USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 ASN :FLIP amide:sc= 0.706! F(o=-7.8,f=-2.8!) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -1.04 K(o=-2.8,f=-4) USER MOD Set 1.3: A 63 MET CE :methyl -107:sc= -2.42 (180deg=-7.15!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.366 F(o=-1.9,f=-0.37) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -133:sc= -0.138 (180deg=-2.24!) USER MOD Single : A 15 ASN : amide:sc= -3.79 K(o=-3.8,f=-5.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-2.7!) USER MOD Single : A 27 ASN : amide:sc= 0.0433 X(o=0.043,f=-0.075) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.247 F(o=-0.76,f=-0.25) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 95:sc= 1.26 USER MOD Single : A 38 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.2) USER MOD Single : A 39 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.17) USER MOD Single : A 40 ASN :FLIP amide:sc= -1.21 F(o=-2.2,f=-1.2) USER MOD Single : A 42 SER OG : rot 42:sc= 0.444 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 49 MET CE :methyl 171:sc= -0.428 (180deg=-0.429) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.121 (180deg=-0.844) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.079) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS :FLIP no HD1:sc= 0.0318 F(o=-0.67,f=0.032) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.066 X(o=-0.066,f=-0.52) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.022 -3.723 2.925 1.00 0.00 N ATOM 2 CA MET A 1 -14.542 -4.007 4.288 1.00 0.00 C ATOM 3 C MET A 1 -13.687 -3.333 5.356 1.00 0.00 C ATOM 4 O MET A 1 -12.458 -3.393 5.310 1.00 0.00 O ATOM 5 CB MET A 1 -14.553 -5.522 4.500 1.00 0.00 C ATOM 6 CG MET A 1 -15.736 -6.013 5.318 1.00 0.00 C ATOM 7 SD MET A 1 -16.215 -7.701 4.904 1.00 0.00 S ATOM 8 CE MET A 1 -17.668 -7.905 5.931 1.00 0.00 C ATOM 0 H1 MET A 1 -14.623 -4.194 2.219 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.030 -2.697 2.757 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.048 -4.079 2.844 1.00 0.00 H new ATOM 0 HA MET A 1 -15.552 -3.607 4.376 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.563 -6.016 3.529 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.630 -5.818 4.998 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.487 -5.960 6.378 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.585 -5.349 5.157 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.079 -8.904 5.785 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.395 -7.775 6.978 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.415 -7.161 5.656 1.00 0.00 H new ATOM 20 N PHE A 2 -14.346 -2.691 6.315 1.00 0.00 N ATOM 21 CA PHE A 2 -13.646 -2.004 7.394 1.00 0.00 C ATOM 22 C PHE A 2 -13.006 -3.004 8.352 1.00 0.00 C ATOM 23 O PHE A 2 -13.555 -3.302 9.412 1.00 0.00 O ATOM 24 CB PHE A 2 -14.611 -1.095 8.158 1.00 0.00 C ATOM 25 CG PHE A 2 -15.250 -0.042 7.299 1.00 0.00 C ATOM 26 CD1 PHE A 2 -14.549 1.096 6.938 1.00 0.00 C ATOM 27 CD2 PHE A 2 -16.554 -0.191 6.853 1.00 0.00 C ATOM 28 CE1 PHE A 2 -15.135 2.067 6.148 1.00 0.00 C ATOM 29 CE2 PHE A 2 -17.145 0.775 6.064 1.00 0.00 C ATOM 30 CZ PHE A 2 -16.435 1.906 5.710 1.00 0.00 C ATOM 0 H PHE A 2 -15.363 -2.632 6.367 1.00 0.00 H new ATOM 0 HA PHE A 2 -12.857 -1.396 6.952 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -15.392 -1.706 8.611 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -14.073 -0.611 8.973 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -13.532 1.227 7.278 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -17.114 -1.073 7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -14.577 2.950 5.874 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -18.162 0.647 5.724 1.00 0.00 H new ATOM 0 HZ PHE A 2 -16.895 2.663 5.092 1.00 0.00 H new ATOM 40 N HIS A 3 -11.842 -3.519 7.970 1.00 0.00 N ATOM 41 CA HIS A 3 -11.127 -4.486 8.796 1.00 0.00 C ATOM 42 C HIS A 3 -9.792 -4.858 8.163 1.00 0.00 C ATOM 43 O HIS A 3 -8.748 -4.807 8.811 1.00 0.00 O ATOM 44 CB HIS A 3 -11.977 -5.743 8.996 1.00 0.00 C ATOM 45 CG HIS A 3 -11.377 -6.727 9.952 1.00 0.00 C ATOM 46 ND1 HIS A 3 -10.112 -7.200 10.061 1.00 0.00 N flip ATOM 47 CD2 HIS A 3 -12.103 -7.347 10.947 1.00 0.00 C flip ATOM 48 CE1 HIS A 3 -10.099 -8.088 11.109 1.00 0.00 C flip ATOM 49 NE2 HIS A 3 -11.311 -8.158 11.627 1.00 0.00 N flip ATOM 0 H HIS A 3 -11.374 -3.283 7.095 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.934 -4.027 9.766 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.962 -5.451 9.359 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.124 -6.229 8.032 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.154 -7.194 11.140 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.237 -8.640 11.453 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -11.589 -8.739 12.418 1.00 0.00 H new ATOM 58 N GLU A 4 -9.837 -5.230 6.892 1.00 0.00 N ATOM 59 CA GLU A 4 -8.635 -5.612 6.160 1.00 0.00 C ATOM 60 C GLU A 4 -7.830 -4.385 5.728 1.00 0.00 C ATOM 61 O GLU A 4 -6.736 -4.503 5.180 1.00 0.00 O ATOM 62 CB GLU A 4 -9.007 -6.447 4.934 1.00 0.00 C ATOM 63 CG GLU A 4 -9.905 -7.631 5.254 1.00 0.00 C ATOM 64 CD GLU A 4 -10.979 -7.848 4.206 1.00 0.00 C ATOM 65 OE1 GLU A 4 -10.661 -8.412 3.139 1.00 0.00 O ATOM 66 OE2 GLU A 4 -12.138 -7.454 4.454 1.00 0.00 O ATOM 0 H GLU A 4 -10.696 -5.276 6.343 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.013 -6.207 6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.508 -5.807 4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.094 -6.811 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.297 -8.532 5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.376 -7.473 6.224 1.00 0.00 H new ATOM 73 N PHE A 5 -8.372 -3.207 5.978 1.00 0.00 N ATOM 74 CA PHE A 5 -7.698 -1.972 5.624 1.00 0.00 C ATOM 75 C PHE A 5 -6.844 -1.479 6.779 1.00 0.00 C ATOM 76 O PHE A 5 -5.906 -0.712 6.590 1.00 0.00 O ATOM 77 CB PHE A 5 -8.711 -0.910 5.223 1.00 0.00 C ATOM 78 CG PHE A 5 -8.747 -0.635 3.747 1.00 0.00 C ATOM 79 CD1 PHE A 5 -9.414 -1.492 2.884 1.00 0.00 C ATOM 80 CD2 PHE A 5 -8.115 0.480 3.220 1.00 0.00 C ATOM 81 CE1 PHE A 5 -9.449 -1.241 1.526 1.00 0.00 C ATOM 82 CE2 PHE A 5 -8.147 0.736 1.862 1.00 0.00 C ATOM 83 CZ PHE A 5 -8.815 -0.126 1.014 1.00 0.00 C ATOM 0 H PHE A 5 -9.279 -3.080 6.426 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.046 -2.169 4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.702 -1.225 5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.481 0.016 5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.912 -2.366 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.591 1.157 3.878 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.972 -1.916 0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.650 1.609 1.464 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.841 0.072 -0.047 1.00 0.00 H new ATOM 93 N ARG A 6 -7.178 -1.930 7.976 1.00 0.00 N ATOM 94 CA ARG A 6 -6.437 -1.553 9.164 1.00 0.00 C ATOM 95 C ARG A 6 -5.788 -2.785 9.765 1.00 0.00 C ATOM 96 O ARG A 6 -4.708 -2.711 10.351 1.00 0.00 O ATOM 97 CB ARG A 6 -7.352 -0.877 10.186 1.00 0.00 C ATOM 98 CG ARG A 6 -8.230 0.212 9.591 1.00 0.00 C ATOM 99 CD ARG A 6 -9.487 -0.366 8.960 1.00 0.00 C ATOM 100 NE ARG A 6 -10.668 0.443 9.254 1.00 0.00 N ATOM 101 CZ ARG A 6 -10.914 1.626 8.697 1.00 0.00 C ATOM 102 NH1 ARG A 6 -10.065 2.143 7.817 1.00 0.00 N ATOM 103 NH2 ARG A 6 -12.012 2.296 9.019 1.00 0.00 N ATOM 0 H ARG A 6 -7.961 -2.560 8.150 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.663 -0.837 8.886 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.988 -1.633 10.648 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.741 -0.446 10.979 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.507 0.923 10.369 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.666 0.765 8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.353 -0.433 7.880 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.643 -1.381 9.326 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.344 0.079 9.926 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.219 1.633 7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.259 3.050 7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.669 1.905 9.694 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.200 3.203 8.592 1.00 0.00 H new ATOM 117 N ASP A 7 -6.444 -3.927 9.594 1.00 0.00 N ATOM 118 CA ASP A 7 -5.919 -5.178 10.099 1.00 0.00 C ATOM 119 C ASP A 7 -5.052 -5.846 9.047 1.00 0.00 C ATOM 120 O ASP A 7 -4.061 -6.494 9.377 1.00 0.00 O ATOM 121 CB ASP A 7 -7.048 -6.116 10.523 1.00 0.00 C ATOM 122 CG ASP A 7 -6.708 -6.900 11.776 1.00 0.00 C ATOM 123 OD1 ASP A 7 -5.894 -7.843 11.683 1.00 0.00 O ATOM 124 OD2 ASP A 7 -7.254 -6.570 12.850 1.00 0.00 O ATOM 0 H ASP A 7 -7.338 -4.007 9.110 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.310 -4.960 10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.954 -5.535 10.696 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.264 -6.810 9.711 1.00 0.00 H new ATOM 129 N GLU A 8 -5.400 -5.669 7.772 1.00 0.00 N ATOM 130 CA GLU A 8 -4.593 -6.254 6.714 1.00 0.00 C ATOM 131 C GLU A 8 -3.528 -5.258 6.284 1.00 0.00 C ATOM 132 O GLU A 8 -2.471 -5.642 5.789 1.00 0.00 O ATOM 133 CB GLU A 8 -5.444 -6.712 5.528 1.00 0.00 C ATOM 134 CG GLU A 8 -5.360 -8.207 5.266 1.00 0.00 C ATOM 135 CD GLU A 8 -5.828 -8.588 3.875 1.00 0.00 C ATOM 136 OE1 GLU A 8 -6.533 -7.774 3.242 1.00 0.00 O ATOM 137 OE2 GLU A 8 -5.487 -9.699 3.417 1.00 0.00 O ATOM 0 H GLU A 8 -6.213 -5.140 7.457 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.108 -7.149 7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.484 -6.440 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.126 -6.176 4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.330 -8.537 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.963 -8.735 6.004 1.00 0.00 H new ATOM 144 N ILE A 9 -3.787 -3.970 6.502 1.00 0.00 N ATOM 145 CA ILE A 9 -2.799 -2.962 6.154 1.00 0.00 C ATOM 146 C ILE A 9 -1.775 -2.825 7.266 1.00 0.00 C ATOM 147 O ILE A 9 -0.623 -2.493 7.013 1.00 0.00 O ATOM 148 CB ILE A 9 -3.428 -1.579 5.886 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.266 -1.612 4.604 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.342 -0.511 5.790 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.821 -0.261 4.201 1.00 0.00 C ATOM 0 H ILE A 9 -4.651 -3.610 6.908 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.323 -3.300 5.234 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.085 -1.329 6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.653 -2.000 3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.093 -2.308 4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.801 0.459 5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.786 -0.473 6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.662 -0.756 4.974 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.403 -0.365 3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.461 0.121 4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.999 0.434 4.032 1.00 0.00 H new ATOM 163 N SER A 10 -2.201 -3.051 8.502 1.00 0.00 N ATOM 164 CA SER A 10 -1.297 -2.917 9.631 1.00 0.00 C ATOM 165 C SER A 10 -0.591 -4.223 9.986 1.00 0.00 C ATOM 166 O SER A 10 0.486 -4.201 10.581 1.00 0.00 O ATOM 167 CB SER A 10 -2.042 -2.377 10.852 1.00 0.00 C ATOM 168 OG SER A 10 -1.142 -1.837 11.804 1.00 0.00 O ATOM 0 H SER A 10 -3.154 -3.324 8.744 1.00 0.00 H new ATOM 0 HA SER A 10 -0.526 -2.208 9.328 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.749 -1.609 10.539 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.623 -3.177 11.310 1.00 0.00 H new ATOM 0 HG SER A 10 -1.645 -1.498 12.574 1.00 0.00 H new ATOM 174 N VAL A 11 -1.195 -5.360 9.658 1.00 0.00 N ATOM 175 CA VAL A 11 -0.587 -6.644 9.997 1.00 0.00 C ATOM 176 C VAL A 11 0.361 -7.149 8.913 1.00 0.00 C ATOM 177 O VAL A 11 1.346 -7.821 9.216 1.00 0.00 O ATOM 178 CB VAL A 11 -1.654 -7.719 10.290 1.00 0.00 C ATOM 179 CG1 VAL A 11 -1.004 -9.063 10.589 1.00 0.00 C ATOM 180 CG2 VAL A 11 -2.540 -7.285 11.449 1.00 0.00 C ATOM 0 H VAL A 11 -2.087 -5.421 9.168 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.003 -6.466 10.900 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.275 -7.834 9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.777 -9.804 10.792 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.414 -9.381 9.730 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.355 -8.968 11.460 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.288 -8.054 11.643 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.929 -7.140 12.340 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.039 -6.350 11.195 1.00 0.00 H new ATOM 190 N LEU A 12 0.073 -6.837 7.660 1.00 0.00 N ATOM 191 CA LEU A 12 0.926 -7.282 6.561 1.00 0.00 C ATOM 192 C LEU A 12 2.009 -6.258 6.271 1.00 0.00 C ATOM 193 O LEU A 12 3.169 -6.608 6.058 1.00 0.00 O ATOM 194 CB LEU A 12 0.100 -7.537 5.303 1.00 0.00 C ATOM 195 CG LEU A 12 -1.311 -8.051 5.562 1.00 0.00 C ATOM 196 CD1 LEU A 12 -2.167 -7.932 4.308 1.00 0.00 C ATOM 197 CD2 LEU A 12 -1.274 -9.491 6.059 1.00 0.00 C ATOM 0 H LEU A 12 -0.735 -6.283 7.376 1.00 0.00 H new ATOM 0 HA LEU A 12 1.400 -8.216 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.036 -6.610 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.627 -8.259 4.679 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.763 -7.434 6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.170 -8.305 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.224 -6.887 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.721 -8.519 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.291 -9.840 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.800 -10.123 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.704 -9.541 6.987 1.00 0.00 H new ATOM 209 N LYS A 13 1.622 -4.993 6.268 1.00 0.00 N ATOM 210 CA LYS A 13 2.566 -3.912 6.005 1.00 0.00 C ATOM 211 C LYS A 13 3.561 -3.775 7.145 1.00 0.00 C ATOM 212 O LYS A 13 4.760 -3.606 6.926 1.00 0.00 O ATOM 213 CB LYS A 13 1.828 -2.591 5.823 1.00 0.00 C ATOM 214 CG LYS A 13 2.749 -1.413 5.563 1.00 0.00 C ATOM 215 CD LYS A 13 3.047 -0.646 6.839 1.00 0.00 C ATOM 216 CE LYS A 13 1.828 0.124 7.323 1.00 0.00 C ATOM 217 NZ LYS A 13 1.339 1.091 6.300 1.00 0.00 N ATOM 0 H LYS A 13 0.665 -4.687 6.444 1.00 0.00 H new ATOM 0 HA LYS A 13 3.104 -4.156 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.129 -2.686 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.236 -2.389 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.682 -1.769 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.290 -0.745 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.372 -1.340 7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.871 0.046 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.031 -0.577 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.077 0.660 8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.164 2.013 6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.056 1.200 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.455 0.736 5.882 1.00 0.00 H new ATOM 231 N ALA A 14 3.047 -3.840 8.362 1.00 0.00 N ATOM 232 CA ALA A 14 3.874 -3.712 9.550 1.00 0.00 C ATOM 233 C ALA A 14 4.634 -5.002 9.849 1.00 0.00 C ATOM 234 O ALA A 14 5.428 -5.055 10.789 1.00 0.00 O ATOM 235 CB ALA A 14 3.015 -3.307 10.739 1.00 0.00 C ATOM 0 H ALA A 14 2.055 -3.981 8.553 1.00 0.00 H new ATOM 0 HA ALA A 14 4.615 -2.935 9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.642 -3.213 11.626 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.534 -2.351 10.532 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.253 -4.066 10.913 1.00 0.00 H new ATOM 241 N ASN A 15 4.385 -6.049 9.061 1.00 0.00 N ATOM 242 CA ASN A 15 5.054 -7.331 9.280 1.00 0.00 C ATOM 243 C ASN A 15 5.691 -7.882 8.010 1.00 0.00 C ATOM 244 O ASN A 15 6.211 -8.997 8.012 1.00 0.00 O ATOM 245 CB ASN A 15 4.075 -8.359 9.852 1.00 0.00 C ATOM 246 CG ASN A 15 3.346 -7.848 11.080 1.00 0.00 C ATOM 247 OD1 ASN A 15 3.711 -6.822 11.652 1.00 0.00 O ATOM 248 ND2 ASN A 15 2.309 -8.567 11.493 1.00 0.00 N ATOM 0 H ASN A 15 3.734 -6.036 8.276 1.00 0.00 H new ATOM 0 HA ASN A 15 5.854 -7.147 9.997 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.347 -8.627 9.087 1.00 0.00 H new ATOM 0 HB3 ASN A 15 4.618 -9.269 10.108 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.781 -8.274 12.315 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.041 -9.412 10.988 1.00 0.00 H new ATOM 255 N ASN A 16 5.666 -7.110 6.933 1.00 0.00 N ATOM 256 CA ASN A 16 6.263 -7.562 5.685 1.00 0.00 C ATOM 257 C ASN A 16 7.710 -7.084 5.581 1.00 0.00 C ATOM 258 O ASN A 16 7.974 -5.888 5.668 1.00 0.00 O ATOM 259 CB ASN A 16 5.457 -7.060 4.485 1.00 0.00 C ATOM 260 CG ASN A 16 4.491 -8.104 3.960 1.00 0.00 C ATOM 261 OD1 ASN A 16 4.603 -8.419 2.675 1.00 0.00 O flip ATOM 262 ND2 ASN A 16 3.656 -8.622 4.701 1.00 0.00 N flip ATOM 0 H ASN A 16 5.245 -6.181 6.897 1.00 0.00 H new ATOM 0 HA ASN A 16 6.251 -8.652 5.679 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.902 -6.167 4.772 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.141 -6.768 3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.606 -8.349 5.683 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.014 -9.324 4.334 1.00 0.00 H new ATOM 269 N PRO A 17 8.673 -8.008 5.396 1.00 0.00 N ATOM 270 CA PRO A 17 10.093 -7.650 5.287 1.00 0.00 C ATOM 271 C PRO A 17 10.334 -6.562 4.259 1.00 0.00 C ATOM 272 O PRO A 17 11.280 -5.781 4.371 1.00 0.00 O ATOM 273 CB PRO A 17 10.763 -8.958 4.864 1.00 0.00 C ATOM 274 CG PRO A 17 9.853 -10.027 5.364 1.00 0.00 C ATOM 275 CD PRO A 17 8.460 -9.463 5.282 1.00 0.00 C ATOM 0 HA PRO A 17 10.485 -7.246 6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.880 -9.011 3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.759 -9.051 5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.944 -10.930 4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.102 -10.303 6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.975 -9.726 4.342 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.826 -9.840 6.084 1.00 0.00 H new ATOM 283 N HIS A 18 9.462 -6.503 3.273 1.00 0.00 N ATOM 284 CA HIS A 18 9.559 -5.497 2.234 1.00 0.00 C ATOM 285 C HIS A 18 9.270 -4.112 2.807 1.00 0.00 C ATOM 286 O HIS A 18 9.592 -3.095 2.193 1.00 0.00 O ATOM 287 CB HIS A 18 8.577 -5.832 1.121 1.00 0.00 C ATOM 288 CG HIS A 18 9.209 -5.904 -0.235 1.00 0.00 C ATOM 289 ND1 HIS A 18 9.019 -6.962 -1.098 1.00 0.00 N ATOM 290 CD2 HIS A 18 10.033 -5.041 -0.875 1.00 0.00 C ATOM 291 CE1 HIS A 18 9.700 -6.748 -2.210 1.00 0.00 C ATOM 292 NE2 HIS A 18 10.324 -5.589 -2.100 1.00 0.00 N ATOM 0 H HIS A 18 8.675 -7.143 3.169 1.00 0.00 H new ATOM 0 HA HIS A 18 10.571 -5.489 1.829 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.102 -6.788 1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.788 -5.080 1.105 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.394 -4.097 -0.493 1.00 0.00 H new ATOM 0 HE1 HIS A 18 9.740 -7.408 -3.064 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.924 -5.169 -2.810 1.00 0.00 H new ATOM 301 N PHE A 19 8.668 -4.080 3.998 1.00 0.00 N ATOM 302 CA PHE A 19 8.344 -2.823 4.660 1.00 0.00 C ATOM 303 C PHE A 19 9.570 -1.921 4.721 1.00 0.00 C ATOM 304 O PHE A 19 9.466 -0.701 4.651 1.00 0.00 O ATOM 305 CB PHE A 19 7.794 -3.083 6.072 1.00 0.00 C ATOM 306 CG PHE A 19 8.846 -3.381 7.112 1.00 0.00 C ATOM 307 CD1 PHE A 19 9.829 -4.329 6.880 1.00 0.00 C ATOM 308 CD2 PHE A 19 8.846 -2.709 8.326 1.00 0.00 C ATOM 309 CE1 PHE A 19 10.789 -4.603 7.835 1.00 0.00 C ATOM 310 CE2 PHE A 19 9.804 -2.980 9.285 1.00 0.00 C ATOM 311 CZ PHE A 19 10.777 -3.926 9.038 1.00 0.00 C ATOM 0 H PHE A 19 8.397 -4.913 4.521 1.00 0.00 H new ATOM 0 HA PHE A 19 7.573 -2.317 4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.223 -2.211 6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.098 -3.921 6.028 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.845 -4.861 5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.088 -1.965 8.524 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.548 -5.346 7.641 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.791 -2.452 10.227 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.528 -4.137 9.785 1.00 0.00 H new ATOM 321 N ASP A 20 10.738 -2.529 4.830 1.00 0.00 N ATOM 322 CA ASP A 20 11.980 -1.771 4.880 1.00 0.00 C ATOM 323 C ASP A 20 12.005 -0.706 3.793 1.00 0.00 C ATOM 324 O ASP A 20 12.234 0.470 4.062 1.00 0.00 O ATOM 325 CB ASP A 20 13.172 -2.700 4.703 1.00 0.00 C ATOM 326 CG ASP A 20 13.634 -3.311 6.011 1.00 0.00 C ATOM 327 OD1 ASP A 20 14.489 -2.699 6.684 1.00 0.00 O ATOM 328 OD2 ASP A 20 13.139 -4.403 6.364 1.00 0.00 O ATOM 0 H ASP A 20 10.855 -3.541 4.886 1.00 0.00 H new ATOM 0 HA ASP A 20 12.040 -1.285 5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.907 -3.497 4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.996 -2.146 4.254 1.00 0.00 H new ATOM 333 N LYS A 21 11.774 -1.134 2.562 1.00 0.00 N ATOM 334 CA LYS A 21 11.768 -0.231 1.421 1.00 0.00 C ATOM 335 C LYS A 21 10.374 0.327 1.148 1.00 0.00 C ATOM 336 O LYS A 21 10.196 1.534 0.990 1.00 0.00 O ATOM 337 CB LYS A 21 12.295 -0.952 0.179 1.00 0.00 C ATOM 338 CG LYS A 21 13.790 -0.780 -0.035 1.00 0.00 C ATOM 339 CD LYS A 21 14.413 -2.025 -0.646 1.00 0.00 C ATOM 340 CE LYS A 21 15.125 -2.863 0.404 1.00 0.00 C ATOM 341 NZ LYS A 21 15.971 -3.924 -0.211 1.00 0.00 N ATOM 0 H LYS A 21 11.587 -2.109 2.326 1.00 0.00 H new ATOM 0 HA LYS A 21 12.421 0.609 1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.068 -2.015 0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.766 -0.581 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.969 0.075 -0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.272 -0.561 0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.638 -2.623 -1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.120 -1.736 -1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.747 -2.217 1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.388 -3.323 1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.439 -4.473 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.374 -4.556 -0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.691 -3.485 -0.819 1.00 0.00 H new ATOM 355 N ILE A 22 9.396 -0.566 1.076 1.00 0.00 N ATOM 356 CA ILE A 22 8.017 -0.174 0.801 1.00 0.00 C ATOM 357 C ILE A 22 7.427 0.672 1.920 1.00 0.00 C ATOM 358 O ILE A 22 6.627 1.573 1.671 1.00 0.00 O ATOM 359 CB ILE A 22 7.106 -1.398 0.592 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.784 -2.438 -0.304 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.775 -0.965 -0.006 1.00 0.00 C ATOM 362 CD1 ILE A 22 6.887 -3.607 -0.652 1.00 0.00 C ATOM 0 H ILE A 22 9.531 -1.569 1.204 1.00 0.00 H new ATOM 0 HA ILE A 22 8.057 0.416 -0.115 1.00 0.00 H new ATOM 0 HB ILE A 22 6.922 -1.859 1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.113 -1.955 -1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.677 -2.811 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.139 -1.839 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.283 -0.265 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.948 -0.481 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.430 -4.305 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.579 -4.114 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.005 -3.244 -1.181 1.00 0.00 H new ATOM 374 N PHE A 23 7.809 0.370 3.154 1.00 0.00 N ATOM 375 CA PHE A 23 7.293 1.102 4.304 1.00 0.00 C ATOM 376 C PHE A 23 8.134 2.334 4.610 1.00 0.00 C ATOM 377 O PHE A 23 7.621 3.318 5.134 1.00 0.00 O ATOM 378 CB PHE A 23 7.219 0.197 5.535 1.00 0.00 C ATOM 379 CG PHE A 23 6.254 0.656 6.597 1.00 0.00 C ATOM 380 CD1 PHE A 23 5.541 1.841 6.465 1.00 0.00 C ATOM 381 CD2 PHE A 23 6.068 -0.107 7.737 1.00 0.00 C ATOM 382 CE1 PHE A 23 4.661 2.250 7.450 1.00 0.00 C ATOM 383 CE2 PHE A 23 5.191 0.298 8.725 1.00 0.00 C ATOM 384 CZ PHE A 23 4.487 1.478 8.582 1.00 0.00 C ATOM 0 H PHE A 23 8.470 -0.372 3.384 1.00 0.00 H new ATOM 0 HA PHE A 23 6.287 1.436 4.050 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.936 -0.806 5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.214 0.123 5.975 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.676 2.450 5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.615 -1.030 7.856 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.110 3.172 7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.056 -0.308 9.609 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.802 1.796 9.354 1.00 0.00 H new ATOM 394 N GLU A 24 9.423 2.292 4.286 1.00 0.00 N ATOM 395 CA GLU A 24 10.281 3.441 4.549 1.00 0.00 C ATOM 396 C GLU A 24 9.927 4.591 3.618 1.00 0.00 C ATOM 397 O GLU A 24 9.915 5.752 4.026 1.00 0.00 O ATOM 398 CB GLU A 24 11.755 3.069 4.400 1.00 0.00 C ATOM 399 CG GLU A 24 12.706 4.243 4.576 1.00 0.00 C ATOM 400 CD GLU A 24 13.523 4.147 5.850 1.00 0.00 C ATOM 401 OE1 GLU A 24 14.014 3.042 6.159 1.00 0.00 O ATOM 402 OE2 GLU A 24 13.671 5.179 6.539 1.00 0.00 O ATOM 0 H GLU A 24 9.887 1.495 3.851 1.00 0.00 H new ATOM 0 HA GLU A 24 10.115 3.760 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.002 2.301 5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.912 2.631 3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.379 4.292 3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.134 5.171 4.585 1.00 0.00 H new ATOM 409 N LYS A 25 9.622 4.262 2.369 1.00 0.00 N ATOM 410 CA LYS A 25 9.251 5.275 1.391 1.00 0.00 C ATOM 411 C LYS A 25 7.823 5.740 1.640 1.00 0.00 C ATOM 412 O LYS A 25 7.491 6.906 1.424 1.00 0.00 O ATOM 413 CB LYS A 25 9.388 4.727 -0.032 1.00 0.00 C ATOM 414 CG LYS A 25 10.727 4.058 -0.301 1.00 0.00 C ATOM 415 CD LYS A 25 11.759 5.055 -0.808 1.00 0.00 C ATOM 416 CE LYS A 25 12.512 4.516 -2.014 1.00 0.00 C ATOM 417 NZ LYS A 25 12.171 5.257 -3.260 1.00 0.00 N ATOM 0 H LYS A 25 9.624 3.307 2.011 1.00 0.00 H new ATOM 0 HA LYS A 25 9.925 6.125 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.589 4.008 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.250 5.543 -0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.091 3.590 0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.596 3.263 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.264 5.988 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.465 5.286 -0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.585 4.585 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.279 3.459 -2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.705 4.858 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.152 5.170 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.417 6.261 -3.145 1.00 0.00 H new ATOM 431 N HIS A 26 6.986 4.823 2.113 1.00 0.00 N ATOM 432 CA HIS A 26 5.598 5.142 2.413 1.00 0.00 C ATOM 433 C HIS A 26 5.509 5.869 3.746 1.00 0.00 C ATOM 434 O HIS A 26 4.807 6.872 3.875 1.00 0.00 O ATOM 435 CB HIS A 26 4.750 3.868 2.446 1.00 0.00 C ATOM 436 CG HIS A 26 3.316 4.110 2.810 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.661 3.401 3.795 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.412 4.990 2.318 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.416 3.834 3.892 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.240 4.798 3.007 1.00 0.00 N ATOM 0 H HIS A 26 7.246 3.854 2.296 1.00 0.00 H new ATOM 0 HA HIS A 26 5.211 5.792 1.628 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.792 3.388 1.468 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.185 3.171 3.162 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.581 5.709 1.530 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.670 3.462 4.578 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.374 5.316 2.859 1.00 0.00 H new ATOM 449 N ASN A 27 6.235 5.359 4.734 1.00 0.00 N ATOM 450 CA ASN A 27 6.246 5.967 6.060 1.00 0.00 C ATOM 451 C ASN A 27 6.946 7.322 6.028 1.00 0.00 C ATOM 452 O ASN A 27 6.642 8.205 6.829 1.00 0.00 O ATOM 453 CB ASN A 27 6.937 5.049 7.069 1.00 0.00 C ATOM 454 CG ASN A 27 6.839 5.572 8.489 1.00 0.00 C ATOM 455 OD1 ASN A 27 7.665 6.372 8.926 1.00 0.00 O ATOM 456 ND2 ASN A 27 5.824 5.122 9.216 1.00 0.00 N ATOM 0 H ASN A 27 6.822 4.529 4.643 1.00 0.00 H new ATOM 0 HA ASN A 27 5.211 6.115 6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.489 4.056 7.019 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.987 4.939 6.797 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.706 5.439 10.178 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.162 4.459 8.813 1.00 0.00 H new ATOM 463 N GLN A 28 7.880 7.487 5.093 1.00 0.00 N ATOM 464 CA GLN A 28 8.608 8.742 4.961 1.00 0.00 C ATOM 465 C GLN A 28 7.685 9.826 4.425 1.00 0.00 C ATOM 466 O GLN A 28 7.762 10.984 4.836 1.00 0.00 O ATOM 467 CB GLN A 28 9.815 8.569 4.036 1.00 0.00 C ATOM 468 CG GLN A 28 10.599 9.853 3.813 1.00 0.00 C ATOM 469 CD GLN A 28 11.300 10.333 5.068 1.00 0.00 C ATOM 470 OE1 GLN A 28 10.529 10.874 6.005 1.00 0.00 O flip ATOM 471 NE2 GLN A 28 12.519 10.220 5.194 1.00 0.00 N flip ATOM 0 H GLN A 28 8.148 6.769 4.420 1.00 0.00 H new ATOM 0 HA GLN A 28 8.969 9.040 5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.480 7.815 4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.473 8.190 3.073 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.338 9.692 3.028 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.922 10.631 3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.072 9.798 4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.976 10.548 6.044 1.00 0.00 H new ATOM 480 N LEU A 29 6.801 9.436 3.515 1.00 0.00 N ATOM 481 CA LEU A 29 5.849 10.367 2.932 1.00 0.00 C ATOM 482 C LEU A 29 4.820 10.773 3.975 1.00 0.00 C ATOM 483 O LEU A 29 4.626 11.956 4.247 1.00 0.00 O ATOM 484 CB LEU A 29 5.160 9.740 1.718 1.00 0.00 C ATOM 485 CG LEU A 29 5.291 10.536 0.419 1.00 0.00 C ATOM 486 CD1 LEU A 29 4.800 11.962 0.614 1.00 0.00 C ATOM 487 CD2 LEU A 29 6.734 10.530 -0.065 1.00 0.00 C ATOM 0 H LEU A 29 6.725 8.481 3.166 1.00 0.00 H new ATOM 0 HA LEU A 29 6.385 11.256 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.572 8.744 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.101 9.614 1.944 1.00 0.00 H new ATOM 0 HG LEU A 29 4.670 10.060 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.901 12.513 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.753 11.948 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.394 12.449 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.810 11.101 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.374 10.981 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.053 9.503 -0.245 1.00 0.00 H new ATOM 499 N ASP A 30 4.177 9.775 4.571 1.00 0.00 N ATOM 500 CA ASP A 30 3.179 10.021 5.604 1.00 0.00 C ATOM 501 C ASP A 30 3.809 10.747 6.789 1.00 0.00 C ATOM 502 O ASP A 30 3.112 11.374 7.584 1.00 0.00 O ATOM 503 CB ASP A 30 2.551 8.705 6.066 1.00 0.00 C ATOM 504 CG ASP A 30 1.085 8.857 6.423 1.00 0.00 C ATOM 505 OD1 ASP A 30 0.249 8.902 5.495 1.00 0.00 O ATOM 506 OD2 ASP A 30 0.771 8.931 7.629 1.00 0.00 O ATOM 0 H ASP A 30 4.329 8.789 4.357 1.00 0.00 H new ATOM 0 HA ASP A 30 2.396 10.652 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.655 7.960 5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.096 8.330 6.932 1.00 0.00 H new ATOM 511 N ASP A 31 5.133 10.674 6.893 1.00 0.00 N ATOM 512 CA ASP A 31 5.841 11.353 7.968 1.00 0.00 C ATOM 513 C ASP A 31 6.102 12.800 7.573 1.00 0.00 C ATOM 514 O ASP A 31 6.146 13.691 8.422 1.00 0.00 O ATOM 515 CB ASP A 31 7.156 10.638 8.288 1.00 0.00 C ATOM 516 CG ASP A 31 7.896 11.281 9.445 1.00 0.00 C ATOM 517 OD1 ASP A 31 8.623 12.269 9.210 1.00 0.00 O ATOM 518 OD2 ASP A 31 7.750 10.795 10.586 1.00 0.00 O ATOM 0 H ASP A 31 5.731 10.155 6.250 1.00 0.00 H new ATOM 0 HA ASP A 31 5.222 11.334 8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.950 9.594 8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.794 10.643 7.404 1.00 0.00 H new ATOM 523 N ASP A 32 6.249 13.027 6.270 1.00 0.00 N ATOM 524 CA ASP A 32 6.476 14.366 5.750 1.00 0.00 C ATOM 525 C ASP A 32 5.148 15.105 5.641 1.00 0.00 C ATOM 526 O ASP A 32 5.081 16.319 5.831 1.00 0.00 O ATOM 527 CB ASP A 32 7.156 14.302 4.381 1.00 0.00 C ATOM 528 CG ASP A 32 8.669 14.324 4.486 1.00 0.00 C ATOM 529 OD1 ASP A 32 9.220 13.542 5.289 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.303 15.123 3.765 1.00 0.00 O ATOM 0 H ASP A 32 6.214 12.298 5.557 1.00 0.00 H new ATOM 0 HA ASP A 32 7.132 14.903 6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.843 13.394 3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.824 15.144 3.774 1.00 0.00 H new ATOM 535 N ILE A 33 4.087 14.354 5.350 1.00 0.00 N ATOM 536 CA ILE A 33 2.757 14.921 5.232 1.00 0.00 C ATOM 537 C ILE A 33 2.317 15.505 6.569 1.00 0.00 C ATOM 538 O ILE A 33 1.625 16.521 6.616 1.00 0.00 O ATOM 539 CB ILE A 33 1.736 13.863 4.754 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.346 12.923 5.896 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.292 13.078 3.574 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.117 13.376 6.655 1.00 0.00 C ATOM 0 H ILE A 33 4.130 13.347 5.192 1.00 0.00 H new ATOM 0 HA ILE A 33 2.794 15.715 4.486 1.00 0.00 H new ATOM 0 HB ILE A 33 0.836 14.384 4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.167 11.927 5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.182 12.840 6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.559 12.338 3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.505 13.760 2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.210 12.573 3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.103 12.664 7.450 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.299 14.359 7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.732 13.432 5.973 1.00 0.00 H new ATOM 554 N LYS A 34 2.744 14.865 7.657 1.00 0.00 N ATOM 555 CA LYS A 34 2.411 15.338 8.991 1.00 0.00 C ATOM 556 C LYS A 34 3.348 16.471 9.375 1.00 0.00 C ATOM 557 O LYS A 34 2.935 17.458 9.985 1.00 0.00 O ATOM 558 CB LYS A 34 2.509 14.204 10.010 1.00 0.00 C ATOM 559 CG LYS A 34 3.850 13.485 9.999 1.00 0.00 C ATOM 560 CD LYS A 34 4.021 12.605 11.228 1.00 0.00 C ATOM 561 CE LYS A 34 5.228 13.024 12.053 1.00 0.00 C ATOM 562 NZ LYS A 34 5.052 12.701 13.496 1.00 0.00 N ATOM 0 H LYS A 34 3.318 14.022 7.637 1.00 0.00 H new ATOM 0 HA LYS A 34 1.383 15.702 8.988 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.331 14.607 11.007 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.718 13.481 9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.929 12.875 9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.656 14.217 9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.123 12.659 11.843 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.134 11.566 10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.119 12.522 11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.392 14.095 11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.896 13.002 14.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.217 13.200 13.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.920 11.676 13.609 1.00 0.00 H new ATOM 576 N THR A 35 4.612 16.330 8.989 1.00 0.00 N ATOM 577 CA THR A 35 5.609 17.351 9.266 1.00 0.00 C ATOM 578 C THR A 35 5.280 18.615 8.483 1.00 0.00 C ATOM 579 O THR A 35 5.599 19.726 8.908 1.00 0.00 O ATOM 580 CB THR A 35 7.005 16.851 8.895 1.00 0.00 C ATOM 581 OG1 THR A 35 7.312 15.656 9.592 1.00 0.00 O ATOM 582 CG2 THR A 35 8.098 17.852 9.198 1.00 0.00 C ATOM 0 H THR A 35 4.967 15.518 8.484 1.00 0.00 H new ATOM 0 HA THR A 35 5.596 17.576 10.333 1.00 0.00 H new ATOM 0 HB THR A 35 6.975 16.683 7.818 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.094 14.884 9.029 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.063 17.435 8.911 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.918 18.769 8.637 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.102 18.075 10.265 1.00 0.00 H new ATOM 590 N ALA A 36 4.624 18.433 7.340 1.00 0.00 N ATOM 591 CA ALA A 36 4.231 19.552 6.496 1.00 0.00 C ATOM 592 C ALA A 36 2.850 20.067 6.892 1.00 0.00 C ATOM 593 O ALA A 36 2.516 21.226 6.647 1.00 0.00 O ATOM 594 CB ALA A 36 4.246 19.143 5.032 1.00 0.00 C ATOM 0 H ALA A 36 4.354 17.518 6.979 1.00 0.00 H new ATOM 0 HA ALA A 36 4.951 20.358 6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.950 19.991 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.251 18.825 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.548 18.320 4.877 1.00 0.00 H new ATOM 600 N GLU A 37 2.051 19.197 7.510 1.00 0.00 N ATOM 601 CA GLU A 37 0.709 19.568 7.944 1.00 0.00 C ATOM 602 C GLU A 37 0.750 20.273 9.298 1.00 0.00 C ATOM 603 O GLU A 37 -0.174 21.002 9.657 1.00 0.00 O ATOM 604 CB GLU A 37 -0.183 18.329 8.030 1.00 0.00 C ATOM 605 CG GLU A 37 -0.947 18.037 6.748 1.00 0.00 C ATOM 606 CD GLU A 37 -2.075 17.046 6.954 1.00 0.00 C ATOM 607 OE1 GLU A 37 -2.713 17.088 8.027 1.00 0.00 O ATOM 608 OE2 GLU A 37 -2.322 16.229 6.043 1.00 0.00 O ATOM 0 H GLU A 37 2.311 18.233 7.720 1.00 0.00 H new ATOM 0 HA GLU A 37 0.294 20.256 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.433 17.465 8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.895 18.460 8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.354 18.968 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.258 17.646 6.000 1.00 0.00 H new ATOM 615 N GLN A 38 1.827 20.048 10.046 1.00 0.00 N ATOM 616 CA GLN A 38 1.988 20.659 11.360 1.00 0.00 C ATOM 617 C GLN A 38 1.889 22.178 11.276 1.00 0.00 C ATOM 618 O GLN A 38 1.261 22.816 12.121 1.00 0.00 O ATOM 619 CB GLN A 38 3.333 20.258 11.969 1.00 0.00 C ATOM 620 CG GLN A 38 3.305 18.911 12.673 1.00 0.00 C ATOM 621 CD GLN A 38 4.637 18.189 12.603 1.00 0.00 C ATOM 622 OE1 GLN A 38 5.696 18.801 12.732 1.00 0.00 O ATOM 623 NE2 GLN A 38 4.588 16.878 12.395 1.00 0.00 N ATOM 0 H GLN A 38 2.601 19.447 9.763 1.00 0.00 H new ATOM 0 HA GLN A 38 1.182 20.298 11.999 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.086 20.231 11.181 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.643 21.024 12.680 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.029 19.057 13.717 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.533 18.286 12.224 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.687 16.411 12.294 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.452 16.338 12.337 1.00 0.00 H new ATOM 632 N GLN A 39 2.516 22.757 10.255 1.00 0.00 N ATOM 633 CA GLN A 39 2.497 24.203 10.071 1.00 0.00 C ATOM 634 C GLN A 39 1.858 24.586 8.739 1.00 0.00 C ATOM 635 O GLN A 39 1.349 25.696 8.582 1.00 0.00 O ATOM 636 CB GLN A 39 3.919 24.765 10.146 1.00 0.00 C ATOM 637 CG GLN A 39 4.762 24.476 8.912 1.00 0.00 C ATOM 638 CD GLN A 39 5.791 23.388 9.148 1.00 0.00 C ATOM 639 OE1 GLN A 39 6.613 23.483 10.059 1.00 0.00 O ATOM 640 NE2 GLN A 39 5.750 22.345 8.326 1.00 0.00 N ATOM 0 H GLN A 39 3.042 22.247 9.545 1.00 0.00 H new ATOM 0 HA GLN A 39 1.896 24.633 10.872 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.866 25.844 10.293 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.418 24.348 11.021 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.108 24.180 8.092 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.270 25.389 8.602 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.051 22.308 7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.417 21.582 8.437 1.00 0.00 H new ATOM 649 N ASN A 40 1.900 23.667 7.776 1.00 0.00 N ATOM 650 CA ASN A 40 1.337 23.921 6.457 1.00 0.00 C ATOM 651 C ASN A 40 2.100 25.040 5.764 1.00 0.00 C ATOM 652 O ASN A 40 1.508 25.999 5.266 1.00 0.00 O ATOM 653 CB ASN A 40 -0.143 24.287 6.574 1.00 0.00 C ATOM 654 CG ASN A 40 -1.047 23.072 6.503 1.00 0.00 C ATOM 655 OD1 ASN A 40 -0.959 22.211 7.510 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -1.815 22.909 5.555 1.00 0.00 N flip ATOM 0 H ASN A 40 2.318 22.743 7.887 1.00 0.00 H new ATOM 0 HA ASN A 40 1.428 23.014 5.860 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.312 24.808 7.517 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.407 24.980 5.775 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.850 23.597 4.803 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.417 22.086 5.522 1.00 0.00 H new ATOM 663 N ALA A 41 3.425 24.911 5.740 1.00 0.00 N ATOM 664 CA ALA A 41 4.289 25.908 5.111 1.00 0.00 C ATOM 665 C ALA A 41 3.729 26.364 3.767 1.00 0.00 C ATOM 666 O ALA A 41 3.939 27.503 3.349 1.00 0.00 O ATOM 667 CB ALA A 41 5.694 25.352 4.937 1.00 0.00 C ATOM 0 H ALA A 41 3.925 24.123 6.151 1.00 0.00 H new ATOM 0 HA ALA A 41 4.329 26.778 5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.328 26.104 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.105 25.089 5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.658 24.463 4.307 1.00 0.00 H new ATOM 673 N SER A 42 3.010 25.469 3.098 1.00 0.00 N ATOM 674 CA SER A 42 2.416 25.780 1.804 1.00 0.00 C ATOM 675 C SER A 42 1.327 24.772 1.452 1.00 0.00 C ATOM 676 O SER A 42 1.593 23.578 1.311 1.00 0.00 O ATOM 677 CB SER A 42 3.490 25.794 0.715 1.00 0.00 C ATOM 678 OG SER A 42 3.944 27.112 0.463 1.00 0.00 O ATOM 0 H SER A 42 2.825 24.523 3.431 1.00 0.00 H new ATOM 0 HA SER A 42 1.963 26.770 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.329 25.169 1.020 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.088 25.363 -0.202 1.00 0.00 H new ATOM 0 HG SER A 42 4.046 27.591 1.312 1.00 0.00 H new ATOM 684 N ASP A 43 0.097 25.261 1.306 1.00 0.00 N ATOM 685 CA ASP A 43 -1.037 24.407 0.964 1.00 0.00 C ATOM 686 C ASP A 43 -0.689 23.499 -0.206 1.00 0.00 C ATOM 687 O ASP A 43 -0.872 22.283 -0.142 1.00 0.00 O ATOM 688 CB ASP A 43 -2.262 25.260 0.625 1.00 0.00 C ATOM 689 CG ASP A 43 -3.523 24.754 1.299 1.00 0.00 C ATOM 690 OD1 ASP A 43 -4.033 23.693 0.884 1.00 0.00 O ATOM 691 OD2 ASP A 43 -3.999 25.420 2.242 1.00 0.00 O ATOM 0 H ASP A 43 -0.139 26.247 1.420 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.271 23.784 1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.079 26.291 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.409 25.268 -0.455 1.00 0.00 H new ATOM 696 N ALA A 44 -0.170 24.099 -1.268 1.00 0.00 N ATOM 697 CA ALA A 44 0.228 23.347 -2.448 1.00 0.00 C ATOM 698 C ALA A 44 1.315 22.343 -2.087 1.00 0.00 C ATOM 699 O ALA A 44 1.427 21.282 -2.701 1.00 0.00 O ATOM 700 CB ALA A 44 0.711 24.289 -3.541 1.00 0.00 C ATOM 0 H ALA A 44 -0.015 25.105 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.638 22.802 -2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.005 23.710 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.092 24.974 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.567 24.858 -3.179 1.00 0.00 H new ATOM 706 N GLU A 45 2.108 22.686 -1.075 1.00 0.00 N ATOM 707 CA GLU A 45 3.183 21.819 -0.613 1.00 0.00 C ATOM 708 C GLU A 45 2.620 20.660 0.196 1.00 0.00 C ATOM 709 O GLU A 45 3.062 19.519 0.059 1.00 0.00 O ATOM 710 CB GLU A 45 4.176 22.612 0.239 1.00 0.00 C ATOM 711 CG GLU A 45 5.550 21.969 0.327 1.00 0.00 C ATOM 712 CD GLU A 45 6.666 22.990 0.431 1.00 0.00 C ATOM 713 OE1 GLU A 45 6.518 24.090 -0.141 1.00 0.00 O ATOM 714 OE2 GLU A 45 7.687 22.689 1.085 1.00 0.00 O ATOM 0 H GLU A 45 2.024 23.562 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 45 3.702 21.421 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.279 23.614 -0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.771 22.724 1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.584 21.310 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.713 21.347 -0.553 1.00 0.00 H new ATOM 721 N VAL A 46 1.640 20.961 1.038 1.00 0.00 N ATOM 722 CA VAL A 46 1.013 19.943 1.870 1.00 0.00 C ATOM 723 C VAL A 46 0.046 19.089 1.056 1.00 0.00 C ATOM 724 O VAL A 46 -0.227 17.941 1.405 1.00 0.00 O ATOM 725 CB VAL A 46 0.258 20.565 3.060 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.139 19.490 4.059 1.00 0.00 C ATOM 727 CG2 VAL A 46 1.101 21.645 3.728 1.00 0.00 C ATOM 0 H VAL A 46 1.263 21.900 1.163 1.00 0.00 H new ATOM 0 HA VAL A 46 1.816 19.314 2.255 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.652 21.033 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.671 19.947 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.786 18.761 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.756 18.990 4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.549 22.071 4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.031 21.208 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.326 22.429 3.006 1.00 0.00 H new ATOM 737 N SER A 47 -0.467 19.655 -0.032 1.00 0.00 N ATOM 738 CA SER A 47 -1.401 18.941 -0.894 1.00 0.00 C ATOM 739 C SER A 47 -0.660 18.081 -1.908 1.00 0.00 C ATOM 740 O SER A 47 -1.214 17.125 -2.449 1.00 0.00 O ATOM 741 CB SER A 47 -2.325 19.924 -1.614 1.00 0.00 C ATOM 742 OG SER A 47 -3.496 20.173 -0.857 1.00 0.00 O ATOM 0 H SER A 47 -0.252 20.604 -0.337 1.00 0.00 H new ATOM 0 HA SER A 47 -2.004 18.287 -0.265 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.797 20.861 -1.791 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.598 19.523 -2.590 1.00 0.00 H new ATOM 0 HG SER A 47 -4.069 20.806 -1.339 1.00 0.00 H new ATOM 748 N HIS A 48 0.595 18.424 -2.159 1.00 0.00 N ATOM 749 CA HIS A 48 1.412 17.681 -3.102 1.00 0.00 C ATOM 750 C HIS A 48 2.016 16.451 -2.436 1.00 0.00 C ATOM 751 O HIS A 48 2.293 15.448 -3.097 1.00 0.00 O ATOM 752 CB HIS A 48 2.513 18.582 -3.646 1.00 0.00 C ATOM 753 CG HIS A 48 3.177 18.045 -4.877 1.00 0.00 C ATOM 754 ND1 HIS A 48 4.191 17.112 -4.839 1.00 0.00 N ATOM 755 CD2 HIS A 48 2.964 18.316 -6.186 1.00 0.00 C ATOM 756 CE1 HIS A 48 4.574 16.832 -6.072 1.00 0.00 C ATOM 757 NE2 HIS A 48 3.845 17.548 -6.908 1.00 0.00 N ATOM 0 H HIS A 48 1.069 19.214 -1.721 1.00 0.00 H new ATOM 0 HA HIS A 48 0.783 17.346 -3.927 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.091 19.562 -3.869 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.266 18.728 -2.872 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.237 19.007 -6.588 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.352 16.136 -6.349 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.923 17.533 -7.925 1.00 0.00 H new ATOM 766 N MET A 49 2.215 16.530 -1.124 1.00 0.00 N ATOM 767 CA MET A 49 2.780 15.418 -0.373 1.00 0.00 C ATOM 768 C MET A 49 1.773 14.283 -0.258 1.00 0.00 C ATOM 769 O MET A 49 2.144 13.111 -0.262 1.00 0.00 O ATOM 770 CB MET A 49 3.214 15.879 1.021 1.00 0.00 C ATOM 771 CG MET A 49 4.367 16.869 1.001 1.00 0.00 C ATOM 772 SD MET A 49 5.972 16.067 1.186 1.00 0.00 S ATOM 773 CE MET A 49 6.841 17.272 2.185 1.00 0.00 C ATOM 0 H MET A 49 1.993 17.351 -0.561 1.00 0.00 H new ATOM 0 HA MET A 49 3.656 15.054 -0.910 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.362 16.336 1.525 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.504 15.008 1.609 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.348 17.424 0.063 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.233 17.594 1.804 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.790 16.852 2.518 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.028 18.168 1.593 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.234 17.531 3.053 1.00 0.00 H new ATOM 783 N LYS A 50 0.495 14.636 -0.167 1.00 0.00 N ATOM 784 CA LYS A 50 -0.554 13.633 -0.065 1.00 0.00 C ATOM 785 C LYS A 50 -0.675 12.860 -1.367 1.00 0.00 C ATOM 786 O LYS A 50 -0.951 11.661 -1.363 1.00 0.00 O ATOM 787 CB LYS A 50 -1.893 14.272 0.277 1.00 0.00 C ATOM 788 CG LYS A 50 -1.805 15.344 1.351 1.00 0.00 C ATOM 789 CD LYS A 50 -2.986 15.278 2.305 1.00 0.00 C ATOM 790 CE LYS A 50 -4.263 15.777 1.648 1.00 0.00 C ATOM 791 NZ LYS A 50 -4.952 14.700 0.885 1.00 0.00 N ATOM 0 H LYS A 50 0.164 15.601 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.282 12.947 0.738 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.317 14.710 -0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.582 13.495 0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.877 15.224 1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.770 16.327 0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.126 14.251 2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.773 15.877 3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.935 16.168 2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.027 16.603 0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.963 14.927 0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.534 14.625 -0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.841 13.795 1.385 1.00 0.00 H new ATOM 805 N LYS A 51 -0.446 13.546 -2.483 1.00 0.00 N ATOM 806 CA LYS A 51 -0.510 12.902 -3.787 1.00 0.00 C ATOM 807 C LYS A 51 0.416 11.694 -3.802 1.00 0.00 C ATOM 808 O LYS A 51 0.136 10.686 -4.449 1.00 0.00 O ATOM 809 CB LYS A 51 -0.123 13.886 -4.895 1.00 0.00 C ATOM 810 CG LYS A 51 -1.295 14.316 -5.762 1.00 0.00 C ATOM 811 CD LYS A 51 -1.599 13.288 -6.840 1.00 0.00 C ATOM 812 CE LYS A 51 -1.959 13.953 -8.159 1.00 0.00 C ATOM 813 NZ LYS A 51 -3.426 14.164 -8.292 1.00 0.00 N ATOM 0 H LYS A 51 -0.216 14.539 -2.509 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.533 12.573 -3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.328 14.770 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.637 13.428 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.177 14.461 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.072 15.276 -6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.733 12.641 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.422 12.652 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.446 14.912 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.605 13.336 -8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.630 14.619 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.914 13.247 -8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.761 14.773 -7.518 1.00 0.00 H new ATOM 827 N GLN A 52 1.511 11.801 -3.054 1.00 0.00 N ATOM 828 CA GLN A 52 2.470 10.715 -2.949 1.00 0.00 C ATOM 829 C GLN A 52 1.972 9.665 -1.957 1.00 0.00 C ATOM 830 O GLN A 52 2.409 8.516 -1.985 1.00 0.00 O ATOM 831 CB GLN A 52 3.835 11.248 -2.508 1.00 0.00 C ATOM 832 CG GLN A 52 4.516 12.115 -3.554 1.00 0.00 C ATOM 833 CD GLN A 52 6.021 11.936 -3.569 1.00 0.00 C ATOM 834 OE1 GLN A 52 6.546 11.045 -4.238 1.00 0.00 O ATOM 835 NE2 GLN A 52 6.725 12.783 -2.828 1.00 0.00 N ATOM 0 H GLN A 52 1.753 12.631 -2.513 1.00 0.00 H new ATOM 0 HA GLN A 52 2.577 10.252 -3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.711 11.827 -1.593 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.484 10.406 -2.267 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.115 11.873 -4.538 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.280 13.162 -3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.249 13.506 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.742 12.710 -2.798 1.00 0.00 H new ATOM 844 N LYS A 53 1.045 10.068 -1.085 1.00 0.00 N ATOM 845 CA LYS A 53 0.480 9.162 -0.094 1.00 0.00 C ATOM 846 C LYS A 53 -0.251 8.014 -0.772 1.00 0.00 C ATOM 847 O LYS A 53 0.123 6.851 -0.632 1.00 0.00 O ATOM 848 CB LYS A 53 -0.487 9.917 0.810 1.00 0.00 C ATOM 849 CG LYS A 53 -0.519 9.401 2.239 1.00 0.00 C ATOM 850 CD LYS A 53 -1.724 9.933 2.998 1.00 0.00 C ATOM 851 CE LYS A 53 -2.820 8.886 3.110 1.00 0.00 C ATOM 852 NZ LYS A 53 -4.142 9.495 3.425 1.00 0.00 N ATOM 0 H LYS A 53 0.672 11.017 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 53 1.296 8.756 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.212 10.972 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.490 9.853 0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.544 8.311 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.395 9.696 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.417 10.248 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.114 10.816 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.890 8.332 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.557 8.168 3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.861 8.747 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.084 10.002 4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.406 10.162 2.671 1.00 0.00 H new ATOM 866 N LEU A 54 -1.296 8.360 -1.513 1.00 0.00 N ATOM 867 CA LEU A 54 -2.090 7.374 -2.230 1.00 0.00 C ATOM 868 C LEU A 54 -1.208 6.578 -3.180 1.00 0.00 C ATOM 869 O LEU A 54 -1.528 5.446 -3.543 1.00 0.00 O ATOM 870 CB LEU A 54 -3.217 8.058 -3.009 1.00 0.00 C ATOM 871 CG LEU A 54 -4.160 7.107 -3.751 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.600 7.329 -3.312 1.00 0.00 C ATOM 873 CD2 LEU A 54 -4.028 7.288 -5.256 1.00 0.00 C ATOM 0 H LEU A 54 -1.614 9.322 -1.633 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.532 6.692 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.804 8.660 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.775 8.744 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.879 6.084 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.254 6.644 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.686 7.146 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.892 8.356 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.706 6.603 -5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.280 8.314 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.003 7.076 -5.559 1.00 0.00 H new ATOM 885 N LYS A 55 -0.083 7.174 -3.563 1.00 0.00 N ATOM 886 CA LYS A 55 0.857 6.510 -4.455 1.00 0.00 C ATOM 887 C LYS A 55 1.698 5.531 -3.665 1.00 0.00 C ATOM 888 O LYS A 55 1.801 4.356 -4.017 1.00 0.00 O ATOM 889 CB LYS A 55 1.743 7.532 -5.173 1.00 0.00 C ATOM 890 CG LYS A 55 1.659 7.452 -6.688 1.00 0.00 C ATOM 891 CD LYS A 55 2.121 8.746 -7.339 1.00 0.00 C ATOM 892 CE LYS A 55 2.065 8.657 -8.856 1.00 0.00 C ATOM 893 NZ LYS A 55 2.300 9.979 -9.499 1.00 0.00 N ATOM 0 H LYS A 55 0.197 8.110 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 55 0.298 5.965 -5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.458 8.535 -4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.778 7.382 -4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.272 6.625 -7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.632 7.239 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.494 9.570 -6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.140 8.970 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.813 7.945 -9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.092 8.273 -9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.254 9.875 -10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.572 10.652 -9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.239 10.335 -9.229 1.00 0.00 H new ATOM 907 N LEU A 56 2.259 6.009 -2.565 1.00 0.00 N ATOM 908 CA LEU A 56 3.042 5.155 -1.698 1.00 0.00 C ATOM 909 C LEU A 56 2.109 4.190 -0.978 1.00 0.00 C ATOM 910 O LEU A 56 2.556 3.235 -0.341 1.00 0.00 O ATOM 911 CB LEU A 56 3.837 5.984 -0.689 1.00 0.00 C ATOM 912 CG LEU A 56 5.199 6.475 -1.182 1.00 0.00 C ATOM 913 CD1 LEU A 56 6.161 5.308 -1.338 1.00 0.00 C ATOM 914 CD2 LEU A 56 5.052 7.226 -2.498 1.00 0.00 C ATOM 0 H LEU A 56 2.185 6.978 -2.256 1.00 0.00 H new ATOM 0 HA LEU A 56 3.756 4.593 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.239 6.849 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.987 5.387 0.210 1.00 0.00 H new ATOM 0 HG LEU A 56 5.607 7.161 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.125 5.676 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.291 4.812 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.758 4.598 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.031 7.568 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.622 6.563 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.397 8.086 -2.355 1.00 0.00 H new ATOM 926 N LYS A 57 0.801 4.432 -1.106 1.00 0.00 N ATOM 927 CA LYS A 57 -0.190 3.566 -0.490 1.00 0.00 C ATOM 928 C LYS A 57 -0.508 2.415 -1.429 1.00 0.00 C ATOM 929 O LYS A 57 -0.847 1.318 -0.991 1.00 0.00 O ATOM 930 CB LYS A 57 -1.470 4.340 -0.162 1.00 0.00 C ATOM 931 CG LYS A 57 -2.606 3.455 0.332 1.00 0.00 C ATOM 932 CD LYS A 57 -3.953 4.145 0.187 1.00 0.00 C ATOM 933 CE LYS A 57 -4.540 3.936 -1.200 1.00 0.00 C ATOM 934 NZ LYS A 57 -6.001 3.654 -1.148 1.00 0.00 N ATOM 0 H LYS A 57 0.412 5.217 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 57 0.219 3.179 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.247 5.089 0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.799 4.876 -1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.612 2.521 -0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.439 3.197 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.643 3.759 0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.839 5.212 0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.363 4.824 -1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.028 3.108 -1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.363 3.518 -2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.169 2.792 -0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.494 4.455 -0.704 1.00 0.00 H new ATOM 948 N ASP A 58 -0.390 2.673 -2.727 1.00 0.00 N ATOM 949 CA ASP A 58 -0.657 1.657 -3.729 1.00 0.00 C ATOM 950 C ASP A 58 0.283 0.475 -3.545 1.00 0.00 C ATOM 951 O ASP A 58 -0.097 -0.671 -3.773 1.00 0.00 O ATOM 952 CB ASP A 58 -0.503 2.238 -5.136 1.00 0.00 C ATOM 953 CG ASP A 58 -1.813 2.757 -5.693 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.616 1.936 -6.183 1.00 0.00 O ATOM 955 OD2 ASP A 58 -2.036 3.985 -5.640 1.00 0.00 O ATOM 0 H ASP A 58 -0.111 3.578 -3.106 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.684 1.313 -3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.226 3.048 -5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.107 1.471 -5.802 1.00 0.00 H new ATOM 960 N GLU A 59 1.512 0.761 -3.126 1.00 0.00 N ATOM 961 CA GLU A 59 2.500 -0.290 -2.908 1.00 0.00 C ATOM 962 C GLU A 59 2.169 -1.095 -1.655 1.00 0.00 C ATOM 963 O GLU A 59 2.274 -2.322 -1.649 1.00 0.00 O ATOM 964 CB GLU A 59 3.902 0.307 -2.796 1.00 0.00 C ATOM 965 CG GLU A 59 4.012 1.428 -1.776 1.00 0.00 C ATOM 966 CD GLU A 59 5.448 1.842 -1.517 1.00 0.00 C ATOM 967 OE1 GLU A 59 6.318 1.519 -2.351 1.00 0.00 O ATOM 968 OE2 GLU A 59 5.701 2.490 -0.479 1.00 0.00 O ATOM 0 H GLU A 59 1.846 1.705 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 59 2.473 -0.962 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.603 -0.484 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.204 0.686 -3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.447 2.291 -2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.555 1.108 -0.839 1.00 0.00 H new ATOM 975 N ILE A 60 1.758 -0.401 -0.598 1.00 0.00 N ATOM 976 CA ILE A 60 1.399 -1.058 0.652 1.00 0.00 C ATOM 977 C ILE A 60 0.039 -1.729 0.512 1.00 0.00 C ATOM 978 O ILE A 60 -0.193 -2.813 1.047 1.00 0.00 O ATOM 979 CB ILE A 60 1.362 -0.057 1.829 1.00 0.00 C ATOM 980 CG1 ILE A 60 2.778 0.428 2.161 1.00 0.00 C ATOM 981 CG2 ILE A 60 0.706 -0.681 3.057 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.655 -0.619 2.822 1.00 0.00 C ATOM 0 H ILE A 60 1.666 0.615 -0.583 1.00 0.00 H new ATOM 0 HA ILE A 60 2.162 -1.807 0.866 1.00 0.00 H new ATOM 0 HB ILE A 60 0.762 0.802 1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.260 0.762 1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.708 1.295 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.693 0.044 3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.316 -0.973 2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.272 -1.561 3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.639 -0.195 3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.198 -0.937 3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.759 -1.478 2.159 1.00 0.00 H new ATOM 994 N HIS A 61 -0.850 -1.078 -0.229 1.00 0.00 N ATOM 995 CA HIS A 61 -2.184 -1.609 -0.465 1.00 0.00 C ATOM 996 C HIS A 61 -2.103 -2.776 -1.433 1.00 0.00 C ATOM 997 O HIS A 61 -2.796 -3.781 -1.274 1.00 0.00 O ATOM 998 CB HIS A 61 -3.104 -0.522 -1.023 1.00 0.00 C ATOM 999 CG HIS A 61 -4.512 -0.984 -1.239 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.212 -1.194 -2.379 1.00 0.00 N flip ATOM 1001 CD2 HIS A 61 -5.372 -1.287 -0.203 1.00 0.00 C flip ATOM 1002 CE1 HIS A 61 -6.467 -1.615 -2.015 1.00 0.00 C flip ATOM 1003 NE2 HIS A 61 -6.538 -1.664 -0.698 1.00 0.00 N flip ATOM 0 H HIS A 61 -0.669 -0.180 -0.677 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.599 -1.955 0.482 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.109 0.326 -0.338 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.698 -0.164 -1.969 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.130 -1.226 0.848 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.267 -1.866 -2.696 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.354 -1.945 -0.155 1.00 0.00 H new ATOM 1012 N SER A 62 -1.234 -2.640 -2.426 1.00 0.00 N ATOM 1013 CA SER A 62 -1.041 -3.694 -3.412 1.00 0.00 C ATOM 1014 C SER A 62 -0.402 -4.912 -2.756 1.00 0.00 C ATOM 1015 O SER A 62 -0.640 -6.047 -3.169 1.00 0.00 O ATOM 1016 CB SER A 62 -0.168 -3.204 -4.568 1.00 0.00 C ATOM 1017 OG SER A 62 0.088 -4.246 -5.492 1.00 0.00 O ATOM 0 H SER A 62 -0.654 -1.813 -2.570 1.00 0.00 H new ATOM 0 HA SER A 62 -2.016 -3.972 -3.812 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.663 -2.377 -5.076 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.775 -2.820 -4.178 1.00 0.00 H new ATOM 0 HG SER A 62 0.647 -3.906 -6.222 1.00 0.00 H new ATOM 1023 N MET A 63 0.409 -4.668 -1.728 1.00 0.00 N ATOM 1024 CA MET A 63 1.075 -5.752 -1.016 1.00 0.00 C ATOM 1025 C MET A 63 0.054 -6.693 -0.387 1.00 0.00 C ATOM 1026 O MET A 63 0.212 -7.912 -0.432 1.00 0.00 O ATOM 1027 CB MET A 63 2.006 -5.190 0.061 1.00 0.00 C ATOM 1028 CG MET A 63 3.424 -4.943 -0.428 1.00 0.00 C ATOM 1029 SD MET A 63 4.228 -6.446 -1.017 1.00 0.00 S ATOM 1030 CE MET A 63 5.616 -6.552 0.110 1.00 0.00 C ATOM 0 H MET A 63 0.619 -3.735 -1.373 1.00 0.00 H new ATOM 0 HA MET A 63 1.668 -6.317 -1.735 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.592 -4.254 0.435 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.036 -5.884 0.901 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.404 -4.207 -1.232 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.014 -4.514 0.382 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.534 -6.291 -0.417 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.465 -5.861 0.939 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.695 -7.569 0.495 1.00 0.00 H new ATOM 1040 N ILE A 64 -0.998 -6.121 0.194 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.042 -6.919 0.823 1.00 0.00 C ATOM 1042 C ILE A 64 -2.710 -7.830 -0.198 1.00 0.00 C ATOM 1043 O ILE A 64 -2.918 -9.015 0.058 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.109 -6.028 1.486 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -2.489 -5.230 2.634 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.280 -6.864 1.989 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -2.692 -3.739 2.505 1.00 0.00 C ATOM 0 H ILE A 64 -1.148 -5.113 0.241 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.566 -7.525 1.594 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.489 -5.332 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.920 -5.568 3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.421 -5.441 2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.020 -6.212 2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.736 -7.392 1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.923 -7.587 2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.228 -3.234 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.236 -3.389 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.759 -3.517 2.491 1.00 0.00 H new ATOM 1059 N ILE A 65 -3.034 -7.275 -1.360 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.665 -8.049 -2.419 1.00 0.00 C ATOM 1061 C ILE A 65 -2.802 -9.250 -2.773 1.00 0.00 C ATOM 1062 O ILE A 65 -3.292 -10.373 -2.882 1.00 0.00 O ATOM 1063 CB ILE A 65 -3.889 -7.202 -3.684 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.611 -5.898 -3.337 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.677 -7.992 -4.720 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.909 -6.104 -2.585 1.00 0.00 C ATOM 0 H ILE A 65 -2.870 -6.295 -1.591 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.635 -8.381 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.917 -6.952 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.948 -5.274 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.817 -5.351 -4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.827 -7.379 -5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.124 -8.892 -4.989 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.645 -8.272 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.364 -5.137 -2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.590 -6.701 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.708 -6.623 -1.648 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.507 -9.004 -2.930 1.00 0.00 N ATOM 1079 CA GLU A 66 -0.566 -10.064 -3.247 1.00 0.00 C ATOM 1080 C GLU A 66 -0.279 -10.900 -2.003 1.00 0.00 C ATOM 1081 O GLU A 66 0.217 -12.022 -2.097 1.00 0.00 O ATOM 1082 CB GLU A 66 0.735 -9.478 -3.800 1.00 0.00 C ATOM 1083 CG GLU A 66 1.215 -10.156 -5.073 1.00 0.00 C ATOM 1084 CD GLU A 66 0.757 -9.435 -6.327 1.00 0.00 C ATOM 1085 OE1 GLU A 66 1.325 -8.366 -6.637 1.00 0.00 O ATOM 1086 OE2 GLU A 66 -0.168 -9.939 -6.997 1.00 0.00 O ATOM 0 H GLU A 66 -1.087 -8.079 -2.842 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.009 -10.705 -4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.591 -8.416 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.512 -9.559 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.304 -10.207 -5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.848 -11.182 -5.094 1.00 0.00 H new ATOM 1093 N TYR A 67 -0.602 -10.344 -0.834 1.00 0.00 N ATOM 1094 CA TYR A 67 -0.381 -11.044 0.427 1.00 0.00 C ATOM 1095 C TYR A 67 -1.543 -11.980 0.739 1.00 0.00 C ATOM 1096 O TYR A 67 -1.348 -13.066 1.284 1.00 0.00 O ATOM 1097 CB TYR A 67 -0.199 -10.043 1.567 1.00 0.00 C ATOM 1098 CG TYR A 67 0.257 -10.679 2.862 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -0.590 -11.511 3.585 1.00 0.00 C ATOM 1100 CD2 TYR A 67 1.532 -10.450 3.360 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -0.178 -12.096 4.766 1.00 0.00 C ATOM 1102 CE2 TYR A 67 1.953 -11.031 4.541 1.00 0.00 C ATOM 1103 CZ TYR A 67 1.095 -11.853 5.240 1.00 0.00 C ATOM 1104 OH TYR A 67 1.508 -12.433 6.417 1.00 0.00 O ATOM 0 H TYR A 67 -1.015 -9.416 -0.737 1.00 0.00 H new ATOM 0 HA TYR A 67 0.527 -11.639 0.328 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.529 -9.290 1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.142 -9.524 1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.587 -11.703 3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.207 -9.807 2.815 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.848 -12.740 5.316 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.949 -10.842 4.914 1.00 0.00 H new ATOM 0 HH TYR A 67 2.430 -12.162 6.610 1.00 0.00 H new ATOM 1114 N ARG A 68 -2.752 -11.553 0.392 1.00 0.00 N ATOM 1115 CA ARG A 68 -3.941 -12.359 0.637 1.00 0.00 C ATOM 1116 C ARG A 68 -4.033 -13.504 -0.366 1.00 0.00 C ATOM 1117 O ARG A 68 -4.561 -14.571 -0.059 1.00 0.00 O ATOM 1118 CB ARG A 68 -5.201 -11.491 0.569 1.00 0.00 C ATOM 1119 CG ARG A 68 -5.479 -10.923 -0.815 1.00 0.00 C ATOM 1120 CD ARG A 68 -6.886 -11.258 -1.286 1.00 0.00 C ATOM 1121 NE ARG A 68 -7.483 -10.163 -2.045 1.00 0.00 N ATOM 1122 CZ ARG A 68 -8.791 -10.037 -2.260 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -9.639 -10.937 -1.779 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -9.250 -9.008 -2.960 1.00 0.00 N ATOM 0 H ARG A 68 -2.934 -10.656 -0.058 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.864 -12.783 1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.058 -12.085 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.103 -10.668 1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.349 -9.841 -0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.753 -11.320 -1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.857 -12.155 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.513 -11.486 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.862 -9.453 -2.433 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.290 -11.730 -1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.640 -10.835 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.601 -8.315 -3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.252 -8.910 -3.126 1.00 0.00 H new ATOM 1138 N GLU A 69 -3.503 -13.276 -1.565 1.00 0.00 N ATOM 1139 CA GLU A 69 -3.513 -14.293 -2.609 1.00 0.00 C ATOM 1140 C GLU A 69 -2.303 -15.214 -2.476 1.00 0.00 C ATOM 1141 O GLU A 69 -2.275 -16.301 -3.047 1.00 0.00 O ATOM 1142 CB GLU A 69 -3.529 -13.638 -3.993 1.00 0.00 C ATOM 1143 CG GLU A 69 -4.592 -14.200 -4.920 1.00 0.00 C ATOM 1144 CD GLU A 69 -4.113 -14.321 -6.353 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -2.982 -14.808 -6.562 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -4.868 -13.927 -7.267 1.00 0.00 O ATOM 0 H GLU A 69 -3.062 -12.397 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.417 -14.891 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.690 -12.566 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.551 -13.765 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.900 -15.182 -4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.472 -13.558 -4.888 1.00 0.00 H new ATOM 1153 N LYS A 70 -1.315 -14.776 -1.702 1.00 0.00 N ATOM 1154 CA LYS A 70 -0.113 -15.552 -1.465 1.00 0.00 C ATOM 1155 C LYS A 70 -0.315 -16.415 -0.232 1.00 0.00 C ATOM 1156 O LYS A 70 0.048 -17.586 -0.216 1.00 0.00 O ATOM 1157 CB LYS A 70 1.094 -14.626 -1.277 1.00 0.00 C ATOM 1158 CG LYS A 70 2.333 -15.329 -0.746 1.00 0.00 C ATOM 1159 CD LYS A 70 3.457 -14.343 -0.462 1.00 0.00 C ATOM 1160 CE LYS A 70 4.738 -14.730 -1.185 1.00 0.00 C ATOM 1161 NZ LYS A 70 5.440 -13.542 -1.745 1.00 0.00 N ATOM 0 H LYS A 70 -1.329 -13.875 -1.225 1.00 0.00 H new ATOM 0 HA LYS A 70 0.082 -16.190 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.334 -14.160 -2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.821 -13.824 -0.591 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.083 -15.869 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.672 -16.069 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.152 -13.343 -0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.643 -14.301 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.401 -15.252 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.504 -15.427 -1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.308 -13.848 -2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.817 -13.058 -2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.686 -12.889 -0.974 1.00 0.00 H new ATOM 1175 N GLN A 71 -0.914 -15.823 0.794 1.00 0.00 N ATOM 1176 CA GLN A 71 -1.184 -16.536 2.031 1.00 0.00 C ATOM 1177 C GLN A 71 -2.321 -17.524 1.827 1.00 0.00 C ATOM 1178 O GLN A 71 -2.343 -18.589 2.435 1.00 0.00 O ATOM 1179 CB GLN A 71 -1.529 -15.556 3.152 1.00 0.00 C ATOM 1180 CG GLN A 71 -1.782 -16.228 4.491 1.00 0.00 C ATOM 1181 CD GLN A 71 -2.738 -15.441 5.367 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -3.763 -14.946 4.899 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -2.404 -15.322 6.646 1.00 0.00 N ATOM 0 H GLN A 71 -1.221 -14.850 0.791 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.287 -17.085 2.318 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.714 -14.841 3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.415 -14.988 2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.188 -17.226 4.322 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.835 -16.354 5.015 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.544 -15.749 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.007 -14.803 7.284 1.00 0.00 H new ATOM 1192 N LYS A 72 -3.257 -17.177 0.955 1.00 0.00 N ATOM 1193 CA LYS A 72 -4.376 -18.064 0.679 1.00 0.00 C ATOM 1194 C LYS A 72 -3.986 -19.091 -0.374 1.00 0.00 C ATOM 1195 O LYS A 72 -4.547 -20.182 -0.432 1.00 0.00 O ATOM 1196 CB LYS A 72 -5.605 -17.272 0.228 1.00 0.00 C ATOM 1197 CG LYS A 72 -6.900 -18.062 0.310 1.00 0.00 C ATOM 1198 CD LYS A 72 -8.092 -17.223 -0.122 1.00 0.00 C ATOM 1199 CE LYS A 72 -9.322 -18.084 -0.359 1.00 0.00 C ATOM 1200 NZ LYS A 72 -10.015 -18.426 0.914 1.00 0.00 N ATOM 0 H LYS A 72 -3.265 -16.300 0.434 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.633 -18.587 1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.696 -16.376 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.456 -16.940 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.828 -18.947 -0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.050 -18.411 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.310 -16.478 0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.845 -16.680 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.012 -17.557 -1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.030 -19.001 -0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.848 -19.014 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.365 -18.951 1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.317 -17.552 1.391 1.00 0.00 H new ATOM 1214 N SER A 73 -2.996 -18.751 -1.183 1.00 0.00 N ATOM 1215 CA SER A 73 -2.509 -19.666 -2.195 1.00 0.00 C ATOM 1216 C SER A 73 -1.445 -20.549 -1.575 1.00 0.00 C ATOM 1217 O SER A 73 -1.348 -21.739 -1.875 1.00 0.00 O ATOM 1218 CB SER A 73 -1.932 -18.901 -3.378 1.00 0.00 C ATOM 1219 OG SER A 73 -1.377 -19.783 -4.338 1.00 0.00 O ATOM 0 H SER A 73 -2.517 -17.851 -1.157 1.00 0.00 H new ATOM 0 HA SER A 73 -3.334 -20.277 -2.561 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.714 -18.300 -3.842 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.165 -18.210 -3.028 1.00 0.00 H new ATOM 0 HG SER A 73 -1.015 -19.265 -5.087 1.00 0.00 H new ATOM 1225 N GLU A 74 -0.653 -19.950 -0.688 1.00 0.00 N ATOM 1226 CA GLU A 74 0.403 -20.683 -0.001 1.00 0.00 C ATOM 1227 C GLU A 74 -0.140 -21.397 1.234 1.00 0.00 C ATOM 1228 O GLU A 74 0.154 -22.572 1.455 1.00 0.00 O ATOM 1229 CB GLU A 74 1.546 -19.748 0.402 1.00 0.00 C ATOM 1230 CG GLU A 74 2.286 -19.144 -0.779 1.00 0.00 C ATOM 1231 CD GLU A 74 3.349 -18.151 -0.353 1.00 0.00 C ATOM 1232 OE1 GLU A 74 3.268 -17.644 0.785 1.00 0.00 O ATOM 1233 OE2 GLU A 74 4.265 -17.881 -1.159 1.00 0.00 O ATOM 0 H GLU A 74 -0.723 -18.965 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 74 0.788 -21.429 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.145 -18.943 1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.255 -20.300 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.750 -19.942 -1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.572 -18.647 -1.435 1.00 0.00 H new ATOM 1240 N ARG A 75 -0.937 -20.693 2.042 1.00 0.00 N ATOM 1241 CA ARG A 75 -1.504 -21.295 3.244 1.00 0.00 C ATOM 1242 C ARG A 75 -2.863 -21.915 2.951 1.00 0.00 C ATOM 1243 O ARG A 75 -3.218 -22.948 3.519 1.00 0.00 O ATOM 1244 CB ARG A 75 -1.623 -20.269 4.375 1.00 0.00 C ATOM 1245 CG ARG A 75 -0.452 -19.302 4.449 1.00 0.00 C ATOM 1246 CD ARG A 75 -0.159 -18.891 5.883 1.00 0.00 C ATOM 1247 NE ARG A 75 0.085 -20.045 6.746 1.00 0.00 N ATOM 1248 CZ ARG A 75 0.385 -19.955 8.038 1.00 0.00 C ATOM 1249 NH1 ARG A 75 0.482 -18.766 8.622 1.00 0.00 N ATOM 1250 NH2 ARG A 75 0.589 -21.055 8.751 1.00 0.00 N ATOM 0 H ARG A 75 -1.200 -19.720 1.887 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.825 -22.083 3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.544 -19.701 4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.707 -20.797 5.325 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.433 -19.767 4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.672 -18.416 3.853 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.711 -18.235 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.999 -18.317 6.274 1.00 0.00 H new ATOM 0 HE ARG A 75 0.021 -20.975 6.332 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.326 -17.917 8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.712 -18.702 9.614 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.516 -21.971 8.308 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.819 -20.985 9.742 1.00 0.00 H new ATOM 1264 N ALA A 76 -3.624 -21.275 2.062 1.00 0.00 N ATOM 1265 CA ALA A 76 -4.954 -21.767 1.698 1.00 0.00 C ATOM 1266 C ALA A 76 -5.740 -22.227 2.924 1.00 0.00 C ATOM 1267 O ALA A 76 -6.673 -23.040 2.757 1.00 0.00 O ATOM 1268 CB ALA A 76 -4.838 -22.898 0.688 1.00 0.00 C ATOM 1269 OXT ALA A 76 -5.414 -21.771 4.040 1.00 0.00 O ATOM 0 H ALA A 76 -3.344 -20.419 1.583 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.502 -20.940 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.834 -23.255 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.335 -22.535 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.262 -23.716 1.122 1.00 0.00 H new TER 1275 ALA A 76