USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 677 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.0124) USER MOD Single : A 1 MET N :NH3+ -117:sc= -1.43 (180deg=-2.45!) USER MOD Single : A 5 MET CE :methyl 131:sc= -4.84! (180deg=-6.32!) USER MOD Single : A 12 GLN : amide:sc= -0.944 K(o=-0.94,f=-3.2!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 43:sc= 0.56 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 18 THR OG1 : rot -29:sc= -3.09! USER MOD Single : A 20 SER OG : rot -47:sc= 0.131 USER MOD Single : A 24 THR OG1 : rot -150:sc= -0.534 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0487 X(o=-0.049,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0432) USER MOD Single : A 34 THR OG1 : rot -10:sc= 0.111 USER MOD Single : A 36 THR OG1 : rot -61:sc= -0.306 USER MOD Single : A 43 GLN : amide:sc= -2.33 K(o=-2.3,f=-3.7) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= 0 (180deg=-2.04!) USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= 0.45 (180deg=0.369) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.118) USER MOD Single : A 57 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.49) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0748) USER MOD Single : A 69 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 70 THR OG1 : rot -114:sc= 0.0486 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 156:sc= -5.48! (180deg=-6.31!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.233 2.246 -0.823 1.00 0.00 N ATOM 2 CA MET A 1 3.181 0.839 -0.442 1.00 0.00 C ATOM 3 C MET A 1 3.921 -0.027 -1.457 1.00 0.00 C ATOM 4 O MET A 1 3.712 0.099 -2.663 1.00 0.00 O ATOM 5 CB MET A 1 1.728 0.375 -0.321 1.00 0.00 C ATOM 6 CG MET A 1 1.543 -0.806 0.618 1.00 0.00 C ATOM 7 SD MET A 1 -0.116 -0.883 1.320 1.00 0.00 S ATOM 8 CE MET A 1 -1.092 -1.186 -0.151 1.00 0.00 C ATOM 0 H1 MET A 1 3.747 2.784 -0.096 1.00 0.00 H new ATOM 0 H2 MET A 1 3.723 2.341 -1.735 1.00 0.00 H new ATOM 0 H3 MET A 1 2.266 2.618 -0.910 1.00 0.00 H new ATOM 0 HA MET A 1 3.671 0.732 0.526 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.118 1.207 0.030 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.358 0.104 -1.310 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.748 -1.730 0.078 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.272 -0.741 1.426 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.143 -1.276 0.122 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.968 -0.356 -0.847 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.759 -2.110 -0.624 1.00 0.00 H new ATOM 18 N ALA A 2 4.786 -0.905 -0.959 1.00 0.00 N ATOM 19 CA ALA A 2 5.555 -1.792 -1.823 1.00 0.00 C ATOM 20 C ALA A 2 6.459 -0.998 -2.760 1.00 0.00 C ATOM 21 O ALA A 2 6.300 -1.044 -3.980 1.00 0.00 O ATOM 22 CB ALA A 2 4.622 -2.690 -2.622 1.00 0.00 C ATOM 0 H ALA A 2 4.971 -1.021 0.037 1.00 0.00 H new ATOM 0 HA ALA A 2 6.188 -2.415 -1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.210 -3.347 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.022 -3.291 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.965 -2.076 -3.238 1.00 0.00 H new ATOM 28 N LEU A 3 7.408 -0.270 -2.182 1.00 0.00 N ATOM 29 CA LEU A 3 8.338 0.536 -2.965 1.00 0.00 C ATOM 30 C LEU A 3 9.718 -0.113 -3.008 1.00 0.00 C ATOM 31 O LEU A 3 10.201 -0.669 -2.022 1.00 0.00 O ATOM 32 CB LEU A 3 8.443 1.945 -2.378 1.00 0.00 C ATOM 33 CG LEU A 3 7.121 2.616 -2.003 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.051 2.300 -3.036 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.674 2.175 -0.617 1.00 0.00 C ATOM 0 H LEU A 3 7.554 -0.221 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 3 7.955 0.601 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.070 1.900 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.958 2.580 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 3 7.274 3.695 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.117 2.786 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.369 2.666 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.899 1.222 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.732 2.662 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.538 1.094 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.432 2.453 0.115 1.00 0.00 H new ATOM 47 N PRO A 4 10.370 -0.040 -4.178 1.00 0.00 N ATOM 48 CA PRO A 4 11.705 -0.613 -4.378 1.00 0.00 C ATOM 49 C PRO A 4 12.783 0.151 -3.617 1.00 0.00 C ATOM 50 O PRO A 4 13.421 1.050 -4.163 1.00 0.00 O ATOM 51 CB PRO A 4 11.923 -0.486 -5.887 1.00 0.00 C ATOM 52 CG PRO A 4 11.055 0.652 -6.301 1.00 0.00 C ATOM 53 CD PRO A 4 9.855 0.607 -5.396 1.00 0.00 C ATOM 0 HA PRO A 4 11.769 -1.637 -4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.970 -0.291 -6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.646 -1.404 -6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.582 1.601 -6.203 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.760 0.558 -7.346 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.471 1.606 -5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.039 0.037 -5.839 1.00 0.00 H new ATOM 61 N MET A 5 12.981 -0.213 -2.354 1.00 0.00 N ATOM 62 CA MET A 5 13.984 0.438 -1.520 1.00 0.00 C ATOM 63 C MET A 5 14.813 -0.594 -0.762 1.00 0.00 C ATOM 64 O MET A 5 14.471 -1.776 -0.730 1.00 0.00 O ATOM 65 CB MET A 5 13.313 1.396 -0.533 1.00 0.00 C ATOM 66 CG MET A 5 11.987 1.948 -1.028 1.00 0.00 C ATOM 67 SD MET A 5 11.313 3.217 0.061 1.00 0.00 S ATOM 68 CE MET A 5 10.147 2.255 1.022 1.00 0.00 C ATOM 0 H MET A 5 12.460 -0.955 -1.886 1.00 0.00 H new ATOM 0 HA MET A 5 14.650 1.006 -2.170 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.151 0.877 0.412 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.989 2.226 -0.328 1.00 0.00 H new ATOM 0 HG2 MET A 5 12.121 2.365 -2.026 1.00 0.00 H new ATOM 0 HG3 MET A 5 11.269 1.133 -1.117 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.293 2.461 2.083 1.00 0.00 H new ATOM 0 HE2 MET A 5 9.130 2.525 0.736 1.00 0.00 H new ATOM 0 HE3 MET A 5 10.308 1.194 0.833 1.00 0.00 H new ATOM 78 N ILE A 6 15.903 -0.139 -0.154 1.00 0.00 N ATOM 79 CA ILE A 6 16.780 -1.023 0.604 1.00 0.00 C ATOM 80 C ILE A 6 16.680 -0.746 2.100 1.00 0.00 C ATOM 81 O ILE A 6 16.592 0.406 2.525 1.00 0.00 O ATOM 82 CB ILE A 6 18.248 -0.873 0.163 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.433 -1.406 -1.259 1.00 0.00 C ATOM 84 CG2 ILE A 6 19.169 -1.602 1.131 1.00 0.00 C ATOM 85 CD1 ILE A 6 17.975 -0.441 -2.330 1.00 0.00 C ATOM 0 H ILE A 6 16.200 0.837 -0.171 1.00 0.00 H new ATOM 0 HA ILE A 6 16.451 -2.042 0.403 1.00 0.00 H new ATOM 0 HB ILE A 6 18.508 0.186 0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.486 -1.639 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.881 -2.340 -1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 6 20.203 -1.487 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 6 19.054 -1.181 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.911 -2.661 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 6 18.136 -0.885 -3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 6 16.914 -0.227 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 6 18.544 0.485 -2.253 1.00 0.00 H new ATOM 97 N VAL A 7 16.695 -1.811 2.896 1.00 0.00 N ATOM 98 CA VAL A 7 16.609 -1.683 4.346 1.00 0.00 C ATOM 99 C VAL A 7 17.985 -1.807 4.991 1.00 0.00 C ATOM 100 O VAL A 7 18.753 -2.715 4.673 1.00 0.00 O ATOM 101 CB VAL A 7 15.674 -2.748 4.949 1.00 0.00 C ATOM 102 CG1 VAL A 7 15.498 -2.521 6.442 1.00 0.00 C ATOM 103 CG2 VAL A 7 14.329 -2.740 4.237 1.00 0.00 C ATOM 0 H VAL A 7 16.766 -2.772 2.561 1.00 0.00 H new ATOM 0 HA VAL A 7 16.202 -0.693 4.553 1.00 0.00 H new ATOM 0 HB VAL A 7 16.129 -3.728 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.834 -3.283 6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.468 -2.582 6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.066 -1.535 6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.681 -3.499 4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.866 -1.759 4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.476 -2.956 3.179 1.00 0.00 H new ATOM 113 N LYS A 8 18.290 -0.887 5.900 1.00 0.00 N ATOM 114 CA LYS A 8 19.573 -0.893 6.593 1.00 0.00 C ATOM 115 C LYS A 8 19.392 -0.584 8.076 1.00 0.00 C ATOM 116 O LYS A 8 19.967 0.372 8.595 1.00 0.00 O ATOM 117 CB LYS A 8 20.522 0.128 5.962 1.00 0.00 C ATOM 118 CG LYS A 8 20.545 0.079 4.444 1.00 0.00 C ATOM 119 CD LYS A 8 21.893 0.512 3.892 1.00 0.00 C ATOM 120 CE LYS A 8 22.108 2.009 4.058 1.00 0.00 C ATOM 121 NZ LYS A 8 23.316 2.480 3.326 1.00 0.00 N ATOM 0 H LYS A 8 17.666 -0.128 6.174 1.00 0.00 H new ATOM 0 HA LYS A 8 20.004 -1.889 6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.230 1.129 6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.530 -0.045 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.322 -0.934 4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.763 0.726 4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.688 -0.030 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.957 0.249 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.231 2.544 3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.210 2.246 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.428 3.505 3.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 24.157 1.988 3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 23.208 2.277 2.312 1.00 0.00 H new ATOM 135 N TRP A 9 18.591 -1.401 8.752 1.00 0.00 N ATOM 136 CA TRP A 9 18.336 -1.215 10.176 1.00 0.00 C ATOM 137 C TRP A 9 19.390 -1.928 11.015 1.00 0.00 C ATOM 138 O TRP A 9 19.934 -2.952 10.606 1.00 0.00 O ATOM 139 CB TRP A 9 16.943 -1.733 10.537 1.00 0.00 C ATOM 140 CG TRP A 9 16.565 -1.476 11.964 1.00 0.00 C ATOM 141 CD1 TRP A 9 16.118 -2.393 12.872 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.599 -0.217 12.646 1.00 0.00 C ATOM 143 NE1 TRP A 9 15.872 -1.780 14.077 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.160 -0.446 13.965 1.00 0.00 C ATOM 145 CE3 TRP A 9 16.959 1.080 12.271 1.00 0.00 C ATOM 146 CZ2 TRP A 9 16.072 0.576 14.907 1.00 0.00 C ATOM 147 CZ3 TRP A 9 16.870 2.093 13.208 1.00 0.00 C ATOM 148 CH2 TRP A 9 16.431 1.836 14.513 1.00 0.00 C ATOM 0 H TRP A 9 18.108 -2.198 8.337 1.00 0.00 H new ATOM 0 HA TRP A 9 18.387 -0.148 10.393 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.208 -1.263 9.884 1.00 0.00 H new ATOM 0 HB3 TRP A 9 16.901 -2.805 10.345 1.00 0.00 H new ATOM 0 HD1 TRP A 9 15.978 -3.445 12.672 1.00 0.00 H new ATOM 0 HE1 TRP A 9 15.530 -2.244 14.919 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.301 1.287 11.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 15.732 0.381 15.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 17.144 3.100 12.929 1.00 0.00 H new ATOM 0 HH2 TRP A 9 16.375 2.649 15.222 1.00 0.00 H new ATOM 159 N GLY A 10 19.674 -1.378 12.192 1.00 0.00 N ATOM 160 CA GLY A 10 20.663 -1.976 13.071 1.00 0.00 C ATOM 161 C GLY A 10 20.363 -3.429 13.377 1.00 0.00 C ATOM 162 O GLY A 10 19.454 -3.734 14.148 1.00 0.00 O ATOM 0 H GLY A 10 19.237 -0.530 12.552 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.648 -1.901 12.609 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.704 -1.413 14.003 1.00 0.00 H new ATOM 166 N GLY A 11 21.130 -4.331 12.770 1.00 0.00 N ATOM 167 CA GLY A 11 20.925 -5.750 12.994 1.00 0.00 C ATOM 168 C GLY A 11 20.539 -6.487 11.727 1.00 0.00 C ATOM 169 O GLY A 11 20.891 -7.653 11.549 1.00 0.00 O ATOM 0 H GLY A 11 21.889 -4.104 12.128 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.837 -6.186 13.401 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.145 -5.888 13.743 1.00 0.00 H new ATOM 173 N GLN A 12 19.813 -5.807 10.846 1.00 0.00 N ATOM 174 CA GLN A 12 19.378 -6.406 9.590 1.00 0.00 C ATOM 175 C GLN A 12 19.467 -5.400 8.447 1.00 0.00 C ATOM 176 O GLN A 12 18.945 -4.290 8.543 1.00 0.00 O ATOM 177 CB GLN A 12 17.945 -6.925 9.718 1.00 0.00 C ATOM 178 CG GLN A 12 17.690 -7.700 11.001 1.00 0.00 C ATOM 179 CD GLN A 12 17.337 -6.797 12.167 1.00 0.00 C ATOM 180 OE1 GLN A 12 17.067 -5.609 11.988 1.00 0.00 O ATOM 181 NE2 GLN A 12 17.338 -7.358 13.370 1.00 0.00 N ATOM 0 H GLN A 12 19.514 -4.841 10.979 1.00 0.00 H new ATOM 0 HA GLN A 12 20.041 -7.242 9.366 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.256 -6.081 9.670 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.723 -7.567 8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.879 -8.410 10.837 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.577 -8.282 11.252 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.568 -8.347 13.472 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.109 -6.801 14.193 1.00 0.00 H new ATOM 190 N GLU A 13 20.133 -5.797 7.367 1.00 0.00 N ATOM 191 CA GLU A 13 20.291 -4.928 6.206 1.00 0.00 C ATOM 192 C GLU A 13 19.838 -5.635 4.932 1.00 0.00 C ATOM 193 O GLU A 13 20.658 -6.032 4.104 1.00 0.00 O ATOM 194 CB GLU A 13 21.749 -4.487 6.066 1.00 0.00 C ATOM 195 CG GLU A 13 21.987 -3.527 4.913 1.00 0.00 C ATOM 196 CD GLU A 13 23.311 -2.797 5.025 1.00 0.00 C ATOM 197 OE1 GLU A 13 23.549 -2.158 6.071 1.00 0.00 O ATOM 198 OE2 GLU A 13 24.109 -2.864 4.066 1.00 0.00 O ATOM 0 H GLU A 13 20.571 -6.713 7.272 1.00 0.00 H new ATOM 0 HA GLU A 13 19.665 -4.048 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 13 22.067 -4.012 6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.375 -5.369 5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.959 -4.079 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 13 21.177 -2.799 4.878 1.00 0.00 H new ATOM 205 N TYR A 14 18.527 -5.789 4.782 1.00 0.00 N ATOM 206 CA TYR A 14 17.964 -6.450 3.611 1.00 0.00 C ATOM 207 C TYR A 14 17.657 -5.440 2.510 1.00 0.00 C ATOM 208 O TYR A 14 17.924 -4.247 2.654 1.00 0.00 O ATOM 209 CB TYR A 14 16.691 -7.209 3.991 1.00 0.00 C ATOM 210 CG TYR A 14 16.606 -8.591 3.383 1.00 0.00 C ATOM 211 CD1 TYR A 14 17.629 -9.514 3.563 1.00 0.00 C ATOM 212 CD2 TYR A 14 15.504 -8.974 2.629 1.00 0.00 C ATOM 213 CE1 TYR A 14 17.556 -10.778 3.010 1.00 0.00 C ATOM 214 CE2 TYR A 14 15.422 -10.236 2.073 1.00 0.00 C ATOM 215 CZ TYR A 14 16.451 -11.134 2.266 1.00 0.00 C ATOM 216 OH TYR A 14 16.374 -12.392 1.713 1.00 0.00 O ATOM 0 H TYR A 14 17.834 -5.465 5.457 1.00 0.00 H new ATOM 0 HA TYR A 14 18.703 -7.157 3.234 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.640 -7.295 5.076 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.824 -6.628 3.676 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.496 -9.239 4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.697 -8.273 2.475 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.360 -11.483 3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.557 -10.518 1.491 1.00 0.00 H new ATOM 0 HH TYR A 14 15.531 -12.482 1.221 1.00 0.00 H new ATOM 226 N SER A 15 17.095 -5.927 1.409 1.00 0.00 N ATOM 227 CA SER A 15 16.754 -5.069 0.280 1.00 0.00 C ATOM 228 C SER A 15 15.349 -5.374 -0.229 1.00 0.00 C ATOM 229 O SER A 15 15.138 -6.338 -0.964 1.00 0.00 O ATOM 230 CB SER A 15 17.769 -5.251 -0.850 1.00 0.00 C ATOM 231 OG SER A 15 17.878 -6.613 -1.224 1.00 0.00 O ATOM 0 H SER A 15 16.866 -6.912 1.274 1.00 0.00 H new ATOM 0 HA SER A 15 16.781 -4.034 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.468 -4.657 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.743 -4.879 -0.531 1.00 0.00 H new ATOM 0 HG SER A 15 16.984 -7.012 -1.269 1.00 0.00 H new ATOM 237 N VAL A 16 14.390 -4.543 0.167 1.00 0.00 N ATOM 238 CA VAL A 16 13.004 -4.721 -0.250 1.00 0.00 C ATOM 239 C VAL A 16 12.747 -4.065 -1.602 1.00 0.00 C ATOM 240 O VAL A 16 11.863 -3.219 -1.737 1.00 0.00 O ATOM 241 CB VAL A 16 12.026 -4.135 0.787 1.00 0.00 C ATOM 242 CG1 VAL A 16 12.042 -4.961 2.063 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.369 -2.682 1.079 1.00 0.00 C ATOM 0 H VAL A 16 14.547 -3.740 0.776 1.00 0.00 H new ATOM 0 HA VAL A 16 12.834 -5.795 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 16 11.019 -4.171 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.345 -4.532 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.745 -5.985 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 16 13.047 -4.959 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 16 11.669 -2.283 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 16 13.383 -2.620 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.301 -2.100 0.160 1.00 0.00 H new ATOM 253 N THR A 17 13.527 -4.461 -2.603 1.00 0.00 N ATOM 254 CA THR A 17 13.386 -3.911 -3.945 1.00 0.00 C ATOM 255 C THR A 17 12.142 -4.459 -4.635 1.00 0.00 C ATOM 256 O THR A 17 11.401 -5.257 -4.061 1.00 0.00 O ATOM 257 CB THR A 17 14.620 -4.223 -4.813 1.00 0.00 C ATOM 258 OG1 THR A 17 14.533 -3.522 -6.058 1.00 0.00 O ATOM 259 CG2 THR A 17 14.734 -5.718 -5.074 1.00 0.00 C ATOM 0 H THR A 17 14.263 -5.161 -2.509 1.00 0.00 H new ATOM 0 HA THR A 17 13.292 -2.831 -3.836 1.00 0.00 H new ATOM 0 HB THR A 17 15.509 -3.895 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.322 -3.724 -6.603 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.612 -5.914 -5.689 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.829 -6.247 -4.126 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.842 -6.065 -5.595 1.00 0.00 H new ATOM 267 N THR A 18 11.918 -4.026 -5.872 1.00 0.00 N ATOM 268 CA THR A 18 10.763 -4.473 -6.641 1.00 0.00 C ATOM 269 C THR A 18 11.135 -5.616 -7.578 1.00 0.00 C ATOM 270 O THR A 18 10.267 -6.225 -8.206 1.00 0.00 O ATOM 271 CB THR A 18 10.159 -3.322 -7.467 1.00 0.00 C ATOM 272 OG1 THR A 18 8.952 -3.756 -8.104 1.00 0.00 O ATOM 273 CG2 THR A 18 11.146 -2.835 -8.518 1.00 0.00 C ATOM 0 H THR A 18 12.521 -3.366 -6.363 1.00 0.00 H new ATOM 0 HA THR A 18 10.021 -4.823 -5.923 1.00 0.00 H new ATOM 0 HB THR A 18 9.935 -2.497 -6.790 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.000 -4.720 -8.274 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.698 -2.022 -9.089 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.052 -2.478 -8.028 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.396 -3.656 -9.190 1.00 0.00 H new ATOM 281 N LEU A 19 12.428 -5.903 -7.668 1.00 0.00 N ATOM 282 CA LEU A 19 12.915 -6.976 -8.529 1.00 0.00 C ATOM 283 C LEU A 19 12.700 -6.633 -10.000 1.00 0.00 C ATOM 284 O LEU A 19 12.350 -5.503 -10.340 1.00 0.00 O ATOM 285 CB LEU A 19 12.209 -8.289 -8.191 1.00 0.00 C ATOM 286 CG LEU A 19 11.979 -8.564 -6.704 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.945 -9.664 -6.518 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.287 -8.938 -6.023 1.00 0.00 C ATOM 0 H LEU A 19 13.159 -5.409 -7.156 1.00 0.00 H new ATOM 0 HA LEU A 19 13.985 -7.091 -8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.243 -8.299 -8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.794 -9.110 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 19 11.598 -7.654 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.795 -9.846 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.002 -9.357 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.296 -10.578 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.105 -9.130 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.697 -9.834 -6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.998 -8.118 -6.125 1.00 0.00 H new ATOM 300 N SER A 20 12.909 -7.618 -10.868 1.00 0.00 N ATOM 301 CA SER A 20 12.739 -7.421 -12.303 1.00 0.00 C ATOM 302 C SER A 20 11.260 -7.335 -12.668 1.00 0.00 C ATOM 303 O SER A 20 10.396 -7.766 -11.906 1.00 0.00 O ATOM 304 CB SER A 20 13.403 -8.561 -13.078 1.00 0.00 C ATOM 305 OG SER A 20 13.941 -8.098 -14.305 1.00 0.00 O ATOM 0 H SER A 20 13.196 -8.560 -10.603 1.00 0.00 H new ATOM 0 HA SER A 20 13.217 -6.480 -12.575 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.195 -9.003 -12.474 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.673 -9.347 -13.271 1.00 0.00 H new ATOM 0 HG SER A 20 13.277 -7.543 -14.765 1.00 0.00 H new ATOM 311 N GLU A 21 10.978 -6.776 -13.841 1.00 0.00 N ATOM 312 CA GLU A 21 9.604 -6.633 -14.307 1.00 0.00 C ATOM 313 C GLU A 21 8.924 -7.994 -14.422 1.00 0.00 C ATOM 314 O GLU A 21 7.714 -8.113 -14.232 1.00 0.00 O ATOM 315 CB GLU A 21 9.573 -5.919 -15.661 1.00 0.00 C ATOM 316 CG GLU A 21 10.013 -6.796 -16.821 1.00 0.00 C ATOM 317 CD GLU A 21 11.452 -7.257 -16.690 1.00 0.00 C ATOM 318 OE1 GLU A 21 12.322 -6.413 -16.390 1.00 0.00 O ATOM 319 OE2 GLU A 21 11.708 -8.464 -16.888 1.00 0.00 O ATOM 0 H GLU A 21 11.682 -6.415 -14.485 1.00 0.00 H new ATOM 0 HA GLU A 21 9.060 -6.035 -13.576 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.561 -5.561 -15.850 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.218 -5.042 -15.615 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.360 -7.667 -16.881 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.895 -6.244 -17.754 1.00 0.00 H new ATOM 326 N ASP A 22 9.712 -9.017 -14.734 1.00 0.00 N ATOM 327 CA ASP A 22 9.187 -10.371 -14.874 1.00 0.00 C ATOM 328 C ASP A 22 8.689 -10.902 -13.533 1.00 0.00 C ATOM 329 O ASP A 22 7.742 -11.687 -13.478 1.00 0.00 O ATOM 330 CB ASP A 22 10.262 -11.301 -15.438 1.00 0.00 C ATOM 331 CG ASP A 22 10.466 -11.113 -16.929 1.00 0.00 C ATOM 332 OD1 ASP A 22 9.515 -10.672 -17.606 1.00 0.00 O ATOM 333 OD2 ASP A 22 11.577 -11.409 -17.418 1.00 0.00 O ATOM 0 H ASP A 22 10.716 -8.935 -14.895 1.00 0.00 H new ATOM 0 HA ASP A 22 8.346 -10.339 -15.566 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.204 -11.120 -14.920 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.983 -12.336 -15.240 1.00 0.00 H new ATOM 338 N ASP A 23 9.334 -10.470 -12.456 1.00 0.00 N ATOM 339 CA ASP A 23 8.957 -10.902 -11.115 1.00 0.00 C ATOM 340 C ASP A 23 7.891 -9.983 -10.527 1.00 0.00 C ATOM 341 O ASP A 23 7.374 -9.097 -11.210 1.00 0.00 O ATOM 342 CB ASP A 23 10.184 -10.930 -10.201 1.00 0.00 C ATOM 343 CG ASP A 23 11.271 -11.850 -10.720 1.00 0.00 C ATOM 344 OD1 ASP A 23 10.972 -12.687 -11.597 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.422 -11.734 -10.248 1.00 0.00 O ATOM 0 H ASP A 23 10.120 -9.821 -12.485 1.00 0.00 H new ATOM 0 HA ASP A 23 8.544 -11.908 -11.187 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.583 -9.920 -10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.884 -11.253 -9.204 1.00 0.00 H new ATOM 350 N THR A 24 7.564 -10.200 -9.257 1.00 0.00 N ATOM 351 CA THR A 24 6.558 -9.393 -8.578 1.00 0.00 C ATOM 352 C THR A 24 6.839 -9.308 -7.082 1.00 0.00 C ATOM 353 O THR A 24 7.707 -10.009 -6.563 1.00 0.00 O ATOM 354 CB THR A 24 5.143 -9.964 -8.792 1.00 0.00 C ATOM 355 OG1 THR A 24 5.209 -11.384 -8.965 1.00 0.00 O ATOM 356 CG2 THR A 24 4.481 -9.329 -10.005 1.00 0.00 C ATOM 0 H THR A 24 7.982 -10.928 -8.678 1.00 0.00 H new ATOM 0 HA THR A 24 6.608 -8.394 -9.011 1.00 0.00 H new ATOM 0 HB THR A 24 4.545 -9.734 -7.910 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.473 -11.678 -9.542 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.483 -9.748 -10.136 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.406 -8.252 -9.856 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.079 -9.532 -10.894 1.00 0.00 H new ATOM 364 N VAL A 25 6.099 -8.444 -6.394 1.00 0.00 N ATOM 365 CA VAL A 25 6.267 -8.269 -4.957 1.00 0.00 C ATOM 366 C VAL A 25 5.892 -9.538 -4.200 1.00 0.00 C ATOM 367 O VAL A 25 6.356 -9.768 -3.083 1.00 0.00 O ATOM 368 CB VAL A 25 5.414 -7.099 -4.430 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.502 -7.014 -2.914 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.851 -5.791 -5.072 1.00 0.00 C ATOM 0 H VAL A 25 5.377 -7.855 -6.809 1.00 0.00 H new ATOM 0 HA VAL A 25 7.320 -8.047 -4.787 1.00 0.00 H new ATOM 0 HB VAL A 25 4.373 -7.280 -4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.893 -6.182 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.137 -7.943 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.539 -6.856 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.238 -4.975 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.898 -5.601 -4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.730 -5.858 -6.153 1.00 0.00 H new ATOM 380 N LEU A 26 5.048 -10.359 -4.816 1.00 0.00 N ATOM 381 CA LEU A 26 4.610 -11.607 -4.201 1.00 0.00 C ATOM 382 C LEU A 26 5.801 -12.505 -3.883 1.00 0.00 C ATOM 383 O LEU A 26 5.816 -13.194 -2.862 1.00 0.00 O ATOM 384 CB LEU A 26 3.637 -12.340 -5.127 1.00 0.00 C ATOM 385 CG LEU A 26 4.244 -12.952 -6.389 1.00 0.00 C ATOM 386 CD1 LEU A 26 4.729 -14.368 -6.117 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.232 -12.943 -7.526 1.00 0.00 C ATOM 0 H LEU A 26 4.654 -10.183 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 26 4.102 -11.365 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.154 -13.135 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.855 -11.642 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 26 5.101 -12.347 -6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.158 -14.787 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.487 -14.349 -5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.890 -14.984 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.681 -13.382 -8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.356 -13.523 -7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.933 -11.917 -7.739 1.00 0.00 H new ATOM 399 N ASP A 27 6.798 -12.491 -4.761 1.00 0.00 N ATOM 400 CA ASP A 27 7.995 -13.301 -4.572 1.00 0.00 C ATOM 401 C ASP A 27 8.754 -12.867 -3.322 1.00 0.00 C ATOM 402 O ASP A 27 8.782 -13.582 -2.319 1.00 0.00 O ATOM 403 CB ASP A 27 8.905 -13.199 -5.797 1.00 0.00 C ATOM 404 CG ASP A 27 8.624 -14.283 -6.819 1.00 0.00 C ATOM 405 OD1 ASP A 27 8.830 -15.471 -6.496 1.00 0.00 O ATOM 406 OD2 ASP A 27 8.197 -13.942 -7.942 1.00 0.00 O ATOM 0 H ASP A 27 6.801 -11.927 -5.611 1.00 0.00 H new ATOM 0 HA ASP A 27 7.685 -14.338 -4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.774 -12.222 -6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.946 -13.264 -5.479 1.00 0.00 H new ATOM 411 N LEU A 28 9.368 -11.691 -3.388 1.00 0.00 N ATOM 412 CA LEU A 28 10.128 -11.160 -2.261 1.00 0.00 C ATOM 413 C LEU A 28 9.301 -11.197 -0.980 1.00 0.00 C ATOM 414 O LEU A 28 9.825 -11.451 0.104 1.00 0.00 O ATOM 415 CB LEU A 28 10.576 -9.727 -2.552 1.00 0.00 C ATOM 416 CG LEU A 28 9.502 -8.647 -2.414 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.487 -8.088 -1.000 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.730 -7.535 -3.427 1.00 0.00 C ATOM 0 H LEU A 28 9.355 -11.087 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 28 11.008 -11.787 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.398 -9.481 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.972 -9.690 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 28 8.531 -9.099 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.717 -7.321 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.274 -8.891 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.459 -7.651 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.956 -6.776 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.708 -7.084 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.689 -7.947 -4.435 1.00 0.00 H new ATOM 430 N LYS A 29 8.003 -10.943 -1.113 1.00 0.00 N ATOM 431 CA LYS A 29 7.101 -10.949 0.032 1.00 0.00 C ATOM 432 C LYS A 29 7.217 -12.257 0.809 1.00 0.00 C ATOM 433 O LYS A 29 7.473 -12.252 2.012 1.00 0.00 O ATOM 434 CB LYS A 29 5.656 -10.745 -0.430 1.00 0.00 C ATOM 435 CG LYS A 29 4.635 -10.882 0.686 1.00 0.00 C ATOM 436 CD LYS A 29 3.236 -10.532 0.208 1.00 0.00 C ATOM 437 CE LYS A 29 2.172 -11.242 1.031 1.00 0.00 C ATOM 438 NZ LYS A 29 1.837 -12.580 0.468 1.00 0.00 N ATOM 0 H LYS A 29 7.553 -10.730 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 29 7.385 -10.128 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.563 -9.755 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.427 -11.470 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.646 -11.903 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.911 -10.230 1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.088 -9.454 0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.129 -10.807 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.523 -11.357 2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.272 -10.628 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.108 -13.032 1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.478 -12.469 -0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.690 -13.175 0.455 1.00 0.00 H new ATOM 452 N GLN A 30 7.028 -13.373 0.112 1.00 0.00 N ATOM 453 CA GLN A 30 7.113 -14.687 0.738 1.00 0.00 C ATOM 454 C GLN A 30 8.479 -14.895 1.384 1.00 0.00 C ATOM 455 O GLN A 30 8.593 -15.547 2.422 1.00 0.00 O ATOM 456 CB GLN A 30 6.853 -15.785 -0.295 1.00 0.00 C ATOM 457 CG GLN A 30 5.378 -15.993 -0.603 1.00 0.00 C ATOM 458 CD GLN A 30 4.710 -16.952 0.363 1.00 0.00 C ATOM 459 OE1 GLN A 30 4.937 -18.161 0.311 1.00 0.00 O ATOM 460 NE2 GLN A 30 3.881 -16.416 1.251 1.00 0.00 N ATOM 0 H GLN A 30 6.815 -13.393 -0.885 1.00 0.00 H new ATOM 0 HA GLN A 30 6.351 -14.741 1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.377 -15.536 -1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.276 -16.722 0.068 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.864 -15.032 -0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.273 -16.374 -1.619 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.723 -15.408 1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.402 -17.012 1.927 1.00 0.00 H new ATOM 469 N PHE A 31 9.513 -14.336 0.765 1.00 0.00 N ATOM 470 CA PHE A 31 10.871 -14.461 1.279 1.00 0.00 C ATOM 471 C PHE A 31 11.017 -13.735 2.613 1.00 0.00 C ATOM 472 O PHE A 31 11.754 -14.175 3.496 1.00 0.00 O ATOM 473 CB PHE A 31 11.875 -13.901 0.269 1.00 0.00 C ATOM 474 CG PHE A 31 12.391 -14.930 -0.696 1.00 0.00 C ATOM 475 CD1 PHE A 31 11.552 -15.492 -1.644 1.00 0.00 C ATOM 476 CD2 PHE A 31 13.716 -15.334 -0.655 1.00 0.00 C ATOM 477 CE1 PHE A 31 12.024 -16.439 -2.533 1.00 0.00 C ATOM 478 CE2 PHE A 31 14.194 -16.281 -1.542 1.00 0.00 C ATOM 479 CZ PHE A 31 13.347 -16.833 -2.483 1.00 0.00 C ATOM 0 H PHE A 31 9.436 -13.792 -0.094 1.00 0.00 H new ATOM 0 HA PHE A 31 11.076 -15.520 1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.403 -13.094 -0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 31 12.716 -13.466 0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 31 10.517 -15.187 -1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 31 14.383 -14.904 0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.359 -16.871 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 31 15.228 -16.589 -1.499 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.718 -17.571 -3.178 1.00 0.00 H new ATOM 489 N LEU A 32 10.308 -12.620 2.753 1.00 0.00 N ATOM 490 CA LEU A 32 10.358 -11.831 3.979 1.00 0.00 C ATOM 491 C LEU A 32 9.660 -12.559 5.124 1.00 0.00 C ATOM 492 O LEU A 32 10.055 -12.437 6.284 1.00 0.00 O ATOM 493 CB LEU A 32 9.706 -10.465 3.757 1.00 0.00 C ATOM 494 CG LEU A 32 10.411 -9.539 2.765 1.00 0.00 C ATOM 495 CD1 LEU A 32 9.740 -8.174 2.739 1.00 0.00 C ATOM 496 CD2 LEU A 32 11.885 -9.404 3.116 1.00 0.00 C ATOM 0 H LEU A 32 9.692 -12.242 2.033 1.00 0.00 H new ATOM 0 HA LEU A 32 11.405 -11.688 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.684 -10.624 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.642 -9.954 4.718 1.00 0.00 H new ATOM 0 HG LEU A 32 10.334 -9.978 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.255 -7.529 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.698 -8.286 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.785 -7.728 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.370 -8.742 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.984 -8.989 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.359 -10.385 3.082 1.00 0.00 H new ATOM 508 N LYS A 33 8.622 -13.319 4.790 1.00 0.00 N ATOM 509 CA LYS A 33 7.871 -14.070 5.788 1.00 0.00 C ATOM 510 C LYS A 33 8.690 -15.244 6.316 1.00 0.00 C ATOM 511 O LYS A 33 8.592 -15.606 7.489 1.00 0.00 O ATOM 512 CB LYS A 33 6.557 -14.579 5.191 1.00 0.00 C ATOM 513 CG LYS A 33 5.746 -13.499 4.495 1.00 0.00 C ATOM 514 CD LYS A 33 4.759 -14.094 3.505 1.00 0.00 C ATOM 515 CE LYS A 33 3.403 -14.337 4.147 1.00 0.00 C ATOM 516 NZ LYS A 33 3.321 -15.684 4.777 1.00 0.00 N ATOM 0 H LYS A 33 8.282 -13.431 3.835 1.00 0.00 H new ATOM 0 HA LYS A 33 7.650 -13.401 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.776 -15.374 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.954 -15.020 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.208 -12.911 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.418 -12.817 3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.645 -13.421 2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.153 -15.034 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.215 -13.572 4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.622 -14.240 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.439 -16.151 4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.134 -16.259 4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.333 -15.584 5.812 1.00 0.00 H new ATOM 530 N THR A 34 9.500 -15.835 5.443 1.00 0.00 N ATOM 531 CA THR A 34 10.337 -16.966 5.821 1.00 0.00 C ATOM 532 C THR A 34 11.679 -16.498 6.371 1.00 0.00 C ATOM 533 O THR A 34 12.311 -17.193 7.168 1.00 0.00 O ATOM 534 CB THR A 34 10.584 -17.906 4.626 1.00 0.00 C ATOM 535 OG1 THR A 34 11.248 -17.197 3.574 1.00 0.00 O ATOM 536 CG2 THR A 34 9.274 -18.481 4.109 1.00 0.00 C ATOM 0 H THR A 34 9.594 -15.548 4.469 1.00 0.00 H new ATOM 0 HA THR A 34 9.800 -17.511 6.597 1.00 0.00 H new ATOM 0 HB THR A 34 11.215 -18.728 4.964 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.250 -16.238 3.776 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.474 -19.141 3.265 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.786 -19.045 4.904 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.622 -17.669 3.787 1.00 0.00 H new ATOM 544 N LEU A 35 12.110 -15.317 5.942 1.00 0.00 N ATOM 545 CA LEU A 35 13.378 -14.755 6.393 1.00 0.00 C ATOM 546 C LEU A 35 13.215 -14.052 7.737 1.00 0.00 C ATOM 547 O LEU A 35 14.014 -14.248 8.653 1.00 0.00 O ATOM 548 CB LEU A 35 13.921 -13.773 5.353 1.00 0.00 C ATOM 549 CG LEU A 35 15.212 -13.044 5.729 1.00 0.00 C ATOM 550 CD1 LEU A 35 16.422 -13.784 5.180 1.00 0.00 C ATOM 551 CD2 LEU A 35 15.184 -11.611 5.218 1.00 0.00 C ATOM 0 H LEU A 35 11.600 -14.730 5.282 1.00 0.00 H new ATOM 0 HA LEU A 35 14.087 -15.574 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.091 -14.316 4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.152 -13.028 5.150 1.00 0.00 H new ATOM 0 HG LEU A 35 15.289 -13.019 6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.331 -13.251 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 35 16.451 -14.792 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.352 -13.841 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.110 -11.108 5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.083 -11.614 4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.339 -11.084 5.660 1.00 0.00 H new ATOM 563 N THR A 36 12.174 -13.234 7.849 1.00 0.00 N ATOM 564 CA THR A 36 11.905 -12.503 9.080 1.00 0.00 C ATOM 565 C THR A 36 10.597 -12.960 9.717 1.00 0.00 C ATOM 566 O THR A 36 10.507 -13.110 10.935 1.00 0.00 O ATOM 567 CB THR A 36 11.838 -10.985 8.829 1.00 0.00 C ATOM 568 OG1 THR A 36 10.498 -10.602 8.497 1.00 0.00 O ATOM 569 CG2 THR A 36 12.779 -10.580 7.705 1.00 0.00 C ATOM 0 H THR A 36 11.503 -13.061 7.101 1.00 0.00 H new ATOM 0 HA THR A 36 12.730 -12.715 9.760 1.00 0.00 H new ATOM 0 HB THR A 36 12.146 -10.474 9.741 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.221 -11.059 7.675 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.714 -9.504 7.546 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.801 -10.846 7.973 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.497 -11.100 6.789 1.00 0.00 H new ATOM 577 N GLY A 37 9.584 -13.180 8.884 1.00 0.00 N ATOM 578 CA GLY A 37 8.295 -13.619 9.385 1.00 0.00 C ATOM 579 C GLY A 37 7.795 -12.761 10.530 1.00 0.00 C ATOM 580 O GLY A 37 7.038 -13.228 11.381 1.00 0.00 O ATOM 0 H GLY A 37 9.633 -13.062 7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.567 -13.597 8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.371 -14.654 9.717 1.00 0.00 H new ATOM 584 N VAL A 38 8.221 -11.502 10.554 1.00 0.00 N ATOM 585 CA VAL A 38 7.813 -10.577 11.605 1.00 0.00 C ATOM 586 C VAL A 38 7.037 -9.398 11.028 1.00 0.00 C ATOM 587 O VAL A 38 6.252 -8.756 11.727 1.00 0.00 O ATOM 588 CB VAL A 38 9.029 -10.043 12.386 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.029 -9.396 11.441 1.00 0.00 C ATOM 590 CG2 VAL A 38 8.583 -9.060 13.458 1.00 0.00 C ATOM 0 H VAL A 38 8.848 -11.099 9.858 1.00 0.00 H new ATOM 0 HA VAL A 38 7.169 -11.135 12.285 1.00 0.00 H new ATOM 0 HB VAL A 38 9.521 -10.883 12.877 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.881 -9.025 12.011 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.372 -10.132 10.714 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.552 -8.566 10.919 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.454 -8.693 14.000 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.066 -8.222 12.991 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.908 -9.560 14.152 1.00 0.00 H new ATOM 600 N LEU A 39 7.260 -9.119 9.748 1.00 0.00 N ATOM 601 CA LEU A 39 6.580 -8.017 9.076 1.00 0.00 C ATOM 602 C LEU A 39 5.074 -8.252 9.032 1.00 0.00 C ATOM 603 O LEU A 39 4.276 -7.395 9.413 1.00 0.00 O ATOM 604 CB LEU A 39 7.123 -7.849 7.655 1.00 0.00 C ATOM 605 CG LEU A 39 8.615 -8.129 7.469 1.00 0.00 C ATOM 606 CD1 LEU A 39 9.048 -7.792 6.051 1.00 0.00 C ATOM 607 CD2 LEU A 39 9.435 -7.342 8.480 1.00 0.00 C ATOM 0 H LEU A 39 7.906 -9.640 9.155 1.00 0.00 H new ATOM 0 HA LEU A 39 6.770 -7.105 9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.564 -8.511 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.922 -6.829 7.329 1.00 0.00 H new ATOM 0 HG LEU A 39 8.790 -9.192 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.112 -7.997 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.483 -8.400 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.859 -6.737 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.494 -7.553 8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.255 -6.276 8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.144 -7.632 9.490 1.00 0.00 H new ATOM 619 N PRO A 40 4.673 -9.442 8.560 1.00 0.00 N ATOM 620 CA PRO A 40 3.260 -9.818 8.458 1.00 0.00 C ATOM 621 C PRO A 40 2.618 -10.034 9.824 1.00 0.00 C ATOM 622 O PRO A 40 1.402 -10.188 9.931 1.00 0.00 O ATOM 623 CB PRO A 40 3.298 -11.130 7.671 1.00 0.00 C ATOM 624 CG PRO A 40 4.651 -11.693 7.938 1.00 0.00 C ATOM 625 CD PRO A 40 5.569 -10.511 8.089 1.00 0.00 C ATOM 0 HA PRO A 40 2.664 -9.038 7.984 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.514 -11.812 8.000 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.144 -10.957 6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.649 -12.303 8.841 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.974 -12.336 7.120 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.367 -10.711 8.804 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.046 -10.249 7.144 1.00 0.00 H new ATOM 633 N GLU A 41 3.444 -10.044 10.866 1.00 0.00 N ATOM 634 CA GLU A 41 2.955 -10.242 12.226 1.00 0.00 C ATOM 635 C GLU A 41 2.689 -8.904 12.909 1.00 0.00 C ATOM 636 O GLU A 41 1.539 -8.536 13.151 1.00 0.00 O ATOM 637 CB GLU A 41 3.964 -11.052 13.042 1.00 0.00 C ATOM 638 CG GLU A 41 4.183 -12.461 12.515 1.00 0.00 C ATOM 639 CD GLU A 41 3.015 -13.382 12.810 1.00 0.00 C ATOM 640 OE1 GLU A 41 2.844 -13.764 13.987 1.00 0.00 O ATOM 641 OE2 GLU A 41 2.272 -13.720 11.865 1.00 0.00 O ATOM 0 H GLU A 41 4.454 -9.917 10.795 1.00 0.00 H new ATOM 0 HA GLU A 41 2.017 -10.794 12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.918 -10.524 13.051 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.621 -11.109 14.075 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.346 -12.421 11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.088 -12.875 12.959 1.00 0.00 H new ATOM 648 N ARG A 42 3.760 -8.181 13.217 1.00 0.00 N ATOM 649 CA ARG A 42 3.644 -6.884 13.874 1.00 0.00 C ATOM 650 C ARG A 42 4.980 -6.149 13.866 1.00 0.00 C ATOM 651 O ARG A 42 6.005 -6.701 14.266 1.00 0.00 O ATOM 652 CB ARG A 42 3.154 -7.060 15.313 1.00 0.00 C ATOM 653 CG ARG A 42 3.987 -8.039 16.124 1.00 0.00 C ATOM 654 CD ARG A 42 3.377 -8.287 17.495 1.00 0.00 C ATOM 655 NE ARG A 42 3.145 -7.043 18.224 1.00 0.00 N ATOM 656 CZ ARG A 42 2.367 -6.954 19.297 1.00 0.00 C ATOM 657 NH1 ARG A 42 1.750 -8.031 19.763 1.00 0.00 N ATOM 658 NH2 ARG A 42 2.206 -5.786 19.906 1.00 0.00 N ATOM 0 H ARG A 42 4.718 -8.471 13.022 1.00 0.00 H new ATOM 0 HA ARG A 42 2.918 -6.288 13.321 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.160 -6.091 15.811 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.119 -7.403 15.296 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.069 -8.983 15.585 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.998 -7.649 16.240 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.434 -8.822 17.381 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.039 -8.929 18.076 1.00 0.00 H new ATOM 0 HE ARG A 42 3.606 -6.196 17.891 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.872 -8.930 19.297 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.153 -7.960 20.587 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.680 -4.956 19.550 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.608 -5.718 20.730 1.00 0.00 H new ATOM 672 N GLN A 43 4.961 -4.901 13.408 1.00 0.00 N ATOM 673 CA GLN A 43 6.172 -4.092 13.347 1.00 0.00 C ATOM 674 C GLN A 43 5.834 -2.624 13.105 1.00 0.00 C ATOM 675 O GLN A 43 4.664 -2.244 13.066 1.00 0.00 O ATOM 676 CB GLN A 43 7.097 -4.602 12.241 1.00 0.00 C ATOM 677 CG GLN A 43 6.737 -4.084 10.858 1.00 0.00 C ATOM 678 CD GLN A 43 5.245 -4.123 10.591 1.00 0.00 C ATOM 679 OE1 GLN A 43 4.610 -5.172 10.701 1.00 0.00 O ATOM 680 NE2 GLN A 43 4.677 -2.976 10.237 1.00 0.00 N ATOM 0 H GLN A 43 4.121 -4.429 13.074 1.00 0.00 H new ATOM 0 HA GLN A 43 6.683 -4.176 14.306 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.122 -4.311 12.473 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.070 -5.692 12.230 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.094 -3.060 10.753 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.253 -4.680 10.105 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.242 -2.130 10.158 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.676 -2.941 10.044 1.00 0.00 H new ATOM 689 N LYS A 44 6.866 -1.803 12.945 1.00 0.00 N ATOM 690 CA LYS A 44 6.680 -0.377 12.707 1.00 0.00 C ATOM 691 C LYS A 44 7.691 0.142 11.689 1.00 0.00 C ATOM 692 O LYS A 44 8.810 0.513 12.044 1.00 0.00 O ATOM 693 CB LYS A 44 6.815 0.402 14.017 1.00 0.00 C ATOM 694 CG LYS A 44 6.057 -0.221 15.176 1.00 0.00 C ATOM 695 CD LYS A 44 6.922 -1.208 15.942 1.00 0.00 C ATOM 696 CE LYS A 44 6.524 -1.278 17.408 1.00 0.00 C ATOM 697 NZ LYS A 44 5.448 -2.281 17.643 1.00 0.00 N ATOM 0 H LYS A 44 7.841 -2.101 12.976 1.00 0.00 H new ATOM 0 HA LYS A 44 5.678 -0.230 12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.870 0.473 14.280 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.455 1.419 13.864 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.714 0.563 15.851 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.169 -0.729 14.800 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.833 -2.197 15.492 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.969 -0.915 15.862 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.396 -1.534 18.009 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.185 -0.297 17.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.205 -2.299 18.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.606 -2.024 17.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.781 -3.222 17.350 1.00 0.00 H new ATOM 711 N LEU A 45 7.289 0.166 10.423 1.00 0.00 N ATOM 712 CA LEU A 45 8.160 0.640 9.353 1.00 0.00 C ATOM 713 C LEU A 45 7.687 1.991 8.824 1.00 0.00 C ATOM 714 O LEU A 45 6.588 2.445 9.146 1.00 0.00 O ATOM 715 CB LEU A 45 8.203 -0.379 8.213 1.00 0.00 C ATOM 716 CG LEU A 45 8.322 -1.846 8.629 1.00 0.00 C ATOM 717 CD1 LEU A 45 8.673 -2.714 7.430 1.00 0.00 C ATOM 718 CD2 LEU A 45 9.363 -2.006 9.728 1.00 0.00 C ATOM 0 H LEU A 45 6.366 -0.137 10.112 1.00 0.00 H new ATOM 0 HA LEU A 45 9.163 0.761 9.762 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.299 -0.264 7.615 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.046 -0.136 7.566 1.00 0.00 H new ATOM 0 HG LEU A 45 7.358 -2.173 9.019 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.754 -3.754 7.745 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.893 -2.623 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.624 -2.387 7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.434 -3.056 10.012 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.331 -1.662 9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.070 -1.415 10.596 1.00 0.00 H new ATOM 730 N LEU A 46 8.522 2.627 8.010 1.00 0.00 N ATOM 731 CA LEU A 46 8.188 3.925 7.435 1.00 0.00 C ATOM 732 C LEU A 46 6.999 3.811 6.487 1.00 0.00 C ATOM 733 O LEU A 46 5.896 4.257 6.801 1.00 0.00 O ATOM 734 CB LEU A 46 9.395 4.500 6.691 1.00 0.00 C ATOM 735 CG LEU A 46 10.366 5.333 7.528 1.00 0.00 C ATOM 736 CD1 LEU A 46 10.685 4.625 8.836 1.00 0.00 C ATOM 737 CD2 LEU A 46 11.640 5.613 6.746 1.00 0.00 C ATOM 0 H LEU A 46 9.435 2.265 7.733 1.00 0.00 H new ATOM 0 HA LEU A 46 7.916 4.597 8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.948 3.674 6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.030 5.119 5.871 1.00 0.00 H new ATOM 0 HG LEU A 46 9.891 6.286 7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.377 5.232 9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.766 4.477 9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.140 3.658 8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.319 6.207 7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.120 4.670 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.396 6.163 5.837 1.00 0.00 H new ATOM 749 N GLY A 47 7.230 3.208 5.324 1.00 0.00 N ATOM 750 CA GLY A 47 6.168 3.044 4.349 1.00 0.00 C ATOM 751 C GLY A 47 6.064 1.621 3.839 1.00 0.00 C ATOM 752 O GLY A 47 4.977 1.043 3.806 1.00 0.00 O ATOM 0 H GLY A 47 8.134 2.830 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.219 3.336 4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.343 3.716 3.509 1.00 0.00 H new ATOM 756 N LEU A 48 7.197 1.054 3.438 1.00 0.00 N ATOM 757 CA LEU A 48 7.229 -0.311 2.924 1.00 0.00 C ATOM 758 C LEU A 48 6.827 -1.309 4.005 1.00 0.00 C ATOM 759 O LEU A 48 7.453 -1.381 5.063 1.00 0.00 O ATOM 760 CB LEU A 48 8.626 -0.647 2.398 1.00 0.00 C ATOM 761 CG LEU A 48 8.794 -2.034 1.777 1.00 0.00 C ATOM 762 CD1 LEU A 48 9.015 -3.080 2.859 1.00 0.00 C ATOM 763 CD2 LEU A 48 7.582 -2.389 0.929 1.00 0.00 C ATOM 0 H LEU A 48 8.105 1.518 3.459 1.00 0.00 H new ATOM 0 HA LEU A 48 6.513 -0.381 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.900 0.099 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.335 -0.551 3.220 1.00 0.00 H new ATOM 0 HG LEU A 48 9.672 -2.018 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.132 -4.061 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.914 -2.835 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.157 -3.095 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.719 -3.379 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.688 -2.387 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.469 -1.655 0.131 1.00 0.00 H new ATOM 775 N LYS A 49 5.780 -2.080 3.731 1.00 0.00 N ATOM 776 CA LYS A 49 5.295 -3.077 4.678 1.00 0.00 C ATOM 777 C LYS A 49 4.798 -2.415 5.959 1.00 0.00 C ATOM 778 O LYS A 49 5.559 -2.231 6.910 1.00 0.00 O ATOM 779 CB LYS A 49 6.404 -4.080 5.006 1.00 0.00 C ATOM 780 CG LYS A 49 6.239 -5.419 4.308 1.00 0.00 C ATOM 781 CD LYS A 49 6.077 -5.249 2.807 1.00 0.00 C ATOM 782 CE LYS A 49 6.999 -6.182 2.037 1.00 0.00 C ATOM 783 NZ LYS A 49 6.788 -6.081 0.567 1.00 0.00 N ATOM 0 H LYS A 49 5.251 -2.033 2.860 1.00 0.00 H new ATOM 0 HA LYS A 49 4.461 -3.605 4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.366 -3.650 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.429 -4.242 6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.107 -6.046 4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.369 -5.936 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.042 -5.446 2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.290 -4.216 2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.036 -5.943 2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.827 -7.209 2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.804 -7.033 0.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.868 -5.635 0.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.545 -5.505 0.146 1.00 0.00 H new ATOM 797 N VAL A 50 3.517 -2.061 5.979 1.00 0.00 N ATOM 798 CA VAL A 50 2.918 -1.422 7.145 1.00 0.00 C ATOM 799 C VAL A 50 1.901 -2.340 7.812 1.00 0.00 C ATOM 800 O VAL A 50 1.527 -3.376 7.262 1.00 0.00 O ATOM 801 CB VAL A 50 2.228 -0.098 6.766 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.261 0.957 6.401 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.249 -0.316 5.622 1.00 0.00 C ATOM 0 H VAL A 50 2.874 -2.206 5.201 1.00 0.00 H new ATOM 0 HA VAL A 50 3.728 -1.214 7.844 1.00 0.00 H new ATOM 0 HB VAL A 50 1.668 0.260 7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.755 1.885 6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.919 1.132 7.252 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.851 0.610 5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.771 0.630 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.784 -0.698 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.490 -1.037 5.925 1.00 0.00 H new ATOM 813 N LYS A 51 1.454 -1.953 9.002 1.00 0.00 N ATOM 814 CA LYS A 51 0.478 -2.739 9.747 1.00 0.00 C ATOM 815 C LYS A 51 -0.940 -2.250 9.469 1.00 0.00 C ATOM 816 O LYS A 51 -1.193 -1.047 9.416 1.00 0.00 O ATOM 817 CB LYS A 51 0.770 -2.665 11.247 1.00 0.00 C ATOM 818 CG LYS A 51 -0.224 -3.436 12.099 1.00 0.00 C ATOM 819 CD LYS A 51 -0.131 -4.932 11.847 1.00 0.00 C ATOM 820 CE LYS A 51 -1.270 -5.682 12.521 1.00 0.00 C ATOM 821 NZ LYS A 51 -1.063 -7.157 12.481 1.00 0.00 N ATOM 0 H LYS A 51 1.753 -1.098 9.472 1.00 0.00 H new ATOM 0 HA LYS A 51 0.557 -3.776 9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.772 -3.052 11.433 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.769 -1.620 11.558 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.037 -3.231 13.153 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.235 -3.092 11.882 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.152 -5.123 10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.823 -5.306 12.219 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.357 -5.355 13.557 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.210 -5.434 12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.720 -7.618 13.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.240 -7.506 11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.084 -7.378 12.755 1.00 0.00 H new ATOM 835 N GLY A 52 -1.863 -3.191 9.294 1.00 0.00 N ATOM 836 CA GLY A 52 -3.244 -2.835 9.026 1.00 0.00 C ATOM 837 C GLY A 52 -3.517 -2.646 7.547 1.00 0.00 C ATOM 838 O GLY A 52 -4.625 -2.281 7.154 1.00 0.00 O ATOM 0 H GLY A 52 -1.679 -4.193 9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.899 -3.614 9.417 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.489 -1.916 9.558 1.00 0.00 H new ATOM 842 N LYS A 53 -2.504 -2.893 6.723 1.00 0.00 N ATOM 843 CA LYS A 53 -2.638 -2.747 5.279 1.00 0.00 C ATOM 844 C LYS A 53 -1.348 -3.146 4.569 1.00 0.00 C ATOM 845 O LYS A 53 -0.580 -2.302 4.106 1.00 0.00 O ATOM 846 CB LYS A 53 -3.004 -1.304 4.923 1.00 0.00 C ATOM 847 CG LYS A 53 -2.056 -0.274 5.511 1.00 0.00 C ATOM 848 CD LYS A 53 -2.741 1.069 5.704 1.00 0.00 C ATOM 849 CE LYS A 53 -2.879 1.819 4.388 1.00 0.00 C ATOM 850 NZ LYS A 53 -1.571 2.348 3.912 1.00 0.00 N ATOM 0 H LYS A 53 -1.580 -3.196 7.032 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.436 -3.411 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.015 -1.198 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.015 -1.097 5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.678 -0.631 6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.195 -0.153 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.727 0.916 6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.169 1.672 6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.298 1.154 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.581 2.644 4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.731 3.030 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.081 2.821 4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.986 1.563 3.561 1.00 0.00 H new ATOM 864 N PRO A 54 -1.104 -4.461 4.479 1.00 0.00 N ATOM 865 CA PRO A 54 0.092 -5.001 3.825 1.00 0.00 C ATOM 866 C PRO A 54 0.065 -4.803 2.313 1.00 0.00 C ATOM 867 O PRO A 54 -1.003 -4.719 1.708 1.00 0.00 O ATOM 868 CB PRO A 54 0.042 -6.492 4.170 1.00 0.00 C ATOM 869 CG PRO A 54 -1.400 -6.777 4.411 1.00 0.00 C ATOM 870 CD PRO A 54 -1.976 -5.523 5.008 1.00 0.00 C ATOM 0 HA PRO A 54 1.001 -4.502 4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.435 -7.100 3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.642 -6.715 5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.907 -7.035 3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.523 -7.623 5.087 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.014 -5.376 4.710 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.958 -5.552 6.097 1.00 0.00 H new ATOM 878 N ALA A 55 1.247 -4.731 1.710 1.00 0.00 N ATOM 879 CA ALA A 55 1.358 -4.546 0.268 1.00 0.00 C ATOM 880 C ALA A 55 0.547 -5.594 -0.485 1.00 0.00 C ATOM 881 O ALA A 55 0.014 -6.527 0.115 1.00 0.00 O ATOM 882 CB ALA A 55 2.818 -4.598 -0.159 1.00 0.00 C ATOM 0 H ALA A 55 2.141 -4.798 2.197 1.00 0.00 H new ATOM 0 HA ALA A 55 0.952 -3.565 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.887 -4.459 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.373 -3.807 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.241 -5.566 0.109 1.00 0.00 H new ATOM 888 N GLU A 56 0.456 -5.433 -1.801 1.00 0.00 N ATOM 889 CA GLU A 56 -0.293 -6.366 -2.634 1.00 0.00 C ATOM 890 C GLU A 56 0.628 -7.067 -3.629 1.00 0.00 C ATOM 891 O GLU A 56 1.675 -6.539 -4.000 1.00 0.00 O ATOM 892 CB GLU A 56 -1.408 -5.633 -3.384 1.00 0.00 C ATOM 893 CG GLU A 56 -2.482 -6.558 -3.932 1.00 0.00 C ATOM 894 CD GLU A 56 -3.807 -5.852 -4.143 1.00 0.00 C ATOM 895 OE1 GLU A 56 -3.807 -4.760 -4.749 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.844 -6.390 -3.701 1.00 0.00 O ATOM 0 H GLU A 56 0.891 -4.666 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.737 -7.119 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.871 -4.909 -2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.971 -5.069 -4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.145 -6.980 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.624 -7.392 -3.244 1.00 0.00 H new ATOM 903 N ASN A 57 0.229 -8.261 -4.056 1.00 0.00 N ATOM 904 CA ASN A 57 1.018 -9.035 -5.007 1.00 0.00 C ATOM 905 C ASN A 57 0.984 -8.395 -6.391 1.00 0.00 C ATOM 906 O ASN A 57 1.968 -8.437 -7.130 1.00 0.00 O ATOM 907 CB ASN A 57 0.496 -10.472 -5.084 1.00 0.00 C ATOM 908 CG ASN A 57 -0.988 -10.532 -5.387 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.400 -10.455 -6.545 1.00 0.00 O ATOM 910 ND2 ASN A 57 -1.800 -10.671 -4.345 1.00 0.00 N ATOM 0 H ASN A 57 -0.636 -8.713 -3.758 1.00 0.00 H new ATOM 0 HA ASN A 57 2.051 -9.048 -4.658 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.044 -11.014 -5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.692 -10.978 -4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.809 -10.718 -4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.415 -10.731 -3.403 1.00 0.00 H new ATOM 917 N ASP A 58 -0.155 -7.803 -6.735 1.00 0.00 N ATOM 918 CA ASP A 58 -0.317 -7.152 -8.030 1.00 0.00 C ATOM 919 C ASP A 58 0.807 -6.152 -8.280 1.00 0.00 C ATOM 920 O ASP A 58 1.167 -5.880 -9.426 1.00 0.00 O ATOM 921 CB ASP A 58 -1.671 -6.445 -8.103 1.00 0.00 C ATOM 922 CG ASP A 58 -1.799 -5.564 -9.330 1.00 0.00 C ATOM 923 OD1 ASP A 58 -2.136 -6.094 -10.409 1.00 0.00 O ATOM 924 OD2 ASP A 58 -1.563 -4.344 -9.211 1.00 0.00 O ATOM 0 H ASP A 58 -0.979 -7.761 -6.135 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.274 -7.920 -8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.467 -7.190 -8.110 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.810 -5.839 -7.208 1.00 0.00 H new ATOM 929 N VAL A 59 1.357 -5.605 -7.201 1.00 0.00 N ATOM 930 CA VAL A 59 2.441 -4.635 -7.303 1.00 0.00 C ATOM 931 C VAL A 59 3.669 -5.250 -7.963 1.00 0.00 C ATOM 932 O VAL A 59 4.112 -6.336 -7.586 1.00 0.00 O ATOM 933 CB VAL A 59 2.835 -4.087 -5.918 1.00 0.00 C ATOM 934 CG1 VAL A 59 3.971 -3.083 -6.045 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.632 -3.458 -5.232 1.00 0.00 C ATOM 0 H VAL A 59 1.070 -5.817 -6.246 1.00 0.00 H new ATOM 0 HA VAL A 59 2.075 -3.814 -7.920 1.00 0.00 H new ATOM 0 HB VAL A 59 3.182 -4.917 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.236 -2.707 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.838 -3.569 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.654 -2.253 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.929 -3.076 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.253 -2.638 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.851 -4.208 -5.107 1.00 0.00 H new ATOM 945 N LYS A 60 4.217 -4.550 -8.950 1.00 0.00 N ATOM 946 CA LYS A 60 5.397 -5.025 -9.663 1.00 0.00 C ATOM 947 C LYS A 60 6.291 -3.859 -10.074 1.00 0.00 C ATOM 948 O LYS A 60 5.890 -2.697 -9.991 1.00 0.00 O ATOM 949 CB LYS A 60 4.983 -5.824 -10.900 1.00 0.00 C ATOM 950 CG LYS A 60 3.890 -5.157 -11.718 1.00 0.00 C ATOM 951 CD LYS A 60 4.440 -4.565 -13.005 1.00 0.00 C ATOM 952 CE LYS A 60 4.207 -5.492 -14.188 1.00 0.00 C ATOM 953 NZ LYS A 60 4.064 -4.738 -15.464 1.00 0.00 N ATOM 0 H LYS A 60 3.862 -3.650 -9.275 1.00 0.00 H new ATOM 0 HA LYS A 60 5.960 -5.672 -8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.857 -5.976 -11.533 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.640 -6.810 -10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.115 -5.886 -11.954 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.420 -4.371 -11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.965 -3.603 -13.196 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.508 -4.377 -12.893 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.039 -6.191 -14.271 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.309 -6.084 -14.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.907 -5.405 -16.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.254 -4.089 -15.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.931 -4.192 -15.644 1.00 0.00 H new ATOM 967 N LEU A 61 7.502 -4.176 -10.517 1.00 0.00 N ATOM 968 CA LEU A 61 8.453 -3.154 -10.942 1.00 0.00 C ATOM 969 C LEU A 61 7.815 -2.202 -11.949 1.00 0.00 C ATOM 970 O LEU A 61 7.810 -0.988 -11.754 1.00 0.00 O ATOM 971 CB LEU A 61 9.693 -3.807 -11.556 1.00 0.00 C ATOM 972 CG LEU A 61 10.553 -2.910 -12.446 1.00 0.00 C ATOM 973 CD1 LEU A 61 11.058 -1.708 -11.663 1.00 0.00 C ATOM 974 CD2 LEU A 61 11.717 -3.696 -13.030 1.00 0.00 C ATOM 0 H LEU A 61 7.849 -5.132 -10.592 1.00 0.00 H new ATOM 0 HA LEU A 61 8.749 -2.580 -10.064 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.317 -4.187 -10.747 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.373 -4.668 -12.143 1.00 0.00 H new ATOM 0 HG LEU A 61 9.936 -2.549 -13.269 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.668 -1.081 -12.313 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.210 -1.131 -11.294 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.658 -2.049 -10.820 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.318 -3.041 -13.661 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.334 -4.087 -12.221 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.334 -4.524 -13.627 1.00 0.00 H new ATOM 986 N GLY A 62 7.275 -2.764 -13.027 1.00 0.00 N ATOM 987 CA GLY A 62 6.639 -1.951 -14.047 1.00 0.00 C ATOM 988 C GLY A 62 5.529 -1.083 -13.489 1.00 0.00 C ATOM 989 O GLY A 62 5.124 -0.103 -14.114 1.00 0.00 O ATOM 0 H GLY A 62 7.267 -3.767 -13.212 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.388 -1.317 -14.521 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.233 -2.600 -14.823 1.00 0.00 H new ATOM 993 N ALA A 63 5.035 -1.443 -12.309 1.00 0.00 N ATOM 994 CA ALA A 63 3.965 -0.690 -11.666 1.00 0.00 C ATOM 995 C ALA A 63 4.528 0.406 -10.767 1.00 0.00 C ATOM 996 O ALA A 63 3.833 1.365 -10.430 1.00 0.00 O ATOM 997 CB ALA A 63 3.069 -1.624 -10.866 1.00 0.00 C ATOM 0 H ALA A 63 5.359 -2.252 -11.779 1.00 0.00 H new ATOM 0 HA ALA A 63 3.370 -0.214 -12.446 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.275 -1.048 -10.391 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.630 -2.367 -11.532 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.659 -2.127 -10.100 1.00 0.00 H new ATOM 1003 N LEU A 64 5.791 0.257 -10.382 1.00 0.00 N ATOM 1004 CA LEU A 64 6.448 1.234 -9.520 1.00 0.00 C ATOM 1005 C LEU A 64 7.409 2.106 -10.321 1.00 0.00 C ATOM 1006 O LEU A 64 7.240 3.323 -10.403 1.00 0.00 O ATOM 1007 CB LEU A 64 7.202 0.525 -8.394 1.00 0.00 C ATOM 1008 CG LEU A 64 6.429 -0.565 -7.651 1.00 0.00 C ATOM 1009 CD1 LEU A 64 7.386 -1.577 -7.040 1.00 0.00 C ATOM 1010 CD2 LEU A 64 5.541 0.048 -6.577 1.00 0.00 C ATOM 0 H LEU A 64 6.380 -0.530 -10.653 1.00 0.00 H new ATOM 0 HA LEU A 64 5.680 1.875 -9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.105 0.081 -8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.521 1.274 -7.669 1.00 0.00 H new ATOM 0 HG LEU A 64 5.793 -1.084 -8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.817 -2.345 -6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.979 -2.040 -7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.049 -1.073 -6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.998 -0.743 -6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.158 0.594 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.830 0.733 -7.040 1.00 0.00 H new ATOM 1022 N LYS A 65 8.419 1.476 -10.912 1.00 0.00 N ATOM 1023 CA LYS A 65 9.406 2.193 -11.710 1.00 0.00 C ATOM 1024 C LYS A 65 10.117 3.252 -10.874 1.00 0.00 C ATOM 1025 O LYS A 65 10.417 4.343 -11.360 1.00 0.00 O ATOM 1026 CB LYS A 65 8.736 2.848 -12.920 1.00 0.00 C ATOM 1027 CG LYS A 65 8.514 1.895 -14.082 1.00 0.00 C ATOM 1028 CD LYS A 65 9.750 1.789 -14.960 1.00 0.00 C ATOM 1029 CE LYS A 65 9.937 3.035 -15.812 1.00 0.00 C ATOM 1030 NZ LYS A 65 10.952 2.828 -16.883 1.00 0.00 N ATOM 0 H LYS A 65 8.575 0.470 -10.853 1.00 0.00 H new ATOM 0 HA LYS A 65 10.147 1.473 -12.058 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.776 3.263 -12.613 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.351 3.682 -13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.252 0.908 -13.700 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.670 2.239 -14.680 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.630 1.639 -14.335 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.665 0.915 -15.606 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.984 3.313 -16.263 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.243 3.866 -15.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.050 3.700 -17.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.867 2.588 -16.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.648 2.051 -17.504 1.00 0.00 H new ATOM 1044 N LEU A 66 10.383 2.924 -9.615 1.00 0.00 N ATOM 1045 CA LEU A 66 11.060 3.847 -8.710 1.00 0.00 C ATOM 1046 C LEU A 66 12.528 3.466 -8.541 1.00 0.00 C ATOM 1047 O LEU A 66 12.957 2.397 -8.976 1.00 0.00 O ATOM 1048 CB LEU A 66 10.365 3.861 -7.348 1.00 0.00 C ATOM 1049 CG LEU A 66 9.297 4.937 -7.151 1.00 0.00 C ATOM 1050 CD1 LEU A 66 8.088 4.363 -6.427 1.00 0.00 C ATOM 1051 CD2 LEU A 66 9.867 6.120 -6.383 1.00 0.00 C ATOM 0 H LEU A 66 10.140 2.026 -9.197 1.00 0.00 H new ATOM 0 HA LEU A 66 11.010 4.845 -9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.904 2.886 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.124 3.986 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 66 8.976 5.287 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.338 5.143 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.665 3.548 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.394 3.986 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.093 6.876 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.216 5.785 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.701 6.547 -6.940 1.00 0.00 H new ATOM 1063 N LYS A 67 13.293 4.346 -7.904 1.00 0.00 N ATOM 1064 CA LYS A 67 14.711 4.102 -7.673 1.00 0.00 C ATOM 1065 C LYS A 67 14.979 3.802 -6.202 1.00 0.00 C ATOM 1066 O LYS A 67 14.260 4.254 -5.311 1.00 0.00 O ATOM 1067 CB LYS A 67 15.537 5.311 -8.117 1.00 0.00 C ATOM 1068 CG LYS A 67 15.210 6.584 -7.354 1.00 0.00 C ATOM 1069 CD LYS A 67 16.014 7.765 -7.870 1.00 0.00 C ATOM 1070 CE LYS A 67 15.348 8.407 -9.078 1.00 0.00 C ATOM 1071 NZ LYS A 67 14.156 9.211 -8.691 1.00 0.00 N ATOM 0 H LYS A 67 12.954 5.236 -7.538 1.00 0.00 H new ATOM 0 HA LYS A 67 15.005 3.233 -8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.596 5.083 -7.991 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.372 5.482 -9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.145 6.800 -7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.417 6.437 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.125 8.505 -7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.017 7.434 -8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.066 9.046 -9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.050 7.631 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.872 9.817 -9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.372 8.573 -8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.390 9.806 -7.870 1.00 0.00 H new ATOM 1085 N PRO A 68 16.039 3.023 -5.939 1.00 0.00 N ATOM 1086 CA PRO A 68 16.427 2.647 -4.576 1.00 0.00 C ATOM 1087 C PRO A 68 16.975 3.828 -3.783 1.00 0.00 C ATOM 1088 O PRO A 68 17.112 3.759 -2.563 1.00 0.00 O ATOM 1089 CB PRO A 68 17.519 1.597 -4.795 1.00 0.00 C ATOM 1090 CG PRO A 68 18.084 1.912 -6.137 1.00 0.00 C ATOM 1091 CD PRO A 68 16.940 2.449 -6.952 1.00 0.00 C ATOM 0 HA PRO A 68 15.578 2.285 -3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.284 1.654 -4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.109 0.587 -4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.887 2.646 -6.060 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.509 1.022 -6.600 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.274 3.202 -7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.451 1.662 -7.525 1.00 0.00 H new ATOM 1099 N ASN A 69 17.288 4.912 -4.486 1.00 0.00 N ATOM 1100 CA ASN A 69 17.822 6.110 -3.846 1.00 0.00 C ATOM 1101 C ASN A 69 16.938 6.545 -2.682 1.00 0.00 C ATOM 1102 O ASN A 69 17.420 7.105 -1.697 1.00 0.00 O ATOM 1103 CB ASN A 69 17.941 7.246 -4.864 1.00 0.00 C ATOM 1104 CG ASN A 69 19.219 7.163 -5.677 1.00 0.00 C ATOM 1105 OD1 ASN A 69 20.113 7.997 -5.535 1.00 0.00 O ATOM 1106 ND2 ASN A 69 19.309 6.154 -6.534 1.00 0.00 N ATOM 0 H ASN A 69 17.181 4.986 -5.498 1.00 0.00 H new ATOM 0 HA ASN A 69 18.813 5.874 -3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 69 17.084 7.219 -5.536 1.00 0.00 H new ATOM 0 HB3 ASN A 69 17.907 8.203 -4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 69 20.145 6.046 -7.109 1.00 0.00 H new ATOM 0 HD22 ASN A 69 18.543 5.486 -6.618 1.00 0.00 H new ATOM 1113 N THR A 70 15.640 6.283 -2.801 1.00 0.00 N ATOM 1114 CA THR A 70 14.688 6.647 -1.759 1.00 0.00 C ATOM 1115 C THR A 70 15.079 6.036 -0.419 1.00 0.00 C ATOM 1116 O THR A 70 14.973 6.681 0.624 1.00 0.00 O ATOM 1117 CB THR A 70 13.260 6.195 -2.120 1.00 0.00 C ATOM 1118 OG1 THR A 70 12.357 6.534 -1.063 1.00 0.00 O ATOM 1119 CG2 THR A 70 13.215 4.695 -2.371 1.00 0.00 C ATOM 0 H THR A 70 15.224 5.820 -3.609 1.00 0.00 H new ATOM 0 HA THR A 70 14.708 7.734 -1.679 1.00 0.00 H new ATOM 0 HB THR A 70 12.959 6.710 -3.033 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.007 5.714 -0.656 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.197 4.399 -2.624 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.882 4.444 -3.196 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.534 4.166 -1.473 1.00 0.00 H new ATOM 1127 N LYS A 71 15.532 4.787 -0.453 1.00 0.00 N ATOM 1128 CA LYS A 71 15.942 4.088 0.759 1.00 0.00 C ATOM 1129 C LYS A 71 14.760 3.904 1.706 1.00 0.00 C ATOM 1130 O LYS A 71 13.832 4.713 1.720 1.00 0.00 O ATOM 1131 CB LYS A 71 17.060 4.859 1.465 1.00 0.00 C ATOM 1132 CG LYS A 71 18.261 5.135 0.578 1.00 0.00 C ATOM 1133 CD LYS A 71 19.456 4.285 0.977 1.00 0.00 C ATOM 1134 CE LYS A 71 20.647 4.535 0.065 1.00 0.00 C ATOM 1135 NZ LYS A 71 21.728 3.532 0.277 1.00 0.00 N ATOM 0 H LYS A 71 15.624 4.238 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 71 16.313 3.104 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.663 5.806 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.386 4.293 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.001 4.934 -0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.527 6.190 0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.733 4.506 2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.183 3.231 0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.321 4.504 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 71 21.039 5.536 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.522 3.737 -0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.057 3.579 1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.361 2.579 0.080 1.00 0.00 H new ATOM 1149 N ILE A 72 14.803 2.837 2.497 1.00 0.00 N ATOM 1150 CA ILE A 72 13.737 2.550 3.449 1.00 0.00 C ATOM 1151 C ILE A 72 14.302 2.242 4.832 1.00 0.00 C ATOM 1152 O ILE A 72 15.388 1.676 4.957 1.00 0.00 O ATOM 1153 CB ILE A 72 12.872 1.363 2.985 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.754 1.093 3.993 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.733 0.123 2.796 1.00 0.00 C ATOM 1156 CD1 ILE A 72 12.120 0.066 5.042 1.00 0.00 C ATOM 0 H ILE A 72 15.564 2.158 2.497 1.00 0.00 H new ATOM 0 HA ILE A 72 13.115 3.443 3.504 1.00 0.00 H new ATOM 0 HB ILE A 72 12.418 1.616 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.489 2.027 4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.867 0.753 3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.108 -0.708 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.497 0.321 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.212 -0.135 3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.280 -0.075 5.722 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.357 -0.881 4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.988 0.413 5.604 1.00 0.00 H new ATOM 1168 N MET A 73 13.558 2.618 5.866 1.00 0.00 N ATOM 1169 CA MET A 73 13.984 2.379 7.240 1.00 0.00 C ATOM 1170 C MET A 73 12.971 1.511 7.980 1.00 0.00 C ATOM 1171 O MET A 73 11.764 1.728 7.881 1.00 0.00 O ATOM 1172 CB MET A 73 14.169 3.707 7.977 1.00 0.00 C ATOM 1173 CG MET A 73 14.925 4.750 7.170 1.00 0.00 C ATOM 1174 SD MET A 73 15.272 6.244 8.117 1.00 0.00 S ATOM 1175 CE MET A 73 17.050 6.359 7.930 1.00 0.00 C ATOM 0 H MET A 73 12.658 3.089 5.779 1.00 0.00 H new ATOM 0 HA MET A 73 14.937 1.851 7.212 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.190 4.105 8.243 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.703 3.524 8.910 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.863 4.321 6.818 1.00 0.00 H new ATOM 0 HG3 MET A 73 14.343 5.012 6.286 1.00 0.00 H new ATOM 0 HE1 MET A 73 17.416 7.237 8.462 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.518 5.464 8.341 1.00 0.00 H new ATOM 0 HE3 MET A 73 17.300 6.446 6.873 1.00 0.00 H new ATOM 1185 N MET A 74 13.472 0.527 8.721 1.00 0.00 N ATOM 1186 CA MET A 74 12.610 -0.373 9.478 1.00 0.00 C ATOM 1187 C MET A 74 12.839 -0.212 10.978 1.00 0.00 C ATOM 1188 O MET A 74 13.972 -0.040 11.427 1.00 0.00 O ATOM 1189 CB MET A 74 12.863 -1.824 9.065 1.00 0.00 C ATOM 1190 CG MET A 74 12.206 -2.205 7.748 1.00 0.00 C ATOM 1191 SD MET A 74 12.514 -3.921 7.289 1.00 0.00 S ATOM 1192 CE MET A 74 11.914 -4.774 8.745 1.00 0.00 C ATOM 0 H MET A 74 14.469 0.333 8.813 1.00 0.00 H new ATOM 0 HA MET A 74 11.574 -0.115 9.257 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.938 -1.989 8.986 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.496 -2.486 9.850 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.131 -2.040 7.822 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.576 -1.550 6.959 1.00 0.00 H new ATOM 0 HE1 MET A 74 11.635 -5.794 8.480 1.00 0.00 H new ATOM 0 HE2 MET A 74 12.698 -4.797 9.502 1.00 0.00 H new ATOM 0 HE3 MET A 74 11.043 -4.251 9.140 1.00 0.00 H new ATOM 1202 N MET A 75 11.756 -0.268 11.747 1.00 0.00 N ATOM 1203 CA MET A 75 11.840 -0.128 13.196 1.00 0.00 C ATOM 1204 C MET A 75 10.926 -1.131 13.892 1.00 0.00 C ATOM 1205 O MET A 75 9.837 -1.435 13.406 1.00 0.00 O ATOM 1206 CB MET A 75 11.469 1.295 13.615 1.00 0.00 C ATOM 1207 CG MET A 75 11.379 1.481 15.121 1.00 0.00 C ATOM 1208 SD MET A 75 11.522 3.208 15.618 1.00 0.00 S ATOM 1209 CE MET A 75 13.143 3.208 16.380 1.00 0.00 C ATOM 0 H MET A 75 10.811 -0.409 11.391 1.00 0.00 H new ATOM 0 HA MET A 75 12.868 -0.330 13.497 1.00 0.00 H new ATOM 0 HB2 MET A 75 12.210 1.987 13.215 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.511 1.559 13.167 1.00 0.00 H new ATOM 0 HG2 MET A 75 10.429 1.082 15.476 1.00 0.00 H new ATOM 0 HG3 MET A 75 12.167 0.902 15.602 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.376 4.210 16.739 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.151 2.511 17.218 1.00 0.00 H new ATOM 0 HE3 MET A 75 13.890 2.902 15.647 1.00 0.00 H new ATOM 1219 N GLY A 76 11.376 -1.643 15.034 1.00 0.00 N ATOM 1220 CA GLY A 76 10.586 -2.606 15.778 1.00 0.00 C ATOM 1221 C GLY A 76 10.300 -3.862 14.979 1.00 0.00 C ATOM 1222 O GLY A 76 9.189 -4.053 14.484 1.00 0.00 O ATOM 0 H GLY A 76 12.274 -1.408 15.457 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.113 -2.874 16.694 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.644 -2.146 16.076 1.00 0.00 H new ATOM 1226 N THR A 77 11.306 -4.722 14.850 1.00 0.00 N ATOM 1227 CA THR A 77 11.158 -5.964 14.103 1.00 0.00 C ATOM 1228 C THR A 77 11.739 -7.143 14.876 1.00 0.00 C ATOM 1229 O THR A 77 12.180 -6.993 16.016 1.00 0.00 O ATOM 1230 CB THR A 77 11.846 -5.878 12.728 1.00 0.00 C ATOM 1231 OG1 THR A 77 13.250 -5.647 12.895 1.00 0.00 O ATOM 1232 CG2 THR A 77 11.241 -4.763 11.889 1.00 0.00 C ATOM 0 H THR A 77 12.232 -4.580 15.254 1.00 0.00 H new ATOM 0 HA THR A 77 10.089 -6.119 13.957 1.00 0.00 H new ATOM 0 HB THR A 77 11.693 -6.825 12.211 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.680 -5.595 12.016 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.743 -4.722 10.922 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.179 -4.956 11.738 1.00 0.00 H new ATOM 0 HG23 THR A 77 11.367 -3.811 12.404 1.00 0.00 H new ATOM 1240 N ARG A 78 11.737 -8.315 14.249 1.00 0.00 N ATOM 1241 CA ARG A 78 12.264 -9.519 14.879 1.00 0.00 C ATOM 1242 C ARG A 78 12.760 -10.509 13.829 1.00 0.00 C ATOM 1243 O ARG A 78 11.966 -11.187 13.178 1.00 0.00 O ATOM 1244 CB ARG A 78 11.190 -10.177 15.748 1.00 0.00 C ATOM 1245 CG ARG A 78 11.755 -11.063 16.847 1.00 0.00 C ATOM 1246 CD ARG A 78 12.183 -12.418 16.305 1.00 0.00 C ATOM 1247 NE ARG A 78 12.622 -13.318 17.368 1.00 0.00 N ATOM 1248 CZ ARG A 78 13.772 -13.182 18.018 1.00 0.00 C ATOM 1249 NH1 ARG A 78 14.595 -12.187 17.715 1.00 0.00 N ATOM 1250 NH2 ARG A 78 14.102 -14.042 18.973 1.00 0.00 N ATOM 0 H ARG A 78 11.376 -8.456 13.305 1.00 0.00 H new ATOM 0 HA ARG A 78 13.106 -9.231 15.509 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.574 -9.400 16.200 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.535 -10.773 15.113 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.609 -10.569 17.311 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.005 -11.202 17.626 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.352 -12.872 15.766 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.992 -12.282 15.587 1.00 0.00 H new ATOM 0 HE ARG A 78 12.012 -14.094 17.625 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.345 -11.524 16.981 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.478 -12.085 18.216 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.472 -14.809 19.209 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.986 -13.936 19.471 1.00 0.00 H new ATOM 1264 N GLU A 79 14.078 -10.586 13.672 1.00 0.00 N ATOM 1265 CA GLU A 79 14.679 -11.492 12.700 1.00 0.00 C ATOM 1266 C GLU A 79 15.251 -12.727 13.389 1.00 0.00 C ATOM 1267 O GLU A 79 15.880 -12.627 14.442 1.00 0.00 O ATOM 1268 CB GLU A 79 15.781 -10.776 11.916 1.00 0.00 C ATOM 1269 CG GLU A 79 16.186 -11.496 10.641 1.00 0.00 C ATOM 1270 CD GLU A 79 17.584 -11.129 10.183 1.00 0.00 C ATOM 1271 OE1 GLU A 79 18.356 -10.592 11.004 1.00 0.00 O ATOM 1272 OE2 GLU A 79 17.907 -11.381 9.003 1.00 0.00 O ATOM 0 H GLU A 79 14.749 -10.033 14.205 1.00 0.00 H new ATOM 0 HA GLU A 79 13.899 -11.811 12.008 1.00 0.00 H new ATOM 0 HB2 GLU A 79 15.442 -9.771 11.664 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.657 -10.666 12.555 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.132 -12.573 10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.474 -11.256 9.851 1.00 0.00 H new ATOM 1279 N GLU A 80 15.026 -13.891 12.787 1.00 0.00 N ATOM 1280 CA GLU A 80 15.518 -15.146 13.344 1.00 0.00 C ATOM 1281 C GLU A 80 16.562 -15.776 12.427 1.00 0.00 C ATOM 1282 O GLU A 80 16.435 -16.933 12.027 1.00 0.00 O ATOM 1283 CB GLU A 80 14.359 -16.121 13.562 1.00 0.00 C ATOM 1284 CG GLU A 80 13.514 -16.349 12.321 1.00 0.00 C ATOM 1285 CD GLU A 80 12.555 -17.513 12.473 1.00 0.00 C ATOM 1286 OE1 GLU A 80 11.602 -17.397 13.273 1.00 0.00 O ATOM 1287 OE2 GLU A 80 12.757 -18.541 11.793 1.00 0.00 O ATOM 0 H GLU A 80 14.507 -13.991 11.915 1.00 0.00 H new ATOM 0 HA GLU A 80 15.987 -14.929 14.304 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.758 -17.077 13.900 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.722 -15.742 14.361 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.948 -15.444 12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.169 -16.532 11.469 1.00 0.00 H new ATOM 1294 N SER A 81 17.594 -15.005 12.097 1.00 0.00 N ATOM 1295 CA SER A 81 18.658 -15.486 11.224 1.00 0.00 C ATOM 1296 C SER A 81 19.435 -16.619 11.887 1.00 0.00 C ATOM 1297 O SER A 81 20.243 -16.388 12.785 1.00 0.00 O ATOM 1298 CB SER A 81 19.609 -14.341 10.866 1.00 0.00 C ATOM 1299 OG SER A 81 20.630 -14.782 9.988 1.00 0.00 O ATOM 0 H SER A 81 17.715 -14.045 12.421 1.00 0.00 H new ATOM 0 HA SER A 81 18.201 -15.868 10.312 1.00 0.00 H new ATOM 0 HB2 SER A 81 19.049 -13.531 10.399 1.00 0.00 H new ATOM 0 HB3 SER A 81 20.056 -13.937 11.775 1.00 0.00 H new ATOM 0 HG SER A 81 21.223 -14.032 9.773 1.00 0.00 H new TER 1305 SER A 81