USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 517 hydrogens (19 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 NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 801 ZNZN :(H bumps) USER MOD NoAdj-H: C 4 MLY H2 : C 4 MLY N : C 3 THR C :(H bumps) USER MOD NoAdj-H: C 4 MLY H : C 4 MLY N : C 3 THR C :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot 180:sc= 0.024 USER MOD Set 1.2: A 52 GLN : amide:sc= 0 X(o=0.024,f=0.0084) USER MOD Set 2.1: A 28 CYS SG : rot -98:sc= -0.947! USER MOD Set 2.2: A 30 GLN : amide:sc= -3.4! K(o=-3.4!,f=-6.5) USER MOD Set 2.3: A 46 TYR OH : rot 32:sc= 0.913 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl -170:sc= 0 (180deg=-0.0942) USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -3 GLY N :NH3+ -175:sc= 1.06 (180deg=1.05) USER MOD Single : A 14 GLN : amide:sc= 0.0539 K(o=0.054,f=-0.74) USER MOD Single : A 17 ASN : amide:sc= -0.0412 X(o=-0.041,f=-0.21) USER MOD Single : A 20 MET CE :methyl 138:sc= -2.76! (180deg=-7.8!) USER MOD Single : A 22 GLN : amide:sc= 0.975 K(o=0.98,f=-3) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -148:sc= -0.362 (180deg=-1.19) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 1.27 (180deg=0.483) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 ALA N :NH3+ 176:sc= 0.804 (180deg=0.798) USER MOD Single : C 3 THR OG1 : rot 180:sc= 0 USER MOD Single : C 5 GLN : amide:sc= 0.0523 X(o=0.052,f=0) USER MOD Single : C 6 THR OG1 : rot 180:sc= 0 USER MOD Single : C 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 10 SER OG : rot 180:sc= 0 USER MOD Single : C 11 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 10.040 0.301 2.605 1.00 0.00 N ATOM 2 CA GLY A -3 9.123 -0.695 3.214 1.00 0.00 C ATOM 3 C GLY A -3 8.597 -1.694 2.191 1.00 0.00 C ATOM 4 O GLY A -3 8.504 -1.383 1.005 1.00 0.00 O ATOM 0 H1 GLY A -3 10.439 0.907 3.350 1.00 0.00 H new ATOM 0 H2 GLY A -3 10.810 -0.193 2.111 1.00 0.00 H new ATOM 0 H3 GLY A -3 9.514 0.888 1.926 1.00 0.00 H new ATOM 0 HA2 GLY A -3 9.646 -1.230 4.007 1.00 0.00 H new ATOM 0 HA3 GLY A -3 8.284 -0.177 3.679 1.00 0.00 H new ATOM 10 N HIS A -2 8.223 -2.890 2.662 1.00 0.00 N ATOM 11 CA HIS A -2 7.605 -3.998 1.901 1.00 0.00 C ATOM 12 C HIS A -2 8.345 -4.376 0.603 1.00 0.00 C ATOM 13 O HIS A -2 9.248 -5.214 0.633 1.00 0.00 O ATOM 14 CB HIS A -2 6.095 -3.762 1.720 1.00 0.00 C ATOM 15 CG HIS A -2 5.345 -3.603 3.021 1.00 0.00 C ATOM 16 ND1 HIS A -2 5.132 -4.616 3.963 1.00 0.00 N ATOM 17 CD2 HIS A -2 4.767 -2.452 3.476 1.00 0.00 C ATOM 18 CE1 HIS A -2 4.430 -4.051 4.963 1.00 0.00 C ATOM 19 NE2 HIS A -2 4.197 -2.754 4.694 1.00 0.00 N ATOM 0 H HIS A -2 8.349 -3.131 3.645 1.00 0.00 H new ATOM 0 HA HIS A -2 7.719 -4.895 2.509 1.00 0.00 H new ATOM 0 HB2 HIS A -2 5.946 -2.869 1.114 1.00 0.00 H new ATOM 0 HB3 HIS A -2 5.669 -4.598 1.165 1.00 0.00 H new ATOM 0 HD2 HIS A -2 4.758 -1.493 2.979 1.00 0.00 H new ATOM 0 HE1 HIS A -2 4.101 -4.566 5.854 1.00 0.00 H new ATOM 0 HE2 HIS A -2 3.685 -2.104 5.290 1.00 0.00 H new ATOM 27 N MET A -1 7.974 -3.774 -0.532 1.00 0.00 N ATOM 28 CA MET A -1 8.602 -3.993 -1.844 1.00 0.00 C ATOM 29 C MET A -1 10.044 -3.484 -1.939 1.00 0.00 C ATOM 30 O MET A -1 10.853 -4.057 -2.668 1.00 0.00 O ATOM 31 CB MET A -1 7.760 -3.312 -2.944 1.00 0.00 C ATOM 32 CG MET A -1 7.288 -1.871 -2.671 1.00 0.00 C ATOM 33 SD MET A -1 5.821 -1.674 -1.610 1.00 0.00 S ATOM 34 CE MET A -1 4.514 -2.315 -2.693 1.00 0.00 C ATOM 0 H MET A -1 7.208 -3.102 -0.567 1.00 0.00 H new ATOM 0 HA MET A -1 8.639 -5.074 -1.981 1.00 0.00 H new ATOM 0 HB2 MET A -1 8.344 -3.309 -3.864 1.00 0.00 H new ATOM 0 HB3 MET A -1 6.880 -3.928 -3.127 1.00 0.00 H new ATOM 0 HG2 MET A -1 8.113 -1.324 -2.215 1.00 0.00 H new ATOM 0 HG3 MET A -1 7.081 -1.394 -3.629 1.00 0.00 H new ATOM 0 HE1 MET A -1 3.540 -2.097 -2.256 1.00 0.00 H new ATOM 0 HE2 MET A -1 4.587 -1.840 -3.671 1.00 0.00 H new ATOM 0 HE3 MET A -1 4.629 -3.393 -2.804 1.00 0.00 H new ATOM 44 N ASP A 0 10.356 -2.385 -1.246 1.00 0.00 N ATOM 45 CA ASP A 0 11.612 -1.619 -1.361 1.00 0.00 C ATOM 46 C ASP A 0 12.033 -1.206 -2.784 1.00 0.00 C ATOM 47 O ASP A 0 13.165 -0.793 -3.019 1.00 0.00 O ATOM 48 CB ASP A 0 12.767 -2.321 -0.639 1.00 0.00 C ATOM 49 CG ASP A 0 12.666 -2.327 0.898 1.00 0.00 C ATOM 50 OD1 ASP A 0 11.898 -1.521 1.481 1.00 0.00 O ATOM 51 OD2 ASP A 0 13.368 -3.147 1.537 1.00 0.00 O1- ATOM 0 H ASP A 0 9.717 -1.984 -0.559 1.00 0.00 H new ATOM 0 HA ASP A 0 11.378 -0.678 -0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 0 12.821 -3.352 -0.989 1.00 0.00 H new ATOM 0 HB3 ASP A 0 13.701 -1.838 -0.925 1.00 0.00 H new ATOM 56 N ARG A 1 11.107 -1.329 -3.736 1.00 0.00 N ATOM 57 CA ARG A 1 11.220 -0.987 -5.174 1.00 0.00 C ATOM 58 C ARG A 1 12.370 -1.679 -5.925 1.00 0.00 C ATOM 59 O ARG A 1 12.653 -1.356 -7.080 1.00 0.00 O ATOM 60 CB ARG A 1 11.083 0.544 -5.324 1.00 0.00 C ATOM 61 CG ARG A 1 12.165 1.498 -4.801 1.00 0.00 C ATOM 62 CD ARG A 1 13.569 1.262 -5.353 1.00 0.00 C ATOM 63 NE ARG A 1 13.617 1.344 -6.827 1.00 0.00 N ATOM 64 CZ ARG A 1 13.896 2.393 -7.580 1.00 0.00 C ATOM 65 NH1 ARG A 1 14.181 3.564 -7.071 1.00 0.00 N1+ ATOM 66 NH2 ARG A 1 13.895 2.282 -8.877 1.00 0.00 N ATOM 0 H ARG A 1 10.182 -1.698 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 1 10.389 -1.430 -5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.966 0.749 -6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.149 0.828 -4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.868 2.520 -5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.202 1.418 -3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 1 14.252 1.998 -4.929 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.921 0.281 -5.035 1.00 0.00 H new ATOM 0 HE ARG A 1 13.408 0.480 -7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 1 14.193 3.691 -6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 1 14.391 4.350 -7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 1 13.679 1.385 -9.312 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.110 3.092 -9.458 1.00 0.00 H new ATOM 80 N TYR A 2 12.985 -2.666 -5.277 1.00 0.00 N ATOM 81 CA TYR A 2 14.002 -3.559 -5.817 1.00 0.00 C ATOM 82 C TYR A 2 13.383 -4.776 -6.526 1.00 0.00 C ATOM 83 O TYR A 2 12.386 -5.342 -6.070 1.00 0.00 O ATOM 84 CB TYR A 2 14.874 -4.051 -4.651 1.00 0.00 C ATOM 85 CG TYR A 2 16.135 -3.236 -4.426 1.00 0.00 C ATOM 86 CD1 TYR A 2 16.193 -2.266 -3.405 1.00 0.00 C ATOM 87 CD2 TYR A 2 17.261 -3.459 -5.245 1.00 0.00 C ATOM 88 CE1 TYR A 2 17.366 -1.511 -3.206 1.00 0.00 C ATOM 89 CE2 TYR A 2 18.436 -2.706 -5.052 1.00 0.00 C ATOM 90 CZ TYR A 2 18.492 -1.730 -4.032 1.00 0.00 C ATOM 91 OH TYR A 2 19.633 -1.004 -3.855 1.00 0.00 O ATOM 0 H TYR A 2 12.772 -2.874 -4.302 1.00 0.00 H new ATOM 0 HA TYR A 2 14.589 -3.010 -6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 2 14.279 -4.038 -3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 2 15.154 -5.088 -4.835 1.00 0.00 H new ATOM 0 HD1 TYR A 2 15.334 -2.101 -2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 2 17.223 -4.208 -6.022 1.00 0.00 H new ATOM 0 HE1 TYR A 2 17.405 -0.767 -2.424 1.00 0.00 H new ATOM 0 HE2 TYR A 2 19.295 -2.875 -5.685 1.00 0.00 H new ATOM 0 HH TYR A 2 20.306 -1.287 -4.509 1.00 0.00 H new ATOM 101 N ASP A 3 14.013 -5.217 -7.620 1.00 0.00 N ATOM 102 CA ASP A 3 13.694 -6.483 -8.291 1.00 0.00 C ATOM 103 C ASP A 3 14.583 -7.623 -7.752 1.00 0.00 C ATOM 104 O ASP A 3 15.802 -7.623 -7.944 1.00 0.00 O ATOM 105 CB ASP A 3 13.833 -6.321 -9.813 1.00 0.00 C ATOM 106 CG ASP A 3 12.929 -5.223 -10.403 1.00 0.00 C ATOM 107 OD1 ASP A 3 11.741 -5.121 -10.008 1.00 0.00 O ATOM 108 OD2 ASP A 3 13.408 -4.458 -11.274 1.00 0.00 O1- ATOM 0 H ASP A 3 14.768 -4.699 -8.070 1.00 0.00 H new ATOM 0 HA ASP A 3 12.660 -6.751 -8.076 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.871 -6.092 -10.052 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.598 -7.271 -10.294 1.00 0.00 H new ATOM 113 N PHE A 4 13.966 -8.604 -7.086 1.00 0.00 N ATOM 114 CA PHE A 4 14.600 -9.772 -6.470 1.00 0.00 C ATOM 115 C PHE A 4 13.860 -11.071 -6.813 1.00 0.00 C ATOM 116 O PHE A 4 12.684 -11.071 -7.175 1.00 0.00 O ATOM 117 CB PHE A 4 14.624 -9.563 -4.945 1.00 0.00 C ATOM 118 CG PHE A 4 15.554 -8.497 -4.379 1.00 0.00 C ATOM 119 CD1 PHE A 4 16.856 -8.309 -4.886 1.00 0.00 C ATOM 120 CD2 PHE A 4 15.110 -7.690 -3.311 1.00 0.00 C ATOM 121 CE1 PHE A 4 17.702 -7.331 -4.330 1.00 0.00 C ATOM 122 CE2 PHE A 4 15.960 -6.720 -2.748 1.00 0.00 C ATOM 123 CZ PHE A 4 17.257 -6.541 -3.257 1.00 0.00 C ATOM 0 H PHE A 4 12.954 -8.604 -6.955 1.00 0.00 H new ATOM 0 HA PHE A 4 15.613 -9.869 -6.860 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.610 -9.324 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.887 -10.514 -4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 4 17.206 -8.919 -5.706 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.110 -7.817 -2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.695 -7.188 -4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.615 -6.113 -1.924 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.910 -5.798 -2.824 1.00 0.00 H new ATOM 133 N GLU A 5 14.552 -12.201 -6.651 1.00 0.00 N ATOM 134 CA GLU A 5 14.000 -13.546 -6.816 1.00 0.00 C ATOM 135 C GLU A 5 12.976 -13.780 -5.682 1.00 0.00 C ATOM 136 O GLU A 5 13.329 -14.029 -4.528 1.00 0.00 O ATOM 137 CB GLU A 5 15.174 -14.582 -6.815 1.00 0.00 C ATOM 138 CG GLU A 5 16.506 -14.142 -7.450 1.00 0.00 C ATOM 139 CD GLU A 5 16.380 -13.843 -8.952 1.00 0.00 C ATOM 140 OE1 GLU A 5 16.772 -12.735 -9.391 1.00 0.00 O ATOM 141 OE2 GLU A 5 15.891 -14.716 -9.710 1.00 0.00 O1- ATOM 0 H GLU A 5 15.539 -12.205 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 5 13.479 -13.665 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.371 -14.867 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.833 -15.478 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.872 -13.253 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.250 -14.924 -7.301 1.00 0.00 H new ATOM 148 N VAL A 6 11.685 -13.670 -6.027 1.00 0.00 N ATOM 149 CA VAL A 6 10.553 -13.624 -5.079 1.00 0.00 C ATOM 150 C VAL A 6 9.441 -14.538 -5.535 1.00 0.00 C ATOM 151 O VAL A 6 8.744 -14.223 -6.484 1.00 0.00 O ATOM 152 CB VAL A 6 10.061 -12.164 -4.930 1.00 0.00 C ATOM 153 CG1 VAL A 6 8.724 -12.033 -4.183 1.00 0.00 C ATOM 154 CG2 VAL A 6 11.072 -11.296 -4.170 1.00 0.00 C ATOM 0 H VAL A 6 11.387 -13.609 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 6 10.885 -13.977 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 6 9.937 -11.825 -5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.445 -10.981 -4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.951 -12.581 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.827 -12.444 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.689 -10.279 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.228 -11.707 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.019 -11.284 -4.709 1.00 0.00 H new ATOM 164 N VAL A 7 9.233 -15.668 -4.876 1.00 0.00 N ATOM 165 CA VAL A 7 8.191 -16.615 -5.296 1.00 0.00 C ATOM 166 C VAL A 7 6.820 -16.060 -4.896 1.00 0.00 C ATOM 167 O VAL A 7 6.390 -16.147 -3.748 1.00 0.00 O ATOM 168 CB VAL A 7 8.418 -18.015 -4.699 1.00 0.00 C ATOM 169 CG1 VAL A 7 7.283 -18.970 -5.060 1.00 0.00 C ATOM 170 CG2 VAL A 7 9.684 -18.655 -5.271 1.00 0.00 C ATOM 0 H VAL A 7 9.763 -15.957 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 7 8.235 -16.727 -6.379 1.00 0.00 H new ATOM 0 HB VAL A 7 8.486 -17.870 -3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.478 -19.949 -4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.342 -18.579 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.218 -19.065 -6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.822 -19.644 -4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.588 -18.748 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.546 -18.031 -5.035 1.00 0.00 H new ATOM 180 N ARG A 8 6.119 -15.479 -5.864 1.00 0.00 N ATOM 181 CA ARG A 8 4.781 -14.902 -5.715 1.00 0.00 C ATOM 182 C ARG A 8 3.875 -15.482 -6.774 1.00 0.00 C ATOM 183 O ARG A 8 3.804 -14.961 -7.879 1.00 0.00 O ATOM 184 CB ARG A 8 4.865 -13.369 -5.794 1.00 0.00 C ATOM 185 CG ARG A 8 4.745 -12.721 -4.417 1.00 0.00 C ATOM 186 CD ARG A 8 4.927 -11.193 -4.613 1.00 0.00 C ATOM 187 NE ARG A 8 4.086 -10.379 -3.698 1.00 0.00 N ATOM 188 CZ ARG A 8 4.209 -10.246 -2.388 1.00 0.00 C ATOM 189 NH1 ARG A 8 5.147 -10.840 -1.705 1.00 0.00 N1+ ATOM 190 NH2 ARG A 8 3.373 -9.497 -1.729 1.00 0.00 N ATOM 0 H ARG A 8 6.479 -15.392 -6.814 1.00 0.00 H new ATOM 0 HA ARG A 8 4.361 -15.152 -4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.812 -13.080 -6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.072 -12.995 -6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.774 -12.939 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.502 -13.115 -3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.975 -10.936 -4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.685 -10.935 -5.644 1.00 0.00 H new ATOM 0 HE ARG A 8 3.322 -9.861 -4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.824 -11.436 -2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.204 -10.708 -0.695 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.623 -9.013 -2.223 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.468 -9.394 -0.719 1.00 0.00 H new ATOM 204 N CYS A 9 3.240 -16.593 -6.420 1.00 0.00 N ATOM 205 CA CYS A 9 2.163 -17.210 -7.199 1.00 0.00 C ATOM 206 C CYS A 9 0.773 -16.719 -6.756 1.00 0.00 C ATOM 207 O CYS A 9 0.593 -16.356 -5.599 1.00 0.00 O ATOM 208 CB CYS A 9 2.284 -18.742 -7.092 1.00 0.00 C ATOM 209 SG CYS A 9 1.123 -19.612 -8.202 1.00 0.00 S ATOM 0 H CYS A 9 3.461 -17.104 -5.566 1.00 0.00 H new ATOM 0 HA CYS A 9 2.268 -16.911 -8.242 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.304 -19.041 -7.332 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.096 -19.047 -6.063 1.00 0.00 H new ATOM 214 N ILE A 10 -0.246 -16.873 -7.620 1.00 0.00 N ATOM 215 CA ILE A 10 -1.683 -16.678 -7.293 1.00 0.00 C ATOM 216 C ILE A 10 -2.157 -17.516 -6.101 1.00 0.00 C ATOM 217 O ILE A 10 -3.207 -17.273 -5.507 1.00 0.00 O ATOM 218 CB ILE A 10 -2.591 -17.035 -8.487 1.00 0.00 C ATOM 219 CG1 ILE A 10 -2.363 -18.398 -9.190 1.00 0.00 C ATOM 220 CG2 ILE A 10 -2.431 -15.912 -9.504 1.00 0.00 C ATOM 221 CD1 ILE A 10 -2.755 -19.659 -8.414 1.00 0.00 C ATOM 0 H ILE A 10 -0.096 -17.143 -8.592 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.763 -15.620 -7.041 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.594 -17.142 -8.074 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.919 -18.392 -10.128 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.306 -18.474 -9.446 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.056 -16.117 -10.373 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.734 -14.967 -9.053 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.388 -15.848 -9.814 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.543 -20.540 -9.020 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.182 -19.709 -7.488 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.819 -19.626 -8.180 1.00 0.00 H new ATOM 233 N CYS A 11 -1.347 -18.518 -5.774 1.00 0.00 N ATOM 234 CA CYS A 11 -1.520 -19.427 -4.656 1.00 0.00 C ATOM 235 C CYS A 11 -1.260 -18.701 -3.304 1.00 0.00 C ATOM 236 O CYS A 11 -1.593 -19.241 -2.250 1.00 0.00 O ATOM 237 CB CYS A 11 -0.516 -20.581 -4.863 1.00 0.00 C ATOM 238 SG CYS A 11 -0.870 -21.985 -5.913 1.00 0.00 S ATOM 0 H CYS A 11 -0.507 -18.725 -6.315 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.542 -19.804 -4.617 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.402 -20.132 -5.242 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.291 -20.980 -3.874 1.00 0.00 H new ATOM 243 N GLU A 12 -0.624 -17.511 -3.329 1.00 0.00 N ATOM 244 CA GLU A 12 -0.134 -16.728 -2.180 1.00 0.00 C ATOM 245 C GLU A 12 0.720 -17.553 -1.213 1.00 0.00 C ATOM 246 O GLU A 12 0.672 -17.427 0.011 1.00 0.00 O ATOM 247 CB GLU A 12 -1.288 -15.942 -1.534 1.00 0.00 C ATOM 248 CG GLU A 12 -1.862 -14.877 -2.482 1.00 0.00 C ATOM 249 CD GLU A 12 -2.910 -13.975 -1.794 1.00 0.00 C ATOM 250 OE1 GLU A 12 -2.929 -12.749 -2.072 1.00 0.00 O ATOM 251 OE2 GLU A 12 -3.724 -14.468 -0.974 1.00 0.00 O1- ATOM 0 H GLU A 12 -0.427 -17.042 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 12 0.569 -15.979 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.079 -16.633 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.934 -15.462 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.049 -14.259 -2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.318 -15.368 -3.341 1.00 0.00 H new ATOM 258 N VAL A 13 1.515 -18.426 -1.833 1.00 0.00 N ATOM 259 CA VAL A 13 2.482 -19.316 -1.220 1.00 0.00 C ATOM 260 C VAL A 13 3.836 -19.108 -1.890 1.00 0.00 C ATOM 261 O VAL A 13 3.927 -18.991 -3.110 1.00 0.00 O ATOM 262 CB VAL A 13 1.947 -20.761 -1.288 1.00 0.00 C ATOM 263 CG1 VAL A 13 2.255 -21.476 -2.605 1.00 0.00 C ATOM 264 CG2 VAL A 13 2.459 -21.590 -0.111 1.00 0.00 C ATOM 0 H VAL A 13 1.493 -18.531 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 13 2.629 -19.098 -0.162 1.00 0.00 H new ATOM 0 HB VAL A 13 0.862 -20.671 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.846 -22.486 -2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.804 -20.927 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.334 -21.525 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.067 -22.605 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.548 -21.619 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.127 -21.138 0.824 1.00 0.00 H new ATOM 274 N GLN A 14 4.895 -19.100 -1.093 1.00 0.00 N ATOM 275 CA GLN A 14 6.286 -19.126 -1.578 1.00 0.00 C ATOM 276 C GLN A 14 6.814 -20.575 -1.812 1.00 0.00 C ATOM 277 O GLN A 14 8.008 -20.778 -2.041 1.00 0.00 O ATOM 278 CB GLN A 14 7.199 -18.345 -0.622 1.00 0.00 C ATOM 279 CG GLN A 14 7.043 -16.814 -0.593 1.00 0.00 C ATOM 280 CD GLN A 14 5.627 -16.331 -0.300 1.00 0.00 C ATOM 281 OE1 GLN A 14 5.190 -16.257 0.840 1.00 0.00 O ATOM 282 NE2 GLN A 14 4.848 -15.990 -1.308 1.00 0.00 N ATOM 0 H GLN A 14 4.821 -19.075 -0.076 1.00 0.00 H new ATOM 0 HA GLN A 14 6.299 -18.637 -2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.031 -18.721 0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.233 -18.574 -0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.716 -16.407 0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.360 -16.410 -1.555 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.198 -16.046 -2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.896 -15.670 -1.131 1.00 0.00 H new ATOM 291 N GLU A 15 5.941 -21.592 -1.714 1.00 0.00 N ATOM 292 CA GLU A 15 6.228 -23.019 -1.910 1.00 0.00 C ATOM 293 C GLU A 15 6.738 -23.281 -3.325 1.00 0.00 C ATOM 294 O GLU A 15 6.376 -22.573 -4.258 1.00 0.00 O ATOM 295 CB GLU A 15 4.989 -23.878 -1.576 1.00 0.00 C ATOM 296 CG GLU A 15 5.184 -25.399 -1.648 1.00 0.00 C ATOM 297 CD GLU A 15 6.296 -25.885 -0.699 1.00 0.00 C ATOM 298 OE1 GLU A 15 6.000 -26.189 0.482 1.00 0.00 O ATOM 299 OE2 GLU A 15 7.465 -25.961 -1.141 1.00 0.00 O1- ATOM 0 H GLU A 15 4.961 -21.428 -1.483 1.00 0.00 H new ATOM 0 HA GLU A 15 7.021 -23.310 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.655 -23.622 -0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.186 -23.602 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.248 -25.897 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.430 -25.685 -2.671 1.00 0.00 H new ATOM 306 N GLU A 16 7.590 -24.280 -3.493 1.00 0.00 N ATOM 307 CA GLU A 16 8.073 -24.760 -4.758 1.00 0.00 C ATOM 308 C GLU A 16 7.522 -26.136 -5.131 1.00 0.00 C ATOM 309 O GLU A 16 7.738 -27.176 -4.502 1.00 0.00 O ATOM 310 CB GLU A 16 9.576 -24.741 -4.936 1.00 0.00 C ATOM 311 CG GLU A 16 10.334 -23.713 -4.090 1.00 0.00 C ATOM 312 CD GLU A 16 10.926 -24.281 -2.783 1.00 0.00 C ATOM 313 OE1 GLU A 16 10.877 -23.581 -1.740 1.00 0.00 O ATOM 314 OE2 GLU A 16 11.459 -25.419 -2.778 1.00 0.00 O1- ATOM 0 H GLU A 16 7.977 -24.798 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 16 7.677 -24.019 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.963 -25.733 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.796 -24.552 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.142 -23.292 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.659 -22.893 -3.844 1.00 0.00 H new ATOM 321 N ASN A 17 6.833 -26.057 -6.238 1.00 0.00 N ATOM 322 CA ASN A 17 6.351 -27.155 -7.067 1.00 0.00 C ATOM 323 C ASN A 17 7.532 -27.767 -7.865 1.00 0.00 C ATOM 324 O ASN A 17 8.631 -27.213 -7.923 1.00 0.00 O ATOM 325 CB ASN A 17 5.236 -26.695 -8.032 1.00 0.00 C ATOM 326 CG ASN A 17 3.838 -26.550 -7.445 1.00 0.00 C ATOM 327 OD1 ASN A 17 3.617 -26.518 -6.243 1.00 0.00 O ATOM 328 ND2 ASN A 17 2.847 -26.464 -8.312 1.00 0.00 N ATOM 0 H ASN A 17 6.567 -25.151 -6.624 1.00 0.00 H new ATOM 0 HA ASN A 17 5.924 -27.912 -6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.528 -25.734 -8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.186 -27.405 -8.857 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.887 -26.370 -7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.041 -26.492 -9.313 1.00 0.00 H new ATOM 335 N ASP A 18 7.260 -28.862 -8.583 1.00 0.00 N ATOM 336 CA ASP A 18 8.175 -29.505 -9.557 1.00 0.00 C ATOM 337 C ASP A 18 8.620 -28.577 -10.718 1.00 0.00 C ATOM 338 O ASP A 18 9.661 -28.810 -11.340 1.00 0.00 O ATOM 339 CB ASP A 18 7.471 -30.749 -10.124 1.00 0.00 C ATOM 340 CG ASP A 18 8.335 -31.533 -11.127 1.00 0.00 C ATOM 341 OD1 ASP A 18 9.384 -32.093 -10.726 1.00 0.00 O ATOM 342 OD2 ASP A 18 7.961 -31.597 -12.322 1.00 0.00 O1- ATOM 0 H ASP A 18 6.367 -29.349 -8.506 1.00 0.00 H new ATOM 0 HA ASP A 18 9.089 -29.763 -9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.194 -31.408 -9.301 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.546 -30.443 -10.613 1.00 0.00 H new ATOM 347 N PHE A 19 7.861 -27.501 -10.979 1.00 0.00 N ATOM 348 CA PHE A 19 8.179 -26.464 -11.959 1.00 0.00 C ATOM 349 C PHE A 19 7.902 -25.038 -11.459 1.00 0.00 C ATOM 350 O PHE A 19 6.811 -24.774 -10.954 1.00 0.00 O ATOM 351 CB PHE A 19 7.420 -26.748 -13.274 1.00 0.00 C ATOM 352 CG PHE A 19 7.714 -25.761 -14.359 1.00 0.00 C ATOM 353 CD1 PHE A 19 6.654 -25.134 -15.031 1.00 0.00 C ATOM 354 CD2 PHE A 19 9.051 -25.483 -14.692 1.00 0.00 C ATOM 355 CE1 PHE A 19 6.943 -24.227 -16.055 1.00 0.00 C ATOM 356 CE2 PHE A 19 9.333 -24.553 -15.693 1.00 0.00 C ATOM 357 CZ PHE A 19 8.277 -23.954 -16.389 1.00 0.00 C ATOM 0 H PHE A 19 6.980 -27.328 -10.494 1.00 0.00 H new ATOM 0 HA PHE A 19 9.254 -26.506 -12.134 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.677 -27.748 -13.624 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.349 -26.747 -13.073 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.630 -25.349 -14.761 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.855 -25.986 -14.176 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.141 -23.738 -16.587 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.356 -24.298 -15.928 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.493 -23.270 -17.197 1.00 0.00 H new ATOM 367 N MET A 20 8.852 -24.103 -11.651 1.00 0.00 N ATOM 368 CA MET A 20 8.679 -22.657 -11.435 1.00 0.00 C ATOM 369 C MET A 20 9.297 -21.817 -12.561 1.00 0.00 C ATOM 370 O MET A 20 10.289 -22.227 -13.163 1.00 0.00 O ATOM 371 CB MET A 20 9.220 -22.181 -10.073 1.00 0.00 C ATOM 372 CG MET A 20 8.839 -23.105 -8.935 1.00 0.00 C ATOM 373 SD MET A 20 9.037 -22.349 -7.316 1.00 0.00 S ATOM 374 CE MET A 20 7.510 -21.420 -7.232 1.00 0.00 C ATOM 0 H MET A 20 9.790 -24.343 -11.971 1.00 0.00 H new ATOM 0 HA MET A 20 7.600 -22.501 -11.439 1.00 0.00 H new ATOM 0 HB2 MET A 20 10.306 -22.105 -10.125 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.840 -21.181 -9.866 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.802 -23.416 -9.060 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.451 -24.006 -8.986 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.083 -21.512 -6.233 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.711 -20.370 -7.446 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.805 -21.811 -7.966 1.00 0.00 H new ATOM 384 N ILE A 21 8.739 -20.623 -12.802 1.00 0.00 N ATOM 385 CA ILE A 21 9.178 -19.650 -13.835 1.00 0.00 C ATOM 386 C ILE A 21 9.335 -18.285 -13.198 1.00 0.00 C ATOM 387 O ILE A 21 8.677 -18.037 -12.195 1.00 0.00 O ATOM 388 CB ILE A 21 8.193 -19.498 -15.026 1.00 0.00 C ATOM 389 CG1 ILE A 21 7.679 -20.848 -15.508 1.00 0.00 C ATOM 390 CG2 ILE A 21 8.673 -18.812 -16.345 1.00 0.00 C ATOM 391 CD1 ILE A 21 6.243 -20.673 -15.900 1.00 0.00 C ATOM 0 H ILE A 21 7.938 -20.287 -12.267 1.00 0.00 H new ATOM 0 HA ILE A 21 10.115 -20.041 -14.231 1.00 0.00 H new ATOM 0 HB ILE A 21 7.465 -18.841 -14.551 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.267 -21.201 -16.355 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.773 -21.596 -14.721 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.854 -18.794 -17.064 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.990 -17.791 -16.130 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.510 -19.371 -16.762 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.843 -21.624 -16.251 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.669 -20.334 -15.037 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.171 -19.933 -16.697 1.00 0.00 H new ATOM 403 N GLN A 22 10.123 -17.394 -13.790 1.00 0.00 N ATOM 404 CA GLN A 22 10.324 -16.028 -13.301 1.00 0.00 C ATOM 405 C GLN A 22 9.670 -15.001 -14.226 1.00 0.00 C ATOM 406 O GLN A 22 9.862 -15.050 -15.439 1.00 0.00 O ATOM 407 CB GLN A 22 11.838 -15.765 -13.175 1.00 0.00 C ATOM 408 CG GLN A 22 12.181 -14.276 -12.987 1.00 0.00 C ATOM 409 CD GLN A 22 13.591 -14.075 -12.448 1.00 0.00 C ATOM 410 OE1 GLN A 22 14.564 -14.153 -13.175 1.00 0.00 O ATOM 411 NE2 GLN A 22 13.781 -13.802 -11.181 1.00 0.00 N ATOM 0 H GLN A 22 10.651 -17.601 -14.638 1.00 0.00 H new ATOM 0 HA GLN A 22 9.849 -15.925 -12.325 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.229 -16.331 -12.330 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.340 -16.137 -14.068 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.081 -13.758 -13.941 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.464 -13.823 -12.302 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.983 -13.731 -10.549 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.727 -13.661 -10.826 1.00 0.00 H new ATOM 420 N CYS A 23 8.984 -14.014 -13.648 1.00 0.00 N ATOM 421 CA CYS A 23 8.455 -12.863 -14.359 1.00 0.00 C ATOM 422 C CYS A 23 9.582 -12.007 -14.909 1.00 0.00 C ATOM 423 O CYS A 23 10.486 -11.616 -14.178 1.00 0.00 O ATOM 424 CB CYS A 23 7.632 -12.038 -13.373 1.00 0.00 C ATOM 425 SG CYS A 23 6.885 -10.546 -14.083 1.00 0.00 S ATOM 0 H CYS A 23 8.779 -13.998 -12.649 1.00 0.00 H new ATOM 0 HA CYS A 23 7.842 -13.200 -15.195 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.841 -12.666 -12.964 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.271 -11.748 -12.539 1.00 0.00 H new ATOM 430 N GLU A 24 9.478 -11.634 -16.176 1.00 0.00 N ATOM 431 CA GLU A 24 10.477 -10.768 -16.815 1.00 0.00 C ATOM 432 C GLU A 24 10.419 -9.304 -16.323 1.00 0.00 C ATOM 433 O GLU A 24 11.395 -8.569 -16.475 1.00 0.00 O ATOM 434 CB GLU A 24 10.300 -10.884 -18.336 1.00 0.00 C ATOM 435 CG GLU A 24 8.960 -10.268 -18.800 1.00 0.00 C ATOM 436 CD GLU A 24 9.038 -8.827 -19.361 1.00 0.00 C ATOM 437 OE1 GLU A 24 7.993 -8.136 -19.357 1.00 0.00 O ATOM 438 OE2 GLU A 24 10.120 -8.378 -19.812 1.00 0.00 O1- ATOM 0 H GLU A 24 8.713 -11.915 -16.789 1.00 0.00 H new ATOM 0 HA GLU A 24 11.474 -11.105 -16.531 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.126 -10.381 -18.839 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.340 -11.933 -18.629 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.532 -10.913 -19.567 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.269 -10.272 -17.957 1.00 0.00 H new ATOM 445 N GLU A 25 9.304 -8.883 -15.711 1.00 0.00 N ATOM 446 CA GLU A 25 9.081 -7.478 -15.323 1.00 0.00 C ATOM 447 C GLU A 25 9.550 -7.162 -13.901 1.00 0.00 C ATOM 448 O GLU A 25 10.352 -6.250 -13.699 1.00 0.00 O ATOM 449 CB GLU A 25 7.598 -7.152 -15.492 1.00 0.00 C ATOM 450 CG GLU A 25 7.132 -5.707 -15.243 1.00 0.00 C ATOM 451 CD GLU A 25 8.040 -4.603 -15.829 1.00 0.00 C ATOM 452 OE1 GLU A 25 8.259 -3.575 -15.144 1.00 0.00 O ATOM 453 OE2 GLU A 25 8.535 -4.741 -16.973 1.00 0.00 O1- ATOM 0 H GLU A 25 8.531 -9.503 -15.470 1.00 0.00 H new ATOM 0 HA GLU A 25 9.685 -6.850 -15.978 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.313 -7.422 -16.509 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.037 -7.802 -14.820 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.132 -5.590 -15.660 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.049 -5.551 -14.167 1.00 0.00 H new ATOM 460 N CYS A 26 9.091 -7.965 -12.934 1.00 0.00 N ATOM 461 CA CYS A 26 9.397 -7.788 -11.522 1.00 0.00 C ATOM 462 C CYS A 26 10.243 -8.896 -10.869 1.00 0.00 C ATOM 463 O CYS A 26 10.444 -8.889 -9.654 1.00 0.00 O ATOM 464 CB CYS A 26 8.112 -7.623 -10.738 1.00 0.00 C ATOM 465 SG CYS A 26 7.070 -9.073 -10.499 1.00 0.00 S ATOM 0 H CYS A 26 8.488 -8.766 -13.120 1.00 0.00 H new ATOM 0 HA CYS A 26 10.019 -6.894 -11.488 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.370 -7.232 -9.754 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.513 -6.861 -11.236 1.00 0.00 H new ATOM 470 N GLN A 27 10.698 -9.875 -11.658 1.00 0.00 N ATOM 471 CA GLN A 27 11.536 -11.005 -11.238 1.00 0.00 C ATOM 472 C GLN A 27 10.868 -12.061 -10.341 1.00 0.00 C ATOM 473 O GLN A 27 11.532 -12.988 -9.872 1.00 0.00 O ATOM 474 CB GLN A 27 12.851 -10.512 -10.602 1.00 0.00 C ATOM 475 CG GLN A 27 14.169 -10.732 -11.379 1.00 0.00 C ATOM 476 CD GLN A 27 14.775 -9.428 -11.885 1.00 0.00 C ATOM 477 OE1 GLN A 27 15.757 -8.918 -11.366 1.00 0.00 O ATOM 478 NE2 GLN A 27 14.208 -8.839 -12.922 1.00 0.00 N ATOM 0 H GLN A 27 10.482 -9.903 -12.654 1.00 0.00 H new ATOM 0 HA GLN A 27 11.736 -11.534 -12.170 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.750 -9.443 -10.416 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.953 -10.997 -9.631 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.888 -11.236 -10.733 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.982 -11.394 -12.225 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.388 -9.258 -13.361 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.590 -7.965 -13.284 1.00 0.00 H new ATOM 487 N CYS A 28 9.573 -11.977 -10.071 1.00 0.00 N ATOM 488 CA CYS A 28 8.976 -12.919 -9.135 1.00 0.00 C ATOM 489 C CYS A 28 8.775 -14.297 -9.762 1.00 0.00 C ATOM 490 O CYS A 28 8.546 -14.400 -10.957 1.00 0.00 O ATOM 491 CB CYS A 28 7.679 -12.336 -8.603 1.00 0.00 C ATOM 492 SG CYS A 28 6.506 -12.033 -9.943 1.00 0.00 S ATOM 0 H CYS A 28 8.933 -11.291 -10.471 1.00 0.00 H new ATOM 0 HA CYS A 28 9.660 -13.072 -8.300 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.239 -13.021 -7.878 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.884 -11.404 -8.077 1.00 0.00 H new ATOM 0 HG CYS A 28 6.551 -10.779 -10.284 1.00 0.00 H new ATOM 498 N TRP A 29 8.814 -15.346 -8.952 1.00 0.00 N ATOM 499 CA TRP A 29 8.725 -16.735 -9.367 1.00 0.00 C ATOM 500 C TRP A 29 7.361 -17.369 -9.101 1.00 0.00 C ATOM 501 O TRP A 29 6.724 -17.055 -8.100 1.00 0.00 O ATOM 502 CB TRP A 29 9.860 -17.484 -8.681 1.00 0.00 C ATOM 503 CG TRP A 29 11.227 -17.290 -9.252 1.00 0.00 C ATOM 504 CD1 TRP A 29 12.063 -16.263 -8.978 1.00 0.00 C ATOM 505 CD2 TRP A 29 11.942 -18.140 -10.188 1.00 0.00 C ATOM 506 NE1 TRP A 29 13.265 -16.438 -9.649 1.00 0.00 N ATOM 507 CE2 TRP A 29 13.243 -17.600 -10.387 1.00 0.00 C ATOM 508 CE3 TRP A 29 11.621 -19.316 -10.891 1.00 0.00 C ATOM 509 CZ2 TRP A 29 14.179 -18.226 -11.209 1.00 0.00 C ATOM 510 CZ3 TRP A 29 12.559 -19.934 -11.739 1.00 0.00 C ATOM 511 CH2 TRP A 29 13.845 -19.403 -11.890 1.00 0.00 C ATOM 0 H TRP A 29 8.913 -15.245 -7.942 1.00 0.00 H new ATOM 0 HA TRP A 29 8.828 -16.794 -10.451 1.00 0.00 H new ATOM 0 HB2 TRP A 29 9.882 -17.185 -7.633 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.629 -18.549 -8.703 1.00 0.00 H new ATOM 0 HD1 TRP A 29 11.830 -15.429 -8.332 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.055 -15.795 -9.602 1.00 0.00 H new ATOM 0 HE3 TRP A 29 10.639 -19.751 -10.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.166 -17.801 -11.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 12.283 -20.828 -12.279 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.569 -19.894 -12.523 1.00 0.00 H new ATOM 522 N GLN A 30 6.883 -18.259 -9.974 1.00 0.00 N ATOM 523 CA GLN A 30 5.555 -18.861 -9.839 1.00 0.00 C ATOM 524 C GLN A 30 5.581 -20.289 -10.284 1.00 0.00 C ATOM 525 O GLN A 30 6.432 -20.661 -11.080 1.00 0.00 O ATOM 526 CB GLN A 30 4.515 -18.179 -10.739 1.00 0.00 C ATOM 527 CG GLN A 30 4.293 -16.733 -10.395 1.00 0.00 C ATOM 528 CD GLN A 30 5.419 -15.846 -10.862 1.00 0.00 C ATOM 529 OE1 GLN A 30 6.021 -16.016 -11.904 1.00 0.00 O ATOM 530 NE2 GLN A 30 5.755 -14.858 -10.103 1.00 0.00 N ATOM 0 H GLN A 30 7.403 -18.581 -10.790 1.00 0.00 H new ATOM 0 HA GLN A 30 5.289 -18.754 -8.787 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.838 -18.253 -11.777 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.569 -18.714 -10.660 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.359 -16.396 -10.845 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.181 -16.633 -9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.262 -14.699 -9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.514 -14.236 -10.382 1.00 0.00 H new ATOM 539 N HIS A 31 4.597 -21.067 -9.851 1.00 0.00 N ATOM 540 CA HIS A 31 4.402 -22.392 -10.411 1.00 0.00 C ATOM 541 C HIS A 31 3.860 -22.203 -11.808 1.00 0.00 C ATOM 542 O HIS A 31 2.770 -21.658 -11.975 1.00 0.00 O ATOM 543 CB HIS A 31 3.383 -23.206 -9.604 1.00 0.00 C ATOM 544 CG HIS A 31 3.539 -23.073 -8.114 1.00 0.00 C ATOM 545 ND1 HIS A 31 2.597 -22.667 -7.165 1.00 0.00 N ATOM 546 CD2 HIS A 31 4.705 -23.321 -7.473 1.00 0.00 C ATOM 547 CE1 HIS A 31 3.207 -22.673 -5.965 1.00 0.00 C ATOM 548 NE2 HIS A 31 4.481 -23.063 -6.134 1.00 0.00 N ATOM 0 H HIS A 31 3.931 -20.806 -9.124 1.00 0.00 H new ATOM 0 HA HIS A 31 5.349 -22.932 -10.397 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.378 -22.891 -9.884 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.475 -24.257 -9.877 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.629 -23.655 -7.920 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.749 -22.408 -5.024 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.174 -23.154 -5.391 1.00 0.00 H new ATOM 556 N GLY A 32 4.573 -22.668 -12.823 1.00 0.00 N ATOM 557 CA GLY A 32 4.096 -22.433 -14.182 1.00 0.00 C ATOM 558 C GLY A 32 2.703 -22.978 -14.453 1.00 0.00 C ATOM 559 O GLY A 32 1.885 -22.319 -15.089 1.00 0.00 O ATOM 0 H GLY A 32 5.447 -23.188 -12.743 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.099 -21.360 -14.376 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.795 -22.886 -14.885 1.00 0.00 H new ATOM 563 N VAL A 33 2.381 -24.126 -13.866 1.00 0.00 N ATOM 564 CA VAL A 33 1.089 -24.805 -14.083 1.00 0.00 C ATOM 565 C VAL A 33 -0.095 -24.009 -13.489 1.00 0.00 C ATOM 566 O VAL A 33 -1.238 -24.173 -13.910 1.00 0.00 O ATOM 567 CB VAL A 33 1.212 -26.246 -13.572 1.00 0.00 C ATOM 568 CG1 VAL A 33 1.327 -26.319 -12.044 1.00 0.00 C ATOM 569 CG2 VAL A 33 0.053 -27.137 -14.027 1.00 0.00 C ATOM 0 H VAL A 33 3.002 -24.620 -13.225 1.00 0.00 H new ATOM 0 HA VAL A 33 0.856 -24.849 -15.147 1.00 0.00 H new ATOM 0 HB VAL A 33 2.135 -26.621 -14.015 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.412 -27.361 -11.735 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.212 -25.771 -11.719 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.440 -25.877 -11.591 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.193 -28.145 -13.636 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.887 -26.730 -13.654 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.026 -27.171 -15.116 1.00 0.00 H new ATOM 579 N CYS A 34 0.187 -23.077 -12.566 1.00 0.00 N ATOM 580 CA CYS A 34 -0.763 -22.091 -12.026 1.00 0.00 C ATOM 581 C CYS A 34 -0.975 -20.891 -12.969 1.00 0.00 C ATOM 582 O CYS A 34 -2.031 -20.261 -12.979 1.00 0.00 O ATOM 583 CB CYS A 34 -0.211 -21.605 -10.698 1.00 0.00 C ATOM 584 SG CYS A 34 -0.192 -22.908 -9.454 1.00 0.00 S ATOM 0 H CYS A 34 1.118 -22.986 -12.160 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.735 -22.570 -11.910 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.801 -21.228 -10.843 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.813 -20.771 -10.339 1.00 0.00 H new ATOM 589 N MET A 35 0.069 -20.569 -13.736 1.00 0.00 N ATOM 590 CA MET A 35 0.179 -19.431 -14.653 1.00 0.00 C ATOM 591 C MET A 35 -0.178 -19.794 -16.116 1.00 0.00 C ATOM 592 O MET A 35 -0.268 -18.905 -16.964 1.00 0.00 O ATOM 593 CB MET A 35 1.618 -18.913 -14.547 1.00 0.00 C ATOM 594 CG MET A 35 2.026 -18.384 -13.164 1.00 0.00 C ATOM 595 SD MET A 35 1.415 -16.708 -12.839 1.00 0.00 S ATOM 596 CE MET A 35 -0.100 -17.026 -11.918 1.00 0.00 C ATOM 0 H MET A 35 0.918 -21.135 -13.733 1.00 0.00 H new ATOM 0 HA MET A 35 -0.542 -18.665 -14.369 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.298 -19.719 -14.824 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.754 -18.115 -15.277 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.646 -19.058 -12.396 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.113 -18.390 -13.085 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.829 -16.245 -12.135 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.507 -17.994 -12.211 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.118 -17.032 -10.850 1.00 0.00 H new ATOM 606 N GLY A 36 -0.385 -21.084 -16.426 1.00 0.00 N ATOM 607 CA GLY A 36 -0.655 -21.619 -17.766 1.00 0.00 C ATOM 608 C GLY A 36 0.585 -21.833 -18.625 1.00 0.00 C ATOM 609 O GLY A 36 0.510 -21.768 -19.854 1.00 0.00 O ATOM 0 H GLY A 36 -0.367 -21.815 -15.714 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.179 -22.569 -17.665 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.328 -20.938 -18.286 1.00 0.00 H new ATOM 613 N LEU A 37 1.731 -22.070 -17.979 1.00 0.00 N ATOM 614 CA LEU A 37 3.006 -22.327 -18.642 1.00 0.00 C ATOM 615 C LEU A 37 3.667 -23.594 -18.065 1.00 0.00 C ATOM 616 O LEU A 37 3.481 -23.956 -16.914 1.00 0.00 O ATOM 617 CB LEU A 37 3.954 -21.105 -18.535 1.00 0.00 C ATOM 618 CG LEU A 37 3.349 -19.682 -18.470 1.00 0.00 C ATOM 619 CD1 LEU A 37 3.816 -18.850 -17.277 1.00 0.00 C ATOM 620 CD2 LEU A 37 3.835 -18.902 -19.669 1.00 0.00 C ATOM 0 H LEU A 37 1.796 -22.088 -16.961 1.00 0.00 H new ATOM 0 HA LEU A 37 2.809 -22.495 -19.701 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.566 -21.242 -17.644 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.627 -21.136 -19.392 1.00 0.00 H new ATOM 0 HG LEU A 37 2.271 -19.832 -18.412 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.343 -17.869 -17.310 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.540 -19.355 -16.351 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.899 -18.732 -17.317 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.419 -17.895 -19.641 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.923 -18.845 -19.650 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.514 -19.402 -20.583 1.00 0.00 H new ATOM 632 N LEU A 38 4.455 -24.275 -18.876 1.00 0.00 N ATOM 633 CA LEU A 38 5.222 -25.478 -18.616 1.00 0.00 C ATOM 634 C LEU A 38 6.645 -25.239 -19.101 1.00 0.00 C ATOM 635 O LEU A 38 6.855 -24.340 -19.911 1.00 0.00 O ATOM 636 CB LEU A 38 4.549 -26.590 -19.426 1.00 0.00 C ATOM 637 CG LEU A 38 3.673 -27.567 -18.640 1.00 0.00 C ATOM 638 CD1 LEU A 38 4.615 -28.597 -18.029 1.00 0.00 C ATOM 639 CD2 LEU A 38 2.764 -26.944 -17.585 1.00 0.00 C ATOM 0 H LEU A 38 4.587 -23.964 -19.838 1.00 0.00 H new ATOM 0 HA LEU A 38 5.256 -25.746 -17.560 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.936 -26.127 -20.199 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.326 -27.161 -19.935 1.00 0.00 H new ATOM 0 HG LEU A 38 2.960 -28.012 -19.334 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.038 -29.322 -17.454 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.156 -29.111 -18.823 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.325 -28.096 -17.372 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.190 -27.728 -17.091 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.370 -26.418 -16.847 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.082 -26.240 -18.062 1.00 0.00 H new ATOM 651 N GLU A 39 7.592 -26.101 -18.738 1.00 0.00 N ATOM 652 CA GLU A 39 8.945 -26.061 -19.304 1.00 0.00 C ATOM 653 C GLU A 39 8.956 -26.191 -20.842 1.00 0.00 C ATOM 654 O GLU A 39 9.864 -25.663 -21.486 1.00 0.00 O ATOM 655 CB GLU A 39 9.838 -27.129 -18.641 1.00 0.00 C ATOM 656 CG GLU A 39 9.275 -28.556 -18.512 1.00 0.00 C ATOM 657 CD GLU A 39 9.060 -29.279 -19.855 1.00 0.00 C ATOM 658 OE1 GLU A 39 10.023 -29.393 -20.655 1.00 0.00 O ATOM 659 OE2 GLU A 39 7.921 -29.740 -20.111 1.00 0.00 O1- ATOM 0 H GLU A 39 7.449 -26.841 -18.051 1.00 0.00 H new ATOM 0 HA GLU A 39 9.356 -25.076 -19.083 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.768 -27.186 -19.206 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.094 -26.778 -17.641 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.955 -29.148 -17.899 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.324 -28.512 -17.981 1.00 0.00 H new ATOM 666 N GLU A 40 7.928 -26.806 -21.439 1.00 0.00 N ATOM 667 CA GLU A 40 7.761 -26.802 -22.905 1.00 0.00 C ATOM 668 C GLU A 40 7.447 -25.410 -23.482 1.00 0.00 C ATOM 669 O GLU A 40 7.931 -25.075 -24.567 1.00 0.00 O ATOM 670 CB GLU A 40 6.702 -27.801 -23.411 1.00 0.00 C ATOM 671 CG GLU A 40 5.341 -27.777 -22.699 1.00 0.00 C ATOM 672 CD GLU A 40 4.193 -28.431 -23.505 1.00 0.00 C ATOM 673 OE1 GLU A 40 4.438 -29.108 -24.537 1.00 0.00 O ATOM 674 OE2 GLU A 40 3.015 -28.277 -23.100 1.00 0.00 O1- ATOM 0 H GLU A 40 7.200 -27.312 -20.935 1.00 0.00 H new ATOM 0 HA GLU A 40 8.738 -27.120 -23.270 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.535 -27.613 -24.472 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.114 -28.807 -23.326 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.435 -28.289 -21.741 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.075 -26.742 -22.483 1.00 0.00 H new ATOM 681 N ASN A 41 6.643 -24.607 -22.779 1.00 0.00 N ATOM 682 CA ASN A 41 6.115 -23.347 -23.307 1.00 0.00 C ATOM 683 C ASN A 41 6.836 -22.074 -22.833 1.00 0.00 C ATOM 684 O ASN A 41 6.406 -20.997 -23.240 1.00 0.00 O ATOM 685 CB ASN A 41 4.621 -23.230 -22.971 1.00 0.00 C ATOM 686 CG ASN A 41 3.668 -24.296 -23.471 1.00 0.00 C ATOM 687 OD1 ASN A 41 3.950 -25.079 -24.366 1.00 0.00 O ATOM 688 ND2 ASN A 41 2.486 -24.338 -22.888 1.00 0.00 N ATOM 0 H ASN A 41 6.340 -24.813 -21.827 1.00 0.00 H new ATOM 0 HA ASN A 41 6.289 -23.400 -24.382 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.530 -23.191 -21.885 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.272 -22.271 -23.354 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.796 -25.029 -23.183 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.262 -23.680 -22.142 1.00 0.00 H new ATOM 695 N VAL A 42 7.894 -22.147 -22.004 1.00 0.00 N ATOM 696 CA VAL A 42 8.492 -20.961 -21.335 1.00 0.00 C ATOM 697 C VAL A 42 8.853 -19.895 -22.376 1.00 0.00 C ATOM 698 O VAL A 42 9.746 -20.113 -23.205 1.00 0.00 O ATOM 699 CB VAL A 42 9.767 -21.308 -20.547 1.00 0.00 C ATOM 700 CG1 VAL A 42 10.489 -20.076 -19.976 1.00 0.00 C ATOM 701 CG2 VAL A 42 9.441 -22.252 -19.413 1.00 0.00 C ATOM 0 H VAL A 42 8.362 -23.024 -21.775 1.00 0.00 H new ATOM 0 HA VAL A 42 7.742 -20.590 -20.637 1.00 0.00 H new ATOM 0 HB VAL A 42 10.441 -21.779 -21.262 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.379 -20.395 -19.433 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.780 -19.414 -20.792 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.821 -19.545 -19.298 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.352 -22.489 -18.864 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.725 -21.780 -18.741 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.011 -23.169 -19.815 1.00 0.00 H new ATOM 711 N PRO A 43 8.158 -18.742 -22.345 1.00 0.00 N ATOM 712 CA PRO A 43 8.416 -17.652 -23.268 1.00 0.00 C ATOM 713 C PRO A 43 9.657 -16.855 -22.855 1.00 0.00 C ATOM 714 O PRO A 43 10.150 -16.945 -21.728 1.00 0.00 O ATOM 715 CB PRO A 43 7.127 -16.822 -23.233 1.00 0.00 C ATOM 716 CG PRO A 43 6.601 -17.002 -21.818 1.00 0.00 C ATOM 717 CD PRO A 43 7.014 -18.433 -21.485 1.00 0.00 C ATOM 0 HA PRO A 43 8.643 -17.990 -24.279 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.324 -15.773 -23.454 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.407 -17.174 -23.972 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.042 -16.283 -21.128 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.520 -16.871 -21.768 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.283 -18.525 -20.433 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.193 -19.127 -21.666 1.00 0.00 H new ATOM 725 N GLU A 44 10.133 -15.995 -23.751 1.00 0.00 N ATOM 726 CA GLU A 44 11.248 -15.087 -23.439 1.00 0.00 C ATOM 727 C GLU A 44 10.754 -13.968 -22.519 1.00 0.00 C ATOM 728 O GLU A 44 11.470 -13.559 -21.604 1.00 0.00 O ATOM 729 CB GLU A 44 11.884 -14.520 -24.724 1.00 0.00 C ATOM 730 CG GLU A 44 13.072 -15.338 -25.264 1.00 0.00 C ATOM 731 CD GLU A 44 14.401 -15.061 -24.522 1.00 0.00 C ATOM 732 OE1 GLU A 44 14.424 -15.040 -23.266 1.00 0.00 O ATOM 733 OE2 GLU A 44 15.441 -14.863 -25.197 1.00 0.00 O1- ATOM 0 H GLU A 44 9.769 -15.903 -24.699 1.00 0.00 H new ATOM 0 HA GLU A 44 12.026 -15.648 -22.921 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.118 -14.461 -25.498 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.219 -13.501 -24.529 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.837 -16.400 -25.187 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.204 -15.117 -26.323 1.00 0.00 H new ATOM 740 N LYS A 45 9.485 -13.565 -22.667 1.00 0.00 N ATOM 741 CA LYS A 45 8.828 -12.588 -21.810 1.00 0.00 C ATOM 742 C LYS A 45 7.461 -13.030 -21.297 1.00 0.00 C ATOM 743 O LYS A 45 6.412 -12.652 -21.816 1.00 0.00 O ATOM 744 CB LYS A 45 8.700 -11.252 -22.536 1.00 0.00 C ATOM 745 CG LYS A 45 10.011 -10.463 -22.709 1.00 0.00 C ATOM 746 CD LYS A 45 9.711 -9.033 -23.193 1.00 0.00 C ATOM 747 CE LYS A 45 10.948 -8.128 -23.331 1.00 0.00 C ATOM 748 NZ LYS A 45 11.705 -8.001 -22.053 1.00 0.00 N1+ ATOM 0 H LYS A 45 8.879 -13.922 -23.405 1.00 0.00 H new ATOM 0 HA LYS A 45 9.466 -12.485 -20.932 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.273 -11.434 -23.522 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.991 -10.629 -21.991 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.551 -10.429 -21.763 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.657 -10.970 -23.426 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.209 -9.089 -24.159 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.013 -8.567 -22.497 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.606 -8.531 -24.101 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.635 -7.139 -23.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.999 -7.012 -21.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.098 -8.291 -21.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.547 -8.611 -22.086 1.00 0.00 H new ATOM 762 N TYR A 46 7.500 -13.834 -20.241 1.00 0.00 N ATOM 763 CA TYR A 46 6.292 -14.124 -19.469 1.00 0.00 C ATOM 764 C TYR A 46 6.101 -12.993 -18.444 1.00 0.00 C ATOM 765 O TYR A 46 6.995 -12.681 -17.654 1.00 0.00 O ATOM 766 CB TYR A 46 6.345 -15.520 -18.806 1.00 0.00 C ATOM 767 CG TYR A 46 5.749 -15.558 -17.430 1.00 0.00 C ATOM 768 CD1 TYR A 46 4.355 -15.567 -17.263 1.00 0.00 C ATOM 769 CD2 TYR A 46 6.611 -15.555 -16.326 1.00 0.00 C ATOM 770 CE1 TYR A 46 3.821 -15.505 -15.962 1.00 0.00 C ATOM 771 CE2 TYR A 46 6.082 -15.540 -15.030 1.00 0.00 C ATOM 772 CZ TYR A 46 4.686 -15.497 -14.857 1.00 0.00 C ATOM 773 OH TYR A 46 4.170 -15.441 -13.615 1.00 0.00 O ATOM 0 H TYR A 46 8.344 -14.294 -19.900 1.00 0.00 H new ATOM 0 HA TYR A 46 5.429 -14.160 -20.134 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.819 -16.234 -19.440 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.383 -15.847 -18.752 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.701 -15.621 -18.121 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.681 -15.564 -16.474 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.752 -15.464 -15.815 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.738 -15.561 -14.172 1.00 0.00 H new ATOM 0 HH TYR A 46 3.304 -15.899 -13.600 1.00 0.00 H new ATOM 783 N THR A 47 4.920 -12.384 -18.477 1.00 0.00 N ATOM 784 CA THR A 47 4.428 -11.439 -17.476 1.00 0.00 C ATOM 785 C THR A 47 3.541 -12.144 -16.453 1.00 0.00 C ATOM 786 O THR A 47 2.688 -12.954 -16.808 1.00 0.00 O ATOM 787 CB THR A 47 3.613 -10.321 -18.129 1.00 0.00 C ATOM 788 OG1 THR A 47 2.805 -10.809 -19.185 1.00 0.00 O ATOM 789 CG2 THR A 47 4.480 -9.173 -18.618 1.00 0.00 C ATOM 0 H THR A 47 4.252 -12.540 -19.231 1.00 0.00 H new ATOM 0 HA THR A 47 5.301 -11.015 -16.980 1.00 0.00 H new ATOM 0 HB THR A 47 2.962 -9.930 -17.347 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.297 -10.068 -19.578 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.849 -8.409 -19.072 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.023 -8.743 -17.776 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.191 -9.543 -19.357 1.00 0.00 H new ATOM 797 N CYS A 48 3.700 -11.786 -15.177 1.00 0.00 N ATOM 798 CA CYS A 48 2.980 -12.408 -14.067 1.00 0.00 C ATOM 799 C CYS A 48 1.711 -11.631 -13.822 1.00 0.00 C ATOM 800 O CYS A 48 1.761 -10.423 -13.935 1.00 0.00 O ATOM 801 CB CYS A 48 3.866 -12.405 -12.799 1.00 0.00 C ATOM 802 SG CYS A 48 3.905 -10.880 -11.787 1.00 0.00 S ATOM 0 H CYS A 48 4.340 -11.048 -14.884 1.00 0.00 H new ATOM 0 HA CYS A 48 2.735 -13.442 -14.311 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.537 -13.223 -12.159 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.888 -12.630 -13.104 1.00 0.00 H new ATOM 807 N TYR A 49 0.612 -12.255 -13.432 1.00 0.00 N ATOM 808 CA TYR A 49 -0.602 -11.600 -12.956 1.00 0.00 C ATOM 809 C TYR A 49 -0.395 -10.294 -12.147 1.00 0.00 C ATOM 810 O TYR A 49 -1.016 -9.281 -12.448 1.00 0.00 O ATOM 811 CB TYR A 49 -1.361 -12.637 -12.153 1.00 0.00 C ATOM 812 CG TYR A 49 -0.806 -12.930 -10.768 1.00 0.00 C ATOM 813 CD1 TYR A 49 0.439 -13.574 -10.618 1.00 0.00 C ATOM 814 CD2 TYR A 49 -1.535 -12.542 -9.626 1.00 0.00 C ATOM 815 CE1 TYR A 49 0.963 -13.799 -9.333 1.00 0.00 C ATOM 816 CE2 TYR A 49 -1.013 -12.769 -8.337 1.00 0.00 C ATOM 817 CZ TYR A 49 0.250 -13.383 -8.189 1.00 0.00 C ATOM 818 OH TYR A 49 0.787 -13.573 -6.952 1.00 0.00 O ATOM 0 H TYR A 49 0.535 -13.272 -13.437 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.159 -11.252 -13.826 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.394 -12.305 -12.048 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.381 -13.567 -12.721 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.990 -13.894 -11.490 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.499 -12.068 -9.739 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.917 -14.293 -9.221 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.577 -12.474 -7.465 1.00 0.00 H new ATOM 0 HH TYR A 49 0.171 -13.230 -6.272 1.00 0.00 H new ATOM 828 N VAL A 50 0.546 -10.250 -11.194 1.00 0.00 N ATOM 829 CA VAL A 50 0.866 -9.040 -10.413 1.00 0.00 C ATOM 830 C VAL A 50 1.297 -7.862 -11.321 1.00 0.00 C ATOM 831 O VAL A 50 0.999 -6.708 -11.005 1.00 0.00 O ATOM 832 CB VAL A 50 1.879 -9.397 -9.289 1.00 0.00 C ATOM 833 CG1 VAL A 50 2.930 -8.326 -8.992 1.00 0.00 C ATOM 834 CG2 VAL A 50 1.170 -9.761 -7.982 1.00 0.00 C ATOM 0 H VAL A 50 1.113 -11.058 -10.939 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.034 -8.675 -9.917 1.00 0.00 H new ATOM 0 HB VAL A 50 2.411 -10.258 -9.693 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.587 -8.672 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.519 -8.135 -9.889 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.434 -7.406 -8.681 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.912 -10.004 -7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.569 -8.916 -7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.523 -10.623 -8.147 1.00 0.00 H new ATOM 844 N CYS A 51 1.942 -8.143 -12.464 1.00 0.00 N ATOM 845 CA CYS A 51 2.221 -7.206 -13.543 1.00 0.00 C ATOM 846 C CYS A 51 1.098 -7.207 -14.597 1.00 0.00 C ATOM 847 O CYS A 51 0.478 -6.157 -14.788 1.00 0.00 O ATOM 848 CB CYS A 51 3.584 -7.500 -14.172 1.00 0.00 C ATOM 849 SG CYS A 51 4.956 -7.348 -13.013 1.00 0.00 S ATOM 0 H CYS A 51 2.297 -9.078 -12.662 1.00 0.00 H new ATOM 0 HA CYS A 51 2.257 -6.203 -13.118 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.576 -8.509 -14.583 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.746 -6.817 -15.006 1.00 0.00 H new ATOM 854 N GLN A 52 0.815 -8.334 -15.289 1.00 0.00 N ATOM 855 CA GLN A 52 -0.234 -8.337 -16.316 1.00 0.00 C ATOM 856 C GLN A 52 -1.689 -8.299 -15.796 1.00 0.00 C ATOM 857 O GLN A 52 -2.416 -7.373 -16.172 1.00 0.00 O ATOM 858 CB GLN A 52 -0.007 -9.466 -17.333 1.00 0.00 C ATOM 859 CG GLN A 52 0.148 -10.877 -16.770 1.00 0.00 C ATOM 860 CD GLN A 52 -0.733 -11.924 -17.454 1.00 0.00 C ATOM 861 OE1 GLN A 52 -1.881 -12.130 -17.089 1.00 0.00 O ATOM 862 NE2 GLN A 52 -0.258 -12.631 -18.459 1.00 0.00 N ATOM 0 H GLN A 52 1.288 -9.228 -15.156 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.127 -7.378 -16.823 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.844 -9.468 -18.031 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.888 -9.230 -17.909 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.191 -11.180 -16.861 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.087 -10.860 -15.706 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.697 -12.479 -18.783 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.845 -13.331 -18.913 1.00 0.00 H new ATOM 871 N ASP A 53 -2.134 -9.276 -14.991 1.00 0.00 N ATOM 872 CA ASP A 53 -3.546 -9.386 -14.520 1.00 0.00 C ATOM 873 C ASP A 53 -3.853 -10.357 -13.346 1.00 0.00 C ATOM 874 O ASP A 53 -4.105 -11.562 -13.596 1.00 0.00 O ATOM 875 CB ASP A 53 -4.461 -9.774 -15.704 1.00 0.00 C ATOM 876 CG ASP A 53 -5.980 -9.695 -15.423 1.00 0.00 C ATOM 877 OD1 ASP A 53 -6.758 -10.319 -16.187 1.00 0.00 O ATOM 878 OD2 ASP A 53 -6.422 -9.015 -14.461 1.00 0.00 O1- ATOM 879 OXT ASP A 53 -3.944 -9.893 -12.184 1.00 0.00 O1- ATOM 0 H ASP A 53 -1.532 -10.021 -14.640 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.740 -8.392 -14.116 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.231 -9.123 -16.547 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.218 -10.791 -16.011 1.00 0.00 H new TER 884 ASP A 53 ATOM 885 N ALA C 1 12.367 -15.418 -19.643 1.00 0.00 N ATOM 886 CA ALA C 1 11.748 -15.796 -18.334 1.00 0.00 C ATOM 887 C ALA C 1 12.611 -16.912 -17.691 1.00 0.00 C ATOM 888 O ALA C 1 12.693 -17.994 -18.267 1.00 0.00 O ATOM 889 CB ALA C 1 10.278 -16.267 -18.521 1.00 0.00 C ATOM 0 H1 ALA C 1 11.765 -14.718 -20.122 1.00 0.00 H new ATOM 0 H2 ALA C 1 13.309 -15.009 -19.477 1.00 0.00 H new ATOM 0 H3 ALA C 1 12.458 -16.264 -20.241 1.00 0.00 H new ATOM 0 HA ALA C 1 11.720 -14.926 -17.678 1.00 0.00 H new ATOM 0 HB1 ALA C 1 9.856 -16.535 -17.552 1.00 0.00 H new ATOM 0 HB2 ALA C 1 9.691 -15.462 -18.963 1.00 0.00 H new ATOM 0 HB3 ALA C 1 10.255 -17.135 -19.179 1.00 0.00 H new ATOM 897 N ARG C 2 13.297 -16.676 -16.554 1.00 0.00 N ATOM 898 CA ARG C 2 14.145 -17.697 -15.864 1.00 0.00 C ATOM 899 C ARG C 2 13.305 -18.916 -15.458 1.00 0.00 C ATOM 900 O ARG C 2 12.115 -18.760 -15.197 1.00 0.00 O ATOM 901 CB ARG C 2 14.831 -17.061 -14.628 1.00 0.00 C ATOM 902 CG ARG C 2 16.235 -17.550 -14.244 1.00 0.00 C ATOM 903 CD ARG C 2 16.807 -16.651 -13.122 1.00 0.00 C ATOM 904 NE ARG C 2 17.632 -15.560 -13.682 1.00 0.00 N ATOM 905 CZ ARG C 2 17.940 -14.410 -13.109 1.00 0.00 C ATOM 906 NH1 ARG C 2 17.524 -14.077 -11.923 1.00 0.00 N1+ ATOM 907 NH2 ARG C 2 18.695 -13.550 -13.735 1.00 0.00 N ATOM 0 H ARG C 2 13.285 -15.773 -16.079 1.00 0.00 H new ATOM 0 HA ARG C 2 14.916 -18.040 -16.554 1.00 0.00 H new ATOM 0 HB2 ARG C 2 14.888 -15.985 -14.796 1.00 0.00 H new ATOM 0 HB3 ARG C 2 14.178 -17.216 -13.769 1.00 0.00 H new ATOM 0 HG2 ARG C 2 16.191 -18.586 -13.908 1.00 0.00 H new ATOM 0 HG3 ARG C 2 16.891 -17.525 -15.114 1.00 0.00 H new ATOM 0 HD2 ARG C 2 15.989 -16.229 -12.537 1.00 0.00 H new ATOM 0 HD3 ARG C 2 17.409 -17.253 -12.441 1.00 0.00 H new ATOM 0 HE ARG C 2 18.007 -15.712 -14.618 1.00 0.00 H new ATOM 0 HH11 ARG C 2 16.932 -14.716 -11.392 1.00 0.00 H new ATOM 0 HH12 ARG C 2 17.789 -13.177 -11.524 1.00 0.00 H new ATOM 0 HH21 ARG C 2 19.048 -13.765 -14.667 1.00 0.00 H new ATOM 0 HH22 ARG C 2 18.932 -12.662 -13.292 1.00 0.00 H new ATOM 921 N THR C 3 13.907 -20.101 -15.353 1.00 0.00 N ATOM 922 CA THR C 3 13.212 -21.349 -14.957 1.00 0.00 C ATOM 923 C THR C 3 14.072 -22.319 -14.143 1.00 0.00 C ATOM 924 O THR C 3 15.301 -22.306 -14.243 1.00 0.00 O ATOM 925 CB THR C 3 12.585 -22.090 -16.152 1.00 0.00 C ATOM 926 OG1 THR C 3 13.360 -22.007 -17.336 1.00 0.00 O ATOM 927 CG2 THR C 3 11.194 -21.529 -16.433 1.00 0.00 C ATOM 0 H THR C 3 14.901 -20.234 -15.540 1.00 0.00 H new ATOM 0 HA THR C 3 12.414 -20.999 -14.302 1.00 0.00 H new ATOM 0 HB THR C 3 12.536 -23.142 -15.870 1.00 0.00 H new ATOM 0 HG1 THR C 3 12.911 -22.497 -18.056 1.00 0.00 H new ATOM 0 HG21 THR C 3 10.753 -22.056 -17.279 1.00 0.00 H new ATOM 0 HG22 THR C 3 10.563 -21.663 -15.554 1.00 0.00 H new ATOM 0 HG23 THR C 3 11.270 -20.467 -16.667 1.00 0.00 H new HETATM 935 N MLY C 4 13.397 -23.152 -13.335 1.00 0.00 N HETATM 936 CA MLY C 4 14.004 -24.080 -12.381 1.00 0.00 C HETATM 937 CB MLY C 4 14.251 -23.339 -11.045 1.00 0.00 C HETATM 938 CG MLY C 4 12.945 -23.037 -10.303 1.00 0.00 C HETATM 939 CD MLY C 4 13.100 -21.949 -9.222 1.00 0.00 C HETATM 940 CE MLY C 4 13.455 -22.528 -7.839 1.00 0.00 C HETATM 941 NZ MLY C 4 13.624 -21.468 -6.795 1.00 0.00 N HETATM 942 CH1 MLY C 4 12.344 -20.748 -6.496 1.00 0.00 C HETATM 943 CH2 MLY C 4 14.141 -22.090 -5.542 1.00 0.00 C HETATM 944 C MLY C 4 13.125 -25.321 -12.184 1.00 0.00 C HETATM 945 O MLY C 4 11.916 -25.280 -12.423 1.00 0.00 O HETATM 0 HH23 MLY C 4 13.433 -22.840 -5.189 1.00 0.00 H new HETATM 0 HH22 MLY C 4 15.103 -22.563 -5.741 1.00 0.00 H new HETATM 0 HH21 MLY C 4 14.266 -21.322 -4.779 1.00 0.00 H new HETATM 0 HH13 MLY C 4 11.975 -20.269 -7.403 1.00 0.00 H new HETATM 0 HH12 MLY C 4 11.602 -21.460 -6.134 1.00 0.00 H new HETATM 0 HH11 MLY C 4 12.522 -19.990 -5.733 1.00 0.00 H new HETATM 0 HG3 MLY C 4 12.190 -22.720 -11.023 1.00 0.00 H new HETATM 0 HG2 MLY C 4 12.578 -23.952 -9.838 1.00 0.00 H new HETATM 0 HE3 MLY C 4 12.671 -23.218 -7.527 1.00 0.00 H new HETATM 0 HE2 MLY C 4 14.376 -23.106 -7.917 1.00 0.00 H new HETATM 0 HD3 MLY C 4 13.877 -21.248 -9.527 1.00 0.00 H new HETATM 0 HD2 MLY C 4 12.171 -21.383 -9.147 1.00 0.00 H new HETATM 0 HB3 MLY C 4 14.897 -23.945 -10.409 1.00 0.00 H new HETATM 0 HB2 MLY C 4 14.780 -22.406 -11.241 1.00 0.00 H new HETATM 0 HA MLY C 4 14.959 -24.430 -12.772 1.00 0.00 H new ATOM 963 N GLN C 5 13.737 -26.405 -11.687 1.00 0.00 N ATOM 964 CA GLN C 5 13.066 -27.648 -11.280 1.00 0.00 C ATOM 965 C GLN C 5 13.685 -28.223 -9.992 1.00 0.00 C ATOM 966 O GLN C 5 14.880 -28.037 -9.731 1.00 0.00 O ATOM 967 CB GLN C 5 13.138 -28.711 -12.393 1.00 0.00 C ATOM 968 CG GLN C 5 12.572 -28.278 -13.757 1.00 0.00 C ATOM 969 CD GLN C 5 12.004 -29.451 -14.556 1.00 0.00 C ATOM 970 OE1 GLN C 5 12.525 -29.840 -15.594 1.00 0.00 O ATOM 971 NE2 GLN C 5 10.923 -30.055 -14.098 1.00 0.00 N ATOM 0 H GLN C 5 14.747 -26.442 -11.553 1.00 0.00 H new ATOM 0 HA GLN C 5 12.022 -27.397 -11.092 1.00 0.00 H new ATOM 0 HB2 GLN C 5 14.180 -29.002 -12.527 1.00 0.00 H new ATOM 0 HB3 GLN C 5 12.599 -29.598 -12.060 1.00 0.00 H new ATOM 0 HG2 GLN C 5 11.789 -27.535 -13.602 1.00 0.00 H new ATOM 0 HG3 GLN C 5 13.359 -27.796 -14.336 1.00 0.00 H new ATOM 0 HE21 GLN C 5 10.487 -29.734 -13.234 1.00 0.00 H new ATOM 0 HE22 GLN C 5 10.524 -30.843 -14.608 1.00 0.00 H new ATOM 980 N THR C 6 12.898 -28.955 -9.201 1.00 0.00 N ATOM 981 CA THR C 6 13.365 -29.671 -7.994 1.00 0.00 C ATOM 982 C THR C 6 14.059 -31.008 -8.323 1.00 0.00 C ATOM 983 O THR C 6 13.871 -31.573 -9.405 1.00 0.00 O ATOM 984 CB THR C 6 12.209 -29.908 -7.003 1.00 0.00 C ATOM 985 OG1 THR C 6 11.178 -30.674 -7.592 1.00 0.00 O ATOM 986 CG2 THR C 6 11.601 -28.598 -6.497 1.00 0.00 C ATOM 0 H THR C 6 11.900 -29.074 -9.377 1.00 0.00 H new ATOM 0 HA THR C 6 14.108 -29.024 -7.528 1.00 0.00 H new ATOM 0 HB THR C 6 12.644 -30.448 -6.162 1.00 0.00 H new ATOM 0 HG1 THR C 6 10.459 -30.810 -6.940 1.00 0.00 H new ATOM 0 HG21 THR C 6 10.791 -28.818 -5.802 1.00 0.00 H new ATOM 0 HG22 THR C 6 12.368 -28.014 -5.988 1.00 0.00 H new ATOM 0 HG23 THR C 6 11.211 -28.028 -7.340 1.00 0.00 H new ATOM 994 N ALA C 7 14.854 -31.509 -7.362 1.00 0.00 N ATOM 995 CA ALA C 7 15.640 -32.757 -7.399 1.00 0.00 C ATOM 996 C ALA C 7 16.749 -32.833 -8.479 1.00 0.00 C ATOM 997 O ALA C 7 16.753 -32.099 -9.469 1.00 0.00 O ATOM 998 CB ALA C 7 14.688 -33.967 -7.403 1.00 0.00 C ATOM 0 H ALA C 7 14.974 -31.019 -6.476 1.00 0.00 H new ATOM 0 HA ALA C 7 16.231 -32.772 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA C 7 15.270 -34.888 -7.430 1.00 0.00 H new ATOM 0 HB2 ALA C 7 14.076 -33.951 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA C 7 14.043 -33.919 -8.280 1.00 0.00 H new ATOM 1004 N ARG C 8 17.737 -33.715 -8.260 1.00 0.00 N ATOM 1005 CA ARG C 8 18.930 -33.914 -9.124 1.00 0.00 C ATOM 1006 C ARG C 8 19.254 -35.405 -9.361 1.00 0.00 C ATOM 1007 O ARG C 8 20.413 -35.784 -9.551 1.00 0.00 O ATOM 1008 CB ARG C 8 20.131 -33.124 -8.551 1.00 0.00 C ATOM 1009 CG ARG C 8 19.953 -31.597 -8.479 1.00 0.00 C ATOM 1010 CD ARG C 8 19.837 -30.934 -9.860 1.00 0.00 C ATOM 1011 NE ARG C 8 19.660 -29.471 -9.749 1.00 0.00 N ATOM 1012 CZ ARG C 8 18.523 -28.794 -9.715 1.00 0.00 C ATOM 1013 NH1 ARG C 8 17.359 -29.374 -9.770 1.00 0.00 N1+ ATOM 1014 NH2 ARG C 8 18.527 -27.497 -9.623 1.00 0.00 N ATOM 0 H ARG C 8 17.735 -34.335 -7.450 1.00 0.00 H new ATOM 0 HA ARG C 8 18.703 -33.516 -10.113 1.00 0.00 H new ATOM 0 HB2 ARG C 8 20.340 -33.494 -7.547 1.00 0.00 H new ATOM 0 HB3 ARG C 8 21.009 -33.341 -9.160 1.00 0.00 H new ATOM 0 HG2 ARG C 8 19.059 -31.369 -7.898 1.00 0.00 H new ATOM 0 HG3 ARG C 8 20.799 -31.164 -7.946 1.00 0.00 H new ATOM 0 HD2 ARG C 8 20.732 -31.149 -10.444 1.00 0.00 H new ATOM 0 HD3 ARG C 8 18.993 -31.363 -10.400 1.00 0.00 H new ATOM 0 HE ARG C 8 20.515 -28.918 -9.692 1.00 0.00 H new ATOM 0 HH11 ARG C 8 17.298 -30.390 -9.842 1.00 0.00 H new ATOM 0 HH12 ARG C 8 16.508 -28.813 -9.741 1.00 0.00 H new ATOM 0 HH21 ARG C 8 19.412 -26.992 -9.576 1.00 0.00 H new ATOM 0 HH22 ARG C 8 17.645 -26.985 -9.598 1.00 0.00 H new ATOM 1028 N LYS C 9 18.226 -36.264 -9.311 1.00 0.00 N ATOM 1029 CA LYS C 9 18.321 -37.728 -9.496 1.00 0.00 C ATOM 1030 C LYS C 9 18.618 -38.118 -10.958 1.00 0.00 C ATOM 1031 O LYS C 9 18.299 -37.367 -11.886 1.00 0.00 O ATOM 1032 CB LYS C 9 17.029 -38.409 -8.999 1.00 0.00 C ATOM 1033 CG LYS C 9 16.831 -38.253 -7.481 1.00 0.00 C ATOM 1034 CD LYS C 9 15.518 -38.883 -6.978 1.00 0.00 C ATOM 1035 CE LYS C 9 15.409 -40.409 -7.156 1.00 0.00 C ATOM 1036 NZ LYS C 9 16.341 -41.162 -6.268 1.00 0.00 N1+ ATOM 0 H LYS C 9 17.271 -35.953 -9.135 1.00 0.00 H new ATOM 0 HA LYS C 9 19.164 -38.079 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS C 9 16.172 -37.982 -9.520 1.00 0.00 H new ATOM 0 HB3 LYS C 9 17.060 -39.469 -9.252 1.00 0.00 H new ATOM 0 HG2 LYS C 9 17.671 -38.714 -6.961 1.00 0.00 H new ATOM 0 HG3 LYS C 9 16.840 -37.193 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS C 9 15.404 -38.648 -5.920 1.00 0.00 H new ATOM 0 HD3 LYS C 9 14.685 -38.413 -7.501 1.00 0.00 H new ATOM 0 HE2 LYS C 9 14.385 -40.722 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS C 9 15.618 -40.665 -8.195 1.00 0.00 H new ATOM 0 HZ1 LYS C 9 16.225 -42.183 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS C 9 17.321 -40.887 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS C 9 16.127 -40.942 -5.274 1.00 0.00 H new ATOM 1050 N SER C 10 19.178 -39.315 -11.151 1.00 0.00 N ATOM 1051 CA SER C 10 19.562 -39.886 -12.458 1.00 0.00 C ATOM 1052 C SER C 10 19.292 -41.398 -12.526 1.00 0.00 C ATOM 1053 O SER C 10 19.270 -42.079 -11.494 1.00 0.00 O ATOM 1054 CB SER C 10 21.050 -39.629 -12.749 1.00 0.00 C ATOM 1055 OG SER C 10 21.361 -38.241 -12.758 1.00 0.00 O ATOM 0 H SER C 10 19.387 -39.943 -10.375 1.00 0.00 H new ATOM 0 HA SER C 10 18.948 -39.390 -13.210 1.00 0.00 H new ATOM 0 HB2 SER C 10 21.658 -40.132 -11.997 1.00 0.00 H new ATOM 0 HB3 SER C 10 21.311 -40.065 -13.713 1.00 0.00 H new ATOM 0 HG SER C 10 22.316 -38.121 -12.945 1.00 0.00 H new ATOM 1061 N THR C 11 19.104 -41.930 -13.744 1.00 0.00 N ATOM 1062 CA THR C 11 18.947 -43.377 -14.020 1.00 0.00 C ATOM 1063 C THR C 11 20.282 -44.122 -13.883 1.00 0.00 C ATOM 1064 O THR C 11 20.338 -45.117 -13.124 1.00 0.00 O ATOM 1065 CB THR C 11 18.341 -43.614 -15.410 1.00 0.00 C ATOM 1066 OG1 THR C 11 17.043 -43.048 -15.451 1.00 0.00 O ATOM 1067 CG2 THR C 11 18.192 -45.098 -15.760 1.00 0.00 C ATOM 0 H THR C 11 19.055 -41.358 -14.587 1.00 0.00 H new ATOM 0 HA THR C 11 18.259 -43.776 -13.274 1.00 0.00 H new ATOM 0 HB THR C 11 19.024 -43.156 -16.126 1.00 0.00 H new ATOM 0 HG1 THR C 11 16.650 -43.194 -16.337 1.00 0.00 H new ATOM 0 HG21 THR C 11 17.758 -45.195 -16.755 1.00 0.00 H new ATOM 0 HG22 THR C 11 19.171 -45.576 -15.743 1.00 0.00 H new ATOM 0 HG23 THR C 11 17.540 -45.580 -15.031 1.00 0.00 H new HETATM 1075 N NH2 C 12 21.274 -43.709 -14.531 1.00 0.00 N TER 1078 NH2 C 12 HETATM 1079 ZN ZN A 800 5.699 -9.477 -12.365 1.00 0.00 ZN HETATM 1080 ZN ZN A 801 0.764 -21.853 -7.597 1.00 0.00 ZN