USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 895 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 46 HIS HE2 : A 46 HIS NE2 : A 201 7BUZN :(H bumps) USER MOD Single : A 1 SER N :NH3+ -158:sc= -0.0629 (180deg=-0.437) USER MOD Single : A 1 SER OG : rot 180:sc= 0.298 USER MOD Single : A 5 LYS NZ :NH3+ 158:sc= -0.115 (180deg=-0.523) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.102 F(o=-0.97,f=-0.1) USER MOD Single : A 9 THR OG1 : rot 6:sc= 1.54 USER MOD Single : A 15 GLN : amide:sc= -0.21 K(o=-0.21,f=-0.78) USER MOD Single : A 18 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.78) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc=-0.00381 (180deg=-0.0888) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0516 X(o=-0.052,f=-0.086) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.081) USER MOD Single : A 48 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.86) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00629 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.0371 (180deg=-0.3) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 67 GLN : amide:sc= -0.323 K(o=-0.32,f=-4.3!) USER MOD Single : A 70 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.9!) USER MOD Single : A 73 GLN : amide:sc= 0.966 K(o=0.97,f=-0.94) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= 1.26 (180deg=0.919) USER MOD Single : A 84 LYS NZ :NH3+ -123:sc= 1.2 (180deg=-0.168) USER MOD Single : A 86 SER OG : rot 75:sc= 1.19 USER MOD Single : A 89 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.3) USER MOD Single : A 96 GLN : amide:sc= -0.175 K(o=-0.18,f=-1) USER MOD Single : A 99 GLN : amide:sc= 0.0698 K(o=0.07,f=-8.1!) USER MOD Single : A 100 LYS NZ :NH3+ 163:sc= 0.43 (180deg=0.283) USER MOD Single : A 107 LYS NZ :NH3+ 169:sc= -0.0339 (180deg=-0.216) USER MOD Single : A 108 LYS NZ :NH3+ -141:sc= 1.25 (180deg=0.0755) USER MOD Single : A 109 ASN : amide:sc= -0.0491 X(o=-0.049,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.467 -1.619 -9.443 1.00 0.00 N ATOM 2 CA SER A 1 1.407 -2.620 -8.381 1.00 0.00 C ATOM 3 C SER A 1 -0.049 -2.958 -8.096 1.00 0.00 C ATOM 4 O SER A 1 -0.924 -2.608 -8.886 1.00 0.00 O ATOM 5 CB SER A 1 2.102 -2.089 -7.115 1.00 0.00 C ATOM 6 OG SER A 1 2.278 -3.122 -6.153 1.00 0.00 O ATOM 0 H1 SER A 1 2.402 -1.651 -9.898 1.00 0.00 H new ATOM 0 H2 SER A 1 0.731 -1.819 -10.150 1.00 0.00 H new ATOM 0 H3 SER A 1 1.311 -0.674 -9.038 1.00 0.00 H new ATOM 0 HA SER A 1 1.926 -3.524 -8.698 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.071 -1.666 -7.379 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.509 -1.283 -6.683 1.00 0.00 H new ATOM 0 HG SER A 1 2.723 -2.758 -5.360 1.00 0.00 H new ATOM 14 N GLU A 2 -0.294 -3.630 -6.971 1.00 0.00 N ATOM 15 CA GLU A 2 -1.636 -4.039 -6.555 1.00 0.00 C ATOM 16 C GLU A 2 -2.249 -5.046 -7.510 1.00 0.00 C ATOM 17 O GLU A 2 -2.734 -4.694 -8.589 1.00 0.00 O ATOM 18 CB GLU A 2 -2.562 -2.832 -6.363 1.00 0.00 C ATOM 19 CG GLU A 2 -2.135 -1.932 -5.224 1.00 0.00 C ATOM 20 CD GLU A 2 -1.910 -2.711 -3.950 1.00 0.00 C ATOM 21 OE1 GLU A 2 -0.756 -3.091 -3.679 1.00 0.00 O ATOM 22 OE2 GLU A 2 -2.889 -2.961 -3.218 1.00 0.00 O1- ATOM 0 H GLU A 2 0.439 -3.908 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.525 -4.532 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.590 -2.252 -7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.576 -3.186 -6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.218 -1.409 -5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.898 -1.172 -5.056 1.00 0.00 H new ATOM 29 N PHE A 3 -2.232 -6.301 -7.101 1.00 0.00 N ATOM 30 CA PHE A 3 -2.771 -7.377 -7.910 1.00 0.00 C ATOM 31 C PHE A 3 -4.278 -7.251 -8.035 1.00 0.00 C ATOM 32 O PHE A 3 -4.859 -7.659 -9.038 1.00 0.00 O ATOM 33 CB PHE A 3 -2.388 -8.735 -7.328 1.00 0.00 C ATOM 34 CG PHE A 3 -0.906 -8.970 -7.298 1.00 0.00 C ATOM 35 CD1 PHE A 3 -0.188 -8.804 -6.125 1.00 0.00 C ATOM 36 CD2 PHE A 3 -0.228 -9.352 -8.446 1.00 0.00 C ATOM 37 CE1 PHE A 3 1.175 -9.014 -6.097 1.00 0.00 C ATOM 38 CE2 PHE A 3 1.136 -9.564 -8.423 1.00 0.00 C ATOM 39 CZ PHE A 3 1.839 -9.396 -7.248 1.00 0.00 C ATOM 0 H PHE A 3 -1.847 -6.601 -6.205 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.339 -7.302 -8.908 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.782 -8.813 -6.315 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -2.862 -9.521 -7.915 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.701 -8.507 -5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.773 -9.485 -9.369 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.723 -8.880 -5.176 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.652 -9.861 -9.324 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.906 -9.563 -7.227 1.00 0.00 H new ATOM 49 N GLU A 4 -4.906 -6.664 -7.021 1.00 0.00 N ATOM 50 CA GLU A 4 -6.338 -6.444 -7.052 1.00 0.00 C ATOM 51 C GLU A 4 -6.689 -5.441 -8.135 1.00 0.00 C ATOM 52 O GLU A 4 -7.639 -5.635 -8.882 1.00 0.00 O ATOM 53 CB GLU A 4 -6.849 -5.966 -5.695 1.00 0.00 C ATOM 54 CG GLU A 4 -6.811 -7.036 -4.619 1.00 0.00 C ATOM 55 CD GLU A 4 -7.612 -8.263 -5.001 1.00 0.00 C ATOM 56 OE1 GLU A 4 -7.001 -9.298 -5.335 1.00 0.00 O ATOM 57 OE2 GLU A 4 -8.856 -8.203 -4.972 1.00 0.00 O1- ATOM 0 H GLU A 4 -4.444 -6.335 -6.173 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.825 -7.393 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.251 -5.115 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.874 -5.611 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.776 -7.324 -4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.201 -6.626 -3.688 1.00 0.00 H new ATOM 64 N LYS A 5 -5.898 -4.377 -8.232 1.00 0.00 N ATOM 65 CA LYS A 5 -6.110 -3.370 -9.259 1.00 0.00 C ATOM 66 C LYS A 5 -5.828 -3.988 -10.626 1.00 0.00 C ATOM 67 O LYS A 5 -6.561 -3.766 -11.591 1.00 0.00 O ATOM 68 CB LYS A 5 -5.204 -2.161 -9.017 1.00 0.00 C ATOM 69 CG LYS A 5 -5.605 -0.927 -9.804 1.00 0.00 C ATOM 70 CD LYS A 5 -4.682 0.244 -9.510 1.00 0.00 C ATOM 71 CE LYS A 5 -5.218 1.534 -10.112 1.00 0.00 C ATOM 72 NZ LYS A 5 -6.526 1.914 -9.519 1.00 0.00 N1+ ATOM 0 H LYS A 5 -5.108 -4.193 -7.613 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.144 -3.026 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.211 -1.921 -7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.180 -2.429 -9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.582 -1.151 -10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.631 -0.654 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.572 0.361 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.690 0.038 -9.911 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.499 2.337 -9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.328 1.415 -11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.685 2.933 -9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.287 1.381 -9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.523 1.694 -8.503 1.00 0.00 H new ATOM 86 N LEU A 6 -4.725 -4.730 -10.695 1.00 0.00 N ATOM 87 CA LEU A 6 -4.376 -5.507 -11.888 1.00 0.00 C ATOM 88 C LEU A 6 -5.582 -6.347 -12.346 1.00 0.00 C ATOM 89 O LEU A 6 -5.939 -6.344 -13.530 1.00 0.00 O ATOM 90 CB LEU A 6 -3.182 -6.420 -11.575 1.00 0.00 C ATOM 91 CG LEU A 6 -2.550 -7.150 -12.762 1.00 0.00 C ATOM 92 CD1 LEU A 6 -1.868 -6.165 -13.696 1.00 0.00 C ATOM 93 CD2 LEU A 6 -1.559 -8.195 -12.275 1.00 0.00 C ATOM 0 H LEU A 6 -4.051 -4.811 -9.934 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.103 -4.825 -12.693 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.410 -5.819 -11.094 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.504 -7.166 -10.848 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.342 -7.654 -13.316 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.425 -6.704 -14.533 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.602 -5.452 -14.071 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.087 -5.631 -13.155 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.118 -8.705 -13.131 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.772 -7.709 -11.698 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.075 -8.921 -11.646 1.00 0.00 H new ATOM 105 N ARG A 7 -6.194 -7.056 -11.400 1.00 0.00 N ATOM 106 CA ARG A 7 -7.407 -7.838 -11.657 1.00 0.00 C ATOM 107 C ARG A 7 -8.576 -6.945 -12.098 1.00 0.00 C ATOM 108 O ARG A 7 -9.265 -7.251 -13.069 1.00 0.00 O ATOM 109 CB ARG A 7 -7.799 -8.608 -10.389 1.00 0.00 C ATOM 110 CG ARG A 7 -7.001 -9.883 -10.152 1.00 0.00 C ATOM 111 CD ARG A 7 -7.632 -11.068 -10.872 1.00 0.00 C ATOM 112 NE ARG A 7 -8.945 -11.404 -10.309 1.00 0.00 N ATOM 113 CZ ARG A 7 -10.118 -11.066 -10.859 1.00 0.00 C ATOM 114 NH1 ARG A 7 -10.151 -10.386 -12.005 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -11.250 -11.407 -10.257 1.00 0.00 N ATOM 0 H ARG A 7 -5.866 -7.106 -10.435 1.00 0.00 H new ATOM 0 HA ARG A 7 -7.192 -8.534 -12.468 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.675 -7.952 -9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.857 -8.862 -10.446 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.978 -9.745 -10.501 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.949 -10.089 -9.083 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.738 -10.836 -11.932 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.972 -11.932 -10.799 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.965 -11.933 -9.437 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.281 -10.121 -12.466 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.047 -10.130 -12.421 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.225 -11.925 -9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.146 -11.151 -10.673 1.00 0.00 H new ATOM 129 N GLN A 8 -8.772 -5.843 -11.388 1.00 0.00 N ATOM 130 CA GLN A 8 -9.862 -4.908 -11.699 1.00 0.00 C ATOM 131 C GLN A 8 -9.730 -4.329 -13.101 1.00 0.00 C ATOM 132 O GLN A 8 -10.713 -4.264 -13.842 1.00 0.00 O ATOM 133 CB GLN A 8 -9.934 -3.782 -10.664 1.00 0.00 C ATOM 134 CG GLN A 8 -10.349 -4.250 -9.277 1.00 0.00 C ATOM 135 CD GLN A 8 -11.732 -4.886 -9.252 1.00 0.00 C ATOM 136 OE1 GLN A 8 -12.627 -4.407 -10.100 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -11.995 -5.787 -8.462 1.00 0.00 N flip ATOM 0 H GLN A 8 -8.196 -5.568 -10.593 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.791 -5.478 -11.660 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.959 -3.299 -10.598 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.641 -3.028 -11.010 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.618 -4.969 -8.909 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.333 -3.401 -8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.278 -6.130 -7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.931 -6.193 -8.444 1.00 0.00 H new ATOM 146 N THR A 9 -8.526 -3.914 -13.477 1.00 0.00 N ATOM 147 CA THR A 9 -8.292 -3.402 -14.817 1.00 0.00 C ATOM 148 C THR A 9 -8.486 -4.495 -15.870 1.00 0.00 C ATOM 149 O THR A 9 -8.775 -4.205 -17.033 1.00 0.00 O ATOM 150 CB THR A 9 -6.881 -2.787 -14.947 1.00 0.00 C ATOM 151 OG1 THR A 9 -5.897 -3.700 -14.434 1.00 0.00 O ATOM 152 CG2 THR A 9 -6.795 -1.475 -14.184 1.00 0.00 C ATOM 0 H THR A 9 -7.703 -3.923 -12.875 1.00 0.00 H new ATOM 0 HA THR A 9 -9.027 -2.617 -14.993 1.00 0.00 H new ATOM 0 HB THR A 9 -6.688 -2.596 -16.003 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.327 -4.551 -14.208 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.793 -1.058 -14.288 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.524 -0.772 -14.586 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.006 -1.653 -13.129 1.00 0.00 H new ATOM 160 N GLY A 10 -8.334 -5.748 -15.451 1.00 0.00 N ATOM 161 CA GLY A 10 -8.564 -6.860 -16.346 1.00 0.00 C ATOM 162 C GLY A 10 -10.036 -6.992 -16.652 1.00 0.00 C ATOM 163 O GLY A 10 -10.436 -7.034 -17.815 1.00 0.00 O ATOM 0 H GLY A 10 -8.055 -6.010 -14.505 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.005 -6.713 -17.270 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.196 -7.781 -15.894 1.00 0.00 H new ATOM 167 N ASP A 11 -10.843 -7.043 -15.593 1.00 0.00 N ATOM 168 CA ASP A 11 -12.301 -7.089 -15.721 1.00 0.00 C ATOM 169 C ASP A 11 -12.819 -5.930 -16.545 1.00 0.00 C ATOM 170 O ASP A 11 -13.683 -6.105 -17.405 1.00 0.00 O ATOM 171 CB ASP A 11 -12.979 -7.079 -14.344 1.00 0.00 C ATOM 172 CG ASP A 11 -13.063 -8.447 -13.707 1.00 0.00 C ATOM 173 OD1 ASP A 11 -14.134 -9.088 -13.823 1.00 0.00 O ATOM 174 OD2 ASP A 11 -12.082 -8.890 -13.080 1.00 0.00 O1- ATOM 0 H ASP A 11 -10.509 -7.054 -14.629 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.546 -8.021 -16.231 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.429 -6.411 -13.681 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.985 -6.671 -14.445 1.00 0.00 H new ATOM 179 N GLU A 12 -12.286 -4.745 -16.288 1.00 0.00 N ATOM 180 CA GLU A 12 -12.698 -3.562 -16.987 1.00 0.00 C ATOM 181 C GLU A 12 -12.404 -3.685 -18.484 1.00 0.00 C ATOM 182 O GLU A 12 -13.250 -3.353 -19.322 1.00 0.00 O ATOM 183 CB GLU A 12 -11.991 -2.355 -16.398 1.00 0.00 C ATOM 184 CG GLU A 12 -12.661 -1.054 -16.730 1.00 0.00 C ATOM 185 CD GLU A 12 -14.090 -1.005 -16.232 1.00 0.00 C ATOM 186 OE1 GLU A 12 -14.319 -0.507 -15.117 1.00 0.00 O ATOM 187 OE2 GLU A 12 -14.992 -1.490 -16.949 1.00 0.00 O1- ATOM 0 H GLU A 12 -11.559 -4.588 -15.590 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.774 -3.437 -16.870 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.942 -2.464 -15.315 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.964 -2.330 -16.763 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.096 -0.233 -16.289 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.649 -0.906 -17.810 1.00 0.00 H new ATOM 194 N LEU A 13 -11.209 -4.163 -18.812 1.00 0.00 N ATOM 195 CA LEU A 13 -10.815 -4.370 -20.201 1.00 0.00 C ATOM 196 C LEU A 13 -11.730 -5.390 -20.887 1.00 0.00 C ATOM 197 O LEU A 13 -12.173 -5.174 -22.015 1.00 0.00 O ATOM 198 CB LEU A 13 -9.354 -4.835 -20.269 1.00 0.00 C ATOM 199 CG LEU A 13 -8.764 -5.006 -21.672 1.00 0.00 C ATOM 200 CD1 LEU A 13 -8.750 -3.678 -22.413 1.00 0.00 C ATOM 201 CD2 LEU A 13 -7.360 -5.587 -21.590 1.00 0.00 C ATOM 0 H LEU A 13 -10.493 -4.416 -18.131 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.912 -3.421 -20.729 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.740 -4.118 -19.724 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.273 -5.787 -19.745 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.394 -5.701 -22.228 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.327 -3.821 -23.407 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.769 -3.301 -22.502 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.144 -2.960 -21.861 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.955 -5.702 -22.595 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.721 -4.916 -21.016 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.397 -6.560 -21.100 1.00 0.00 H new ATOM 213 N VAL A 14 -12.020 -6.492 -20.198 1.00 0.00 N ATOM 214 CA VAL A 14 -12.908 -7.523 -20.739 1.00 0.00 C ATOM 215 C VAL A 14 -14.303 -6.945 -21.004 1.00 0.00 C ATOM 216 O VAL A 14 -14.896 -7.180 -22.058 1.00 0.00 O ATOM 217 CB VAL A 14 -13.023 -8.742 -19.786 1.00 0.00 C ATOM 218 CG1 VAL A 14 -13.973 -9.787 -20.353 1.00 0.00 C ATOM 219 CG2 VAL A 14 -11.654 -9.354 -19.537 1.00 0.00 C ATOM 0 H VAL A 14 -11.655 -6.695 -19.267 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.471 -7.865 -21.677 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.427 -8.392 -18.836 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -14.037 -10.631 -19.667 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.962 -9.348 -20.481 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.601 -10.131 -21.318 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.754 -10.208 -18.867 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.225 -9.684 -20.483 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.000 -8.610 -19.082 1.00 0.00 H new ATOM 229 N GLN A 15 -14.813 -6.191 -20.040 1.00 0.00 N ATOM 230 CA GLN A 15 -16.109 -5.533 -20.181 1.00 0.00 C ATOM 231 C GLN A 15 -16.120 -4.582 -21.382 1.00 0.00 C ATOM 232 O GLN A 15 -17.120 -4.480 -22.095 1.00 0.00 O ATOM 233 CB GLN A 15 -16.490 -4.795 -18.897 1.00 0.00 C ATOM 234 CG GLN A 15 -16.785 -5.727 -17.728 1.00 0.00 C ATOM 235 CD GLN A 15 -17.956 -6.653 -18.004 1.00 0.00 C ATOM 236 OE1 GLN A 15 -18.885 -6.298 -18.726 1.00 0.00 O ATOM 237 NE2 GLN A 15 -17.915 -7.845 -17.441 1.00 0.00 N ATOM 0 H GLN A 15 -14.349 -6.018 -19.148 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.856 -6.306 -20.361 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.679 -4.122 -18.619 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -17.367 -4.176 -19.089 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.899 -6.323 -17.510 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -16.997 -5.133 -16.839 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -17.126 -8.102 -16.848 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.672 -8.510 -17.599 1.00 0.00 H new ATOM 246 N ALA A 16 -15.008 -3.889 -21.604 1.00 0.00 N ATOM 247 CA ALA A 16 -14.881 -2.988 -22.746 1.00 0.00 C ATOM 248 C ALA A 16 -14.903 -3.776 -24.051 1.00 0.00 C ATOM 249 O ALA A 16 -15.464 -3.331 -25.051 1.00 0.00 O ATOM 250 CB ALA A 16 -13.602 -2.169 -22.640 1.00 0.00 C ATOM 0 H ALA A 16 -14.181 -3.933 -21.009 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.729 -2.304 -22.741 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.524 -1.503 -23.500 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.623 -1.578 -21.724 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.742 -2.838 -22.620 1.00 0.00 H new ATOM 256 N PHE A 17 -14.307 -4.962 -24.016 1.00 0.00 N ATOM 257 CA PHE A 17 -14.249 -5.838 -25.179 1.00 0.00 C ATOM 258 C PHE A 17 -15.656 -6.282 -25.575 1.00 0.00 C ATOM 259 O PHE A 17 -15.977 -6.389 -26.761 1.00 0.00 O ATOM 260 CB PHE A 17 -13.360 -7.058 -24.902 1.00 0.00 C ATOM 261 CG PHE A 17 -13.163 -7.950 -26.100 1.00 0.00 C ATOM 262 CD1 PHE A 17 -12.210 -7.643 -27.057 1.00 0.00 C ATOM 263 CD2 PHE A 17 -13.930 -9.094 -26.267 1.00 0.00 C ATOM 264 CE1 PHE A 17 -12.026 -8.457 -28.158 1.00 0.00 C ATOM 265 CE2 PHE A 17 -13.750 -9.911 -27.366 1.00 0.00 C ATOM 266 CZ PHE A 17 -12.797 -9.592 -28.313 1.00 0.00 C ATOM 0 H PHE A 17 -13.853 -5.342 -23.185 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.810 -5.281 -26.007 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.386 -6.715 -24.552 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.801 -7.642 -24.094 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.604 -6.757 -26.941 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.676 -9.349 -25.529 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.280 -8.206 -28.897 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.354 -10.798 -27.485 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.655 -10.229 -29.173 1.00 0.00 H new ATOM 276 N GLN A 18 -16.490 -6.542 -24.574 1.00 0.00 N ATOM 277 CA GLN A 18 -17.864 -6.957 -24.814 1.00 0.00 C ATOM 278 C GLN A 18 -18.630 -5.860 -25.540 1.00 0.00 C ATOM 279 O GLN A 18 -19.357 -6.127 -26.496 1.00 0.00 O ATOM 280 CB GLN A 18 -18.559 -7.302 -23.502 1.00 0.00 C ATOM 281 CG GLN A 18 -17.917 -8.458 -22.759 1.00 0.00 C ATOM 282 CD GLN A 18 -18.648 -8.802 -21.483 1.00 0.00 C ATOM 283 OE1 GLN A 18 -19.862 -8.614 -21.378 1.00 0.00 O ATOM 284 NE2 GLN A 18 -17.924 -9.315 -20.512 1.00 0.00 N ATOM 0 H GLN A 18 -16.237 -6.472 -23.588 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.847 -7.848 -25.441 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -18.558 -6.422 -22.858 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -19.601 -7.547 -23.706 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -17.893 -9.334 -23.407 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.883 -8.206 -22.525 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.922 -9.454 -20.642 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -18.365 -9.574 -19.629 1.00 0.00 H new ATOM 293 N ARG A 19 -18.447 -4.617 -25.094 1.00 0.00 N ATOM 294 CA ARG A 19 -19.085 -3.470 -25.728 1.00 0.00 C ATOM 295 C ARG A 19 -18.543 -3.293 -27.141 1.00 0.00 C ATOM 296 O ARG A 19 -19.267 -2.895 -28.055 1.00 0.00 O ATOM 297 CB ARG A 19 -18.830 -2.198 -24.912 1.00 0.00 C ATOM 298 CG ARG A 19 -19.560 -0.970 -25.439 1.00 0.00 C ATOM 299 CD ARG A 19 -19.075 0.309 -24.768 1.00 0.00 C ATOM 300 NE ARG A 19 -19.242 0.282 -23.311 1.00 0.00 N ATOM 301 CZ ARG A 19 -19.471 1.371 -22.562 1.00 0.00 C ATOM 302 NH1 ARG A 19 -19.598 2.562 -23.134 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -19.573 1.265 -21.242 1.00 0.00 N ATOM 0 H ARG A 19 -17.860 -4.382 -24.294 1.00 0.00 H new ATOM 0 HA ARG A 19 -20.159 -3.648 -25.773 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -19.133 -2.373 -23.880 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -17.759 -1.995 -24.900 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -19.412 -0.894 -26.516 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -20.631 -1.084 -25.272 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -18.023 0.463 -25.006 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -19.622 1.159 -25.177 1.00 0.00 H new ATOM 0 HE ARG A 19 -19.180 -0.620 -22.839 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -19.522 2.652 -24.147 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -19.772 3.387 -22.560 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -19.477 0.353 -20.795 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -19.747 2.095 -20.676 1.00 0.00 H new ATOM 317 N LEU A 20 -17.258 -3.602 -27.305 1.00 0.00 N ATOM 318 CA LEU A 20 -16.582 -3.496 -28.588 1.00 0.00 C ATOM 319 C LEU A 20 -17.262 -4.400 -29.611 1.00 0.00 C ATOM 320 O LEU A 20 -17.424 -4.029 -30.772 1.00 0.00 O ATOM 321 CB LEU A 20 -15.109 -3.901 -28.428 1.00 0.00 C ATOM 322 CG LEU A 20 -14.217 -3.732 -29.658 1.00 0.00 C ATOM 323 CD1 LEU A 20 -13.965 -2.263 -29.935 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.904 -4.477 -29.471 1.00 0.00 C ATOM 0 H LEU A 20 -16.659 -3.933 -26.548 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.635 -2.465 -28.938 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.681 -3.316 -27.614 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.074 -4.947 -28.122 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.732 -4.158 -30.519 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.328 -2.162 -30.814 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.914 -1.759 -30.115 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.471 -1.810 -29.075 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.282 -4.346 -30.356 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.383 -4.082 -28.599 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.106 -5.538 -29.323 1.00 0.00 H new ATOM 336 N ARG A 21 -17.664 -5.589 -29.162 1.00 0.00 N ATOM 337 CA ARG A 21 -18.363 -6.535 -30.022 1.00 0.00 C ATOM 338 C ARG A 21 -19.669 -5.956 -30.538 1.00 0.00 C ATOM 339 O ARG A 21 -19.946 -6.024 -31.732 1.00 0.00 O ATOM 340 CB ARG A 21 -18.649 -7.845 -29.281 1.00 0.00 C ATOM 341 CG ARG A 21 -17.463 -8.790 -29.169 1.00 0.00 C ATOM 342 CD ARG A 21 -16.920 -9.171 -30.542 1.00 0.00 C ATOM 343 NE ARG A 21 -17.989 -9.473 -31.510 1.00 0.00 N ATOM 344 CZ ARG A 21 -18.003 -10.526 -32.330 1.00 0.00 C ATOM 345 NH1 ARG A 21 -17.077 -11.482 -32.227 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -18.966 -10.636 -33.234 1.00 0.00 N ATOM 0 H ARG A 21 -17.516 -5.917 -28.208 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.709 -6.737 -30.870 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -19.002 -7.608 -28.277 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -19.461 -8.364 -29.790 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.674 -8.318 -28.583 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.763 -9.690 -28.633 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.307 -8.355 -30.926 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.269 -10.039 -30.443 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.778 -8.828 -31.557 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.349 -11.412 -31.516 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.098 -12.282 -32.859 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.689 -9.919 -33.299 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.984 -11.437 -33.865 1.00 0.00 H new ATOM 360 N GLU A 22 -20.450 -5.357 -29.646 1.00 0.00 N ATOM 361 CA GLU A 22 -21.740 -4.799 -30.036 1.00 0.00 C ATOM 362 C GLU A 22 -21.554 -3.712 -31.076 1.00 0.00 C ATOM 363 O GLU A 22 -22.170 -3.744 -32.136 1.00 0.00 O ATOM 364 CB GLU A 22 -22.469 -4.208 -28.831 1.00 0.00 C ATOM 365 CG GLU A 22 -22.816 -5.205 -27.747 1.00 0.00 C ATOM 366 CD GLU A 22 -23.695 -4.591 -26.683 1.00 0.00 C ATOM 367 OE1 GLU A 22 -23.181 -4.244 -25.600 1.00 0.00 O ATOM 368 OE2 GLU A 22 -24.909 -4.439 -26.932 1.00 0.00 O1- ATOM 0 H GLU A 22 -20.217 -5.246 -28.659 1.00 0.00 H new ATOM 0 HA GLU A 22 -22.336 -5.611 -30.453 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.849 -3.423 -28.398 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -23.388 -3.734 -29.177 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -23.325 -6.061 -28.190 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -21.900 -5.580 -27.290 1.00 0.00 H new ATOM 375 N ILE A 23 -20.701 -2.759 -30.767 1.00 0.00 N ATOM 376 CA ILE A 23 -20.396 -1.666 -31.675 1.00 0.00 C ATOM 377 C ILE A 23 -19.885 -2.161 -33.034 1.00 0.00 C ATOM 378 O ILE A 23 -20.264 -1.620 -34.079 1.00 0.00 O ATOM 379 CB ILE A 23 -19.360 -0.719 -31.048 1.00 0.00 C ATOM 380 CG1 ILE A 23 -19.898 -0.160 -29.735 1.00 0.00 C ATOM 381 CG2 ILE A 23 -19.028 0.410 -32.004 1.00 0.00 C ATOM 382 CD1 ILE A 23 -18.905 0.685 -28.984 1.00 0.00 C ATOM 0 H ILE A 23 -20.198 -2.717 -29.881 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.329 -1.129 -31.847 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.447 -1.279 -30.847 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.786 0.437 -29.942 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.211 -0.988 -29.099 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.293 1.071 -31.545 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -18.619 -0.003 -32.926 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.933 0.974 -32.229 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.359 1.047 -28.062 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.026 0.087 -28.745 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -18.610 1.534 -29.601 1.00 0.00 H new ATOM 394 N PHE A 24 -19.049 -3.192 -33.024 1.00 0.00 N ATOM 395 CA PHE A 24 -18.503 -3.717 -34.269 1.00 0.00 C ATOM 396 C PHE A 24 -19.595 -4.377 -35.094 1.00 0.00 C ATOM 397 O PHE A 24 -19.743 -4.098 -36.284 1.00 0.00 O ATOM 398 CB PHE A 24 -17.372 -4.717 -34.010 1.00 0.00 C ATOM 399 CG PHE A 24 -16.847 -5.348 -35.273 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.009 -4.642 -36.117 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.205 -6.643 -35.621 1.00 0.00 C ATOM 402 CE1 PHE A 24 -15.538 -5.212 -37.281 1.00 0.00 C ATOM 403 CE2 PHE A 24 -16.733 -7.219 -36.786 1.00 0.00 C ATOM 404 CZ PHE A 24 -15.899 -6.502 -37.616 1.00 0.00 C ATOM 0 H PHE A 24 -18.738 -3.675 -32.181 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.092 -2.875 -34.826 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -16.555 -4.209 -33.497 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.731 -5.499 -33.341 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.720 -3.633 -35.862 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -17.860 -7.208 -34.974 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.886 -4.649 -37.932 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.017 -8.228 -37.045 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.528 -6.948 -38.527 1.00 0.00 H new ATOM 414 N ASP A 25 -20.365 -5.244 -34.450 1.00 0.00 N ATOM 415 CA ASP A 25 -21.464 -5.942 -35.113 1.00 0.00 C ATOM 416 C ASP A 25 -22.533 -4.974 -35.612 1.00 0.00 C ATOM 417 O ASP A 25 -23.255 -5.277 -36.559 1.00 0.00 O ATOM 418 CB ASP A 25 -22.093 -6.994 -34.186 1.00 0.00 C ATOM 419 CG ASP A 25 -21.260 -8.264 -34.059 1.00 0.00 C ATOM 420 OD1 ASP A 25 -20.478 -8.387 -33.091 1.00 0.00 O ATOM 421 OD2 ASP A 25 -21.403 -9.162 -34.920 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.250 -5.483 -33.465 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.040 -6.449 -35.979 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.232 -6.559 -33.196 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.083 -7.253 -34.562 1.00 0.00 H new ATOM 426 N LYS A 26 -22.635 -3.811 -34.982 1.00 0.00 N ATOM 427 CA LYS A 26 -23.617 -2.815 -35.392 1.00 0.00 C ATOM 428 C LYS A 26 -23.003 -1.782 -36.342 1.00 0.00 C ATOM 429 O LYS A 26 -23.669 -0.827 -36.750 1.00 0.00 O ATOM 430 CB LYS A 26 -24.244 -2.137 -34.175 1.00 0.00 C ATOM 431 CG LYS A 26 -24.982 -3.106 -33.263 1.00 0.00 C ATOM 432 CD LYS A 26 -25.607 -2.396 -32.080 1.00 0.00 C ATOM 433 CE LYS A 26 -26.201 -3.385 -31.088 1.00 0.00 C ATOM 434 NZ LYS A 26 -27.252 -4.234 -31.700 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.054 -3.535 -34.190 1.00 0.00 H new ATOM 0 HA LYS A 26 -24.407 -3.332 -35.937 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.463 -1.635 -33.604 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -24.937 -1.367 -34.513 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -25.758 -3.620 -33.830 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.290 -3.868 -32.906 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -24.854 -1.786 -31.581 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -26.385 -1.718 -32.430 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -25.408 -4.020 -30.693 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -26.623 -2.840 -30.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -27.709 -4.807 -30.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -27.963 -3.629 -32.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -26.822 -4.861 -32.409 1.00 0.00 H new ATOM 448 N GLY A 27 -21.734 -1.993 -36.698 1.00 0.00 N ATOM 449 CA GLY A 27 -21.043 -1.123 -37.647 1.00 0.00 C ATOM 450 C GLY A 27 -21.003 0.353 -37.272 1.00 0.00 C ATOM 451 O GLY A 27 -20.969 1.208 -38.162 1.00 0.00 O ATOM 0 H GLY A 27 -21.165 -2.761 -36.342 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.019 -1.479 -37.761 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.525 -1.220 -38.620 1.00 0.00 H new ATOM 455 N ASP A 28 -21.009 0.675 -35.992 1.00 0.00 N ATOM 456 CA ASP A 28 -21.019 2.083 -35.605 1.00 0.00 C ATOM 457 C ASP A 28 -19.617 2.619 -35.346 1.00 0.00 C ATOM 458 O ASP A 28 -19.122 2.583 -34.220 1.00 0.00 O ATOM 459 CB ASP A 28 -21.914 2.338 -34.401 1.00 0.00 C ATOM 460 CG ASP A 28 -22.158 3.820 -34.203 1.00 0.00 C ATOM 461 OD1 ASP A 28 -21.525 4.424 -33.328 1.00 0.00 O ATOM 462 OD2 ASP A 28 -22.982 4.390 -34.948 1.00 0.00 O1- ATOM 0 H ASP A 28 -21.007 0.008 -35.220 1.00 0.00 H new ATOM 0 HA ASP A 28 -21.433 2.626 -36.455 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -22.866 1.825 -34.537 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -21.452 1.920 -33.506 1.00 0.00 H new ATOM 467 N ASP A 29 -18.976 3.097 -36.408 1.00 0.00 N ATOM 468 CA ASP A 29 -17.626 3.679 -36.326 1.00 0.00 C ATOM 469 C ASP A 29 -17.562 4.827 -35.323 1.00 0.00 C ATOM 470 O ASP A 29 -16.550 5.017 -34.660 1.00 0.00 O ATOM 471 CB ASP A 29 -17.180 4.224 -37.696 1.00 0.00 C ATOM 472 CG ASP A 29 -17.139 3.187 -38.794 1.00 0.00 C ATOM 473 OD1 ASP A 29 -18.155 3.030 -39.506 1.00 0.00 O ATOM 474 OD2 ASP A 29 -16.088 2.549 -38.979 1.00 0.00 O1- ATOM 0 H ASP A 29 -19.369 3.095 -37.349 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.965 2.876 -36.001 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.857 5.025 -37.993 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.189 4.666 -37.593 1.00 0.00 H new ATOM 479 N ASP A 30 -18.656 5.564 -35.197 1.00 0.00 N ATOM 480 CA ASP A 30 -18.689 6.757 -34.346 1.00 0.00 C ATOM 481 C ASP A 30 -18.492 6.416 -32.877 1.00 0.00 C ATOM 482 O ASP A 30 -17.695 7.056 -32.183 1.00 0.00 O ATOM 483 CB ASP A 30 -19.992 7.535 -34.543 1.00 0.00 C ATOM 484 CG ASP A 30 -20.053 8.225 -35.889 1.00 0.00 C ATOM 485 OD1 ASP A 30 -19.575 9.371 -35.994 1.00 0.00 O ATOM 486 OD2 ASP A 30 -20.572 7.627 -36.850 1.00 0.00 O1- ATOM 0 H ASP A 30 -19.536 5.361 -35.671 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.855 7.389 -34.652 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.837 6.853 -34.448 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.092 8.278 -33.752 1.00 0.00 H new ATOM 491 N SER A 31 -19.215 5.423 -32.399 1.00 0.00 N ATOM 492 CA SER A 31 -19.094 4.989 -31.024 1.00 0.00 C ATOM 493 C SER A 31 -17.794 4.211 -30.835 1.00 0.00 C ATOM 494 O SER A 31 -17.162 4.267 -29.772 1.00 0.00 O ATOM 495 CB SER A 31 -20.302 4.121 -30.637 1.00 0.00 C ATOM 496 OG SER A 31 -20.263 3.749 -29.270 1.00 0.00 O ATOM 0 H SER A 31 -19.897 4.899 -32.948 1.00 0.00 H new ATOM 0 HA SER A 31 -19.074 5.864 -30.375 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.223 4.668 -30.839 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.320 3.225 -31.258 1.00 0.00 H new ATOM 0 HG SER A 31 -21.046 3.199 -29.058 1.00 0.00 H new ATOM 502 N LEU A 32 -17.390 3.515 -31.887 1.00 0.00 N ATOM 503 CA LEU A 32 -16.203 2.672 -31.875 1.00 0.00 C ATOM 504 C LEU A 32 -14.939 3.483 -31.589 1.00 0.00 C ATOM 505 O LEU A 32 -14.100 3.066 -30.792 1.00 0.00 O ATOM 506 CB LEU A 32 -16.089 1.971 -33.233 1.00 0.00 C ATOM 507 CG LEU A 32 -15.028 0.887 -33.366 1.00 0.00 C ATOM 508 CD1 LEU A 32 -15.260 -0.215 -32.350 1.00 0.00 C ATOM 509 CD2 LEU A 32 -15.047 0.317 -34.775 1.00 0.00 C ATOM 0 H LEU A 32 -17.881 3.519 -32.781 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.300 1.936 -31.077 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.057 1.528 -33.467 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.894 2.730 -33.990 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.050 1.329 -33.174 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.492 -0.980 -32.461 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.214 0.202 -31.344 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.241 -0.660 -32.514 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.286 -0.458 -34.864 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.028 -0.112 -34.981 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.841 1.112 -35.492 1.00 0.00 H new ATOM 521 N GLU A 33 -14.827 4.651 -32.213 1.00 0.00 N ATOM 522 CA GLU A 33 -13.655 5.514 -32.038 1.00 0.00 C ATOM 523 C GLU A 33 -13.452 5.881 -30.568 1.00 0.00 C ATOM 524 O GLU A 33 -12.342 5.796 -30.040 1.00 0.00 O ATOM 525 CB GLU A 33 -13.823 6.792 -32.852 1.00 0.00 C ATOM 526 CG GLU A 33 -13.971 6.571 -34.341 1.00 0.00 C ATOM 527 CD GLU A 33 -14.328 7.842 -35.069 1.00 0.00 C ATOM 528 OE1 GLU A 33 -15.508 8.019 -35.429 1.00 0.00 O ATOM 529 OE2 GLU A 33 -13.431 8.683 -35.277 1.00 0.00 O1- ATOM 0 H GLU A 33 -15.533 5.026 -32.847 1.00 0.00 H new ATOM 0 HA GLU A 33 -12.781 4.963 -32.385 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.700 7.327 -32.488 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.961 7.436 -32.677 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.039 6.173 -34.743 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.742 5.822 -34.521 1.00 0.00 H new ATOM 536 N GLN A 34 -14.536 6.271 -29.917 1.00 0.00 N ATOM 537 CA GLN A 34 -14.499 6.688 -28.518 1.00 0.00 C ATOM 538 C GLN A 34 -14.090 5.541 -27.599 1.00 0.00 C ATOM 539 O GLN A 34 -13.332 5.735 -26.644 1.00 0.00 O ATOM 540 CB GLN A 34 -15.862 7.227 -28.095 1.00 0.00 C ATOM 541 CG GLN A 34 -16.331 8.418 -28.911 1.00 0.00 C ATOM 542 CD GLN A 34 -15.426 9.620 -28.756 1.00 0.00 C ATOM 543 OE1 GLN A 34 -14.466 9.795 -29.510 1.00 0.00 O ATOM 544 NE2 GLN A 34 -15.721 10.455 -27.784 1.00 0.00 N ATOM 0 H GLN A 34 -15.464 6.309 -30.338 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.750 7.475 -28.428 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -16.600 6.429 -28.178 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -15.819 7.513 -27.044 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.379 8.137 -29.963 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -17.342 8.687 -28.606 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -16.524 10.274 -27.182 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.147 11.284 -27.632 1.00 0.00 H new ATOM 553 N VAL A 35 -14.573 4.347 -27.900 1.00 0.00 N ATOM 554 CA VAL A 35 -14.291 3.178 -27.080 1.00 0.00 C ATOM 555 C VAL A 35 -12.827 2.758 -27.197 1.00 0.00 C ATOM 556 O VAL A 35 -12.217 2.326 -26.217 1.00 0.00 O ATOM 557 CB VAL A 35 -15.229 2.001 -27.450 1.00 0.00 C ATOM 558 CG1 VAL A 35 -14.805 0.710 -26.766 1.00 0.00 C ATOM 559 CG2 VAL A 35 -16.655 2.345 -27.069 1.00 0.00 C ATOM 0 H VAL A 35 -15.165 4.160 -28.709 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.479 3.451 -26.042 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.164 1.843 -28.527 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.486 -0.093 -27.049 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.792 0.451 -27.073 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.833 0.845 -25.685 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.312 1.515 -27.331 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.711 2.528 -25.996 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.969 3.240 -27.606 1.00 0.00 H new ATOM 569 N LEU A 36 -12.258 2.925 -28.383 1.00 0.00 N ATOM 570 CA LEU A 36 -10.866 2.554 -28.621 1.00 0.00 C ATOM 571 C LEU A 36 -9.932 3.349 -27.713 1.00 0.00 C ATOM 572 O LEU A 36 -8.923 2.829 -27.240 1.00 0.00 O ATOM 573 CB LEU A 36 -10.492 2.788 -30.088 1.00 0.00 C ATOM 574 CG LEU A 36 -11.334 2.035 -31.122 1.00 0.00 C ATOM 575 CD1 LEU A 36 -10.931 2.434 -32.527 1.00 0.00 C ATOM 576 CD2 LEU A 36 -11.201 0.530 -30.938 1.00 0.00 C ATOM 0 H LEU A 36 -12.736 3.314 -29.195 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.755 1.494 -28.393 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.566 3.855 -30.296 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.448 2.508 -30.225 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.379 2.305 -30.970 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.540 1.889 -33.249 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.084 3.505 -32.659 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.879 2.195 -32.686 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.808 0.017 -31.684 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.157 0.240 -31.058 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.542 0.254 -29.940 1.00 0.00 H new ATOM 588 N GLU A 37 -10.292 4.600 -27.456 1.00 0.00 N ATOM 589 CA GLU A 37 -9.504 5.471 -26.588 1.00 0.00 C ATOM 590 C GLU A 37 -9.519 4.948 -25.150 1.00 0.00 C ATOM 591 O GLU A 37 -8.490 4.940 -24.468 1.00 0.00 O ATOM 592 CB GLU A 37 -10.065 6.896 -26.630 1.00 0.00 C ATOM 593 CG GLU A 37 -10.085 7.518 -28.020 1.00 0.00 C ATOM 594 CD GLU A 37 -8.709 7.916 -28.510 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.434 9.128 -28.584 1.00 0.00 O ATOM 596 OE2 GLU A 37 -7.897 7.023 -28.816 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.130 5.038 -27.838 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.474 5.480 -26.946 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.080 6.887 -26.234 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.471 7.528 -25.970 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.524 6.810 -28.723 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.729 8.397 -28.009 1.00 0.00 H new ATOM 603 N GLU A 38 -10.692 4.503 -24.703 1.00 0.00 N ATOM 604 CA GLU A 38 -10.855 3.966 -23.354 1.00 0.00 C ATOM 605 C GLU A 38 -10.088 2.653 -23.214 1.00 0.00 C ATOM 606 O GLU A 38 -9.411 2.418 -22.212 1.00 0.00 O ATOM 607 CB GLU A 38 -12.345 3.741 -23.054 1.00 0.00 C ATOM 608 CG GLU A 38 -12.641 3.232 -21.644 1.00 0.00 C ATOM 609 CD GLU A 38 -12.281 4.234 -20.566 1.00 0.00 C ATOM 610 OE1 GLU A 38 -12.801 5.366 -20.605 1.00 0.00 O ATOM 611 OE2 GLU A 38 -11.495 3.890 -19.660 1.00 0.00 O1- ATOM 0 H GLU A 38 -11.547 4.504 -25.259 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.455 4.684 -22.638 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.878 4.679 -23.207 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.743 3.027 -23.775 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.701 2.988 -21.567 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.088 2.308 -21.473 1.00 0.00 H new ATOM 618 N ILE A 39 -10.184 1.813 -24.240 1.00 0.00 N ATOM 619 CA ILE A 39 -9.503 0.527 -24.232 1.00 0.00 C ATOM 620 C ILE A 39 -7.991 0.718 -24.160 1.00 0.00 C ATOM 621 O ILE A 39 -7.323 0.086 -23.341 1.00 0.00 O ATOM 622 CB ILE A 39 -9.868 -0.337 -25.465 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.370 -0.642 -25.472 1.00 0.00 C ATOM 624 CG2 ILE A 39 -9.063 -1.635 -25.463 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.825 -1.464 -26.660 1.00 0.00 C ATOM 0 H ILE A 39 -10.725 2.001 -25.084 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.842 -0.005 -23.343 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.621 0.222 -26.367 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.627 -1.173 -24.556 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.922 0.298 -25.461 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.331 -2.231 -26.336 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.998 -1.403 -25.495 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.284 -2.199 -24.557 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.899 -1.638 -26.592 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.601 -0.926 -27.581 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.302 -2.421 -26.662 1.00 0.00 H new ATOM 637 N GLU A 40 -7.455 1.608 -25.003 1.00 0.00 N ATOM 638 CA GLU A 40 -6.023 1.905 -24.985 1.00 0.00 C ATOM 639 C GLU A 40 -5.574 2.381 -23.610 1.00 0.00 C ATOM 640 O GLU A 40 -4.492 2.013 -23.141 1.00 0.00 O ATOM 641 CB GLU A 40 -5.662 2.957 -26.039 1.00 0.00 C ATOM 642 CG GLU A 40 -5.692 2.445 -27.468 1.00 0.00 C ATOM 643 CD GLU A 40 -5.015 3.394 -28.434 1.00 0.00 C ATOM 644 OE1 GLU A 40 -3.846 3.145 -28.796 1.00 0.00 O ATOM 645 OE2 GLU A 40 -5.639 4.398 -28.824 1.00 0.00 O1- ATOM 0 H GLU A 40 -7.988 2.130 -25.699 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.501 0.978 -25.221 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.354 3.795 -25.951 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.665 3.342 -25.824 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.201 1.473 -27.513 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.727 2.294 -27.776 1.00 0.00 H new ATOM 652 N GLU A 41 -6.410 3.177 -22.956 1.00 0.00 N ATOM 653 CA GLU A 41 -6.096 3.677 -21.651 1.00 0.00 C ATOM 654 C GLU A 41 -6.028 2.539 -20.639 1.00 0.00 C ATOM 655 O GLU A 41 -5.098 2.473 -19.833 1.00 0.00 O ATOM 656 CB GLU A 41 -7.127 4.708 -21.222 1.00 0.00 C ATOM 657 CG GLU A 41 -6.849 5.289 -19.866 1.00 0.00 C ATOM 658 CD GLU A 41 -7.772 6.422 -19.514 1.00 0.00 C ATOM 659 OE1 GLU A 41 -7.614 7.512 -20.087 1.00 0.00 O ATOM 660 OE2 GLU A 41 -8.655 6.232 -18.649 1.00 0.00 O1- ATOM 0 H GLU A 41 -7.312 3.484 -23.322 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.118 4.156 -21.691 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.155 5.513 -21.957 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.114 4.246 -21.217 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.942 4.505 -19.115 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.819 5.643 -19.832 1.00 0.00 H new ATOM 667 N LEU A 42 -7.003 1.633 -20.690 1.00 0.00 N ATOM 668 CA LEU A 42 -7.032 0.484 -19.796 1.00 0.00 C ATOM 669 C LEU A 42 -5.819 -0.414 -20.010 1.00 0.00 C ATOM 670 O LEU A 42 -5.273 -0.957 -19.055 1.00 0.00 O ATOM 671 CB LEU A 42 -8.314 -0.330 -20.016 1.00 0.00 C ATOM 672 CG LEU A 42 -9.633 0.412 -19.787 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.811 -0.462 -20.185 1.00 0.00 C ATOM 674 CD2 LEU A 42 -9.760 0.840 -18.337 1.00 0.00 C ATOM 0 H LEU A 42 -7.784 1.676 -21.344 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.009 0.861 -18.773 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.308 -0.710 -21.038 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.288 -1.195 -19.354 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.636 1.305 -20.412 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.741 0.081 -20.016 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.730 -0.723 -21.240 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.808 -1.372 -19.585 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.704 1.366 -18.194 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.734 -0.040 -17.694 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.933 1.502 -18.079 1.00 0.00 H new ATOM 686 N ILE A 43 -5.397 -0.561 -21.264 1.00 0.00 N ATOM 687 CA ILE A 43 -4.253 -1.410 -21.587 1.00 0.00 C ATOM 688 C ILE A 43 -2.983 -0.858 -20.950 1.00 0.00 C ATOM 689 O ILE A 43 -2.235 -1.589 -20.292 1.00 0.00 O ATOM 690 CB ILE A 43 -4.040 -1.523 -23.120 1.00 0.00 C ATOM 691 CG1 ILE A 43 -5.251 -2.185 -23.786 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.765 -2.303 -23.430 1.00 0.00 C ATOM 693 CD1 ILE A 43 -5.164 -2.237 -25.300 1.00 0.00 C ATOM 0 H ILE A 43 -5.827 -0.106 -22.069 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.466 -2.402 -21.189 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.933 -0.517 -23.525 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.355 -3.200 -23.402 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.152 -1.642 -23.501 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.634 -2.371 -24.510 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.909 -1.790 -22.992 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.841 -3.306 -23.010 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.056 -2.719 -25.699 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.091 -1.224 -25.695 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.282 -2.806 -25.594 1.00 0.00 H new ATOM 705 N GLN A 44 -2.765 0.437 -21.122 1.00 0.00 N ATOM 706 CA GLN A 44 -1.595 1.098 -20.564 1.00 0.00 C ATOM 707 C GLN A 44 -1.650 1.085 -19.045 1.00 0.00 C ATOM 708 O GLN A 44 -0.659 0.810 -18.383 1.00 0.00 O ATOM 709 CB GLN A 44 -1.499 2.533 -21.081 1.00 0.00 C ATOM 710 CG GLN A 44 -1.329 2.629 -22.589 1.00 0.00 C ATOM 711 CD GLN A 44 -1.324 4.058 -23.093 1.00 0.00 C ATOM 712 OE1 GLN A 44 -1.966 4.943 -22.513 1.00 0.00 O ATOM 713 NE2 GLN A 44 -0.605 4.296 -24.174 1.00 0.00 N ATOM 0 H GLN A 44 -3.386 1.053 -21.646 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.706 0.553 -20.881 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.399 3.076 -20.790 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.657 3.029 -20.597 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.395 2.145 -22.876 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.135 2.080 -23.076 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.090 3.537 -24.621 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.564 5.238 -24.562 1.00 0.00 H new ATOM 722 N LYS A 45 -2.824 1.363 -18.510 1.00 0.00 N ATOM 723 CA LYS A 45 -3.044 1.392 -17.069 1.00 0.00 C ATOM 724 C LYS A 45 -2.830 0.007 -16.435 1.00 0.00 C ATOM 725 O LYS A 45 -2.324 -0.106 -15.322 1.00 0.00 O ATOM 726 CB LYS A 45 -4.453 1.907 -16.784 1.00 0.00 C ATOM 727 CG LYS A 45 -4.810 2.005 -15.315 1.00 0.00 C ATOM 728 CD LYS A 45 -6.136 2.722 -15.124 1.00 0.00 C ATOM 729 CE LYS A 45 -7.272 2.014 -15.841 1.00 0.00 C ATOM 730 NZ LYS A 45 -8.566 2.698 -15.622 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.656 1.576 -19.060 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.314 2.065 -16.619 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.563 2.893 -17.236 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.171 1.250 -17.275 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.867 1.006 -14.883 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.024 2.538 -14.781 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.363 2.787 -14.060 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.053 3.743 -15.495 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.058 1.972 -16.909 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.340 0.985 -15.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.338 2.109 -15.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.709 2.852 -14.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.562 3.615 -16.113 1.00 0.00 H new ATOM 744 N HIS A 46 -3.206 -1.034 -17.158 1.00 0.00 N ATOM 745 CA HIS A 46 -3.067 -2.405 -16.676 1.00 0.00 C ATOM 746 C HIS A 46 -1.607 -2.851 -16.783 1.00 0.00 C ATOM 747 O HIS A 46 -1.074 -3.490 -15.881 1.00 0.00 O ATOM 748 CB HIS A 46 -4.005 -3.322 -17.487 1.00 0.00 C ATOM 749 CG HIS A 46 -3.915 -4.804 -17.210 1.00 0.00 C ATOM 750 ND1 HIS A 46 -4.467 -5.419 -16.097 1.00 0.00 N ATOM 751 CD2 HIS A 46 -3.412 -5.799 -17.969 1.00 0.00 C ATOM 752 CE1 HIS A 46 -4.305 -6.729 -16.199 1.00 0.00 C ATOM 753 NE2 HIS A 46 -3.666 -6.988 -17.331 1.00 0.00 N ATOM 0 H HIS A 46 -3.614 -0.958 -18.090 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.351 -2.465 -15.625 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.032 -3.004 -17.305 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.805 -3.162 -18.546 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.925 -4.939 -15.323 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.900 -5.681 -18.912 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.638 -7.463 -15.480 1.00 0.00 H new ATOM 761 N ARG A 47 -0.969 -2.496 -17.894 1.00 0.00 N ATOM 762 CA ARG A 47 0.437 -2.827 -18.120 1.00 0.00 C ATOM 763 C ARG A 47 1.350 -2.038 -17.171 1.00 0.00 C ATOM 764 O ARG A 47 2.388 -2.533 -16.743 1.00 0.00 O ATOM 765 CB ARG A 47 0.830 -2.526 -19.566 1.00 0.00 C ATOM 766 CG ARG A 47 2.222 -3.012 -19.931 1.00 0.00 C ATOM 767 CD ARG A 47 2.884 -2.095 -20.947 1.00 0.00 C ATOM 768 NE ARG A 47 3.081 -0.752 -20.400 1.00 0.00 N ATOM 769 CZ ARG A 47 3.922 -0.467 -19.399 1.00 0.00 C ATOM 770 NH1 ARG A 47 4.731 -1.408 -18.914 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 3.978 0.761 -18.903 1.00 0.00 N ATOM 0 H ARG A 47 -1.404 -1.977 -18.656 1.00 0.00 H new ATOM 0 HA ARG A 47 0.562 -3.892 -17.923 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.105 -2.990 -20.235 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.774 -1.450 -19.733 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.837 -3.065 -19.033 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.161 -4.022 -20.336 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.845 -2.513 -21.246 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.268 -2.038 -21.845 1.00 0.00 H new ATOM 0 HE ARG A 47 2.544 0.014 -20.807 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.711 -2.350 -19.306 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.371 -1.187 -18.151 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.379 1.493 -19.284 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.620 0.974 -18.140 1.00 0.00 H new ATOM 785 N GLN A 48 0.947 -0.813 -16.849 1.00 0.00 N ATOM 786 CA GLN A 48 1.719 0.061 -15.958 1.00 0.00 C ATOM 787 C GLN A 48 1.911 -0.581 -14.593 1.00 0.00 C ATOM 788 O GLN A 48 2.952 -0.411 -13.951 1.00 0.00 O ATOM 789 CB GLN A 48 1.015 1.427 -15.825 1.00 0.00 C ATOM 790 CG GLN A 48 1.634 2.384 -14.805 1.00 0.00 C ATOM 791 CD GLN A 48 0.933 2.350 -13.449 1.00 0.00 C ATOM 792 OE1 GLN A 48 1.305 1.591 -12.551 1.00 0.00 O ATOM 793 NE2 GLN A 48 -0.088 3.171 -13.298 1.00 0.00 N ATOM 0 H GLN A 48 0.082 -0.396 -17.193 1.00 0.00 H new ATOM 0 HA GLN A 48 2.707 0.213 -16.393 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.014 1.913 -16.801 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.026 1.256 -15.553 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.686 2.131 -14.670 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.599 3.399 -15.200 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.367 3.785 -14.064 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.599 3.192 -12.415 1.00 0.00 H new ATOM 802 N LEU A 49 0.920 -1.341 -14.167 1.00 0.00 N ATOM 803 CA LEU A 49 0.957 -1.999 -12.878 1.00 0.00 C ATOM 804 C LEU A 49 2.046 -3.071 -12.856 1.00 0.00 C ATOM 805 O LEU A 49 2.620 -3.375 -11.803 1.00 0.00 O ATOM 806 CB LEU A 49 -0.408 -2.612 -12.581 1.00 0.00 C ATOM 807 CG LEU A 49 -1.566 -1.611 -12.488 1.00 0.00 C ATOM 808 CD1 LEU A 49 -2.877 -2.327 -12.246 1.00 0.00 C ATOM 809 CD2 LEU A 49 -1.310 -0.578 -11.400 1.00 0.00 C ATOM 0 H LEU A 49 0.071 -1.518 -14.703 1.00 0.00 H new ATOM 0 HA LEU A 49 1.192 -1.265 -12.107 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.639 -3.339 -13.359 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.346 -3.160 -11.641 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.633 -1.087 -13.442 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.684 -1.597 -12.184 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.073 -3.015 -13.068 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.820 -2.885 -11.312 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.147 0.119 -11.356 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.205 -1.081 -10.438 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.394 -0.032 -11.625 1.00 0.00 H new ATOM 821 N PHE A 50 2.325 -3.615 -14.032 1.00 0.00 N ATOM 822 CA PHE A 50 3.329 -4.656 -14.222 1.00 0.00 C ATOM 823 C PHE A 50 4.752 -4.098 -14.062 1.00 0.00 C ATOM 824 O PHE A 50 5.669 -4.820 -13.688 1.00 0.00 O ATOM 825 CB PHE A 50 3.156 -5.305 -15.605 1.00 0.00 C ATOM 826 CG PHE A 50 4.111 -6.431 -15.888 1.00 0.00 C ATOM 827 CD1 PHE A 50 3.914 -7.677 -15.324 1.00 0.00 C ATOM 828 CD2 PHE A 50 5.201 -6.243 -16.724 1.00 0.00 C ATOM 829 CE1 PHE A 50 4.784 -8.716 -15.583 1.00 0.00 C ATOM 830 CE2 PHE A 50 6.076 -7.278 -16.988 1.00 0.00 C ATOM 831 CZ PHE A 50 5.867 -8.517 -16.416 1.00 0.00 C ATOM 0 H PHE A 50 1.854 -3.343 -14.895 1.00 0.00 H new ATOM 0 HA PHE A 50 3.184 -5.414 -13.452 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.136 -5.680 -15.692 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.280 -4.539 -16.370 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.068 -7.840 -14.672 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.368 -5.275 -17.174 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.618 -9.684 -15.134 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.922 -7.119 -17.640 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.549 -9.329 -16.620 1.00 0.00 H new ATOM 841 N ASP A 51 4.928 -2.807 -14.343 1.00 0.00 N ATOM 842 CA ASP A 51 6.262 -2.183 -14.269 1.00 0.00 C ATOM 843 C ASP A 51 6.854 -2.317 -12.873 1.00 0.00 C ATOM 844 O ASP A 51 8.048 -2.566 -12.715 1.00 0.00 O ATOM 845 CB ASP A 51 6.208 -0.694 -14.649 1.00 0.00 C ATOM 846 CG ASP A 51 5.903 -0.441 -16.110 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.566 -1.045 -16.982 1.00 0.00 O ATOM 848 OD2 ASP A 51 5.014 0.381 -16.399 1.00 0.00 O1- ATOM 0 H ASP A 51 4.178 -2.174 -14.621 1.00 0.00 H new ATOM 0 HA ASP A 51 6.896 -2.709 -14.982 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.450 -0.202 -14.040 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.164 -0.232 -14.403 1.00 0.00 H new ATOM 853 N ASN A 52 6.007 -2.172 -11.870 1.00 0.00 N ATOM 854 CA ASN A 52 6.444 -2.248 -10.476 1.00 0.00 C ATOM 855 C ASN A 52 6.139 -3.620 -9.873 1.00 0.00 C ATOM 856 O ASN A 52 6.158 -3.790 -8.654 1.00 0.00 O ATOM 857 CB ASN A 52 5.773 -1.144 -9.648 1.00 0.00 C ATOM 858 CG ASN A 52 6.125 0.253 -10.139 1.00 0.00 C ATOM 859 OD1 ASN A 52 5.479 0.783 -11.042 1.00 0.00 O ATOM 860 ND2 ASN A 52 7.127 0.862 -9.543 1.00 0.00 N ATOM 0 H ASN A 52 5.009 -2.000 -11.989 1.00 0.00 H new ATOM 0 HA ASN A 52 7.524 -2.103 -10.454 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.692 -1.275 -9.683 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.073 -1.245 -8.605 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.391 1.806 -9.826 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.640 0.391 -8.798 1.00 0.00 H new ATOM 867 N ARG A 53 5.895 -4.596 -10.736 1.00 0.00 N ATOM 868 CA ARG A 53 5.577 -5.969 -10.327 1.00 0.00 C ATOM 869 C ARG A 53 5.886 -6.917 -11.466 1.00 0.00 C ATOM 870 O ARG A 53 5.012 -7.254 -12.257 1.00 0.00 O ATOM 871 CB ARG A 53 4.101 -6.117 -9.911 1.00 0.00 C ATOM 872 CG ARG A 53 3.808 -5.757 -8.459 1.00 0.00 C ATOM 873 CD ARG A 53 4.537 -6.687 -7.497 1.00 0.00 C ATOM 874 NE ARG A 53 4.113 -6.484 -6.109 1.00 0.00 N ATOM 875 CZ ARG A 53 4.212 -7.412 -5.147 1.00 0.00 C ATOM 876 NH1 ARG A 53 4.794 -8.577 -5.398 1.00 0.00 N1+ ATOM 877 NH2 ARG A 53 3.756 -7.155 -3.927 1.00 0.00 N ATOM 0 H ARG A 53 5.911 -4.463 -11.747 1.00 0.00 H new ATOM 0 HA ARG A 53 6.190 -6.212 -9.459 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.491 -5.486 -10.557 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.790 -7.147 -10.085 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.110 -4.727 -8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.735 -5.813 -8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.353 -7.722 -7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.611 -6.520 -7.576 1.00 0.00 H new ATOM 0 HE ARG A 53 3.717 -5.578 -5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.169 -8.770 -6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.867 -9.280 -4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.330 -6.251 -3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.831 -7.861 -3.195 1.00 0.00 H new ATOM 891 N GLN A 54 7.138 -7.322 -11.557 1.00 0.00 N ATOM 892 CA GLN A 54 7.588 -8.169 -12.649 1.00 0.00 C ATOM 893 C GLN A 54 7.065 -9.596 -12.530 1.00 0.00 C ATOM 894 O GLN A 54 6.854 -10.256 -13.543 1.00 0.00 O ATOM 895 CB GLN A 54 9.113 -8.160 -12.743 1.00 0.00 C ATOM 896 CG GLN A 54 9.691 -6.788 -13.060 1.00 0.00 C ATOM 897 CD GLN A 54 11.198 -6.803 -13.216 1.00 0.00 C ATOM 898 OE1 GLN A 54 11.893 -7.609 -12.595 1.00 0.00 O ATOM 899 NE2 GLN A 54 11.713 -5.914 -14.043 1.00 0.00 N ATOM 0 H GLN A 54 7.866 -7.078 -10.885 1.00 0.00 H new ATOM 0 HA GLN A 54 7.175 -7.753 -13.568 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.530 -8.513 -11.800 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.426 -8.865 -13.513 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.240 -6.413 -13.979 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.420 -6.093 -12.265 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.102 -5.264 -14.538 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.722 -5.876 -14.187 1.00 0.00 H new ATOM 908 N GLU A 55 6.940 -10.091 -11.289 1.00 0.00 N ATOM 909 CA GLU A 55 6.384 -11.430 -11.008 1.00 0.00 C ATOM 910 C GLU A 55 5.226 -11.804 -11.933 1.00 0.00 C ATOM 911 O GLU A 55 4.115 -11.287 -11.807 1.00 0.00 O ATOM 912 CB GLU A 55 5.914 -11.535 -9.552 1.00 0.00 C ATOM 913 CG GLU A 55 7.000 -11.291 -8.518 1.00 0.00 C ATOM 914 CD GLU A 55 7.210 -9.819 -8.230 1.00 0.00 C ATOM 915 OE1 GLU A 55 7.983 -9.168 -8.961 1.00 0.00 O ATOM 916 OE2 GLU A 55 6.598 -9.309 -7.269 1.00 0.00 O1- ATOM 0 H GLU A 55 7.220 -9.579 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 55 7.197 -12.132 -11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.109 -10.817 -9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.493 -12.527 -9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.738 -11.805 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.936 -11.726 -8.870 1.00 0.00 H new ATOM 923 N ALA A 56 5.500 -12.713 -12.846 1.00 0.00 N ATOM 924 CA ALA A 56 4.510 -13.195 -13.775 1.00 0.00 C ATOM 925 C ALA A 56 4.453 -14.705 -13.712 1.00 0.00 C ATOM 926 O ALA A 56 5.456 -15.380 -13.974 1.00 0.00 O ATOM 927 CB ALA A 56 4.837 -12.734 -15.189 1.00 0.00 C ATOM 0 H ALA A 56 6.420 -13.137 -12.961 1.00 0.00 H new ATOM 0 HA ALA A 56 3.536 -12.788 -13.502 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.079 -13.107 -15.878 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.853 -11.645 -15.222 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.814 -13.120 -15.481 1.00 0.00 H new ATOM 933 N ALA A 57 3.290 -15.234 -13.349 1.00 0.00 N ATOM 934 CA ALA A 57 3.097 -16.679 -13.230 1.00 0.00 C ATOM 935 C ALA A 57 3.392 -17.384 -14.547 1.00 0.00 C ATOM 936 O ALA A 57 3.915 -18.501 -14.566 1.00 0.00 O ATOM 937 CB ALA A 57 1.680 -16.987 -12.766 1.00 0.00 C ATOM 0 H ALA A 57 2.461 -14.682 -13.130 1.00 0.00 H new ATOM 0 HA ALA A 57 3.799 -17.054 -12.485 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.551 -18.066 -12.682 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.507 -16.524 -11.795 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.966 -16.592 -13.489 1.00 0.00 H new ATOM 943 N ASP A 58 3.068 -16.722 -15.640 1.00 0.00 N ATOM 944 CA ASP A 58 3.303 -17.275 -16.958 1.00 0.00 C ATOM 945 C ASP A 58 3.726 -16.185 -17.926 1.00 0.00 C ATOM 946 O ASP A 58 3.022 -15.190 -18.099 1.00 0.00 O ATOM 947 CB ASP A 58 2.056 -17.989 -17.472 1.00 0.00 C ATOM 948 CG ASP A 58 2.318 -18.732 -18.757 1.00 0.00 C ATOM 949 OD1 ASP A 58 2.767 -19.899 -18.694 1.00 0.00 O ATOM 950 OD2 ASP A 58 2.092 -18.164 -19.825 1.00 0.00 O1- ATOM 0 H ASP A 58 2.639 -15.796 -15.640 1.00 0.00 H new ATOM 0 HA ASP A 58 4.110 -18.003 -16.884 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.701 -18.688 -16.715 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.261 -17.260 -17.630 1.00 0.00 H new ATOM 955 N THR A 59 4.881 -16.365 -18.542 1.00 0.00 N ATOM 956 CA THR A 59 5.408 -15.387 -19.473 1.00 0.00 C ATOM 957 C THR A 59 4.741 -15.487 -20.844 1.00 0.00 C ATOM 958 O THR A 59 4.672 -14.502 -21.578 1.00 0.00 O ATOM 959 CB THR A 59 6.933 -15.523 -19.622 1.00 0.00 C ATOM 960 OG1 THR A 59 7.278 -16.894 -19.851 1.00 0.00 O ATOM 961 CG2 THR A 59 7.645 -15.019 -18.375 1.00 0.00 C ATOM 0 H THR A 59 5.474 -17.185 -18.412 1.00 0.00 H new ATOM 0 HA THR A 59 5.181 -14.406 -19.056 1.00 0.00 H new ATOM 0 HB THR A 59 7.251 -14.919 -20.472 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.250 -16.975 -19.947 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.722 -15.125 -18.503 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.400 -13.969 -18.216 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.323 -15.602 -17.512 1.00 0.00 H new ATOM 969 N GLU A 60 4.234 -16.671 -21.181 1.00 0.00 N ATOM 970 CA GLU A 60 3.563 -16.873 -22.461 1.00 0.00 C ATOM 971 C GLU A 60 2.271 -16.068 -22.501 1.00 0.00 C ATOM 972 O GLU A 60 1.896 -15.522 -23.539 1.00 0.00 O ATOM 973 CB GLU A 60 3.278 -18.357 -22.701 1.00 0.00 C ATOM 974 CG GLU A 60 2.697 -18.659 -24.073 1.00 0.00 C ATOM 975 CD GLU A 60 2.426 -20.129 -24.278 1.00 0.00 C ATOM 976 OE1 GLU A 60 3.398 -20.913 -24.357 1.00 0.00 O ATOM 977 OE2 GLU A 60 1.247 -20.514 -24.380 1.00 0.00 O1- ATOM 0 H GLU A 60 4.275 -17.500 -20.588 1.00 0.00 H new ATOM 0 HA GLU A 60 4.222 -16.526 -23.257 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.204 -18.919 -22.578 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.585 -18.712 -21.938 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.769 -18.101 -24.201 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.388 -18.310 -24.841 1.00 0.00 H new ATOM 984 N ALA A 61 1.607 -15.985 -21.356 1.00 0.00 N ATOM 985 CA ALA A 61 0.395 -15.195 -21.228 1.00 0.00 C ATOM 986 C ALA A 61 0.701 -13.732 -21.512 1.00 0.00 C ATOM 987 O ALA A 61 -0.071 -13.042 -22.171 1.00 0.00 O ATOM 988 CB ALA A 61 -0.200 -15.355 -19.836 1.00 0.00 C ATOM 0 H ALA A 61 1.891 -16.459 -20.499 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.337 -15.550 -21.954 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.108 -14.756 -19.757 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.441 -16.404 -19.662 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.522 -15.020 -19.091 1.00 0.00 H new ATOM 994 N ALA A 62 1.844 -13.265 -21.013 1.00 0.00 N ATOM 995 CA ALA A 62 2.292 -11.905 -21.269 1.00 0.00 C ATOM 996 C ALA A 62 2.608 -11.721 -22.750 1.00 0.00 C ATOM 997 O ALA A 62 2.345 -10.667 -23.324 1.00 0.00 O ATOM 998 CB ALA A 62 3.509 -11.574 -20.415 1.00 0.00 C ATOM 0 H ALA A 62 2.475 -13.813 -20.428 1.00 0.00 H new ATOM 0 HA ALA A 62 1.489 -11.219 -21.000 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.830 -10.553 -20.620 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.250 -11.668 -19.360 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.319 -12.264 -20.653 1.00 0.00 H new ATOM 1004 N LYS A 63 3.169 -12.762 -23.365 1.00 0.00 N ATOM 1005 CA LYS A 63 3.470 -12.743 -24.795 1.00 0.00 C ATOM 1006 C LYS A 63 2.188 -12.613 -25.602 1.00 0.00 C ATOM 1007 O LYS A 63 2.122 -11.847 -26.569 1.00 0.00 O ATOM 1008 CB LYS A 63 4.226 -14.006 -25.209 1.00 0.00 C ATOM 1009 CG LYS A 63 5.609 -14.122 -24.597 1.00 0.00 C ATOM 1010 CD LYS A 63 6.297 -15.405 -25.021 1.00 0.00 C ATOM 1011 CE LYS A 63 7.702 -15.492 -24.453 1.00 0.00 C ATOM 1012 NZ LYS A 63 8.567 -14.393 -24.948 1.00 0.00 N1+ ATOM 0 H LYS A 63 3.424 -13.630 -22.894 1.00 0.00 H new ATOM 0 HA LYS A 63 4.105 -11.881 -24.998 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.639 -14.879 -24.924 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.317 -14.024 -26.295 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.214 -13.267 -24.897 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.531 -14.091 -23.510 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.713 -16.262 -24.685 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.339 -15.455 -26.109 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.657 -15.456 -23.365 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.144 -16.451 -24.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.563 -14.620 -24.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.433 -14.281 -25.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.312 -13.507 -24.466 1.00 0.00 H new ATOM 1026 N GLN A 64 1.165 -13.357 -25.200 1.00 0.00 N ATOM 1027 CA GLN A 64 -0.135 -13.267 -25.839 1.00 0.00 C ATOM 1028 C GLN A 64 -0.746 -11.905 -25.553 1.00 0.00 C ATOM 1029 O GLN A 64 -1.488 -11.362 -26.364 1.00 0.00 O ATOM 1030 CB GLN A 64 -1.066 -14.371 -25.339 1.00 0.00 C ATOM 1031 CG GLN A 64 -0.595 -15.777 -25.664 1.00 0.00 C ATOM 1032 CD GLN A 64 -1.553 -16.837 -25.160 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -2.237 -16.648 -24.158 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -1.610 -17.958 -25.851 1.00 0.00 N ATOM 0 H GLN A 64 1.214 -14.029 -24.434 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.005 -13.393 -26.914 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.175 -14.277 -24.259 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.054 -14.222 -25.773 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.480 -15.879 -26.743 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.388 -15.939 -25.222 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.026 -18.077 -26.678 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.239 -18.706 -25.558 1.00 0.00 H new ATOM 1043 N GLY A 65 -0.406 -11.357 -24.391 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.891 -10.050 -24.010 1.00 0.00 C ATOM 1045 C GLY A 65 -0.342 -8.981 -24.921 1.00 0.00 C ATOM 1046 O GLY A 65 -1.090 -8.158 -25.442 1.00 0.00 O ATOM 0 H GLY A 65 0.202 -11.802 -23.704 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.980 -10.038 -24.045 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.603 -9.838 -22.980 1.00 0.00 H new ATOM 1050 N ASP A 66 0.972 -9.012 -25.135 1.00 0.00 N ATOM 1051 CA ASP A 66 1.623 -8.081 -26.052 1.00 0.00 C ATOM 1052 C ASP A 66 1.093 -8.259 -27.459 1.00 0.00 C ATOM 1053 O ASP A 66 0.893 -7.282 -28.189 1.00 0.00 O ATOM 1054 CB ASP A 66 3.146 -8.252 -26.039 1.00 0.00 C ATOM 1055 CG ASP A 66 3.812 -7.468 -24.931 1.00 0.00 C ATOM 1056 OD1 ASP A 66 3.700 -6.223 -24.934 1.00 0.00 O ATOM 1057 OD2 ASP A 66 4.471 -8.081 -24.067 1.00 0.00 O1- ATOM 0 H ASP A 66 1.606 -9.672 -24.685 1.00 0.00 H new ATOM 0 HA ASP A 66 1.393 -7.072 -25.711 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.388 -9.309 -25.927 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.552 -7.933 -26.999 1.00 0.00 H new ATOM 1062 N GLN A 67 0.856 -9.511 -27.837 1.00 0.00 N ATOM 1063 CA GLN A 67 0.304 -9.825 -29.140 1.00 0.00 C ATOM 1064 C GLN A 67 -1.096 -9.233 -29.272 1.00 0.00 C ATOM 1065 O GLN A 67 -1.430 -8.637 -30.291 1.00 0.00 O ATOM 1066 CB GLN A 67 0.251 -11.345 -29.335 1.00 0.00 C ATOM 1067 CG GLN A 67 -0.444 -11.790 -30.615 1.00 0.00 C ATOM 1068 CD GLN A 67 0.376 -11.542 -31.872 1.00 0.00 C ATOM 1069 OE1 GLN A 67 1.200 -10.623 -31.934 1.00 0.00 O ATOM 1070 NE2 GLN A 67 0.140 -12.349 -32.887 1.00 0.00 N ATOM 0 H GLN A 67 1.041 -10.326 -27.252 1.00 0.00 H new ATOM 0 HA GLN A 67 0.944 -9.392 -29.908 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.269 -11.735 -29.334 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.262 -11.791 -28.483 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.672 -12.854 -30.544 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.396 -11.266 -30.703 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.549 -13.096 -32.795 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.646 -12.227 -33.764 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.895 -9.378 -28.217 1.00 0.00 N ATOM 1080 CA TRP A 68 -3.257 -8.862 -28.194 1.00 0.00 C ATOM 1081 C TRP A 68 -3.252 -7.345 -28.354 1.00 0.00 C ATOM 1082 O TRP A 68 -4.080 -6.782 -29.069 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.953 -9.260 -26.882 1.00 0.00 C ATOM 1084 CG TRP A 68 -5.426 -8.976 -26.867 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -6.412 -9.799 -27.318 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -6.081 -7.796 -26.379 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -7.636 -9.208 -27.152 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -7.463 -7.977 -26.578 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -5.634 -6.605 -25.800 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -8.401 -7.015 -26.217 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -6.567 -5.651 -25.442 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.936 -5.860 -25.651 1.00 0.00 C ATOM 0 H TRP A 68 -1.616 -9.854 -27.359 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.809 -9.296 -29.027 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.796 -10.324 -26.707 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -3.482 -8.728 -26.056 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -6.252 -10.778 -27.745 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -8.532 -9.619 -27.414 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.580 -6.434 -25.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -9.457 -7.174 -26.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -6.234 -4.727 -24.993 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -8.639 -5.094 -25.359 1.00 0.00 H new ATOM 1103 N VAL A 69 -2.294 -6.693 -27.704 1.00 0.00 N ATOM 1104 CA VAL A 69 -2.171 -5.246 -27.785 1.00 0.00 C ATOM 1105 C VAL A 69 -1.830 -4.832 -29.212 1.00 0.00 C ATOM 1106 O VAL A 69 -2.379 -3.860 -29.739 1.00 0.00 O ATOM 1107 CB VAL A 69 -1.095 -4.701 -26.813 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.972 -3.186 -26.933 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -1.421 -5.091 -25.381 1.00 0.00 C ATOM 0 H VAL A 69 -1.593 -7.145 -27.116 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.130 -4.819 -27.494 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.138 -5.146 -27.086 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.210 -2.827 -26.241 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.689 -2.924 -27.952 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.929 -2.723 -26.692 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.654 -4.699 -24.713 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.390 -4.677 -25.103 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.453 -6.177 -25.298 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.942 -5.593 -29.849 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.559 -5.327 -31.208 1.00 0.00 C ATOM 1121 C GLN A 70 -1.732 -5.585 -32.146 1.00 0.00 C ATOM 1122 O GLN A 70 -1.963 -4.826 -33.087 1.00 0.00 O ATOM 1123 CB GLN A 70 0.631 -6.188 -31.611 1.00 0.00 C ATOM 1124 CG GLN A 70 1.042 -5.974 -33.046 1.00 0.00 C ATOM 1125 CD GLN A 70 2.221 -6.820 -33.476 1.00 0.00 C ATOM 1126 OE1 GLN A 70 2.994 -6.421 -34.345 1.00 0.00 O ATOM 1127 NE2 GLN A 70 2.361 -7.992 -32.891 1.00 0.00 N ATOM 0 H GLN A 70 -0.480 -6.400 -29.431 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.268 -4.279 -31.283 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.475 -5.964 -30.958 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.382 -7.239 -31.461 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.193 -6.194 -33.694 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.289 -4.922 -33.190 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.698 -8.287 -32.174 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.132 -8.605 -33.155 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.476 -6.656 -31.878 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.643 -6.996 -32.676 1.00 0.00 C ATOM 1138 C LEU A 71 -4.670 -5.888 -32.582 1.00 0.00 C ATOM 1139 O LEU A 71 -5.301 -5.533 -33.568 1.00 0.00 O ATOM 1140 CB LEU A 71 -4.260 -8.314 -32.198 1.00 0.00 C ATOM 1141 CG LEU A 71 -3.429 -9.577 -32.427 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -4.058 -10.758 -31.707 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -3.306 -9.870 -33.913 1.00 0.00 C ATOM 0 H LEU A 71 -2.288 -7.302 -31.112 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.330 -7.114 -33.713 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.464 -8.228 -31.131 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.221 -8.442 -32.697 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.430 -9.413 -32.023 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.457 -11.651 -31.878 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.103 -10.550 -30.638 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.066 -10.921 -32.088 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.712 -10.772 -34.058 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.299 -10.017 -34.338 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.819 -9.031 -34.410 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.816 -5.335 -31.385 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.741 -4.243 -31.154 1.00 0.00 C ATOM 1157 C PHE A 72 -5.312 -3.008 -31.940 1.00 0.00 C ATOM 1158 O PHE A 72 -6.143 -2.311 -32.523 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.837 -3.916 -29.661 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.811 -2.817 -29.360 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -8.170 -3.075 -29.314 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -6.370 -1.523 -29.133 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -9.070 -2.065 -29.050 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -7.265 -0.510 -28.866 1.00 0.00 C ATOM 1165 CZ PHE A 72 -8.616 -0.780 -28.825 1.00 0.00 C ATOM 0 H PHE A 72 -4.300 -5.630 -30.556 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.727 -4.554 -31.500 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.132 -4.813 -29.117 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.851 -3.630 -29.294 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.529 -4.079 -29.487 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.313 -1.306 -29.166 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.128 -2.278 -29.019 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.908 0.494 -28.689 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.319 0.013 -28.617 1.00 0.00 H new ATOM 1175 N GLN A 73 -4.011 -2.745 -31.957 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.477 -1.618 -32.705 1.00 0.00 C ATOM 1177 C GLN A 73 -3.697 -1.810 -34.196 1.00 0.00 C ATOM 1178 O GLN A 73 -4.019 -0.866 -34.907 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.996 -1.407 -32.396 1.00 0.00 C ATOM 1180 CG GLN A 73 -1.746 -0.866 -30.998 1.00 0.00 C ATOM 1181 CD GLN A 73 -2.393 0.491 -30.781 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -2.527 1.288 -31.713 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -2.801 0.762 -29.558 1.00 0.00 N ATOM 0 H GLN A 73 -3.310 -3.296 -31.462 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.014 -0.722 -32.394 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.469 -2.354 -32.511 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.574 -0.717 -33.126 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.133 -1.572 -30.263 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.672 -0.785 -30.829 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.672 0.076 -28.814 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.246 1.657 -29.355 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.542 -3.044 -34.663 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.786 -3.359 -36.064 1.00 0.00 C ATOM 1194 C ARG A 74 -5.276 -3.236 -36.356 1.00 0.00 C ATOM 1195 O ARG A 74 -5.682 -2.794 -37.435 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.294 -4.772 -36.403 1.00 0.00 C ATOM 1197 CG ARG A 74 -1.795 -4.963 -36.234 1.00 0.00 C ATOM 1198 CD ARG A 74 -1.357 -6.352 -36.672 1.00 0.00 C ATOM 1199 NE ARG A 74 0.075 -6.577 -36.444 1.00 0.00 N ATOM 1200 CZ ARG A 74 0.793 -7.537 -37.041 1.00 0.00 C ATOM 1201 NH1 ARG A 74 0.226 -8.337 -37.939 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 2.083 -7.687 -36.747 1.00 0.00 N ATOM 0 H ARG A 74 -3.250 -3.839 -34.094 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.233 -2.654 -36.684 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.815 -5.489 -35.768 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.565 -5.002 -37.433 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.263 -4.212 -36.818 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.523 -4.807 -35.190 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.932 -7.101 -36.128 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.580 -6.485 -37.731 1.00 0.00 H new ATOM 0 HE ARG A 74 0.555 -5.962 -35.787 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.759 -8.221 -38.176 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.776 -9.067 -38.391 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.526 -7.070 -36.066 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.628 -8.419 -37.203 1.00 0.00 H new ATOM 1216 N PHE A 75 -6.082 -3.632 -35.377 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.527 -3.538 -35.471 1.00 0.00 C ATOM 1218 C PHE A 75 -7.937 -2.080 -35.641 1.00 0.00 C ATOM 1219 O PHE A 75 -8.702 -1.746 -36.542 1.00 0.00 O ATOM 1220 CB PHE A 75 -8.172 -4.147 -34.213 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.678 -4.151 -34.210 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.384 -5.020 -35.025 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -10.385 -3.297 -33.379 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.765 -5.038 -35.013 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.767 -3.309 -33.364 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.458 -4.181 -34.182 1.00 0.00 C ATOM 0 H PHE A 75 -5.748 -4.027 -34.498 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.874 -4.098 -36.340 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.820 -5.173 -34.103 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.823 -3.595 -33.340 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.848 -5.692 -35.678 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.850 -2.614 -32.736 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.302 -5.722 -35.653 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.306 -2.637 -32.713 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.538 -4.192 -34.172 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.402 -1.209 -34.791 1.00 0.00 N ATOM 1237 CA ARG A 76 -7.688 0.211 -34.906 1.00 0.00 C ATOM 1238 C ARG A 76 -7.123 0.793 -36.189 1.00 0.00 C ATOM 1239 O ARG A 76 -7.743 1.651 -36.801 1.00 0.00 O ATOM 1240 CB ARG A 76 -7.193 1.023 -33.717 1.00 0.00 C ATOM 1241 CG ARG A 76 -7.506 2.499 -33.896 1.00 0.00 C ATOM 1242 CD ARG A 76 -7.078 3.346 -32.734 1.00 0.00 C ATOM 1243 NE ARG A 76 -7.487 4.739 -32.934 1.00 0.00 N ATOM 1244 CZ ARG A 76 -7.757 5.589 -31.941 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -7.641 5.198 -30.679 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -8.135 6.830 -32.210 1.00 0.00 N ATOM 0 H ARG A 76 -6.776 -1.460 -34.025 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.775 0.285 -34.924 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.660 0.657 -32.803 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.118 0.887 -33.602 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.014 2.860 -34.799 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.579 2.619 -34.048 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.518 2.960 -31.814 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.996 3.292 -32.617 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.571 5.080 -33.892 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.345 4.246 -30.465 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.848 5.850 -29.922 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.220 7.139 -33.178 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.341 7.477 -31.449 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.957 0.309 -36.603 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.303 0.826 -37.796 1.00 0.00 C ATOM 1262 C GLU A 77 -6.200 0.633 -38.994 1.00 0.00 C ATOM 1263 O GLU A 77 -6.316 1.509 -39.839 1.00 0.00 O ATOM 1264 CB GLU A 77 -3.972 0.111 -38.028 1.00 0.00 C ATOM 1265 CG GLU A 77 -2.755 1.016 -37.954 1.00 0.00 C ATOM 1266 CD GLU A 77 -2.777 2.117 -38.993 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -2.714 1.805 -40.204 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -2.823 3.296 -38.609 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.448 -0.438 -36.131 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.109 1.889 -37.655 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.866 -0.683 -37.288 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.996 -0.367 -39.007 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.699 1.461 -36.961 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.854 0.417 -38.086 1.00 0.00 H new ATOM 1275 N ALA A 78 -6.864 -0.506 -39.045 1.00 0.00 N ATOM 1276 CA ALA A 78 -7.783 -0.783 -40.117 1.00 0.00 C ATOM 1277 C ALA A 78 -8.998 0.132 -40.005 1.00 0.00 C ATOM 1278 O ALA A 78 -9.442 0.693 -40.994 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.191 -2.246 -40.104 1.00 0.00 C ATOM 0 H ALA A 78 -6.780 -1.251 -38.353 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.292 -0.586 -41.070 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.886 -2.437 -40.922 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.307 -2.871 -40.226 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.673 -2.481 -39.155 1.00 0.00 H new ATOM 1285 N ILE A 79 -9.526 0.283 -38.782 1.00 0.00 N ATOM 1286 CA ILE A 79 -10.651 1.200 -38.526 1.00 0.00 C ATOM 1287 C ILE A 79 -10.310 2.628 -38.953 1.00 0.00 C ATOM 1288 O ILE A 79 -11.116 3.294 -39.610 1.00 0.00 O ATOM 1289 CB ILE A 79 -11.012 1.224 -37.014 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -11.450 -0.158 -36.543 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -12.106 2.253 -36.732 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -11.646 -0.256 -35.048 1.00 0.00 C ATOM 0 H ILE A 79 -9.195 -0.215 -37.956 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.496 0.833 -39.108 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.119 1.512 -36.459 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.383 -0.423 -37.041 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.704 -0.891 -36.852 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.342 2.251 -35.668 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.758 3.244 -37.025 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -13.000 1.999 -37.302 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.957 -1.268 -34.787 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.709 -0.023 -34.542 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -12.413 0.452 -34.734 1.00 0.00 H new ATOM 1304 N ASP A 80 -9.120 3.088 -38.593 1.00 0.00 N ATOM 1305 CA ASP A 80 -8.675 4.428 -38.965 1.00 0.00 C ATOM 1306 C ASP A 80 -8.571 4.539 -40.490 1.00 0.00 C ATOM 1307 O ASP A 80 -8.824 5.598 -41.068 1.00 0.00 O ATOM 1308 CB ASP A 80 -7.301 4.756 -38.333 1.00 0.00 C ATOM 1309 CG ASP A 80 -7.298 4.833 -36.799 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -8.232 5.423 -36.206 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -6.328 4.345 -36.187 1.00 0.00 O1- ATOM 0 H ASP A 80 -8.445 2.556 -38.045 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.409 5.142 -38.591 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.583 3.998 -38.646 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.952 5.709 -38.731 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.192 3.437 -41.128 1.00 0.00 N ATOM 1317 CA LYS A 81 -8.060 3.381 -42.587 1.00 0.00 C ATOM 1318 C LYS A 81 -9.377 2.984 -43.286 1.00 0.00 C ATOM 1319 O LYS A 81 -9.404 2.810 -44.505 1.00 0.00 O ATOM 1320 CB LYS A 81 -6.943 2.400 -42.981 1.00 0.00 C ATOM 1321 CG LYS A 81 -5.573 2.765 -42.423 1.00 0.00 C ATOM 1322 CD LYS A 81 -5.046 4.046 -43.036 1.00 0.00 C ATOM 1323 CE LYS A 81 -3.811 4.557 -42.303 1.00 0.00 C ATOM 1324 NZ LYS A 81 -2.731 3.540 -42.234 1.00 0.00 N1+ ATOM 0 H LYS A 81 -7.968 2.561 -40.656 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.805 4.386 -42.922 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.211 1.402 -42.634 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.881 2.354 -44.068 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.638 2.879 -41.341 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.872 1.953 -42.617 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.801 3.874 -44.084 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.825 4.808 -43.011 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.436 5.448 -42.807 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.090 4.856 -41.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.823 4.010 -42.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.937 2.866 -41.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.676 3.030 -43.139 1.00 0.00 H new ATOM 1338 N GLY A 82 -10.464 2.850 -42.521 1.00 0.00 N ATOM 1339 CA GLY A 82 -11.756 2.479 -43.107 1.00 0.00 C ATOM 1340 C GLY A 82 -11.813 1.042 -43.628 1.00 0.00 C ATOM 1341 O GLY A 82 -12.750 0.674 -44.344 1.00 0.00 O ATOM 0 H GLY A 82 -10.477 2.990 -41.511 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.536 2.614 -42.357 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.981 3.161 -43.927 1.00 0.00 H new ATOM 1345 N ASP A 83 -10.830 0.239 -43.269 1.00 0.00 N ATOM 1346 CA ASP A 83 -10.749 -1.138 -43.746 1.00 0.00 C ATOM 1347 C ASP A 83 -11.609 -2.082 -42.906 1.00 0.00 C ATOM 1348 O ASP A 83 -11.214 -2.513 -41.826 1.00 0.00 O ATOM 1349 CB ASP A 83 -9.305 -1.630 -43.801 1.00 0.00 C ATOM 1350 CG ASP A 83 -9.176 -2.922 -44.584 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -9.473 -3.991 -44.035 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -8.772 -2.865 -45.767 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.071 0.513 -42.646 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.145 -1.142 -44.761 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.678 -0.865 -44.258 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.935 -1.782 -42.787 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.787 -2.376 -43.421 1.00 0.00 N ATOM 1358 CA LYS A 84 -13.742 -3.244 -42.732 1.00 0.00 C ATOM 1359 C LYS A 84 -13.338 -4.714 -42.842 1.00 0.00 C ATOM 1360 O LYS A 84 -13.590 -5.511 -41.935 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.162 -3.047 -43.267 1.00 0.00 C ATOM 1362 CG LYS A 84 -16.027 -2.124 -42.416 1.00 0.00 C ATOM 1363 CD LYS A 84 -15.492 -0.705 -42.387 1.00 0.00 C ATOM 1364 CE LYS A 84 -16.381 0.196 -41.547 1.00 0.00 C ATOM 1365 NZ LYS A 84 -15.926 1.605 -41.569 1.00 0.00 N1+ ATOM 0 H LYS A 84 -13.114 -2.027 -44.322 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.729 -2.961 -41.679 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.105 -2.643 -44.278 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.649 -4.019 -43.339 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -17.044 -2.119 -42.807 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.078 -2.512 -41.399 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.480 -0.703 -41.982 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.430 -0.315 -43.403 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.405 0.140 -41.916 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.393 -0.165 -40.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.748 1.928 -40.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.049 1.678 -42.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.660 2.200 -42.003 1.00 0.00 H new ATOM 1379 N ASP A 85 -12.696 -5.052 -43.955 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.318 -6.437 -44.260 1.00 0.00 C ATOM 1381 C ASP A 85 -11.382 -7.030 -43.221 1.00 0.00 C ATOM 1382 O ASP A 85 -11.626 -8.123 -42.710 1.00 0.00 O ATOM 1383 CB ASP A 85 -11.670 -6.529 -45.646 1.00 0.00 C ATOM 1384 CG ASP A 85 -12.669 -6.405 -46.775 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -12.853 -5.287 -47.302 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -13.274 -7.429 -47.144 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.422 -4.380 -44.672 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.240 -7.019 -44.245 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.921 -5.744 -45.743 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.147 -7.481 -45.734 1.00 0.00 H new ATOM 1391 N SER A 86 -10.324 -6.309 -42.901 1.00 0.00 N ATOM 1392 CA SER A 86 -9.321 -6.782 -41.958 1.00 0.00 C ATOM 1393 C SER A 86 -9.879 -6.908 -40.543 1.00 0.00 C ATOM 1394 O SER A 86 -9.441 -7.764 -39.771 1.00 0.00 O ATOM 1395 CB SER A 86 -8.114 -5.854 -41.968 1.00 0.00 C ATOM 1396 OG SER A 86 -7.651 -5.652 -43.295 1.00 0.00 O ATOM 0 H SER A 86 -10.134 -5.383 -43.284 1.00 0.00 H new ATOM 0 HA SER A 86 -9.015 -7.778 -42.277 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.381 -4.897 -41.520 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.316 -6.279 -41.359 1.00 0.00 H new ATOM 0 HG SER A 86 -8.262 -5.048 -43.766 1.00 0.00 H new ATOM 1402 N LEU A 87 -10.856 -6.070 -40.217 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.420 -6.028 -38.871 1.00 0.00 C ATOM 1404 C LEU A 87 -11.982 -7.375 -38.454 1.00 0.00 C ATOM 1405 O LEU A 87 -11.814 -7.788 -37.315 1.00 0.00 O ATOM 1406 CB LEU A 87 -12.524 -4.977 -38.785 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.112 -3.548 -39.102 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.296 -2.605 -38.953 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -10.974 -3.120 -38.205 1.00 0.00 C ATOM 0 H LEU A 87 -11.276 -5.407 -40.869 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.608 -5.766 -38.192 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.324 -5.263 -39.468 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.941 -4.999 -37.778 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.772 -3.506 -40.137 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.982 -1.587 -39.184 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.088 -2.905 -39.639 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.668 -2.647 -37.929 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.689 -2.095 -38.443 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.291 -3.176 -37.164 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.120 -3.779 -38.361 1.00 0.00 H new ATOM 1421 N GLU A 88 -12.640 -8.054 -39.375 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.222 -9.356 -39.086 1.00 0.00 C ATOM 1423 C GLU A 88 -12.150 -10.361 -38.631 1.00 0.00 C ATOM 1424 O GLU A 88 -12.331 -11.063 -37.633 1.00 0.00 O ATOM 1425 CB GLU A 88 -13.960 -9.873 -40.313 1.00 0.00 C ATOM 1426 CG GLU A 88 -14.772 -11.129 -40.069 1.00 0.00 C ATOM 1427 CD GLU A 88 -15.518 -11.563 -41.302 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -16.725 -11.271 -41.406 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -14.896 -12.175 -42.191 1.00 0.00 O1- ATOM 0 H GLU A 88 -12.786 -7.728 -40.330 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.930 -9.242 -38.266 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.624 -9.090 -40.680 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.235 -10.071 -41.102 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.110 -11.932 -39.744 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.480 -10.952 -39.260 1.00 0.00 H new ATOM 1436 N GLN A 89 -11.028 -10.409 -39.348 1.00 0.00 N ATOM 1437 CA GLN A 89 -9.939 -11.323 -38.993 1.00 0.00 C ATOM 1438 C GLN A 89 -9.283 -10.897 -37.691 1.00 0.00 C ATOM 1439 O GLN A 89 -9.042 -11.717 -36.808 1.00 0.00 O ATOM 1440 CB GLN A 89 -8.862 -11.390 -40.089 1.00 0.00 C ATOM 1441 CG GLN A 89 -9.309 -11.992 -41.414 1.00 0.00 C ATOM 1442 CD GLN A 89 -10.171 -11.055 -42.224 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -11.398 -11.089 -42.144 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -9.536 -10.195 -42.985 1.00 0.00 N ATOM 0 H GLN A 89 -10.848 -9.833 -40.170 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.386 -12.311 -38.881 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.494 -10.381 -40.274 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.021 -11.971 -39.712 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.430 -12.265 -41.998 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.862 -12.911 -41.221 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.517 -10.202 -43.022 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.062 -9.520 -43.540 1.00 0.00 H new ATOM 1453 N LEU A 90 -8.999 -9.608 -37.579 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.348 -9.059 -36.398 1.00 0.00 C ATOM 1455 C LEU A 90 -9.200 -9.235 -35.145 1.00 0.00 C ATOM 1456 O LEU A 90 -8.673 -9.472 -34.060 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.006 -7.590 -36.628 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.038 -7.325 -37.786 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -6.918 -5.841 -38.061 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -5.671 -7.922 -37.486 1.00 0.00 C ATOM 0 H LEU A 90 -9.211 -8.917 -38.299 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.425 -9.615 -36.232 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.930 -7.042 -36.814 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.574 -7.185 -35.713 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.439 -7.805 -38.679 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.225 -5.679 -38.887 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.897 -5.439 -38.324 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.545 -5.335 -37.170 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.997 -7.724 -38.319 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.268 -7.472 -36.579 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.767 -8.999 -37.345 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.512 -9.145 -35.300 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.418 -9.330 -34.178 1.00 0.00 C ATOM 1474 C LEU A 91 -11.388 -10.781 -33.731 1.00 0.00 C ATOM 1475 O LEU A 91 -11.424 -11.080 -32.535 1.00 0.00 O ATOM 1476 CB LEU A 91 -12.843 -8.933 -34.553 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.869 -9.038 -33.426 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -13.579 -8.017 -32.334 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -15.272 -8.866 -33.966 1.00 0.00 C ATOM 0 H LEU A 91 -10.971 -8.946 -36.189 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.089 -8.688 -33.361 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -12.832 -7.906 -34.917 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.172 -9.561 -35.381 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.793 -10.032 -32.986 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.322 -8.110 -31.542 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.586 -8.197 -31.922 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -13.621 -7.012 -32.755 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.989 -8.944 -33.148 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -15.363 -7.887 -34.436 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.476 -9.643 -34.703 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.301 -11.675 -34.707 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.223 -13.102 -34.453 1.00 0.00 C ATOM 1493 C GLU A 92 -9.967 -13.413 -33.644 1.00 0.00 C ATOM 1494 O GLU A 92 -10.012 -14.149 -32.654 1.00 0.00 O ATOM 1495 CB GLU A 92 -11.187 -13.848 -35.792 1.00 0.00 C ATOM 1496 CG GLU A 92 -11.171 -15.360 -35.682 1.00 0.00 C ATOM 1497 CD GLU A 92 -12.427 -15.914 -35.057 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -13.527 -15.613 -35.563 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -12.318 -16.670 -34.073 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.283 -11.428 -35.697 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.095 -13.424 -33.883 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.055 -13.551 -36.380 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.303 -13.529 -36.345 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.045 -15.791 -36.675 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.310 -15.667 -35.089 1.00 0.00 H new ATOM 1506 N GLU A 93 -8.856 -12.818 -34.055 1.00 0.00 N ATOM 1507 CA GLU A 93 -7.591 -13.000 -33.369 1.00 0.00 C ATOM 1508 C GLU A 93 -7.634 -12.419 -31.964 1.00 0.00 C ATOM 1509 O GLU A 93 -7.102 -13.013 -31.025 1.00 0.00 O ATOM 1510 CB GLU A 93 -6.453 -12.378 -34.166 1.00 0.00 C ATOM 1511 CG GLU A 93 -6.075 -13.175 -35.394 1.00 0.00 C ATOM 1512 CD GLU A 93 -5.650 -14.581 -35.041 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -4.616 -14.739 -34.357 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -6.340 -15.537 -35.444 1.00 0.00 O1- ATOM 0 H GLU A 93 -8.809 -12.201 -34.866 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.412 -14.072 -33.284 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.740 -11.371 -34.469 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.579 -12.280 -33.522 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.923 -13.212 -36.078 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.264 -12.671 -35.919 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.279 -11.267 -31.822 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.406 -10.616 -30.525 1.00 0.00 C ATOM 1523 C LEU A 94 -9.207 -11.483 -29.568 1.00 0.00 C ATOM 1524 O LEU A 94 -8.811 -11.695 -28.426 1.00 0.00 O ATOM 1525 CB LEU A 94 -9.095 -9.251 -30.665 1.00 0.00 C ATOM 1526 CG LEU A 94 -8.263 -8.130 -31.283 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -9.133 -6.911 -31.547 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -7.113 -7.762 -30.366 1.00 0.00 C ATOM 0 H LEU A 94 -8.723 -10.764 -32.591 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.402 -10.471 -30.127 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.993 -9.382 -31.268 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.420 -8.929 -29.676 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.856 -8.482 -32.231 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.527 -6.120 -31.988 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.935 -7.179 -32.234 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.562 -6.560 -30.608 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.528 -6.962 -30.819 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.506 -7.426 -29.406 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.477 -8.634 -30.212 1.00 0.00 H new ATOM 1540 N GLU A 95 -10.337 -11.974 -30.045 1.00 0.00 N ATOM 1541 CA GLU A 95 -11.231 -12.794 -29.244 1.00 0.00 C ATOM 1542 C GLU A 95 -10.558 -14.097 -28.780 1.00 0.00 C ATOM 1543 O GLU A 95 -10.627 -14.450 -27.604 1.00 0.00 O ATOM 1544 CB GLU A 95 -12.494 -13.089 -30.055 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.626 -13.701 -29.262 1.00 0.00 C ATOM 1546 CD GLU A 95 -14.911 -13.744 -30.055 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -15.136 -14.735 -30.776 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -15.706 -12.782 -29.959 1.00 0.00 O1- ATOM 0 H GLU A 95 -10.662 -11.816 -30.999 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.494 -12.243 -28.341 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.845 -12.161 -30.506 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.235 -13.762 -30.872 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.352 -14.712 -28.959 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.782 -13.126 -28.349 1.00 0.00 H new ATOM 1555 N GLN A 96 -9.880 -14.783 -29.696 1.00 0.00 N ATOM 1556 CA GLN A 96 -9.201 -16.044 -29.366 1.00 0.00 C ATOM 1557 C GLN A 96 -8.083 -15.823 -28.354 1.00 0.00 C ATOM 1558 O GLN A 96 -7.938 -16.578 -27.394 1.00 0.00 O ATOM 1559 CB GLN A 96 -8.627 -16.694 -30.622 1.00 0.00 C ATOM 1560 CG GLN A 96 -9.673 -17.196 -31.598 1.00 0.00 C ATOM 1561 CD GLN A 96 -9.056 -17.758 -32.861 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -7.938 -18.273 -32.846 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -9.772 -17.665 -33.953 1.00 0.00 N ATOM 0 H GLN A 96 -9.783 -14.493 -30.669 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.945 -16.707 -28.925 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.988 -15.972 -31.131 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.992 -17.529 -30.327 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.276 -17.966 -31.117 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.347 -16.379 -31.857 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.694 -17.231 -33.923 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.407 -18.027 -34.834 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.324 -14.768 -28.565 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.195 -14.459 -27.700 1.00 0.00 C ATOM 1574 C ALA A 97 -6.677 -13.997 -26.335 1.00 0.00 C ATOM 1575 O ALA A 97 -6.066 -14.309 -25.317 1.00 0.00 O ATOM 1576 CB ALA A 97 -5.291 -13.417 -28.338 1.00 0.00 C ATOM 0 H ALA A 97 -7.465 -14.106 -29.328 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.611 -15.370 -27.564 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.455 -13.204 -27.672 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.911 -13.797 -29.287 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.857 -12.502 -28.514 1.00 0.00 H new ATOM 1582 N LEU A 98 -7.796 -13.278 -26.318 1.00 0.00 N ATOM 1583 CA LEU A 98 -8.371 -12.791 -25.073 1.00 0.00 C ATOM 1584 C LEU A 98 -8.732 -13.966 -24.183 1.00 0.00 C ATOM 1585 O LEU A 98 -8.425 -13.977 -22.988 1.00 0.00 O ATOM 1586 CB LEU A 98 -9.633 -11.970 -25.346 1.00 0.00 C ATOM 1587 CG LEU A 98 -10.274 -11.324 -24.118 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -9.658 -9.967 -23.839 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -11.775 -11.217 -24.287 1.00 0.00 C ATOM 0 H LEU A 98 -8.321 -13.021 -27.154 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.634 -12.159 -24.579 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.388 -11.185 -26.062 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.370 -12.616 -25.822 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.079 -11.964 -23.257 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.130 -9.527 -22.961 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.590 -10.083 -23.657 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.811 -9.314 -24.699 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.209 -10.754 -23.401 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.000 -10.607 -25.162 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.198 -12.213 -24.420 1.00 0.00 H new ATOM 1601 N GLN A 99 -9.391 -14.952 -24.773 1.00 0.00 N ATOM 1602 CA GLN A 99 -9.771 -16.144 -24.048 1.00 0.00 C ATOM 1603 C GLN A 99 -8.564 -16.913 -23.547 1.00 0.00 C ATOM 1604 O GLN A 99 -8.578 -17.406 -22.429 1.00 0.00 O ATOM 1605 CB GLN A 99 -10.670 -17.055 -24.888 1.00 0.00 C ATOM 1606 CG GLN A 99 -12.158 -16.806 -24.684 1.00 0.00 C ATOM 1607 CD GLN A 99 -12.599 -15.442 -25.159 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -12.533 -14.464 -24.418 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -13.072 -15.371 -26.379 1.00 0.00 N ATOM 0 H GLN A 99 -9.672 -14.945 -25.754 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.339 -15.809 -23.180 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.429 -16.916 -25.942 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.448 -18.094 -24.644 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.725 -17.570 -25.215 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.396 -16.911 -23.626 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.109 -16.208 -26.961 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.403 -14.479 -26.746 1.00 0.00 H new ATOM 1618 N LYS A 100 -7.501 -16.982 -24.344 1.00 0.00 N ATOM 1619 CA LYS A 100 -6.328 -17.757 -23.961 1.00 0.00 C ATOM 1620 C LYS A 100 -5.583 -17.108 -22.815 1.00 0.00 C ATOM 1621 O LYS A 100 -5.150 -17.793 -21.886 1.00 0.00 O ATOM 1622 CB LYS A 100 -5.404 -17.978 -25.164 1.00 0.00 C ATOM 1623 CG LYS A 100 -6.039 -18.814 -26.266 1.00 0.00 C ATOM 1624 CD LYS A 100 -6.573 -20.117 -25.705 1.00 0.00 C ATOM 1625 CE LYS A 100 -7.312 -20.933 -26.747 1.00 0.00 C ATOM 1626 NZ LYS A 100 -7.922 -22.148 -26.149 1.00 0.00 N1+ ATOM 0 H LYS A 100 -7.429 -16.516 -25.248 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.674 -18.731 -23.615 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.114 -17.010 -25.573 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.491 -18.468 -24.827 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.849 -18.254 -26.734 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.303 -19.021 -27.043 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.746 -20.704 -25.307 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.243 -19.904 -24.872 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.089 -20.322 -27.206 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.623 -21.222 -27.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.645 -22.527 -26.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.186 -22.866 -25.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.364 -21.903 -25.240 1.00 0.00 H new ATOM 1640 N ILE A 101 -5.448 -15.792 -22.865 1.00 0.00 N ATOM 1641 CA ILE A 101 -4.796 -15.065 -21.791 1.00 0.00 C ATOM 1642 C ILE A 101 -5.567 -15.273 -20.497 1.00 0.00 C ATOM 1643 O ILE A 101 -4.981 -15.562 -19.450 1.00 0.00 O ATOM 1644 CB ILE A 101 -4.710 -13.551 -22.098 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -3.886 -13.313 -23.362 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -4.099 -12.799 -20.918 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -3.929 -11.885 -23.856 1.00 0.00 C ATOM 0 H ILE A 101 -5.780 -15.210 -23.634 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.781 -15.449 -21.693 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.719 -13.174 -22.262 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.850 -13.589 -23.167 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.249 -13.972 -24.151 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -4.046 -11.736 -21.152 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.718 -12.946 -20.033 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.095 -13.178 -20.725 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.321 -11.793 -24.756 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.959 -11.610 -24.084 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.538 -11.221 -23.085 1.00 0.00 H new ATOM 1659 N ARG A 102 -6.892 -15.146 -20.575 1.00 0.00 N ATOM 1660 CA ARG A 102 -7.733 -15.354 -19.413 1.00 0.00 C ATOM 1661 C ARG A 102 -7.638 -16.793 -18.905 1.00 0.00 C ATOM 1662 O ARG A 102 -7.611 -17.021 -17.703 1.00 0.00 O ATOM 1663 CB ARG A 102 -9.189 -14.969 -19.703 1.00 0.00 C ATOM 1664 CG ARG A 102 -9.375 -13.486 -19.991 1.00 0.00 C ATOM 1665 CD ARG A 102 -10.840 -13.076 -19.943 1.00 0.00 C ATOM 1666 NE ARG A 102 -11.634 -13.642 -21.038 1.00 0.00 N ATOM 1667 CZ ARG A 102 -12.939 -13.940 -20.937 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -13.581 -13.759 -19.787 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -13.598 -14.405 -21.985 1.00 0.00 N ATOM 0 H ARG A 102 -7.396 -14.902 -21.427 1.00 0.00 H new ATOM 0 HA ARG A 102 -7.365 -14.699 -18.624 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.547 -15.545 -20.556 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.808 -15.246 -18.849 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.811 -12.902 -19.264 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.965 -13.253 -20.974 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.268 -13.392 -18.992 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.908 -11.989 -19.978 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.168 -13.820 -21.928 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.082 -13.392 -18.977 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.573 -13.987 -19.715 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.115 -14.538 -22.873 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.590 -14.631 -21.905 1.00 0.00 H new ATOM 1683 N GLU A 103 -7.570 -17.760 -19.824 1.00 0.00 N ATOM 1684 CA GLU A 103 -7.451 -19.166 -19.436 1.00 0.00 C ATOM 1685 C GLU A 103 -6.156 -19.417 -18.669 1.00 0.00 C ATOM 1686 O GLU A 103 -6.162 -20.067 -17.626 1.00 0.00 O ATOM 1687 CB GLU A 103 -7.518 -20.095 -20.655 1.00 0.00 C ATOM 1688 CG GLU A 103 -8.892 -20.185 -21.299 1.00 0.00 C ATOM 1689 CD GLU A 103 -8.956 -21.243 -22.381 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -8.972 -20.889 -23.580 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -8.995 -22.448 -22.036 1.00 0.00 O1- ATOM 0 H GLU A 103 -7.595 -17.597 -20.831 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.297 -19.389 -18.785 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.802 -19.749 -21.401 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.205 -21.094 -20.353 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.635 -20.407 -20.533 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.154 -19.217 -21.726 1.00 0.00 H new ATOM 1698 N LEU A 104 -5.055 -18.885 -19.178 1.00 0.00 N ATOM 1699 CA LEU A 104 -3.753 -19.068 -18.545 1.00 0.00 C ATOM 1700 C LEU A 104 -3.690 -18.378 -17.186 1.00 0.00 C ATOM 1701 O LEU A 104 -3.180 -18.939 -16.217 1.00 0.00 O ATOM 1702 CB LEU A 104 -2.636 -18.540 -19.452 1.00 0.00 C ATOM 1703 CG LEU A 104 -2.443 -19.279 -20.780 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -1.311 -18.651 -21.575 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -2.171 -20.759 -20.540 1.00 0.00 C ATOM 0 H LEU A 104 -5.035 -18.322 -20.028 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.611 -20.137 -18.389 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.837 -17.491 -19.669 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.698 -18.577 -18.899 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.363 -19.192 -21.358 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.186 -19.187 -22.516 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.547 -17.607 -21.781 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.387 -18.708 -21.000 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.037 -21.264 -21.497 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.267 -20.870 -19.941 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.014 -21.203 -20.010 1.00 0.00 H new ATOM 1717 N ALA A 105 -4.223 -17.169 -17.117 1.00 0.00 N ATOM 1718 CA ALA A 105 -4.201 -16.391 -15.887 1.00 0.00 C ATOM 1719 C ALA A 105 -5.141 -16.968 -14.831 1.00 0.00 C ATOM 1720 O ALA A 105 -4.901 -16.822 -13.632 1.00 0.00 O ATOM 1721 CB ALA A 105 -4.555 -14.938 -16.173 1.00 0.00 C ATOM 0 H ALA A 105 -4.678 -16.703 -17.902 1.00 0.00 H new ATOM 0 HA ALA A 105 -3.188 -16.440 -15.487 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.534 -14.369 -15.244 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.832 -14.518 -16.872 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.553 -14.886 -16.609 1.00 0.00 H new ATOM 1727 N GLU A 106 -6.192 -17.636 -15.275 1.00 0.00 N ATOM 1728 CA GLU A 106 -7.177 -18.186 -14.366 1.00 0.00 C ATOM 1729 C GLU A 106 -6.836 -19.618 -13.954 1.00 0.00 C ATOM 1730 O GLU A 106 -7.079 -20.021 -12.819 1.00 0.00 O ATOM 1731 CB GLU A 106 -8.561 -18.146 -15.005 1.00 0.00 C ATOM 1732 CG GLU A 106 -9.671 -18.636 -14.100 1.00 0.00 C ATOM 1733 CD GLU A 106 -9.882 -17.743 -12.894 1.00 0.00 C ATOM 1734 OE1 GLU A 106 -10.933 -17.081 -12.825 1.00 0.00 O ATOM 1735 OE2 GLU A 106 -9.002 -17.705 -12.007 1.00 0.00 O1- ATOM 0 H GLU A 106 -6.383 -17.810 -16.262 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.172 -17.571 -13.466 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.780 -17.123 -15.310 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.550 -18.753 -15.910 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -10.599 -18.695 -14.669 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.439 -19.646 -13.762 1.00 0.00 H new ATOM 1742 N LYS A 107 -6.249 -20.377 -14.857 1.00 0.00 N ATOM 1743 CA LYS A 107 -5.950 -21.772 -14.576 1.00 0.00 C ATOM 1744 C LYS A 107 -4.494 -21.961 -14.208 1.00 0.00 C ATOM 1745 O LYS A 107 -3.966 -23.069 -14.289 1.00 0.00 O ATOM 1746 CB LYS A 107 -6.318 -22.659 -15.765 1.00 0.00 C ATOM 1747 CG LYS A 107 -7.814 -22.737 -16.032 1.00 0.00 C ATOM 1748 CD LYS A 107 -8.132 -23.679 -17.186 1.00 0.00 C ATOM 1749 CE LYS A 107 -7.683 -25.108 -16.893 1.00 0.00 C ATOM 1750 NZ LYS A 107 -8.307 -25.649 -15.655 1.00 0.00 N1+ ATOM 0 H LYS A 107 -5.970 -20.058 -15.785 1.00 0.00 H new ATOM 0 HA LYS A 107 -6.556 -22.071 -13.720 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -5.818 -22.281 -16.657 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.937 -23.665 -15.588 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.327 -23.077 -15.132 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.196 -21.742 -16.259 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.205 -23.668 -17.379 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.641 -23.323 -18.092 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.939 -25.748 -17.737 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.598 -25.133 -16.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.126 -26.671 -15.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.899 -25.174 -14.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.333 -25.480 -15.681 1.00 0.00 H new ATOM 1764 N LYS A 108 -3.846 -20.873 -13.803 1.00 0.00 N ATOM 1765 CA LYS A 108 -2.455 -20.927 -13.371 1.00 0.00 C ATOM 1766 C LYS A 108 -2.279 -21.953 -12.247 1.00 0.00 C ATOM 1767 O LYS A 108 -1.296 -22.700 -12.225 1.00 0.00 O ATOM 1768 CB LYS A 108 -1.959 -19.535 -12.939 1.00 0.00 C ATOM 1769 CG LYS A 108 -2.814 -18.858 -11.877 1.00 0.00 C ATOM 1770 CD LYS A 108 -2.298 -17.461 -11.566 1.00 0.00 C ATOM 1771 CE LYS A 108 -3.143 -16.769 -10.504 1.00 0.00 C ATOM 1772 NZ LYS A 108 -4.559 -16.611 -10.929 1.00 0.00 N1+ ATOM 0 H LYS A 108 -4.263 -19.943 -13.765 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.846 -21.247 -14.216 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.941 -19.628 -12.562 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.916 -18.891 -13.817 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.847 -18.799 -12.220 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.814 -19.460 -10.968 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.265 -17.523 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.298 -16.863 -12.477 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.105 -17.345 -9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.719 -15.789 -10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.914 -15.685 -10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.619 -16.672 -11.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.135 -17.365 -10.504 1.00 0.00 H new ATOM 1786 N ASN A 109 -3.227 -21.978 -11.316 1.00 0.00 N ATOM 1787 CA ASN A 109 -3.243 -22.966 -10.252 1.00 0.00 C ATOM 1788 C ASN A 109 -4.649 -23.068 -9.675 1.00 0.00 C ATOM 1789 O ASN A 109 -5.015 -22.211 -8.835 1.00 0.00 O ATOM 1790 CB ASN A 109 -2.241 -22.607 -9.146 1.00 0.00 C ATOM 1791 CG ASN A 109 -2.177 -23.664 -8.058 1.00 0.00 C ATOM 1792 OD1 ASN A 109 -1.400 -24.611 -8.145 1.00 0.00 O ATOM 1793 ND2 ASN A 109 -2.990 -23.508 -7.029 1.00 0.00 N ATOM 1794 OXT ASN A 109 -5.397 -23.983 -10.081 1.00 0.00 O ATOM 0 H ASN A 109 -4.001 -21.315 -11.281 1.00 0.00 H new ATOM 0 HA ASN A 109 -2.948 -23.929 -10.669 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -1.251 -22.480 -9.584 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -2.519 -21.650 -8.704 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -2.987 -24.188 -6.269 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.621 -22.707 -6.994 1.00 0.00 H new TER 1801 ASN A 109 HETATM 1802 NA1 7BU A 201 -1.151 -8.869 -18.335 1.00 0.00 N HETATM 1803 NB2 7BU A 201 -3.387 -8.660 -20.123 1.00 0.00 N HETATM 1804 ND4 7BU A 201 -2.835 -9.988 -16.283 1.00 0.00 N HETATM 1805 CHA 7BU A 201 -0.370 -10.151 -16.344 1.00 0.00 C HETATM 1806 CHB 7BU A 201 -1.220 -7.506 -20.407 1.00 0.00 C HETATM 1807 CHC 7BU A 201 -5.607 -9.665 -20.513 1.00 0.00 C HETATM 1808 CHD 7BU A 201 -5.214 -10.232 -15.653 1.00 0.00 C HETATM 1809 C1A 7BU A 201 -0.156 -9.367 -17.522 1.00 0.00 C HETATM 1810 C1B 7BU A 201 -2.521 -7.875 -20.850 1.00 0.00 C HETATM 1811 C1C 7BU A 201 -5.917 -9.985 -19.160 1.00 0.00 C HETATM 1812 C1D 7BU A 201 -3.821 -10.327 -15.385 1.00 0.00 C HETATM 1813 C1FA 7BU A 201 0.914 -10.702 -15.679 1.00 0.00 C HETATM 1814 C1FB 7BU A 201 -0.392 -6.530 -21.261 1.00 0.00 C HETATM 1815 C1FC 7BU A 201 -6.728 -9.980 -21.517 1.00 0.00 C HETATM 1816 C1FD 7BU A 201 -6.190 -10.482 -14.495 1.00 0.00 C HETATM 1817 C2A 7BU A 201 1.136 -8.885 -18.004 1.00 0.00 C HETATM 1818 C2B 7BU A 201 -3.078 -7.649 -22.176 1.00 0.00 C HETATM 1819 C2C 7BU A 201 -7.227 -10.401 -18.665 1.00 0.00 C HETATM 1820 C2D 7BU A 201 -3.211 -10.939 -14.214 1.00 0.00 C HETATM 1821 C3A 7BU A 201 0.896 -8.106 -19.086 1.00 0.00 C HETATM 1822 C3B 7BU A 201 -4.263 -8.300 -22.226 1.00 0.00 C HETATM 1823 C3C 7BU A 201 -7.137 -10.497 -17.320 1.00 0.00 C HETATM 1824 C3D 7BU A 201 -1.876 -10.976 -14.432 1.00 0.00 C HETATM 1825 C4A 7BU A 201 -0.544 -8.103 -19.301 1.00 0.00 C HETATM 1826 C4B 7BU A 201 -4.465 -8.940 -20.936 1.00 0.00 C HETATM 1827 C4C 7BU A 201 -5.774 -10.139 -16.957 1.00 0.00 C HETATM 1828 C4D 7BU A 201 -1.629 -10.380 -15.735 1.00 0.00 C HETATM 1829 NC3 7BU A 201 -5.062 -9.837 -18.094 1.00 0.00 N HETATM 1830 F21A 7BU A 201 1.486 -9.786 -14.872 1.00 0.00 F HETATM 1831 F21B 7BU A 201 -1.176 -5.639 -21.919 1.00 0.00 F HETATM 1832 F21C 7BU A 201 -6.345 -10.026 -22.807 1.00 0.00 F HETATM 1833 F21D 7BU A 201 -7.337 -9.769 -14.598 1.00 0.00 F HETATM 1834 F22A 7BU A 201 1.866 -11.024 -16.588 1.00 0.00 F HETATM 1835 F22B 7BU A 201 0.345 -7.142 -22.220 1.00 0.00 F HETATM 1836 F22C 7BU A 201 -7.309 -11.187 -21.280 1.00 0.00 F HETATM 1837 F22D 7BU A 201 -5.653 -10.121 -13.304 1.00 0.00 F HETATM 1838 F23A 7BU A 201 0.734 -11.810 -14.922 1.00 0.00 F HETATM 1839 F23B 7BU A 201 0.467 -5.805 -20.510 1.00 0.00 F HETATM 1840 F23C 7BU A 201 -7.713 -9.056 -21.448 1.00 0.00 F HETATM 1841 F23D 7BU A 201 -6.541 -11.786 -14.394 1.00 0.00 F HETATM 1842 ZN 7BU A 201 -3.203 -8.936 -18.063 1.00 0.00 ZN