USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 723 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 SER OG : rot -166:sc= 2.21 USER MOD Set 1.2: A 67 SER OG : rot 52:sc= 1.37 USER MOD Set 2.1: A 13 GLN : amide:sc= 2.39 K(o=3.3,f=-2.8!) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.862 K(o=3.3,f=-2.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0209 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.66 K(o=1.7,f=-0.012) USER MOD Single : A 4 TYR OH : rot -40:sc= 1.29 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -2.22 F(o=-2.9,f=-2.2) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0.82 (180deg=0.82) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.18) USER MOD Single : A 35 LYS NZ :NH3+ -105:sc= 1.26 (180deg=0.352) USER MOD Single : A 51 ASN : amide:sc= 0.766 K(o=0.77,f=-4.7!) USER MOD Single : A 54 GLN : amide:sc= 0.34 X(o=0.34,f=0) USER MOD Single : A 55 SER OG : rot -130:sc= 0.776 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.789 K(o=0.79,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0717 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -70:sc= 0.601 USER MOD Single : A 77 SER OG : rot 11:sc= 0.47 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.467 K(o=0.47,f=-4.2!) USER MOD Single : A 84 HIS : no HE2:sc= 0.0961 K(o=0.096,f=-2.8!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.677 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0149 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.002 -0.218 -0.609 1.00 0.00 N ATOM 2 CA MET A 1 1.308 -0.091 -1.298 1.00 0.00 C ATOM 3 C MET A 1 1.910 -1.479 -1.530 1.00 0.00 C ATOM 4 O MET A 1 1.668 -2.402 -0.748 1.00 0.00 O ATOM 5 CB MET A 1 2.314 0.783 -0.512 1.00 0.00 C ATOM 6 CG MET A 1 1.860 2.233 -0.288 1.00 0.00 C ATOM 7 SD MET A 1 1.390 3.129 -1.792 1.00 0.00 S ATOM 8 CE MET A 1 1.046 4.764 -1.089 1.00 0.00 C ATOM 0 H1 MET A 1 -0.751 0.181 -1.211 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.202 -1.222 -0.427 1.00 0.00 H new ATOM 0 H3 MET A 1 0.029 0.298 0.293 1.00 0.00 H new ATOM 0 HA MET A 1 1.120 0.405 -2.250 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.498 0.320 0.457 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.264 0.792 -1.047 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.011 2.231 0.396 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.665 2.778 0.205 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.741 5.445 -1.884 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.246 4.683 -0.353 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.944 5.149 -0.607 1.00 0.00 H new ATOM 20 N LEU A 2 2.722 -1.634 -2.580 1.00 0.00 N ATOM 21 CA LEU A 2 3.511 -2.838 -2.856 1.00 0.00 C ATOM 22 C LEU A 2 4.916 -2.403 -3.270 1.00 0.00 C ATOM 23 O LEU A 2 5.180 -1.207 -3.417 1.00 0.00 O ATOM 24 CB LEU A 2 2.852 -3.686 -3.965 1.00 0.00 C ATOM 25 CG LEU A 2 1.612 -4.493 -3.532 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.043 -5.221 -4.754 1.00 0.00 C ATOM 27 CD2 LEU A 2 1.933 -5.528 -2.444 1.00 0.00 C ATOM 0 H LEU A 2 2.852 -0.905 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 2 3.562 -3.459 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.567 -3.025 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.596 -4.379 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 2 0.890 -3.790 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.165 -5.795 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.761 -4.492 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.798 -5.895 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.025 -6.068 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.676 -6.232 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.326 -5.020 -1.563 1.00 0.00 H new ATOM 39 N GLN A 3 5.806 -3.375 -3.467 1.00 0.00 N ATOM 40 CA GLN A 3 7.198 -3.189 -3.840 1.00 0.00 C ATOM 41 C GLN A 3 7.535 -4.217 -4.923 1.00 0.00 C ATOM 42 O GLN A 3 6.991 -5.326 -4.927 1.00 0.00 O ATOM 43 CB GLN A 3 8.053 -3.382 -2.573 1.00 0.00 C ATOM 44 CG GLN A 3 9.568 -3.186 -2.749 1.00 0.00 C ATOM 45 CD GLN A 3 10.294 -3.551 -1.455 1.00 0.00 C ATOM 46 OE1 GLN A 3 10.827 -4.649 -1.319 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.290 -2.683 -0.460 1.00 0.00 N ATOM 0 H GLN A 3 5.559 -4.359 -3.365 1.00 0.00 H new ATOM 0 HA GLN A 3 7.395 -2.194 -4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.702 -2.685 -1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.878 -4.387 -2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.931 -3.807 -3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.781 -2.151 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 3 9.846 -1.773 -0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.731 -2.923 0.428 1.00 0.00 H new ATOM 56 N TYR A 4 8.471 -3.884 -5.808 1.00 0.00 N ATOM 57 CA TYR A 4 9.095 -4.842 -6.706 1.00 0.00 C ATOM 58 C TYR A 4 10.590 -4.576 -6.808 1.00 0.00 C ATOM 59 O TYR A 4 11.084 -3.513 -6.419 1.00 0.00 O ATOM 60 CB TYR A 4 8.393 -4.889 -8.078 1.00 0.00 C ATOM 61 CG TYR A 4 8.368 -3.667 -8.990 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.542 -2.962 -9.343 1.00 0.00 C ATOM 63 CD2 TYR A 4 7.164 -3.364 -9.655 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.525 -2.011 -10.377 1.00 0.00 C ATOM 65 CE2 TYR A 4 7.142 -2.421 -10.694 1.00 0.00 C ATOM 66 CZ TYR A 4 8.330 -1.773 -11.090 1.00 0.00 C ATOM 67 OH TYR A 4 8.326 -0.989 -12.202 1.00 0.00 O ATOM 0 H TYR A 4 8.818 -2.932 -5.920 1.00 0.00 H new ATOM 0 HA TYR A 4 8.973 -5.840 -6.285 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.852 -5.700 -8.644 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.356 -5.173 -7.897 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.462 -3.157 -8.812 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.251 -3.861 -9.363 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.423 -1.464 -10.625 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.212 -2.191 -11.192 1.00 0.00 H new ATOM 0 HH TYR A 4 8.918 -0.220 -12.063 1.00 0.00 H new ATOM 77 N ARG A 5 11.297 -5.532 -7.403 1.00 0.00 N ATOM 78 CA ARG A 5 12.667 -5.403 -7.866 1.00 0.00 C ATOM 79 C ARG A 5 12.660 -5.936 -9.291 1.00 0.00 C ATOM 80 O ARG A 5 12.031 -6.963 -9.544 1.00 0.00 O ATOM 81 CB ARG A 5 13.590 -6.213 -6.946 1.00 0.00 C ATOM 82 CG ARG A 5 15.081 -6.065 -7.293 1.00 0.00 C ATOM 83 CD ARG A 5 15.942 -7.031 -6.468 1.00 0.00 C ATOM 84 NE ARG A 5 15.587 -8.441 -6.732 1.00 0.00 N ATOM 85 CZ ARG A 5 16.123 -9.525 -6.161 1.00 0.00 C ATOM 86 NH1 ARG A 5 17.114 -9.414 -5.278 1.00 0.00 N ATOM 87 NH2 ARG A 5 15.647 -10.717 -6.496 1.00 0.00 N ATOM 0 H ARG A 5 10.909 -6.458 -7.582 1.00 0.00 H new ATOM 0 HA ARG A 5 13.035 -4.377 -7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.431 -5.897 -5.915 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.314 -7.266 -7.003 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.231 -6.257 -8.355 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.400 -5.040 -7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.994 -6.871 -6.702 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.815 -6.816 -5.407 1.00 0.00 H new ATOM 0 HE ARG A 5 14.855 -8.605 -7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.474 -8.493 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.513 -10.250 -4.851 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.889 -10.791 -7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.039 -11.559 -6.075 1.00 0.00 H new ATOM 101 N ILE A 6 13.324 -5.261 -10.219 1.00 0.00 N ATOM 102 CA ILE A 6 13.390 -5.652 -11.618 1.00 0.00 C ATOM 103 C ILE A 6 14.861 -5.576 -12.011 1.00 0.00 C ATOM 104 O ILE A 6 15.551 -4.621 -11.653 1.00 0.00 O ATOM 105 CB ILE A 6 12.448 -4.768 -12.479 1.00 0.00 C ATOM 106 CG1 ILE A 6 10.983 -4.990 -12.034 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.597 -5.066 -13.981 1.00 0.00 C ATOM 108 CD1 ILE A 6 9.913 -4.263 -12.853 1.00 0.00 C ATOM 0 H ILE A 6 13.843 -4.407 -10.014 1.00 0.00 H new ATOM 0 HA ILE A 6 13.032 -6.667 -11.789 1.00 0.00 H new ATOM 0 HB ILE A 6 12.728 -3.726 -12.325 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.773 -6.059 -12.067 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.889 -4.678 -10.994 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.921 -4.426 -14.548 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.624 -4.872 -14.290 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.352 -6.111 -14.171 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.927 -4.493 -12.449 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.084 -3.188 -12.802 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.965 -4.590 -13.892 1.00 0.00 H new ATOM 120 N ILE A 7 15.333 -6.580 -12.744 1.00 0.00 N ATOM 121 CA ILE A 7 16.682 -6.641 -13.290 1.00 0.00 C ATOM 122 C ILE A 7 16.504 -6.553 -14.801 1.00 0.00 C ATOM 123 O ILE A 7 15.581 -7.166 -15.340 1.00 0.00 O ATOM 124 CB ILE A 7 17.402 -7.945 -12.864 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.288 -8.277 -11.357 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.880 -7.916 -13.293 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.831 -7.200 -10.410 1.00 0.00 C ATOM 0 H ILE A 7 14.770 -7.397 -12.981 1.00 0.00 H new ATOM 0 HA ILE A 7 17.312 -5.833 -12.918 1.00 0.00 H new ATOM 0 HB ILE A 7 16.879 -8.746 -13.385 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.239 -8.453 -11.118 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.820 -9.209 -11.165 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.367 -8.841 -12.984 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.942 -7.818 -14.377 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.379 -7.069 -12.822 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.706 -7.526 -9.378 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.889 -7.037 -10.613 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.284 -6.270 -10.565 1.00 0.00 H new ATOM 139 N VAL A 8 17.365 -5.804 -15.486 1.00 0.00 N ATOM 140 CA VAL A 8 17.241 -5.535 -16.912 1.00 0.00 C ATOM 141 C VAL A 8 18.629 -5.704 -17.528 1.00 0.00 C ATOM 142 O VAL A 8 19.633 -5.297 -16.931 1.00 0.00 O ATOM 143 CB VAL A 8 16.661 -4.120 -17.153 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.148 -3.992 -18.593 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.484 -3.757 -16.231 1.00 0.00 C ATOM 0 H VAL A 8 18.179 -5.362 -15.058 1.00 0.00 H new ATOM 0 HA VAL A 8 16.546 -6.230 -17.384 1.00 0.00 H new ATOM 0 HB VAL A 8 17.488 -3.442 -16.943 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.743 -2.992 -18.747 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.970 -4.162 -19.289 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.366 -4.731 -18.768 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.136 -2.751 -16.464 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.671 -4.466 -16.383 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.810 -3.796 -15.192 1.00 0.00 H new ATOM 155 N ASP A 9 18.683 -6.306 -18.715 1.00 0.00 N ATOM 156 CA ASP A 9 19.905 -6.667 -19.421 1.00 0.00 C ATOM 157 C ASP A 9 19.715 -6.441 -20.924 1.00 0.00 C ATOM 158 O ASP A 9 18.588 -6.456 -21.430 1.00 0.00 O ATOM 159 CB ASP A 9 20.236 -8.137 -19.137 1.00 0.00 C ATOM 160 CG ASP A 9 21.499 -8.586 -19.885 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.482 -7.812 -19.898 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.523 -9.714 -20.425 1.00 0.00 O ATOM 0 H ASP A 9 17.841 -6.565 -19.229 1.00 0.00 H new ATOM 0 HA ASP A 9 20.731 -6.044 -19.077 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.377 -8.278 -18.065 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.395 -8.764 -19.433 1.00 0.00 H new ATOM 167 N GLY A 10 20.818 -6.204 -21.631 1.00 0.00 N ATOM 168 CA GLY A 10 20.858 -5.866 -23.043 1.00 0.00 C ATOM 169 C GLY A 10 21.804 -4.693 -23.258 1.00 0.00 C ATOM 170 O GLY A 10 22.710 -4.455 -22.453 1.00 0.00 O ATOM 0 H GLY A 10 21.747 -6.245 -21.212 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.190 -6.726 -23.624 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.859 -5.610 -23.395 1.00 0.00 H new ATOM 174 N ARG A 11 21.574 -3.924 -24.321 1.00 0.00 N ATOM 175 CA ARG A 11 22.152 -2.592 -24.471 1.00 0.00 C ATOM 176 C ARG A 11 21.394 -1.681 -23.504 1.00 0.00 C ATOM 177 O ARG A 11 20.454 -1.009 -23.925 1.00 0.00 O ATOM 178 CB ARG A 11 22.032 -2.140 -25.939 1.00 0.00 C ATOM 179 CG ARG A 11 22.727 -0.794 -26.225 1.00 0.00 C ATOM 180 CD ARG A 11 21.953 0.051 -27.248 1.00 0.00 C ATOM 181 NE ARG A 11 21.746 -0.644 -28.531 1.00 0.00 N ATOM 182 CZ ARG A 11 20.821 -0.322 -29.446 1.00 0.00 C ATOM 183 NH1 ARG A 11 20.008 0.716 -29.262 1.00 0.00 N ATOM 184 NH2 ARG A 11 20.712 -1.051 -30.552 1.00 0.00 N ATOM 0 H ARG A 11 20.982 -4.208 -25.102 1.00 0.00 H new ATOM 0 HA ARG A 11 23.215 -2.566 -24.232 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.462 -2.907 -26.584 1.00 0.00 H new ATOM 0 HB3 ARG A 11 20.977 -2.058 -26.201 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.828 -0.234 -25.295 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.735 -0.979 -26.597 1.00 0.00 H new ATOM 0 HD2 ARG A 11 20.985 0.323 -26.828 1.00 0.00 H new ATOM 0 HD3 ARG A 11 22.494 0.980 -27.428 1.00 0.00 H new ATOM 0 HE ARG A 11 22.356 -1.434 -28.740 1.00 0.00 H new ATOM 0 HH11 ARG A 11 20.084 1.279 -28.415 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.309 0.948 -29.968 1.00 0.00 H new ATOM 0 HH21 ARG A 11 21.330 -1.849 -30.700 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.011 -0.812 -31.253 1.00 0.00 H new ATOM 198 N VAL A 12 21.731 -1.708 -22.215 1.00 0.00 N ATOM 199 CA VAL A 12 20.981 -1.005 -21.168 1.00 0.00 C ATOM 200 C VAL A 12 21.905 -0.190 -20.250 1.00 0.00 C ATOM 201 O VAL A 12 21.447 0.371 -19.257 1.00 0.00 O ATOM 202 CB VAL A 12 20.067 -1.988 -20.401 1.00 0.00 C ATOM 203 CG1 VAL A 12 19.046 -2.663 -21.332 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.848 -3.071 -19.642 1.00 0.00 C ATOM 0 H VAL A 12 22.538 -2.222 -21.862 1.00 0.00 H new ATOM 0 HA VAL A 12 20.328 -0.273 -21.644 1.00 0.00 H new ATOM 0 HB VAL A 12 19.542 -1.375 -19.669 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.423 -3.346 -20.755 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.418 -1.902 -21.795 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.573 -3.220 -22.107 1.00 0.00 H new ATOM 0 HG21 VAL A 12 20.149 -3.728 -19.125 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.441 -3.654 -20.347 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.509 -2.600 -18.915 1.00 0.00 H new ATOM 214 N GLN A 13 23.197 -0.082 -20.587 1.00 0.00 N ATOM 215 CA GLN A 13 24.143 0.841 -19.967 1.00 0.00 C ATOM 216 C GLN A 13 24.897 1.553 -21.097 1.00 0.00 C ATOM 217 O GLN A 13 24.996 1.024 -22.208 1.00 0.00 O ATOM 218 CB GLN A 13 25.100 0.108 -19.007 1.00 0.00 C ATOM 219 CG GLN A 13 24.362 -0.581 -17.846 1.00 0.00 C ATOM 220 CD GLN A 13 25.244 -0.764 -16.608 1.00 0.00 C ATOM 221 OE1 GLN A 13 25.679 0.213 -15.999 1.00 0.00 O ATOM 222 NE2 GLN A 13 25.498 -1.980 -16.166 1.00 0.00 N ATOM 0 H GLN A 13 23.620 -0.652 -21.319 1.00 0.00 H new ATOM 0 HA GLN A 13 23.615 1.572 -19.355 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.668 -0.637 -19.565 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.819 0.820 -18.603 1.00 0.00 H new ATOM 0 HG2 GLN A 13 23.485 0.009 -17.578 1.00 0.00 H new ATOM 0 HG3 GLN A 13 24.002 -1.555 -18.177 1.00 0.00 H new ATOM 0 HE21 GLN A 13 25.138 -2.791 -16.669 1.00 0.00 H new ATOM 0 HE22 GLN A 13 26.054 -2.110 -15.321 1.00 0.00 H new ATOM 231 N GLY A 14 25.381 2.771 -20.833 1.00 0.00 N ATOM 232 CA GLY A 14 25.926 3.654 -21.865 1.00 0.00 C ATOM 233 C GLY A 14 24.833 4.270 -22.752 1.00 0.00 C ATOM 234 O GLY A 14 25.130 4.731 -23.856 1.00 0.00 O ATOM 0 H GLY A 14 25.405 3.172 -19.895 1.00 0.00 H new ATOM 0 HA2 GLY A 14 26.497 4.452 -21.391 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.621 3.092 -22.489 1.00 0.00 H new ATOM 238 N VAL A 15 23.575 4.272 -22.287 1.00 0.00 N ATOM 239 CA VAL A 15 22.385 4.695 -23.038 1.00 0.00 C ATOM 240 C VAL A 15 21.450 5.548 -22.156 1.00 0.00 C ATOM 241 O VAL A 15 20.257 5.676 -22.437 1.00 0.00 O ATOM 242 CB VAL A 15 21.687 3.458 -23.661 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.484 2.898 -24.845 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.451 2.322 -22.657 1.00 0.00 C ATOM 0 H VAL A 15 23.351 3.967 -21.340 1.00 0.00 H new ATOM 0 HA VAL A 15 22.684 5.341 -23.864 1.00 0.00 H new ATOM 0 HB VAL A 15 20.717 3.824 -23.998 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.965 2.032 -25.256 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.578 3.664 -25.615 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.476 2.599 -24.507 1.00 0.00 H new ATOM 0 HG21 VAL A 15 20.960 1.489 -23.159 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.407 1.989 -22.253 1.00 0.00 H new ATOM 0 HG23 VAL A 15 20.818 2.680 -21.845 1.00 0.00 H new ATOM 254 N GLY A 16 21.981 6.113 -21.062 1.00 0.00 N ATOM 255 CA GLY A 16 21.258 7.014 -20.166 1.00 0.00 C ATOM 256 C GLY A 16 20.131 6.344 -19.379 1.00 0.00 C ATOM 257 O GLY A 16 19.310 7.045 -18.783 1.00 0.00 O ATOM 0 H GLY A 16 22.946 5.950 -20.773 1.00 0.00 H new ATOM 0 HA2 GLY A 16 21.965 7.454 -19.463 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.840 7.833 -20.752 1.00 0.00 H new ATOM 261 N PHE A 17 20.055 5.007 -19.371 1.00 0.00 N ATOM 262 CA PHE A 17 18.871 4.303 -18.893 1.00 0.00 C ATOM 263 C PHE A 17 18.571 4.598 -17.424 1.00 0.00 C ATOM 264 O PHE A 17 17.408 4.806 -17.087 1.00 0.00 O ATOM 265 CB PHE A 17 18.992 2.795 -19.159 1.00 0.00 C ATOM 266 CG PHE A 17 17.780 1.965 -18.758 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.474 2.435 -19.003 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.955 0.714 -18.133 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.358 1.681 -18.611 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.836 -0.051 -17.755 1.00 0.00 C ATOM 271 CZ PHE A 17 15.537 0.431 -17.993 1.00 0.00 C ATOM 0 H PHE A 17 20.805 4.395 -19.692 1.00 0.00 H new ATOM 0 HA PHE A 17 18.018 4.679 -19.458 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.180 2.644 -20.222 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.864 2.417 -18.625 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.331 3.385 -19.497 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.951 0.341 -17.944 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.362 2.061 -18.784 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.976 -1.011 -17.281 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.679 -0.157 -17.702 1.00 0.00 H new ATOM 281 N ARG A 18 19.575 4.700 -16.546 1.00 0.00 N ATOM 282 CA ARG A 18 19.298 4.993 -15.134 1.00 0.00 C ATOM 283 C ARG A 18 18.623 6.352 -14.957 1.00 0.00 C ATOM 284 O ARG A 18 17.763 6.474 -14.087 1.00 0.00 O ATOM 285 CB ARG A 18 20.558 4.874 -14.260 1.00 0.00 C ATOM 286 CG ARG A 18 21.047 3.418 -14.187 1.00 0.00 C ATOM 287 CD ARG A 18 21.995 3.175 -13.003 1.00 0.00 C ATOM 288 NE ARG A 18 23.341 3.732 -13.235 1.00 0.00 N ATOM 289 CZ ARG A 18 24.336 3.124 -13.896 1.00 0.00 C ATOM 290 NH1 ARG A 18 24.142 1.929 -14.450 1.00 0.00 N ATOM 291 NH2 ARG A 18 25.523 3.711 -14.005 1.00 0.00 N ATOM 0 H ARG A 18 20.562 4.588 -16.778 1.00 0.00 H new ATOM 0 HA ARG A 18 18.596 4.233 -14.790 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.347 5.506 -14.667 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.343 5.239 -13.256 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.187 2.753 -14.102 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.558 3.162 -15.116 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.570 3.621 -12.104 1.00 0.00 H new ATOM 0 HD3 ARG A 18 22.075 2.104 -12.820 1.00 0.00 H new ATOM 0 HE ARG A 18 23.531 4.661 -12.860 1.00 0.00 H new ATOM 0 HH11 ARG A 18 23.233 1.472 -14.372 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.902 1.470 -14.952 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.679 4.627 -13.585 1.00 0.00 H new ATOM 0 HH22 ARG A 18 26.278 3.245 -14.509 1.00 0.00 H new ATOM 305 N TYR A 19 18.945 7.347 -15.788 1.00 0.00 N ATOM 306 CA TYR A 19 18.257 8.634 -15.752 1.00 0.00 C ATOM 307 C TYR A 19 16.826 8.487 -16.271 1.00 0.00 C ATOM 308 O TYR A 19 15.916 9.063 -15.678 1.00 0.00 O ATOM 309 CB TYR A 19 19.028 9.689 -16.556 1.00 0.00 C ATOM 310 CG TYR A 19 20.431 9.945 -16.039 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.624 10.724 -14.882 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.544 9.389 -16.700 1.00 0.00 C ATOM 313 CE1 TYR A 19 21.921 10.943 -14.383 1.00 0.00 C ATOM 314 CE2 TYR A 19 22.843 9.602 -16.208 1.00 0.00 C ATOM 315 CZ TYR A 19 23.038 10.381 -15.043 1.00 0.00 C ATOM 316 OH TYR A 19 24.290 10.600 -14.549 1.00 0.00 O ATOM 0 H TYR A 19 19.679 7.283 -16.493 1.00 0.00 H new ATOM 0 HA TYR A 19 18.213 8.972 -14.717 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.087 9.369 -17.596 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.469 10.624 -16.541 1.00 0.00 H new ATOM 0 HD1 TYR A 19 19.773 11.155 -14.376 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.398 8.795 -17.590 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.064 11.541 -13.495 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.692 9.171 -16.719 1.00 0.00 H new ATOM 0 HH TYR A 19 24.949 10.146 -15.115 1.00 0.00 H new ATOM 326 N PHE A 20 16.601 7.687 -17.323 1.00 0.00 N ATOM 327 CA PHE A 20 15.255 7.409 -17.820 1.00 0.00 C ATOM 328 C PHE A 20 14.401 6.806 -16.700 1.00 0.00 C ATOM 329 O PHE A 20 13.332 7.331 -16.389 1.00 0.00 O ATOM 330 CB PHE A 20 15.305 6.484 -19.049 1.00 0.00 C ATOM 331 CG PHE A 20 13.972 6.327 -19.753 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.487 7.355 -20.586 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.213 5.152 -19.585 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.252 7.208 -21.244 1.00 0.00 C ATOM 335 CE2 PHE A 20 11.984 5.002 -20.251 1.00 0.00 C ATOM 336 CZ PHE A 20 11.502 6.030 -21.080 1.00 0.00 C ATOM 0 H PHE A 20 17.342 7.221 -17.846 1.00 0.00 H new ATOM 0 HA PHE A 20 14.794 8.345 -18.137 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.035 6.876 -19.757 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.659 5.501 -18.738 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.065 8.258 -20.720 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.577 4.364 -18.942 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.880 8.001 -21.876 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.410 4.096 -20.126 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.557 5.915 -21.590 1.00 0.00 H new ATOM 346 N VAL A 21 14.904 5.760 -16.039 1.00 0.00 N ATOM 347 CA VAL A 21 14.240 5.121 -14.908 1.00 0.00 C ATOM 348 C VAL A 21 13.997 6.154 -13.799 1.00 0.00 C ATOM 349 O VAL A 21 12.901 6.191 -13.242 1.00 0.00 O ATOM 350 CB VAL A 21 15.083 3.915 -14.431 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.485 3.219 -13.207 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.199 2.834 -15.515 1.00 0.00 C ATOM 0 H VAL A 21 15.797 5.330 -16.281 1.00 0.00 H new ATOM 0 HA VAL A 21 13.264 4.737 -15.204 1.00 0.00 H new ATOM 0 HB VAL A 21 16.055 4.344 -14.189 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.120 2.381 -12.919 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.421 3.927 -12.381 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.487 2.852 -13.448 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.799 2.005 -15.139 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.204 2.473 -15.777 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.676 3.256 -16.400 1.00 0.00 H new ATOM 362 N GLN A 22 14.975 7.017 -13.496 1.00 0.00 N ATOM 363 CA GLN A 22 14.842 8.013 -12.440 1.00 0.00 C ATOM 364 C GLN A 22 13.651 8.931 -12.701 1.00 0.00 C ATOM 365 O GLN A 22 12.820 9.145 -11.817 1.00 0.00 O ATOM 366 CB GLN A 22 16.146 8.827 -12.301 1.00 0.00 C ATOM 367 CG GLN A 22 16.215 9.609 -10.976 1.00 0.00 C ATOM 368 CD GLN A 22 16.350 8.717 -9.742 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.746 7.463 -9.912 1.00 0.00 O flip ATOM 370 NE2 GLN A 22 16.082 9.141 -8.626 1.00 0.00 N flip ATOM 0 H GLN A 22 15.874 7.040 -13.977 1.00 0.00 H new ATOM 0 HA GLN A 22 14.660 7.493 -11.500 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.000 8.153 -12.366 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.226 9.524 -13.135 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.062 10.294 -11.012 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.316 10.218 -10.877 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.778 10.107 -8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.162 8.528 -7.815 1.00 0.00 H new ATOM 379 N MET A 23 13.563 9.468 -13.915 1.00 0.00 N ATOM 380 CA MET A 23 12.550 10.451 -14.262 1.00 0.00 C ATOM 381 C MET A 23 11.181 9.779 -14.367 1.00 0.00 C ATOM 382 O MET A 23 10.184 10.358 -13.936 1.00 0.00 O ATOM 383 CB MET A 23 12.956 11.152 -15.564 1.00 0.00 C ATOM 384 CG MET A 23 14.267 11.930 -15.370 1.00 0.00 C ATOM 385 SD MET A 23 14.923 12.675 -16.889 1.00 0.00 S ATOM 386 CE MET A 23 16.461 13.377 -16.230 1.00 0.00 C ATOM 0 H MET A 23 14.192 9.232 -14.682 1.00 0.00 H new ATOM 0 HA MET A 23 12.474 11.208 -13.482 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.078 10.415 -16.358 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.165 11.833 -15.879 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.103 12.717 -14.634 1.00 0.00 H new ATOM 0 HG3 MET A 23 15.018 11.257 -14.955 1.00 0.00 H new ATOM 0 HE1 MET A 23 17.003 13.880 -17.030 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.226 14.095 -15.444 1.00 0.00 H new ATOM 0 HE3 MET A 23 17.079 12.578 -15.819 1.00 0.00 H new ATOM 396 N GLU A 24 11.121 8.545 -14.875 1.00 0.00 N ATOM 397 CA GLU A 24 9.876 7.796 -14.975 1.00 0.00 C ATOM 398 C GLU A 24 9.347 7.390 -13.591 1.00 0.00 C ATOM 399 O GLU A 24 8.130 7.327 -13.413 1.00 0.00 O ATOM 400 CB GLU A 24 10.058 6.582 -15.903 1.00 0.00 C ATOM 401 CG GLU A 24 10.212 6.983 -17.382 1.00 0.00 C ATOM 402 CD GLU A 24 8.932 7.623 -17.940 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.010 6.894 -18.367 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.797 8.867 -17.896 1.00 0.00 O ATOM 0 H GLU A 24 11.936 8.042 -15.227 1.00 0.00 H new ATOM 0 HA GLU A 24 9.119 8.445 -15.416 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.937 6.019 -15.590 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.200 5.918 -15.798 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.041 7.683 -17.484 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.464 6.102 -17.972 1.00 0.00 H new ATOM 411 N ALA A 25 10.220 7.166 -12.601 1.00 0.00 N ATOM 412 CA ALA A 25 9.800 6.945 -11.222 1.00 0.00 C ATOM 413 C ALA A 25 9.300 8.250 -10.604 1.00 0.00 C ATOM 414 O ALA A 25 8.276 8.253 -9.919 1.00 0.00 O ATOM 415 CB ALA A 25 10.968 6.417 -10.390 1.00 0.00 C ATOM 0 H ALA A 25 11.230 7.134 -12.737 1.00 0.00 H new ATOM 0 HA ALA A 25 8.994 6.211 -11.226 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.640 6.257 -9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.317 5.474 -10.811 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.781 7.143 -10.402 1.00 0.00 H new ATOM 421 N ASP A 26 10.018 9.354 -10.837 1.00 0.00 N ATOM 422 CA ASP A 26 9.722 10.654 -10.240 1.00 0.00 C ATOM 423 C ASP A 26 8.395 11.215 -10.742 1.00 0.00 C ATOM 424 O ASP A 26 7.578 11.652 -9.933 1.00 0.00 O ATOM 425 CB ASP A 26 10.843 11.656 -10.528 1.00 0.00 C ATOM 426 CG ASP A 26 10.463 13.053 -10.009 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.288 13.220 -8.780 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.337 13.991 -10.826 1.00 0.00 O ATOM 0 H ASP A 26 10.830 9.366 -11.454 1.00 0.00 H new ATOM 0 HA ASP A 26 9.646 10.500 -9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.766 11.324 -10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.033 11.699 -11.600 1.00 0.00 H new ATOM 433 N LYS A 27 8.112 11.137 -12.049 1.00 0.00 N ATOM 434 CA LYS A 27 6.820 11.580 -12.585 1.00 0.00 C ATOM 435 C LYS A 27 5.649 10.755 -12.042 1.00 0.00 C ATOM 436 O LYS A 27 4.503 11.190 -12.143 1.00 0.00 O ATOM 437 CB LYS A 27 6.855 11.672 -14.124 1.00 0.00 C ATOM 438 CG LYS A 27 6.924 10.342 -14.895 1.00 0.00 C ATOM 439 CD LYS A 27 5.556 9.690 -15.169 1.00 0.00 C ATOM 440 CE LYS A 27 5.685 8.413 -16.014 1.00 0.00 C ATOM 441 NZ LYS A 27 6.076 8.688 -17.417 1.00 0.00 N ATOM 0 H LYS A 27 8.757 10.773 -12.751 1.00 0.00 H new ATOM 0 HA LYS A 27 6.640 12.593 -12.224 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.966 12.210 -14.453 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.717 12.276 -14.409 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.427 10.514 -15.846 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.540 9.641 -14.331 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.072 9.451 -14.222 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.912 10.402 -15.685 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.425 7.755 -15.558 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.735 7.879 -16.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.148 7.792 -17.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.359 9.293 -17.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.996 9.172 -17.432 1.00 0.00 H new ATOM 455 N ARG A 28 5.924 9.584 -11.455 1.00 0.00 N ATOM 456 CA ARG A 28 4.933 8.701 -10.842 1.00 0.00 C ATOM 457 C ARG A 28 5.060 8.705 -9.308 1.00 0.00 C ATOM 458 O ARG A 28 4.357 7.943 -8.646 1.00 0.00 O ATOM 459 CB ARG A 28 5.105 7.294 -11.454 1.00 0.00 C ATOM 460 CG ARG A 28 3.784 6.537 -11.655 1.00 0.00 C ATOM 461 CD ARG A 28 2.961 7.105 -12.823 1.00 0.00 C ATOM 462 NE ARG A 28 1.800 6.251 -13.142 1.00 0.00 N ATOM 463 CZ ARG A 28 0.669 6.118 -12.439 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.402 6.892 -11.390 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.181 5.162 -12.781 1.00 0.00 N ATOM 0 H ARG A 28 6.873 9.216 -11.393 1.00 0.00 H new ATOM 0 HA ARG A 28 3.923 9.054 -11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.610 7.386 -12.416 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.756 6.705 -10.808 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.995 5.484 -11.840 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.195 6.588 -10.739 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.616 8.108 -12.571 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.596 7.198 -13.704 1.00 0.00 H new ATOM 0 HE ARG A 28 1.868 5.699 -13.997 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.068 7.610 -11.103 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.468 6.768 -10.873 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.033 4.546 -13.566 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.050 5.041 -12.260 1.00 0.00 H new ATOM 479 N LYS A 29 5.937 9.553 -8.748 1.00 0.00 N ATOM 480 CA LYS A 29 6.306 9.657 -7.333 1.00 0.00 C ATOM 481 C LYS A 29 6.426 8.296 -6.638 1.00 0.00 C ATOM 482 O LYS A 29 5.945 8.113 -5.516 1.00 0.00 O ATOM 483 CB LYS A 29 5.400 10.677 -6.608 1.00 0.00 C ATOM 484 CG LYS A 29 5.484 12.106 -7.183 1.00 0.00 C ATOM 485 CD LYS A 29 6.854 12.772 -6.962 1.00 0.00 C ATOM 486 CE LYS A 29 6.924 14.107 -7.712 1.00 0.00 C ATOM 487 NZ LYS A 29 8.264 14.734 -7.603 1.00 0.00 N ATOM 0 H LYS A 29 6.442 10.232 -9.317 1.00 0.00 H new ATOM 0 HA LYS A 29 7.319 10.055 -7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.367 10.334 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.672 10.704 -5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.272 12.073 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.710 12.721 -6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.018 12.936 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.648 12.110 -7.309 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.683 13.946 -8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.172 14.787 -7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.280 15.617 -8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.470 14.942 -6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.984 14.082 -7.976 1.00 0.00 H new ATOM 501 N LEU A 30 7.077 7.338 -7.303 1.00 0.00 N ATOM 502 CA LEU A 30 7.534 6.109 -6.654 1.00 0.00 C ATOM 503 C LEU A 30 8.735 6.430 -5.757 1.00 0.00 C ATOM 504 O LEU A 30 9.345 7.496 -5.888 1.00 0.00 O ATOM 505 CB LEU A 30 7.897 5.056 -7.715 1.00 0.00 C ATOM 506 CG LEU A 30 6.679 4.511 -8.487 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.163 3.551 -9.568 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.673 3.771 -7.600 1.00 0.00 C ATOM 0 H LEU A 30 7.300 7.392 -8.297 1.00 0.00 H new ATOM 0 HA LEU A 30 6.736 5.697 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.599 5.494 -8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.410 4.226 -7.230 1.00 0.00 H new ATOM 0 HG LEU A 30 6.166 5.375 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.307 3.161 -10.118 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.825 4.079 -10.254 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.704 2.725 -9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.843 3.415 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.163 2.922 -7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.296 4.449 -6.834 1.00 0.00 H new ATOM 520 N ALA A 31 9.101 5.501 -4.870 1.00 0.00 N ATOM 521 CA ALA A 31 10.276 5.605 -4.005 1.00 0.00 C ATOM 522 C ALA A 31 11.091 4.317 -4.104 1.00 0.00 C ATOM 523 O ALA A 31 10.519 3.269 -4.409 1.00 0.00 O ATOM 524 CB ALA A 31 9.836 5.867 -2.562 1.00 0.00 C ATOM 0 H ALA A 31 8.576 4.637 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 31 10.901 6.439 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.715 5.944 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.272 6.799 -2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.207 5.045 -2.218 1.00 0.00 H new ATOM 530 N GLY A 32 12.412 4.390 -3.902 1.00 0.00 N ATOM 531 CA GLY A 32 13.312 3.265 -4.147 1.00 0.00 C ATOM 532 C GLY A 32 14.637 3.703 -4.776 1.00 0.00 C ATOM 533 O GLY A 32 15.049 4.855 -4.617 1.00 0.00 O ATOM 0 H GLY A 32 12.883 5.230 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.512 2.752 -3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.821 2.547 -4.804 1.00 0.00 H new ATOM 537 N TRP A 33 15.301 2.803 -5.509 1.00 0.00 N ATOM 538 CA TRP A 33 16.569 3.070 -6.179 1.00 0.00 C ATOM 539 C TRP A 33 16.629 2.464 -7.582 1.00 0.00 C ATOM 540 O TRP A 33 15.907 1.518 -7.906 1.00 0.00 O ATOM 541 CB TRP A 33 17.751 2.567 -5.326 1.00 0.00 C ATOM 542 CG TRP A 33 17.913 1.085 -5.078 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.174 0.133 -6.009 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.947 0.378 -3.797 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.382 -1.089 -5.402 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.275 -0.990 -4.036 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.769 0.759 -2.450 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.443 -1.921 -3.003 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.918 -0.171 -1.400 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.259 -1.508 -1.673 1.00 0.00 C ATOM 0 H TRP A 33 14.962 1.852 -5.653 1.00 0.00 H new ATOM 0 HA TRP A 33 16.645 4.151 -6.293 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.668 2.921 -5.797 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.683 3.055 -4.354 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.213 0.307 -7.074 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.588 -1.953 -5.903 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.514 1.783 -2.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.711 -2.943 -3.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.769 0.146 -0.378 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.379 -2.214 -0.864 1.00 0.00 H new ATOM 561 N VAL A 34 17.592 2.934 -8.374 1.00 0.00 N ATOM 562 CA VAL A 34 18.129 2.222 -9.528 1.00 0.00 C ATOM 563 C VAL A 34 19.657 2.255 -9.419 1.00 0.00 C ATOM 564 O VAL A 34 20.222 3.277 -9.013 1.00 0.00 O ATOM 565 CB VAL A 34 17.564 2.810 -10.841 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.836 4.313 -11.022 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.094 2.066 -12.072 1.00 0.00 C ATOM 0 H VAL A 34 18.030 3.843 -8.225 1.00 0.00 H new ATOM 0 HA VAL A 34 17.820 1.177 -9.543 1.00 0.00 H new ATOM 0 HB VAL A 34 16.486 2.675 -10.755 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.408 4.649 -11.967 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.381 4.867 -10.200 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.912 4.490 -11.027 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.673 2.510 -12.974 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.181 2.142 -12.103 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.805 1.017 -12.015 1.00 0.00 H new ATOM 577 N LYS A 35 20.330 1.149 -9.758 1.00 0.00 N ATOM 578 CA LYS A 35 21.788 1.059 -9.753 1.00 0.00 C ATOM 579 C LYS A 35 22.297 0.001 -10.724 1.00 0.00 C ATOM 580 O LYS A 35 21.548 -0.868 -11.168 1.00 0.00 O ATOM 581 CB LYS A 35 22.321 0.810 -8.328 1.00 0.00 C ATOM 582 CG LYS A 35 21.783 -0.392 -7.528 1.00 0.00 C ATOM 583 CD LYS A 35 22.509 -0.415 -6.166 1.00 0.00 C ATOM 584 CE LYS A 35 21.928 -1.349 -5.094 1.00 0.00 C ATOM 585 NZ LYS A 35 22.002 -2.786 -5.442 1.00 0.00 N ATOM 0 H LYS A 35 19.870 0.285 -10.046 1.00 0.00 H new ATOM 0 HA LYS A 35 22.173 2.019 -10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.403 0.702 -8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 35 22.126 1.709 -7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.706 -0.305 -7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.958 -1.321 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.548 -0.698 -6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.517 0.599 -5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.460 -1.185 -4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.886 -1.081 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.058 -3.126 -5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.661 -2.917 -6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.339 -3.325 -4.619 1.00 0.00 H new ATOM 599 N ASN A 36 23.590 0.070 -11.042 1.00 0.00 N ATOM 600 CA ASN A 36 24.318 -1.042 -11.648 1.00 0.00 C ATOM 601 C ASN A 36 24.350 -2.192 -10.638 1.00 0.00 C ATOM 602 O ASN A 36 24.683 -1.969 -9.471 1.00 0.00 O ATOM 603 CB ASN A 36 25.749 -0.591 -11.985 1.00 0.00 C ATOM 604 CG ASN A 36 26.619 -1.765 -12.424 1.00 0.00 C ATOM 605 OD1 ASN A 36 26.471 -2.275 -13.529 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.538 -2.213 -11.585 1.00 0.00 N ATOM 0 H ASN A 36 24.162 0.900 -10.886 1.00 0.00 H new ATOM 0 HA ASN A 36 23.831 -1.368 -12.567 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.718 0.156 -12.778 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.195 -0.113 -11.113 1.00 0.00 H new ATOM 0 HD21 ASN A 36 28.137 -2.994 -11.854 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.648 -1.777 -10.669 1.00 0.00 H new ATOM 613 N ARG A 37 24.040 -3.415 -11.071 1.00 0.00 N ATOM 614 CA ARG A 37 24.256 -4.625 -10.278 1.00 0.00 C ATOM 615 C ARG A 37 25.676 -5.102 -10.574 1.00 0.00 C ATOM 616 O ARG A 37 26.140 -4.953 -11.701 1.00 0.00 O ATOM 617 CB ARG A 37 23.185 -5.669 -10.657 1.00 0.00 C ATOM 618 CG ARG A 37 23.371 -7.014 -9.935 1.00 0.00 C ATOM 619 CD ARG A 37 22.149 -7.934 -10.057 1.00 0.00 C ATOM 620 NE ARG A 37 21.158 -7.677 -8.992 1.00 0.00 N ATOM 621 CZ ARG A 37 20.387 -8.597 -8.397 1.00 0.00 C ATOM 622 NH1 ARG A 37 20.369 -9.863 -8.810 1.00 0.00 N ATOM 623 NH2 ARG A 37 19.630 -8.217 -7.378 1.00 0.00 N ATOM 0 H ARG A 37 23.630 -3.594 -11.987 1.00 0.00 H new ATOM 0 HA ARG A 37 24.160 -4.448 -9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 37 22.198 -5.270 -10.421 1.00 0.00 H new ATOM 0 HB3 ARG A 37 23.213 -5.835 -11.734 1.00 0.00 H new ATOM 0 HG2 ARG A 37 24.244 -7.522 -10.345 1.00 0.00 H new ATOM 0 HG3 ARG A 37 23.576 -6.829 -8.881 1.00 0.00 H new ATOM 0 HD2 ARG A 37 21.681 -7.789 -11.031 1.00 0.00 H new ATOM 0 HD3 ARG A 37 22.471 -8.974 -10.010 1.00 0.00 H new ATOM 0 HE ARG A 37 21.051 -6.711 -8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.951 -10.151 -9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 37 19.773 -10.544 -8.340 1.00 0.00 H new ATOM 0 HH21 ARG A 37 19.645 -7.246 -7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 37 19.033 -8.896 -6.906 1.00 0.00 H new ATOM 637 N ASP A 38 26.355 -5.703 -9.595 1.00 0.00 N ATOM 638 CA ASP A 38 27.771 -6.084 -9.702 1.00 0.00 C ATOM 639 C ASP A 38 28.060 -6.999 -10.900 1.00 0.00 C ATOM 640 O ASP A 38 29.131 -6.914 -11.501 1.00 0.00 O ATOM 641 CB ASP A 38 28.219 -6.767 -8.406 1.00 0.00 C ATOM 642 CG ASP A 38 29.690 -7.211 -8.483 1.00 0.00 C ATOM 643 OD1 ASP A 38 30.591 -6.344 -8.413 1.00 0.00 O ATOM 644 OD2 ASP A 38 29.956 -8.430 -8.574 1.00 0.00 O ATOM 0 H ASP A 38 25.937 -5.943 -8.696 1.00 0.00 H new ATOM 0 HA ASP A 38 28.336 -5.166 -9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.088 -6.082 -7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.586 -7.633 -8.212 1.00 0.00 H new ATOM 649 N ASP A 39 27.091 -7.840 -11.281 1.00 0.00 N ATOM 650 CA ASP A 39 27.176 -8.724 -12.449 1.00 0.00 C ATOM 651 C ASP A 39 27.268 -7.958 -13.781 1.00 0.00 C ATOM 652 O ASP A 39 27.738 -8.508 -14.777 1.00 0.00 O ATOM 653 CB ASP A 39 25.953 -9.649 -12.467 1.00 0.00 C ATOM 654 CG ASP A 39 26.000 -10.621 -13.657 1.00 0.00 C ATOM 655 OD1 ASP A 39 26.687 -11.664 -13.564 1.00 0.00 O ATOM 656 OD2 ASP A 39 25.328 -10.348 -14.675 1.00 0.00 O ATOM 0 H ASP A 39 26.209 -7.927 -10.776 1.00 0.00 H new ATOM 0 HA ASP A 39 28.097 -9.299 -12.355 1.00 0.00 H new ATOM 0 HB2 ASP A 39 25.909 -10.214 -11.536 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.044 -9.051 -12.520 1.00 0.00 H new ATOM 661 N GLY A 40 26.826 -6.697 -13.814 1.00 0.00 N ATOM 662 CA GLY A 40 26.844 -5.816 -14.978 1.00 0.00 C ATOM 663 C GLY A 40 25.444 -5.522 -15.527 1.00 0.00 C ATOM 664 O GLY A 40 25.320 -4.814 -16.530 1.00 0.00 O ATOM 0 H GLY A 40 26.428 -6.245 -12.990 1.00 0.00 H new ATOM 0 HA2 GLY A 40 27.327 -4.877 -14.709 1.00 0.00 H new ATOM 0 HA3 GLY A 40 27.448 -6.272 -15.763 1.00 0.00 H new ATOM 668 N ARG A 41 24.385 -6.069 -14.916 1.00 0.00 N ATOM 669 CA ARG A 41 23.008 -5.750 -15.291 1.00 0.00 C ATOM 670 C ARG A 41 22.610 -4.432 -14.625 1.00 0.00 C ATOM 671 O ARG A 41 23.355 -3.897 -13.801 1.00 0.00 O ATOM 672 CB ARG A 41 22.048 -6.888 -14.889 1.00 0.00 C ATOM 673 CG ARG A 41 22.393 -8.317 -15.357 1.00 0.00 C ATOM 674 CD ARG A 41 23.008 -8.453 -16.762 1.00 0.00 C ATOM 675 NE ARG A 41 24.467 -8.643 -16.707 1.00 0.00 N ATOM 676 CZ ARG A 41 25.368 -8.303 -17.638 1.00 0.00 C ATOM 677 NH1 ARG A 41 24.999 -7.824 -18.822 1.00 0.00 N ATOM 678 NH2 ARG A 41 26.661 -8.443 -17.368 1.00 0.00 N ATOM 0 H ARG A 41 24.461 -6.741 -14.152 1.00 0.00 H new ATOM 0 HA ARG A 41 22.941 -5.643 -16.374 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.978 -6.899 -13.801 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.057 -6.641 -15.270 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.087 -8.753 -14.638 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.482 -8.915 -15.324 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.551 -9.298 -17.278 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.780 -7.561 -17.346 1.00 0.00 H new ATOM 0 HE ARG A 41 24.834 -9.084 -15.863 1.00 0.00 H new ATOM 0 HH11 ARG A 41 24.009 -7.708 -19.039 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.706 -7.573 -19.513 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.956 -8.805 -16.461 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.359 -8.188 -18.067 1.00 0.00 H new ATOM 692 N VAL A 42 21.415 -3.931 -14.921 1.00 0.00 N ATOM 693 CA VAL A 42 20.827 -2.825 -14.169 1.00 0.00 C ATOM 694 C VAL A 42 19.802 -3.446 -13.225 1.00 0.00 C ATOM 695 O VAL A 42 19.118 -4.405 -13.591 1.00 0.00 O ATOM 696 CB VAL A 42 20.238 -1.768 -15.127 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.626 -0.580 -14.367 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.340 -1.218 -16.045 1.00 0.00 C ATOM 0 H VAL A 42 20.830 -4.276 -15.682 1.00 0.00 H new ATOM 0 HA VAL A 42 21.567 -2.281 -13.582 1.00 0.00 H new ATOM 0 HB VAL A 42 19.457 -2.265 -15.703 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.223 0.140 -15.080 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.825 -0.936 -13.719 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.395 -0.100 -13.762 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.915 -0.473 -16.718 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.121 -0.757 -15.440 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.767 -2.033 -16.630 1.00 0.00 H new ATOM 708 N GLU A 43 19.690 -2.894 -12.020 1.00 0.00 N ATOM 709 CA GLU A 43 18.741 -3.290 -10.996 1.00 0.00 C ATOM 710 C GLU A 43 17.931 -2.051 -10.641 1.00 0.00 C ATOM 711 O GLU A 43 18.482 -0.965 -10.449 1.00 0.00 O ATOM 712 CB GLU A 43 19.501 -3.818 -9.771 1.00 0.00 C ATOM 713 CG GLU A 43 18.597 -4.061 -8.550 1.00 0.00 C ATOM 714 CD GLU A 43 19.438 -4.384 -7.320 1.00 0.00 C ATOM 715 OE1 GLU A 43 19.982 -5.508 -7.234 1.00 0.00 O ATOM 716 OE2 GLU A 43 19.574 -3.485 -6.459 1.00 0.00 O ATOM 0 H GLU A 43 20.288 -2.123 -11.722 1.00 0.00 H new ATOM 0 HA GLU A 43 18.081 -4.085 -11.344 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.000 -4.750 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.280 -3.105 -9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.988 -3.178 -8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.911 -4.883 -8.755 1.00 0.00 H new ATOM 723 N ILE A 44 16.624 -2.236 -10.522 1.00 0.00 N ATOM 724 CA ILE A 44 15.640 -1.233 -10.175 1.00 0.00 C ATOM 725 C ILE A 44 14.887 -1.849 -8.996 1.00 0.00 C ATOM 726 O ILE A 44 14.581 -3.042 -9.026 1.00 0.00 O ATOM 727 CB ILE A 44 14.723 -1.010 -11.398 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.516 -0.675 -12.689 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.685 0.092 -11.119 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.721 -1.008 -13.942 1.00 0.00 C ATOM 0 H ILE A 44 16.200 -3.151 -10.676 1.00 0.00 H new ATOM 0 HA ILE A 44 16.055 -0.261 -9.909 1.00 0.00 H new ATOM 0 HB ILE A 44 14.207 -1.955 -11.567 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.774 0.384 -12.693 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.453 -1.231 -12.695 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.053 0.228 -11.997 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.067 -0.197 -10.269 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.198 1.027 -10.894 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.311 -0.759 -14.824 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.486 -2.072 -13.952 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.796 -0.432 -13.950 1.00 0.00 H new ATOM 742 N LEU A 45 14.577 -1.073 -7.964 1.00 0.00 N ATOM 743 CA LEU A 45 13.833 -1.542 -6.802 1.00 0.00 C ATOM 744 C LEU A 45 12.951 -0.377 -6.395 1.00 0.00 C ATOM 745 O LEU A 45 13.476 0.696 -6.107 1.00 0.00 O ATOM 746 CB LEU A 45 14.819 -1.974 -5.702 1.00 0.00 C ATOM 747 CG LEU A 45 14.204 -2.896 -4.633 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.320 -3.404 -3.716 1.00 0.00 C ATOM 749 CD2 LEU A 45 13.126 -2.225 -3.772 1.00 0.00 C ATOM 0 H LEU A 45 14.839 -0.089 -7.910 1.00 0.00 H new ATOM 0 HA LEU A 45 13.216 -2.418 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.663 -2.485 -6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.215 -1.083 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 45 13.713 -3.708 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.896 -4.058 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.051 -3.959 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.809 -2.557 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.744 -2.941 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.557 -1.371 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.310 -1.885 -4.410 1.00 0.00 H new ATOM 761 N ALA A 46 11.630 -0.547 -6.435 1.00 0.00 N ATOM 762 CA ALA A 46 10.684 0.547 -6.276 1.00 0.00 C ATOM 763 C ALA A 46 9.454 0.075 -5.514 1.00 0.00 C ATOM 764 O ALA A 46 9.079 -1.094 -5.597 1.00 0.00 O ATOM 765 CB ALA A 46 10.265 1.069 -7.655 1.00 0.00 C ATOM 0 H ALA A 46 11.188 -1.455 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 46 11.163 1.348 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.556 1.888 -7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.144 1.426 -8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.796 0.264 -8.221 1.00 0.00 H new ATOM 771 N GLU A 47 8.796 1.002 -4.824 1.00 0.00 N ATOM 772 CA GLU A 47 7.535 0.778 -4.136 1.00 0.00 C ATOM 773 C GLU A 47 6.598 1.969 -4.293 1.00 0.00 C ATOM 774 O GLU A 47 7.040 3.102 -4.521 1.00 0.00 O ATOM 775 CB GLU A 47 7.794 0.459 -2.662 1.00 0.00 C ATOM 776 CG GLU A 47 8.547 1.550 -1.883 1.00 0.00 C ATOM 777 CD GLU A 47 8.909 1.065 -0.476 1.00 0.00 C ATOM 778 OE1 GLU A 47 9.177 -0.147 -0.320 1.00 0.00 O ATOM 779 OE2 GLU A 47 8.964 1.888 0.466 1.00 0.00 O ATOM 0 H GLU A 47 9.139 1.958 -4.727 1.00 0.00 H new ATOM 0 HA GLU A 47 7.038 -0.079 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.838 0.278 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.364 -0.468 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.454 1.827 -2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.930 2.446 -1.816 1.00 0.00 H new ATOM 786 N GLY A 48 5.299 1.688 -4.173 1.00 0.00 N ATOM 787 CA GLY A 48 4.227 2.655 -4.345 1.00 0.00 C ATOM 788 C GLY A 48 2.901 1.955 -4.653 1.00 0.00 C ATOM 789 O GLY A 48 2.781 0.746 -4.415 1.00 0.00 O ATOM 0 H GLY A 48 4.960 0.753 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.124 3.254 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.477 3.340 -5.155 1.00 0.00 H new ATOM 793 N PRO A 49 1.890 2.701 -5.136 1.00 0.00 N ATOM 794 CA PRO A 49 0.618 2.149 -5.590 1.00 0.00 C ATOM 795 C PRO A 49 0.807 1.097 -6.687 1.00 0.00 C ATOM 796 O PRO A 49 1.686 1.229 -7.539 1.00 0.00 O ATOM 797 CB PRO A 49 -0.191 3.344 -6.114 1.00 0.00 C ATOM 798 CG PRO A 49 0.416 4.544 -5.391 1.00 0.00 C ATOM 799 CD PRO A 49 1.884 4.153 -5.242 1.00 0.00 C ATOM 0 HA PRO A 49 0.107 1.636 -4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.102 3.443 -7.196 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.252 3.237 -5.889 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.300 5.462 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.056 4.713 -4.423 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.468 4.486 -6.100 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.325 4.613 -4.358 1.00 0.00 H new ATOM 807 N GLU A 50 -0.068 0.092 -6.728 1.00 0.00 N ATOM 808 CA GLU A 50 0.010 -0.991 -7.707 1.00 0.00 C ATOM 809 C GLU A 50 -0.160 -0.460 -9.140 1.00 0.00 C ATOM 810 O GLU A 50 0.482 -0.956 -10.066 1.00 0.00 O ATOM 811 CB GLU A 50 -1.057 -2.045 -7.358 1.00 0.00 C ATOM 812 CG GLU A 50 -0.883 -3.358 -8.132 1.00 0.00 C ATOM 813 CD GLU A 50 -2.053 -4.325 -7.872 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.107 -4.203 -8.538 1.00 0.00 O ATOM 815 OE2 GLU A 50 -1.932 -5.227 -7.013 1.00 0.00 O ATOM 0 H GLU A 50 -0.852 0.006 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 50 0.996 -1.453 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.017 -2.253 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.045 -1.636 -7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.815 -3.146 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.054 -3.832 -7.840 1.00 0.00 H new ATOM 822 N ASN A 51 -1.004 0.558 -9.351 1.00 0.00 N ATOM 823 CA ASN A 51 -1.180 1.160 -10.678 1.00 0.00 C ATOM 824 C ASN A 51 0.062 1.960 -11.089 1.00 0.00 C ATOM 825 O ASN A 51 0.476 1.895 -12.247 1.00 0.00 O ATOM 826 CB ASN A 51 -2.465 2.008 -10.764 1.00 0.00 C ATOM 827 CG ASN A 51 -2.355 3.390 -10.125 1.00 0.00 C ATOM 828 OD1 ASN A 51 -1.912 4.342 -10.760 1.00 0.00 O ATOM 829 ND2 ASN A 51 -2.731 3.535 -8.866 1.00 0.00 N ATOM 0 H ASN A 51 -1.575 0.982 -8.620 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.299 0.345 -11.393 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.737 2.127 -11.813 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.278 1.463 -10.284 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.654 4.445 -8.412 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.098 2.736 -8.348 1.00 0.00 H new ATOM 836 N ALA A 52 0.695 2.660 -10.139 1.00 0.00 N ATOM 837 CA ALA A 52 1.917 3.412 -10.392 1.00 0.00 C ATOM 838 C ALA A 52 3.044 2.459 -10.778 1.00 0.00 C ATOM 839 O ALA A 52 3.760 2.707 -11.748 1.00 0.00 O ATOM 840 CB ALA A 52 2.286 4.238 -9.155 1.00 0.00 C ATOM 0 H ALA A 52 0.369 2.717 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 52 1.756 4.099 -11.223 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.201 4.798 -9.351 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.477 4.932 -8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.443 3.572 -8.306 1.00 0.00 H new ATOM 846 N LEU A 53 3.167 1.347 -10.049 1.00 0.00 N ATOM 847 CA LEU A 53 4.146 0.316 -10.335 1.00 0.00 C ATOM 848 C LEU A 53 3.895 -0.285 -11.718 1.00 0.00 C ATOM 849 O LEU A 53 4.851 -0.439 -12.467 1.00 0.00 O ATOM 850 CB LEU A 53 4.115 -0.750 -9.230 1.00 0.00 C ATOM 851 CG LEU A 53 4.726 -0.277 -7.894 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.441 -1.318 -6.811 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.242 -0.043 -7.963 1.00 0.00 C ATOM 0 H LEU A 53 2.582 1.143 -9.239 1.00 0.00 H new ATOM 0 HA LEU A 53 5.144 0.753 -10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.082 -1.054 -9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.654 -1.633 -9.574 1.00 0.00 H new ATOM 0 HG LEU A 53 4.261 0.681 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.871 -0.987 -5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.364 -1.439 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.885 -2.272 -7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.604 0.288 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.741 -0.972 -8.239 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.459 0.721 -8.709 1.00 0.00 H new ATOM 865 N GLN A 54 2.648 -0.576 -12.108 1.00 0.00 N ATOM 866 CA GLN A 54 2.362 -1.110 -13.443 1.00 0.00 C ATOM 867 C GLN A 54 2.808 -0.140 -14.545 1.00 0.00 C ATOM 868 O GLN A 54 3.517 -0.560 -15.467 1.00 0.00 O ATOM 869 CB GLN A 54 0.873 -1.456 -13.576 1.00 0.00 C ATOM 870 CG GLN A 54 0.537 -2.776 -12.869 1.00 0.00 C ATOM 871 CD GLN A 54 -0.973 -2.950 -12.729 1.00 0.00 C ATOM 872 OE1 GLN A 54 -1.637 -3.558 -13.567 1.00 0.00 O ATOM 873 NE2 GLN A 54 -1.543 -2.402 -11.670 1.00 0.00 N ATOM 0 H GLN A 54 1.824 -0.451 -11.520 1.00 0.00 H new ATOM 0 HA GLN A 54 2.938 -2.027 -13.569 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.272 -0.652 -13.152 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.608 -1.529 -14.631 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.953 -3.611 -13.433 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.002 -2.794 -11.883 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.975 -1.902 -10.986 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.551 -2.479 -11.536 1.00 0.00 H new ATOM 882 N SER A 55 2.470 1.153 -14.433 1.00 0.00 N ATOM 883 CA SER A 55 2.964 2.149 -15.384 1.00 0.00 C ATOM 884 C SER A 55 4.495 2.146 -15.430 1.00 0.00 C ATOM 885 O SER A 55 5.092 2.289 -16.498 1.00 0.00 O ATOM 886 CB SER A 55 2.480 3.548 -14.997 1.00 0.00 C ATOM 887 OG SER A 55 1.076 3.603 -14.815 1.00 0.00 O ATOM 0 H SER A 55 1.864 1.526 -13.702 1.00 0.00 H new ATOM 0 HA SER A 55 2.574 1.888 -16.368 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.975 3.859 -14.077 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.771 4.257 -15.772 1.00 0.00 H new ATOM 0 HG SER A 55 0.709 4.355 -15.325 1.00 0.00 H new ATOM 893 N PHE A 56 5.140 1.967 -14.278 1.00 0.00 N ATOM 894 CA PHE A 56 6.582 1.946 -14.196 1.00 0.00 C ATOM 895 C PHE A 56 7.164 0.686 -14.847 1.00 0.00 C ATOM 896 O PHE A 56 8.196 0.815 -15.498 1.00 0.00 O ATOM 897 CB PHE A 56 7.016 2.162 -12.745 1.00 0.00 C ATOM 898 CG PHE A 56 8.484 2.482 -12.532 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.118 3.486 -13.294 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.201 1.837 -11.506 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.464 3.805 -13.052 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.542 2.162 -11.261 1.00 0.00 C ATOM 903 CZ PHE A 56 11.170 3.151 -12.029 1.00 0.00 C ATOM 0 H PHE A 56 4.670 1.834 -13.383 1.00 0.00 H new ATOM 0 HA PHE A 56 6.997 2.771 -14.775 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.423 2.975 -12.326 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.774 1.264 -12.176 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.569 4.009 -14.063 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.713 1.085 -10.903 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.957 4.554 -13.653 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.090 1.652 -10.483 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.200 3.411 -11.834 1.00 0.00 H new ATOM 913 N VAL A 57 6.513 -0.487 -14.803 1.00 0.00 N ATOM 914 CA VAL A 57 6.974 -1.627 -15.602 1.00 0.00 C ATOM 915 C VAL A 57 6.860 -1.269 -17.081 1.00 0.00 C ATOM 916 O VAL A 57 7.798 -1.535 -17.829 1.00 0.00 O ATOM 917 CB VAL A 57 6.229 -2.953 -15.328 1.00 0.00 C ATOM 918 CG1 VAL A 57 6.975 -4.119 -16.004 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.109 -3.303 -13.844 1.00 0.00 C ATOM 0 H VAL A 57 5.685 -0.667 -14.236 1.00 0.00 H new ATOM 0 HA VAL A 57 8.008 -1.810 -15.309 1.00 0.00 H new ATOM 0 HB VAL A 57 5.225 -2.809 -15.728 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.446 -5.052 -15.808 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.021 -3.947 -17.079 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.987 -4.185 -15.604 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.574 -4.246 -13.735 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.105 -3.398 -13.411 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.562 -2.514 -13.327 1.00 0.00 H new ATOM 929 N GLU A 58 5.747 -0.664 -17.516 1.00 0.00 N ATOM 930 CA GLU A 58 5.567 -0.299 -18.921 1.00 0.00 C ATOM 931 C GLU A 58 6.668 0.665 -19.387 1.00 0.00 C ATOM 932 O GLU A 58 7.139 0.553 -20.521 1.00 0.00 O ATOM 933 CB GLU A 58 4.165 0.278 -19.173 1.00 0.00 C ATOM 934 CG GLU A 58 3.078 -0.798 -19.065 1.00 0.00 C ATOM 935 CD GLU A 58 1.687 -0.232 -19.408 1.00 0.00 C ATOM 936 OE1 GLU A 58 0.996 0.300 -18.511 1.00 0.00 O ATOM 937 OE2 GLU A 58 1.262 -0.330 -20.582 1.00 0.00 O ATOM 0 H GLU A 58 4.961 -0.419 -16.914 1.00 0.00 H new ATOM 0 HA GLU A 58 5.654 -1.208 -19.516 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.964 1.071 -18.453 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.131 0.731 -20.164 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.313 -1.622 -19.738 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.067 -1.205 -18.054 1.00 0.00 H new ATOM 944 N ALA A 59 7.123 1.570 -18.514 1.00 0.00 N ATOM 945 CA ALA A 59 8.274 2.413 -18.779 1.00 0.00 C ATOM 946 C ALA A 59 9.568 1.588 -18.834 1.00 0.00 C ATOM 947 O ALA A 59 10.311 1.662 -19.811 1.00 0.00 O ATOM 948 CB ALA A 59 8.374 3.510 -17.713 1.00 0.00 C ATOM 0 H ALA A 59 6.695 1.732 -17.602 1.00 0.00 H new ATOM 0 HA ALA A 59 8.141 2.880 -19.755 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.240 4.139 -17.918 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.470 4.119 -17.732 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.483 3.053 -16.729 1.00 0.00 H new ATOM 954 N VAL A 60 9.846 0.796 -17.796 1.00 0.00 N ATOM 955 CA VAL A 60 11.105 0.084 -17.619 1.00 0.00 C ATOM 956 C VAL A 60 11.334 -0.918 -18.751 1.00 0.00 C ATOM 957 O VAL A 60 12.445 -0.990 -19.276 1.00 0.00 O ATOM 958 CB VAL A 60 11.107 -0.561 -16.213 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.149 -1.674 -16.038 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.368 0.519 -15.148 1.00 0.00 C ATOM 0 H VAL A 60 9.183 0.631 -17.039 1.00 0.00 H new ATOM 0 HA VAL A 60 11.947 0.774 -17.675 1.00 0.00 H new ATOM 0 HB VAL A 60 10.124 -1.017 -16.094 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.087 -2.075 -15.026 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.955 -2.470 -16.757 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.147 -1.268 -16.207 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.369 0.062 -14.159 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.335 0.986 -15.333 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.585 1.275 -15.197 1.00 0.00 H new ATOM 970 N LYS A 61 10.307 -1.667 -19.170 1.00 0.00 N ATOM 971 CA LYS A 61 10.466 -2.709 -20.187 1.00 0.00 C ATOM 972 C LYS A 61 10.872 -2.142 -21.553 1.00 0.00 C ATOM 973 O LYS A 61 11.389 -2.891 -22.381 1.00 0.00 O ATOM 974 CB LYS A 61 9.216 -3.605 -20.253 1.00 0.00 C ATOM 975 CG LYS A 61 7.977 -2.938 -20.878 1.00 0.00 C ATOM 976 CD LYS A 61 6.786 -3.899 -21.010 1.00 0.00 C ATOM 977 CE LYS A 61 6.247 -4.401 -19.663 1.00 0.00 C ATOM 978 NZ LYS A 61 5.074 -5.297 -19.831 1.00 0.00 N ATOM 0 H LYS A 61 9.355 -1.569 -18.818 1.00 0.00 H new ATOM 0 HA LYS A 61 11.299 -3.343 -19.883 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.458 -4.500 -20.826 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.966 -3.931 -19.243 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.683 -2.084 -20.268 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.237 -2.551 -21.863 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.983 -3.396 -21.548 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.087 -4.756 -21.613 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.037 -4.933 -19.132 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.966 -3.548 -19.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.742 -5.613 -18.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.310 -4.782 -20.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.347 -6.124 -20.399 1.00 0.00 H new ATOM 992 N ASN A 62 10.665 -0.842 -21.800 1.00 0.00 N ATOM 993 CA ASN A 62 11.128 -0.187 -23.022 1.00 0.00 C ATOM 994 C ASN A 62 12.657 -0.069 -23.059 1.00 0.00 C ATOM 995 O ASN A 62 13.239 -0.015 -24.142 1.00 0.00 O ATOM 996 CB ASN A 62 10.516 1.220 -23.130 1.00 0.00 C ATOM 997 CG ASN A 62 10.880 1.892 -24.452 1.00 0.00 C ATOM 998 OD1 ASN A 62 10.336 1.559 -25.501 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.788 2.853 -24.429 1.00 0.00 N ATOM 0 H ASN A 62 10.173 -0.220 -21.158 1.00 0.00 H new ATOM 0 HA ASN A 62 10.808 -0.803 -23.862 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.432 1.153 -23.042 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.866 1.834 -22.300 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.047 3.331 -25.292 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.230 3.116 -23.548 1.00 0.00 H new ATOM 1006 N GLY A 63 13.314 -0.003 -21.895 1.00 0.00 N ATOM 1007 CA GLY A 63 14.625 0.625 -21.785 1.00 0.00 C ATOM 1008 C GLY A 63 14.482 2.141 -21.981 1.00 0.00 C ATOM 1009 O GLY A 63 13.363 2.654 -22.084 1.00 0.00 O ATOM 0 H GLY A 63 12.954 -0.379 -21.018 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.061 0.413 -20.809 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.302 0.213 -22.533 1.00 0.00 H new ATOM 1013 N SER A 64 15.588 2.884 -22.062 1.00 0.00 N ATOM 1014 CA SER A 64 15.514 4.217 -22.655 1.00 0.00 C ATOM 1015 C SER A 64 15.189 4.065 -24.151 1.00 0.00 C ATOM 1016 O SER A 64 15.452 3.006 -24.731 1.00 0.00 O ATOM 1017 CB SER A 64 16.821 4.991 -22.435 1.00 0.00 C ATOM 1018 OG SER A 64 17.914 4.384 -23.099 1.00 0.00 O ATOM 0 H SER A 64 16.512 2.598 -21.737 1.00 0.00 H new ATOM 0 HA SER A 64 14.726 4.795 -22.172 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.702 6.014 -22.793 1.00 0.00 H new ATOM 0 HB3 SER A 64 17.032 5.050 -21.367 1.00 0.00 H new ATOM 0 HG SER A 64 18.753 4.764 -22.763 1.00 0.00 H new ATOM 1024 N PRO A 65 14.705 5.118 -24.827 1.00 0.00 N ATOM 1025 CA PRO A 65 14.689 5.205 -26.284 1.00 0.00 C ATOM 1026 C PRO A 65 16.015 4.821 -26.972 1.00 0.00 C ATOM 1027 O PRO A 65 15.992 4.415 -28.136 1.00 0.00 O ATOM 1028 CB PRO A 65 14.299 6.655 -26.584 1.00 0.00 C ATOM 1029 CG PRO A 65 13.406 7.025 -25.399 1.00 0.00 C ATOM 1030 CD PRO A 65 14.029 6.259 -24.231 1.00 0.00 C ATOM 0 HA PRO A 65 13.987 4.477 -26.690 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.173 7.303 -26.648 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.768 6.742 -27.532 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.403 8.100 -25.218 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.371 6.728 -25.568 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.730 6.886 -23.681 1.00 0.00 H new ATOM 0 HD3 PRO A 65 13.266 5.936 -23.523 1.00 0.00 H new ATOM 1038 N PHE A 66 17.158 4.933 -26.282 1.00 0.00 N ATOM 1039 CA PHE A 66 18.475 4.582 -26.814 1.00 0.00 C ATOM 1040 C PHE A 66 18.865 3.131 -26.490 1.00 0.00 C ATOM 1041 O PHE A 66 19.766 2.581 -27.127 1.00 0.00 O ATOM 1042 CB PHE A 66 19.519 5.549 -26.236 1.00 0.00 C ATOM 1043 CG PHE A 66 19.174 7.020 -26.393 1.00 0.00 C ATOM 1044 CD1 PHE A 66 19.206 7.625 -27.665 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.794 7.780 -25.268 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.858 8.980 -27.810 1.00 0.00 C ATOM 1047 CE2 PHE A 66 18.446 9.135 -25.416 1.00 0.00 C ATOM 1048 CZ PHE A 66 18.477 9.735 -26.687 1.00 0.00 C ATOM 0 H PHE A 66 17.190 5.276 -25.322 1.00 0.00 H new ATOM 0 HA PHE A 66 18.437 4.667 -27.900 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.649 5.331 -25.176 1.00 0.00 H new ATOM 0 HB3 PHE A 66 20.477 5.360 -26.720 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.498 7.048 -28.530 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.770 7.321 -24.291 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.884 9.441 -28.786 1.00 0.00 H new ATOM 0 HE2 PHE A 66 18.155 9.715 -24.553 1.00 0.00 H new ATOM 0 HZ PHE A 66 18.208 10.775 -26.801 1.00 0.00 H new ATOM 1058 N SER A 67 18.216 2.504 -25.507 1.00 0.00 N ATOM 1059 CA SER A 67 18.501 1.142 -25.082 1.00 0.00 C ATOM 1060 C SER A 67 18.000 0.105 -26.097 1.00 0.00 C ATOM 1061 O SER A 67 17.222 0.410 -27.006 1.00 0.00 O ATOM 1062 CB SER A 67 17.817 0.880 -23.734 1.00 0.00 C ATOM 1063 OG SER A 67 18.270 1.743 -22.709 1.00 0.00 O ATOM 0 H SER A 67 17.463 2.942 -24.976 1.00 0.00 H new ATOM 0 HA SER A 67 19.583 1.042 -24.999 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.740 0.997 -23.850 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.995 -0.153 -23.437 1.00 0.00 H new ATOM 0 HG SER A 67 18.208 2.673 -23.013 1.00 0.00 H new ATOM 1069 N LYS A 68 18.380 -1.154 -25.866 1.00 0.00 N ATOM 1070 CA LYS A 68 17.715 -2.345 -26.379 1.00 0.00 C ATOM 1071 C LYS A 68 17.746 -3.356 -25.239 1.00 0.00 C ATOM 1072 O LYS A 68 18.780 -3.983 -25.005 1.00 0.00 O ATOM 1073 CB LYS A 68 18.411 -2.869 -27.651 1.00 0.00 C ATOM 1074 CG LYS A 68 17.641 -4.053 -28.262 1.00 0.00 C ATOM 1075 CD LYS A 68 18.444 -4.717 -29.390 1.00 0.00 C ATOM 1076 CE LYS A 68 17.690 -5.887 -30.043 1.00 0.00 C ATOM 1077 NZ LYS A 68 16.507 -5.454 -30.833 1.00 0.00 N ATOM 0 H LYS A 68 19.194 -1.376 -25.292 1.00 0.00 H new ATOM 0 HA LYS A 68 16.689 -2.139 -26.683 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.488 -2.065 -28.383 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.428 -3.179 -27.410 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.423 -4.787 -27.486 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.683 -3.706 -28.650 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.680 -3.972 -30.150 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.392 -5.078 -28.992 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.373 -6.433 -30.694 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.366 -6.581 -29.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.042 -6.287 -31.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.837 -4.957 -30.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.813 -4.814 -31.594 1.00 0.00 H new ATOM 1091 N VAL A 69 16.649 -3.475 -24.494 1.00 0.00 N ATOM 1092 CA VAL A 69 16.476 -4.569 -23.543 1.00 0.00 C ATOM 1093 C VAL A 69 16.456 -5.866 -24.358 1.00 0.00 C ATOM 1094 O VAL A 69 15.768 -5.934 -25.381 1.00 0.00 O ATOM 1095 CB VAL A 69 15.172 -4.383 -22.730 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.980 -5.502 -21.693 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.145 -3.024 -22.009 1.00 0.00 C ATOM 0 H VAL A 69 15.864 -2.824 -24.532 1.00 0.00 H new ATOM 0 HA VAL A 69 17.289 -4.594 -22.817 1.00 0.00 H new ATOM 0 HB VAL A 69 14.355 -4.424 -23.451 1.00 0.00 H new ATOM 0 HG11 VAL A 69 14.053 -5.334 -21.144 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.931 -6.465 -22.202 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.819 -5.501 -20.997 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.215 -2.928 -21.448 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.990 -2.959 -21.324 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.210 -2.221 -22.743 1.00 0.00 H new ATOM 1107 N THR A 70 17.169 -6.893 -23.903 1.00 0.00 N ATOM 1108 CA THR A 70 17.144 -8.224 -24.503 1.00 0.00 C ATOM 1109 C THR A 70 16.713 -9.279 -23.473 1.00 0.00 C ATOM 1110 O THR A 70 16.282 -10.365 -23.868 1.00 0.00 O ATOM 1111 CB THR A 70 18.508 -8.535 -25.146 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.529 -8.491 -24.171 1.00 0.00 O ATOM 1113 CG2 THR A 70 18.863 -7.529 -26.251 1.00 0.00 C ATOM 0 H THR A 70 17.789 -6.823 -23.096 1.00 0.00 H new ATOM 0 HA THR A 70 16.399 -8.251 -25.298 1.00 0.00 H new ATOM 0 HB THR A 70 18.432 -9.531 -25.582 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.391 -8.692 -24.591 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.833 -7.785 -26.678 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.103 -7.562 -27.031 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.906 -6.525 -25.829 1.00 0.00 H new ATOM 1121 N ASP A 71 16.748 -8.965 -22.170 1.00 0.00 N ATOM 1122 CA ASP A 71 16.219 -9.813 -21.106 1.00 0.00 C ATOM 1123 C ASP A 71 15.836 -8.940 -19.908 1.00 0.00 C ATOM 1124 O ASP A 71 16.455 -7.902 -19.663 1.00 0.00 O ATOM 1125 CB ASP A 71 17.264 -10.862 -20.697 1.00 0.00 C ATOM 1126 CG ASP A 71 16.772 -11.732 -19.531 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.716 -12.388 -19.674 1.00 0.00 O ATOM 1128 OD2 ASP A 71 17.454 -11.787 -18.484 1.00 0.00 O ATOM 0 H ASP A 71 17.154 -8.095 -21.825 1.00 0.00 H new ATOM 0 HA ASP A 71 15.333 -10.337 -21.464 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.496 -11.497 -21.552 1.00 0.00 H new ATOM 0 HB3 ASP A 71 18.189 -10.361 -20.412 1.00 0.00 H new ATOM 1133 N ILE A 72 14.804 -9.349 -19.173 1.00 0.00 N ATOM 1134 CA ILE A 72 14.262 -8.651 -18.014 1.00 0.00 C ATOM 1135 C ILE A 72 13.709 -9.708 -17.043 1.00 0.00 C ATOM 1136 O ILE A 72 13.166 -10.728 -17.483 1.00 0.00 O ATOM 1137 CB ILE A 72 13.223 -7.597 -18.484 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.630 -6.815 -17.292 1.00 0.00 C ATOM 1139 CG2 ILE A 72 12.107 -8.192 -19.371 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.868 -5.546 -17.703 1.00 0.00 C ATOM 0 H ILE A 72 14.303 -10.213 -19.379 1.00 0.00 H new ATOM 0 HA ILE A 72 15.022 -8.087 -17.474 1.00 0.00 H new ATOM 0 HB ILE A 72 13.773 -6.897 -19.113 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.956 -7.469 -16.739 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.436 -6.540 -16.612 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.415 -7.402 -19.664 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.549 -8.637 -20.263 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.568 -8.957 -18.813 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.480 -5.050 -16.813 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.543 -4.871 -18.230 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.040 -5.815 -18.358 1.00 0.00 H new ATOM 1152 N SER A 73 13.839 -9.464 -15.738 1.00 0.00 N ATOM 1153 CA SER A 73 13.466 -10.379 -14.657 1.00 0.00 C ATOM 1154 C SER A 73 12.839 -9.568 -13.521 1.00 0.00 C ATOM 1155 O SER A 73 13.152 -8.385 -13.381 1.00 0.00 O ATOM 1156 CB SER A 73 14.717 -11.119 -14.157 1.00 0.00 C ATOM 1157 OG SER A 73 15.351 -11.839 -15.205 1.00 0.00 O ATOM 0 H SER A 73 14.224 -8.586 -15.390 1.00 0.00 H new ATOM 0 HA SER A 73 12.746 -11.114 -15.017 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.419 -10.402 -13.731 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.439 -11.807 -13.358 1.00 0.00 H new ATOM 0 HG SER A 73 16.143 -12.297 -14.855 1.00 0.00 H new ATOM 1163 N VAL A 74 11.967 -10.178 -12.711 1.00 0.00 N ATOM 1164 CA VAL A 74 11.111 -9.475 -11.752 1.00 0.00 C ATOM 1165 C VAL A 74 11.064 -10.261 -10.433 1.00 0.00 C ATOM 1166 O VAL A 74 11.088 -11.495 -10.429 1.00 0.00 O ATOM 1167 CB VAL A 74 9.695 -9.281 -12.360 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.766 -8.470 -11.438 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.729 -8.585 -13.734 1.00 0.00 C ATOM 0 H VAL A 74 11.835 -11.189 -12.704 1.00 0.00 H new ATOM 0 HA VAL A 74 11.519 -8.487 -11.538 1.00 0.00 H new ATOM 0 HB VAL A 74 9.304 -10.292 -12.477 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.789 -8.363 -11.909 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.655 -8.989 -10.486 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.196 -7.483 -11.265 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.712 -8.475 -14.112 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.186 -7.601 -13.632 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.312 -9.186 -14.432 1.00 0.00 H new ATOM 1179 N THR A 75 10.962 -9.533 -9.320 1.00 0.00 N ATOM 1180 CA THR A 75 10.706 -10.014 -7.967 1.00 0.00 C ATOM 1181 C THR A 75 9.634 -9.076 -7.387 1.00 0.00 C ATOM 1182 O THR A 75 9.647 -7.884 -7.698 1.00 0.00 O ATOM 1183 CB THR A 75 11.996 -9.934 -7.118 1.00 0.00 C ATOM 1184 OG1 THR A 75 13.187 -10.095 -7.882 1.00 0.00 O ATOM 1185 CG2 THR A 75 12.023 -10.968 -5.992 1.00 0.00 C ATOM 0 H THR A 75 11.064 -8.518 -9.346 1.00 0.00 H new ATOM 0 HA THR A 75 10.378 -11.054 -7.965 1.00 0.00 H new ATOM 0 HB THR A 75 11.972 -8.927 -6.700 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.256 -11.023 -8.188 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.950 -10.867 -5.428 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.174 -10.805 -5.328 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.964 -11.970 -6.417 1.00 0.00 H new ATOM 1193 N GLU A 76 8.733 -9.563 -6.533 1.00 0.00 N ATOM 1194 CA GLU A 76 7.682 -8.767 -5.900 1.00 0.00 C ATOM 1195 C GLU A 76 7.773 -8.917 -4.379 1.00 0.00 C ATOM 1196 O GLU A 76 8.320 -9.908 -3.883 1.00 0.00 O ATOM 1197 CB GLU A 76 6.320 -9.190 -6.469 1.00 0.00 C ATOM 1198 CG GLU A 76 5.887 -10.617 -6.098 1.00 0.00 C ATOM 1199 CD GLU A 76 4.546 -10.989 -6.757 1.00 0.00 C ATOM 1200 OE1 GLU A 76 3.477 -10.748 -6.152 1.00 0.00 O ATOM 1201 OE2 GLU A 76 4.544 -11.546 -7.879 1.00 0.00 O ATOM 0 H GLU A 76 8.714 -10.545 -6.256 1.00 0.00 H new ATOM 0 HA GLU A 76 7.808 -7.707 -6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.561 -8.491 -6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.353 -9.105 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.655 -11.324 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.797 -10.701 -5.015 1.00 0.00 H new ATOM 1208 N SER A 77 7.288 -7.928 -3.625 1.00 0.00 N ATOM 1209 CA SER A 77 7.374 -7.878 -2.166 1.00 0.00 C ATOM 1210 C SER A 77 6.334 -6.895 -1.605 1.00 0.00 C ATOM 1211 O SER A 77 5.710 -6.128 -2.343 1.00 0.00 O ATOM 1212 CB SER A 77 8.801 -7.451 -1.771 1.00 0.00 C ATOM 1213 OG SER A 77 9.733 -8.477 -2.067 1.00 0.00 O ATOM 0 H SER A 77 6.812 -7.119 -4.024 1.00 0.00 H new ATOM 0 HA SER A 77 7.162 -8.861 -1.747 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.074 -6.541 -2.305 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.835 -7.219 -0.707 1.00 0.00 H new ATOM 0 HG SER A 77 9.300 -9.165 -2.614 1.00 0.00 H new ATOM 1219 N ARG A 78 6.169 -6.899 -0.281 1.00 0.00 N ATOM 1220 CA ARG A 78 5.315 -5.973 0.469 1.00 0.00 C ATOM 1221 C ARG A 78 6.056 -5.615 1.758 1.00 0.00 C ATOM 1222 O ARG A 78 5.554 -5.811 2.866 1.00 0.00 O ATOM 1223 CB ARG A 78 3.902 -6.569 0.659 1.00 0.00 C ATOM 1224 CG ARG A 78 3.844 -7.895 1.442 1.00 0.00 C ATOM 1225 CD ARG A 78 3.032 -7.757 2.738 1.00 0.00 C ATOM 1226 NE ARG A 78 3.265 -8.889 3.652 1.00 0.00 N ATOM 1227 CZ ARG A 78 4.287 -9.004 4.512 1.00 0.00 C ATOM 1228 NH1 ARG A 78 5.234 -8.070 4.579 1.00 0.00 N ATOM 1229 NH2 ARG A 78 4.358 -10.068 5.306 1.00 0.00 N ATOM 0 H ARG A 78 6.643 -7.572 0.322 1.00 0.00 H new ATOM 0 HA ARG A 78 5.134 -5.043 -0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.283 -5.835 1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.458 -6.727 -0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.400 -8.668 0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.856 -8.221 1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.299 -6.826 3.237 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.971 -7.696 2.497 1.00 0.00 H new ATOM 0 HE ARG A 78 2.589 -9.653 3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.188 -7.253 3.971 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.005 -8.172 5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.638 -10.789 5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.132 -10.163 5.963 1.00 0.00 H new ATOM 1243 N SER A 79 7.308 -5.195 1.598 1.00 0.00 N ATOM 1244 CA SER A 79 8.345 -5.282 2.620 1.00 0.00 C ATOM 1245 C SER A 79 9.097 -3.949 2.606 1.00 0.00 C ATOM 1246 O SER A 79 10.240 -3.860 2.153 1.00 0.00 O ATOM 1247 CB SER A 79 9.221 -6.511 2.321 1.00 0.00 C ATOM 1248 OG SER A 79 8.415 -7.650 2.027 1.00 0.00 O ATOM 0 H SER A 79 7.637 -4.773 0.730 1.00 0.00 H new ATOM 0 HA SER A 79 7.955 -5.429 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.878 -6.298 1.478 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.860 -6.724 3.178 1.00 0.00 H new ATOM 0 HG SER A 79 8.992 -8.419 1.838 1.00 0.00 H new ATOM 1254 N LEU A 80 8.358 -2.886 2.944 1.00 0.00 N ATOM 1255 CA LEU A 80 8.634 -1.520 2.513 1.00 0.00 C ATOM 1256 C LEU A 80 10.052 -1.079 2.894 1.00 0.00 C ATOM 1257 O LEU A 80 10.502 -1.318 4.019 1.00 0.00 O ATOM 1258 CB LEU A 80 7.586 -0.528 3.061 1.00 0.00 C ATOM 1259 CG LEU A 80 6.130 -0.642 2.547 1.00 0.00 C ATOM 1260 CD1 LEU A 80 6.011 -0.620 1.017 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.382 -1.871 3.082 1.00 0.00 C ATOM 0 H LEU A 80 7.533 -2.959 3.539 1.00 0.00 H new ATOM 0 HA LEU A 80 8.565 -1.513 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.565 -0.632 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.937 0.481 2.844 1.00 0.00 H new ATOM 0 HG LEU A 80 5.657 0.256 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.962 -0.704 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.417 0.316 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.569 -1.457 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.369 -1.884 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.906 -2.777 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.339 -1.826 4.170 1.00 0.00 H new ATOM 1273 N GLU A 81 10.742 -0.419 1.963 1.00 0.00 N ATOM 1274 CA GLU A 81 12.137 -0.003 2.082 1.00 0.00 C ATOM 1275 C GLU A 81 12.255 1.475 2.489 1.00 0.00 C ATOM 1276 O GLU A 81 13.230 1.851 3.142 1.00 0.00 O ATOM 1277 CB GLU A 81 12.931 -0.406 0.823 1.00 0.00 C ATOM 1278 CG GLU A 81 12.598 0.327 -0.487 1.00 0.00 C ATOM 1279 CD GLU A 81 13.348 1.654 -0.625 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.548 1.638 -0.973 1.00 0.00 O ATOM 1281 OE2 GLU A 81 12.746 2.720 -0.386 1.00 0.00 O ATOM 0 H GLU A 81 10.327 -0.150 1.071 1.00 0.00 H new ATOM 0 HA GLU A 81 12.609 -0.542 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.991 -0.259 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.784 -1.473 0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.846 -0.316 -1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.525 0.514 -0.532 1.00 0.00 H new ATOM 1288 N GLY A 82 11.220 2.285 2.237 1.00 0.00 N ATOM 1289 CA GLY A 82 10.909 3.460 3.035 1.00 0.00 C ATOM 1290 C GLY A 82 11.741 4.705 2.725 1.00 0.00 C ATOM 1291 O GLY A 82 11.773 5.607 3.566 1.00 0.00 O ATOM 0 H GLY A 82 10.572 2.135 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.856 3.704 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.041 3.209 4.087 1.00 0.00 H new ATOM 1295 N HIS A 83 12.410 4.792 1.569 1.00 0.00 N ATOM 1296 CA HIS A 83 13.014 6.053 1.143 1.00 0.00 C ATOM 1297 C HIS A 83 11.927 7.123 0.974 1.00 0.00 C ATOM 1298 O HIS A 83 10.791 6.830 0.594 1.00 0.00 O ATOM 1299 CB HIS A 83 13.811 5.888 -0.160 1.00 0.00 C ATOM 1300 CG HIS A 83 15.205 5.348 0.040 1.00 0.00 C ATOM 1301 ND1 HIS A 83 15.615 4.048 -0.132 1.00 0.00 N ATOM 1302 CD2 HIS A 83 16.312 6.070 0.402 1.00 0.00 C ATOM 1303 CE1 HIS A 83 16.929 3.982 0.127 1.00 0.00 C ATOM 1304 NE2 HIS A 83 17.407 5.196 0.463 1.00 0.00 N ATOM 0 H HIS A 83 12.544 4.015 0.922 1.00 0.00 H new ATOM 0 HA HIS A 83 13.713 6.370 1.917 1.00 0.00 H new ATOM 0 HB2 HIS A 83 13.265 5.220 -0.826 1.00 0.00 H new ATOM 0 HB3 HIS A 83 13.875 6.854 -0.660 1.00 0.00 H new ATOM 0 HD1 HIS A 83 15.021 3.266 -0.409 1.00 0.00 H new ATOM 0 HD2 HIS A 83 16.337 7.130 0.605 1.00 0.00 H new ATOM 0 HE1 HIS A 83 17.522 3.081 0.074 1.00 0.00 H new ATOM 1312 N HIS A 84 12.305 8.384 1.193 1.00 0.00 N ATOM 1313 CA HIS A 84 11.458 9.557 0.969 1.00 0.00 C ATOM 1314 C HIS A 84 11.454 9.999 -0.509 1.00 0.00 C ATOM 1315 O HIS A 84 10.907 11.053 -0.837 1.00 0.00 O ATOM 1316 CB HIS A 84 11.941 10.692 1.895 1.00 0.00 C ATOM 1317 CG HIS A 84 13.411 11.024 1.761 1.00 0.00 C ATOM 1318 ND1 HIS A 84 14.421 10.596 2.597 1.00 0.00 N ATOM 1319 CD2 HIS A 84 13.996 11.791 0.788 1.00 0.00 C ATOM 1320 CE1 HIS A 84 15.580 11.092 2.135 1.00 0.00 C ATOM 1321 NE2 HIS A 84 15.379 11.820 1.020 1.00 0.00 N ATOM 0 H HIS A 84 13.234 8.624 1.540 1.00 0.00 H new ATOM 0 HA HIS A 84 10.426 9.300 1.207 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.358 11.589 1.685 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.737 10.413 2.929 1.00 0.00 H new ATOM 0 HD1 HIS A 84 14.307 10.006 3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.480 12.288 -0.020 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.543 10.929 2.595 1.00 0.00 H new ATOM 1329 N ARG A 85 12.111 9.246 -1.398 1.00 0.00 N ATOM 1330 CA ARG A 85 12.425 9.636 -2.771 1.00 0.00 C ATOM 1331 C ARG A 85 12.683 8.380 -3.600 1.00 0.00 C ATOM 1332 O ARG A 85 12.847 7.293 -3.037 1.00 0.00 O ATOM 1333 CB ARG A 85 13.682 10.536 -2.770 1.00 0.00 C ATOM 1334 CG ARG A 85 14.923 9.821 -2.198 1.00 0.00 C ATOM 1335 CD ARG A 85 16.195 10.653 -2.352 1.00 0.00 C ATOM 1336 NE ARG A 85 17.369 9.813 -2.069 1.00 0.00 N ATOM 1337 CZ ARG A 85 18.215 9.902 -1.039 1.00 0.00 C ATOM 1338 NH1 ARG A 85 18.031 10.798 -0.071 1.00 0.00 N ATOM 1339 NH2 ARG A 85 19.249 9.071 -0.986 1.00 0.00 N ATOM 0 H ARG A 85 12.451 8.312 -1.169 1.00 0.00 H new ATOM 0 HA ARG A 85 11.590 10.188 -3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.892 10.861 -3.789 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.482 11.433 -2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.760 9.603 -1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.054 8.865 -2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.258 11.056 -3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.171 11.503 -1.671 1.00 0.00 H new ATOM 0 HE ARG A 85 17.561 9.071 -2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.233 11.432 -0.108 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.688 10.850 0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.386 8.380 -1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.906 9.123 -0.208 1.00 0.00 H new ATOM 1353 N PHE A 86 12.807 8.532 -4.916 1.00 0.00 N ATOM 1354 CA PHE A 86 13.555 7.584 -5.729 1.00 0.00 C ATOM 1355 C PHE A 86 15.021 8.057 -5.775 1.00 0.00 C ATOM 1356 O PHE A 86 15.276 9.251 -5.591 1.00 0.00 O ATOM 1357 CB PHE A 86 12.918 7.494 -7.125 1.00 0.00 C ATOM 1358 CG PHE A 86 13.232 6.198 -7.844 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.763 4.967 -7.351 1.00 0.00 C ATOM 1360 CD2 PHE A 86 13.994 6.221 -9.017 1.00 0.00 C ATOM 1361 CE1 PHE A 86 13.119 3.768 -7.991 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.349 5.028 -9.665 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.920 3.797 -9.144 1.00 0.00 C ATOM 0 H PHE A 86 12.397 9.305 -5.441 1.00 0.00 H new ATOM 0 HA PHE A 86 13.529 6.580 -5.305 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.837 7.597 -7.031 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.266 8.331 -7.730 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.127 4.943 -6.478 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.313 7.167 -9.428 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.776 2.823 -7.596 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.950 5.057 -10.562 1.00 0.00 H new ATOM 0 HZ PHE A 86 14.205 2.875 -9.629 1.00 0.00 H new ATOM 1373 N SER A 87 15.975 7.150 -6.015 1.00 0.00 N ATOM 1374 CA SER A 87 17.409 7.459 -6.013 1.00 0.00 C ATOM 1375 C SER A 87 18.125 6.827 -7.212 1.00 0.00 C ATOM 1376 O SER A 87 17.724 5.760 -7.685 1.00 0.00 O ATOM 1377 CB SER A 87 18.042 6.945 -4.711 1.00 0.00 C ATOM 1378 OG SER A 87 17.310 7.356 -3.568 1.00 0.00 O ATOM 0 H SER A 87 15.771 6.171 -6.218 1.00 0.00 H new ATOM 0 HA SER A 87 17.520 8.541 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.093 5.857 -4.737 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.066 7.310 -4.637 1.00 0.00 H new ATOM 0 HG SER A 87 17.742 7.008 -2.760 1.00 0.00 H new ATOM 1384 N ILE A 88 19.204 7.455 -7.693 1.00 0.00 N ATOM 1385 CA ILE A 88 20.235 6.776 -8.483 1.00 0.00 C ATOM 1386 C ILE A 88 21.324 6.434 -7.462 1.00 0.00 C ATOM 1387 O ILE A 88 21.668 7.278 -6.628 1.00 0.00 O ATOM 1388 CB ILE A 88 20.810 7.660 -9.628 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.721 8.339 -10.486 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.695 6.799 -10.550 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.229 9.256 -11.607 1.00 0.00 C ATOM 0 H ILE A 88 19.386 8.448 -7.545 1.00 0.00 H new ATOM 0 HA ILE A 88 19.827 5.902 -8.991 1.00 0.00 H new ATOM 0 HB ILE A 88 21.386 8.450 -9.146 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.099 7.562 -10.931 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.078 8.923 -9.828 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.097 7.419 -11.351 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.516 6.374 -9.973 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.098 5.994 -10.979 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.380 9.679 -12.144 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.824 10.062 -11.177 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.845 8.680 -12.297 1.00 0.00 H new ATOM 1403 N VAL A 89 21.876 5.224 -7.521 1.00 0.00 N ATOM 1404 CA VAL A 89 22.950 4.775 -6.642 1.00 0.00 C ATOM 1405 C VAL A 89 24.020 4.128 -7.534 1.00 0.00 C ATOM 1406 O VAL A 89 23.710 3.573 -8.591 1.00 0.00 O ATOM 1407 CB VAL A 89 22.370 3.840 -5.549 1.00 0.00 C ATOM 1408 CG1 VAL A 89 23.438 3.386 -4.543 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.224 4.504 -4.764 1.00 0.00 C ATOM 0 H VAL A 89 21.583 4.516 -8.194 1.00 0.00 H new ATOM 0 HA VAL A 89 23.422 5.592 -6.096 1.00 0.00 H new ATOM 0 HB VAL A 89 21.989 2.973 -6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 89 22.982 2.734 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 89 24.225 2.844 -5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.866 4.258 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 89 20.850 3.811 -4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.592 5.407 -4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.417 4.765 -5.449 1.00 0.00 H new ATOM 1419 N TYR A 90 25.287 4.233 -7.132 1.00 0.00 N ATOM 1420 CA TYR A 90 26.440 3.746 -7.895 1.00 0.00 C ATOM 1421 C TYR A 90 27.598 3.308 -6.979 1.00 0.00 C ATOM 1422 O TYR A 90 28.689 3.000 -7.466 1.00 0.00 O ATOM 1423 CB TYR A 90 26.877 4.839 -8.886 1.00 0.00 C ATOM 1424 CG TYR A 90 27.206 6.186 -8.259 1.00 0.00 C ATOM 1425 CD1 TYR A 90 28.500 6.445 -7.767 1.00 0.00 C ATOM 1426 CD2 TYR A 90 26.210 7.179 -8.162 1.00 0.00 C ATOM 1427 CE1 TYR A 90 28.798 7.686 -7.175 1.00 0.00 C ATOM 1428 CE2 TYR A 90 26.499 8.421 -7.570 1.00 0.00 C ATOM 1429 CZ TYR A 90 27.799 8.681 -7.072 1.00 0.00 C ATOM 1430 OH TYR A 90 28.100 9.879 -6.497 1.00 0.00 O ATOM 0 H TYR A 90 25.548 4.669 -6.247 1.00 0.00 H new ATOM 0 HA TYR A 90 26.147 2.854 -8.449 1.00 0.00 H new ATOM 0 HB2 TYR A 90 27.753 4.485 -9.430 1.00 0.00 H new ATOM 0 HB3 TYR A 90 26.083 4.981 -9.619 1.00 0.00 H new ATOM 0 HD1 TYR A 90 29.266 5.688 -7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 90 25.219 6.984 -8.545 1.00 0.00 H new ATOM 0 HE1 TYR A 90 29.792 7.879 -6.799 1.00 0.00 H new ATOM 0 HE2 TYR A 90 25.730 9.176 -7.495 1.00 0.00 H new ATOM 0 HH TYR A 90 27.306 10.454 -6.504 1.00 0.00 H new ATOM 1440 N SER A 91 27.376 3.302 -5.661 1.00 0.00 N ATOM 1441 CA SER A 91 28.347 2.928 -4.641 1.00 0.00 C ATOM 1442 C SER A 91 28.921 1.536 -4.916 1.00 0.00 C ATOM 1443 O SER A 91 30.157 1.373 -4.834 1.00 0.00 O ATOM 1444 CB SER A 91 27.675 2.997 -3.263 1.00 0.00 C ATOM 1445 OG SER A 91 26.927 4.202 -3.130 1.00 0.00 O ATOM 1446 OXT SER A 91 28.141 0.602 -5.202 1.00 0.00 O ATOM 0 H SER A 91 26.475 3.570 -5.264 1.00 0.00 H new ATOM 0 HA SER A 91 29.184 3.626 -4.662 1.00 0.00 H new ATOM 0 HB2 SER A 91 27.018 2.138 -3.130 1.00 0.00 H new ATOM 0 HB3 SER A 91 28.432 2.944 -2.480 1.00 0.00 H new ATOM 0 HG SER A 91 26.504 4.229 -2.246 1.00 0.00 H new TER 1452 SER A 91