USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.018) USER MOD Single : A 1 MET CE :methyl -147:sc= -0.424 (180deg=-2.36) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 44:sc= 0.744 USER MOD Single : A -2 GLY N :NH3+ -142:sc= 0.0365 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -3.76! USER MOD Single : A 20 HIS :FLIP no HE2:sc= -1.71! C(o=-2.4!,f=-1.7!) USER MOD Single : A 30 SER OG : rot 140:sc= -2.38! USER MOD Single : A 40 SER OG : rot -160:sc= -1.16 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 57 HIS : no HE2:sc= -9.68! C(o=-9.7!,f=-11!) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -0.339 (180deg=-1.47!) USER MOD Single : A 76 SER OG : rot 36:sc= 0.055 USER MOD Single : A 87 GLN : amide:sc=-0.00491 X(o=-0.0049,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 18.002 4.624 -3.035 1.00 0.00 N ATOM 2 CA GLY A -2 18.203 6.061 -3.104 1.00 0.00 C ATOM 3 C GLY A -2 17.302 6.690 -4.169 1.00 0.00 C ATOM 4 O GLY A -2 16.175 6.242 -4.377 1.00 0.00 O ATOM 0 H1 GLY A -2 18.050 4.314 -2.043 1.00 0.00 H new ATOM 0 H2 GLY A -2 17.069 4.385 -3.428 1.00 0.00 H new ATOM 0 H3 GLY A -2 18.743 4.143 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A -2 17.991 6.508 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A -2 19.247 6.275 -3.333 1.00 0.00 H new ATOM 8 N SER A -1 17.832 7.718 -4.816 1.00 0.00 N ATOM 9 CA SER A -1 17.089 8.412 -5.854 1.00 0.00 C ATOM 10 C SER A -1 16.826 7.469 -7.029 1.00 0.00 C ATOM 11 O SER A -1 17.562 7.479 -8.015 1.00 0.00 O ATOM 12 CB SER A -1 17.842 9.656 -6.330 1.00 0.00 C ATOM 13 OG SER A -1 19.118 9.333 -6.875 1.00 0.00 O ATOM 0 H SER A -1 18.767 8.087 -4.641 1.00 0.00 H new ATOM 0 HA SER A -1 16.136 8.734 -5.436 1.00 0.00 H new ATOM 0 HB2 SER A -1 17.247 10.174 -7.083 1.00 0.00 H new ATOM 0 HB3 SER A -1 17.969 10.345 -5.495 1.00 0.00 H new ATOM 0 HG SER A -1 19.035 8.552 -7.461 1.00 0.00 H new ATOM 19 N HIS A 0 15.774 6.676 -6.886 1.00 0.00 N ATOM 20 CA HIS A 0 15.405 5.728 -7.923 1.00 0.00 C ATOM 21 C HIS A 0 14.041 5.115 -7.596 1.00 0.00 C ATOM 22 O HIS A 0 13.805 4.683 -6.469 1.00 0.00 O ATOM 23 CB HIS A 0 16.498 4.675 -8.112 1.00 0.00 C ATOM 24 CG HIS A 0 16.348 3.853 -9.370 1.00 0.00 C ATOM 25 ND1 HIS A 0 17.309 3.824 -10.366 1.00 0.00 N ATOM 26 CD2 HIS A 0 15.342 3.029 -9.781 1.00 0.00 C ATOM 27 CE1 HIS A 0 16.888 3.017 -11.329 1.00 0.00 C ATOM 28 NE2 HIS A 0 15.669 2.526 -10.965 1.00 0.00 N ATOM 0 H HIS A 0 15.166 6.671 -6.067 1.00 0.00 H new ATOM 0 HA HIS A 0 15.313 6.246 -8.878 1.00 0.00 H new ATOM 0 HB2 HIS A 0 17.468 5.172 -8.128 1.00 0.00 H new ATOM 0 HB3 HIS A 0 16.497 4.006 -7.251 1.00 0.00 H new ATOM 0 HD2 HIS A 0 14.433 2.821 -9.236 1.00 0.00 H new ATOM 0 HE1 HIS A 0 17.417 2.788 -12.242 1.00 0.00 H new ATOM 0 HE2 HIS A 0 15.102 1.879 -11.512 1.00 0.00 H new ATOM 36 N MET A 1 13.180 5.097 -8.603 1.00 0.00 N ATOM 37 CA MET A 1 11.847 4.544 -8.436 1.00 0.00 C ATOM 38 C MET A 1 10.960 4.880 -9.637 1.00 0.00 C ATOM 39 O MET A 1 10.397 5.971 -9.712 1.00 0.00 O ATOM 40 CB MET A 1 11.215 5.108 -7.162 1.00 0.00 C ATOM 41 CG MET A 1 9.694 4.945 -7.185 1.00 0.00 C ATOM 42 SD MET A 1 9.097 4.547 -5.551 1.00 0.00 S ATOM 43 CE MET A 1 9.802 2.920 -5.351 1.00 0.00 C ATOM 0 H MET A 1 13.379 5.456 -9.537 1.00 0.00 H new ATOM 0 HA MET A 1 11.931 3.460 -8.361 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.626 4.597 -6.291 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.470 6.163 -7.062 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.227 5.865 -7.538 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.415 4.157 -7.885 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.133 2.305 -4.750 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.937 2.459 -6.330 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.767 3.001 -4.852 1.00 0.00 H new ATOM 53 N ASP A 2 10.864 3.922 -10.548 1.00 0.00 N ATOM 54 CA ASP A 2 10.055 4.102 -11.741 1.00 0.00 C ATOM 55 C ASP A 2 8.800 3.234 -11.638 1.00 0.00 C ATOM 56 O ASP A 2 8.757 2.291 -10.850 1.00 0.00 O ATOM 57 CB ASP A 2 10.822 3.677 -12.995 1.00 0.00 C ATOM 58 CG ASP A 2 12.290 4.107 -13.032 1.00 0.00 C ATOM 59 OD1 ASP A 2 13.084 3.479 -12.298 1.00 0.00 O ATOM 60 OD2 ASP A 2 12.586 5.053 -13.794 1.00 0.00 O ATOM 0 H ASP A 2 11.333 3.019 -10.483 1.00 0.00 H new ATOM 0 HA ASP A 2 9.796 5.158 -11.816 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.775 2.591 -13.081 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.316 4.088 -13.869 1.00 0.00 H new ATOM 65 N LEU A 3 7.809 3.584 -12.445 1.00 0.00 N ATOM 66 CA LEU A 3 6.556 2.848 -12.454 1.00 0.00 C ATOM 67 C LEU A 3 6.841 1.368 -12.714 1.00 0.00 C ATOM 68 O LEU A 3 6.304 0.499 -12.028 1.00 0.00 O ATOM 69 CB LEU A 3 5.577 3.470 -13.452 1.00 0.00 C ATOM 70 CG LEU A 3 4.623 4.524 -12.887 1.00 0.00 C ATOM 71 CD1 LEU A 3 3.422 3.867 -12.204 1.00 0.00 C ATOM 72 CD2 LEU A 3 5.359 5.485 -11.951 1.00 0.00 C ATOM 0 H LEU A 3 7.848 4.367 -13.097 1.00 0.00 H new ATOM 0 HA LEU A 3 6.069 2.913 -11.481 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.152 3.924 -14.259 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.983 2.670 -13.894 1.00 0.00 H new ATOM 0 HG LEU A 3 4.238 5.115 -13.718 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.760 4.639 -11.811 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.880 3.258 -12.928 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.769 3.236 -11.386 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.658 6.224 -11.563 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.792 4.925 -11.122 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.153 5.991 -12.500 1.00 0.00 H new ATOM 84 N GLU A 4 7.685 1.125 -13.706 1.00 0.00 N ATOM 85 CA GLU A 4 8.047 -0.235 -14.065 1.00 0.00 C ATOM 86 C GLU A 4 8.665 -0.954 -12.864 1.00 0.00 C ATOM 87 O GLU A 4 8.346 -2.112 -12.598 1.00 0.00 O ATOM 88 CB GLU A 4 8.999 -0.251 -15.263 1.00 0.00 C ATOM 89 CG GLU A 4 8.225 -0.365 -16.577 1.00 0.00 C ATOM 90 CD GLU A 4 9.173 -0.610 -17.753 1.00 0.00 C ATOM 91 OE1 GLU A 4 10.141 0.171 -17.874 1.00 0.00 O ATOM 92 OE2 GLU A 4 8.908 -1.574 -18.503 1.00 0.00 O ATOM 0 H GLU A 4 8.129 1.848 -14.273 1.00 0.00 H new ATOM 0 HA GLU A 4 7.141 -0.767 -14.356 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.598 0.659 -15.268 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.691 -1.088 -15.171 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.505 -1.181 -16.510 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.656 0.549 -16.748 1.00 0.00 H new ATOM 99 N THR A 5 9.537 -0.238 -12.170 1.00 0.00 N ATOM 100 CA THR A 5 10.202 -0.793 -11.003 1.00 0.00 C ATOM 101 C THR A 5 9.199 -0.999 -9.866 1.00 0.00 C ATOM 102 O THR A 5 9.339 -1.928 -9.071 1.00 0.00 O ATOM 103 CB THR A 5 11.359 0.136 -10.632 1.00 0.00 C ATOM 104 OG1 THR A 5 12.296 -0.036 -11.692 1.00 0.00 O ATOM 105 CG2 THR A 5 12.113 -0.337 -9.387 1.00 0.00 C ATOM 0 H THR A 5 9.799 0.722 -12.393 1.00 0.00 H new ATOM 0 HA THR A 5 10.614 -1.780 -11.214 1.00 0.00 H new ATOM 0 HB THR A 5 10.977 1.143 -10.464 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.078 0.532 -11.533 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.924 0.357 -9.167 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.428 -0.375 -8.540 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.524 -1.330 -9.566 1.00 0.00 H new ATOM 113 N LEU A 6 8.211 -0.118 -9.824 1.00 0.00 N ATOM 114 CA LEU A 6 7.186 -0.191 -8.797 1.00 0.00 C ATOM 115 C LEU A 6 6.539 -1.577 -8.827 1.00 0.00 C ATOM 116 O LEU A 6 6.402 -2.225 -7.790 1.00 0.00 O ATOM 117 CB LEU A 6 6.187 0.957 -8.954 1.00 0.00 C ATOM 118 CG LEU A 6 6.448 2.195 -8.093 1.00 0.00 C ATOM 119 CD1 LEU A 6 6.889 1.799 -6.683 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.454 3.130 -8.767 1.00 0.00 C ATOM 0 H LEU A 6 8.098 0.651 -10.485 1.00 0.00 H new ATOM 0 HA LEU A 6 7.628 -0.065 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.176 1.262 -10.000 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.191 0.580 -8.721 1.00 0.00 H new ATOM 0 HG LEU A 6 5.513 2.746 -7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.068 2.697 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.107 1.204 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.807 1.213 -6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.621 4.002 -8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.397 2.604 -8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.062 3.452 -9.732 1.00 0.00 H new ATOM 132 N ARG A 7 6.158 -1.992 -10.026 1.00 0.00 N ATOM 133 CA ARG A 7 5.528 -3.289 -10.205 1.00 0.00 C ATOM 134 C ARG A 7 6.492 -4.407 -9.801 1.00 0.00 C ATOM 135 O ARG A 7 6.063 -5.474 -9.365 1.00 0.00 O ATOM 136 CB ARG A 7 5.098 -3.497 -11.658 1.00 0.00 C ATOM 137 CG ARG A 7 4.817 -2.159 -12.344 1.00 0.00 C ATOM 138 CD ARG A 7 3.725 -2.305 -13.405 1.00 0.00 C ATOM 139 NE ARG A 7 4.327 -2.290 -14.757 1.00 0.00 N ATOM 140 CZ ARG A 7 4.957 -3.336 -15.310 1.00 0.00 C ATOM 141 NH1 ARG A 7 5.070 -4.486 -14.631 1.00 0.00 N ATOM 142 NH2 ARG A 7 5.473 -3.232 -16.542 1.00 0.00 N ATOM 0 H ARG A 7 6.274 -1.452 -10.884 1.00 0.00 H new ATOM 0 HA ARG A 7 4.644 -3.319 -9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.880 -4.030 -12.199 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.205 -4.121 -11.691 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.511 -1.423 -11.601 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.730 -1.785 -12.806 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.179 -3.236 -13.251 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.004 -1.493 -13.310 1.00 0.00 H new ATOM 0 HE ARG A 7 4.258 -1.430 -15.302 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.677 -4.565 -13.693 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.549 -5.282 -15.052 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.386 -2.357 -17.059 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.952 -4.028 -16.963 1.00 0.00 H new ATOM 156 N ALA A 8 7.777 -4.123 -9.959 1.00 0.00 N ATOM 157 CA ALA A 8 8.805 -5.091 -9.616 1.00 0.00 C ATOM 158 C ALA A 8 8.684 -5.453 -8.134 1.00 0.00 C ATOM 159 O ALA A 8 8.568 -6.627 -7.786 1.00 0.00 O ATOM 160 CB ALA A 8 10.180 -4.521 -9.967 1.00 0.00 C ATOM 0 H ALA A 8 8.129 -3.236 -10.320 1.00 0.00 H new ATOM 0 HA ALA A 8 8.676 -6.008 -10.191 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.951 -5.247 -9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.224 -4.308 -11.035 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.346 -3.601 -9.407 1.00 0.00 H new ATOM 166 N ARG A 9 8.716 -4.422 -7.302 1.00 0.00 N ATOM 167 CA ARG A 9 8.612 -4.617 -5.866 1.00 0.00 C ATOM 168 C ARG A 9 7.165 -4.925 -5.475 1.00 0.00 C ATOM 169 O ARG A 9 6.919 -5.635 -4.502 1.00 0.00 O ATOM 170 CB ARG A 9 9.086 -3.376 -5.106 1.00 0.00 C ATOM 171 CG ARG A 9 8.024 -2.275 -5.139 1.00 0.00 C ATOM 172 CD ARG A 9 8.506 -1.074 -5.955 1.00 0.00 C ATOM 173 NE ARG A 9 9.750 -0.529 -5.367 1.00 0.00 N ATOM 174 CZ ARG A 9 10.979 -0.799 -5.827 1.00 0.00 C ATOM 175 NH1 ARG A 9 11.136 -1.609 -6.883 1.00 0.00 N ATOM 176 NH2 ARG A 9 12.051 -0.260 -5.231 1.00 0.00 N ATOM 0 H ARG A 9 8.812 -3.450 -7.595 1.00 0.00 H new ATOM 0 HA ARG A 9 9.251 -5.459 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.308 -3.641 -4.072 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.012 -3.007 -5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.103 -2.666 -5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.791 -1.959 -4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.683 -1.373 -6.988 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.735 -0.304 -5.974 1.00 0.00 H new ATOM 0 HE ARG A 9 9.666 0.091 -4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.320 -2.020 -7.336 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.072 -1.815 -7.233 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.932 0.356 -4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.987 -0.466 -5.581 1.00 0.00 H new ATOM 190 N ARG A 10 6.246 -4.374 -6.255 1.00 0.00 N ATOM 191 CA ARG A 10 4.830 -4.581 -6.002 1.00 0.00 C ATOM 192 C ARG A 10 4.499 -6.074 -6.023 1.00 0.00 C ATOM 193 O ARG A 10 3.619 -6.529 -5.295 1.00 0.00 O ATOM 194 CB ARG A 10 3.974 -3.861 -7.047 1.00 0.00 C ATOM 195 CG ARG A 10 2.648 -3.394 -6.441 1.00 0.00 C ATOM 196 CD ARG A 10 2.679 -1.894 -6.145 1.00 0.00 C ATOM 197 NE ARG A 10 3.679 -1.606 -5.093 1.00 0.00 N ATOM 198 CZ ARG A 10 3.536 -1.951 -3.806 1.00 0.00 C ATOM 199 NH1 ARG A 10 2.433 -2.598 -3.404 1.00 0.00 N ATOM 200 NH2 ARG A 10 4.495 -1.649 -2.920 1.00 0.00 N ATOM 0 H ARG A 10 6.454 -3.785 -7.061 1.00 0.00 H new ATOM 0 HA ARG A 10 4.605 -4.170 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.520 -3.004 -7.442 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.779 -4.529 -7.886 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.832 -3.616 -7.128 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.450 -3.946 -5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.924 -1.341 -7.052 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.693 -1.558 -5.823 1.00 0.00 H new ATOM 0 HE ARG A 10 4.530 -1.114 -5.364 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.702 -2.828 -4.078 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.324 -2.861 -2.424 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.334 -1.156 -3.225 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.386 -1.912 -1.941 1.00 0.00 H new ATOM 214 N GLU A 11 5.223 -6.796 -6.866 1.00 0.00 N ATOM 215 CA GLU A 11 5.018 -8.229 -6.992 1.00 0.00 C ATOM 216 C GLU A 11 5.504 -8.948 -5.732 1.00 0.00 C ATOM 217 O GLU A 11 4.799 -9.793 -5.183 1.00 0.00 O ATOM 218 CB GLU A 11 5.715 -8.776 -8.239 1.00 0.00 C ATOM 219 CG GLU A 11 4.696 -9.160 -9.313 1.00 0.00 C ATOM 220 CD GLU A 11 4.008 -10.482 -8.968 1.00 0.00 C ATOM 221 OE1 GLU A 11 3.855 -10.743 -7.755 1.00 0.00 O ATOM 222 OE2 GLU A 11 3.650 -11.203 -9.925 1.00 0.00 O ATOM 0 H GLU A 11 5.953 -6.415 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 11 3.950 -8.414 -7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.401 -8.027 -8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.314 -9.647 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.949 -8.372 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.195 -9.247 -10.278 1.00 0.00 H new ATOM 229 N ALA A 12 6.707 -8.585 -5.309 1.00 0.00 N ATOM 230 CA ALA A 12 7.296 -9.184 -4.124 1.00 0.00 C ATOM 231 C ALA A 12 6.580 -8.654 -2.880 1.00 0.00 C ATOM 232 O ALA A 12 6.305 -9.409 -1.949 1.00 0.00 O ATOM 233 CB ALA A 12 8.798 -8.896 -4.099 1.00 0.00 C ATOM 0 H ALA A 12 7.289 -7.883 -5.766 1.00 0.00 H new ATOM 0 HA ALA A 12 7.172 -10.267 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.240 -9.345 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.264 -9.318 -4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.962 -7.819 -4.080 1.00 0.00 H new ATOM 239 N VAL A 13 6.297 -7.360 -2.905 1.00 0.00 N ATOM 240 CA VAL A 13 5.618 -6.720 -1.791 1.00 0.00 C ATOM 241 C VAL A 13 4.270 -7.405 -1.560 1.00 0.00 C ATOM 242 O VAL A 13 3.897 -7.680 -0.421 1.00 0.00 O ATOM 243 CB VAL A 13 5.489 -5.218 -2.050 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.630 -4.548 -0.976 1.00 0.00 C ATOM 245 CG2 VAL A 13 6.866 -4.557 -2.143 1.00 0.00 C ATOM 0 H VAL A 13 6.526 -6.737 -3.680 1.00 0.00 H new ATOM 0 HA VAL A 13 6.199 -6.829 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 13 4.989 -5.085 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.554 -3.481 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.634 -4.990 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.089 -4.696 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.745 -3.490 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.405 -4.705 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.430 -5.005 -2.961 1.00 0.00 H new ATOM 255 N LEU A 14 3.576 -7.661 -2.659 1.00 0.00 N ATOM 256 CA LEU A 14 2.277 -8.309 -2.591 1.00 0.00 C ATOM 257 C LEU A 14 2.423 -9.661 -1.890 1.00 0.00 C ATOM 258 O LEU A 14 1.598 -10.022 -1.052 1.00 0.00 O ATOM 259 CB LEU A 14 1.651 -8.402 -3.983 1.00 0.00 C ATOM 260 CG LEU A 14 0.617 -7.327 -4.327 1.00 0.00 C ATOM 261 CD1 LEU A 14 0.987 -6.606 -5.625 1.00 0.00 C ATOM 262 CD2 LEU A 14 -0.792 -7.920 -4.382 1.00 0.00 C ATOM 0 H LEU A 14 3.889 -7.431 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 14 1.585 -7.714 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.450 -8.359 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.177 -9.379 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 14 0.622 -6.581 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.236 -5.847 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.961 -6.130 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.027 -7.326 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.508 -7.135 -4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.830 -8.698 -5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.044 -8.350 -3.412 1.00 0.00 H new ATOM 274 N SER A 15 3.478 -10.372 -2.260 1.00 0.00 N ATOM 275 CA SER A 15 3.743 -11.677 -1.677 1.00 0.00 C ATOM 276 C SER A 15 4.045 -11.532 -0.184 1.00 0.00 C ATOM 277 O SER A 15 3.638 -12.371 0.619 1.00 0.00 O ATOM 278 CB SER A 15 4.905 -12.372 -2.389 1.00 0.00 C ATOM 279 OG SER A 15 4.655 -13.761 -2.588 1.00 0.00 O ATOM 0 H SER A 15 4.159 -10.069 -2.956 1.00 0.00 H new ATOM 0 HA SER A 15 2.854 -12.295 -1.802 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.078 -11.893 -3.353 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.816 -12.248 -1.803 1.00 0.00 H new ATOM 0 HG SER A 15 5.419 -14.168 -3.047 1.00 0.00 H new ATOM 285 N LEU A 16 4.755 -10.462 0.142 1.00 0.00 N ATOM 286 CA LEU A 16 5.116 -10.197 1.525 1.00 0.00 C ATOM 287 C LEU A 16 3.898 -9.645 2.268 1.00 0.00 C ATOM 288 O LEU A 16 3.651 -10.007 3.417 1.00 0.00 O ATOM 289 CB LEU A 16 6.343 -9.286 1.592 1.00 0.00 C ATOM 290 CG LEU A 16 6.334 -8.230 2.699 1.00 0.00 C ATOM 291 CD1 LEU A 16 7.703 -7.560 2.830 1.00 0.00 C ATOM 292 CD2 LEU A 16 5.216 -7.209 2.474 1.00 0.00 C ATOM 0 H LEU A 16 5.090 -9.769 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 16 5.405 -11.120 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.228 -9.910 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.447 -8.778 0.633 1.00 0.00 H new ATOM 0 HG LEU A 16 6.129 -8.730 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.668 -6.814 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.454 -8.312 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.963 -7.076 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.232 -6.470 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.366 -6.710 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.253 -7.719 2.470 1.00 0.00 H new ATOM 304 N CYS A 17 3.169 -8.776 1.582 1.00 0.00 N ATOM 305 CA CYS A 17 1.983 -8.171 2.163 1.00 0.00 C ATOM 306 C CYS A 17 1.016 -9.289 2.556 1.00 0.00 C ATOM 307 O CYS A 17 0.398 -9.235 3.618 1.00 0.00 O ATOM 308 CB CYS A 17 1.336 -7.165 1.208 1.00 0.00 C ATOM 309 SG CYS A 17 1.875 -5.468 1.627 1.00 0.00 S ATOM 0 H CYS A 17 3.377 -8.477 0.629 1.00 0.00 H new ATOM 0 HA CYS A 17 2.259 -7.603 3.051 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.611 -7.399 0.179 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.250 -7.237 1.272 1.00 0.00 H new ATOM 0 HG CYS A 17 1.322 -4.623 0.809 1.00 0.00 H new ATOM 315 N ALA A 18 0.914 -10.276 1.678 1.00 0.00 N ATOM 316 CA ALA A 18 0.033 -11.405 1.920 1.00 0.00 C ATOM 317 C ALA A 18 0.494 -12.147 3.175 1.00 0.00 C ATOM 318 O ALA A 18 -0.324 -12.686 3.919 1.00 0.00 O ATOM 319 CB ALA A 18 0.008 -12.308 0.685 1.00 0.00 C ATOM 0 H ALA A 18 1.427 -10.317 0.798 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.987 -11.064 2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.653 -13.155 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.355 -11.742 -0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.015 -12.671 0.479 1.00 0.00 H new ATOM 325 N ARG A 19 1.805 -12.151 3.373 1.00 0.00 N ATOM 326 CA ARG A 19 2.385 -12.819 4.526 1.00 0.00 C ATOM 327 C ARG A 19 2.054 -12.050 5.807 1.00 0.00 C ATOM 328 O ARG A 19 1.878 -12.648 6.867 1.00 0.00 O ATOM 329 CB ARG A 19 3.904 -12.935 4.388 1.00 0.00 C ATOM 330 CG ARG A 19 4.317 -14.375 4.077 1.00 0.00 C ATOM 331 CD ARG A 19 4.428 -14.600 2.568 1.00 0.00 C ATOM 332 NE ARG A 19 5.439 -15.643 2.284 1.00 0.00 N ATOM 333 CZ ARG A 19 6.761 -15.424 2.269 1.00 0.00 C ATOM 334 NH1 ARG A 19 7.239 -14.198 2.522 1.00 0.00 N ATOM 335 NH2 ARG A 19 7.604 -16.431 2.002 1.00 0.00 N ATOM 0 H ARG A 19 2.481 -11.703 2.755 1.00 0.00 H new ATOM 0 HA ARG A 19 1.958 -13.821 4.579 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.252 -12.273 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.383 -12.607 5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.273 -14.593 4.552 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.587 -15.066 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.461 -14.900 2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.705 -13.669 2.073 1.00 0.00 H new ATOM 0 HE ARG A 19 5.109 -16.588 2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.597 -13.432 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.245 -14.031 2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.239 -17.364 1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.610 -16.264 1.991 1.00 0.00 H new ATOM 349 N HIS A 20 1.980 -10.734 5.667 1.00 0.00 N ATOM 350 CA HIS A 20 1.673 -9.877 6.799 1.00 0.00 C ATOM 351 C HIS A 20 0.164 -9.879 7.050 1.00 0.00 C ATOM 352 O HIS A 20 -0.298 -9.397 8.084 1.00 0.00 O ATOM 353 CB HIS A 20 2.237 -8.471 6.585 1.00 0.00 C ATOM 354 CG HIS A 20 3.718 -8.355 6.858 1.00 0.00 C ATOM 355 ND1 HIS A 20 4.794 -8.657 6.077 1.00 0.00 N flip ATOM 356 CD2 HIS A 20 4.224 -7.882 8.056 1.00 0.00 C flip ATOM 357 CE1 HIS A 20 5.898 -8.381 6.760 1.00 0.00 C flip ATOM 358 NE2 HIS A 20 5.547 -7.901 7.987 1.00 0.00 N flip ATOM 0 H HIS A 20 2.127 -10.241 4.786 1.00 0.00 H new ATOM 0 HA HIS A 20 2.156 -10.266 7.696 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.042 -8.165 5.557 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.703 -7.774 7.231 1.00 0.00 H new ATOM 0 HD1 HIS A 20 4.757 -9.031 5.129 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.640 -7.553 8.903 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.908 -8.515 6.403 1.00 0.00 H new ATOM 366 N GLY A 21 -0.563 -10.425 6.087 1.00 0.00 N ATOM 367 CA GLY A 21 -2.011 -10.496 6.190 1.00 0.00 C ATOM 368 C GLY A 21 -2.680 -9.590 5.154 1.00 0.00 C ATOM 369 O GLY A 21 -3.886 -9.681 4.931 1.00 0.00 O ATOM 0 H GLY A 21 -0.177 -10.823 5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.339 -11.525 6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.323 -10.201 7.192 1.00 0.00 H new ATOM 373 N ALA A 22 -1.867 -8.736 4.549 1.00 0.00 N ATOM 374 CA ALA A 22 -2.364 -7.815 3.542 1.00 0.00 C ATOM 375 C ALA A 22 -2.730 -8.596 2.278 1.00 0.00 C ATOM 376 O ALA A 22 -1.850 -9.010 1.524 1.00 0.00 O ATOM 377 CB ALA A 22 -1.314 -6.733 3.276 1.00 0.00 C ATOM 0 H ALA A 22 -0.867 -8.663 4.737 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.266 -7.314 3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.687 -6.042 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.112 -6.188 4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.395 -7.198 2.920 1.00 0.00 H new ATOM 383 N VAL A 23 -4.028 -8.773 2.085 1.00 0.00 N ATOM 384 CA VAL A 23 -4.521 -9.497 0.926 1.00 0.00 C ATOM 385 C VAL A 23 -5.001 -8.497 -0.128 1.00 0.00 C ATOM 386 O VAL A 23 -4.745 -8.673 -1.318 1.00 0.00 O ATOM 387 CB VAL A 23 -5.608 -10.487 1.350 1.00 0.00 C ATOM 388 CG1 VAL A 23 -4.992 -11.779 1.889 1.00 0.00 C ATOM 389 CG2 VAL A 23 -6.551 -9.858 2.378 1.00 0.00 C ATOM 0 H VAL A 23 -4.754 -8.427 2.712 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.722 -10.086 0.476 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.195 -10.739 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.786 -12.465 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.381 -12.242 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.369 -11.552 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.314 -10.582 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.983 -9.564 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.028 -8.979 1.944 1.00 0.00 H new ATOM 399 N ARG A 24 -5.689 -7.469 0.347 1.00 0.00 N ATOM 400 CA ARG A 24 -6.207 -6.441 -0.539 1.00 0.00 C ATOM 401 C ARG A 24 -5.125 -5.401 -0.835 1.00 0.00 C ATOM 402 O ARG A 24 -5.278 -4.228 -0.497 1.00 0.00 O ATOM 403 CB ARG A 24 -7.421 -5.744 0.077 1.00 0.00 C ATOM 404 CG ARG A 24 -8.701 -6.542 -0.179 1.00 0.00 C ATOM 405 CD ARG A 24 -9.002 -6.629 -1.677 1.00 0.00 C ATOM 406 NE ARG A 24 -10.414 -7.020 -1.887 1.00 0.00 N ATOM 407 CZ ARG A 24 -10.864 -8.280 -1.805 1.00 0.00 C ATOM 408 NH1 ARG A 24 -10.017 -9.277 -1.516 1.00 0.00 N ATOM 409 NH2 ARG A 24 -12.162 -8.542 -2.011 1.00 0.00 N ATOM 0 H ARG A 24 -5.900 -7.326 1.335 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.513 -6.925 -1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.271 -5.625 1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.522 -4.743 -0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.597 -7.545 0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.537 -6.070 0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.808 -5.667 -2.152 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.341 -7.356 -2.148 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.086 -6.285 -2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.029 -9.077 -1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.360 -10.236 -1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.807 -7.783 -2.230 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.505 -9.501 -1.949 1.00 0.00 H new ATOM 423 N VAL A 25 -4.056 -5.867 -1.462 1.00 0.00 N ATOM 424 CA VAL A 25 -2.949 -4.992 -1.807 1.00 0.00 C ATOM 425 C VAL A 25 -3.274 -4.254 -3.108 1.00 0.00 C ATOM 426 O VAL A 25 -3.349 -4.867 -4.171 1.00 0.00 O ATOM 427 CB VAL A 25 -1.650 -5.796 -1.885 1.00 0.00 C ATOM 428 CG1 VAL A 25 -0.448 -4.877 -2.115 1.00 0.00 C ATOM 429 CG2 VAL A 25 -1.456 -6.648 -0.629 1.00 0.00 C ATOM 0 H VAL A 25 -3.933 -6.840 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.803 -4.239 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.725 -6.470 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.462 -5.474 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.579 -4.334 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.370 -4.167 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.525 -7.209 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.414 -6.001 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.291 -7.342 -0.528 1.00 0.00 H new ATOM 439 N ARG A 26 -3.458 -2.948 -2.980 1.00 0.00 N ATOM 440 CA ARG A 26 -3.773 -2.121 -4.131 1.00 0.00 C ATOM 441 C ARG A 26 -3.260 -0.695 -3.917 1.00 0.00 C ATOM 442 O ARG A 26 -3.091 -0.257 -2.780 1.00 0.00 O ATOM 443 CB ARG A 26 -5.282 -2.080 -4.384 1.00 0.00 C ATOM 444 CG ARG A 26 -6.055 -1.960 -3.069 1.00 0.00 C ATOM 445 CD ARG A 26 -7.454 -2.565 -3.199 1.00 0.00 C ATOM 446 NE ARG A 26 -8.151 -1.984 -4.368 1.00 0.00 N ATOM 447 CZ ARG A 26 -9.431 -2.229 -4.678 1.00 0.00 C ATOM 448 NH1 ARG A 26 -10.162 -3.047 -3.908 1.00 0.00 N ATOM 449 NH2 ARG A 26 -9.980 -1.658 -5.758 1.00 0.00 N ATOM 0 H ARG A 26 -3.395 -2.443 -2.096 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.282 -2.561 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.523 -1.236 -5.030 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.591 -2.983 -4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.508 -2.467 -2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.134 -0.911 -2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.382 -3.647 -3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.027 -2.374 -2.292 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.624 -1.358 -4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.744 -3.483 -3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.137 -3.234 -4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.423 -1.036 -6.345 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.955 -1.845 -5.994 1.00 0.00 H new ATOM 463 N VAL A 27 -3.026 -0.011 -5.028 1.00 0.00 N ATOM 464 CA VAL A 27 -2.535 1.355 -4.976 1.00 0.00 C ATOM 465 C VAL A 27 -3.675 2.315 -5.323 1.00 0.00 C ATOM 466 O VAL A 27 -4.272 2.214 -6.394 1.00 0.00 O ATOM 467 CB VAL A 27 -1.322 1.511 -5.894 1.00 0.00 C ATOM 468 CG1 VAL A 27 -0.371 2.589 -5.369 1.00 0.00 C ATOM 469 CG2 VAL A 27 -0.594 0.177 -6.071 1.00 0.00 C ATOM 0 H VAL A 27 -3.168 -0.378 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.197 1.601 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.681 1.830 -6.872 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.483 2.679 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.895 3.543 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.022 2.313 -4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.265 0.315 -6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.254 -0.183 -5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.274 -0.553 -6.511 1.00 0.00 H new ATOM 479 N PHE A 28 -3.943 3.225 -4.398 1.00 0.00 N ATOM 480 CA PHE A 28 -5.000 4.202 -4.593 1.00 0.00 C ATOM 481 C PHE A 28 -4.452 5.628 -4.507 1.00 0.00 C ATOM 482 O PHE A 28 -3.597 5.919 -3.671 1.00 0.00 O ATOM 483 CB PHE A 28 -6.017 3.991 -3.470 1.00 0.00 C ATOM 484 CG PHE A 28 -5.603 4.607 -2.132 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.879 5.913 -1.870 1.00 0.00 C ATOM 486 CD2 PHE A 28 -4.960 3.849 -1.204 1.00 0.00 C ATOM 487 CE1 PHE A 28 -5.495 6.485 -0.628 1.00 0.00 C ATOM 488 CE2 PHE A 28 -4.576 4.421 0.038 1.00 0.00 C ATOM 489 CZ PHE A 28 -4.852 5.727 0.299 1.00 0.00 C ATOM 0 H PHE A 28 -3.446 3.306 -3.511 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.449 4.073 -5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.973 4.417 -3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.175 2.921 -3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.390 6.515 -2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.741 2.812 -1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.714 7.522 -0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.065 3.819 0.775 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.560 6.162 1.243 1.00 0.00 H new ATOM 499 N GLY A 29 -4.966 6.480 -5.382 1.00 0.00 N ATOM 500 CA GLY A 29 -4.538 7.868 -5.416 1.00 0.00 C ATOM 501 C GLY A 29 -3.706 8.155 -6.667 1.00 0.00 C ATOM 502 O GLY A 29 -3.886 7.510 -7.699 1.00 0.00 O ATOM 0 H GLY A 29 -5.675 6.236 -6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.410 8.522 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.951 8.093 -4.525 1.00 0.00 H new ATOM 506 N SER A 30 -2.812 9.124 -6.535 1.00 0.00 N ATOM 507 CA SER A 30 -1.952 9.505 -7.642 1.00 0.00 C ATOM 508 C SER A 30 -0.893 8.426 -7.877 1.00 0.00 C ATOM 509 O SER A 30 -0.456 8.216 -9.007 1.00 0.00 O ATOM 510 CB SER A 30 -1.283 10.856 -7.380 1.00 0.00 C ATOM 511 OG SER A 30 -1.346 11.712 -8.518 1.00 0.00 O ATOM 0 H SER A 30 -2.665 9.657 -5.678 1.00 0.00 H new ATOM 0 HA SER A 30 -2.568 9.602 -8.536 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.767 11.342 -6.533 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.241 10.697 -7.103 1.00 0.00 H new ATOM 0 HG SER A 30 -1.533 12.629 -8.228 1.00 0.00 H new ATOM 517 N VAL A 31 -0.512 7.769 -6.791 1.00 0.00 N ATOM 518 CA VAL A 31 0.487 6.716 -6.865 1.00 0.00 C ATOM 519 C VAL A 31 0.000 5.624 -7.819 1.00 0.00 C ATOM 520 O VAL A 31 0.759 5.149 -8.664 1.00 0.00 O ATOM 521 CB VAL A 31 0.797 6.190 -5.462 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.478 7.264 -4.612 1.00 0.00 C ATOM 523 CG2 VAL A 31 -0.469 5.671 -4.779 1.00 0.00 C ATOM 0 H VAL A 31 -0.877 7.946 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 31 1.423 7.104 -7.266 1.00 0.00 H new ATOM 0 HB VAL A 31 1.489 5.354 -5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.687 6.864 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.412 7.565 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.821 8.129 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.221 5.303 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.195 6.480 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.895 4.860 -5.370 1.00 0.00 H new ATOM 533 N ALA A 32 -1.262 5.256 -7.653 1.00 0.00 N ATOM 534 CA ALA A 32 -1.858 4.228 -8.489 1.00 0.00 C ATOM 535 C ALA A 32 -1.703 4.620 -9.960 1.00 0.00 C ATOM 536 O ALA A 32 -1.541 3.758 -10.822 1.00 0.00 O ATOM 537 CB ALA A 32 -3.322 4.031 -8.090 1.00 0.00 C ATOM 0 H ALA A 32 -1.888 5.652 -6.952 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.350 3.275 -8.346 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.769 3.260 -8.717 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.376 3.726 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.865 4.967 -8.223 1.00 0.00 H new ATOM 543 N ARG A 33 -1.759 5.922 -10.202 1.00 0.00 N ATOM 544 CA ARG A 33 -1.627 6.438 -11.554 1.00 0.00 C ATOM 545 C ARG A 33 -0.150 6.551 -11.937 1.00 0.00 C ATOM 546 O ARG A 33 0.183 6.659 -13.116 1.00 0.00 O ATOM 547 CB ARG A 33 -2.288 7.812 -11.686 1.00 0.00 C ATOM 548 CG ARG A 33 -3.668 7.696 -12.335 1.00 0.00 C ATOM 549 CD ARG A 33 -3.987 8.938 -13.170 1.00 0.00 C ATOM 550 NE ARG A 33 -4.591 8.539 -14.461 1.00 0.00 N ATOM 551 CZ ARG A 33 -4.862 9.391 -15.459 1.00 0.00 C ATOM 552 NH1 ARG A 33 -4.583 10.695 -15.321 1.00 0.00 N ATOM 553 NH2 ARG A 33 -5.411 8.940 -16.595 1.00 0.00 N ATOM 0 H ARG A 33 -1.894 6.635 -9.485 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.128 5.741 -12.226 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.383 8.270 -10.701 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.655 8.468 -12.284 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.703 6.809 -12.968 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.427 7.567 -11.563 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.672 9.587 -12.624 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.077 9.511 -13.347 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.815 7.554 -14.600 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.165 11.038 -14.456 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.789 11.344 -16.081 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.623 7.948 -16.700 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.617 9.589 -17.354 1.00 0.00 H new ATOM 567 N GLY A 34 0.696 6.522 -10.918 1.00 0.00 N ATOM 568 CA GLY A 34 2.130 6.620 -11.133 1.00 0.00 C ATOM 569 C GLY A 34 2.634 8.034 -10.834 1.00 0.00 C ATOM 570 O GLY A 34 3.611 8.487 -11.429 1.00 0.00 O ATOM 0 H GLY A 34 0.416 6.432 -9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.647 5.903 -10.495 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.366 6.357 -12.164 1.00 0.00 H new ATOM 574 N GLU A 35 1.945 8.691 -9.912 1.00 0.00 N ATOM 575 CA GLU A 35 2.310 10.043 -9.527 1.00 0.00 C ATOM 576 C GLU A 35 2.557 10.118 -8.019 1.00 0.00 C ATOM 577 O GLU A 35 1.714 9.699 -7.227 1.00 0.00 O ATOM 578 CB GLU A 35 1.237 11.045 -9.957 1.00 0.00 C ATOM 579 CG GLU A 35 1.227 12.267 -9.037 1.00 0.00 C ATOM 580 CD GLU A 35 2.564 13.008 -9.095 1.00 0.00 C ATOM 581 OE1 GLU A 35 3.017 13.274 -10.229 1.00 0.00 O ATOM 582 OE2 GLU A 35 3.104 13.290 -8.003 1.00 0.00 O ATOM 0 H GLU A 35 1.136 8.311 -9.421 1.00 0.00 H new ATOM 0 HA GLU A 35 3.234 10.308 -10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.420 11.360 -10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.259 10.565 -9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.421 12.940 -9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.025 11.954 -8.013 1.00 0.00 H new ATOM 589 N ALA A 36 3.717 10.653 -7.667 1.00 0.00 N ATOM 590 CA ALA A 36 4.085 10.788 -6.268 1.00 0.00 C ATOM 591 C ALA A 36 5.415 11.537 -6.165 1.00 0.00 C ATOM 592 O ALA A 36 6.476 10.918 -6.105 1.00 0.00 O ATOM 593 CB ALA A 36 4.143 9.403 -5.620 1.00 0.00 C ATOM 0 H ALA A 36 4.414 10.998 -8.327 1.00 0.00 H new ATOM 0 HA ALA A 36 3.337 11.369 -5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.419 9.504 -4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.166 8.925 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.885 8.792 -6.133 1.00 0.00 H new ATOM 599 N ARG A 37 5.314 12.858 -6.147 1.00 0.00 N ATOM 600 CA ARG A 37 6.496 13.697 -6.053 1.00 0.00 C ATOM 601 C ARG A 37 7.294 13.350 -4.794 1.00 0.00 C ATOM 602 O ARG A 37 6.811 12.621 -3.930 1.00 0.00 O ATOM 603 CB ARG A 37 6.118 15.179 -6.015 1.00 0.00 C ATOM 604 CG ARG A 37 5.279 15.500 -4.777 1.00 0.00 C ATOM 605 CD ARG A 37 3.815 15.737 -5.152 1.00 0.00 C ATOM 606 NE ARG A 37 3.352 17.029 -4.596 1.00 0.00 N ATOM 607 CZ ARG A 37 3.599 18.220 -5.158 1.00 0.00 C ATOM 608 NH1 ARG A 37 4.305 18.291 -6.295 1.00 0.00 N ATOM 609 NH2 ARG A 37 3.140 19.340 -4.584 1.00 0.00 N ATOM 0 H ARG A 37 4.432 13.368 -6.196 1.00 0.00 H new ATOM 0 HA ARG A 37 7.105 13.511 -6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.022 15.788 -6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.559 15.439 -6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.347 14.678 -4.064 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.679 16.385 -4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.704 15.738 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.197 14.925 -4.769 1.00 0.00 H new ATOM 0 HE ARG A 37 2.811 17.011 -3.731 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.654 17.438 -6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.493 19.198 -6.723 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.602 19.286 -3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.328 20.247 -5.012 1.00 0.00 H new ATOM 623 N GLU A 38 8.503 13.889 -4.731 1.00 0.00 N ATOM 624 CA GLU A 38 9.373 13.645 -3.593 1.00 0.00 C ATOM 625 C GLU A 38 8.801 14.306 -2.337 1.00 0.00 C ATOM 626 O GLU A 38 9.297 14.083 -1.234 1.00 0.00 O ATOM 627 CB GLU A 38 10.794 14.137 -3.874 1.00 0.00 C ATOM 628 CG GLU A 38 10.775 15.496 -4.578 1.00 0.00 C ATOM 629 CD GLU A 38 11.963 16.356 -4.143 1.00 0.00 C ATOM 630 OE1 GLU A 38 13.098 15.841 -4.231 1.00 0.00 O ATOM 631 OE2 GLU A 38 11.709 17.509 -3.733 1.00 0.00 O ATOM 0 H GLU A 38 8.900 14.494 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 38 9.424 12.570 -3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.347 14.216 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.319 13.410 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.803 15.350 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.844 16.014 -4.350 1.00 0.00 H new ATOM 638 N ASP A 39 7.767 15.107 -2.547 1.00 0.00 N ATOM 639 CA ASP A 39 7.123 15.802 -1.446 1.00 0.00 C ATOM 640 C ASP A 39 5.844 15.058 -1.057 1.00 0.00 C ATOM 641 O ASP A 39 5.155 15.449 -0.116 1.00 0.00 O ATOM 642 CB ASP A 39 6.737 17.228 -1.845 1.00 0.00 C ATOM 643 CG ASP A 39 7.335 18.329 -0.967 1.00 0.00 C ATOM 644 OD1 ASP A 39 7.586 18.034 0.222 1.00 0.00 O ATOM 645 OD2 ASP A 39 7.528 19.441 -1.504 1.00 0.00 O ATOM 0 H ASP A 39 7.359 15.290 -3.464 1.00 0.00 H new ATOM 0 HA ASP A 39 7.825 15.838 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.047 17.397 -2.876 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.651 17.315 -1.821 1.00 0.00 H new ATOM 650 N SER A 40 5.565 13.997 -1.801 1.00 0.00 N ATOM 651 CA SER A 40 4.381 13.194 -1.545 1.00 0.00 C ATOM 652 C SER A 40 4.784 11.839 -0.962 1.00 0.00 C ATOM 653 O SER A 40 5.971 11.533 -0.855 1.00 0.00 O ATOM 654 CB SER A 40 3.562 13.000 -2.822 1.00 0.00 C ATOM 655 OG SER A 40 2.503 13.948 -2.927 1.00 0.00 O ATOM 0 H SER A 40 6.138 13.675 -2.581 1.00 0.00 H new ATOM 0 HA SER A 40 3.759 13.722 -0.823 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.216 13.090 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.149 11.992 -2.838 1.00 0.00 H new ATOM 0 HG SER A 40 1.828 13.616 -3.555 1.00 0.00 H new ATOM 661 N ASP A 41 3.774 11.062 -0.599 1.00 0.00 N ATOM 662 CA ASP A 41 4.008 9.747 -0.029 1.00 0.00 C ATOM 663 C ASP A 41 3.319 8.690 -0.895 1.00 0.00 C ATOM 664 O ASP A 41 2.660 9.023 -1.879 1.00 0.00 O ATOM 665 CB ASP A 41 3.431 9.648 1.385 1.00 0.00 C ATOM 666 CG ASP A 41 3.588 10.910 2.236 1.00 0.00 C ATOM 667 OD1 ASP A 41 3.106 11.968 1.778 1.00 0.00 O ATOM 668 OD2 ASP A 41 4.186 10.787 3.327 1.00 0.00 O ATOM 0 H ASP A 41 2.791 11.319 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 41 5.085 9.583 0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.371 9.406 1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.913 8.818 1.901 1.00 0.00 H new ATOM 673 N LEU A 42 3.494 7.439 -0.498 1.00 0.00 N ATOM 674 CA LEU A 42 2.898 6.332 -1.226 1.00 0.00 C ATOM 675 C LEU A 42 1.652 5.850 -0.480 1.00 0.00 C ATOM 676 O LEU A 42 1.745 5.374 0.650 1.00 0.00 O ATOM 677 CB LEU A 42 3.933 5.231 -1.469 1.00 0.00 C ATOM 678 CG LEU A 42 3.435 3.999 -2.228 1.00 0.00 C ATOM 679 CD1 LEU A 42 2.776 2.998 -1.276 1.00 0.00 C ATOM 680 CD2 LEU A 42 2.504 4.399 -3.373 1.00 0.00 C ATOM 0 H LEU A 42 4.040 7.167 0.319 1.00 0.00 H new ATOM 0 HA LEU A 42 2.574 6.657 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.769 5.661 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.322 4.906 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 42 4.296 3.501 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.431 2.132 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.500 2.678 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.927 3.471 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.165 3.505 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.643 4.933 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.040 5.045 -4.069 1.00 0.00 H new ATOM 692 N ASP A 43 0.513 5.990 -1.144 1.00 0.00 N ATOM 693 CA ASP A 43 -0.750 5.575 -0.559 1.00 0.00 C ATOM 694 C ASP A 43 -1.080 4.155 -1.023 1.00 0.00 C ATOM 695 O ASP A 43 -1.280 3.917 -2.213 1.00 0.00 O ATOM 696 CB ASP A 43 -1.890 6.494 -1.002 1.00 0.00 C ATOM 697 CG ASP A 43 -1.979 7.823 -0.249 1.00 0.00 C ATOM 698 OD1 ASP A 43 -1.114 8.685 -0.515 1.00 0.00 O ATOM 699 OD2 ASP A 43 -2.911 7.947 0.575 1.00 0.00 O ATOM 0 H ASP A 43 0.439 6.385 -2.081 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.651 5.620 0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.775 6.703 -2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.833 5.962 -0.882 1.00 0.00 H new ATOM 704 N LEU A 44 -1.127 3.247 -0.059 1.00 0.00 N ATOM 705 CA LEU A 44 -1.429 1.857 -0.354 1.00 0.00 C ATOM 706 C LEU A 44 -2.520 1.364 0.599 1.00 0.00 C ATOM 707 O LEU A 44 -2.380 1.467 1.816 1.00 0.00 O ATOM 708 CB LEU A 44 -0.154 1.012 -0.318 1.00 0.00 C ATOM 709 CG LEU A 44 0.151 0.205 -1.581 1.00 0.00 C ATOM 710 CD1 LEU A 44 0.499 1.128 -2.751 1.00 0.00 C ATOM 711 CD2 LEU A 44 1.250 -0.827 -1.320 1.00 0.00 C ATOM 0 H LEU A 44 -0.961 3.447 0.927 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.820 1.759 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.690 1.672 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.223 0.322 0.523 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.748 -0.345 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.712 0.529 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.342 1.790 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.376 1.723 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.448 -1.387 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.160 -0.317 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.927 -1.513 -0.537 1.00 0.00 H new ATOM 723 N LEU A 45 -3.583 0.838 0.008 1.00 0.00 N ATOM 724 CA LEU A 45 -4.698 0.328 0.789 1.00 0.00 C ATOM 725 C LEU A 45 -4.587 -1.194 0.895 1.00 0.00 C ATOM 726 O LEU A 45 -4.720 -1.901 -0.102 1.00 0.00 O ATOM 727 CB LEU A 45 -6.027 0.808 0.202 1.00 0.00 C ATOM 728 CG LEU A 45 -7.282 0.443 0.997 1.00 0.00 C ATOM 729 CD1 LEU A 45 -6.996 0.435 2.500 1.00 0.00 C ATOM 730 CD2 LEU A 45 -8.446 1.368 0.639 1.00 0.00 C ATOM 0 H LEU A 45 -3.696 0.754 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.663 0.722 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.987 1.893 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.126 0.399 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.579 -0.569 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.905 0.173 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.219 -0.297 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.660 1.424 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.326 1.087 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.175 2.399 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.668 1.279 -0.424 1.00 0.00 H new ATOM 742 N VAL A 46 -4.343 -1.654 2.114 1.00 0.00 N ATOM 743 CA VAL A 46 -4.212 -3.079 2.364 1.00 0.00 C ATOM 744 C VAL A 46 -5.216 -3.498 3.440 1.00 0.00 C ATOM 745 O VAL A 46 -5.676 -2.667 4.222 1.00 0.00 O ATOM 746 CB VAL A 46 -2.766 -3.415 2.732 1.00 0.00 C ATOM 747 CG1 VAL A 46 -1.926 -3.670 1.478 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.148 -2.311 3.591 1.00 0.00 C ATOM 0 H VAL A 46 -4.233 -1.064 2.939 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.444 -3.648 1.464 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.775 -4.332 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.902 -3.907 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.348 -4.507 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.929 -2.779 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.120 -2.575 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.158 -1.371 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.725 -2.198 4.509 1.00 0.00 H new ATOM 758 N ALA A 47 -5.525 -4.786 3.446 1.00 0.00 N ATOM 759 CA ALA A 47 -6.466 -5.326 4.414 1.00 0.00 C ATOM 760 C ALA A 47 -5.837 -6.533 5.112 1.00 0.00 C ATOM 761 O ALA A 47 -5.466 -7.508 4.459 1.00 0.00 O ATOM 762 CB ALA A 47 -7.778 -5.677 3.709 1.00 0.00 C ATOM 0 H ALA A 47 -5.141 -5.472 2.796 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.696 -4.586 5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.484 -6.082 4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.199 -4.780 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.587 -6.420 2.934 1.00 0.00 H new ATOM 768 N PHE A 48 -5.736 -6.429 6.429 1.00 0.00 N ATOM 769 CA PHE A 48 -5.158 -7.500 7.222 1.00 0.00 C ATOM 770 C PHE A 48 -6.242 -8.458 7.722 1.00 0.00 C ATOM 771 O PHE A 48 -7.158 -8.048 8.433 1.00 0.00 O ATOM 772 CB PHE A 48 -4.476 -6.848 8.426 1.00 0.00 C ATOM 773 CG PHE A 48 -3.373 -5.855 8.054 1.00 0.00 C ATOM 774 CD1 PHE A 48 -2.268 -6.284 7.388 1.00 0.00 C ATOM 775 CD2 PHE A 48 -3.499 -4.542 8.388 1.00 0.00 C ATOM 776 CE1 PHE A 48 -1.244 -5.363 7.043 1.00 0.00 C ATOM 777 CE2 PHE A 48 -2.475 -3.621 8.042 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.370 -4.050 7.377 1.00 0.00 C ATOM 0 H PHE A 48 -6.045 -5.619 6.967 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.455 -8.073 6.617 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.229 -6.332 9.022 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.050 -7.629 9.056 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.169 -7.326 7.121 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.377 -4.201 8.916 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.365 -5.704 6.516 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.574 -2.579 8.307 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.592 -3.349 7.114 1.00 0.00 H new ATOM 788 N GLU A 49 -6.101 -9.716 7.331 1.00 0.00 N ATOM 789 CA GLU A 49 -7.056 -10.735 7.730 1.00 0.00 C ATOM 790 C GLU A 49 -6.746 -11.228 9.145 1.00 0.00 C ATOM 791 O GLU A 49 -5.950 -10.619 9.858 1.00 0.00 O ATOM 792 CB GLU A 49 -7.067 -11.897 6.735 1.00 0.00 C ATOM 793 CG GLU A 49 -5.747 -12.670 6.781 1.00 0.00 C ATOM 794 CD GLU A 49 -5.567 -13.522 5.522 1.00 0.00 C ATOM 795 OE1 GLU A 49 -6.529 -14.245 5.184 1.00 0.00 O ATOM 796 OE2 GLU A 49 -4.472 -13.430 4.927 1.00 0.00 O ATOM 0 H GLU A 49 -5.339 -10.053 6.742 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.052 -10.291 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.894 -12.569 6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.235 -11.516 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.915 -11.972 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.726 -13.310 7.663 1.00 0.00 H new ATOM 803 N GLU A 50 -7.391 -12.327 9.510 1.00 0.00 N ATOM 804 CA GLU A 50 -7.194 -12.908 10.826 1.00 0.00 C ATOM 805 C GLU A 50 -7.049 -11.806 11.877 1.00 0.00 C ATOM 806 O GLU A 50 -7.589 -10.713 11.714 1.00 0.00 O ATOM 807 CB GLU A 50 -5.980 -13.840 10.838 1.00 0.00 C ATOM 808 CG GLU A 50 -6.281 -15.122 11.617 1.00 0.00 C ATOM 809 CD GLU A 50 -5.219 -16.190 11.346 1.00 0.00 C ATOM 810 OE1 GLU A 50 -4.792 -16.280 10.175 1.00 0.00 O ATOM 811 OE2 GLU A 50 -4.860 -16.892 12.316 1.00 0.00 O ATOM 0 H GLU A 50 -8.051 -12.830 8.916 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.072 -13.505 11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.698 -14.089 9.815 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.129 -13.329 11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.318 -14.903 12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.263 -15.501 11.335 1.00 0.00 H new ATOM 818 N GLY A 51 -6.317 -12.131 12.933 1.00 0.00 N ATOM 819 CA GLY A 51 -6.095 -11.182 14.010 1.00 0.00 C ATOM 820 C GLY A 51 -4.639 -10.711 14.034 1.00 0.00 C ATOM 821 O GLY A 51 -3.861 -11.131 14.888 1.00 0.00 O ATOM 0 H GLY A 51 -5.870 -13.038 13.065 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.756 -10.325 13.886 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.347 -11.644 14.964 1.00 0.00 H new ATOM 825 N ARG A 52 -4.316 -9.844 13.085 1.00 0.00 N ATOM 826 CA ARG A 52 -2.968 -9.311 12.986 1.00 0.00 C ATOM 827 C ARG A 52 -2.768 -8.181 13.998 1.00 0.00 C ATOM 828 O ARG A 52 -3.712 -7.464 14.327 1.00 0.00 O ATOM 829 CB ARG A 52 -2.686 -8.782 11.579 1.00 0.00 C ATOM 830 CG ARG A 52 -2.717 -9.914 10.551 1.00 0.00 C ATOM 831 CD ARG A 52 -1.675 -10.984 10.881 1.00 0.00 C ATOM 832 NE ARG A 52 -2.338 -12.181 11.443 1.00 0.00 N ATOM 833 CZ ARG A 52 -1.690 -13.185 12.050 1.00 0.00 C ATOM 834 NH1 ARG A 52 -0.356 -13.141 12.176 1.00 0.00 N ATOM 835 NH2 ARG A 52 -2.374 -14.232 12.529 1.00 0.00 N ATOM 0 H ARG A 52 -4.965 -9.498 12.378 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.274 -10.124 13.202 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.426 -8.027 11.316 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.711 -8.294 11.559 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.710 -10.363 10.529 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.527 -9.511 9.556 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.121 -11.254 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.951 -10.590 11.595 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.353 -12.246 11.364 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.165 -12.344 11.810 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.138 -13.905 12.638 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.389 -14.266 12.432 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.880 -14.996 12.991 1.00 0.00 H new ATOM 849 N THR A 53 -1.534 -8.057 14.464 1.00 0.00 N ATOM 850 CA THR A 53 -1.198 -7.026 15.431 1.00 0.00 C ATOM 851 C THR A 53 -0.599 -5.808 14.726 1.00 0.00 C ATOM 852 O THR A 53 -0.214 -5.888 13.561 1.00 0.00 O ATOM 853 CB THR A 53 -0.267 -7.644 16.476 1.00 0.00 C ATOM 854 OG1 THR A 53 0.847 -8.107 15.717 1.00 0.00 O ATOM 855 CG2 THR A 53 -0.847 -8.914 17.100 1.00 0.00 C ATOM 0 H THR A 53 -0.754 -8.654 14.189 1.00 0.00 H new ATOM 0 HA THR A 53 -2.087 -6.659 15.944 1.00 0.00 H new ATOM 0 HB THR A 53 -0.067 -6.914 17.260 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.502 -8.521 16.317 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.146 -9.311 17.834 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.792 -8.680 17.590 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.017 -9.657 16.321 1.00 0.00 H new ATOM 863 N LEU A 54 -0.538 -4.708 15.463 1.00 0.00 N ATOM 864 CA LEU A 54 0.009 -3.475 14.923 1.00 0.00 C ATOM 865 C LEU A 54 1.501 -3.664 14.641 1.00 0.00 C ATOM 866 O LEU A 54 2.053 -3.025 13.746 1.00 0.00 O ATOM 867 CB LEU A 54 -0.297 -2.301 15.855 1.00 0.00 C ATOM 868 CG LEU A 54 -0.547 -0.953 15.175 1.00 0.00 C ATOM 869 CD1 LEU A 54 0.681 -0.503 14.381 1.00 0.00 C ATOM 870 CD2 LEU A 54 -1.806 -1.003 14.306 1.00 0.00 C ATOM 0 H LEU A 54 -0.858 -4.645 16.429 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.466 -3.231 13.973 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.175 -2.554 16.450 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.536 -2.187 16.549 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.720 -0.206 15.950 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.476 0.457 13.908 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.532 -0.402 15.054 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.910 -1.243 13.615 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.961 -0.033 13.834 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.687 -1.766 13.537 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.668 -1.246 14.928 1.00 0.00 H new ATOM 882 N LEU A 55 2.111 -4.545 15.420 1.00 0.00 N ATOM 883 CA LEU A 55 3.528 -4.826 15.264 1.00 0.00 C ATOM 884 C LEU A 55 3.798 -5.285 13.830 1.00 0.00 C ATOM 885 O LEU A 55 4.763 -4.847 13.205 1.00 0.00 O ATOM 886 CB LEU A 55 3.996 -5.822 16.327 1.00 0.00 C ATOM 887 CG LEU A 55 5.097 -5.329 17.269 1.00 0.00 C ATOM 888 CD1 LEU A 55 6.414 -5.132 16.517 1.00 0.00 C ATOM 889 CD2 LEU A 55 4.661 -4.061 18.005 1.00 0.00 C ATOM 0 H LEU A 55 1.650 -5.073 16.161 1.00 0.00 H new ATOM 0 HA LEU A 55 4.116 -3.922 15.425 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.135 -6.113 16.928 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.352 -6.721 15.823 1.00 0.00 H new ATOM 0 HG LEU A 55 5.270 -6.096 18.024 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.179 -4.781 17.209 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.728 -6.079 16.078 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.275 -4.395 15.726 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.461 -3.732 18.668 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.444 -3.276 17.280 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.767 -4.270 18.592 1.00 0.00 H new ATOM 901 N ASP A 56 2.929 -6.163 13.350 1.00 0.00 N ATOM 902 CA ASP A 56 3.062 -6.686 12.001 1.00 0.00 C ATOM 903 C ASP A 56 2.739 -5.580 10.995 1.00 0.00 C ATOM 904 O ASP A 56 3.368 -5.491 9.941 1.00 0.00 O ATOM 905 CB ASP A 56 2.089 -7.842 11.761 1.00 0.00 C ATOM 906 CG ASP A 56 2.448 -9.148 12.472 1.00 0.00 C ATOM 907 OD1 ASP A 56 3.488 -9.149 13.166 1.00 0.00 O ATOM 908 OD2 ASP A 56 1.675 -10.116 12.306 1.00 0.00 O ATOM 0 H ASP A 56 2.130 -6.525 13.871 1.00 0.00 H new ATOM 0 HA ASP A 56 4.084 -7.043 11.877 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.094 -7.533 12.082 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.033 -8.033 10.689 1.00 0.00 H new ATOM 913 N HIS A 57 1.760 -4.763 11.356 1.00 0.00 N ATOM 914 CA HIS A 57 1.346 -3.666 10.498 1.00 0.00 C ATOM 915 C HIS A 57 2.520 -2.707 10.290 1.00 0.00 C ATOM 916 O HIS A 57 2.843 -2.352 9.157 1.00 0.00 O ATOM 917 CB HIS A 57 0.106 -2.972 11.064 1.00 0.00 C ATOM 918 CG HIS A 57 -1.125 -3.846 11.098 1.00 0.00 C ATOM 919 ND1 HIS A 57 -2.409 -3.334 11.039 1.00 0.00 N ATOM 920 CD2 HIS A 57 -1.254 -5.201 11.186 1.00 0.00 C ATOM 921 CE1 HIS A 57 -3.265 -4.344 11.090 1.00 0.00 C ATOM 922 NE2 HIS A 57 -2.547 -5.500 11.182 1.00 0.00 N ATOM 0 H HIS A 57 1.242 -4.839 12.231 1.00 0.00 H new ATOM 0 HA HIS A 57 1.059 -4.052 9.520 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.324 -2.629 12.076 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.107 -2.086 10.466 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -2.655 -2.347 10.968 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.442 -5.910 11.248 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.342 -4.266 11.063 1.00 0.00 H new ATOM 930 N ALA A 58 3.125 -2.314 11.401 1.00 0.00 N ATOM 931 CA ALA A 58 4.256 -1.402 11.354 1.00 0.00 C ATOM 932 C ALA A 58 5.431 -2.089 10.655 1.00 0.00 C ATOM 933 O ALA A 58 6.185 -1.446 9.926 1.00 0.00 O ATOM 934 CB ALA A 58 4.606 -0.950 12.774 1.00 0.00 C ATOM 0 H ALA A 58 2.854 -2.610 12.339 1.00 0.00 H new ATOM 0 HA ALA A 58 4.006 -0.510 10.779 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.454 -0.266 12.740 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.748 -0.443 13.216 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.865 -1.819 13.379 1.00 0.00 H new ATOM 940 N ARG A 59 5.549 -3.385 10.902 1.00 0.00 N ATOM 941 CA ARG A 59 6.619 -4.166 10.305 1.00 0.00 C ATOM 942 C ARG A 59 6.473 -4.189 8.782 1.00 0.00 C ATOM 943 O ARG A 59 7.464 -4.094 8.058 1.00 0.00 O ATOM 944 CB ARG A 59 6.614 -5.602 10.832 1.00 0.00 C ATOM 945 CG ARG A 59 7.473 -5.726 12.092 1.00 0.00 C ATOM 946 CD ARG A 59 8.020 -7.147 12.245 1.00 0.00 C ATOM 947 NE ARG A 59 8.447 -7.377 13.643 1.00 0.00 N ATOM 948 CZ ARG A 59 9.110 -8.466 14.056 1.00 0.00 C ATOM 949 NH1 ARG A 59 9.426 -9.430 13.181 1.00 0.00 N ATOM 950 NH2 ARG A 59 9.457 -8.590 15.345 1.00 0.00 N ATOM 0 H ARG A 59 4.921 -3.914 11.507 1.00 0.00 H new ATOM 0 HA ARG A 59 7.564 -3.695 10.576 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.592 -5.909 11.053 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.990 -6.277 10.063 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.300 -5.017 12.044 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.880 -5.465 12.968 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.255 -7.872 11.966 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.862 -7.296 11.570 1.00 0.00 H new ATOM 0 HE ARG A 59 8.223 -6.662 14.335 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.162 -9.335 12.200 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.931 -10.259 13.495 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.216 -7.856 16.011 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.962 -9.419 15.660 1.00 0.00 H new ATOM 964 N LEU A 60 5.231 -4.315 8.340 1.00 0.00 N ATOM 965 CA LEU A 60 4.943 -4.352 6.916 1.00 0.00 C ATOM 966 C LEU A 60 5.448 -3.064 6.265 1.00 0.00 C ATOM 967 O LEU A 60 6.072 -3.103 5.205 1.00 0.00 O ATOM 968 CB LEU A 60 3.455 -4.619 6.677 1.00 0.00 C ATOM 969 CG LEU A 60 3.106 -5.357 5.384 1.00 0.00 C ATOM 970 CD1 LEU A 60 1.703 -4.983 4.901 1.00 0.00 C ATOM 971 CD2 LEU A 60 4.166 -5.111 4.308 1.00 0.00 C ATOM 0 H LEU A 60 4.412 -4.393 8.943 1.00 0.00 H new ATOM 0 HA LEU A 60 5.472 -5.179 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.070 -5.197 7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.930 -3.664 6.680 1.00 0.00 H new ATOM 0 HG LEU A 60 3.101 -6.427 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.480 -5.522 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.972 -5.251 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.656 -3.910 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.893 -5.647 3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.227 -4.044 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.134 -5.466 4.662 1.00 0.00 H new ATOM 983 N LYS A 61 5.161 -1.952 6.925 1.00 0.00 N ATOM 984 CA LYS A 61 5.579 -0.654 6.424 1.00 0.00 C ATOM 985 C LYS A 61 7.099 -0.644 6.250 1.00 0.00 C ATOM 986 O LYS A 61 7.604 -0.302 5.182 1.00 0.00 O ATOM 987 CB LYS A 61 5.056 0.464 7.328 1.00 0.00 C ATOM 988 CG LYS A 61 6.133 1.524 7.568 1.00 0.00 C ATOM 989 CD LYS A 61 6.434 2.301 6.285 1.00 0.00 C ATOM 990 CE LYS A 61 7.102 3.641 6.599 1.00 0.00 C ATOM 991 NZ LYS A 61 6.275 4.423 7.546 1.00 0.00 N ATOM 0 H LYS A 61 4.643 -1.923 7.803 1.00 0.00 H new ATOM 0 HA LYS A 61 5.144 -0.467 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.181 0.926 6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.734 0.045 8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.803 2.213 8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.044 1.047 7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.084 1.709 5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.509 2.472 5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.091 3.470 7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.245 4.207 5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.430 5.439 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.271 4.199 7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.542 4.182 8.522 1.00 0.00 H new ATOM 1005 N LEU A 62 7.787 -1.024 7.317 1.00 0.00 N ATOM 1006 CA LEU A 62 9.239 -1.063 7.297 1.00 0.00 C ATOM 1007 C LEU A 62 9.703 -2.042 6.217 1.00 0.00 C ATOM 1008 O LEU A 62 10.779 -1.876 5.644 1.00 0.00 O ATOM 1009 CB LEU A 62 9.787 -1.380 8.690 1.00 0.00 C ATOM 1010 CG LEU A 62 9.777 -0.224 9.693 1.00 0.00 C ATOM 1011 CD1 LEU A 62 8.405 -0.086 10.357 1.00 0.00 C ATOM 1012 CD2 LEU A 62 10.898 -0.382 10.722 1.00 0.00 C ATOM 0 H LEU A 62 7.365 -1.308 8.201 1.00 0.00 H new ATOM 0 HA LEU A 62 9.642 -0.084 7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.207 -2.203 9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.812 -1.734 8.584 1.00 0.00 H new ATOM 0 HG LEU A 62 9.966 0.702 9.150 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.425 0.742 11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.650 0.106 9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.162 -1.008 10.885 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.869 0.452 11.423 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.764 -1.317 11.265 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.861 -0.394 10.212 1.00 0.00 H new ATOM 1024 N ALA A 63 8.868 -3.041 5.970 1.00 0.00 N ATOM 1025 CA ALA A 63 9.179 -4.047 4.969 1.00 0.00 C ATOM 1026 C ALA A 63 9.068 -3.425 3.576 1.00 0.00 C ATOM 1027 O ALA A 63 9.904 -3.678 2.710 1.00 0.00 O ATOM 1028 CB ALA A 63 8.250 -5.249 5.147 1.00 0.00 C ATOM 0 H ALA A 63 7.976 -3.175 6.446 1.00 0.00 H new ATOM 0 HA ALA A 63 10.201 -4.405 5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.483 -6.004 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.389 -5.672 6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.215 -4.929 5.030 1.00 0.00 H new ATOM 1034 N LEU A 64 8.028 -2.623 3.402 1.00 0.00 N ATOM 1035 CA LEU A 64 7.796 -1.963 2.129 1.00 0.00 C ATOM 1036 C LEU A 64 8.883 -0.912 1.898 1.00 0.00 C ATOM 1037 O LEU A 64 9.404 -0.784 0.791 1.00 0.00 O ATOM 1038 CB LEU A 64 6.374 -1.400 2.068 1.00 0.00 C ATOM 1039 CG LEU A 64 5.244 -2.409 2.281 1.00 0.00 C ATOM 1040 CD1 LEU A 64 4.016 -2.041 1.445 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.722 -3.835 2.000 1.00 0.00 C ATOM 0 H LEU A 64 7.336 -2.415 4.122 1.00 0.00 H new ATOM 0 HA LEU A 64 7.866 -2.680 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.282 -0.617 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.233 -0.926 1.096 1.00 0.00 H new ATOM 0 HG LEU A 64 4.944 -2.370 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.227 -2.774 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.661 -1.052 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.284 -2.034 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.900 -4.532 2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.065 -3.907 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.543 -4.083 2.673 1.00 0.00 H new ATOM 1053 N GLU A 65 9.195 -0.186 2.962 1.00 0.00 N ATOM 1054 CA GLU A 65 10.212 0.850 2.890 1.00 0.00 C ATOM 1055 C GLU A 65 11.549 0.251 2.449 1.00 0.00 C ATOM 1056 O GLU A 65 12.306 0.887 1.718 1.00 0.00 O ATOM 1057 CB GLU A 65 10.351 1.576 4.230 1.00 0.00 C ATOM 1058 CG GLU A 65 9.498 2.845 4.257 1.00 0.00 C ATOM 1059 CD GLU A 65 10.335 4.060 4.665 1.00 0.00 C ATOM 1060 OE1 GLU A 65 11.490 4.138 4.193 1.00 0.00 O ATOM 1061 OE2 GLU A 65 9.801 4.882 5.440 1.00 0.00 O ATOM 0 H GLU A 65 8.761 -0.295 3.879 1.00 0.00 H new ATOM 0 HA GLU A 65 9.903 1.585 2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.048 0.913 5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.396 1.832 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.060 3.014 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.671 2.717 4.956 1.00 0.00 H new ATOM 1068 N GLY A 66 11.798 -0.965 2.912 1.00 0.00 N ATOM 1069 CA GLY A 66 13.031 -1.656 2.575 1.00 0.00 C ATOM 1070 C GLY A 66 13.010 -2.137 1.123 1.00 0.00 C ATOM 1071 O GLY A 66 13.955 -1.900 0.372 1.00 0.00 O ATOM 0 H GLY A 66 11.167 -1.490 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.880 -0.989 2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.169 -2.507 3.242 1.00 0.00 H new ATOM 1075 N LEU A 67 11.921 -2.805 0.770 1.00 0.00 N ATOM 1076 CA LEU A 67 11.764 -3.321 -0.580 1.00 0.00 C ATOM 1077 C LEU A 67 11.682 -2.151 -1.562 1.00 0.00 C ATOM 1078 O LEU A 67 12.327 -2.169 -2.609 1.00 0.00 O ATOM 1079 CB LEU A 67 10.568 -4.272 -0.654 1.00 0.00 C ATOM 1080 CG LEU A 67 10.889 -5.729 -0.994 1.00 0.00 C ATOM 1081 CD1 LEU A 67 10.833 -6.609 0.255 1.00 0.00 C ATOM 1082 CD2 LEU A 67 9.971 -6.247 -2.103 1.00 0.00 C ATOM 0 H LEU A 67 11.139 -3.001 1.395 1.00 0.00 H new ATOM 0 HA LEU A 67 12.632 -3.916 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.051 -4.249 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.871 -3.890 -1.401 1.00 0.00 H new ATOM 0 HG LEU A 67 11.910 -5.775 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.065 -7.639 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.560 -6.252 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.834 -6.564 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.220 -7.285 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.933 -6.185 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.105 -5.641 -2.999 1.00 0.00 H new ATOM 1094 N LEU A 68 10.883 -1.162 -1.190 1.00 0.00 N ATOM 1095 CA LEU A 68 10.708 0.013 -2.026 1.00 0.00 C ATOM 1096 C LEU A 68 11.875 0.976 -1.796 1.00 0.00 C ATOM 1097 O LEU A 68 12.075 1.910 -2.570 1.00 0.00 O ATOM 1098 CB LEU A 68 9.335 0.643 -1.784 1.00 0.00 C ATOM 1099 CG LEU A 68 8.135 -0.135 -2.328 1.00 0.00 C ATOM 1100 CD1 LEU A 68 8.131 -1.573 -1.807 1.00 0.00 C ATOM 1101 CD2 LEU A 68 6.824 0.591 -2.017 1.00 0.00 C ATOM 0 H LEU A 68 10.350 -1.150 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 68 10.725 -0.264 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.201 0.774 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.330 1.638 -2.229 1.00 0.00 H new ATOM 0 HG LEU A 68 8.225 -0.186 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.268 -2.103 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.045 -2.077 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.077 -1.565 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.987 0.017 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.713 0.695 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.837 1.579 -2.477 1.00 0.00 H new ATOM 1113 N GLY A 69 12.614 0.713 -0.728 1.00 0.00 N ATOM 1114 CA GLY A 69 13.756 1.545 -0.387 1.00 0.00 C ATOM 1115 C GLY A 69 13.381 3.028 -0.407 1.00 0.00 C ATOM 1116 O GLY A 69 14.249 3.890 -0.527 1.00 0.00 O ATOM 0 H GLY A 69 12.445 -0.063 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.126 1.273 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.567 1.362 -1.092 1.00 0.00 H new ATOM 1120 N VAL A 70 12.085 3.279 -0.287 1.00 0.00 N ATOM 1121 CA VAL A 70 11.584 4.642 -0.290 1.00 0.00 C ATOM 1122 C VAL A 70 10.349 4.729 0.609 1.00 0.00 C ATOM 1123 O VAL A 70 9.600 3.762 0.737 1.00 0.00 O ATOM 1124 CB VAL A 70 11.310 5.096 -1.726 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.559 4.941 -2.597 1.00 0.00 C ATOM 1126 CG2 VAL A 70 10.125 4.337 -2.325 1.00 0.00 C ATOM 0 H VAL A 70 11.367 2.561 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 70 12.331 5.324 0.116 1.00 0.00 H new ATOM 0 HB VAL A 70 11.049 6.154 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.338 5.270 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.366 5.548 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.864 3.895 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.952 4.679 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.343 3.269 -2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.234 4.521 -1.725 1.00 0.00 H new ATOM 1136 N ARG A 71 10.175 5.897 1.210 1.00 0.00 N ATOM 1137 CA ARG A 71 9.044 6.123 2.094 1.00 0.00 C ATOM 1138 C ARG A 71 7.802 5.406 1.561 1.00 0.00 C ATOM 1139 O ARG A 71 7.491 5.495 0.374 1.00 0.00 O ATOM 1140 CB ARG A 71 8.743 7.617 2.232 1.00 0.00 C ATOM 1141 CG ARG A 71 7.561 7.853 3.174 1.00 0.00 C ATOM 1142 CD ARG A 71 7.932 7.505 4.617 1.00 0.00 C ATOM 1143 NE ARG A 71 8.613 8.653 5.256 1.00 0.00 N ATOM 1144 CZ ARG A 71 9.939 8.848 5.231 1.00 0.00 C ATOM 1145 NH1 ARG A 71 10.733 7.973 4.600 1.00 0.00 N ATOM 1146 NH2 ARG A 71 10.469 9.919 5.838 1.00 0.00 N ATOM 0 H ARG A 71 10.798 6.697 1.102 1.00 0.00 H new ATOM 0 HA ARG A 71 9.304 5.725 3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.624 8.136 2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.521 8.039 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.248 8.896 3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.712 7.247 2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.035 7.245 5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.583 6.631 4.633 1.00 0.00 H new ATOM 0 HE ARG A 71 8.038 9.338 5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.329 7.158 4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.742 8.122 4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.864 10.585 6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.478 10.068 5.820 1.00 0.00 H new ATOM 1160 N VAL A 72 7.126 4.712 2.464 1.00 0.00 N ATOM 1161 CA VAL A 72 5.925 3.980 2.099 1.00 0.00 C ATOM 1162 C VAL A 72 4.827 4.266 3.126 1.00 0.00 C ATOM 1163 O VAL A 72 5.092 4.317 4.326 1.00 0.00 O ATOM 1164 CB VAL A 72 6.241 2.490 1.962 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.959 1.669 1.807 1.00 0.00 C ATOM 1166 CG2 VAL A 72 7.198 2.237 0.795 1.00 0.00 C ATOM 0 H VAL A 72 7.387 4.641 3.448 1.00 0.00 H new ATOM 0 HA VAL A 72 5.557 4.311 1.128 1.00 0.00 H new ATOM 0 HB VAL A 72 6.737 2.168 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.212 0.613 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.327 1.813 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.423 1.996 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.406 1.170 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.741 2.584 -0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.129 2.777 0.965 1.00 0.00 H new ATOM 1176 N ASP A 73 3.617 4.446 2.616 1.00 0.00 N ATOM 1177 CA ASP A 73 2.478 4.725 3.474 1.00 0.00 C ATOM 1178 C ASP A 73 1.411 3.649 3.265 1.00 0.00 C ATOM 1179 O ASP A 73 0.795 3.580 2.203 1.00 0.00 O ATOM 1180 CB ASP A 73 1.855 6.081 3.137 1.00 0.00 C ATOM 1181 CG ASP A 73 1.618 7.001 4.337 1.00 0.00 C ATOM 1182 OD1 ASP A 73 1.883 6.538 5.468 1.00 0.00 O ATOM 1183 OD2 ASP A 73 1.178 8.145 4.097 1.00 0.00 O ATOM 0 H ASP A 73 3.401 4.404 1.620 1.00 0.00 H new ATOM 0 HA ASP A 73 2.828 4.735 4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.503 6.595 2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.903 5.911 2.635 1.00 0.00 H new ATOM 1188 N ILE A 74 1.226 2.837 4.295 1.00 0.00 N ATOM 1189 CA ILE A 74 0.244 1.767 4.237 1.00 0.00 C ATOM 1190 C ILE A 74 -1.002 2.182 5.022 1.00 0.00 C ATOM 1191 O ILE A 74 -0.898 2.831 6.062 1.00 0.00 O ATOM 1192 CB ILE A 74 0.859 0.449 4.711 1.00 0.00 C ATOM 1193 CG1 ILE A 74 2.127 0.120 3.920 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.165 -0.687 4.651 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.565 -1.326 4.163 1.00 0.00 C ATOM 0 H ILE A 74 1.739 2.898 5.174 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.070 1.593 3.208 1.00 0.00 H new ATOM 0 HB ILE A 74 1.151 0.564 5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.947 0.275 2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.928 0.800 4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.298 -1.613 4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.013 -0.447 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.510 -0.812 3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.468 -1.534 3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.768 -1.471 5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.772 -2.004 3.849 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.153 1.790 4.495 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.417 2.112 5.133 1.00 0.00 C ATOM 1209 C VAL A 75 -4.275 0.849 5.224 1.00 0.00 C ATOM 1210 O VAL A 75 -4.227 -0.003 4.338 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.108 3.251 4.380 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.569 3.389 4.815 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.354 4.569 4.567 1.00 0.00 C ATOM 0 H VAL A 75 -2.236 1.252 3.633 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.251 2.466 6.151 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.096 3.006 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.037 4.205 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.100 2.460 4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.612 3.600 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.866 5.362 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.320 4.821 5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.338 4.464 4.186 1.00 0.00 H new ATOM 1223 N SER A 76 -5.040 0.767 6.302 1.00 0.00 N ATOM 1224 CA SER A 76 -5.907 -0.378 6.520 1.00 0.00 C ATOM 1225 C SER A 76 -7.367 0.019 6.287 1.00 0.00 C ATOM 1226 O SER A 76 -7.873 0.939 6.927 1.00 0.00 O ATOM 1227 CB SER A 76 -5.730 -0.943 7.931 1.00 0.00 C ATOM 1228 OG SER A 76 -5.793 0.075 8.926 1.00 0.00 O ATOM 0 H SER A 76 -5.078 1.476 7.035 1.00 0.00 H new ATOM 0 HA SER A 76 -5.630 -1.156 5.809 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.504 -1.686 8.123 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.771 -1.457 7.998 1.00 0.00 H new ATOM 0 HG SER A 76 -6.448 0.753 8.659 1.00 0.00 H new ATOM 1234 N GLU A 77 -8.001 -0.695 5.369 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.392 -0.430 5.043 1.00 0.00 C ATOM 1236 C GLU A 77 -10.197 -0.177 6.320 1.00 0.00 C ATOM 1237 O GLU A 77 -11.018 0.737 6.370 1.00 0.00 O ATOM 1238 CB GLU A 77 -9.995 -1.579 4.233 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.407 -1.621 2.821 1.00 0.00 C ATOM 1240 CD GLU A 77 -9.950 -2.818 2.037 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -11.177 -3.039 2.117 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -9.125 -3.484 1.376 1.00 0.00 O ATOM 0 H GLU A 77 -7.577 -1.457 4.840 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.435 0.467 4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.804 -2.525 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.077 -1.461 4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.648 -0.697 2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.320 -1.681 2.877 1.00 0.00 H new ATOM 1249 N ARG A 78 -9.933 -1.004 7.321 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.623 -0.883 8.594 1.00 0.00 C ATOM 1251 C ARG A 78 -10.458 0.532 9.154 1.00 0.00 C ATOM 1252 O ARG A 78 -11.437 1.167 9.542 1.00 0.00 O ATOM 1253 CB ARG A 78 -10.085 -1.892 9.610 1.00 0.00 C ATOM 1254 CG ARG A 78 -11.227 -2.533 10.402 1.00 0.00 C ATOM 1255 CD ARG A 78 -10.684 -3.420 11.525 1.00 0.00 C ATOM 1256 NE ARG A 78 -11.625 -4.531 11.791 1.00 0.00 N ATOM 1257 CZ ARG A 78 -12.715 -4.424 12.562 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -13.010 -3.255 13.147 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -13.512 -5.485 12.748 1.00 0.00 N ATOM 0 H ARG A 78 -9.251 -1.761 7.276 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.679 -1.088 8.420 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.516 -2.666 9.094 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.398 -1.394 10.294 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.864 -1.755 10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.850 -3.127 9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.708 -3.818 11.246 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.541 -2.829 12.430 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.431 -5.435 11.360 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.404 -2.447 13.005 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.840 -3.174 13.734 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.289 -6.375 12.302 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.342 -5.403 13.335 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.212 0.983 9.177 1.00 0.00 N ATOM 1274 CA GLY A 79 -8.907 2.311 9.682 1.00 0.00 C ATOM 1275 C GLY A 79 -9.452 3.392 8.748 1.00 0.00 C ATOM 1276 O GLY A 79 -9.765 4.498 9.188 1.00 0.00 O ATOM 0 H GLY A 79 -8.403 0.453 8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.337 2.434 10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.828 2.425 9.786 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.549 3.036 7.475 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.051 3.963 6.475 1.00 0.00 C ATOM 1282 C LEU A 80 -11.476 4.380 6.842 1.00 0.00 C ATOM 1283 O LEU A 80 -12.004 3.960 7.870 1.00 0.00 O ATOM 1284 CB LEU A 80 -9.929 3.358 5.075 1.00 0.00 C ATOM 1285 CG LEU A 80 -8.860 3.973 4.169 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -8.805 3.254 2.820 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.080 5.478 4.007 1.00 0.00 C ATOM 0 H LEU A 80 -9.288 2.118 7.113 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.447 4.870 6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.721 2.293 5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.894 3.447 4.577 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.889 3.838 4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.037 3.711 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.566 2.202 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.772 3.336 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.307 5.891 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.059 5.657 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.030 5.960 4.983 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.058 5.203 5.982 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.412 5.682 6.203 1.00 0.00 C ATOM 1301 C ALA A 81 -14.366 4.959 5.250 1.00 0.00 C ATOM 1302 O ALA A 81 -13.929 4.332 4.286 1.00 0.00 O ATOM 1303 CB ALA A 81 -13.451 7.201 6.026 1.00 0.00 C ATOM 0 H ALA A 81 -11.616 5.550 5.131 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.735 5.464 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.467 7.561 6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.779 7.669 6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.136 7.458 5.015 1.00 0.00 H new ATOM 1309 N PRO A 82 -15.685 5.074 5.561 1.00 0.00 N ATOM 1310 CA PRO A 82 -16.704 4.439 4.744 1.00 0.00 C ATOM 1311 C PRO A 82 -16.912 5.202 3.434 1.00 0.00 C ATOM 1312 O PRO A 82 -16.996 4.598 2.366 1.00 0.00 O ATOM 1313 CB PRO A 82 -17.948 4.410 5.618 1.00 0.00 C ATOM 1314 CG PRO A 82 -17.713 5.440 6.711 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.238 5.808 6.695 1.00 0.00 C ATOM 0 HA PRO A 82 -16.427 3.431 4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.839 4.652 5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.104 3.418 6.043 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.329 6.323 6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -17.995 5.036 7.683 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.099 6.883 6.577 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.749 5.524 7.627 1.00 0.00 H new ATOM 1323 N ARG A 83 -16.988 6.519 3.560 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.183 7.372 2.400 1.00 0.00 C ATOM 1325 C ARG A 83 -15.866 7.548 1.643 1.00 0.00 C ATOM 1326 O ARG A 83 -15.867 7.813 0.442 1.00 0.00 O ATOM 1327 CB ARG A 83 -17.716 8.746 2.810 1.00 0.00 C ATOM 1328 CG ARG A 83 -16.659 9.534 3.587 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.252 10.819 4.169 1.00 0.00 C ATOM 1330 NE ARG A 83 -16.632 11.999 3.525 1.00 0.00 N ATOM 1331 CZ ARG A 83 -17.195 13.214 3.483 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -18.393 13.417 4.047 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -16.559 14.226 2.877 1.00 0.00 N ATOM 0 H ARG A 83 -16.918 7.016 4.448 1.00 0.00 H new ATOM 0 HA ARG A 83 -17.916 6.889 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.012 9.305 1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.609 8.626 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.259 8.917 4.391 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.826 9.779 2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -18.331 10.834 4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.084 10.852 5.246 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.719 11.880 3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.877 12.647 4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.822 14.342 4.015 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.647 14.071 2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.987 15.151 2.845 1.00 0.00 H new ATOM 1347 N LEU A 84 -14.773 7.394 2.376 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.451 7.532 1.789 1.00 0.00 C ATOM 1349 C LEU A 84 -13.045 6.208 1.138 1.00 0.00 C ATOM 1350 O LEU A 84 -12.510 6.195 0.031 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.452 8.037 2.831 1.00 0.00 C ATOM 1352 CG LEU A 84 -12.603 9.501 3.252 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -11.472 9.920 4.193 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -12.700 10.415 2.029 1.00 0.00 C ATOM 0 H LEU A 84 -14.776 7.175 3.372 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.461 8.285 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.539 7.413 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.445 7.895 2.439 1.00 0.00 H new ATOM 0 HG LEU A 84 -13.536 9.603 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.603 10.964 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.492 9.296 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.514 9.799 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -12.807 11.449 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.796 10.316 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -13.566 10.132 1.431 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.316 5.127 1.854 1.00 0.00 N ATOM 1367 CA ARG A 85 -12.986 3.801 1.360 1.00 0.00 C ATOM 1368 C ARG A 85 -13.576 3.592 -0.036 1.00 0.00 C ATOM 1369 O ARG A 85 -12.869 3.189 -0.958 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.517 2.715 2.299 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.429 1.334 1.646 1.00 0.00 C ATOM 1372 CD ARG A 85 -13.487 0.226 2.698 1.00 0.00 C ATOM 1373 NE ARG A 85 -13.396 -1.099 2.044 1.00 0.00 N ATOM 1374 CZ ARG A 85 -13.761 -2.250 2.624 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -14.244 -2.247 3.874 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -13.643 -3.405 1.954 1.00 0.00 N ATOM 0 H ARG A 85 -13.760 5.142 2.772 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.900 3.726 1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -12.945 2.720 3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.552 2.931 2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.247 1.210 0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.501 1.254 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -12.670 0.346 3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.416 0.298 3.263 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.032 -1.138 1.092 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.334 -1.368 4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -14.522 -3.124 4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.275 -3.407 1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.921 -4.281 2.396 1.00 0.00 H new ATOM 1390 N GLU A 86 -14.865 3.876 -0.147 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.558 3.724 -1.416 1.00 0.00 C ATOM 1392 C GLU A 86 -14.856 4.538 -2.504 1.00 0.00 C ATOM 1393 O GLU A 86 -14.682 4.062 -3.625 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.028 4.130 -1.289 1.00 0.00 C ATOM 1395 CG GLU A 86 -17.830 3.058 -0.548 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.332 3.242 -0.777 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.717 3.342 -1.962 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -20.061 3.277 0.237 1.00 0.00 O ATOM 0 H GLU A 86 -15.448 4.210 0.620 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.529 2.672 -1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.103 5.078 -0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.453 4.287 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.525 2.069 -0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.612 3.108 0.519 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.472 5.752 -2.136 1.00 0.00 N ATOM 1406 CA GLN A 87 -13.793 6.636 -3.068 1.00 0.00 C ATOM 1407 C GLN A 87 -12.367 6.143 -3.325 1.00 0.00 C ATOM 1408 O GLN A 87 -11.871 6.226 -4.448 1.00 0.00 O ATOM 1409 CB GLN A 87 -13.790 8.077 -2.553 1.00 0.00 C ATOM 1410 CG GLN A 87 -14.464 9.018 -3.554 1.00 0.00 C ATOM 1411 CD GLN A 87 -14.478 10.456 -3.030 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -13.844 11.347 -3.570 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -15.235 10.631 -1.951 1.00 0.00 N ATOM 0 H GLN A 87 -14.618 6.144 -1.206 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.337 6.623 -4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.309 8.126 -1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.765 8.402 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.936 8.979 -4.507 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.485 8.685 -3.741 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.740 9.841 -1.549 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.311 11.555 -1.525 1.00 0.00 H new ATOM 1422 N VAL A 88 -11.749 5.642 -2.266 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.390 5.136 -2.363 1.00 0.00 C ATOM 1424 C VAL A 88 -10.357 3.960 -3.342 1.00 0.00 C ATOM 1425 O VAL A 88 -9.521 3.922 -4.243 1.00 0.00 O ATOM 1426 CB VAL A 88 -9.867 4.770 -0.973 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.534 4.026 -1.066 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -9.741 6.014 -0.090 1.00 0.00 C ATOM 0 H VAL A 88 -12.164 5.575 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.724 5.905 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.591 4.101 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.185 3.778 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.668 3.110 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.797 4.660 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.367 5.726 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.048 6.718 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.718 6.485 0.017 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.277 3.031 -3.132 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.364 1.857 -3.985 1.00 0.00 C ATOM 1440 C LEU A 89 -11.518 2.301 -5.441 1.00 0.00 C ATOM 1441 O LEU A 89 -10.954 1.685 -6.344 1.00 0.00 O ATOM 1442 CB LEU A 89 -12.480 0.927 -3.504 1.00 0.00 C ATOM 1443 CG LEU A 89 -12.382 0.457 -2.052 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -13.765 0.121 -1.490 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -11.409 -0.716 -1.919 1.00 0.00 C ATOM 0 H LEU A 89 -11.969 3.067 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.446 1.273 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.434 1.438 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.497 0.049 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.982 1.276 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.667 -0.211 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.398 1.007 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.216 -0.673 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.358 -1.030 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.756 -1.548 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.419 -0.407 -2.253 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.285 3.366 -5.624 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.520 3.899 -6.955 1.00 0.00 C ATOM 1459 C ARG A 90 -11.190 4.160 -7.665 1.00 0.00 C ATOM 1460 O ARG A 90 -11.134 4.195 -8.893 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.321 5.201 -6.893 1.00 0.00 C ATOM 1462 CG ARG A 90 -14.725 5.009 -7.472 1.00 0.00 C ATOM 1463 CD ARG A 90 -15.795 5.447 -6.470 1.00 0.00 C ATOM 1464 NE ARG A 90 -16.171 6.857 -6.716 1.00 0.00 N ATOM 1465 CZ ARG A 90 -16.847 7.277 -7.795 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -17.224 6.398 -8.733 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -17.145 8.576 -7.935 1.00 0.00 N ATOM 0 H ARG A 90 -12.752 3.874 -4.873 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.094 3.158 -7.512 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.393 5.539 -5.859 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.798 5.980 -7.447 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -14.825 5.585 -8.392 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.874 3.962 -7.734 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -16.673 4.807 -6.560 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.420 5.334 -5.453 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.899 7.553 -6.021 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.997 5.409 -8.626 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -17.738 6.717 -9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.858 9.245 -7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.659 8.896 -8.756 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.151 4.337 -6.861 1.00 0.00 N ATOM 1482 CA GLU A 91 -8.825 4.594 -7.397 1.00 0.00 C ATOM 1483 C GLU A 91 -7.897 3.412 -7.107 1.00 0.00 C ATOM 1484 O GLU A 91 -7.136 2.988 -7.975 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.249 5.895 -6.835 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.222 7.058 -7.038 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.904 7.821 -8.325 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -7.710 8.136 -8.517 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -9.862 8.071 -9.088 1.00 0.00 O ATOM 0 H GLU A 91 -10.201 4.307 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.907 4.709 -8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.038 5.774 -5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.302 6.119 -7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.243 6.679 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.167 7.736 -6.186 1.00 0.00 H new ATOM 1496 N ALA A 92 -7.992 2.914 -5.883 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.170 1.790 -5.467 1.00 0.00 C ATOM 1498 C ALA A 92 -7.169 0.729 -6.569 1.00 0.00 C ATOM 1499 O ALA A 92 -8.228 0.320 -7.043 1.00 0.00 O ATOM 1500 CB ALA A 92 -7.687 1.245 -4.134 1.00 0.00 C ATOM 0 H ALA A 92 -8.625 3.268 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.138 2.106 -5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.071 0.402 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.640 2.029 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.719 0.916 -4.251 1.00 0.00 H new ATOM 1506 N ILE A 93 -5.969 0.314 -6.946 1.00 0.00 N ATOM 1507 CA ILE A 93 -5.816 -0.691 -7.984 1.00 0.00 C ATOM 1508 C ILE A 93 -4.946 -1.834 -7.457 1.00 0.00 C ATOM 1509 O ILE A 93 -3.762 -1.642 -7.184 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.285 -0.056 -9.271 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -3.906 0.566 -9.047 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.285 0.954 -9.837 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -2.795 -0.384 -9.497 1.00 0.00 C ATOM 0 H ILE A 93 -5.093 0.656 -6.551 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.783 -1.120 -8.244 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.166 -0.843 -10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.833 1.504 -9.598 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.779 0.806 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.883 1.391 -10.751 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.226 0.450 -10.059 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.460 1.742 -9.105 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.825 0.084 -9.326 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.856 -1.311 -8.927 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.911 -0.602 -10.559 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.582 -3.028 -7.327 1.00 0.00 N ATOM 1526 CA PRO A 94 -4.879 -4.202 -6.838 1.00 0.00 C ATOM 1527 C PRO A 94 -3.952 -4.773 -7.913 1.00 0.00 C ATOM 1528 O PRO A 94 -4.414 -5.225 -8.960 1.00 0.00 O ATOM 1529 CB PRO A 94 -5.973 -5.171 -6.421 1.00 0.00 C ATOM 1530 CG PRO A 94 -7.237 -4.697 -7.119 1.00 0.00 C ATOM 1531 CD PRO A 94 -6.983 -3.293 -7.642 1.00 0.00 C ATOM 0 HA PRO A 94 -4.222 -3.979 -5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.724 -6.191 -6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.102 -5.173 -5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.495 -5.368 -7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.079 -4.700 -6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.166 -3.231 -8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.641 -2.567 -7.164 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.661 -4.734 -7.618 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.665 -5.243 -8.546 1.00 0.00 C ATOM 1541 C LEU A 95 -1.617 -6.769 -8.451 1.00 0.00 C ATOM 1542 O LEU A 95 -1.237 -7.443 -9.407 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.313 -4.569 -8.304 1.00 0.00 C ATOM 1544 CG LEU A 95 0.831 -5.014 -9.216 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.579 -3.807 -9.787 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.770 -5.978 -8.488 1.00 0.00 C ATOM 0 H LEU A 95 -2.281 -4.358 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.939 -4.996 -9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.441 -3.492 -8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.019 -4.751 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 95 0.404 -5.556 -10.059 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.387 -4.152 -10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.890 -3.192 -10.366 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.993 -3.216 -8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.574 -6.279 -9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.193 -5.483 -7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.213 -6.860 -8.172 1.00 0.00 H new TER 1558 LEU A 95