 963 CA GLY A 64 5.129 -4.540 2.792 1.00 0.00 C ATOM 964 C GLY A 64 6.622 -4.753 2.952 1.00 0.00 C ATOM 965 O GLY A 64 7.339 -4.915 1.966 1.00 0.00 O ATOM 0 H GLY A 64 5.045 -4.820 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.798 -3.768 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.603 -5.456 3.059 1.00 0.00 H new ATOM 969 N LYS A 65 7.095 -4.755 4.195 1.00 0.00 N ATOM 970 CA LYS A 65 8.514 -4.954 4.461 1.00 0.00 C ATOM 971 C LYS A 65 8.973 -6.312 3.941 1.00 0.00 C ATOM 972 O LYS A 65 8.261 -7.309 4.066 1.00 0.00 O ATOM 973 CB LYS A 65 8.801 -4.839 5.959 1.00 0.00 C ATOM 974 CG LYS A 65 10.028 -4.000 6.278 1.00 0.00 C ATOM 975 CD LYS A 65 9.849 -2.558 5.836 1.00 0.00 C ATOM 976 CE LYS A 65 11.041 -1.702 6.232 1.00 0.00 C ATOM 977 NZ LYS A 65 12.250 -2.026 5.426 1.00 0.00 N ATOM 0 H LYS A 65 6.521 -4.622 5.027 1.00 0.00 H new ATOM 0 HA LYS A 65 9.070 -4.176 3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.934 -4.403 6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.936 -5.838 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.222 -4.031 7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.900 -4.427 5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.717 -2.522 4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.942 -2.150 6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.790 -0.649 6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.259 -1.851 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.036 -1.409 5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.515 -3.020 5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.045 -1.876 4.417 1.00 0.00 H new ATOM 991 N VAL A 66 10.163 -6.343 3.352 1.00 0.00 N ATOM 992 CA VAL A 66 10.719 -7.554 2.810 1.00 0.00 C ATOM 993 C VAL A 66 11.841 -8.064 3.707 1.00 0.00 C ATOM 994 O VAL A 66 11.646 -8.284 4.903 1.00 0.00 O ATOM 995 CB VAL A 66 11.188 -7.301 1.355 1.00 0.00 C ATOM 996 CG1 VAL A 66 12.303 -6.263 1.304 1.00 0.00 C ATOM 997 CG2 VAL A 66 11.599 -8.603 0.679 1.00 0.00 C ATOM 0 H VAL A 66 10.761 -5.524 3.242 1.00 0.00 H new ATOM 0 HA VAL A 66 9.959 -8.335 2.779 1.00 0.00 H new ATOM 0 HB VAL A 66 10.344 -6.894 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.609 -6.109 0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.943 -5.322 1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.155 -6.615 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.924 -8.397 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.418 -9.059 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.750 -9.286 0.658 1.00 0.00 H new ATOM 1007 N ASP A 67 12.992 -8.244 3.129 1.00 0.00 N ATOM 1008 CA ASP A 67 14.166 -8.726 3.848 1.00 0.00 C ATOM 1009 C ASP A 67 15.370 -8.824 2.917 1.00 0.00 C ATOM 1010 O ASP A 67 15.229 -9.141 1.736 1.00 0.00 O ATOM 1011 CB ASP A 67 13.881 -10.092 4.476 1.00 0.00 C ATOM 1012 CG ASP A 67 14.588 -10.275 5.805 1.00 0.00 C ATOM 1013 OD1 ASP A 67 14.898 -9.257 6.458 1.00 0.00 O ATOM 1014 OD2 ASP A 67 14.834 -11.437 6.191 1.00 0.00 O ATOM 0 H ASP A 67 13.158 -8.063 2.139 1.00 0.00 H new ATOM 0 HA ASP A 67 14.396 -8.011 4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.807 -10.206 4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.195 -10.878 3.789 1.00 0.00 H new ATOM 1019 N GLU A 68 16.553 -8.551 3.457 1.00 0.00 N ATOM 1020 CA GLU A 68 17.783 -8.609 2.672 1.00 0.00 C ATOM 1021 C GLU A 68 18.646 -9.797 3.087 1.00 0.00 C ATOM 1022 O GLU A 68 19.508 -10.244 2.330 1.00 0.00 O ATOM 1023 CB GLU A 68 18.574 -7.309 2.829 1.00 0.00 C ATOM 1024 CG GLU A 68 17.933 -6.119 2.134 1.00 0.00 C ATOM 1025 CD GLU A 68 18.586 -4.804 2.512 1.00 0.00 C ATOM 1026 OE1 GLU A 68 19.089 -4.695 3.648 1.00 0.00 O ATOM 1027 OE2 GLU A 68 18.592 -3.882 1.668 1.00 0.00 O ATOM 0 H GLU A 68 16.687 -8.288 4.433 1.00 0.00 H new ATOM 0 HA GLU A 68 17.507 -8.736 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.681 -7.085 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.578 -7.454 2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.997 -6.255 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.874 -6.081 2.388 1.00 0.00 H new ATOM 1034 N SER A 69 18.410 -10.305 4.292 1.00 0.00 N ATOM 1035 CA SER A 69 19.168 -11.440 4.804 1.00 0.00 C ATOM 1036 C SER A 69 18.984 -12.671 3.920 1.00 0.00 C ATOM 1037 O SER A 69 19.796 -13.595 3.952 1.00 0.00 O ATOM 1038 CB SER A 69 18.739 -11.760 6.238 1.00 0.00 C ATOM 1039 OG SER A 69 17.331 -11.896 6.331 1.00 0.00 O ATOM 0 H SER A 69 17.700 -9.949 4.932 1.00 0.00 H new ATOM 0 HA SER A 69 20.224 -11.169 4.796 1.00 0.00 H new ATOM 0 HB2 SER A 69 19.219 -12.681 6.567 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.076 -10.968 6.907 1.00 0.00 H new ATOM 0 HG SER A 69 17.083 -12.101 7.256 1.00 0.00 H new ATOM 1045 N LYS A 70 17.914 -12.676 3.131 1.00 0.00 N ATOM 1046 CA LYS A 70 17.628 -13.794 2.240 1.00 0.00 C ATOM 1047 C LYS A 70 17.128 -13.298 0.887 1.00 0.00 C ATOM 1048 O LYS A 70 15.929 -13.102 0.690 1.00 0.00 O ATOM 1049 CB LYS A 70 16.590 -14.723 2.871 1.00 0.00 C ATOM 1050 CG LYS A 70 17.152 -15.600 3.978 1.00 0.00 C ATOM 1051 CD LYS A 70 17.522 -16.981 3.462 1.00 0.00 C ATOM 1052 CE LYS A 70 16.293 -17.860 3.297 1.00 0.00 C ATOM 1053 NZ LYS A 70 15.814 -17.884 1.887 1.00 0.00 N ATOM 0 H LYS A 70 17.232 -11.919 3.091 1.00 0.00 H new ATOM 0 HA LYS A 70 18.554 -14.348 2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.774 -14.123 3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.165 -15.360 2.095 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.033 -15.124 4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.417 -15.694 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.035 -16.888 2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.219 -17.454 4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.526 -18.875 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.496 -17.496 3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.912 -17.371 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.519 -17.428 1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.676 -18.869 1.584 1.00 0.00 H new ATOM 1067 N LYS A 71 18.056 -13.098 -0.044 1.00 0.00 N ATOM 1068 CA LYS A 71 17.709 -12.627 -1.380 1.00 0.00 C ATOM 1069 C LYS A 71 17.264 -13.785 -2.268 1.00 0.00 C ATOM 1070 O LYS A 71 17.139 -14.919 -1.807 1.00 0.00 O ATOM 1071 CB LYS A 71 18.903 -11.910 -2.016 1.00 0.00 C ATOM 1072 CG LYS A 71 19.441 -10.763 -1.176 1.00 0.00 C ATOM 1073 CD LYS A 71 19.716 -9.530 -2.023 1.00 0.00 C ATOM 1074 CE LYS A 71 21.053 -9.632 -2.738 1.00 0.00 C ATOM 1075 NZ LYS A 71 21.588 -8.293 -3.108 1.00 0.00 N ATOM 0 H LYS A 71 19.053 -13.255 0.102 1.00 0.00 H new ATOM 0 HA LYS A 71 16.880 -11.926 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 71 19.702 -12.632 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 71 18.608 -11.527 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.723 -10.515 -0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 71 20.359 -11.075 -0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.919 -9.406 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.708 -8.643 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 71 21.770 -10.145 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.939 -10.238 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.501 -8.406 -3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.916 -7.814 -3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.721 -7.723 -2.249 1.00 0.00 H new ATOM 1089 N ARG A 72 17.027 -13.489 -3.542 1.00 0.00 N ATOM 1090 CA ARG A 72 16.596 -14.507 -4.494 1.00 0.00 C ATOM 1091 C ARG A 72 16.519 -13.935 -5.906 1.00 0.00 C ATOM 1092 O ARG A 72 16.618 -12.723 -6.101 1.00 0.00 O ATOM 1093 CB ARG A 72 15.236 -15.075 -4.086 1.00 0.00 C ATOM 1094 CG ARG A 72 14.152 -14.018 -3.948 1.00 0.00 C ATOM 1095 CD ARG A 72 13.295 -13.932 -5.200 1.00 0.00 C ATOM 1096 NE ARG A 72 11.884 -13.722 -4.885 1.00 0.00 N ATOM 1097 CZ ARG A 72 11.095 -14.657 -4.360 1.00 0.00 C ATOM 1098 NH1 ARG A 72 11.574 -15.865 -4.091 1.00 0.00 N ATOM 1099 NH2 ARG A 72 9.823 -14.384 -4.104 1.00 0.00 N ATOM 0 H ARG A 72 17.126 -12.554 -3.939 1.00 0.00 H new ATOM 0 HA ARG A 72 17.333 -15.310 -4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.922 -15.811 -4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.341 -15.602 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.522 -14.252 -3.090 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.610 -13.049 -3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.652 -13.115 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.405 -14.850 -5.778 1.00 0.00 H new ATOM 0 HE ARG A 72 11.480 -12.806 -5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.551 -16.081 -4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.965 -16.577 -3.689 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.449 -13.458 -4.309 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.219 -15.100 -3.702 1.00 0.00 H new ATOM 1113 N LYS A 73 16.341 -14.815 -6.886 1.00 0.00 N ATOM 1114 CA LYS A 73 16.250 -14.397 -8.281 1.00 0.00 C ATOM 1115 C LYS A 73 14.796 -14.190 -8.693 1.00 0.00 C ATOM 1116 O LYS A 73 13.891 -14.239 -7.859 1.00 0.00 O ATOM 1117 CB LYS A 73 16.906 -15.438 -9.191 1.00 0.00 C ATOM 1118 CG LYS A 73 18.282 -15.879 -8.719 1.00 0.00 C ATOM 1119 CD LYS A 73 19.388 -15.156 -9.471 1.00 0.00 C ATOM 1120 CE LYS A 73 20.552 -16.085 -9.779 1.00 0.00 C ATOM 1121 NZ LYS A 73 20.991 -16.843 -8.575 1.00 0.00 N ATOM 0 H LYS A 73 16.257 -15.821 -6.741 1.00 0.00 H new ATOM 0 HA LYS A 73 16.777 -13.449 -8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.257 -16.311 -9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.991 -15.027 -10.197 1.00 0.00 H new ATOM 0 HG2 LYS A 73 18.380 -15.686 -7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.388 -16.955 -8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.991 -14.748 -10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.741 -14.312 -8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.261 -16.785 -10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 73 21.388 -15.503 -10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 21.983 -17.134 -8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 20.904 -16.238 -7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.394 -17.686 -8.459 1.00 0.00 H new ATOM 1135 N ASP A 74 14.578 -13.962 -9.984 1.00 0.00 N ATOM 1136 CA ASP A 74 13.232 -13.749 -10.505 1.00 0.00 C ATOM 1137 C ASP A 74 12.778 -14.938 -11.347 1.00 0.00 C ATOM 1138 O ASP A 74 11.958 -14.791 -12.253 1.00 0.00 O ATOM 1139 CB ASP A 74 13.184 -12.469 -11.342 1.00 0.00 C ATOM 1140 CG ASP A 74 12.730 -11.267 -10.536 1.00 0.00 C ATOM 1141 OD1 ASP A 74 11.729 -11.391 -9.799 1.00 0.00 O ATOM 1142 OD2 ASP A 74 13.374 -10.204 -10.642 1.00 0.00 O ATOM 0 H ASP A 74 15.315 -13.920 -10.688 1.00 0.00 H new ATOM 0 HA ASP A 74 12.554 -13.648 -9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.173 -12.272 -11.757 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.508 -12.614 -12.185 1.00 0.00 H new ATOM 1147 N ASN A 75 13.316 -16.118 -11.040 1.00 0.00 N ATOM 1148 CA ASN A 75 12.972 -17.342 -11.760 1.00 0.00 C ATOM 1149 C ASN A 75 13.573 -17.364 -13.168 1.00 0.00 C ATOM 1150 O ASN A 75 13.382 -18.325 -13.913 1.00 0.00 O ATOM 1151 CB ASN A 75 11.455 -17.497 -11.847 1.00 0.00 C ATOM 1152 CG ASN A 75 10.778 -17.335 -10.501 1.00 0.00 C ATOM 1153 OD1 ASN A 75 11.311 -17.747 -9.470 1.00 0.00 O ATOM 1154 ND2 ASN A 75 9.595 -16.732 -10.501 1.00 0.00 N ATOM 0 H ASN A 75 13.996 -16.251 -10.292 1.00 0.00 H new ATOM 0 HA ASN A 75 13.394 -18.177 -11.201 1.00 0.00 H new ATOM 0 HB2 ASN A 75 11.057 -16.758 -12.542 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.216 -18.479 -12.255 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.092 -16.595 -9.624 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.189 -16.406 -11.378 1.00 0.00 H new ATOM 1161 N GLU A 76 14.297 -16.309 -13.529 1.00 0.00 N ATOM 1162 CA GLU A 76 14.917 -16.221 -14.846 1.00 0.00 C ATOM 1163 C GLU A 76 16.421 -16.422 -14.745 1.00 0.00 C ATOM 1164 O GLU A 76 17.060 -16.927 -15.668 1.00 0.00 O ATOM 1165 CB GLU A 76 14.618 -14.864 -15.487 1.00 0.00 C ATOM 1166 CG GLU A 76 13.334 -14.219 -14.991 1.00 0.00 C ATOM 1167 CD GLU A 76 13.056 -12.886 -15.656 1.00 0.00 C ATOM 1168 OE1 GLU A 76 12.411 -12.879 -16.727 1.00 0.00 O ATOM 1169 OE2 GLU A 76 13.482 -11.848 -15.109 1.00 0.00 O ATOM 0 H GLU A 76 14.469 -15.503 -12.928 1.00 0.00 H new ATOM 0 HA GLU A 76 14.499 -17.010 -15.471 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.451 -14.189 -15.291 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.556 -14.989 -16.568 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.498 -14.894 -15.175 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.397 -14.076 -13.912 1.00 0.00 H new ATOM 1176 N GLY A 77 16.977 -16.022 -13.611 1.00 0.00 N ATOM 1177 CA GLY A 77 18.406 -16.157 -13.391 1.00 0.00 C ATOM 1178 C GLY A 77 19.080 -14.826 -13.120 1.00 0.00 C ATOM 1179 O GLY A 77 20.241 -14.629 -13.477 1.00 0.00 O ATOM 0 H GLY A 77 16.463 -15.604 -12.835 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.579 -16.826 -12.548 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.863 -16.621 -14.265 1.00 0.00 H new ATOM 1183 N ASN A 78 18.351 -13.912 -12.488 1.00 0.00 N ATOM 1184 CA ASN A 78 18.885 -12.593 -12.170 1.00 0.00 C ATOM 1185 C ASN A 78 18.726 -12.286 -10.685 1.00 0.00 C ATOM 1186 O ASN A 78 17.617 -12.309 -10.152 1.00 0.00 O ATOM 1187 CB ASN A 78 18.182 -11.521 -13.003 1.00 0.00 C ATOM 1188 CG ASN A 78 19.123 -10.411 -13.431 1.00 0.00 C ATOM 1189 OD1 ASN A 78 19.490 -9.550 -12.631 1.00 0.00 O ATOM 1190 ND2 ASN A 78 19.518 -10.426 -14.699 1.00 0.00 N ATOM 0 H ASN A 78 17.388 -14.061 -12.186 1.00 0.00 H new ATOM 0 HA ASN A 78 19.948 -12.591 -12.411 1.00 0.00 H new ATOM 0 HB2 ASN A 78 17.743 -11.982 -13.888 1.00 0.00 H new ATOM 0 HB3 ASN A 78 17.362 -11.095 -12.425 1.00 0.00 H new ATOM 0 HD21 ASN A 78 20.151 -9.705 -15.045 1.00 0.00 H new ATOM 0 HD22 ASN A 78 19.189 -11.159 -15.327 1.00 0.00 H new ATOM 1197 N GLU A 79 19.842 -12.000 -10.022 1.00 0.00 N ATOM 1198 CA GLU A 79 19.827 -11.689 -8.597 1.00 0.00 C ATOM 1199 C GLU A 79 18.962 -10.464 -8.317 1.00 0.00 C ATOM 1200 O GLU A 79 19.165 -9.401 -8.903 1.00 0.00 O ATOM 1201 CB GLU A 79 21.250 -11.451 -8.090 1.00 0.00 C ATOM 1202 CG GLU A 79 22.020 -10.420 -8.900 1.00 0.00 C ATOM 1203 CD GLU A 79 23.461 -10.825 -9.140 1.00 0.00 C ATOM 1204 OE1 GLU A 79 24.275 -10.708 -8.199 1.00 0.00 O ATOM 1205 OE2 GLU A 79 23.775 -11.259 -10.268 1.00 0.00 O ATOM 0 H GLU A 79 20.768 -11.977 -10.449 1.00 0.00 H new ATOM 0 HA GLU A 79 19.400 -12.541 -8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.207 -11.126 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 79 21.795 -12.395 -8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 79 21.523 -10.272 -9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.997 -9.463 -8.379 1.00 0.00 H new ATOM 1212 N VAL A 80 17.998 -10.621 -7.416 1.00 0.00 N ATOM 1213 CA VAL A 80 17.103 -9.528 -7.057 1.00 0.00 C ATOM 1214 C VAL A 80 16.617 -9.668 -5.617 1.00 0.00 C ATOM 1215 O VAL A 80 17.063 -10.551 -4.885 1.00 0.00 O ATOM 1216 CB VAL A 80 15.886 -9.466 -8.001 1.00 0.00 C ATOM 1217 CG1 VAL A 80 16.337 -9.282 -9.442 1.00 0.00 C ATOM 1218 CG2 VAL A 80 15.029 -10.716 -7.860 1.00 0.00 C ATOM 0 H VAL A 80 17.817 -11.494 -6.921 1.00 0.00 H new ATOM 0 HA VAL A 80 17.673 -8.604 -7.155 1.00 0.00 H new ATOM 0 HB VAL A 80 15.279 -8.606 -7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.464 -9.240 -10.094 1.00 0.00 H new ATOM 0 HG12 VAL A 80 16.901 -8.353 -9.531 1.00 0.00 H new ATOM 0 HG13 VAL A 80 16.969 -10.120 -9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.176 -10.650 -8.535 1.00 0.00 H new ATOM 0 HG22 VAL A 80 15.623 -11.595 -8.110 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.673 -10.799 -6.833 1.00 0.00 H new ATOM 1228 N VAL A 81 15.700 -8.793 -5.218 1.00 0.00 N ATOM 1229 CA VAL A 81 15.155 -8.822 -3.866 1.00 0.00 C ATOM 1230 C VAL A 81 13.782 -9.492 -3.843 1.00 0.00 C ATOM 1231 O VAL A 81 12.945 -9.235 -4.709 1.00 0.00 O ATOM 1232 CB VAL A 81 15.029 -7.402 -3.282 1.00 0.00 C ATOM 1233 CG1 VAL A 81 14.634 -7.459 -1.814 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.330 -6.634 -3.462 1.00 0.00 C ATOM 0 H VAL A 81 15.319 -8.056 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 81 15.850 -9.398 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 81 14.244 -6.875 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.550 -6.446 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.675 -7.967 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.393 -8.004 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.223 -5.633 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.136 -7.158 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.565 -6.560 -4.524 1.00 0.00 H new ATOM 1244 N PRO A 82 13.529 -10.364 -2.850 1.00 0.00 N ATOM 1245 CA PRO A 82 12.252 -11.069 -2.722 1.00 0.00 C ATOM 1246 C PRO A 82 11.058 -10.121 -2.783 1.00 0.00 C ATOM 1247 O PRO A 82 11.086 -9.034 -2.205 1.00 0.00 O ATOM 1248 CB PRO A 82 12.332 -11.747 -1.347 1.00 0.00 C ATOM 1249 CG PRO A 82 13.532 -11.165 -0.679 1.00 0.00 C ATOM 1250 CD PRO A 82 14.458 -10.734 -1.777 1.00 0.00 C ATOM 0 HA PRO A 82 12.101 -11.773 -3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.430 -11.559 -0.765 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.426 -12.828 -1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.255 -10.319 -0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 82 14.011 -11.900 -0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.083 -9.894 -1.474 1.00 0.00 H new ATOM 0 HD3 PRO A 82 15.129 -11.538 -2.081 1.00 0.00 H new ATOM 1258 N LYS A 83 10.012 -10.541 -3.486 1.00 0.00 N ATOM 1259 CA LYS A 83 8.808 -9.728 -3.625 1.00 0.00 C ATOM 1260 C LYS A 83 8.072 -9.611 -2.290 1.00 0.00 C ATOM 1261 O LYS A 83 7.613 -10.612 -1.738 1.00 0.00 O ATOM 1262 CB LYS A 83 7.880 -10.335 -4.678 1.00 0.00 C ATOM 1263 CG LYS A 83 7.442 -11.757 -4.359 1.00 0.00 C ATOM 1264 CD LYS A 83 7.482 -12.644 -5.592 1.00 0.00 C ATOM 1265 CE LYS A 83 6.552 -12.129 -6.679 1.00 0.00 C ATOM 1266 NZ LYS A 83 5.125 -12.165 -6.253 1.00 0.00 N ATOM 0 H LYS A 83 9.973 -11.439 -3.968 1.00 0.00 H new ATOM 0 HA LYS A 83 9.108 -8.730 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.996 -9.705 -4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.386 -10.328 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.091 -12.174 -3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.431 -11.744 -3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.501 -12.690 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.198 -13.660 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.828 -11.107 -6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.677 -12.731 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.513 -11.969 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.901 -13.106 -5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.963 -11.445 -5.520 1.00 0.00 H new ATOM 1280 N PRO A 84 7.944 -8.384 -1.751 1.00 0.00 N ATOM 1281 CA PRO A 84 7.256 -8.149 -0.477 1.00 0.00 C ATOM 1282 C PRO A 84 5.751 -8.364 -0.580 1.00 0.00 C ATOM 1283 O PRO A 84 5.237 -8.719 -1.640 1.00 0.00 O ATOM 1284 CB PRO A 84 7.558 -6.684 -0.173 1.00 0.00 C ATOM 1285 CG PRO A 84 7.792 -6.071 -1.504 1.00 0.00 C ATOM 1286 CD PRO A 84 8.455 -7.131 -2.336 1.00 0.00 C ATOM 0 HA PRO A 84 7.593 -8.840 0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.726 -6.206 0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.433 -6.584 0.470 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.854 -5.750 -1.956 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.425 -5.187 -1.421 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.190 -7.041 -3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.542 -7.071 -2.274 1.00 0.00 H new ATOM 1294 N GLN A 85 5.048 -8.137 0.525 1.00 0.00 N ATOM 1295 CA GLN A 85 3.599 -8.296 0.553 1.00 0.00 C ATOM 1296 C GLN A 85 2.918 -7.061 -0.026 1.00 0.00 C ATOM 1297 O GLN A 85 3.020 -5.967 0.529 1.00 0.00 O ATOM 1298 CB GLN A 85 3.116 -8.537 1.984 1.00 0.00 C ATOM 1299 CG GLN A 85 3.885 -9.628 2.711 1.00 0.00 C ATOM 1300 CD GLN A 85 3.519 -9.719 4.179 1.00 0.00 C ATOM 1301 OE1 GLN A 85 2.440 -10.192 4.535 1.00 0.00 O ATOM 1302 NE2 GLN A 85 4.420 -9.264 5.043 1.00 0.00 N ATOM 0 H GLN A 85 5.458 -7.843 1.411 1.00 0.00 H new ATOM 0 HA GLN A 85 3.336 -9.161 -0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.200 -7.608 2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.059 -8.802 1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.689 -10.587 2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.954 -9.438 2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.302 -8.880 4.705 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.229 -9.299 6.044 1.00 0.00 H new ATOM 1311 N ARG A 86 2.234 -7.240 -1.150 1.00 0.00 N ATOM 1312 CA ARG A 86 1.549 -6.134 -1.807 1.00 0.00 C ATOM 1313 C ARG A 86 0.036 -6.239 -1.643 1.00 0.00 C ATOM 1314 O ARG A 86 -0.589 -7.180 -2.131 1.00 0.00 O ATOM 1315 CB ARG A 86 1.907 -6.097 -3.294 1.00 0.00 C ATOM 1316 CG ARG A 86 3.390 -6.290 -3.568 1.00 0.00 C ATOM 1317 CD ARG A 86 3.761 -5.831 -4.968 1.00 0.00 C ATOM 1318 NE ARG A 86 4.794 -6.676 -5.565 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.556 -7.870 -6.102 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.325 -8.365 -6.118 1.00 0.00 N ATOM 1321 NH2 ARG A 86 5.553 -8.572 -6.623 1.00 0.00 N ATOM 0 H ARG A 86 2.139 -8.138 -1.624 1.00 0.00 H new ATOM 0 HA ARG A 86 1.880 -5.211 -1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.346 -6.874 -3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.590 -5.141 -3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.972 -5.732 -2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.650 -7.342 -3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.873 -5.842 -5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.113 -4.800 -4.930 1.00 0.00 H new ATOM 0 HE ARG A 86 5.753 -6.330 -5.570 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.555 -7.830 -5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.149 -9.281 -6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.501 -8.197 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.372 -9.487 -7.035 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.547 -5.257 -0.963 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.987 -5.227 -0.743 1.00 0.00 C ATOM 1337 C HIS A 87 -2.669 -4.409 -1.834 1.00 0.00 C ATOM 1338 O HIS A 87 -2.421 -3.211 -1.970 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.306 -4.636 0.632 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.490 -5.226 1.740 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.512 -6.567 2.060 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.623 -4.650 2.605 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.695 -6.790 3.075 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.144 -5.643 3.423 1.00 0.00 N ATOM 0 H HIS A 87 -0.042 -4.470 -0.554 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.364 -6.249 -0.779 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.140 -3.559 0.603 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.363 -4.790 0.848 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.357 -3.604 2.644 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.510 -7.747 3.540 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.529 -5.515 4.178 1.00 0.00 H new ATOM 1353 N MET A 88 -3.520 -5.063 -2.616 1.00 0.00 N ATOM 1354 CA MET A 88 -4.223 -4.393 -3.703 1.00 0.00 C ATOM 1355 C MET A 88 -5.521 -3.757 -3.219 1.00 0.00 C ATOM 1356 O MET A 88 -6.485 -4.453 -2.898 1.00 0.00 O ATOM 1357 CB MET A 88 -4.519 -5.384 -4.831 1.00 0.00 C ATOM 1358 CG MET A 88 -4.472 -4.761 -6.216 1.00 0.00 C ATOM 1359 SD MET A 88 -3.807 -5.884 -7.461 1.00 0.00 S ATOM 1360 CE MET A 88 -2.668 -4.801 -8.319 1.00 0.00 C ATOM 0 H MET A 88 -3.739 -6.054 -2.518 1.00 0.00 H new ATOM 0 HA MET A 88 -3.576 -3.600 -4.078 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.798 -6.200 -4.784 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.505 -5.820 -4.671 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.477 -4.456 -6.507 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.862 -3.858 -6.184 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.976 -4.700 -9.360 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.670 -3.820 -7.843 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.664 -5.222 -8.277 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.544 -2.428 -3.185 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.726 -1.691 -2.760 1.00 0.00 C ATOM 1372 C PHE A 89 -7.330 -0.942 -3.941 1.00 0.00 C ATOM 1373 O PHE A 89 -6.623 -0.249 -4.674 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.373 -0.711 -1.638 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.933 -1.384 -0.370 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.841 -2.076 0.414 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.610 -1.323 0.039 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.438 -2.695 1.582 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.202 -1.940 1.206 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.116 -2.627 1.979 1.00 0.00 C ATOM 0 H PHE A 89 -4.754 -1.839 -3.448 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.460 -2.402 -2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.579 -0.048 -1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.241 -0.086 -1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.876 -2.133 0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.890 -0.787 -0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.156 -3.232 2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.168 -1.885 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.799 -3.110 2.891 1.00 0.00 H new ATOM 1390 N SER A 90 -8.636 -1.090 -4.131 1.00 0.00 N ATOM 1391 CA SER A 90 -9.321 -0.432 -5.237 1.00 0.00 C ATOM 1392 C SER A 90 -10.143 0.756 -4.751 1.00 0.00 C ATOM 1393 O SER A 90 -10.938 0.636 -3.820 1.00 0.00 O ATOM 1394 CB SER A 90 -10.227 -1.427 -5.965 1.00 0.00 C ATOM 1395 OG SER A 90 -9.788 -2.759 -5.761 1.00 0.00 O ATOM 0 H SER A 90 -9.240 -1.657 -3.536 1.00 0.00 H new ATOM 0 HA SER A 90 -8.562 -0.062 -5.927 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.251 -1.320 -5.608 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.236 -1.203 -7.032 1.00 0.00 H new ATOM 0 HG SER A 90 -10.384 -3.376 -6.235 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.948 1.901 -5.395 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.675 3.113 -5.038 1.00 0.00 C ATOM 1403 C PHE A 91 -11.732 3.435 -6.090 1.00 0.00 C ATOM 1404 O PHE A 91 -11.466 3.374 -7.290 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.708 4.288 -4.887 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.944 4.265 -3.596 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.231 3.139 -3.218 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.940 5.368 -2.758 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.529 3.113 -2.028 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.241 5.349 -1.567 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.534 4.220 -1.200 1.00 0.00 C ATOM 0 H PHE A 91 -9.292 2.015 -6.168 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.175 2.944 -4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.003 4.279 -5.719 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.268 5.221 -4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.224 2.271 -3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.490 6.254 -3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.977 2.229 -1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.247 6.216 -0.923 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.987 4.202 -0.269 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.936 3.769 -5.634 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.034 4.090 -6.540 1.00 0.00 C ATOM 1423 C ASN A 92 -14.172 5.597 -6.740 1.00 0.00 C ATOM 1424 O ASN A 92 -14.765 6.048 -7.719 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.346 3.514 -6.004 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.240 2.989 -7.111 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.819 3.760 -7.876 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.358 1.669 -7.200 1.00 0.00 N ATOM 0 H ASN A 92 -13.176 3.824 -4.644 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.809 3.640 -7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.127 2.708 -5.304 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.877 4.285 -5.446 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.947 1.257 -7.924 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.860 1.067 -6.544 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.625 6.370 -5.810 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.694 7.826 -5.892 1.00 0.00 C ATOM 1437 C ASN A 93 -12.299 8.438 -5.948 1.00 0.00 C ATOM 1438 O ASN A 93 -11.339 7.872 -5.426 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.462 8.391 -4.696 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.755 7.643 -4.432 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.645 6.459 -3.841 1.00 0.00 O flip ATOM 1442 ND2 ASN A 93 -16.841 8.126 -4.755 1.00 0.00 N flip ATOM 0 H ASN A 93 -13.130 6.016 -4.992 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.221 8.085 -6.810 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.831 8.345 -3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.684 9.443 -4.875 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.879 9.039 -5.207 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.703 7.613 -4.570 1.00 0.00 H new ATOM 1449 N ARG A 94 -12.195 9.600 -6.586 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.919 10.293 -6.712 1.00 0.00 C ATOM 1451 C ARG A 94 -10.589 11.058 -5.435 1.00 0.00 C ATOM 1452 O ARG A 94 -9.429 11.149 -5.034 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.952 11.256 -7.900 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.181 12.150 -7.927 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.017 13.293 -8.914 1.00 0.00 C ATOM 1456 NE ARG A 94 -11.208 14.379 -8.366 1.00 0.00 N ATOM 1457 CZ ARG A 94 -11.666 15.280 -7.500 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.925 15.228 -7.081 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -10.863 16.234 -7.050 1.00 0.00 N ATOM 0 H ARG A 94 -12.981 10.081 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.143 9.546 -6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.059 11.881 -7.875 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.912 10.680 -8.825 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.056 11.559 -8.196 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.362 12.552 -6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.552 12.920 -9.827 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.999 13.677 -9.190 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.235 14.451 -8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.546 14.495 -7.423 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.271 15.921 -6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.895 16.277 -7.367 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.214 16.925 -6.386 1.00 0.00 H new ATOM 1473 N THR A 95 -11.620 11.605 -4.800 1.00 0.00 N ATOM 1474 CA THR A 95 -11.446 12.361 -3.569 1.00 0.00 C ATOM 1475 C THR A 95 -10.883 11.471 -2.463 1.00 0.00 C ATOM 1476 O THR A 95 -9.877 11.804 -1.838 1.00 0.00 O ATOM 1477 CB THR A 95 -12.779 12.986 -3.154 1.00 0.00 C ATOM 1478 OG1 THR A 95 -12.790 14.373 -3.438 1.00 0.00 O ATOM 1479 CG2 THR A 95 -13.105 12.820 -1.689 1.00 0.00 C ATOM 0 H THR A 95 -12.586 11.538 -5.120 1.00 0.00 H new ATOM 0 HA THR A 95 -10.727 13.162 -3.742 1.00 0.00 H new ATOM 0 HB THR A 95 -13.531 12.450 -3.733 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.651 14.755 -3.168 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.065 13.290 -1.474 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.158 11.759 -1.446 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.328 13.292 -1.088 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.538 10.337 -2.228 1.00 0.00 N ATOM 1488 CA VAL A 96 -11.097 9.403 -1.200 1.00 0.00 C ATOM 1489 C VAL A 96 -9.672 8.928 -1.469 1.00 0.00 C ATOM 1490 O VAL A 96 -8.925 8.615 -0.542 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.033 8.181 -1.108 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.017 7.390 -2.408 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.646 7.296 0.068 1.00 0.00 C ATOM 0 H VAL A 96 -12.374 10.045 -2.735 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.125 9.938 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.049 8.541 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.684 6.533 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.351 8.028 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.004 7.042 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.318 6.439 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.622 6.946 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.720 7.867 0.993 1.00 0.00 H new ATOM 1503 N MET A 97 -9.301 8.883 -2.746 1.00 0.00 N ATOM 1504 CA MET A 97 -7.965 8.454 -3.138 1.00 0.00 C ATOM 1505 C MET A 97 -6.933 9.506 -2.757 1.00 0.00 C ATOM 1506 O MET A 97 -5.830 9.186 -2.315 1.00 0.00 O ATOM 1507 CB MET A 97 -7.915 8.181 -4.645 1.00 0.00 C ATOM 1508 CG MET A 97 -6.509 7.975 -5.186 1.00 0.00 C ATOM 1509 SD MET A 97 -6.497 7.491 -6.923 1.00 0.00 S ATOM 1510 CE MET A 97 -5.984 9.022 -7.697 1.00 0.00 C ATOM 0 H MET A 97 -9.908 9.139 -3.525 1.00 0.00 H new ATOM 0 HA MET A 97 -7.729 7.531 -2.608 1.00 0.00 H new ATOM 0 HB2 MET A 97 -8.512 7.296 -4.864 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.378 9.016 -5.171 1.00 0.00 H new ATOM 0 HG2 MET A 97 -5.939 8.896 -5.066 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.005 7.209 -4.596 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.166 8.966 -8.770 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.552 9.851 -7.275 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.921 9.182 -7.517 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.308 10.762 -2.932 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.431 11.879 -2.609 1.00 0.00 C ATOM 1522 C ASP A 98 -6.186 11.955 -1.106 1.00 0.00 C ATOM 1523 O ASP A 98 -5.132 12.411 -0.660 1.00 0.00 O ATOM 1524 CB ASP A 98 -7.037 13.192 -3.106 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.588 13.539 -4.513 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -6.887 12.758 -5.441 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.938 14.591 -4.686 1.00 0.00 O ATOM 0 H ASP A 98 -8.220 11.037 -3.298 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.476 11.718 -3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.124 13.120 -3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.756 13.998 -2.428 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.166 11.505 -0.327 1.00 0.00 N ATOM 1533 CA ASN A 99 -7.055 11.521 1.126 1.00 0.00 C ATOM 1534 C ASN A 99 -6.189 10.365 1.619 1.00 0.00 C ATOM 1535 O ASN A 99 -5.222 10.570 2.350 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.443 11.442 1.766 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.345 12.580 1.329 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -8.880 13.591 0.803 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.645 12.421 1.547 1.00 0.00 N ATOM 0 H ASN A 99 -8.045 11.125 -0.679 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.580 12.458 1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.908 10.492 1.503 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.342 11.458 2.851 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.301 13.153 1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.988 11.566 1.986 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.544 9.151 1.211 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.800 7.962 1.611 1.00 0.00 C ATOM 1548 C ILE A 100 -4.340 8.053 1.173 1.00 0.00 C ATOM 1549 O ILE A 100 -3.429 7.829 1.968 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.428 6.684 1.016 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.867 6.518 1.512 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.595 5.458 1.370 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.966 6.173 2.982 1.00 0.00 C ATOM 0 H ILE A 100 -7.342 8.965 0.604 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.845 7.908 2.699 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.444 6.782 -0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.415 7.442 1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.355 5.736 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.056 4.569 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.588 5.574 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.544 5.353 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.014 6.071 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.447 5.233 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.508 6.966 3.573 1.00 0.00 H new ATOM 1565 N LYS A 101 -4.128 8.373 -0.098 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.781 8.484 -0.646 1.00 0.00 C ATOM 1567 C LYS A 101 -1.965 9.541 0.093 1.00 0.00 C ATOM 1568 O LYS A 101 -0.789 9.332 0.390 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.842 8.823 -2.136 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.512 8.663 -2.852 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.532 9.325 -4.220 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.649 10.836 -4.106 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.627 11.404 -3.186 1.00 0.00 N ATOM 0 H LYS A 101 -4.873 8.560 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.288 7.521 -0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.582 8.183 -2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.186 9.851 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.717 9.100 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.283 7.603 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.622 9.069 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.369 8.937 -4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.538 11.284 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.645 11.097 -3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.580 12.435 -3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.887 11.188 -2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.302 10.987 -3.399 1.00 0.00 H new ATOM 1587 N MET A 102 -2.590 10.679 0.377 1.00 0.00 N ATOM 1588 CA MET A 102 -1.910 11.770 1.071 1.00 0.00 C ATOM 1589 C MET A 102 -1.844 11.523 2.575 1.00 0.00 C ATOM 1590 O MET A 102 -0.971 12.055 3.261 1.00 0.00 O ATOM 1591 CB MET A 102 -2.616 13.097 0.791 1.00 0.00 C ATOM 1592 CG MET A 102 -2.395 13.619 -0.618 1.00 0.00 C ATOM 1593 SD MET A 102 -2.594 15.407 -0.737 1.00 0.00 S ATOM 1594 CE MET A 102 -4.278 15.521 -1.334 1.00 0.00 C ATOM 0 H MET A 102 -3.563 10.871 0.139 1.00 0.00 H new ATOM 0 HA MET A 102 -0.889 11.817 0.692 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.686 12.972 0.959 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.266 13.843 1.505 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.393 13.346 -0.949 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.098 13.133 -1.295 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.550 16.569 -1.458 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.360 15.009 -2.293 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.951 15.055 -0.615 1.00 0.00 H new ATOM 1604 N THR A 103 -2.771 10.723 3.083 1.00 0.00 N ATOM 1605 CA THR A 103 -2.813 10.417 4.509 1.00 0.00 C ATOM 1606 C THR A 103 -1.880 9.262 4.850 1.00 0.00 C ATOM 1607 O THR A 103 -1.182 9.298 5.864 1.00 0.00 O ATOM 1608 CB THR A 103 -4.241 10.085 4.946 1.00 0.00 C ATOM 1609 OG1 THR A 103 -5.098 11.194 4.737 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.348 9.694 6.404 1.00 0.00 C ATOM 0 H THR A 103 -3.503 10.274 2.532 1.00 0.00 H new ATOM 0 HA THR A 103 -2.475 11.301 5.049 1.00 0.00 H new ATOM 0 HB THR A 103 -4.538 9.232 4.336 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.567 11.089 3.883 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.387 9.472 6.646 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.736 8.812 6.590 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.998 10.516 7.028 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.861 8.241 4.002 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.999 7.094 4.230 1.00 0.00 C ATOM 1620 C LEU A 104 0.458 7.535 4.237 1.00 0.00 C ATOM 1621 O LEU A 104 1.170 7.338 5.221 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.232 6.020 3.164 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.143 4.868 3.596 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.443 5.402 4.177 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.424 3.939 2.426 1.00 0.00 C ATOM 0 H LEU A 104 -2.429 8.186 3.157 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.241 6.662 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.663 6.493 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.267 5.609 2.867 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.629 4.299 4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.077 4.568 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.225 6.024 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.960 5.998 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.073 3.127 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.915 4.497 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.486 3.526 2.056 1.00 0.00 H new ATOM 1637 N GLN A 105 0.887 8.156 3.141 1.00 0.00 N ATOM 1638 CA GLN A 105 2.256 8.650 3.028 1.00 0.00 C ATOM 1639 C GLN A 105 2.596 9.547 4.212 1.00 0.00 C ATOM 1640 O GLN A 105 3.757 9.654 4.611 1.00 0.00 O ATOM 1641 CB GLN A 105 2.440 9.419 1.718 1.00 0.00 C ATOM 1642 CG GLN A 105 1.593 10.678 1.625 1.00 0.00 C ATOM 1643 CD GLN A 105 1.590 11.275 0.233 1.00 0.00 C ATOM 1644 OE1 GLN A 105 1.229 10.465 -0.756 1.00 0.00 O flip ATOM 1645 NE2 GLN A 105 1.909 12.449 0.047 1.00 0.00 N flip ATOM 0 H GLN A 105 0.307 8.329 2.320 1.00 0.00 H new ATOM 0 HA GLN A 105 2.931 7.795 3.030 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.490 9.689 1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.193 8.763 0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.569 10.446 1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.968 11.417 2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.180 13.035 0.837 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.903 12.836 -0.897 1.00 0.00 H new ATOM 1654 N GLN A 106 1.573 10.181 4.780 1.00 0.00 N ATOM 1655 CA GLN A 106 1.766 11.054 5.931 1.00 0.00 C ATOM 1656 C GLN A 106 2.294 10.248 7.107 1.00 0.00 C ATOM 1657 O GLN A 106 3.126 10.719 7.882 1.00 0.00 O ATOM 1658 CB GLN A 106 0.456 11.755 6.305 1.00 0.00 C ATOM 1659 CG GLN A 106 0.462 13.250 6.024 1.00 0.00 C ATOM 1660 CD GLN A 106 1.680 13.949 6.594 1.00 0.00 C ATOM 1661 OE1 GLN A 106 2.701 14.127 5.763 1.00 0.00 O flip ATOM 1662 NE2 GLN A 106 1.705 14.325 7.765 1.00 0.00 N flip ATOM 0 H GLN A 106 0.607 10.106 4.462 1.00 0.00 H new ATOM 0 HA GLN A 106 2.496 11.820 5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.363 11.294 5.753 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.257 11.594 7.365 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.426 13.413 4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.438 13.698 6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.898 14.168 8.369 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.533 14.794 8.132 1.00 0.00 H new ATOM 1671 N ILE A 107 1.819 9.015 7.209 1.00 0.00 N ATOM 1672 CA ILE A 107 2.251 8.110 8.263 1.00 0.00 C ATOM 1673 C ILE A 107 3.616 7.529 7.908 1.00 0.00 C ATOM 1674 O ILE A 107 4.465 7.312 8.772 1.00 0.00 O ATOM 1675 CB ILE A 107 1.238 6.961 8.467 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -0.089 7.509 9.000 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.801 5.907 9.409 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.239 7.349 8.030 1.00 0.00 C ATOM 0 H ILE A 107 1.130 8.617 6.570 1.00 0.00 H new ATOM 0 HA ILE A 107 2.316 8.676 9.192 1.00 0.00 H new ATOM 0 HB ILE A 107 1.054 6.489 7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.336 7.000 9.932 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.032 8.566 9.237 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.071 5.108 9.538 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.719 5.496 8.988 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.017 6.361 10.376 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.147 7.758 8.472 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.013 7.882 7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.386 6.291 7.812 1.00 0.00 H new ATOM 1690 N ILE A 108 3.810 7.297 6.616 1.00 0.00 N ATOM 1691 CA ILE A 108 5.061 6.760 6.097 1.00 0.00 C ATOM 1692 C ILE A 108 6.231 7.645 6.497 1.00 0.00 C ATOM 1693 O ILE A 108 7.207 7.186 7.089 1.00 0.00 O ATOM 1694 CB ILE A 108 5.017 6.675 4.559 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.754 5.956 4.103 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.247 5.979 4.014 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.637 4.541 4.615 1.00 0.00 C ATOM 0 H ILE A 108 3.106 7.475 5.900 1.00 0.00 H new ATOM 0 HA ILE A 108 5.192 5.763 6.519 1.00 0.00 H new ATOM 0 HB ILE A 108 5.004 7.692 4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.885 6.525 4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.730 5.941 3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.188 5.934 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.139 6.534 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.301 4.968 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.712 4.096 4.247 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.486 3.955 4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.628 4.548 5.705 1.00 0.00 H new ATOM 1709 N SER A 109 6.116 8.924 6.159 1.00 0.00 N ATOM 1710 CA SER A 109 7.155 9.903 6.467 1.00 0.00 C ATOM 1711 C SER A 109 7.548 9.862 7.941 1.00 0.00 C ATOM 1712 O SER A 109 8.663 10.239 8.305 1.00 0.00 O ATOM 1713 CB SER A 109 6.684 11.309 6.093 1.00 0.00 C ATOM 1714 OG SER A 109 6.286 11.370 4.734 1.00 0.00 O ATOM 0 H SER A 109 5.309 9.310 5.669 1.00 0.00 H new ATOM 0 HA SER A 109 8.035 9.646 5.877 1.00 0.00 H new ATOM 0 HB2 SER A 109 5.850 11.598 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.487 12.024 6.272 1.00 0.00 H new ATOM 0 HG SER A 109 5.401 10.961 4.634 1.00 0.00 H new ATOM 1720 N ARG A 110 6.632 9.403 8.784 1.00 0.00 N ATOM 1721 CA ARG A 110 6.890 9.313 10.218 1.00 0.00 C ATOM 1722 C ARG A 110 8.119 8.454 10.500 1.00 0.00 C ATOM 1723 O ARG A 110 8.806 8.644 11.503 1.00 0.00 O ATOM 1724 CB ARG A 110 5.677 8.732 10.949 1.00 0.00 C ATOM 1725 CG ARG A 110 4.377 9.464 10.658 1.00 0.00 C ATOM 1726 CD ARG A 110 3.226 8.909 11.484 1.00 0.00 C ATOM 1727 NE ARG A 110 3.431 9.110 12.917 1.00 0.00 N ATOM 1728 CZ ARG A 110 4.093 8.261 13.702 1.00 0.00 C ATOM 1729 NH1 ARG A 110 4.620 7.151 13.200 1.00 0.00 N ATOM 1730 NH2 ARG A 110 4.231 8.526 14.994 1.00 0.00 N ATOM 0 H ARG A 110 5.704 9.087 8.501 1.00 0.00 H new ATOM 0 HA ARG A 110 7.077 10.322 10.585 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.564 7.684 10.670 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.865 8.757 12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.501 10.526 10.872 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.140 9.378 9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.297 9.391 11.180 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.114 7.844 11.280 1.00 0.00 H new ATOM 0 HE ARG A 110 3.043 9.952 13.342 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.520 6.943 12.207 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.125 6.506 13.808 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.831 9.379 15.385 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.737 7.877 15.596 1.00 0.00 H new ATOM 1744 N TYR A 111 8.386 7.505 9.608 1.00 0.00 N ATOM 1745 CA TYR A 111 9.529 6.612 9.759 1.00 0.00 C ATOM 1746 C TYR A 111 10.753 7.165 9.038 1.00 0.00 C ATOM 1747 O TYR A 111 11.889 6.922 9.446 1.00 0.00 O ATOM 1748 CB TYR A 111 9.190 5.219 9.220 1.00 0.00 C ATOM 1749 CG TYR A 111 7.740 4.831 9.403 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.200 4.666 10.673 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.908 4.634 8.306 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.874 4.316 10.844 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.582 4.284 8.470 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.071 4.127 9.741 1.00 0.00 C ATOM 1755 OH TYR A 111 3.753 3.779 9.908 1.00 0.00 O ATOM 0 H TYR A 111 7.826 7.335 8.773 1.00 0.00 H new ATOM 0 HA TYR A 111 9.760 6.537 10.822 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.436 5.180 8.159 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.819 4.483 9.720 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.827 4.814 11.540 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.305 4.757 7.309 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.469 4.191 11.838 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.949 4.134 7.608 1.00 0.00 H new ATOM 0 HH TYR A 111 3.478 3.972 10.829 1.00 0.00 H new ATOM 1765 N LYS A 112 10.515 7.912 7.964 1.00 0.00 N ATOM 1766 CA LYS A 112 11.600 8.501 7.187 1.00 0.00 C ATOM 1767 C LYS A 112 12.289 9.611 7.973 1.00 0.00 C ATOM 1768 O LYS A 112 13.474 9.518 8.292 1.00 0.00 O ATOM 1769 CB LYS A 112 11.069 9.051 5.862 1.00 0.00 C ATOM 1770 CG LYS A 112 10.110 8.110 5.151 1.00 0.00 C ATOM 1771 CD LYS A 112 10.729 6.738 4.936 1.00 0.00 C ATOM 1772 CE LYS A 112 9.724 5.758 4.352 1.00 0.00 C ATOM 1773 NZ LYS A 112 8.941 5.066 5.412 1.00 0.00 N ATOM 0 H LYS A 112 9.581 8.123 7.612 1.00 0.00 H new ATOM 0 HA LYS A 112 12.331 7.719 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.563 9.998 6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.911 9.263 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.196 8.010 5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.827 8.537 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.585 6.825 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.104 6.354 5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.043 6.290 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.248 5.018 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.316 4.359 4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.592 4.593 6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.368 5.762 5.930 1.00 0.00 H new ATOM 1787 N ASP A 113 11.538 10.663 8.280 1.00 0.00 N ATOM 1788 CA ASP A 113 12.074 11.793 9.029 1.00 0.00 C ATOM 1789 C ASP A 113 12.573 11.350 10.400 1.00 0.00 C ATOM 1790 O ASP A 113 13.524 11.918 10.939 1.00 0.00 O ATOM 1791 CB ASP A 113 11.009 12.879 9.187 1.00 0.00 C ATOM 1792 CG ASP A 113 11.031 13.883 8.052 1.00 0.00 C ATOM 1793 OD1 ASP A 113 11.257 13.467 6.896 1.00 0.00 O ATOM 1794 OD2 ASP A 113 10.824 15.086 8.318 1.00 0.00 O ATOM 0 H ASP A 113 10.556 10.757 8.021 1.00 0.00 H new ATOM 0 HA ASP A 113 12.917 12.200 8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.025 12.413 9.237 1.00 0.00 H new ATOM 0 HB3 ASP A 113 11.163 13.400 10.132 1.00 0.00 H new ATOM 1799 N ALA A 114 11.926 10.334 10.960 1.00 0.00 N ATOM 1800 CA ALA A 114 12.304 9.814 12.268 1.00 0.00 C ATOM 1801 C ALA A 114 13.592 9.002 12.185 1.00 0.00 C ATOM 1802 O ALA A 114 14.594 9.343 12.812 1.00 0.00 O ATOM 1803 CB ALA A 114 11.179 8.966 12.844 1.00 0.00 C ATOM 0 H ALA A 114 11.137 9.854 10.528 1.00 0.00 H new ATOM 0 HA ALA A 114 12.482 10.661 12.931 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.475 8.584 13.821 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.281 9.575 12.949 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.974 8.130 12.175 1.00 0.00 H new ATOM 1809 N ASP A 115 13.556 7.924 11.407 1.00 0.00 N ATOM 1810 CA ASP A 115 14.721 7.063 11.243 1.00 0.00 C ATOM 1811 C ASP A 115 15.887 7.836 10.635 1.00 0.00 C ATOM 1812 O ASP A 115 16.908 7.197 10.300 1.00 0.00 O ATOM 1813 CB ASP A 115 14.373 5.864 10.359 1.00 0.00 C ATOM 1814 CG ASP A 115 15.262 4.667 10.632 1.00 0.00 C ATOM 1815 OD1 ASP A 115 16.369 4.862 11.178 1.00 0.00 O ATOM 1816 OD2 ASP A 115 14.852 3.534 10.299 1.00 0.00 O ATOM 0 H ASP A 115 12.734 7.627 10.881 1.00 0.00 H new ATOM 0 HA ASP A 115 15.020 6.705 12.228 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.332 5.585 10.523 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.465 6.150 9.311 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N TYR B 90 -1.264 -1.536 -20.766 1.00 0.00 N ATOM 1823 CA TYR B 90 0.006 -1.980 -20.136 1.00 0.00 C ATOM 1824 C TYR B 90 -0.113 -2.003 -18.615 1.00 0.00 C ATOM 1825 O TYR B 90 -0.033 -0.964 -17.961 1.00 0.00 O ATOM 1826 CB TYR B 90 1.122 -1.026 -20.566 1.00 0.00 C ATOM 1827 CG TYR B 90 2.403 -1.729 -20.955 1.00 0.00 C ATOM 1828 CD1 TYR B 90 2.499 -2.431 -22.150 1.00 0.00 C ATOM 1829 CD2 TYR B 90 3.518 -1.690 -20.126 1.00 0.00 C ATOM 1830 CE1 TYR B 90 3.668 -3.074 -22.509 1.00 0.00 C ATOM 1831 CE2 TYR B 90 4.691 -2.331 -20.478 1.00 0.00 C ATOM 1832 CZ TYR B 90 4.760 -3.021 -21.670 1.00 0.00 C ATOM 1833 OH TYR B 90 5.926 -3.661 -22.023 1.00 0.00 O ATOM 0 HA TYR B 90 0.233 -2.995 -20.462 1.00 0.00 H new ATOM 0 HB2 TYR B 90 0.774 -0.430 -21.410 1.00 0.00 H new ATOM 0 HB3 TYR B 90 1.331 -0.333 -19.751 1.00 0.00 H new ATOM 0 HD1 TYR B 90 1.645 -2.475 -22.810 1.00 0.00 H new ATOM 0 HD2 TYR B 90 3.467 -1.150 -19.192 1.00 0.00 H new ATOM 0 HE1 TYR B 90 3.726 -3.615 -23.442 1.00 0.00 H new ATOM 0 HE2 TYR B 90 5.549 -2.292 -19.823 1.00 0.00 H new ATOM 0 HH TYR B 90 6.599 -3.525 -21.323 1.00 0.00 H new ATOM 1843 N ASP B 91 -0.302 -3.195 -18.059 1.00 0.00 N ATOM 1844 CA ASP B 91 -0.432 -3.353 -16.616 1.00 0.00 C ATOM 1845 C ASP B 91 0.824 -2.866 -15.900 1.00 0.00 C ATOM 1846 O ASP B 91 0.744 -2.232 -14.848 1.00 0.00 O ATOM 1847 CB ASP B 91 -0.696 -4.818 -16.265 1.00 0.00 C ATOM 1848 CG ASP B 91 -2.173 -5.162 -16.289 1.00 0.00 C ATOM 1849 OD1 ASP B 91 -2.924 -4.609 -15.458 1.00 0.00 O ATOM 1850 OD2 ASP B 91 -2.578 -5.982 -17.139 1.00 0.00 O ATOM 0 H ASP B 91 -0.369 -4.066 -18.586 1.00 0.00 H new ATOM 0 HA ASP B 91 -1.276 -2.748 -16.284 1.00 0.00 H new ATOM 0 HB2 ASP B 91 -0.165 -5.459 -16.969 1.00 0.00 H new ATOM 0 HB3 ASP B 91 -0.293 -5.030 -15.275 1.00 0.00 H new ATOM 1855 N SER B 92 1.982 -3.166 -16.477 1.00 0.00 N ATOM 1856 CA SER B 92 3.255 -2.757 -15.894 1.00 0.00 C ATOM 1857 C SER B 92 3.342 -1.238 -15.786 1.00 0.00 C ATOM 1858 O SER B 92 3.963 -0.706 -14.866 1.00 0.00 O ATOM 1859 CB SER B 92 4.419 -3.289 -16.733 1.00 0.00 C ATOM 1860 OG SER B 92 4.026 -3.489 -18.080 1.00 0.00 O ATOM 0 H SER B 92 2.066 -3.691 -17.348 1.00 0.00 H new ATOM 0 HA SER B 92 3.318 -3.178 -14.890 1.00 0.00 H new ATOM 0 HB2 SER B 92 5.251 -2.586 -16.694 1.00 0.00 H new ATOM 0 HB3 SER B 92 4.776 -4.229 -16.311 1.00 0.00 H new ATOM 0 HG SER B 92 4.206 -2.676 -18.597 1.00 0.00 H new ATOM 1866 N GLU B 93 2.716 -0.547 -16.732 1.00 0.00 N ATOM 1867 CA GLU B 93 2.721 0.912 -16.742 1.00 0.00 C ATOM 1868 C GLU B 93 1.356 1.468 -16.348 1.00 0.00 C ATOM 1869 O GLU B 93 0.971 2.555 -16.777 1.00 0.00 O ATOM 1870 CB GLU B 93 3.116 1.431 -18.126 1.00 0.00 C ATOM 1871 CG GLU B 93 4.609 1.666 -18.286 1.00 0.00 C ATOM 1872 CD GLU B 93 5.349 0.423 -18.741 1.00 0.00 C ATOM 1873 OE1 GLU B 93 5.431 -0.541 -17.951 1.00 0.00 O ATOM 1874 OE2 GLU B 93 5.847 0.414 -19.886 1.00 0.00 O ATOM 0 H GLU B 93 2.199 -0.973 -17.501 1.00 0.00 H new ATOM 0 HA GLU B 93 3.454 1.251 -16.010 1.00 0.00 H new ATOM 0 HB2 GLU B 93 2.787 0.716 -18.880 1.00 0.00 H new ATOM 0 HB3 GLU B 93 2.587 2.364 -18.319 1.00 0.00 H new ATOM 0 HG2 GLU B 93 4.772 2.466 -19.008 1.00 0.00 H new ATOM 0 HG3 GLU B 93 5.024 2.004 -17.336 1.00 0.00 H new ATOM 1881 N GLU B 94 0.629 0.713 -15.530 1.00 0.00 N ATOM 1882 CA GLU B 94 -0.693 1.131 -15.077 1.00 0.00 C ATOM 1883 C GLU B 94 -0.740 1.252 -13.557 1.00 0.00 C ATOM 1884 O GLU B 94 -1.803 1.137 -12.948 1.00 0.00 O ATOM 1885 CB GLU B 94 -1.755 0.139 -15.554 1.00 0.00 C ATOM 1886 CG GLU B 94 -3.178 0.651 -15.404 1.00 0.00 C ATOM 1887 CD GLU B 94 -3.770 1.123 -16.718 1.00 0.00 C ATOM 1888 OE1 GLU B 94 -3.826 0.313 -17.668 1.00 0.00 O ATOM 1889 OE2 GLU B 94 -4.177 2.301 -16.797 1.00 0.00 O ATOM 0 H GLU B 94 0.933 -0.191 -15.168 1.00 0.00 H new ATOM 0 HA GLU B 94 -0.901 2.112 -15.505 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -1.572 -0.100 -16.602 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -1.651 -0.790 -14.993 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -3.803 -0.141 -14.992 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -3.191 1.473 -14.688 1.00 0.00 H new ATOM 1896 N PHE B 95 0.419 1.483 -12.948 1.00 0.00 N ATOM 1897 CA PHE B 95 0.506 1.618 -11.499 1.00 0.00 C ATOM 1898 C PHE B 95 1.878 2.144 -11.083 1.00 0.00 C ATOM 1899 O PHE B 95 2.906 1.684 -11.579 1.00 0.00 O ATOM 1900 CB PHE B 95 0.235 0.271 -10.824 1.00 0.00 C ATOM 1901 CG PHE B 95 -0.735 0.356 -9.681 1.00 0.00 C ATOM 1902 CD1 PHE B 95 -0.552 1.284 -8.668 1.00 0.00 C ATOM 1903 CD2 PHE B 95 -1.829 -0.491 -9.618 1.00 0.00 C ATOM 1904 CE1 PHE B 95 -1.443 1.365 -7.615 1.00 0.00 C ATOM 1905 CE2 PHE B 95 -2.723 -0.415 -8.568 1.00 0.00 C ATOM 1906 CZ PHE B 95 -2.530 0.514 -7.564 1.00 0.00 C ATOM 0 H PHE B 95 1.310 1.580 -13.435 1.00 0.00 H new ATOM 0 HA PHE B 95 -0.250 2.335 -11.179 1.00 0.00 H new ATOM 0 HB2 PHE B 95 -0.152 -0.427 -11.567 1.00 0.00 H new ATOM 0 HB3 PHE B 95 1.177 -0.140 -10.461 1.00 0.00 H new ATOM 0 HD1 PHE B 95 0.297 1.951 -8.702 1.00 0.00 H new ATOM 0 HD2 PHE B 95 -1.985 -1.220 -10.400 1.00 0.00 H new ATOM 0 HE1 PHE B 95 -1.290 2.093 -6.832 1.00 0.00 H new ATOM 0 HE2 PHE B 95 -3.572 -1.081 -8.532 1.00 0.00 H new ATOM 0 HZ PHE B 95 -3.227 0.575 -6.741 1.00 0.00 H new ATOM 1916 N GLU B 96 1.885 3.110 -10.171 1.00 0.00 N ATOM 1917 CA GLU B 96 3.130 3.698 -9.691 1.00 0.00 C ATOM 1918 C GLU B 96 3.122 3.822 -8.170 1.00 0.00 C ATOM 1919 O GLU B 96 2.073 3.722 -7.534 1.00 0.00 O ATOM 1920 CB GLU B 96 3.347 5.074 -10.324 1.00 0.00 C ATOM 1921 CG GLU B 96 2.169 6.017 -10.149 1.00 0.00 C ATOM 1922 CD GLU B 96 2.467 7.421 -10.638 1.00 0.00 C ATOM 1923 OE1 GLU B 96 2.972 7.558 -11.773 1.00 0.00 O ATOM 1924 OE2 GLU B 96 2.197 8.382 -9.888 1.00 0.00 O ATOM 0 H GLU B 96 1.043 3.502 -9.750 1.00 0.00 H new ATOM 0 HA GLU B 96 3.949 3.039 -9.981 1.00 0.00 H new ATOM 0 HB2 GLU B 96 4.235 5.530 -9.886 1.00 0.00 H new ATOM 0 HB3 GLU B 96 3.546 4.948 -11.388 1.00 0.00 H new ATOM 0 HG2 GLU B 96 1.309 5.623 -10.691 1.00 0.00 H new ATOM 0 HG3 GLU B 96 1.892 6.055 -9.095 1.00 0.00 H new ATOM 1931 N ASP B 97 4.300 4.040 -7.593 1.00 0.00 N ATOM 1932 CA ASP B 97 4.430 4.178 -6.148 1.00 0.00 C ATOM 1933 C ASP B 97 4.423 5.647 -5.738 1.00 0.00 C ATOM 1934 O ASP B 97 4.649 6.533 -6.561 1.00 0.00 O ATOM 1935 CB ASP B 97 5.718 3.508 -5.665 1.00 0.00 C ATOM 1936 CG ASP B 97 6.958 4.129 -6.279 1.00 0.00 C ATOM 1937 OD1 ASP B 97 7.284 3.786 -7.434 1.00 0.00 O ATOM 1938 OD2 ASP B 97 7.602 4.959 -5.603 1.00 0.00 O ATOM 0 H ASP B 97 5.178 4.125 -8.105 1.00 0.00 H new ATOM 0 HA ASP B 97 3.576 3.686 -5.683 1.00 0.00 H new ATOM 0 HB2 ASP B 97 5.778 3.582 -4.579 1.00 0.00 H new ATOM 0 HB3 ASP B 97 5.687 2.447 -5.911 1.00 0.00 H new ATOM 1943 N VAL B 98 4.160 5.897 -4.458 1.00 0.00 N ATOM 1944 CA VAL B 98 4.124 7.258 -3.938 1.00 0.00 C ATOM 1945 C VAL B 98 4.731 7.326 -2.539 1.00 0.00 C ATOM 1946 O VAL B 98 4.203 6.742 -1.593 1.00 0.00 O ATOM 1947 CB VAL B 98 2.683 7.804 -3.892 1.00 0.00 C ATOM 1948 CG1 VAL B 98 1.816 6.958 -2.972 1.00 0.00 C ATOM 1949 CG2 VAL B 98 2.674 9.262 -3.455 1.00 0.00 C ATOM 0 H VAL B 98 3.969 5.175 -3.764 1.00 0.00 H new ATOM 0 HA VAL B 98 4.714 7.874 -4.617 1.00 0.00 H new ATOM 0 HB VAL B 98 2.265 7.749 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL B 98 0.803 7.361 -2.954 1.00 0.00 H new ATOM 0 HG12 VAL B 98 1.792 5.931 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL B 98 2.231 6.975 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL B 98 1.648 9.628 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL B 98 3.115 9.347 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL B 98 3.254 9.857 -4.161 1.00 0.00 H new ATOM 1959 N THR B 99 5.842 8.045 -2.417 1.00 0.00 N ATOM 1960 CA THR B 99 6.521 8.191 -1.134 1.00 0.00 C ATOM 1961 C THR B 99 7.153 9.572 -1.007 1.00 0.00 C ATOM 1962 O THR B 99 7.072 10.390 -1.923 1.00 0.00 O ATOM 1963 CB THR B 99 7.593 7.111 -0.976 1.00 0.00 C ATOM 1964 OG1 THR B 99 7.281 5.976 -1.765 1.00 0.00 O ATOM 1965 CG2 THR B 99 7.764 6.642 0.454 1.00 0.00 C ATOM 0 H THR B 99 6.291 8.535 -3.190 1.00 0.00 H new ATOM 0 HA THR B 99 5.779 8.077 -0.343 1.00 0.00 H new ATOM 0 HB THR B 99 8.523 7.577 -1.303 1.00 0.00 H new ATOM 0 HG1 THR B 99 7.979 5.297 -1.652 1.00 0.00 H new ATOM 0 HG21 THR B 99 8.539 5.877 0.496 1.00 0.00 H new ATOM 0 HG22 THR B 99 8.053 7.485 1.081 1.00 0.00 H new ATOM 0 HG23 THR B 99 6.824 6.226 0.815 1.00 0.00 H new ATOM 1973 N ASP B 100 7.783 9.827 0.136 1.00 0.00 N ATOM 1974 CA ASP B 100 8.429 11.109 0.383 1.00 0.00 C ATOM 1975 C ASP B 100 9.834 10.912 0.946 1.00 0.00 C ATOM 1976 O ASP B 100 10.233 9.793 1.265 1.00 0.00 O ATOM 1977 CB ASP B 100 7.593 11.947 1.352 1.00 0.00 C ATOM 1978 CG ASP B 100 6.596 12.837 0.635 1.00 0.00 C ATOM 1979 OD1 ASP B 100 6.018 12.385 -0.376 1.00 0.00 O ATOM 1980 OD2 ASP B 100 6.394 13.985 1.084 1.00 0.00 O ATOM 0 H ASP B 100 7.859 9.161 0.905 1.00 0.00 H new ATOM 0 HA ASP B 100 8.508 11.636 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP B 100 7.060 11.285 2.034 1.00 0.00 H new ATOM 0 HB3 ASP B 100 8.255 12.564 1.959 1.00 0.00 H new ATOM 1985 N GLY B 101 10.577 12.007 1.064 1.00 0.00 N ATOM 1986 CA GLY B 101 11.928 11.933 1.587 1.00 0.00 C ATOM 1987 C GLY B 101 12.772 13.128 1.189 1.00 0.00 C ATOM 1988 O GLY B 101 12.628 14.213 1.751 1.00 0.00 O ATOM 0 H GLY B 101 10.268 12.944 0.807 1.00 0.00 H new ATOM 0 HA2 GLY B 101 11.890 11.865 2.674 1.00 0.00 H new ATOM 0 HA3 GLY B 101 12.404 11.021 1.227 1.00 0.00 H new ATOM 1992 N ASN B 102 13.654 12.927 0.214 1.00 0.00 N ATOM 1993 CA ASN B 102 14.524 13.997 -0.260 1.00 0.00 C ATOM 1994 C ASN B 102 15.415 14.514 0.865 1.00 0.00 C ATOM 1995 O ASN B 102 15.721 15.704 0.930 1.00 0.00 O ATOM 1996 CB ASN B 102 13.691 15.144 -0.834 1.00 0.00 C ATOM 1997 CG ASN B 102 14.364 15.813 -2.017 1.00 0.00 C ATOM 1998 OD1 ASN B 102 15.350 16.531 -1.859 1.00 0.00 O ATOM 1999 ND2 ASN B 102 13.830 15.580 -3.211 1.00 0.00 N ATOM 0 H ASN B 102 13.784 12.034 -0.262 1.00 0.00 H new ATOM 0 HA ASN B 102 15.161 13.591 -1.046 1.00 0.00 H new ATOM 0 HB2 ASN B 102 12.717 14.763 -1.141 1.00 0.00 H new ATOM 0 HB3 ASN B 102 13.512 15.885 -0.055 1.00 0.00 H new ATOM 0 HD21 ASN B 102 14.239 16.004 -4.044 1.00 0.00 H new ATOM 0 HD22 ASN B 102 13.011 14.977 -3.295 1.00 0.00 H new ATOM 2006 N GLU B 103 15.826 13.611 1.749 1.00 0.00 N ATOM 2007 CA GLU B 103 16.681 13.976 2.873 1.00 0.00 C ATOM 2008 C GLU B 103 17.579 12.810 3.274 1.00 0.00 C ATOM 2009 O GLU B 103 18.805 12.908 3.214 1.00 0.00 O ATOM 2010 CB GLU B 103 15.831 14.414 4.067 1.00 0.00 C ATOM 2011 CG GLU B 103 16.454 15.540 4.876 1.00 0.00 C ATOM 2012 CD GLU B 103 17.182 15.039 6.108 1.00 0.00 C ATOM 2013 OE1 GLU B 103 18.353 14.625 5.979 1.00 0.00 O ATOM 2014 OE2 GLU B 103 16.580 15.058 7.203 1.00 0.00 O ATOM 0 H GLU B 103 15.581 12.622 1.709 1.00 0.00 H new ATOM 0 HA GLU B 103 17.313 14.808 2.561 1.00 0.00 H new ATOM 0 HB2 GLU B 103 14.853 14.734 3.708 1.00 0.00 H new ATOM 0 HB3 GLU B 103 15.667 13.557 4.720 1.00 0.00 H new ATOM 0 HG2 GLU B 103 17.151 16.092 4.246 1.00 0.00 H new ATOM 0 HG3 GLU B 103 15.675 16.240 5.178 1.00 0.00 H new ATOM 2021 N VAL B 104 16.961 11.707 3.683 1.00 0.00 N ATOM 2022 CA VAL B 104 17.704 10.522 4.093 1.00 0.00 C ATOM 2023 C VAL B 104 17.015 9.249 3.612 1.00 0.00 C ATOM 2024 O VAL B 104 16.269 9.324 2.613 1.00 0.00 O ATOM 2025 CB VAL B 104 17.865 10.459 5.625 1.00 0.00 C ATOM 2026 CG1 VAL B 104 18.907 9.420 6.014 1.00 0.00 C ATOM 2027 CG2 VAL B 104 18.231 11.826 6.184 1.00 0.00 C ATOM 0 H VAL B 104 15.947 11.609 3.739 1.00 0.00 H new ATOM 0 HA VAL B 104 18.691 10.594 3.636 1.00 0.00 H new ATOM 0 HB VAL B 104 16.910 10.160 6.057 1.00 0.00 H new ATOM 0 HG11 VAL B 104 19.005 9.392 7.099 1.00 0.00 H new ATOM 0 HG12 VAL B 104 18.596 8.440 5.652 1.00 0.00 H new ATOM 0 HG13 VAL B 104 19.867 9.683 5.570 1.00 0.00 H new ATOM 0 HG21 VAL B 104 18.340 11.759 7.266 1.00 0.00 H new ATOM 0 HG22 VAL B 104 19.171 12.159 5.745 1.00 0.00 H new ATOM 0 HG23 VAL B 104 17.444 12.541 5.942 1.00 0.00 H new TER 2037 VAL B 104