USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= -0.186 (180deg=-0.947) USER MOD Single : A 25 THR OG1 : rot 69:sc= 0.841 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -133:sc= -2.82! (180deg=-5.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= -9.69! (180deg=-9.96!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 48 ASN : amide:sc= -11.4! C(o=-11!,f=-13!) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.977 F(o=-1.7,f=-0.98) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.193) USER MOD Single : A 56 THR OG1 : rot 58:sc= 1.09 USER MOD Single : A 57 SER OG : rot -47:sc= 0.857 USER MOD Single : A 58 THR OG1 : rot 121:sc= 0.936 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.275 K(o=-0.27,f=-1.9) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 0.479 20.250 -6.426 1.00 0.00 N ATOM 2 CA LYS A 21 -0.081 18.891 -6.129 1.00 0.00 C ATOM 3 C LYS A 21 -0.401 18.265 -7.474 1.00 0.00 C ATOM 4 O LYS A 21 -0.351 17.074 -7.674 1.00 0.00 O ATOM 5 CB LYS A 21 -1.369 19.006 -5.267 1.00 0.00 C ATOM 6 CG LYS A 21 -1.081 18.647 -3.788 1.00 0.00 C ATOM 7 CD LYS A 21 -1.338 17.154 -3.544 1.00 0.00 C ATOM 8 CE LYS A 21 -1.092 16.827 -2.070 1.00 0.00 C ATOM 9 NZ LYS A 21 -1.902 17.742 -1.217 1.00 0.00 N ATOM 0 HA LYS A 21 0.629 18.286 -5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.763 20.021 -5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.137 18.341 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.047 18.890 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.714 19.244 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.362 16.901 -3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.682 16.554 -4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.360 15.790 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.033 16.935 -1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.011 17.328 -0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.421 18.661 -1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.840 17.877 -1.646 1.00 0.00 H new ATOM 23 N LEU A 22 -0.712 19.113 -8.380 1.00 0.00 N ATOM 24 CA LEU A 22 -1.051 18.729 -9.766 1.00 0.00 C ATOM 25 C LEU A 22 -0.092 17.662 -10.320 1.00 0.00 C ATOM 26 O LEU A 22 -0.499 16.568 -10.657 1.00 0.00 O ATOM 27 CB LEU A 22 -0.893 20.024 -10.554 1.00 0.00 C ATOM 28 CG LEU A 22 -0.784 19.779 -12.060 1.00 0.00 C ATOM 29 CD1 LEU A 22 -1.972 18.942 -12.546 1.00 0.00 C ATOM 30 CD2 LEU A 22 -0.790 21.125 -12.787 1.00 0.00 C ATOM 0 H LEU A 22 -0.749 20.119 -8.213 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.049 18.295 -9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.745 20.674 -10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.003 20.550 -10.209 1.00 0.00 H new ATOM 0 HG LEU A 22 0.141 19.242 -12.269 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.884 18.774 -13.619 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.978 17.983 -12.028 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.901 19.473 -12.337 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.713 20.959 -13.861 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.718 21.653 -12.568 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.056 21.724 -12.451 1.00 0.00 H new ATOM 42 N LEU A 23 1.172 17.978 -10.444 1.00 0.00 N ATOM 43 CA LEU A 23 2.138 16.997 -11.004 1.00 0.00 C ATOM 44 C LEU A 23 2.622 16.128 -9.879 1.00 0.00 C ATOM 45 O LEU A 23 2.827 14.941 -10.022 1.00 0.00 O ATOM 46 CB LEU A 23 3.303 17.759 -11.644 1.00 0.00 C ATOM 47 CG LEU A 23 4.272 16.787 -12.373 1.00 0.00 C ATOM 48 CD1 LEU A 23 4.791 17.433 -13.663 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.476 16.462 -11.473 1.00 0.00 C ATOM 0 H LEU A 23 1.574 18.877 -10.179 1.00 0.00 H new ATOM 0 HA LEU A 23 1.672 16.374 -11.767 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.917 18.492 -12.352 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.846 18.312 -10.877 1.00 0.00 H new ATOM 0 HG LEU A 23 3.727 15.872 -12.606 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.469 16.745 -14.167 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.951 17.661 -14.319 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.322 18.354 -13.421 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.147 15.780 -11.995 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.009 17.382 -11.232 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.127 15.993 -10.553 1.00 0.00 H new ATOM 61 N ILE A 24 2.777 16.714 -8.745 1.00 0.00 N ATOM 62 CA ILE A 24 3.224 15.942 -7.577 1.00 0.00 C ATOM 63 C ILE A 24 2.197 14.825 -7.382 1.00 0.00 C ATOM 64 O ILE A 24 2.424 13.855 -6.688 1.00 0.00 O ATOM 65 CB ILE A 24 3.296 16.872 -6.342 1.00 0.00 C ATOM 66 CG1 ILE A 24 3.483 18.366 -6.798 1.00 0.00 C ATOM 67 CG2 ILE A 24 4.456 16.421 -5.435 1.00 0.00 C ATOM 68 CD1 ILE A 24 4.376 19.139 -5.812 1.00 0.00 C ATOM 0 H ILE A 24 2.612 17.706 -8.574 1.00 0.00 H new ATOM 0 HA ILE A 24 4.218 15.518 -7.717 1.00 0.00 H new ATOM 0 HB ILE A 24 2.365 16.809 -5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.927 18.393 -7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.510 18.852 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.511 17.073 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.286 15.395 -5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.393 16.476 -5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.488 20.168 -6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.917 19.132 -4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.356 18.665 -5.761 1.00 0.00 H new ATOM 80 N THR A 25 1.063 14.970 -8.028 1.00 0.00 N ATOM 81 CA THR A 25 -0.011 13.936 -7.936 1.00 0.00 C ATOM 82 C THR A 25 0.028 13.049 -9.186 1.00 0.00 C ATOM 83 O THR A 25 -0.039 11.840 -9.094 1.00 0.00 O ATOM 84 CB THR A 25 -1.376 14.625 -7.853 1.00 0.00 C ATOM 85 OG1 THR A 25 -1.482 15.317 -6.617 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.491 13.581 -7.945 1.00 0.00 C ATOM 0 H THR A 25 0.837 15.769 -8.620 1.00 0.00 H new ATOM 0 HA THR A 25 0.148 13.326 -7.046 1.00 0.00 H new ATOM 0 HB THR A 25 -1.472 15.330 -8.679 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.868 16.081 -6.616 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.460 14.077 -7.885 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.414 13.049 -8.893 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.395 12.873 -7.122 1.00 0.00 H new ATOM 94 N ILE A 26 0.131 13.633 -10.356 1.00 0.00 N ATOM 95 CA ILE A 26 0.163 12.801 -11.598 1.00 0.00 C ATOM 96 C ILE A 26 1.433 11.988 -11.624 1.00 0.00 C ATOM 97 O ILE A 26 1.440 10.784 -11.792 1.00 0.00 O ATOM 98 CB ILE A 26 0.150 13.719 -12.826 1.00 0.00 C ATOM 99 CG1 ILE A 26 -1.254 14.356 -12.980 1.00 0.00 C ATOM 100 CG2 ILE A 26 0.489 12.910 -14.092 1.00 0.00 C ATOM 101 CD1 ILE A 26 -1.130 15.749 -13.605 1.00 0.00 C ATOM 0 H ILE A 26 0.194 14.640 -10.503 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.705 12.142 -11.611 1.00 0.00 H new ATOM 0 HB ILE A 26 0.895 14.503 -12.693 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.884 13.722 -13.605 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.739 14.427 -12.007 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.477 13.570 -14.959 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.479 12.467 -13.986 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.250 12.120 -14.227 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.121 16.190 -13.710 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.517 16.382 -12.964 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.663 15.667 -14.587 1.00 0.00 H new ATOM 113 N HIS A 27 2.501 12.670 -11.479 1.00 0.00 N ATOM 114 CA HIS A 27 3.826 12.025 -11.506 1.00 0.00 C ATOM 115 C HIS A 27 3.833 10.832 -10.541 1.00 0.00 C ATOM 116 O HIS A 27 4.720 10.003 -10.571 1.00 0.00 O ATOM 117 CB HIS A 27 4.864 13.084 -11.117 1.00 0.00 C ATOM 118 CG HIS A 27 6.136 12.870 -11.882 1.00 0.00 C ATOM 119 ND1 HIS A 27 7.312 12.437 -11.292 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.416 13.032 -13.212 1.00 0.00 C ATOM 121 CE1 HIS A 27 8.242 12.353 -12.262 1.00 0.00 C ATOM 122 NE2 HIS A 27 7.747 12.706 -13.454 1.00 0.00 N ATOM 0 H HIS A 27 2.522 13.680 -11.338 1.00 0.00 H new ATOM 0 HA HIS A 27 4.065 11.639 -12.497 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.472 14.080 -11.321 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.062 13.033 -10.046 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.711 13.363 -13.960 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.262 12.039 -12.098 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.239 12.731 -14.347 1.00 0.00 H new ATOM 130 N ASP A 28 2.828 10.735 -9.704 1.00 0.00 N ATOM 131 CA ASP A 28 2.726 9.590 -8.742 1.00 0.00 C ATOM 132 C ASP A 28 1.459 8.800 -9.073 1.00 0.00 C ATOM 133 O ASP A 28 1.388 7.602 -8.885 1.00 0.00 O ATOM 134 CB ASP A 28 2.628 10.126 -7.313 1.00 0.00 C ATOM 135 CG ASP A 28 3.963 10.756 -6.910 1.00 0.00 C ATOM 136 OD1 ASP A 28 4.839 10.833 -7.756 1.00 0.00 O ATOM 137 OD2 ASP A 28 4.086 11.151 -5.762 1.00 0.00 O ATOM 0 H ASP A 28 2.064 11.409 -9.645 1.00 0.00 H new ATOM 0 HA ASP A 28 3.606 8.952 -8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.830 10.865 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.374 9.318 -6.627 1.00 0.00 H new ATOM 142 N ARG A 29 0.463 9.475 -9.579 1.00 0.00 N ATOM 143 CA ARG A 29 -0.810 8.793 -9.945 1.00 0.00 C ATOM 144 C ARG A 29 -0.503 7.597 -10.844 1.00 0.00 C ATOM 145 O ARG A 29 -1.205 6.606 -10.846 1.00 0.00 O ATOM 146 CB ARG A 29 -1.683 9.775 -10.727 1.00 0.00 C ATOM 147 CG ARG A 29 -3.081 9.191 -10.976 1.00 0.00 C ATOM 148 CD ARG A 29 -3.989 9.449 -9.767 1.00 0.00 C ATOM 149 NE ARG A 29 -5.368 8.978 -10.076 1.00 0.00 N ATOM 150 CZ ARG A 29 -6.235 8.818 -9.114 1.00 0.00 C ATOM 151 NH1 ARG A 29 -5.894 9.071 -7.880 1.00 0.00 N ATOM 152 NH2 ARG A 29 -7.443 8.407 -9.385 1.00 0.00 N ATOM 0 H ARG A 29 0.478 10.479 -9.756 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.322 8.458 -9.043 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.769 10.710 -10.174 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.208 10.010 -11.680 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.516 9.640 -11.869 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.007 8.119 -11.162 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.603 8.929 -8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.001 10.512 -9.527 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.635 8.780 -11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.950 9.394 -7.668 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.572 8.946 -7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.710 8.210 -10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.120 8.282 -8.632 1.00 0.00 H new ATOM 166 N LYS A 30 0.534 7.702 -11.624 1.00 0.00 N ATOM 167 CA LYS A 30 0.893 6.594 -12.552 1.00 0.00 C ATOM 168 C LYS A 30 0.827 5.256 -11.811 1.00 0.00 C ATOM 169 O LYS A 30 0.288 4.289 -12.311 1.00 0.00 O ATOM 170 CB LYS A 30 2.306 6.827 -13.109 1.00 0.00 C ATOM 171 CG LYS A 30 3.192 7.440 -12.022 1.00 0.00 C ATOM 172 CD LYS A 30 4.660 7.369 -12.456 1.00 0.00 C ATOM 173 CE LYS A 30 4.841 8.066 -13.808 1.00 0.00 C ATOM 174 NZ LYS A 30 4.432 7.140 -14.903 1.00 0.00 N ATOM 0 H LYS A 30 1.153 8.512 -11.660 1.00 0.00 H new ATOM 0 HA LYS A 30 0.186 6.570 -13.381 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.733 5.884 -13.451 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.262 7.490 -13.973 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.904 8.476 -11.845 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.054 6.906 -11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.293 7.843 -11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.976 6.328 -12.529 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.241 8.976 -13.843 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.881 8.364 -13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.156 7.144 -15.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.331 6.177 -14.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.523 7.453 -15.301 1.00 0.00 H new ATOM 188 N GLU A 31 1.354 5.192 -10.620 1.00 0.00 N ATOM 189 CA GLU A 31 1.294 3.913 -9.864 1.00 0.00 C ATOM 190 C GLU A 31 -0.171 3.605 -9.553 1.00 0.00 C ATOM 191 O GLU A 31 -0.674 2.538 -9.838 1.00 0.00 O ATOM 192 CB GLU A 31 2.074 4.037 -8.552 1.00 0.00 C ATOM 193 CG GLU A 31 3.352 4.849 -8.775 1.00 0.00 C ATOM 194 CD GLU A 31 4.145 4.252 -9.940 1.00 0.00 C ATOM 195 OE1 GLU A 31 4.048 3.053 -10.144 1.00 0.00 O ATOM 196 OE2 GLU A 31 4.838 5.004 -10.606 1.00 0.00 O ATOM 0 H GLU A 31 1.820 5.963 -10.142 1.00 0.00 H new ATOM 0 HA GLU A 31 1.735 3.114 -10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.455 4.519 -7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.325 3.046 -8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.102 5.888 -8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.959 4.846 -7.870 1.00 0.00 H new ATOM 203 N PHE A 32 -0.859 4.551 -8.974 1.00 0.00 N ATOM 204 CA PHE A 32 -2.280 4.350 -8.646 1.00 0.00 C ATOM 205 C PHE A 32 -3.035 4.079 -9.942 1.00 0.00 C ATOM 206 O PHE A 32 -4.067 3.440 -9.964 1.00 0.00 O ATOM 207 CB PHE A 32 -2.788 5.635 -7.978 1.00 0.00 C ATOM 208 CG PHE A 32 -2.675 5.527 -6.469 1.00 0.00 C ATOM 209 CD1 PHE A 32 -3.456 4.594 -5.777 1.00 0.00 C ATOM 210 CD2 PHE A 32 -1.792 6.358 -5.765 1.00 0.00 C ATOM 211 CE1 PHE A 32 -3.356 4.490 -4.384 1.00 0.00 C ATOM 212 CE2 PHE A 32 -1.692 6.255 -4.372 1.00 0.00 C ATOM 213 CZ PHE A 32 -2.474 5.320 -3.682 1.00 0.00 C ATOM 0 H PHE A 32 -0.483 5.463 -8.715 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.427 3.507 -7.971 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.211 6.489 -8.332 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.826 5.813 -8.260 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.137 3.953 -6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.188 7.078 -6.297 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.959 3.770 -3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.012 6.896 -3.830 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.396 5.239 -2.608 1.00 0.00 H new ATOM 223 N ALA A 33 -2.505 4.564 -11.017 1.00 0.00 N ATOM 224 CA ALA A 33 -3.152 4.354 -12.340 1.00 0.00 C ATOM 225 C ALA A 33 -2.730 2.994 -12.899 1.00 0.00 C ATOM 226 O ALA A 33 -3.456 2.378 -13.647 1.00 0.00 O ATOM 227 CB ALA A 33 -2.720 5.463 -13.303 1.00 0.00 C ATOM 0 H ALA A 33 -1.640 5.105 -11.042 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.236 4.380 -12.225 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.194 5.309 -14.272 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.021 6.431 -12.902 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.637 5.440 -13.422 1.00 0.00 H new ATOM 233 N LYS A 34 -1.556 2.520 -12.558 1.00 0.00 N ATOM 234 CA LYS A 34 -1.109 1.192 -13.088 1.00 0.00 C ATOM 235 C LYS A 34 -1.604 0.062 -12.170 1.00 0.00 C ATOM 236 O LYS A 34 -2.123 -0.937 -12.627 1.00 0.00 O ATOM 237 CB LYS A 34 0.434 1.177 -13.226 1.00 0.00 C ATOM 238 CG LYS A 34 1.117 0.639 -11.959 1.00 0.00 C ATOM 239 CD LYS A 34 2.627 0.893 -12.042 1.00 0.00 C ATOM 240 CE LYS A 34 3.227 0.107 -13.211 1.00 0.00 C ATOM 241 NZ LYS A 34 4.697 -0.033 -13.009 1.00 0.00 N ATOM 0 H LYS A 34 -0.893 2.990 -11.941 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.540 1.029 -14.076 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.716 0.561 -14.080 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.790 2.187 -13.430 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.704 1.127 -11.076 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.923 -0.428 -11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.818 1.958 -12.173 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.106 0.596 -11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.763 -0.877 -13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.025 0.620 -14.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.107 -0.567 -13.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.133 0.910 -12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.878 -0.540 -12.120 1.00 0.00 H new ATOM 255 N PHE A 35 -1.429 0.202 -10.881 1.00 0.00 N ATOM 256 CA PHE A 35 -1.873 -0.876 -9.947 1.00 0.00 C ATOM 257 C PHE A 35 -3.376 -1.100 -10.077 1.00 0.00 C ATOM 258 O PHE A 35 -3.919 -2.061 -9.572 1.00 0.00 O ATOM 259 CB PHE A 35 -1.524 -0.487 -8.502 1.00 0.00 C ATOM 260 CG PHE A 35 -0.057 -0.755 -8.240 1.00 0.00 C ATOM 261 CD1 PHE A 35 0.425 -2.069 -8.260 1.00 0.00 C ATOM 262 CD2 PHE A 35 0.820 0.307 -7.975 1.00 0.00 C ATOM 263 CE1 PHE A 35 1.780 -2.324 -8.018 1.00 0.00 C ATOM 264 CE2 PHE A 35 2.175 0.051 -7.732 1.00 0.00 C ATOM 265 CZ PHE A 35 2.655 -1.264 -7.753 1.00 0.00 C ATOM 0 H PHE A 35 -0.999 1.013 -10.436 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.358 -1.801 -10.204 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.746 0.567 -8.335 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.138 -1.056 -7.804 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.250 -2.888 -8.463 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.450 1.322 -7.958 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.150 -3.338 -8.036 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.850 0.869 -7.528 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.700 -1.461 -7.565 1.00 0.00 H new ATOM 275 N GLU A 36 -4.049 -0.227 -10.747 1.00 0.00 N ATOM 276 CA GLU A 36 -5.516 -0.388 -10.916 1.00 0.00 C ATOM 277 C GLU A 36 -5.812 -1.640 -11.742 1.00 0.00 C ATOM 278 O GLU A 36 -6.719 -2.392 -11.463 1.00 0.00 O ATOM 279 CB GLU A 36 -6.066 0.868 -11.592 1.00 0.00 C ATOM 280 CG GLU A 36 -5.771 0.801 -13.074 1.00 0.00 C ATOM 281 CD GLU A 36 -6.057 2.155 -13.726 1.00 0.00 C ATOM 282 OE1 GLU A 36 -6.773 2.941 -13.126 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.554 2.385 -14.814 1.00 0.00 O ATOM 0 H GLU A 36 -3.649 0.600 -11.191 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.000 -0.512 -9.947 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.140 0.945 -11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.612 1.759 -11.158 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.729 0.524 -13.234 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.381 0.027 -13.540 1.00 0.00 H new ATOM 290 N GLU A 37 -5.053 -1.834 -12.766 1.00 0.00 N ATOM 291 CA GLU A 37 -5.258 -3.005 -13.670 1.00 0.00 C ATOM 292 C GLU A 37 -5.235 -4.320 -12.883 1.00 0.00 C ATOM 293 O GLU A 37 -5.796 -5.311 -13.307 1.00 0.00 O ATOM 294 CB GLU A 37 -4.143 -3.029 -14.716 1.00 0.00 C ATOM 295 CG GLU A 37 -4.524 -3.983 -15.851 1.00 0.00 C ATOM 296 CD GLU A 37 -3.469 -3.905 -16.957 1.00 0.00 C ATOM 297 OE1 GLU A 37 -3.172 -2.803 -17.388 1.00 0.00 O ATOM 298 OE2 GLU A 37 -2.978 -4.948 -17.355 1.00 0.00 O ATOM 0 H GLU A 37 -4.279 -1.224 -13.030 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.232 -2.906 -14.150 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.979 -2.026 -15.110 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.207 -3.349 -14.257 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.597 -5.003 -15.474 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.504 -3.719 -16.249 1.00 0.00 H new ATOM 305 N GLU A 38 -4.584 -4.351 -11.757 1.00 0.00 N ATOM 306 CA GLU A 38 -4.517 -5.597 -10.972 1.00 0.00 C ATOM 307 C GLU A 38 -5.902 -5.952 -10.420 1.00 0.00 C ATOM 308 O GLU A 38 -6.438 -7.009 -10.688 1.00 0.00 O ATOM 309 CB GLU A 38 -3.551 -5.351 -9.821 1.00 0.00 C ATOM 310 CG GLU A 38 -2.110 -5.375 -10.340 1.00 0.00 C ATOM 311 CD GLU A 38 -1.141 -5.240 -9.163 1.00 0.00 C ATOM 312 OE1 GLU A 38 -1.612 -5.115 -8.045 1.00 0.00 O ATOM 313 OE2 GLU A 38 0.055 -5.263 -9.401 1.00 0.00 O ATOM 0 H GLU A 38 -4.093 -3.556 -11.349 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.181 -6.425 -11.596 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.764 -4.389 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.684 -6.113 -9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.921 -6.305 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.954 -4.562 -11.049 1.00 0.00 H new ATOM 320 N ARG A 39 -6.471 -5.073 -9.639 1.00 0.00 N ATOM 321 CA ARG A 39 -7.818 -5.319 -9.031 1.00 0.00 C ATOM 322 C ARG A 39 -8.855 -4.391 -9.637 1.00 0.00 C ATOM 323 O ARG A 39 -9.906 -4.256 -9.077 1.00 0.00 O ATOM 324 CB ARG A 39 -7.775 -5.140 -7.511 1.00 0.00 C ATOM 325 CG ARG A 39 -6.763 -4.046 -7.136 1.00 0.00 C ATOM 326 CD ARG A 39 -7.260 -3.313 -5.893 1.00 0.00 C ATOM 327 NE ARG A 39 -8.018 -4.263 -5.011 1.00 0.00 N ATOM 328 CZ ARG A 39 -8.233 -3.952 -3.762 1.00 0.00 C ATOM 329 NH1 ARG A 39 -7.772 -2.830 -3.281 1.00 0.00 N ATOM 330 NH2 ARG A 39 -8.907 -4.762 -2.993 1.00 0.00 N ATOM 0 H ARG A 39 -6.053 -4.176 -9.390 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.100 -6.349 -9.248 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.765 -4.873 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.499 -6.080 -7.034 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.785 -4.487 -6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.642 -3.346 -7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.416 -2.890 -5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.902 -2.481 -6.183 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.363 -5.147 -5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.244 -2.197 -3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.940 -2.586 -2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.267 -5.640 -3.368 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.074 -4.518 -2.017 1.00 0.00 H new ATOM 344 N ALA A 40 -8.558 -3.736 -10.737 1.00 0.00 N ATOM 345 CA ALA A 40 -9.526 -2.775 -11.436 1.00 0.00 C ATOM 346 C ALA A 40 -11.021 -3.089 -11.188 1.00 0.00 C ATOM 347 O ALA A 40 -11.895 -2.613 -11.876 1.00 0.00 O ATOM 348 CB ALA A 40 -9.256 -2.794 -12.944 1.00 0.00 C ATOM 0 H ALA A 40 -7.657 -3.820 -11.208 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.341 -1.791 -11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.943 -2.112 -13.445 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.230 -2.480 -13.134 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.404 -3.804 -13.327 1.00 0.00 H new ATOM 354 N ARG A 41 -11.278 -3.881 -10.228 1.00 0.00 N ATOM 355 CA ARG A 41 -12.614 -4.295 -9.824 1.00 0.00 C ATOM 356 C ARG A 41 -13.087 -3.378 -8.694 1.00 0.00 C ATOM 357 O ARG A 41 -14.249 -3.320 -8.367 1.00 0.00 O ATOM 358 CB ARG A 41 -12.408 -5.691 -9.295 1.00 0.00 C ATOM 359 CG ARG A 41 -11.865 -6.623 -10.431 1.00 0.00 C ATOM 360 CD ARG A 41 -10.635 -7.457 -9.974 1.00 0.00 C ATOM 361 NE ARG A 41 -9.540 -7.360 -10.999 1.00 0.00 N ATOM 362 CZ ARG A 41 -9.780 -7.532 -12.274 1.00 0.00 C ATOM 363 NH1 ARG A 41 -10.972 -7.873 -12.682 1.00 0.00 N ATOM 364 NH2 ARG A 41 -8.815 -7.388 -13.140 1.00 0.00 N ATOM 0 H ARG A 41 -10.544 -4.296 -9.654 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.350 -4.253 -10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.705 -5.673 -8.462 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.349 -6.085 -8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.658 -7.297 -10.755 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.590 -6.017 -11.294 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.276 -7.094 -9.011 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.923 -8.499 -9.835 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.588 -7.156 -10.694 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.724 -8.007 -12.006 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.152 -8.005 -13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.877 -7.142 -12.823 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.998 -7.521 -14.135 1.00 0.00 H new ATOM 378 N ALA A 42 -12.168 -2.667 -8.091 1.00 0.00 N ATOM 379 CA ALA A 42 -12.527 -1.763 -6.952 1.00 0.00 C ATOM 380 C ALA A 42 -13.431 -0.639 -7.417 1.00 0.00 C ATOM 381 O ALA A 42 -13.790 0.251 -6.673 1.00 0.00 O ATOM 382 CB ALA A 42 -11.258 -1.189 -6.318 1.00 0.00 C ATOM 0 H ALA A 42 -11.179 -2.673 -8.339 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.066 -2.348 -6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.529 -0.533 -5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.636 -2.004 -5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.703 -0.621 -7.065 1.00 0.00 H new ATOM 388 N LYS A 43 -13.787 -0.689 -8.645 1.00 0.00 N ATOM 389 CA LYS A 43 -14.673 0.349 -9.251 1.00 0.00 C ATOM 390 C LYS A 43 -16.018 -0.249 -9.550 1.00 0.00 C ATOM 391 O LYS A 43 -17.009 0.448 -9.647 1.00 0.00 O ATOM 392 CB LYS A 43 -14.054 0.884 -10.548 1.00 0.00 C ATOM 393 CG LYS A 43 -13.214 -0.206 -11.280 1.00 0.00 C ATOM 394 CD LYS A 43 -11.734 0.218 -11.387 1.00 0.00 C ATOM 395 CE LYS A 43 -11.035 0.038 -10.031 1.00 0.00 C ATOM 396 NZ LYS A 43 -11.614 0.977 -9.029 1.00 0.00 N ATOM 0 H LYS A 43 -13.500 -1.425 -9.290 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.785 1.172 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.845 1.239 -11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.420 1.741 -10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.288 -1.150 -10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.621 -0.376 -12.277 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.230 -0.379 -12.147 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.668 1.259 -11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.150 -0.990 -9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.966 0.221 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.029 0.971 -8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.636 1.938 -9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.582 0.678 -8.792 1.00 0.00 H new ATOM 410 N TRP A 44 -16.069 -1.526 -9.681 1.00 0.00 N ATOM 411 CA TRP A 44 -17.379 -2.177 -9.957 1.00 0.00 C ATOM 412 C TRP A 44 -17.426 -3.521 -9.250 1.00 0.00 C ATOM 413 O TRP A 44 -18.179 -4.407 -9.602 1.00 0.00 O ATOM 414 CB TRP A 44 -17.590 -2.347 -11.455 1.00 0.00 C ATOM 415 CG TRP A 44 -16.321 -2.734 -12.066 1.00 0.00 C ATOM 416 CD1 TRP A 44 -15.498 -1.864 -12.616 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.713 -4.044 -12.208 1.00 0.00 C ATOM 418 NE1 TRP A 44 -14.380 -2.521 -13.060 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.466 -3.877 -12.836 1.00 0.00 C ATOM 420 CE3 TRP A 44 -16.107 -5.342 -11.846 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.627 -4.953 -13.093 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.267 -6.438 -12.115 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.025 -6.241 -12.732 1.00 0.00 C ATOM 0 H TRP A 44 -15.270 -2.156 -9.611 1.00 0.00 H new ATOM 0 HA TRP A 44 -18.183 -1.545 -9.580 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -18.348 -3.106 -11.646 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -17.952 -1.417 -11.893 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -15.676 -0.802 -12.703 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.583 -2.062 -13.502 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -17.058 -5.500 -11.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -12.671 -4.794 -13.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -15.581 -7.435 -11.845 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -13.378 -7.083 -12.928 1.00 0.00 H new ATOM 434 N ASP A 45 -16.599 -3.673 -8.262 1.00 0.00 N ATOM 435 CA ASP A 45 -16.548 -4.961 -7.516 1.00 0.00 C ATOM 436 C ASP A 45 -15.642 -4.842 -6.306 1.00 0.00 C ATOM 437 O ASP A 45 -16.086 -4.841 -5.179 1.00 0.00 O ATOM 438 CB ASP A 45 -15.995 -6.043 -8.455 1.00 0.00 C ATOM 439 CG ASP A 45 -17.133 -6.973 -8.937 1.00 0.00 C ATOM 440 OD1 ASP A 45 -18.031 -7.242 -8.154 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.075 -7.411 -10.070 1.00 0.00 O ATOM 0 H ASP A 45 -15.950 -2.958 -7.934 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.550 -5.220 -7.175 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.511 -5.576 -9.313 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.234 -6.627 -7.938 1.00 0.00 H new ATOM 446 N THR A 46 -14.376 -4.812 -6.562 1.00 0.00 N ATOM 447 CA THR A 46 -13.349 -4.764 -5.485 1.00 0.00 C ATOM 448 C THR A 46 -13.150 -6.170 -5.019 1.00 0.00 C ATOM 449 O THR A 46 -12.071 -6.576 -4.668 1.00 0.00 O ATOM 450 CB THR A 46 -13.777 -3.814 -4.334 1.00 0.00 C ATOM 451 OG1 THR A 46 -12.679 -2.973 -4.010 1.00 0.00 O ATOM 452 CG2 THR A 46 -14.204 -4.571 -3.059 1.00 0.00 C ATOM 0 H THR A 46 -13.990 -4.819 -7.506 1.00 0.00 H new ATOM 0 HA THR A 46 -12.409 -4.356 -5.857 1.00 0.00 H new ATOM 0 HB THR A 46 -14.638 -3.244 -4.683 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.935 -2.366 -3.285 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.492 -3.855 -2.290 1.00 0.00 H new ATOM 0 HG22 THR A 46 -15.050 -5.219 -3.287 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.371 -5.175 -2.699 1.00 0.00 H new ATOM 460 N ALA A 47 -14.206 -6.910 -5.028 1.00 0.00 N ATOM 461 CA ALA A 47 -14.135 -8.334 -4.607 1.00 0.00 C ATOM 462 C ALA A 47 -14.268 -9.263 -5.802 1.00 0.00 C ATOM 463 O ALA A 47 -13.557 -10.240 -5.893 1.00 0.00 O ATOM 464 CB ALA A 47 -15.239 -8.632 -3.590 1.00 0.00 C ATOM 0 H ALA A 47 -15.132 -6.591 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.162 -8.506 -4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -15.181 -9.677 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.112 -7.992 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -16.212 -8.439 -4.042 1.00 0.00 H new ATOM 470 N ASN A 48 -15.182 -8.974 -6.698 1.00 0.00 N ATOM 471 CA ASN A 48 -15.411 -9.863 -7.914 1.00 0.00 C ATOM 472 C ASN A 48 -14.869 -11.283 -7.656 1.00 0.00 C ATOM 473 O ASN A 48 -15.156 -11.907 -6.653 1.00 0.00 O ATOM 474 CB ASN A 48 -14.680 -9.297 -9.145 1.00 0.00 C ATOM 475 CG ASN A 48 -13.175 -9.282 -8.879 1.00 0.00 C ATOM 476 OD1 ASN A 48 -12.461 -10.154 -9.332 1.00 0.00 O ATOM 477 ND2 ASN A 48 -12.654 -8.324 -8.166 1.00 0.00 N ATOM 0 H ASN A 48 -15.791 -8.157 -6.650 1.00 0.00 H new ATOM 0 HA ASN A 48 -16.485 -9.896 -8.096 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.899 -9.904 -10.023 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.033 -8.288 -9.359 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.649 -8.308 -7.990 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.251 -7.590 -7.784 1.00 0.00 H new ATOM 484 N ASN A 49 -14.044 -11.755 -8.545 1.00 0.00 N ATOM 485 CA ASN A 49 -13.400 -13.077 -8.399 1.00 0.00 C ATOM 486 C ASN A 49 -12.227 -12.907 -7.408 1.00 0.00 C ATOM 487 O ASN A 49 -11.705 -11.816 -7.287 1.00 0.00 O ATOM 488 CB ASN A 49 -12.866 -13.505 -9.784 1.00 0.00 C ATOM 489 CG ASN A 49 -13.399 -14.877 -10.187 1.00 0.00 C ATOM 490 OD1 ASN A 49 -14.598 -15.185 -9.841 1.00 0.00 O flip ATOM 491 ND2 ASN A 49 -12.716 -15.660 -10.817 1.00 0.00 N flip ATOM 0 H ASN A 49 -13.784 -11.256 -9.396 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.095 -13.832 -8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.156 -12.767 -10.531 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.776 -13.528 -9.764 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.766 -15.406 -11.087 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -13.093 -16.572 -11.076 1.00 0.00 H new ATOM 498 N PRO A 50 -11.842 -13.957 -6.718 1.00 0.00 N ATOM 499 CA PRO A 50 -10.739 -13.860 -5.745 1.00 0.00 C ATOM 500 C PRO A 50 -9.541 -13.140 -6.346 1.00 0.00 C ATOM 501 O PRO A 50 -8.637 -12.728 -5.654 1.00 0.00 O ATOM 502 CB PRO A 50 -10.432 -15.315 -5.334 1.00 0.00 C ATOM 503 CG PRO A 50 -11.516 -16.218 -6.002 1.00 0.00 C ATOM 504 CD PRO A 50 -12.436 -15.301 -6.846 1.00 0.00 C ATOM 0 HA PRO A 50 -11.003 -13.266 -4.870 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.434 -15.605 -5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.456 -15.422 -4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.048 -16.975 -6.632 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.094 -16.747 -5.244 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.468 -15.622 -7.887 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.461 -15.318 -6.475 1.00 0.00 H new ATOM 512 N LEU A 51 -9.577 -12.938 -7.611 1.00 0.00 N ATOM 513 CA LEU A 51 -8.516 -12.179 -8.319 1.00 0.00 C ATOM 514 C LEU A 51 -8.122 -10.970 -7.486 1.00 0.00 C ATOM 515 O LEU A 51 -6.976 -10.668 -7.220 1.00 0.00 O ATOM 516 CB LEU A 51 -9.210 -11.675 -9.561 1.00 0.00 C ATOM 517 CG LEU A 51 -8.226 -11.238 -10.669 1.00 0.00 C ATOM 518 CD1 LEU A 51 -7.048 -10.440 -10.097 1.00 0.00 C ATOM 519 CD2 LEU A 51 -7.693 -12.467 -11.416 1.00 0.00 C ATOM 0 H LEU A 51 -10.324 -13.277 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.627 -12.779 -8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.861 -12.458 -9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.848 -10.832 -9.297 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.773 -10.594 -11.358 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.378 -10.150 -10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.422 -9.546 -9.598 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.506 -11.056 -9.380 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.000 -12.147 -12.195 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.175 -13.122 -10.716 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.525 -13.006 -11.869 1.00 0.00 H new ATOM 531 N TYR A 52 -9.143 -10.303 -7.108 1.00 0.00 N ATOM 532 CA TYR A 52 -9.068 -9.081 -6.301 1.00 0.00 C ATOM 533 C TYR A 52 -8.209 -9.403 -5.091 1.00 0.00 C ATOM 534 O TYR A 52 -7.419 -8.609 -4.621 1.00 0.00 O ATOM 535 CB TYR A 52 -10.512 -8.721 -5.926 1.00 0.00 C ATOM 536 CG TYR A 52 -10.774 -9.071 -4.470 1.00 0.00 C ATOM 537 CD1 TYR A 52 -10.447 -8.164 -3.455 1.00 0.00 C ATOM 538 CD2 TYR A 52 -11.330 -10.314 -4.143 1.00 0.00 C ATOM 539 CE1 TYR A 52 -10.679 -8.498 -2.116 1.00 0.00 C ATOM 540 CE2 TYR A 52 -11.563 -10.648 -2.803 1.00 0.00 C ATOM 541 CZ TYR A 52 -11.238 -9.739 -1.789 1.00 0.00 C ATOM 542 OH TYR A 52 -11.467 -10.068 -0.469 1.00 0.00 O ATOM 0 H TYR A 52 -10.098 -10.574 -7.342 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.621 -8.231 -6.816 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.684 -7.657 -6.090 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.208 -9.259 -6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -10.016 -7.206 -3.705 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -11.579 -11.016 -4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.426 -7.797 -1.334 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -11.993 -11.606 -2.552 1.00 0.00 H new ATOM 0 HH TYR A 52 -11.860 -10.964 -0.419 1.00 0.00 H new ATOM 552 N LYS A 53 -8.359 -10.604 -4.616 1.00 0.00 N ATOM 553 CA LYS A 53 -7.560 -11.063 -3.463 1.00 0.00 C ATOM 554 C LYS A 53 -6.225 -11.524 -4.001 1.00 0.00 C ATOM 555 O LYS A 53 -5.240 -11.591 -3.294 1.00 0.00 O ATOM 556 CB LYS A 53 -8.274 -12.221 -2.747 1.00 0.00 C ATOM 557 CG LYS A 53 -7.571 -12.546 -1.396 1.00 0.00 C ATOM 558 CD LYS A 53 -8.597 -12.604 -0.255 1.00 0.00 C ATOM 559 CE LYS A 53 -7.863 -12.708 1.081 1.00 0.00 C ATOM 560 NZ LYS A 53 -7.155 -14.017 1.159 1.00 0.00 N ATOM 0 H LYS A 53 -9.013 -11.294 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.428 -10.258 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.316 -11.957 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.275 -13.105 -3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.048 -13.500 -1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.819 -11.787 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.225 -11.713 -0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.257 -13.461 -0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.149 -11.890 1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.571 -12.616 1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.813 -14.170 2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.810 -14.782 0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.347 -14.014 0.504 1.00 0.00 H new ATOM 574 N GLU A 54 -6.179 -11.830 -5.270 1.00 0.00 N ATOM 575 CA GLU A 54 -4.876 -12.276 -5.864 1.00 0.00 C ATOM 576 C GLU A 54 -4.068 -11.047 -6.242 1.00 0.00 C ATOM 577 O GLU A 54 -2.853 -11.060 -6.257 1.00 0.00 O ATOM 578 CB GLU A 54 -5.093 -13.137 -7.108 1.00 0.00 C ATOM 579 CG GLU A 54 -5.984 -14.336 -6.768 1.00 0.00 C ATOM 580 CD GLU A 54 -5.869 -15.391 -7.870 1.00 0.00 C ATOM 581 OE1 GLU A 54 -6.424 -15.171 -8.933 1.00 0.00 O ATOM 582 OE2 GLU A 54 -5.227 -16.402 -7.631 1.00 0.00 O ATOM 0 H GLU A 54 -6.969 -11.793 -5.914 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.346 -12.878 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.555 -12.542 -7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.134 -13.484 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.687 -14.763 -5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.020 -14.014 -6.666 1.00 0.00 H new ATOM 589 N ALA A 55 -4.740 -9.983 -6.534 1.00 0.00 N ATOM 590 CA ALA A 55 -4.027 -8.730 -6.904 1.00 0.00 C ATOM 591 C ALA A 55 -3.036 -8.391 -5.791 1.00 0.00 C ATOM 592 O ALA A 55 -1.989 -7.822 -6.028 1.00 0.00 O ATOM 593 CB ALA A 55 -5.040 -7.592 -7.068 1.00 0.00 C ATOM 0 H ALA A 55 -5.758 -9.919 -6.534 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.495 -8.863 -7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.517 -6.675 -7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.752 -7.849 -7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.573 -7.441 -6.129 1.00 0.00 H new ATOM 599 N THR A 56 -3.351 -8.754 -4.577 1.00 0.00 N ATOM 600 CA THR A 56 -2.429 -8.476 -3.455 1.00 0.00 C ATOM 601 C THR A 56 -1.309 -9.506 -3.513 1.00 0.00 C ATOM 602 O THR A 56 -0.170 -9.242 -3.181 1.00 0.00 O ATOM 603 CB THR A 56 -3.210 -8.595 -2.136 1.00 0.00 C ATOM 604 OG1 THR A 56 -4.383 -9.364 -2.359 1.00 0.00 O ATOM 605 CG2 THR A 56 -3.608 -7.206 -1.619 1.00 0.00 C ATOM 0 H THR A 56 -4.214 -9.233 -4.320 1.00 0.00 H new ATOM 0 HA THR A 56 -2.007 -7.473 -3.520 1.00 0.00 H new ATOM 0 HB THR A 56 -2.577 -9.079 -1.392 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.135 -10.245 -2.709 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.160 -7.310 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.711 -6.611 -1.446 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.236 -6.709 -2.358 1.00 0.00 H new ATOM 613 N SER A 57 -1.642 -10.671 -3.955 1.00 0.00 N ATOM 614 CA SER A 57 -0.629 -11.750 -4.077 1.00 0.00 C ATOM 615 C SER A 57 0.425 -11.302 -5.084 1.00 0.00 C ATOM 616 O SER A 57 1.544 -11.774 -5.086 1.00 0.00 O ATOM 617 CB SER A 57 -1.298 -13.035 -4.566 1.00 0.00 C ATOM 618 OG SER A 57 -1.475 -12.966 -5.975 1.00 0.00 O ATOM 0 H SER A 57 -2.585 -10.932 -4.243 1.00 0.00 H new ATOM 0 HA SER A 57 -0.167 -11.944 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.686 -13.899 -4.307 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.261 -13.168 -4.073 1.00 0.00 H new ATOM 0 HG SER A 57 -1.859 -12.097 -6.214 1.00 0.00 H new ATOM 624 N THR A 58 0.071 -10.378 -5.939 1.00 0.00 N ATOM 625 CA THR A 58 1.037 -9.877 -6.945 1.00 0.00 C ATOM 626 C THR A 58 2.323 -9.496 -6.222 1.00 0.00 C ATOM 627 O THR A 58 3.388 -9.412 -6.800 1.00 0.00 O ATOM 628 CB THR A 58 0.456 -8.645 -7.645 1.00 0.00 C ATOM 629 OG1 THR A 58 -0.891 -8.907 -8.019 1.00 0.00 O ATOM 630 CG2 THR A 58 1.280 -8.327 -8.893 1.00 0.00 C ATOM 0 H THR A 58 -0.854 -9.950 -5.979 1.00 0.00 H new ATOM 0 HA THR A 58 1.238 -10.645 -7.692 1.00 0.00 H new ATOM 0 HB THR A 58 0.487 -7.793 -6.966 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.483 -8.255 -7.588 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.865 -7.450 -9.389 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.312 -8.127 -8.606 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.251 -9.177 -9.574 1.00 0.00 H new ATOM 638 N PHE A 59 2.212 -9.273 -4.943 1.00 0.00 N ATOM 639 CA PHE A 59 3.394 -8.901 -4.126 1.00 0.00 C ATOM 640 C PHE A 59 4.211 -10.142 -3.843 1.00 0.00 C ATOM 641 O PHE A 59 5.415 -10.187 -4.003 1.00 0.00 O ATOM 642 CB PHE A 59 2.886 -8.337 -2.805 1.00 0.00 C ATOM 643 CG PHE A 59 4.010 -7.640 -2.077 1.00 0.00 C ATOM 644 CD1 PHE A 59 4.309 -6.302 -2.363 1.00 0.00 C ATOM 645 CD2 PHE A 59 4.757 -8.334 -1.116 1.00 0.00 C ATOM 646 CE1 PHE A 59 5.352 -5.658 -1.687 1.00 0.00 C ATOM 647 CE2 PHE A 59 5.800 -7.690 -0.441 1.00 0.00 C ATOM 648 CZ PHE A 59 6.098 -6.352 -0.726 1.00 0.00 C ATOM 0 H PHE A 59 1.337 -9.334 -4.423 1.00 0.00 H new ATOM 0 HA PHE A 59 4.009 -8.170 -4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.071 -7.637 -2.988 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.484 -9.140 -2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.735 -5.767 -3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.528 -9.366 -0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.582 -4.626 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.375 -8.225 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.903 -5.855 -0.205 1.00 0.00 H new ATOM 658 N THR A 60 3.534 -11.141 -3.416 1.00 0.00 N ATOM 659 CA THR A 60 4.192 -12.432 -3.087 1.00 0.00 C ATOM 660 C THR A 60 4.565 -13.140 -4.391 1.00 0.00 C ATOM 661 O THR A 60 5.447 -13.970 -4.437 1.00 0.00 O ATOM 662 CB THR A 60 3.215 -13.267 -2.227 1.00 0.00 C ATOM 663 OG1 THR A 60 3.700 -13.321 -0.894 1.00 0.00 O ATOM 664 CG2 THR A 60 3.050 -14.697 -2.758 1.00 0.00 C ATOM 0 H THR A 60 2.524 -11.130 -3.273 1.00 0.00 H new ATOM 0 HA THR A 60 5.109 -12.284 -2.516 1.00 0.00 H new ATOM 0 HB THR A 60 2.239 -12.782 -2.268 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.084 -13.848 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.355 -15.244 -2.121 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.661 -14.665 -3.776 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.017 -15.200 -2.755 1.00 0.00 H new ATOM 672 N ASN A 61 3.892 -12.806 -5.439 1.00 0.00 N ATOM 673 CA ASN A 61 4.182 -13.441 -6.757 1.00 0.00 C ATOM 674 C ASN A 61 5.639 -13.189 -7.134 1.00 0.00 C ATOM 675 O ASN A 61 6.153 -13.745 -8.084 1.00 0.00 O ATOM 676 CB ASN A 61 3.279 -12.821 -7.818 1.00 0.00 C ATOM 677 CG ASN A 61 3.500 -13.529 -9.157 1.00 0.00 C ATOM 678 OD1 ASN A 61 3.865 -14.687 -9.192 1.00 0.00 O ATOM 679 ND2 ASN A 61 3.293 -12.876 -10.268 1.00 0.00 N ATOM 0 H ASN A 61 3.143 -12.114 -5.450 1.00 0.00 H new ATOM 0 HA ASN A 61 4.001 -14.514 -6.693 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.235 -12.908 -7.517 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.495 -11.757 -7.917 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.438 -13.338 -11.166 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.986 -11.904 -10.238 1.00 0.00 H new ATOM 686 N ILE A 62 6.301 -12.348 -6.392 1.00 0.00 N ATOM 687 CA ILE A 62 7.736 -12.024 -6.679 1.00 0.00 C ATOM 688 C ILE A 62 8.594 -12.705 -5.625 1.00 0.00 C ATOM 689 O ILE A 62 9.768 -12.957 -5.810 1.00 0.00 O ATOM 690 CB ILE A 62 7.938 -10.494 -6.620 1.00 0.00 C ATOM 691 CG1 ILE A 62 6.636 -9.797 -7.022 1.00 0.00 C ATOM 692 CG2 ILE A 62 9.056 -10.068 -7.580 1.00 0.00 C ATOM 693 CD1 ILE A 62 6.849 -8.283 -7.034 1.00 0.00 C ATOM 0 H ILE A 62 5.908 -11.862 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 62 8.018 -12.375 -7.672 1.00 0.00 H new ATOM 0 HB ILE A 62 8.215 -10.212 -5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.318 -10.138 -8.007 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.841 -10.057 -6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.188 -8.987 -7.528 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.986 -10.561 -7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.790 -10.353 -8.598 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.921 -7.787 -7.320 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.147 -7.950 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.631 -8.031 -7.750 1.00 0.00 H new ATOM 705 N THR A 63 7.988 -13.011 -4.521 1.00 0.00 N ATOM 706 CA THR A 63 8.710 -13.698 -3.410 1.00 0.00 C ATOM 707 C THR A 63 8.339 -15.176 -3.463 1.00 0.00 C ATOM 708 O THR A 63 8.979 -16.023 -2.876 1.00 0.00 O ATOM 709 CB THR A 63 8.300 -13.049 -2.083 1.00 0.00 C ATOM 710 OG1 THR A 63 9.298 -12.114 -1.697 1.00 0.00 O ATOM 711 CG2 THR A 63 8.122 -14.083 -0.960 1.00 0.00 C ATOM 0 H THR A 63 7.005 -12.813 -4.332 1.00 0.00 H new ATOM 0 HA THR A 63 9.792 -13.605 -3.504 1.00 0.00 H new ATOM 0 HB THR A 63 7.340 -12.556 -2.237 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.042 -11.693 -0.850 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.832 -13.575 -0.040 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.347 -14.796 -1.241 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.061 -14.613 -0.801 1.00 0.00 H new ATOM 719 N TYR A 64 7.299 -15.474 -4.179 1.00 0.00 N ATOM 720 CA TYR A 64 6.853 -16.890 -4.303 1.00 0.00 C ATOM 721 C TYR A 64 8.026 -17.761 -4.755 1.00 0.00 C ATOM 722 O TYR A 64 7.942 -18.974 -4.781 1.00 0.00 O ATOM 723 CB TYR A 64 5.697 -16.993 -5.317 1.00 0.00 C ATOM 724 CG TYR A 64 6.222 -16.974 -6.754 1.00 0.00 C ATOM 725 CD1 TYR A 64 7.153 -15.999 -7.186 1.00 0.00 C ATOM 726 CD2 TYR A 64 5.772 -17.946 -7.662 1.00 0.00 C ATOM 727 CE1 TYR A 64 7.613 -16.012 -8.509 1.00 0.00 C ATOM 728 CE2 TYR A 64 6.239 -17.950 -8.981 1.00 0.00 C ATOM 729 CZ TYR A 64 7.156 -16.984 -9.404 1.00 0.00 C ATOM 730 OH TYR A 64 7.614 -16.991 -10.706 1.00 0.00 O ATOM 0 H TYR A 64 6.732 -14.796 -4.689 1.00 0.00 H new ATOM 0 HA TYR A 64 6.500 -17.240 -3.333 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.137 -17.912 -5.143 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.004 -16.165 -5.169 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.508 -15.247 -6.497 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.062 -18.694 -7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.323 -15.268 -8.839 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.890 -18.701 -9.674 1.00 0.00 H new ATOM 0 HH TYR A 64 7.199 -17.732 -11.195 1.00 0.00 H new ATOM 740 N ARG A 65 9.115 -17.151 -5.116 1.00 0.00 N ATOM 741 CA ARG A 65 10.294 -17.935 -5.573 1.00 0.00 C ATOM 742 C ARG A 65 10.889 -18.688 -4.387 1.00 0.00 C ATOM 743 O ARG A 65 11.622 -19.644 -4.538 1.00 0.00 O ATOM 744 CB ARG A 65 11.336 -16.983 -6.160 1.00 0.00 C ATOM 745 CG ARG A 65 12.423 -17.784 -6.888 1.00 0.00 C ATOM 746 CD ARG A 65 13.557 -16.843 -7.351 1.00 0.00 C ATOM 747 NE ARG A 65 13.982 -17.202 -8.742 1.00 0.00 N ATOM 748 CZ ARG A 65 14.208 -18.444 -9.085 1.00 0.00 C ATOM 749 NH1 ARG A 65 14.191 -19.394 -8.190 1.00 0.00 N ATOM 750 NH2 ARG A 65 14.491 -18.732 -10.327 1.00 0.00 N ATOM 0 H ARG A 65 9.242 -16.139 -5.115 1.00 0.00 H new ATOM 0 HA ARG A 65 9.990 -18.651 -6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.859 -16.289 -6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.783 -16.385 -5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.824 -18.551 -6.226 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.993 -18.298 -7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.217 -15.808 -7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 65 14.405 -16.920 -6.671 1.00 0.00 H new ATOM 0 HE ARG A 65 14.097 -16.463 -9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.000 -19.171 -7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.368 -20.359 -8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.535 -17.990 -11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.668 -19.699 -10.599 1.00 0.00 H new ATOM 764 N GLY A 66 10.568 -18.258 -3.208 1.00 0.00 N ATOM 765 CA GLY A 66 11.099 -18.934 -1.990 1.00 0.00 C ATOM 766 C GLY A 66 12.628 -18.909 -2.014 1.00 0.00 C ATOM 767 O GLY A 66 13.277 -19.914 -1.798 1.00 0.00 O ATOM 0 H GLY A 66 9.956 -17.462 -3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.731 -18.433 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.743 -19.963 -1.949 1.00 0.00 H new ATOM 771 N THR A 67 13.210 -17.771 -2.274 1.00 0.00 N ATOM 772 CA THR A 67 14.696 -17.685 -2.310 1.00 0.00 C ATOM 773 C THR A 67 15.244 -18.724 -3.291 1.00 0.00 C ATOM 774 O THR A 67 15.427 -19.858 -2.881 1.00 0.00 O ATOM 775 CB THR A 67 15.257 -17.960 -0.912 1.00 0.00 C ATOM 776 OG1 THR A 67 14.522 -17.210 0.045 1.00 0.00 O ATOM 777 CG2 THR A 67 16.730 -17.553 -0.861 1.00 0.00 C ATOM 778 OXT THR A 67 15.468 -18.368 -4.436 1.00 0.00 O ATOM 0 H THR A 67 12.720 -16.897 -2.463 1.00 0.00 H new ATOM 0 HA THR A 67 14.994 -16.687 -2.632 1.00 0.00 H new ATOM 0 HB THR A 67 15.170 -19.023 -0.687 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.878 -17.385 0.941 1.00 0.00 H new ATOM 0 HG21 THR A 67 17.127 -17.749 0.135 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.292 -18.129 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 67 16.822 -16.490 -1.085 1.00 0.00 H new TER 786 THR A 67