USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 804 hydrogens (21 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 98 HIS : no HD1:sc= -0.0102 X(o=-0.019,f=0) USER MOD Set 1.2: A 100 HIS : no HD1:sc=-0.00912 X(o=-0.019,f=-0.0059) USER MOD Set 2.1: A 73 GLN : amide:sc= 0 X(o=0.43,f=0.055) USER MOD Set 2.2: A 74 TYR OH : rot -102:sc= 0.433 USER MOD Set 3.1: A 28 HIS : no HD1:sc= 0.482 K(o=0.55,f=-7.2!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.0702 USER MOD Set 4.1: A 24 THR OG1 : rot -16:sc= 1.11 USER MOD Set 4.2: A 27 SER OG : rot -88:sc= 1.68 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.126) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0.887 (180deg=0.852) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0668 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 75:sc= 1.06 USER MOD Single : A 15 THR OG1 : rot 87:sc= 0.79 USER MOD Single : A 16 CYS SG : rot -30:sc= -0.221 USER MOD Single : A 22 THR OG1 : rot -22:sc= 0.842 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -112:sc= 0.385 (180deg=-0.758) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0.543 (180deg=0.495) USER MOD Single : A 61 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.399 F(o=-1.2,f=-0.4) USER MOD Single : A 65 ASN : amide:sc= -0.112 K(o=-0.11,f=-2.4!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 173:sc= 0.263 USER MOD Single : A 78 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0648) USER MOD Single : A 79 ASN : amide:sc= -1.56 K(o=-1.6,f=-5.2!) USER MOD Single : A 91 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.084) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 97 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-0.91) USER MOD Single : A 102 PNS O33 : rot -44:sc= 1.2 USER MOD Single : A 102 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.097 8.763 -0.597 1.00 0.00 N ATOM 2 CA MET A 1 -15.811 8.242 0.590 1.00 0.00 C ATOM 3 C MET A 1 -15.272 6.852 0.985 1.00 0.00 C ATOM 4 O MET A 1 -15.107 6.572 2.180 1.00 0.00 O ATOM 5 CB MET A 1 -17.341 8.202 0.321 1.00 0.00 C ATOM 6 CG MET A 1 -18.197 7.730 1.510 1.00 0.00 C ATOM 7 SD MET A 1 -19.964 7.702 1.149 1.00 0.00 S ATOM 8 CE MET A 1 -20.357 9.451 1.000 1.00 0.00 C ATOM 0 H1 MET A 1 -15.439 9.720 -0.816 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.076 8.797 -0.401 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.273 8.138 -1.410 1.00 0.00 H new ATOM 0 HA MET A 1 -15.633 8.914 1.430 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.670 9.199 0.029 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.529 7.543 -0.527 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.877 6.731 1.805 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.017 8.386 2.362 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.439 9.580 0.974 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.948 9.990 1.855 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.922 9.845 0.081 1.00 0.00 H new ATOM 20 N THR A 2 -14.978 5.994 -0.024 1.00 0.00 N ATOM 21 CA THR A 2 -14.425 4.644 0.203 1.00 0.00 C ATOM 22 C THR A 2 -13.743 4.092 -1.087 1.00 0.00 C ATOM 23 O THR A 2 -14.391 3.933 -2.124 1.00 0.00 O ATOM 24 CB THR A 2 -15.528 3.651 0.736 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.966 2.350 0.975 1.00 0.00 O ATOM 26 CG2 THR A 2 -16.748 3.526 -0.211 1.00 0.00 C ATOM 0 H THR A 2 -15.118 6.220 -1.009 1.00 0.00 H new ATOM 0 HA THR A 2 -13.660 4.727 0.975 1.00 0.00 H new ATOM 0 HB THR A 2 -15.890 4.077 1.672 1.00 0.00 H new ATOM 0 HG1 THR A 2 -15.664 1.748 1.307 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.469 2.828 0.215 1.00 0.00 H new ATOM 0 HG22 THR A 2 -17.216 4.503 -0.332 1.00 0.00 H new ATOM 0 HG23 THR A 2 -16.418 3.159 -1.183 1.00 0.00 H new ATOM 34 N SER A 3 -12.416 3.853 -0.981 1.00 0.00 N ATOM 35 CA SER A 3 -11.549 3.216 -2.018 1.00 0.00 C ATOM 36 C SER A 3 -10.100 3.182 -1.476 1.00 0.00 C ATOM 37 O SER A 3 -9.833 3.779 -0.424 1.00 0.00 O ATOM 38 CB SER A 3 -11.589 3.971 -3.379 1.00 0.00 C ATOM 39 OG SER A 3 -10.831 3.297 -4.375 1.00 0.00 O ATOM 0 H SER A 3 -11.893 4.105 -0.142 1.00 0.00 H new ATOM 0 HA SER A 3 -11.923 2.210 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.623 4.068 -3.711 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.201 4.981 -3.247 1.00 0.00 H new ATOM 0 HG SER A 3 -10.879 3.797 -5.217 1.00 0.00 H new ATOM 45 N THR A 4 -9.165 2.505 -2.184 1.00 0.00 N ATOM 46 CA THR A 4 -7.759 2.412 -1.727 1.00 0.00 C ATOM 47 C THR A 4 -7.085 3.788 -1.810 1.00 0.00 C ATOM 48 O THR A 4 -6.572 4.276 -0.806 1.00 0.00 O ATOM 49 CB THR A 4 -6.914 1.376 -2.531 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.643 0.142 -2.628 1.00 0.00 O ATOM 51 CG2 THR A 4 -5.534 1.120 -1.874 1.00 0.00 C ATOM 0 H THR A 4 -9.355 2.022 -3.062 1.00 0.00 H new ATOM 0 HA THR A 4 -7.796 2.065 -0.695 1.00 0.00 H new ATOM 0 HB THR A 4 -6.733 1.786 -3.524 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.116 -0.511 -3.134 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.978 0.393 -2.466 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.974 2.054 -1.828 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.677 0.733 -0.865 1.00 0.00 H new ATOM 59 N PHE A 5 -7.133 4.422 -3.011 1.00 0.00 N ATOM 60 CA PHE A 5 -6.612 5.791 -3.212 1.00 0.00 C ATOM 61 C PHE A 5 -7.358 6.793 -2.311 1.00 0.00 C ATOM 62 O PHE A 5 -6.766 7.761 -1.864 1.00 0.00 O ATOM 63 CB PHE A 5 -6.685 6.236 -4.706 1.00 0.00 C ATOM 64 CG PHE A 5 -6.428 7.742 -4.907 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.169 8.296 -4.664 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.468 8.615 -5.242 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.969 9.660 -4.754 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.254 9.977 -5.346 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.007 10.496 -5.095 1.00 0.00 C ATOM 0 H PHE A 5 -7.528 4.002 -3.852 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.559 5.779 -2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.954 5.670 -5.283 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.668 5.986 -5.105 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.343 7.651 -4.403 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.456 8.218 -5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.991 10.073 -4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.066 10.632 -5.624 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.841 11.561 -5.165 1.00 0.00 H new ATOM 79 N ASP A 6 -8.649 6.543 -2.052 1.00 0.00 N ATOM 80 CA ASP A 6 -9.458 7.397 -1.159 1.00 0.00 C ATOM 81 C ASP A 6 -8.847 7.440 0.247 1.00 0.00 C ATOM 82 O ASP A 6 -8.697 8.516 0.830 1.00 0.00 O ATOM 83 CB ASP A 6 -10.909 6.890 -1.108 1.00 0.00 C ATOM 84 CG ASP A 6 -11.805 7.743 -0.209 1.00 0.00 C ATOM 85 OD1 ASP A 6 -12.233 8.823 -0.652 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.079 7.354 0.948 1.00 0.00 O ATOM 0 H ASP A 6 -9.161 5.754 -2.448 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.461 8.412 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.321 6.879 -2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.917 5.861 -0.749 1.00 0.00 H new ATOM 91 N ARG A 7 -8.463 6.253 0.746 1.00 0.00 N ATOM 92 CA ARG A 7 -7.765 6.110 2.033 1.00 0.00 C ATOM 93 C ARG A 7 -6.403 6.832 1.997 1.00 0.00 C ATOM 94 O ARG A 7 -6.072 7.564 2.920 1.00 0.00 O ATOM 95 CB ARG A 7 -7.543 4.624 2.374 1.00 0.00 C ATOM 96 CG ARG A 7 -8.813 3.784 2.582 1.00 0.00 C ATOM 97 CD ARG A 7 -9.655 4.216 3.793 1.00 0.00 C ATOM 98 NE ARG A 7 -10.754 3.259 4.051 1.00 0.00 N ATOM 99 CZ ARG A 7 -11.935 3.562 4.587 1.00 0.00 C ATOM 100 NH1 ARG A 7 -12.264 4.821 4.847 1.00 0.00 N ATOM 101 NH2 ARG A 7 -12.803 2.593 4.839 1.00 0.00 N ATOM 0 H ARG A 7 -8.628 5.367 0.268 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.392 6.563 2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.959 4.171 1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.940 4.566 3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.428 3.845 1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.529 2.739 2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.018 4.288 4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.068 5.209 3.616 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.593 2.284 3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.608 5.573 4.636 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -13.173 5.036 5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.564 1.625 4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -13.710 2.815 5.249 1.00 0.00 H new ATOM 115 N VAL A 8 -5.640 6.621 0.895 1.00 0.00 N ATOM 116 CA VAL A 8 -4.295 7.224 0.684 1.00 0.00 C ATOM 117 C VAL A 8 -4.364 8.766 0.714 1.00 0.00 C ATOM 118 O VAL A 8 -3.548 9.432 1.357 1.00 0.00 O ATOM 119 CB VAL A 8 -3.670 6.736 -0.683 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.306 7.418 -0.978 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.521 5.202 -0.699 1.00 0.00 C ATOM 0 H VAL A 8 -5.940 6.025 0.123 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.654 6.893 1.501 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.360 7.030 -1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.914 7.052 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.444 8.498 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.602 7.183 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.089 4.888 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.868 4.891 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.501 4.740 -0.576 1.00 0.00 H new ATOM 131 N ALA A 9 -5.377 9.295 0.035 1.00 0.00 N ATOM 132 CA ALA A 9 -5.610 10.732 -0.133 1.00 0.00 C ATOM 133 C ALA A 9 -6.046 11.375 1.193 1.00 0.00 C ATOM 134 O ALA A 9 -5.632 12.495 1.508 1.00 0.00 O ATOM 135 CB ALA A 9 -6.663 10.961 -1.235 1.00 0.00 C ATOM 0 H ALA A 9 -6.082 8.721 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.678 11.209 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.834 12.030 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.304 10.541 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.597 10.474 -0.953 1.00 0.00 H new ATOM 141 N THR A 10 -6.888 10.645 1.957 1.00 0.00 N ATOM 142 CA THR A 10 -7.274 11.018 3.328 1.00 0.00 C ATOM 143 C THR A 10 -6.031 11.127 4.221 1.00 0.00 C ATOM 144 O THR A 10 -5.827 12.134 4.899 1.00 0.00 O ATOM 145 CB THR A 10 -8.260 9.967 3.943 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.448 9.895 3.141 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.645 10.294 5.394 1.00 0.00 C ATOM 0 H THR A 10 -7.318 9.778 1.635 1.00 0.00 H new ATOM 0 HA THR A 10 -7.776 11.984 3.279 1.00 0.00 H new ATOM 0 HB THR A 10 -7.743 9.007 3.951 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.255 9.406 2.314 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.329 9.533 5.769 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.748 10.312 6.013 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.131 11.269 5.431 1.00 0.00 H new ATOM 155 N ILE A 11 -5.199 10.077 4.149 1.00 0.00 N ATOM 156 CA ILE A 11 -3.959 9.958 4.912 1.00 0.00 C ATOM 157 C ILE A 11 -3.034 11.154 4.655 1.00 0.00 C ATOM 158 O ILE A 11 -2.633 11.811 5.591 1.00 0.00 O ATOM 159 CB ILE A 11 -3.245 8.578 4.594 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.021 7.403 5.291 1.00 0.00 C ATOM 161 CG2 ILE A 11 -1.744 8.579 4.980 1.00 0.00 C ATOM 162 CD1 ILE A 11 -3.585 6.000 4.895 1.00 0.00 C ATOM 0 H ILE A 11 -5.378 9.274 3.546 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.203 9.969 5.974 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.274 8.429 3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.909 7.508 6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.083 7.510 5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.306 7.610 4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.226 9.359 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.643 8.768 6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.185 5.267 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.724 5.865 3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.533 5.862 5.144 1.00 0.00 H new ATOM 174 N ILE A 12 -2.773 11.481 3.387 1.00 0.00 N ATOM 175 CA ILE A 12 -1.828 12.557 3.023 1.00 0.00 C ATOM 176 C ILE A 12 -2.369 13.949 3.449 1.00 0.00 C ATOM 177 O ILE A 12 -1.605 14.810 3.922 1.00 0.00 O ATOM 178 CB ILE A 12 -1.512 12.507 1.483 1.00 0.00 C ATOM 179 CG1 ILE A 12 -0.798 11.161 1.128 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.671 13.719 1.020 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.493 10.967 -0.346 1.00 0.00 C ATOM 0 H ILE A 12 -3.202 11.017 2.586 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.897 12.396 3.566 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.459 12.560 0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.136 11.104 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.424 10.335 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.478 13.641 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.217 14.640 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.276 13.732 1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.001 10.007 -0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.422 10.987 -0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.161 11.768 -0.691 1.00 0.00 H new ATOM 193 N ALA A 13 -3.688 14.138 3.283 1.00 0.00 N ATOM 194 CA ALA A 13 -4.399 15.351 3.733 1.00 0.00 C ATOM 195 C ALA A 13 -4.232 15.613 5.247 1.00 0.00 C ATOM 196 O ALA A 13 -3.800 16.699 5.648 1.00 0.00 O ATOM 197 CB ALA A 13 -5.891 15.257 3.355 1.00 0.00 C ATOM 0 H ALA A 13 -4.295 13.454 2.832 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.948 16.201 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.409 16.156 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.987 15.165 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.333 14.383 3.834 1.00 0.00 H new ATOM 203 N GLU A 14 -4.548 14.607 6.074 1.00 0.00 N ATOM 204 CA GLU A 14 -4.557 14.741 7.545 1.00 0.00 C ATOM 205 C GLU A 14 -3.134 14.670 8.151 1.00 0.00 C ATOM 206 O GLU A 14 -2.869 15.284 9.187 1.00 0.00 O ATOM 207 CB GLU A 14 -5.452 13.639 8.177 1.00 0.00 C ATOM 208 CG GLU A 14 -6.883 13.535 7.602 1.00 0.00 C ATOM 209 CD GLU A 14 -7.689 14.845 7.675 1.00 0.00 C ATOM 210 OE1 GLU A 14 -8.195 15.195 8.765 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.843 15.524 6.634 1.00 0.00 O ATOM 0 H GLU A 14 -4.805 13.676 5.746 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.964 15.726 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.957 12.676 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.522 13.823 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.822 13.216 6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.424 12.758 8.142 1.00 0.00 H new ATOM 218 N THR A 15 -2.234 13.910 7.499 1.00 0.00 N ATOM 219 CA THR A 15 -0.859 13.651 7.993 1.00 0.00 C ATOM 220 C THR A 15 0.103 14.802 7.626 1.00 0.00 C ATOM 221 O THR A 15 0.681 15.456 8.505 1.00 0.00 O ATOM 222 CB THR A 15 -0.316 12.295 7.417 1.00 0.00 C ATOM 223 OG1 THR A 15 -1.166 11.217 7.842 1.00 0.00 O ATOM 224 CG2 THR A 15 1.118 11.983 7.843 1.00 0.00 C ATOM 0 H THR A 15 -2.437 13.454 6.610 1.00 0.00 H new ATOM 0 HA THR A 15 -0.908 13.586 9.080 1.00 0.00 H new ATOM 0 HB THR A 15 -0.317 12.400 6.332 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.903 11.111 7.205 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.428 11.032 7.409 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.781 12.774 7.494 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.169 11.919 8.930 1.00 0.00 H new ATOM 232 N CYS A 16 0.233 15.069 6.320 1.00 0.00 N ATOM 233 CA CYS A 16 1.268 15.977 5.779 1.00 0.00 C ATOM 234 C CYS A 16 0.696 17.392 5.541 1.00 0.00 C ATOM 235 O CYS A 16 1.437 18.295 5.134 1.00 0.00 O ATOM 236 CB CYS A 16 1.845 15.377 4.467 1.00 0.00 C ATOM 237 SG CYS A 16 3.220 16.314 3.757 1.00 0.00 S ATOM 0 H CYS A 16 -0.372 14.665 5.605 1.00 0.00 H new ATOM 0 HA CYS A 16 2.073 16.074 6.508 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.179 14.358 4.664 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.046 15.313 3.729 1.00 0.00 H new ATOM 0 HG CYS A 16 3.081 17.574 4.045 1.00 0.00 H new ATOM 243 N ASP A 17 -0.623 17.576 5.828 1.00 0.00 N ATOM 244 CA ASP A 17 -1.351 18.858 5.651 1.00 0.00 C ATOM 245 C ASP A 17 -1.293 19.320 4.178 1.00 0.00 C ATOM 246 O ASP A 17 -0.942 20.457 3.858 1.00 0.00 O ATOM 247 CB ASP A 17 -0.831 19.938 6.650 1.00 0.00 C ATOM 248 CG ASP A 17 -1.684 21.223 6.679 1.00 0.00 C ATOM 249 OD1 ASP A 17 -2.865 21.155 7.080 1.00 0.00 O ATOM 250 OD2 ASP A 17 -1.172 22.311 6.340 1.00 0.00 O ATOM 0 H ASP A 17 -1.214 16.828 6.192 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.403 18.702 5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.803 19.509 7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.194 20.199 6.387 1.00 0.00 H new ATOM 255 N ILE A 18 -1.615 18.383 3.281 1.00 0.00 N ATOM 256 CA ILE A 18 -1.695 18.627 1.833 1.00 0.00 C ATOM 257 C ILE A 18 -3.187 18.763 1.458 1.00 0.00 C ATOM 258 O ILE A 18 -3.982 17.914 1.869 1.00 0.00 O ATOM 259 CB ILE A 18 -1.010 17.455 1.033 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.492 17.291 1.439 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.138 17.641 -0.497 1.00 0.00 C ATOM 262 CD1 ILE A 18 1.386 18.488 1.136 1.00 0.00 C ATOM 0 H ILE A 18 -1.831 17.421 3.541 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.164 19.542 1.572 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.542 16.542 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.541 17.084 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.896 16.418 0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.651 16.809 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.192 17.669 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.661 18.576 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.405 18.271 1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.377 18.687 0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.016 19.363 1.671 1.00 0.00 H new ATOM 274 N PRO A 19 -3.607 19.854 0.717 1.00 0.00 N ATOM 275 CA PRO A 19 -5.024 20.055 0.330 1.00 0.00 C ATOM 276 C PRO A 19 -5.602 18.848 -0.432 1.00 0.00 C ATOM 277 O PRO A 19 -5.104 18.501 -1.499 1.00 0.00 O ATOM 278 CB PRO A 19 -4.990 21.332 -0.557 1.00 0.00 C ATOM 279 CG PRO A 19 -3.756 22.057 -0.124 1.00 0.00 C ATOM 280 CD PRO A 19 -2.752 20.975 0.229 1.00 0.00 C ATOM 0 HA PRO A 19 -5.674 20.161 1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.950 21.078 -1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.881 21.942 -0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.378 22.698 -0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.959 22.699 0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.159 20.680 -0.636 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.053 21.310 0.995 1.00 0.00 H new ATOM 288 N ARG A 20 -6.627 18.204 0.159 1.00 0.00 N ATOM 289 CA ARG A 20 -7.296 17.002 -0.404 1.00 0.00 C ATOM 290 C ARG A 20 -7.753 17.210 -1.869 1.00 0.00 C ATOM 291 O ARG A 20 -7.698 16.281 -2.676 1.00 0.00 O ATOM 292 CB ARG A 20 -8.503 16.610 0.501 1.00 0.00 C ATOM 293 CG ARG A 20 -9.287 15.351 0.057 1.00 0.00 C ATOM 294 CD ARG A 20 -8.436 14.073 0.104 1.00 0.00 C ATOM 295 NE ARG A 20 -9.159 12.904 -0.424 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.825 12.005 0.305 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.961 12.156 1.620 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.371 10.963 -0.296 1.00 0.00 N ATOM 0 H ARG A 20 -7.022 18.502 1.051 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.569 16.190 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.137 16.450 1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.194 17.452 0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.158 15.226 0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.658 15.498 -0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.524 14.225 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.134 13.877 1.133 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.150 12.769 -1.435 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.554 12.967 2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.473 11.460 2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.281 10.852 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.882 10.269 0.250 1.00 0.00 H new ATOM 312 N GLU A 21 -8.160 18.447 -2.196 1.00 0.00 N ATOM 313 CA GLU A 21 -8.629 18.823 -3.539 1.00 0.00 C ATOM 314 C GLU A 21 -7.470 18.855 -4.566 1.00 0.00 C ATOM 315 O GLU A 21 -7.684 18.658 -5.765 1.00 0.00 O ATOM 316 CB GLU A 21 -9.347 20.190 -3.469 1.00 0.00 C ATOM 317 CG GLU A 21 -8.464 21.351 -2.977 1.00 0.00 C ATOM 318 CD GLU A 21 -9.209 22.689 -2.951 1.00 0.00 C ATOM 319 OE1 GLU A 21 -9.285 23.354 -4.003 1.00 0.00 O ATOM 320 OE2 GLU A 21 -9.746 23.068 -1.888 1.00 0.00 O ATOM 0 H GLU A 21 -8.173 19.220 -1.531 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.332 18.065 -3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.730 20.436 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.209 20.100 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.097 21.124 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.591 21.438 -3.624 1.00 0.00 H new ATOM 327 N THR A 22 -6.237 19.105 -4.083 1.00 0.00 N ATOM 328 CA THR A 22 -5.034 19.117 -4.940 1.00 0.00 C ATOM 329 C THR A 22 -4.327 17.742 -4.918 1.00 0.00 C ATOM 330 O THR A 22 -3.235 17.595 -5.473 1.00 0.00 O ATOM 331 CB THR A 22 -4.037 20.251 -4.509 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.522 19.997 -3.191 1.00 0.00 O ATOM 333 CG2 THR A 22 -4.706 21.642 -4.527 1.00 0.00 C ATOM 0 H THR A 22 -6.047 19.302 -3.100 1.00 0.00 H new ATOM 0 HA THR A 22 -5.360 19.323 -5.960 1.00 0.00 H new ATOM 0 HB THR A 22 -3.222 20.248 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.130 19.396 -2.712 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.982 22.398 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.059 21.863 -5.534 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.550 21.649 -3.837 1.00 0.00 H new ATOM 341 N ILE A 23 -4.959 16.742 -4.272 1.00 0.00 N ATOM 342 CA ILE A 23 -4.465 15.359 -4.236 1.00 0.00 C ATOM 343 C ILE A 23 -5.215 14.552 -5.324 1.00 0.00 C ATOM 344 O ILE A 23 -6.346 14.095 -5.103 1.00 0.00 O ATOM 345 CB ILE A 23 -4.678 14.713 -2.802 1.00 0.00 C ATOM 346 CG1 ILE A 23 -3.877 15.496 -1.715 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.288 13.216 -2.784 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.068 14.989 -0.289 1.00 0.00 C ATOM 0 H ILE A 23 -5.831 16.876 -3.759 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.393 15.344 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.741 14.783 -2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.816 15.451 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.169 16.545 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.448 12.810 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.903 12.671 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.237 13.110 -3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.473 15.594 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.121 15.061 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.747 13.949 -0.226 1.00 0.00 H new ATOM 360 N THR A 24 -4.608 14.447 -6.518 1.00 0.00 N ATOM 361 CA THR A 24 -5.152 13.648 -7.641 1.00 0.00 C ATOM 362 C THR A 24 -4.456 12.268 -7.677 1.00 0.00 C ATOM 363 O THR A 24 -3.355 12.136 -7.130 1.00 0.00 O ATOM 364 CB THR A 24 -4.972 14.396 -9.017 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.587 14.648 -9.297 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.755 15.719 -9.037 1.00 0.00 C ATOM 0 H THR A 24 -3.727 14.911 -6.737 1.00 0.00 H new ATOM 0 HA THR A 24 -6.221 13.509 -7.482 1.00 0.00 H new ATOM 0 HB THR A 24 -5.370 13.741 -9.792 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.062 14.536 -8.477 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.612 16.212 -9.998 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.816 15.516 -8.888 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.394 16.368 -8.239 1.00 0.00 H new ATOM 374 N PRO A 25 -5.077 11.207 -8.314 1.00 0.00 N ATOM 375 CA PRO A 25 -4.432 9.868 -8.461 1.00 0.00 C ATOM 376 C PRO A 25 -3.076 9.946 -9.194 1.00 0.00 C ATOM 377 O PRO A 25 -2.169 9.145 -8.960 1.00 0.00 O ATOM 378 CB PRO A 25 -5.468 9.053 -9.281 1.00 0.00 C ATOM 379 CG PRO A 25 -6.773 9.747 -9.054 1.00 0.00 C ATOM 380 CD PRO A 25 -6.440 11.214 -8.915 1.00 0.00 C ATOM 0 HA PRO A 25 -4.197 9.418 -7.496 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.209 9.036 -10.340 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.509 8.016 -8.947 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.456 9.578 -9.887 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.265 9.371 -8.157 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.450 11.721 -9.880 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.157 11.729 -8.276 1.00 0.00 H new ATOM 388 N GLU A 26 -2.943 10.977 -10.038 1.00 0.00 N ATOM 389 CA GLU A 26 -1.794 11.171 -10.926 1.00 0.00 C ATOM 390 C GLU A 26 -0.839 12.239 -10.361 1.00 0.00 C ATOM 391 O GLU A 26 0.005 12.783 -11.082 1.00 0.00 O ATOM 392 CB GLU A 26 -2.329 11.544 -12.331 1.00 0.00 C ATOM 393 CG GLU A 26 -3.283 10.476 -12.908 1.00 0.00 C ATOM 394 CD GLU A 26 -3.838 10.822 -14.291 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.887 11.493 -14.369 1.00 0.00 O ATOM 396 OE2 GLU A 26 -3.235 10.410 -15.305 1.00 0.00 O ATOM 0 H GLU A 26 -3.645 11.712 -10.123 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.211 10.253 -11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.851 12.499 -12.275 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.488 11.680 -13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.754 9.525 -12.967 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.115 10.336 -12.218 1.00 0.00 H new ATOM 403 N SER A 27 -0.989 12.522 -9.055 1.00 0.00 N ATOM 404 CA SER A 27 -0.043 13.355 -8.301 1.00 0.00 C ATOM 405 C SER A 27 1.186 12.524 -7.920 1.00 0.00 C ATOM 406 O SER A 27 1.055 11.376 -7.487 1.00 0.00 O ATOM 407 CB SER A 27 -0.698 13.900 -7.012 1.00 0.00 C ATOM 408 OG SER A 27 -1.765 14.779 -7.297 1.00 0.00 O ATOM 0 H SER A 27 -1.770 12.179 -8.495 1.00 0.00 H new ATOM 0 HA SER A 27 0.251 14.194 -8.932 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.064 13.068 -6.410 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.052 14.420 -6.415 1.00 0.00 H new ATOM 0 HG SER A 27 -1.420 15.691 -7.395 1.00 0.00 H new ATOM 414 N HIS A 28 2.371 13.112 -8.106 1.00 0.00 N ATOM 415 CA HIS A 28 3.626 12.560 -7.596 1.00 0.00 C ATOM 416 C HIS A 28 3.849 13.147 -6.194 1.00 0.00 C ATOM 417 O HIS A 28 3.813 14.369 -6.040 1.00 0.00 O ATOM 418 CB HIS A 28 4.791 12.944 -8.535 1.00 0.00 C ATOM 419 CG HIS A 28 6.053 12.173 -8.271 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.899 12.493 -7.237 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.569 11.124 -8.950 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.896 11.631 -7.318 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.737 10.783 -8.340 1.00 0.00 N ATOM 0 H HIS A 28 2.486 13.987 -8.617 1.00 0.00 H new ATOM 0 HA HIS A 28 3.581 11.472 -7.549 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.484 12.780 -9.568 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.997 14.009 -8.429 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.135 10.646 -9.816 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.738 11.613 -6.641 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.368 10.028 -8.610 1.00 0.00 H new ATOM 431 N ALA A 29 4.025 12.281 -5.177 1.00 0.00 N ATOM 432 CA ALA A 29 4.230 12.685 -3.773 1.00 0.00 C ATOM 433 C ALA A 29 5.325 13.749 -3.622 1.00 0.00 C ATOM 434 O ALA A 29 5.086 14.794 -3.029 1.00 0.00 O ATOM 435 CB ALA A 29 4.555 11.450 -2.905 1.00 0.00 C ATOM 0 H ALA A 29 4.029 11.270 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 29 3.299 13.136 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.704 11.761 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.728 10.742 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.463 10.974 -3.275 1.00 0.00 H new ATOM 441 N ILE A 30 6.482 13.527 -4.265 1.00 0.00 N ATOM 442 CA ILE A 30 7.683 14.349 -4.018 1.00 0.00 C ATOM 443 C ILE A 30 7.643 15.604 -4.928 1.00 0.00 C ATOM 444 O ILE A 30 7.897 16.731 -4.471 1.00 0.00 O ATOM 445 CB ILE A 30 9.009 13.537 -4.278 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.974 12.155 -3.556 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.260 14.337 -3.829 1.00 0.00 C ATOM 448 CD1 ILE A 30 10.197 11.282 -3.819 1.00 0.00 C ATOM 0 H ILE A 30 6.614 12.789 -4.957 1.00 0.00 H new ATOM 0 HA ILE A 30 7.681 14.648 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 30 9.076 13.368 -5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.884 12.321 -2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.081 11.615 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.157 13.748 -4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.313 15.272 -4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.190 14.553 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.094 10.340 -3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.279 11.083 -4.887 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.093 11.799 -3.477 1.00 0.00 H new ATOM 460 N ASP A 31 7.268 15.380 -6.206 1.00 0.00 N ATOM 461 CA ASP A 31 7.310 16.409 -7.275 1.00 0.00 C ATOM 462 C ASP A 31 6.092 17.362 -7.201 1.00 0.00 C ATOM 463 O ASP A 31 6.249 18.582 -7.084 1.00 0.00 O ATOM 464 CB ASP A 31 7.381 15.716 -8.675 1.00 0.00 C ATOM 465 CG ASP A 31 7.326 16.711 -9.855 1.00 0.00 C ATOM 466 OD1 ASP A 31 8.347 17.385 -10.124 1.00 0.00 O ATOM 467 OD2 ASP A 31 6.260 16.847 -10.500 1.00 0.00 O ATOM 0 H ASP A 31 6.925 14.476 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 31 8.204 17.014 -7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.303 15.138 -8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.555 15.011 -8.765 1.00 0.00 H new ATOM 472 N ASP A 32 4.884 16.784 -7.249 1.00 0.00 N ATOM 473 CA ASP A 32 3.616 17.544 -7.394 1.00 0.00 C ATOM 474 C ASP A 32 3.107 18.045 -6.023 1.00 0.00 C ATOM 475 O ASP A 32 2.882 19.244 -5.833 1.00 0.00 O ATOM 476 CB ASP A 32 2.555 16.651 -8.092 1.00 0.00 C ATOM 477 CG ASP A 32 1.179 17.330 -8.228 1.00 0.00 C ATOM 478 OD1 ASP A 32 1.001 18.171 -9.136 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.266 17.021 -7.436 1.00 0.00 O ATOM 0 H ASP A 32 4.749 15.775 -7.189 1.00 0.00 H new ATOM 0 HA ASP A 32 3.799 18.424 -8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.916 16.377 -9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.441 15.726 -7.527 1.00 0.00 H new ATOM 484 N LEU A 33 2.919 17.104 -5.074 1.00 0.00 N ATOM 485 CA LEU A 33 2.405 17.412 -3.720 1.00 0.00 C ATOM 486 C LEU A 33 3.466 18.098 -2.836 1.00 0.00 C ATOM 487 O LEU A 33 3.132 18.624 -1.767 1.00 0.00 O ATOM 488 CB LEU A 33 1.919 16.123 -3.023 1.00 0.00 C ATOM 489 CG LEU A 33 0.790 15.325 -3.737 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.441 14.071 -2.919 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.460 16.201 -3.984 1.00 0.00 C ATOM 0 H LEU A 33 3.117 16.114 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 33 1.572 18.103 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.776 15.461 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.570 16.387 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 33 1.155 15.014 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.350 13.516 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.325 13.440 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.101 14.367 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.226 15.609 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.845 16.562 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.191 17.051 -4.612 1.00 0.00 H new ATOM 503 N GLY A 34 4.737 18.048 -3.271 1.00 0.00 N ATOM 504 CA GLY A 34 5.845 18.686 -2.545 1.00 0.00 C ATOM 505 C GLY A 34 6.104 18.071 -1.173 1.00 0.00 C ATOM 506 O GLY A 34 6.488 18.768 -0.229 1.00 0.00 O ATOM 0 H GLY A 34 5.022 17.570 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.752 18.613 -3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.627 19.747 -2.424 1.00 0.00 H new ATOM 510 N ILE A 35 5.873 16.760 -1.077 1.00 0.00 N ATOM 511 CA ILE A 35 6.111 15.965 0.142 1.00 0.00 C ATOM 512 C ILE A 35 7.602 15.608 0.209 1.00 0.00 C ATOM 513 O ILE A 35 8.250 15.421 -0.830 1.00 0.00 O ATOM 514 CB ILE A 35 5.226 14.651 0.135 1.00 0.00 C ATOM 515 CG1 ILE A 35 3.710 15.014 0.107 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.541 13.707 1.326 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.780 13.828 -0.080 1.00 0.00 C ATOM 0 H ILE A 35 5.510 16.207 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 35 5.831 16.548 1.019 1.00 0.00 H new ATOM 0 HB ILE A 35 5.480 14.104 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.453 15.517 1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.535 15.727 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.904 12.824 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.587 13.404 1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.353 14.229 2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.746 14.174 -0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.004 13.335 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.921 13.123 0.739 1.00 0.00 H new ATOM 529 N ASP A 36 8.130 15.520 1.428 1.00 0.00 N ATOM 530 CA ASP A 36 9.531 15.168 1.690 1.00 0.00 C ATOM 531 C ASP A 36 9.559 13.769 2.331 1.00 0.00 C ATOM 532 O ASP A 36 8.511 13.265 2.752 1.00 0.00 O ATOM 533 CB ASP A 36 10.156 16.246 2.615 1.00 0.00 C ATOM 534 CG ASP A 36 11.619 15.981 2.991 1.00 0.00 C ATOM 535 OD1 ASP A 36 12.494 16.114 2.118 1.00 0.00 O ATOM 536 OD2 ASP A 36 11.891 15.603 4.148 1.00 0.00 O ATOM 0 H ASP A 36 7.592 15.693 2.277 1.00 0.00 H new ATOM 0 HA ASP A 36 10.118 15.140 0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.090 17.215 2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.564 16.312 3.528 1.00 0.00 H new ATOM 541 N SER A 37 10.744 13.143 2.375 1.00 0.00 N ATOM 542 CA SER A 37 10.951 11.836 3.028 1.00 0.00 C ATOM 543 C SER A 37 10.414 11.823 4.465 1.00 0.00 C ATOM 544 O SER A 37 9.626 10.948 4.817 1.00 0.00 O ATOM 545 CB SER A 37 12.450 11.473 2.997 1.00 0.00 C ATOM 546 OG SER A 37 12.827 10.568 4.050 1.00 0.00 O ATOM 0 H SER A 37 11.591 13.528 1.958 1.00 0.00 H new ATOM 0 HA SER A 37 10.388 11.085 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.690 11.023 2.034 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.042 12.385 3.079 1.00 0.00 H new ATOM 551 N LEU A 38 10.808 12.827 5.265 1.00 0.00 N ATOM 552 CA LEU A 38 10.427 12.917 6.694 1.00 0.00 C ATOM 553 C LEU A 38 8.889 12.910 6.887 1.00 0.00 C ATOM 554 O LEU A 38 8.387 12.369 7.884 1.00 0.00 O ATOM 555 CB LEU A 38 11.055 14.166 7.375 1.00 0.00 C ATOM 556 CG LEU A 38 12.566 14.071 7.771 1.00 0.00 C ATOM 557 CD1 LEU A 38 12.830 12.862 8.692 1.00 0.00 C ATOM 558 CD2 LEU A 38 13.501 14.055 6.544 1.00 0.00 C ATOM 0 H LEU A 38 11.396 13.597 4.947 1.00 0.00 H new ATOM 0 HA LEU A 38 10.827 12.027 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.933 15.016 6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.481 14.386 8.275 1.00 0.00 H new ATOM 0 HG LEU A 38 12.799 14.978 8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.889 12.824 8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.239 12.962 9.602 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.549 11.944 8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.537 13.988 6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.265 13.195 5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.363 14.971 5.969 1.00 0.00 H new ATOM 570 N ASP A 39 8.164 13.507 5.921 1.00 0.00 N ATOM 571 CA ASP A 39 6.687 13.485 5.882 1.00 0.00 C ATOM 572 C ASP A 39 6.182 12.096 5.453 1.00 0.00 C ATOM 573 O ASP A 39 5.314 11.517 6.107 1.00 0.00 O ATOM 574 CB ASP A 39 6.141 14.554 4.901 1.00 0.00 C ATOM 575 CG ASP A 39 6.540 15.989 5.282 1.00 0.00 C ATOM 576 OD1 ASP A 39 5.800 16.646 6.051 1.00 0.00 O ATOM 577 OD2 ASP A 39 7.600 16.465 4.821 1.00 0.00 O ATOM 0 H ASP A 39 8.585 14.018 5.145 1.00 0.00 H new ATOM 0 HA ASP A 39 6.325 13.710 6.885 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.507 14.337 3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.054 14.484 4.866 1.00 0.00 H new ATOM 582 N PHE A 40 6.781 11.558 4.370 1.00 0.00 N ATOM 583 CA PHE A 40 6.324 10.308 3.714 1.00 0.00 C ATOM 584 C PHE A 40 6.502 9.084 4.644 1.00 0.00 C ATOM 585 O PHE A 40 5.784 8.089 4.500 1.00 0.00 O ATOM 586 CB PHE A 40 7.073 10.095 2.364 1.00 0.00 C ATOM 587 CG PHE A 40 6.490 8.977 1.489 1.00 0.00 C ATOM 588 CD1 PHE A 40 5.416 9.231 0.632 1.00 0.00 C ATOM 589 CD2 PHE A 40 7.000 7.674 1.537 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.880 8.227 -0.152 1.00 0.00 C ATOM 591 CE2 PHE A 40 6.460 6.669 0.752 1.00 0.00 C ATOM 592 CZ PHE A 40 5.396 6.946 -0.092 1.00 0.00 C ATOM 0 H PHE A 40 7.597 11.976 3.923 1.00 0.00 H new ATOM 0 HA PHE A 40 5.259 10.408 3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.055 11.028 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.119 9.869 2.574 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.999 10.226 0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.826 7.449 2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.055 8.444 -0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.868 5.670 0.797 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.971 6.162 -0.702 1.00 0.00 H new ATOM 602 N LEU A 41 7.454 9.179 5.603 1.00 0.00 N ATOM 603 CA LEU A 41 7.684 8.128 6.614 1.00 0.00 C ATOM 604 C LEU A 41 6.429 7.968 7.490 1.00 0.00 C ATOM 605 O LEU A 41 5.927 6.859 7.667 1.00 0.00 O ATOM 606 CB LEU A 41 8.931 8.451 7.493 1.00 0.00 C ATOM 607 CG LEU A 41 10.290 8.566 6.732 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.447 8.921 7.691 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.594 7.289 5.910 1.00 0.00 C ATOM 0 H LEU A 41 8.078 9.981 5.694 1.00 0.00 H new ATOM 0 HA LEU A 41 7.882 7.189 6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.749 9.390 8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.027 7.675 8.253 1.00 0.00 H new ATOM 0 HG LEU A 41 10.197 9.388 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.377 8.993 7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.240 9.876 8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.542 8.145 8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.547 7.406 5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.646 6.430 6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.803 7.131 5.177 1.00 0.00 H new ATOM 621 N ASP A 42 5.893 9.113 7.968 1.00 0.00 N ATOM 622 CA ASP A 42 4.695 9.146 8.839 1.00 0.00 C ATOM 623 C ASP A 42 3.409 8.914 8.016 1.00 0.00 C ATOM 624 O ASP A 42 2.399 8.435 8.548 1.00 0.00 O ATOM 625 CB ASP A 42 4.614 10.472 9.644 1.00 0.00 C ATOM 626 CG ASP A 42 3.576 10.404 10.783 1.00 0.00 C ATOM 627 OD1 ASP A 42 3.858 9.749 11.810 1.00 0.00 O ATOM 628 OD2 ASP A 42 2.471 10.972 10.657 1.00 0.00 O ATOM 0 H ASP A 42 6.276 10.036 7.763 1.00 0.00 H new ATOM 0 HA ASP A 42 4.786 8.332 9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.594 10.701 10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.357 11.289 8.969 1.00 0.00 H new ATOM 633 N ILE A 43 3.453 9.264 6.713 1.00 0.00 N ATOM 634 CA ILE A 43 2.382 8.920 5.759 1.00 0.00 C ATOM 635 C ILE A 43 2.298 7.390 5.613 1.00 0.00 C ATOM 636 O ILE A 43 1.206 6.818 5.621 1.00 0.00 O ATOM 637 CB ILE A 43 2.602 9.600 4.352 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.488 11.156 4.474 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.628 9.053 3.271 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.720 11.916 3.178 1.00 0.00 C ATOM 0 H ILE A 43 4.224 9.787 6.298 1.00 0.00 H new ATOM 0 HA ILE A 43 1.441 9.303 6.153 1.00 0.00 H new ATOM 0 HB ILE A 43 3.610 9.346 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.497 11.405 4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.208 11.502 5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.820 9.553 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.780 7.980 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.600 9.242 3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.621 12.986 3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.722 11.703 2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.984 11.605 2.437 1.00 0.00 H new ATOM 652 N ALA A 44 3.470 6.730 5.568 1.00 0.00 N ATOM 653 CA ALA A 44 3.573 5.272 5.399 1.00 0.00 C ATOM 654 C ALA A 44 3.304 4.547 6.735 1.00 0.00 C ATOM 655 O ALA A 44 2.947 3.372 6.740 1.00 0.00 O ATOM 656 CB ALA A 44 4.959 4.910 4.848 1.00 0.00 C ATOM 0 H ALA A 44 4.374 7.196 5.648 1.00 0.00 H new ATOM 0 HA ALA A 44 2.817 4.944 4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.031 3.829 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.105 5.396 3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.727 5.247 5.544 1.00 0.00 H new ATOM 662 N PHE A 45 3.521 5.266 7.861 1.00 0.00 N ATOM 663 CA PHE A 45 3.089 4.831 9.206 1.00 0.00 C ATOM 664 C PHE A 45 1.555 4.804 9.271 1.00 0.00 C ATOM 665 O PHE A 45 0.967 3.859 9.789 1.00 0.00 O ATOM 666 CB PHE A 45 3.661 5.762 10.327 1.00 0.00 C ATOM 667 CG PHE A 45 4.969 5.283 10.949 1.00 0.00 C ATOM 668 CD1 PHE A 45 4.956 4.268 11.896 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.196 5.847 10.604 1.00 0.00 C ATOM 670 CE1 PHE A 45 6.124 3.833 12.486 1.00 0.00 C ATOM 671 CE2 PHE A 45 7.369 5.411 11.190 1.00 0.00 C ATOM 672 CZ PHE A 45 7.333 4.401 12.133 1.00 0.00 C ATOM 0 H PHE A 45 4.002 6.166 7.860 1.00 0.00 H new ATOM 0 HA PHE A 45 3.481 3.829 9.380 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.816 6.757 9.910 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.914 5.860 11.115 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.017 3.812 12.175 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.230 6.636 9.868 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.094 3.047 13.226 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.312 5.858 10.912 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.248 4.057 12.593 1.00 0.00 H new ATOM 682 N ALA A 46 0.921 5.845 8.713 1.00 0.00 N ATOM 683 CA ALA A 46 -0.545 5.961 8.682 1.00 0.00 C ATOM 684 C ALA A 46 -1.156 4.887 7.753 1.00 0.00 C ATOM 685 O ALA A 46 -2.184 4.301 8.075 1.00 0.00 O ATOM 686 CB ALA A 46 -0.955 7.377 8.261 1.00 0.00 C ATOM 0 H ALA A 46 1.406 6.627 8.273 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.937 5.785 9.684 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.042 7.450 8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.555 8.099 8.973 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.559 7.590 7.268 1.00 0.00 H new ATOM 692 N ILE A 47 -0.483 4.626 6.619 1.00 0.00 N ATOM 693 CA ILE A 47 -0.866 3.561 5.662 1.00 0.00 C ATOM 694 C ILE A 47 -0.746 2.166 6.319 1.00 0.00 C ATOM 695 O ILE A 47 -1.622 1.300 6.150 1.00 0.00 O ATOM 696 CB ILE A 47 0.027 3.650 4.363 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.307 4.949 3.548 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.109 2.389 3.485 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.628 5.246 2.382 1.00 0.00 C ATOM 0 H ILE A 47 0.346 5.147 6.335 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.907 3.708 5.376 1.00 0.00 H new ATOM 0 HB ILE A 47 1.068 3.705 4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.324 4.866 3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.292 5.799 4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.521 2.491 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.203 1.514 4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.148 2.270 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.311 6.163 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.645 5.368 2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.598 4.420 1.672 1.00 0.00 H new ATOM 711 N ASP A 48 0.353 1.989 7.071 1.00 0.00 N ATOM 712 CA ASP A 48 0.654 0.762 7.841 1.00 0.00 C ATOM 713 C ASP A 48 -0.523 0.384 8.763 1.00 0.00 C ATOM 714 O ASP A 48 -1.039 -0.738 8.724 1.00 0.00 O ATOM 715 CB ASP A 48 1.937 1.025 8.684 1.00 0.00 C ATOM 716 CG ASP A 48 2.454 -0.169 9.504 1.00 0.00 C ATOM 717 OD1 ASP A 48 1.879 -0.479 10.576 1.00 0.00 O ATOM 718 OD2 ASP A 48 3.469 -0.769 9.113 1.00 0.00 O ATOM 0 H ASP A 48 1.073 2.706 7.165 1.00 0.00 H new ATOM 0 HA ASP A 48 0.812 -0.071 7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.731 1.351 8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.738 1.851 9.366 1.00 0.00 H new ATOM 723 N LYS A 49 -0.942 1.378 9.553 1.00 0.00 N ATOM 724 CA LYS A 49 -1.991 1.233 10.573 1.00 0.00 C ATOM 725 C LYS A 49 -3.377 1.046 9.921 1.00 0.00 C ATOM 726 O LYS A 49 -4.140 0.153 10.318 1.00 0.00 O ATOM 727 CB LYS A 49 -1.962 2.487 11.492 1.00 0.00 C ATOM 728 CG LYS A 49 -0.609 2.694 12.231 1.00 0.00 C ATOM 729 CD LYS A 49 -0.425 4.131 12.773 1.00 0.00 C ATOM 730 CE LYS A 49 0.933 4.362 13.468 1.00 0.00 C ATOM 731 NZ LYS A 49 1.115 5.785 13.861 1.00 0.00 N ATOM 0 H LYS A 49 -0.557 2.321 9.503 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.802 0.341 11.171 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.176 3.371 10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.759 2.403 12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.543 1.989 13.060 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.209 2.462 11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.526 4.837 11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.226 4.349 13.479 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.002 3.729 14.352 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.740 4.063 12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.038 5.902 14.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.075 6.387 13.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.359 6.063 14.519 1.00 0.00 H new ATOM 745 N ALA A 50 -3.681 1.900 8.919 1.00 0.00 N ATOM 746 CA ALA A 50 -4.981 1.914 8.213 1.00 0.00 C ATOM 747 C ALA A 50 -5.316 0.566 7.551 1.00 0.00 C ATOM 748 O ALA A 50 -6.307 -0.086 7.910 1.00 0.00 O ATOM 749 CB ALA A 50 -5.001 3.039 7.158 1.00 0.00 C ATOM 0 H ALA A 50 -3.027 2.603 8.575 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.747 2.099 8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.963 3.040 6.645 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.851 4.001 7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.203 2.873 6.434 1.00 0.00 H new ATOM 755 N PHE A 51 -4.465 0.157 6.598 1.00 0.00 N ATOM 756 CA PHE A 51 -4.699 -1.035 5.767 1.00 0.00 C ATOM 757 C PHE A 51 -4.240 -2.330 6.475 1.00 0.00 C ATOM 758 O PHE A 51 -4.473 -3.430 5.952 1.00 0.00 O ATOM 759 CB PHE A 51 -3.952 -0.886 4.429 1.00 0.00 C ATOM 760 CG PHE A 51 -4.397 0.280 3.550 1.00 0.00 C ATOM 761 CD1 PHE A 51 -3.827 1.550 3.694 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.341 0.094 2.543 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.191 2.587 2.860 1.00 0.00 C ATOM 764 CE2 PHE A 51 -5.692 1.131 1.706 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.117 2.372 1.860 1.00 0.00 C ATOM 0 H PHE A 51 -3.595 0.643 6.381 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.772 -1.113 5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.888 -0.774 4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.070 -1.810 3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.093 1.720 4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.803 -0.874 2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.752 3.565 2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.421 0.969 0.926 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.391 3.179 1.197 1.00 0.00 H new ATOM 775 N GLY A 52 -3.574 -2.186 7.643 1.00 0.00 N ATOM 776 CA GLY A 52 -3.079 -3.333 8.415 1.00 0.00 C ATOM 777 C GLY A 52 -1.927 -4.074 7.739 1.00 0.00 C ATOM 778 O GLY A 52 -1.772 -5.281 7.920 1.00 0.00 O ATOM 0 H GLY A 52 -3.370 -1.281 8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.752 -2.986 9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.900 -4.030 8.581 1.00 0.00 H new ATOM 782 N ILE A 53 -1.102 -3.333 6.976 1.00 0.00 N ATOM 783 CA ILE A 53 0.035 -3.887 6.200 1.00 0.00 C ATOM 784 C ILE A 53 1.327 -3.140 6.551 1.00 0.00 C ATOM 785 O ILE A 53 1.349 -2.347 7.491 1.00 0.00 O ATOM 786 CB ILE A 53 -0.251 -3.836 4.636 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.754 -2.418 4.149 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.241 -4.943 4.238 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.326 -1.374 3.911 1.00 0.00 C ATOM 0 H ILE A 53 -1.203 -2.323 6.877 1.00 0.00 H new ATOM 0 HA ILE A 53 0.156 -4.936 6.472 1.00 0.00 H new ATOM 0 HB ILE A 53 0.699 -4.012 4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.313 -2.551 3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.452 -2.028 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.427 -4.896 3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.820 -5.916 4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.179 -4.803 4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.134 -0.443 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.873 -1.199 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.014 -1.731 3.145 1.00 0.00 H new ATOM 801 N LYS A 54 2.408 -3.426 5.809 1.00 0.00 N ATOM 802 CA LYS A 54 3.646 -2.646 5.887 1.00 0.00 C ATOM 803 C LYS A 54 4.265 -2.524 4.491 1.00 0.00 C ATOM 804 O LYS A 54 4.520 -3.539 3.830 1.00 0.00 O ATOM 805 CB LYS A 54 4.634 -3.289 6.896 1.00 0.00 C ATOM 806 CG LYS A 54 5.743 -2.324 7.359 1.00 0.00 C ATOM 807 CD LYS A 54 6.549 -2.854 8.569 1.00 0.00 C ATOM 808 CE LYS A 54 7.285 -1.732 9.323 1.00 0.00 C ATOM 809 NZ LYS A 54 6.334 -0.706 9.817 1.00 0.00 N ATOM 0 H LYS A 54 2.446 -4.199 5.144 1.00 0.00 H new ATOM 0 HA LYS A 54 3.419 -1.644 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.078 -3.638 7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.092 -4.166 6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.425 -2.140 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.295 -1.366 7.621 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.874 -3.366 9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.274 -3.592 8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.836 -2.155 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.017 -1.266 8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.484 0.184 9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.359 -1.034 9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.491 -0.548 10.833 1.00 0.00 H new ATOM 823 N LEU A 55 4.490 -1.282 4.041 1.00 0.00 N ATOM 824 CA LEU A 55 5.170 -1.008 2.768 1.00 0.00 C ATOM 825 C LEU A 55 6.686 -1.243 2.941 1.00 0.00 C ATOM 826 O LEU A 55 7.252 -0.791 3.950 1.00 0.00 O ATOM 827 CB LEU A 55 4.905 0.453 2.322 1.00 0.00 C ATOM 828 CG LEU A 55 3.409 0.876 2.183 1.00 0.00 C ATOM 829 CD1 LEU A 55 3.275 2.353 1.736 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.651 -0.067 1.224 1.00 0.00 C ATOM 0 H LEU A 55 4.207 -0.443 4.547 1.00 0.00 H new ATOM 0 HA LEU A 55 4.783 -1.678 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.384 1.121 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.395 0.611 1.361 1.00 0.00 H new ATOM 0 HG LEU A 55 2.951 0.790 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.220 2.613 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.749 3.001 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.762 2.486 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.612 0.252 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.115 -0.034 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.690 -1.086 1.609 1.00 0.00 H new ATOM 842 N PRO A 56 7.366 -1.997 2.013 1.00 0.00 N ATOM 843 CA PRO A 56 8.838 -2.125 2.023 1.00 0.00 C ATOM 844 C PRO A 56 9.520 -0.816 1.573 1.00 0.00 C ATOM 845 O PRO A 56 9.977 -0.708 0.433 1.00 0.00 O ATOM 846 CB PRO A 56 9.123 -3.318 1.052 1.00 0.00 C ATOM 847 CG PRO A 56 7.777 -3.932 0.783 1.00 0.00 C ATOM 848 CD PRO A 56 6.777 -2.809 0.928 1.00 0.00 C ATOM 0 HA PRO A 56 9.241 -2.312 3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.591 -2.973 0.130 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.803 -4.040 1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.737 -4.365 -0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.566 -4.737 1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.671 -2.238 0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.786 -3.179 1.190 1.00 0.00 H new ATOM 856 N LEU A 57 9.545 0.178 2.487 1.00 0.00 N ATOM 857 CA LEU A 57 10.141 1.512 2.252 1.00 0.00 C ATOM 858 C LEU A 57 11.588 1.394 1.772 1.00 0.00 C ATOM 859 O LEU A 57 11.930 1.922 0.721 1.00 0.00 O ATOM 860 CB LEU A 57 10.079 2.381 3.560 1.00 0.00 C ATOM 861 CG LEU A 57 8.829 3.305 3.738 1.00 0.00 C ATOM 862 CD1 LEU A 57 8.771 4.386 2.637 1.00 0.00 C ATOM 863 CD2 LEU A 57 7.529 2.490 3.788 1.00 0.00 C ATOM 0 H LEU A 57 9.147 0.076 3.421 1.00 0.00 H new ATOM 0 HA LEU A 57 9.560 2.003 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.128 1.709 4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.971 3.007 3.594 1.00 0.00 H new ATOM 0 HG LEU A 57 8.932 3.814 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.892 5.012 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.668 5.003 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.712 3.907 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.682 3.164 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.414 1.930 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.567 1.796 4.628 1.00 0.00 H new ATOM 875 N GLU A 58 12.400 0.668 2.553 1.00 0.00 N ATOM 876 CA GLU A 58 13.835 0.494 2.299 1.00 0.00 C ATOM 877 C GLU A 58 14.084 -0.108 0.899 1.00 0.00 C ATOM 878 O GLU A 58 14.877 0.427 0.125 1.00 0.00 O ATOM 879 CB GLU A 58 14.452 -0.426 3.385 1.00 0.00 C ATOM 880 CG GLU A 58 15.966 -0.677 3.216 1.00 0.00 C ATOM 881 CD GLU A 58 16.473 -1.950 3.920 1.00 0.00 C ATOM 882 OE1 GLU A 58 15.888 -3.034 3.692 1.00 0.00 O ATOM 883 OE2 GLU A 58 17.464 -1.885 4.678 1.00 0.00 O ATOM 0 H GLU A 58 12.074 0.180 3.388 1.00 0.00 H new ATOM 0 HA GLU A 58 14.310 1.474 2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.276 0.018 4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.932 -1.384 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.196 -0.746 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.512 0.183 3.605 1.00 0.00 H new ATOM 890 N LYS A 59 13.360 -1.202 0.594 1.00 0.00 N ATOM 891 CA LYS A 59 13.492 -1.941 -0.679 1.00 0.00 C ATOM 892 C LYS A 59 13.204 -1.012 -1.865 1.00 0.00 C ATOM 893 O LYS A 59 14.033 -0.869 -2.761 1.00 0.00 O ATOM 894 CB LYS A 59 12.523 -3.155 -0.709 1.00 0.00 C ATOM 895 CG LYS A 59 12.745 -4.130 -1.890 1.00 0.00 C ATOM 896 CD LYS A 59 11.700 -5.272 -1.935 1.00 0.00 C ATOM 897 CE LYS A 59 10.292 -4.793 -2.331 1.00 0.00 C ATOM 898 NZ LYS A 59 10.259 -4.256 -3.711 1.00 0.00 N ATOM 0 H LYS A 59 12.665 -1.600 1.225 1.00 0.00 H new ATOM 0 HA LYS A 59 14.515 -2.309 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.626 -3.708 0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.499 -2.784 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.707 -3.573 -2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.743 -4.561 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.031 -6.030 -2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.652 -5.750 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.590 -5.622 -2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.961 -4.023 -1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.281 -4.007 -3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.858 -3.408 -3.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.615 -4.976 -4.372 1.00 0.00 H new ATOM 912 N TRP A 60 12.041 -0.340 -1.791 1.00 0.00 N ATOM 913 CA TRP A 60 11.563 0.602 -2.819 1.00 0.00 C ATOM 914 C TRP A 60 12.547 1.766 -3.013 1.00 0.00 C ATOM 915 O TRP A 60 12.827 2.150 -4.146 1.00 0.00 O ATOM 916 CB TRP A 60 10.158 1.144 -2.448 1.00 0.00 C ATOM 917 CG TRP A 60 9.034 0.125 -2.501 1.00 0.00 C ATOM 918 CD1 TRP A 60 9.098 -1.179 -2.917 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.673 0.356 -2.130 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.864 -1.760 -2.822 1.00 0.00 N ATOM 921 CE2 TRP A 60 6.974 -0.840 -2.341 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.978 1.464 -1.626 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.620 -0.970 -2.087 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.629 1.335 -1.373 1.00 0.00 C ATOM 925 CH2 TRP A 60 4.963 0.125 -1.602 1.00 0.00 C ATOM 0 H TRP A 60 11.398 -0.437 -1.005 1.00 0.00 H new ATOM 0 HA TRP A 60 11.495 0.058 -3.761 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.202 1.560 -1.442 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.914 1.965 -3.122 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.991 -1.675 -3.268 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.643 -2.724 -3.070 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.488 2.398 -1.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.103 -1.901 -2.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 5.077 2.181 -0.992 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.906 0.056 -1.390 1.00 0.00 H new ATOM 936 N THR A 61 13.094 2.276 -1.891 1.00 0.00 N ATOM 937 CA THR A 61 14.047 3.399 -1.888 1.00 0.00 C ATOM 938 C THR A 61 15.328 3.016 -2.649 1.00 0.00 C ATOM 939 O THR A 61 15.811 3.789 -3.472 1.00 0.00 O ATOM 940 CB THR A 61 14.394 3.851 -0.422 1.00 0.00 C ATOM 941 OG1 THR A 61 13.196 4.281 0.252 1.00 0.00 O ATOM 942 CG2 THR A 61 15.430 4.991 -0.372 1.00 0.00 C ATOM 0 H THR A 61 12.885 1.918 -0.959 1.00 0.00 H new ATOM 0 HA THR A 61 13.575 4.241 -2.394 1.00 0.00 H new ATOM 0 HB THR A 61 14.832 2.986 0.075 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.727 3.501 0.614 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.627 5.258 0.666 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.356 4.662 -0.844 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.041 5.860 -0.902 1.00 0.00 H new ATOM 950 N GLN A 62 15.816 1.780 -2.432 1.00 0.00 N ATOM 951 CA GLN A 62 17.079 1.309 -3.027 1.00 0.00 C ATOM 952 C GLN A 62 16.901 1.085 -4.537 1.00 0.00 C ATOM 953 O GLN A 62 17.761 1.465 -5.319 1.00 0.00 O ATOM 954 CB GLN A 62 17.543 0.004 -2.333 1.00 0.00 C ATOM 955 CG GLN A 62 17.887 0.176 -0.841 1.00 0.00 C ATOM 956 CD GLN A 62 18.259 -1.141 -0.153 1.00 0.00 C ATOM 957 OE1 GLN A 62 17.261 -1.843 0.361 1.00 0.00 O flip ATOM 958 NE2 GLN A 62 19.429 -1.521 -0.079 1.00 0.00 N flip ATOM 0 H GLN A 62 15.351 1.087 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 62 17.845 2.070 -2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.758 -0.746 -2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.419 -0.382 -2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.717 0.876 -0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.034 0.619 -0.327 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.175 -0.957 -0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.651 -2.400 0.389 1.00 0.00 H new ATOM 967 N GLU A 63 15.748 0.498 -4.921 1.00 0.00 N ATOM 968 CA GLU A 63 15.395 0.242 -6.340 1.00 0.00 C ATOM 969 C GLU A 63 15.334 1.556 -7.142 1.00 0.00 C ATOM 970 O GLU A 63 15.821 1.625 -8.273 1.00 0.00 O ATOM 971 CB GLU A 63 14.043 -0.513 -6.425 1.00 0.00 C ATOM 972 CG GLU A 63 14.062 -1.903 -5.768 1.00 0.00 C ATOM 973 CD GLU A 63 12.677 -2.571 -5.697 1.00 0.00 C ATOM 974 OE1 GLU A 63 11.829 -2.120 -4.898 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.433 -3.554 -6.426 1.00 0.00 O ATOM 0 H GLU A 63 15.035 0.188 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 63 16.174 -0.381 -6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.270 0.092 -5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.764 -0.621 -7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.740 -2.550 -6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.465 -1.813 -4.759 1.00 0.00 H new ATOM 982 N VAL A 64 14.743 2.593 -6.521 1.00 0.00 N ATOM 983 CA VAL A 64 14.694 3.954 -7.082 1.00 0.00 C ATOM 984 C VAL A 64 16.132 4.490 -7.320 1.00 0.00 C ATOM 985 O VAL A 64 16.478 4.889 -8.438 1.00 0.00 O ATOM 986 CB VAL A 64 13.870 4.913 -6.136 1.00 0.00 C ATOM 987 CG1 VAL A 64 14.047 6.404 -6.503 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.365 4.544 -6.151 1.00 0.00 C ATOM 0 H VAL A 64 14.285 2.510 -5.613 1.00 0.00 H new ATOM 0 HA VAL A 64 14.184 3.921 -8.045 1.00 0.00 H new ATOM 0 HB VAL A 64 14.268 4.771 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.459 7.019 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 64 15.099 6.676 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.708 6.570 -7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.818 5.219 -5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.978 4.636 -7.166 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.239 3.518 -5.806 1.00 0.00 H new ATOM 998 N ASN A 65 16.963 4.441 -6.259 1.00 0.00 N ATOM 999 CA ASN A 65 18.376 4.888 -6.294 1.00 0.00 C ATOM 1000 C ASN A 65 19.225 4.136 -7.345 1.00 0.00 C ATOM 1001 O ASN A 65 20.115 4.726 -7.964 1.00 0.00 O ATOM 1002 CB ASN A 65 19.019 4.730 -4.884 1.00 0.00 C ATOM 1003 CG ASN A 65 18.417 5.651 -3.818 1.00 0.00 C ATOM 1004 OD1 ASN A 65 17.263 6.060 -3.901 1.00 0.00 O ATOM 1005 ND2 ASN A 65 19.191 5.972 -2.798 1.00 0.00 N ATOM 0 H ASN A 65 16.673 4.088 -5.347 1.00 0.00 H new ATOM 0 HA ASN A 65 18.366 5.938 -6.588 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.909 3.695 -4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 65 20.088 4.928 -4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 65 18.833 6.573 -2.056 1.00 0.00 H new ATOM 0 HD22 ASN A 65 20.147 5.619 -2.752 1.00 0.00 H new ATOM 1012 N ASP A 66 18.948 2.835 -7.535 1.00 0.00 N ATOM 1013 CA ASP A 66 19.730 1.964 -8.450 1.00 0.00 C ATOM 1014 C ASP A 66 19.191 1.974 -9.892 1.00 0.00 C ATOM 1015 O ASP A 66 19.736 1.273 -10.755 1.00 0.00 O ATOM 1016 CB ASP A 66 19.748 0.502 -7.919 1.00 0.00 C ATOM 1017 CG ASP A 66 20.510 0.325 -6.595 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.654 0.815 -6.486 1.00 0.00 O ATOM 1019 OD2 ASP A 66 19.994 -0.352 -5.679 1.00 0.00 O ATOM 0 H ASP A 66 18.182 2.353 -7.065 1.00 0.00 H new ATOM 0 HA ASP A 66 20.741 2.370 -8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.721 0.163 -7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 66 20.199 -0.142 -8.674 1.00 0.00 H new ATOM 1024 N GLY A 67 18.133 2.766 -10.149 1.00 0.00 N ATOM 1025 CA GLY A 67 17.471 2.784 -11.464 1.00 0.00 C ATOM 1026 C GLY A 67 16.793 1.468 -11.853 1.00 0.00 C ATOM 1027 O GLY A 67 16.490 1.235 -13.030 1.00 0.00 O ATOM 0 H GLY A 67 17.720 3.400 -9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 67 16.724 3.578 -11.470 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.210 3.036 -12.225 1.00 0.00 H new ATOM 1031 N LYS A 68 16.559 0.604 -10.852 1.00 0.00 N ATOM 1032 CA LYS A 68 15.768 -0.630 -11.016 1.00 0.00 C ATOM 1033 C LYS A 68 14.268 -0.280 -11.062 1.00 0.00 C ATOM 1034 O LYS A 68 13.450 -1.034 -11.589 1.00 0.00 O ATOM 1035 CB LYS A 68 16.046 -1.600 -9.842 1.00 0.00 C ATOM 1036 CG LYS A 68 17.524 -2.027 -9.680 1.00 0.00 C ATOM 1037 CD LYS A 68 18.091 -2.780 -10.911 1.00 0.00 C ATOM 1038 CE LYS A 68 17.366 -4.105 -11.202 1.00 0.00 C ATOM 1039 NZ LYS A 68 17.944 -4.801 -12.373 1.00 0.00 N ATOM 0 H LYS A 68 16.912 0.740 -9.905 1.00 0.00 H new ATOM 0 HA LYS A 68 16.054 -1.116 -11.949 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.716 -1.129 -8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.438 -2.495 -9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.131 -1.141 -9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.615 -2.665 -8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.020 -2.135 -11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.150 -2.981 -10.749 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.427 -4.753 -10.327 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.309 -3.909 -11.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.429 -5.690 -12.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.863 -4.193 -13.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.947 -5.010 -12.192 1.00 0.00 H new ATOM 1053 N ALA A 69 13.945 0.872 -10.465 1.00 0.00 N ATOM 1054 CA ALA A 69 12.601 1.445 -10.422 1.00 0.00 C ATOM 1055 C ALA A 69 12.690 2.969 -10.521 1.00 0.00 C ATOM 1056 O ALA A 69 13.748 3.551 -10.251 1.00 0.00 O ATOM 1057 CB ALA A 69 11.915 1.031 -9.117 1.00 0.00 C ATOM 0 H ALA A 69 14.636 1.448 -9.984 1.00 0.00 H new ATOM 0 HA ALA A 69 12.014 1.075 -11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.912 1.457 -9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.849 -0.056 -9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.494 1.397 -8.269 1.00 0.00 H new ATOM 1063 N THR A 70 11.588 3.599 -10.941 1.00 0.00 N ATOM 1064 CA THR A 70 11.444 5.061 -10.942 1.00 0.00 C ATOM 1065 C THR A 70 10.827 5.530 -9.616 1.00 0.00 C ATOM 1066 O THR A 70 10.278 4.717 -8.848 1.00 0.00 O ATOM 1067 CB THR A 70 10.557 5.548 -12.145 1.00 0.00 C ATOM 1068 OG1 THR A 70 9.259 4.919 -12.091 1.00 0.00 O ATOM 1069 CG2 THR A 70 11.223 5.255 -13.507 1.00 0.00 C ATOM 0 H THR A 70 10.766 3.108 -11.292 1.00 0.00 H new ATOM 0 HA THR A 70 12.437 5.496 -11.055 1.00 0.00 H new ATOM 0 HB THR A 70 10.446 6.628 -12.053 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.679 5.306 -12.779 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.577 5.607 -14.311 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.183 5.769 -13.561 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.380 4.181 -13.612 1.00 0.00 H new ATOM 1077 N THR A 71 10.933 6.845 -9.359 1.00 0.00 N ATOM 1078 CA THR A 71 10.218 7.504 -8.255 1.00 0.00 C ATOM 1079 C THR A 71 8.699 7.373 -8.486 1.00 0.00 C ATOM 1080 O THR A 71 7.972 6.930 -7.608 1.00 0.00 O ATOM 1081 CB THR A 71 10.608 9.016 -8.148 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.412 9.663 -9.420 1.00 0.00 O ATOM 1083 CG2 THR A 71 12.054 9.215 -7.699 1.00 0.00 C ATOM 0 H THR A 71 11.514 7.478 -9.909 1.00 0.00 H new ATOM 0 HA THR A 71 10.499 7.018 -7.321 1.00 0.00 H new ATOM 0 HB THR A 71 9.962 9.461 -7.391 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.656 10.609 -9.347 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.273 10.281 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.196 8.761 -6.718 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.726 8.745 -8.417 1.00 0.00 H new ATOM 1091 N GLU A 72 8.270 7.753 -9.710 1.00 0.00 N ATOM 1092 CA GLU A 72 6.895 7.581 -10.240 1.00 0.00 C ATOM 1093 C GLU A 72 6.249 6.216 -9.883 1.00 0.00 C ATOM 1094 O GLU A 72 5.087 6.169 -9.444 1.00 0.00 O ATOM 1095 CB GLU A 72 6.957 7.837 -11.791 1.00 0.00 C ATOM 1096 CG GLU A 72 5.739 7.414 -12.659 1.00 0.00 C ATOM 1097 CD GLU A 72 5.837 5.974 -13.212 1.00 0.00 C ATOM 1098 OE1 GLU A 72 6.831 5.667 -13.911 1.00 0.00 O ATOM 1099 OE2 GLU A 72 4.938 5.149 -12.949 1.00 0.00 O ATOM 0 H GLU A 72 8.892 8.204 -10.381 1.00 0.00 H new ATOM 0 HA GLU A 72 6.234 8.303 -9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.120 8.904 -11.945 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.836 7.321 -12.178 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.831 7.503 -12.062 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.641 8.108 -13.494 1.00 0.00 H new ATOM 1106 N GLN A 73 7.038 5.135 -10.028 1.00 0.00 N ATOM 1107 CA GLN A 73 6.573 3.744 -9.802 1.00 0.00 C ATOM 1108 C GLN A 73 5.953 3.527 -8.398 1.00 0.00 C ATOM 1109 O GLN A 73 5.028 2.719 -8.244 1.00 0.00 O ATOM 1110 CB GLN A 73 7.729 2.738 -10.040 1.00 0.00 C ATOM 1111 CG GLN A 73 7.316 1.252 -9.922 1.00 0.00 C ATOM 1112 CD GLN A 73 8.448 0.264 -10.184 1.00 0.00 C ATOM 1113 OE1 GLN A 73 9.342 0.513 -10.986 1.00 0.00 O ATOM 1114 NE2 GLN A 73 8.410 -0.864 -9.502 1.00 0.00 N ATOM 0 H GLN A 73 8.018 5.196 -10.305 1.00 0.00 H new ATOM 0 HA GLN A 73 5.778 3.565 -10.526 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.145 2.909 -11.033 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.524 2.940 -9.322 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.919 1.075 -8.922 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.507 1.055 -10.625 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.651 -1.036 -8.843 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.140 -1.564 -9.633 1.00 0.00 H new ATOM 1123 N TYR A 74 6.448 4.258 -7.385 1.00 0.00 N ATOM 1124 CA TYR A 74 5.977 4.095 -5.987 1.00 0.00 C ATOM 1125 C TYR A 74 5.292 5.357 -5.446 1.00 0.00 C ATOM 1126 O TYR A 74 4.417 5.263 -4.592 1.00 0.00 O ATOM 1127 CB TYR A 74 7.169 3.721 -5.069 1.00 0.00 C ATOM 1128 CG TYR A 74 7.975 2.502 -5.547 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.349 1.276 -5.770 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.340 2.588 -5.807 1.00 0.00 C ATOM 1131 CE1 TYR A 74 8.056 0.182 -6.217 1.00 0.00 C ATOM 1132 CE2 TYR A 74 10.050 1.495 -6.259 1.00 0.00 C ATOM 1133 CZ TYR A 74 9.404 0.299 -6.466 1.00 0.00 C ATOM 1134 OH TYR A 74 10.101 -0.798 -6.924 1.00 0.00 O ATOM 0 H TYR A 74 7.172 4.967 -7.501 1.00 0.00 H new ATOM 0 HA TYR A 74 5.236 3.295 -5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.838 4.578 -4.994 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.792 3.522 -4.066 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.288 1.183 -5.589 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.852 3.526 -5.652 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.555 -0.762 -6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.110 1.578 -6.450 1.00 0.00 H new ATOM 0 HH TYR A 74 10.605 -1.198 -6.184 1.00 0.00 H new ATOM 1144 N PHE A 75 5.692 6.540 -5.943 1.00 0.00 N ATOM 1145 CA PHE A 75 5.305 7.835 -5.347 1.00 0.00 C ATOM 1146 C PHE A 75 4.119 8.494 -6.071 1.00 0.00 C ATOM 1147 O PHE A 75 3.578 9.476 -5.565 1.00 0.00 O ATOM 1148 CB PHE A 75 6.523 8.796 -5.307 1.00 0.00 C ATOM 1149 CG PHE A 75 7.590 8.408 -4.273 1.00 0.00 C ATOM 1150 CD1 PHE A 75 7.486 8.845 -2.949 1.00 0.00 C ATOM 1151 CD2 PHE A 75 8.686 7.616 -4.616 1.00 0.00 C ATOM 1152 CE1 PHE A 75 8.444 8.505 -2.011 1.00 0.00 C ATOM 1153 CE2 PHE A 75 9.642 7.274 -3.674 1.00 0.00 C ATOM 1154 CZ PHE A 75 9.523 7.718 -2.371 1.00 0.00 C ATOM 0 H PHE A 75 6.290 6.628 -6.765 1.00 0.00 H new ATOM 0 HA PHE A 75 4.974 7.630 -4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.983 8.825 -6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.170 9.804 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.646 9.457 -2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.791 7.264 -5.632 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.349 8.855 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.483 6.659 -3.959 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.269 7.452 -1.637 1.00 0.00 H new ATOM 1164 N VAL A 76 3.672 7.941 -7.215 1.00 0.00 N ATOM 1165 CA VAL A 76 2.468 8.466 -7.892 1.00 0.00 C ATOM 1166 C VAL A 76 1.286 7.727 -7.278 1.00 0.00 C ATOM 1167 O VAL A 76 1.272 6.516 -7.276 1.00 0.00 O ATOM 1168 CB VAL A 76 2.505 8.312 -9.452 1.00 0.00 C ATOM 1169 CG1 VAL A 76 1.153 8.692 -10.101 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.640 9.173 -10.043 1.00 0.00 C ATOM 0 H VAL A 76 4.114 7.149 -7.682 1.00 0.00 H new ATOM 0 HA VAL A 76 2.396 9.543 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 76 2.693 7.262 -9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.222 8.571 -11.182 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.368 8.043 -9.713 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.916 9.730 -9.866 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.657 9.059 -11.127 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.471 10.220 -9.791 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.595 8.850 -9.629 1.00 0.00 H new ATOM 1180 N LEU A 77 0.329 8.482 -6.751 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.665 7.991 -5.772 1.00 0.00 C ATOM 1182 C LEU A 77 -1.578 6.856 -6.281 1.00 0.00 C ATOM 1183 O LEU A 77 -2.143 6.122 -5.467 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.514 9.171 -5.287 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.719 10.410 -4.785 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.670 11.477 -4.266 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.358 10.034 -3.733 1.00 0.00 C ATOM 0 H LEU A 77 0.210 9.467 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.093 7.549 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.166 9.486 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.159 8.824 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.178 10.822 -5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.097 12.337 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.341 11.787 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.255 11.073 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.885 10.933 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.122 9.570 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.068 9.334 -4.173 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.737 6.734 -7.612 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.496 5.619 -8.225 1.00 0.00 C ATOM 1201 C LYS A 78 -1.642 4.333 -8.198 1.00 0.00 C ATOM 1202 O LYS A 78 -2.158 3.228 -7.988 1.00 0.00 O ATOM 1203 CB LYS A 78 -2.928 5.971 -9.677 1.00 0.00 C ATOM 1204 CG LYS A 78 -1.760 6.293 -10.636 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.222 6.649 -12.066 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.042 6.977 -13.001 1.00 0.00 C ATOM 1207 NZ LYS A 78 -1.481 7.297 -14.387 1.00 0.00 N ATOM 0 H LYS A 78 -1.351 7.393 -8.288 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.404 5.451 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.496 5.135 -10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.601 6.828 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.185 7.125 -10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.090 5.435 -10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.789 5.815 -12.480 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.897 7.504 -12.024 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.486 7.823 -12.596 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.358 6.129 -13.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.707 7.096 -15.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.307 6.715 -14.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.736 8.303 -14.447 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.320 4.510 -8.388 1.00 0.00 N ATOM 1222 CA ASN A 79 0.668 3.426 -8.276 1.00 0.00 C ATOM 1223 C ASN A 79 0.781 3.008 -6.812 1.00 0.00 C ATOM 1224 O ASN A 79 0.663 1.836 -6.509 1.00 0.00 O ATOM 1225 CB ASN A 79 2.068 3.856 -8.788 1.00 0.00 C ATOM 1226 CG ASN A 79 2.114 4.220 -10.264 1.00 0.00 C ATOM 1227 OD1 ASN A 79 1.153 4.743 -10.827 1.00 0.00 O ATOM 1228 ND2 ASN A 79 3.228 3.935 -10.910 1.00 0.00 N ATOM 0 H ASN A 79 0.091 5.413 -8.624 1.00 0.00 H new ATOM 0 HA ASN A 79 0.327 2.597 -8.895 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.407 4.712 -8.205 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.773 3.045 -8.604 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.310 4.148 -11.904 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.008 3.501 -10.415 1.00 0.00 H new ATOM 1235 N LEU A 80 0.971 4.007 -5.918 1.00 0.00 N ATOM 1236 CA LEU A 80 1.104 3.803 -4.464 1.00 0.00 C ATOM 1237 C LEU A 80 -0.118 3.064 -3.917 1.00 0.00 C ATOM 1238 O LEU A 80 0.034 2.110 -3.166 1.00 0.00 O ATOM 1239 CB LEU A 80 1.296 5.162 -3.725 1.00 0.00 C ATOM 1240 CG LEU A 80 1.521 5.086 -2.173 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.773 4.248 -1.813 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.600 6.502 -1.545 1.00 0.00 C ATOM 0 H LEU A 80 1.036 4.987 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 80 1.990 3.194 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.149 5.675 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.418 5.780 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 80 0.655 4.578 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.893 4.220 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.652 3.233 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.656 4.701 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.756 6.415 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.430 7.051 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.669 7.036 -1.734 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.320 3.476 -4.362 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.588 2.825 -3.982 1.00 0.00 C ATOM 1256 C ALA A 81 -2.591 1.344 -4.386 1.00 0.00 C ATOM 1257 O ALA A 81 -2.960 0.487 -3.591 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.782 3.556 -4.611 1.00 0.00 C ATOM 0 H ALA A 81 -1.439 4.268 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.681 2.880 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.707 3.060 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.799 4.590 -4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.689 3.538 -5.697 1.00 0.00 H new ATOM 1264 N ALA A 82 -2.132 1.064 -5.613 1.00 0.00 N ATOM 1265 CA ALA A 82 -2.061 -0.307 -6.151 1.00 0.00 C ATOM 1266 C ALA A 82 -1.004 -1.159 -5.415 1.00 0.00 C ATOM 1267 O ALA A 82 -1.192 -2.360 -5.236 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.762 -0.256 -7.651 1.00 0.00 C ATOM 0 H ALA A 82 -1.799 1.777 -6.262 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.027 -0.785 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.710 -1.270 -8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.554 0.292 -8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.809 0.247 -7.815 1.00 0.00 H new ATOM 1274 N ARG A 83 0.096 -0.503 -4.992 1.00 0.00 N ATOM 1275 CA ARG A 83 1.204 -1.130 -4.236 1.00 0.00 C ATOM 1276 C ARG A 83 0.708 -1.606 -2.863 1.00 0.00 C ATOM 1277 O ARG A 83 0.956 -2.738 -2.454 1.00 0.00 O ATOM 1278 CB ARG A 83 2.369 -0.123 -4.048 1.00 0.00 C ATOM 1279 CG ARG A 83 3.086 0.342 -5.343 1.00 0.00 C ATOM 1280 CD ARG A 83 4.301 -0.521 -5.738 1.00 0.00 C ATOM 1281 NE ARG A 83 3.982 -1.896 -6.158 1.00 0.00 N ATOM 1282 CZ ARG A 83 4.898 -2.850 -6.381 1.00 0.00 C ATOM 1283 NH1 ARG A 83 6.177 -2.651 -6.074 1.00 0.00 N ATOM 1284 NH2 ARG A 83 4.543 -4.013 -6.873 1.00 0.00 N ATOM 0 H ARG A 83 0.243 0.491 -5.167 1.00 0.00 H new ATOM 0 HA ARG A 83 1.564 -1.988 -4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.982 0.758 -3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.110 -0.575 -3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.369 0.337 -6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.414 1.373 -5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.831 -0.024 -6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.985 -0.566 -4.891 1.00 0.00 H new ATOM 0 HE ARG A 83 3.000 -2.139 -6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.471 -1.765 -5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.864 -3.385 -6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.563 -4.198 -7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.247 -4.733 -7.039 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.013 -0.715 -2.175 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.604 -0.994 -0.860 1.00 0.00 C ATOM 1300 C ILE A 84 -1.627 -2.144 -0.982 1.00 0.00 C ATOM 1301 O ILE A 84 -1.563 -3.133 -0.256 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.324 0.280 -0.293 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.344 1.492 -0.194 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -1.966 -0.014 1.076 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -1.012 2.833 0.022 1.00 0.00 C ATOM 0 H ILE A 84 -0.205 0.227 -2.516 1.00 0.00 H new ATOM 0 HA ILE A 84 0.196 -1.280 -0.177 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.116 0.548 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.352 1.312 0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.247 1.539 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.458 0.885 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.700 -0.813 0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.194 -0.322 1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.253 3.613 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.686 3.042 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.579 2.811 0.953 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.531 -1.974 -1.960 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.654 -2.889 -2.239 1.00 0.00 C ATOM 1319 C ASP A 85 -3.187 -4.335 -2.507 1.00 0.00 C ATOM 1320 O ASP A 85 -3.738 -5.296 -1.950 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.438 -2.337 -3.455 1.00 0.00 C ATOM 1322 CG ASP A 85 -5.615 -3.223 -3.877 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.674 -3.149 -3.228 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -5.484 -4.001 -4.844 1.00 0.00 O ATOM 0 H ASP A 85 -2.502 -1.177 -2.596 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.293 -2.934 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.811 -1.341 -3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.756 -2.227 -4.298 1.00 0.00 H new ATOM 1329 N GLU A 86 -2.151 -4.464 -3.354 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.587 -5.761 -3.753 1.00 0.00 C ATOM 1331 C GLU A 86 -0.825 -6.411 -2.582 1.00 0.00 C ATOM 1332 O GLU A 86 -0.688 -7.625 -2.545 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.661 -5.596 -4.980 1.00 0.00 C ATOM 1334 CG GLU A 86 0.689 -4.917 -4.690 1.00 0.00 C ATOM 1335 CD GLU A 86 1.546 -4.738 -5.937 1.00 0.00 C ATOM 1336 OE1 GLU A 86 2.271 -5.683 -6.314 1.00 0.00 O ATOM 1337 OE2 GLU A 86 1.490 -3.659 -6.573 1.00 0.00 O ATOM 0 H GLU A 86 -1.681 -3.666 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.411 -6.420 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.471 -6.580 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.187 -5.015 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.509 -3.942 -4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.239 -5.511 -3.960 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.313 -5.578 -1.648 1.00 0.00 N ATOM 1345 CA LEU A 87 0.339 -6.056 -0.407 1.00 0.00 C ATOM 1346 C LEU A 87 -0.703 -6.528 0.629 1.00 0.00 C ATOM 1347 O LEU A 87 -0.427 -7.449 1.414 1.00 0.00 O ATOM 1348 CB LEU A 87 1.261 -4.961 0.187 1.00 0.00 C ATOM 1349 CG LEU A 87 2.557 -4.666 -0.632 1.00 0.00 C ATOM 1350 CD1 LEU A 87 3.332 -3.486 -0.027 1.00 0.00 C ATOM 1351 CD2 LEU A 87 3.454 -5.922 -0.746 1.00 0.00 C ATOM 0 H LEU A 87 -0.339 -4.562 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 87 0.958 -6.916 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.689 -4.037 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.548 -5.258 1.196 1.00 0.00 H new ATOM 0 HG LEU A 87 2.253 -4.388 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.230 -3.301 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.703 -2.596 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.613 -3.723 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.347 -5.680 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.744 -6.254 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.903 -6.718 -1.247 1.00 0.00 H new ATOM 1363 N VAL A 88 -1.904 -5.910 0.611 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.049 -6.367 1.434 1.00 0.00 C ATOM 1365 C VAL A 88 -3.501 -7.741 0.909 1.00 0.00 C ATOM 1366 O VAL A 88 -3.770 -8.670 1.677 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.265 -5.352 1.419 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -5.414 -5.852 2.336 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -3.829 -3.921 1.837 1.00 0.00 C ATOM 0 H VAL A 88 -2.107 -5.093 0.036 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.718 -6.431 2.471 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.629 -5.303 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.238 -5.138 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.763 -6.823 1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.049 -5.946 3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.692 -3.256 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.418 -3.946 2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.070 -3.555 1.145 1.00 0.00 H new ATOM 1379 N ALA A 89 -3.491 -7.864 -0.422 1.00 0.00 N ATOM 1380 CA ALA A 89 -3.879 -9.088 -1.130 1.00 0.00 C ATOM 1381 C ALA A 89 -2.769 -10.156 -1.023 1.00 0.00 C ATOM 1382 O ALA A 89 -3.055 -11.348 -1.027 1.00 0.00 O ATOM 1383 CB ALA A 89 -4.186 -8.751 -2.595 1.00 0.00 C ATOM 0 H ALA A 89 -3.210 -7.107 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.775 -9.503 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.475 -9.659 -3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.002 -8.030 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.299 -8.324 -3.064 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.500 -9.720 -0.935 1.00 0.00 N ATOM 1390 CA ALA A 90 -0.345 -10.632 -0.746 1.00 0.00 C ATOM 1391 C ALA A 90 -0.361 -11.267 0.651 1.00 0.00 C ATOM 1392 O ALA A 90 0.122 -12.383 0.847 1.00 0.00 O ATOM 1393 CB ALA A 90 0.982 -9.891 -0.992 1.00 0.00 C ATOM 0 H ALA A 90 -1.241 -8.735 -0.992 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.431 -11.434 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.815 -10.579 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.001 -9.507 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.071 -9.061 -0.291 1.00 0.00 H new ATOM 1399 N LYS A 91 -0.925 -10.532 1.617 1.00 0.00 N ATOM 1400 CA LYS A 91 -1.084 -10.992 3.003 1.00 0.00 C ATOM 1401 C LYS A 91 -2.441 -11.722 3.182 1.00 0.00 C ATOM 1402 O LYS A 91 -2.610 -12.523 4.107 1.00 0.00 O ATOM 1403 CB LYS A 91 -0.971 -9.769 3.955 1.00 0.00 C ATOM 1404 CG LYS A 91 -0.897 -10.117 5.458 1.00 0.00 C ATOM 1405 CD LYS A 91 -0.798 -8.867 6.364 1.00 0.00 C ATOM 1406 CE LYS A 91 -2.043 -7.970 6.273 1.00 0.00 C ATOM 1407 NZ LYS A 91 -3.277 -8.669 6.709 1.00 0.00 N ATOM 0 H LYS A 91 -1.288 -9.592 1.458 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.297 -11.706 3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.082 -9.198 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.830 -9.118 3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.781 -10.691 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.032 -10.757 5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.657 -9.183 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.083 -8.289 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.894 -7.083 6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.166 -7.628 5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.066 -7.992 6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.502 -9.429 6.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.130 -9.076 7.655 1.00 0.00 H new ATOM 1421 N GLY A 92 -3.393 -11.446 2.265 1.00 0.00 N ATOM 1422 CA GLY A 92 -4.767 -11.939 2.379 1.00 0.00 C ATOM 1423 C GLY A 92 -5.024 -13.234 1.605 1.00 0.00 C ATOM 1424 O GLY A 92 -5.364 -14.258 2.207 1.00 0.00 O ATOM 0 H GLY A 92 -3.225 -10.879 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.998 -12.104 3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.450 -11.170 2.019 1.00 0.00 H new ATOM 1428 N ALA A 93 -4.813 -13.191 0.276 1.00 0.00 N ATOM 1429 CA ALA A 93 -5.265 -14.232 -0.680 1.00 0.00 C ATOM 1430 C ALA A 93 -4.965 -13.782 -2.139 1.00 0.00 C ATOM 1431 O ALA A 93 -5.388 -12.694 -2.545 1.00 0.00 O ATOM 1432 CB ALA A 93 -6.771 -14.524 -0.509 1.00 0.00 C ATOM 0 H ALA A 93 -4.317 -12.423 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.717 -15.151 -0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.076 -15.290 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.961 -14.875 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.341 -13.613 -0.690 1.00 0.00 H new ATOM 1438 N LEU A 94 -4.199 -14.599 -2.907 1.00 0.00 N ATOM 1439 CA LEU A 94 -3.855 -14.304 -4.331 1.00 0.00 C ATOM 1440 C LEU A 94 -4.192 -15.483 -5.261 1.00 0.00 C ATOM 1441 O LEU A 94 -3.463 -15.752 -6.226 1.00 0.00 O ATOM 1442 CB LEU A 94 -2.339 -13.924 -4.473 1.00 0.00 C ATOM 1443 CG LEU A 94 -1.891 -12.562 -3.859 1.00 0.00 C ATOM 1444 CD1 LEU A 94 -0.369 -12.355 -3.993 1.00 0.00 C ATOM 1445 CD2 LEU A 94 -2.662 -11.379 -4.487 1.00 0.00 C ATOM 0 H LEU A 94 -3.803 -15.475 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.465 -13.453 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.747 -14.715 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.090 -13.916 -5.534 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.132 -12.594 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.092 -11.396 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.154 -13.157 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.092 -12.366 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.325 -10.445 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.475 -11.352 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.730 -11.504 -4.307 1.00 0.00 H new ATOM 1457 N GLU A 95 -5.321 -16.148 -5.001 1.00 0.00 N ATOM 1458 CA GLU A 95 -5.846 -17.203 -5.892 1.00 0.00 C ATOM 1459 C GLU A 95 -6.763 -16.562 -6.976 1.00 0.00 C ATOM 1460 O GLU A 95 -7.729 -15.857 -6.645 1.00 0.00 O ATOM 1461 CB GLU A 95 -6.603 -18.311 -5.083 1.00 0.00 C ATOM 1462 CG GLU A 95 -7.935 -17.891 -4.408 1.00 0.00 C ATOM 1463 CD GLU A 95 -7.773 -16.973 -3.193 1.00 0.00 C ATOM 1464 OE1 GLU A 95 -7.568 -17.487 -2.074 1.00 0.00 O ATOM 1465 OE2 GLU A 95 -7.812 -15.734 -3.361 1.00 0.00 O ATOM 0 H GLU A 95 -5.897 -15.978 -4.177 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.008 -17.693 -6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.810 -19.143 -5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.933 -18.686 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.558 -17.387 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.470 -18.789 -4.099 1.00 0.00 H new ATOM 1472 N HIS A 96 -6.411 -16.770 -8.269 1.00 0.00 N ATOM 1473 CA HIS A 96 -7.191 -16.271 -9.438 1.00 0.00 C ATOM 1474 C HIS A 96 -6.547 -16.745 -10.772 1.00 0.00 C ATOM 1475 O HIS A 96 -6.929 -16.250 -11.844 1.00 0.00 O ATOM 1476 CB HIS A 96 -7.280 -14.709 -9.429 1.00 0.00 C ATOM 1477 CG HIS A 96 -5.977 -13.999 -9.720 1.00 0.00 C ATOM 1478 ND1 HIS A 96 -5.816 -13.140 -10.785 1.00 0.00 N ATOM 1479 CD2 HIS A 96 -4.773 -14.054 -9.106 1.00 0.00 C ATOM 1480 CE1 HIS A 96 -4.575 -12.704 -10.815 1.00 0.00 C ATOM 1481 NE2 HIS A 96 -3.919 -13.243 -9.810 1.00 0.00 N ATOM 0 H HIS A 96 -5.575 -17.290 -8.535 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.198 -16.682 -9.360 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -8.020 -14.397 -10.166 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -7.644 -14.385 -8.454 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -4.529 -14.629 -8.225 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -4.164 -12.019 -11.542 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.936 -13.084 -9.590 1.00 0.00 H new ATOM 1490 N HIS A 97 -5.584 -17.709 -10.664 1.00 0.00 N ATOM 1491 CA HIS A 97 -4.644 -18.118 -11.748 1.00 0.00 C ATOM 1492 C HIS A 97 -3.522 -17.043 -11.896 1.00 0.00 C ATOM 1493 O HIS A 97 -3.658 -15.939 -11.361 1.00 0.00 O ATOM 1494 CB HIS A 97 -5.380 -18.426 -13.096 1.00 0.00 C ATOM 1495 CG HIS A 97 -4.562 -19.146 -14.147 1.00 0.00 C ATOM 1496 ND1 HIS A 97 -4.359 -20.509 -14.136 1.00 0.00 N ATOM 1497 CD2 HIS A 97 -3.904 -18.688 -15.243 1.00 0.00 C ATOM 1498 CE1 HIS A 97 -3.624 -20.858 -15.171 1.00 0.00 C ATOM 1499 NE2 HIS A 97 -3.334 -19.771 -15.858 1.00 0.00 N ATOM 0 H HIS A 97 -5.439 -18.233 -9.801 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.175 -19.061 -11.466 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.263 -19.026 -12.876 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.732 -17.485 -13.519 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.842 -17.660 -15.569 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.312 -21.863 -15.415 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -2.775 -19.741 -16.711 1.00 0.00 H new ATOM 1508 N HIS A 98 -2.407 -17.426 -12.571 1.00 0.00 N ATOM 1509 CA HIS A 98 -1.143 -16.635 -12.741 1.00 0.00 C ATOM 1510 C HIS A 98 -0.159 -16.952 -11.589 1.00 0.00 C ATOM 1511 O HIS A 98 1.066 -16.905 -11.779 1.00 0.00 O ATOM 1512 CB HIS A 98 -1.362 -15.096 -12.930 1.00 0.00 C ATOM 1513 CG HIS A 98 -0.163 -14.347 -13.479 1.00 0.00 C ATOM 1514 ND1 HIS A 98 -0.032 -14.003 -14.809 1.00 0.00 N ATOM 1515 CD2 HIS A 98 0.950 -13.865 -12.872 1.00 0.00 C ATOM 1516 CE1 HIS A 98 1.100 -13.353 -14.988 1.00 0.00 C ATOM 1517 NE2 HIS A 98 1.715 -13.251 -13.831 1.00 0.00 N ATOM 0 H HIS A 98 -2.354 -18.333 -13.035 1.00 0.00 H new ATOM 0 HA HIS A 98 -0.700 -16.956 -13.684 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -2.207 -14.943 -13.601 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -1.636 -14.661 -11.969 1.00 0.00 H new ATOM 0 HD2 HIS A 98 1.191 -13.949 -11.823 1.00 0.00 H new ATOM 0 HE1 HIS A 98 1.462 -12.968 -15.930 1.00 0.00 H new ATOM 0 HE2 HIS A 98 2.612 -12.792 -13.672 1.00 0.00 H new ATOM 1526 N HIS A 99 -0.727 -17.246 -10.397 1.00 0.00 N ATOM 1527 CA HIS A 99 -0.035 -17.874 -9.247 1.00 0.00 C ATOM 1528 C HIS A 99 0.944 -16.912 -8.538 1.00 0.00 C ATOM 1529 O HIS A 99 1.993 -16.577 -9.083 1.00 0.00 O ATOM 1530 CB HIS A 99 0.676 -19.197 -9.676 1.00 0.00 C ATOM 1531 CG HIS A 99 1.360 -19.959 -8.568 1.00 0.00 C ATOM 1532 ND1 HIS A 99 0.712 -20.881 -7.778 1.00 0.00 N ATOM 1533 CD2 HIS A 99 2.649 -19.952 -8.146 1.00 0.00 C ATOM 1534 CE1 HIS A 99 1.567 -21.401 -6.920 1.00 0.00 C ATOM 1535 NE2 HIS A 99 2.751 -20.860 -7.126 1.00 0.00 N ATOM 0 H HIS A 99 -1.708 -17.047 -10.203 1.00 0.00 H new ATOM 0 HA HIS A 99 -0.804 -18.121 -8.515 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -0.062 -19.851 -10.140 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.416 -18.959 -10.440 1.00 0.00 H new ATOM 0 HD2 HIS A 99 3.448 -19.342 -8.542 1.00 0.00 H new ATOM 0 HE1 HIS A 99 1.336 -22.146 -6.173 1.00 0.00 H new ATOM 0 HE2 HIS A 99 3.603 -21.081 -6.611 1.00 0.00 H new ATOM 1544 N HIS A 100 0.567 -16.468 -7.327 1.00 0.00 N ATOM 1545 CA HIS A 100 1.448 -15.716 -6.404 1.00 0.00 C ATOM 1546 C HIS A 100 1.081 -16.067 -4.952 1.00 0.00 C ATOM 1547 O HIS A 100 -0.032 -16.543 -4.690 1.00 0.00 O ATOM 1548 CB HIS A 100 1.356 -14.176 -6.613 1.00 0.00 C ATOM 1549 CG HIS A 100 2.030 -13.657 -7.857 1.00 0.00 C ATOM 1550 ND1 HIS A 100 1.381 -12.928 -8.824 1.00 0.00 N ATOM 1551 CD2 HIS A 100 3.322 -13.743 -8.261 1.00 0.00 C ATOM 1552 CE1 HIS A 100 2.233 -12.594 -9.774 1.00 0.00 C ATOM 1553 NE2 HIS A 100 3.415 -13.076 -9.451 1.00 0.00 N ATOM 0 H HIS A 100 -0.369 -16.621 -6.953 1.00 0.00 H new ATOM 0 HA HIS A 100 2.476 -16.008 -6.619 1.00 0.00 H new ATOM 0 HB2 HIS A 100 0.304 -13.892 -6.643 1.00 0.00 H new ATOM 0 HB3 HIS A 100 1.796 -13.681 -5.747 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.125 -14.244 -7.741 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.001 -12.024 -10.662 1.00 0.00 H new ATOM 0 HE2 HIS A 100 4.267 -12.969 -10.002 1.00 0.00 H new ATOM 1562 N HIS A 101 2.020 -15.778 -4.033 1.00 0.00 N ATOM 1563 CA HIS A 101 1.947 -16.125 -2.601 1.00 0.00 C ATOM 1564 C HIS A 101 1.823 -17.667 -2.410 1.00 0.00 C ATOM 1565 O HIS A 101 0.688 -18.198 -2.359 1.00 0.00 O ATOM 1566 CB HIS A 101 0.823 -15.331 -1.853 1.00 0.00 C ATOM 1567 CG HIS A 101 0.835 -15.537 -0.350 1.00 0.00 C ATOM 1568 ND1 HIS A 101 1.581 -14.763 0.511 1.00 0.00 N ATOM 1569 CD2 HIS A 101 0.203 -16.442 0.437 1.00 0.00 C ATOM 1570 CE1 HIS A 101 1.413 -15.188 1.747 1.00 0.00 C ATOM 1571 NE2 HIS A 101 0.585 -16.207 1.729 1.00 0.00 N ATOM 1572 OXT HIS A 101 2.865 -18.344 -2.330 1.00 0.00 O ATOM 0 H HIS A 101 2.878 -15.281 -4.273 1.00 0.00 H new ATOM 0 HA HIS A 101 2.883 -15.815 -2.137 1.00 0.00 H new ATOM 0 HB2 HIS A 101 0.936 -14.268 -2.067 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -0.148 -15.634 -2.246 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -0.479 -17.210 0.104 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.878 -14.769 2.627 1.00 0.00 H new ATOM 0 HE2 HIS A 101 0.277 -16.736 2.545 1.00 0.00 H new TER 1581 HIS A 101 HETATM 1582 P24 PNS A 102 14.230 9.791 4.022 1.00 0.00 P HETATM 1583 O25 PNS A 102 13.989 8.794 2.968 1.00 0.00 O HETATM 1584 O26 PNS A 102 14.523 9.307 5.392 1.00 0.00 O HETATM 1585 O27 PNS A 102 15.305 10.894 3.542 1.00 0.00 O HETATM 1586 C28 PNS A 102 15.809 11.927 4.395 1.00 0.00 C HETATM 1587 C29 PNS A 102 16.331 13.177 3.580 1.00 0.00 C HETATM 1588 C30 PNS A 102 17.061 14.134 4.575 1.00 0.00 C HETATM 1589 C31 PNS A 102 15.105 13.922 2.975 1.00 0.00 C HETATM 1590 C32 PNS A 102 17.341 12.711 2.434 1.00 0.00 C HETATM 1591 O33 PNS A 102 16.660 11.860 1.492 1.00 0.00 O HETATM 1592 C34 PNS A 102 17.951 13.910 1.645 1.00 0.00 C HETATM 1593 O35 PNS A 102 19.096 14.306 1.886 1.00 0.00 O HETATM 1594 N36 PNS A 102 17.139 14.476 0.726 1.00 0.00 N HETATM 1595 C37 PNS A 102 17.524 15.617 -0.138 1.00 0.00 C HETATM 1596 C38 PNS A 102 18.498 15.222 -1.247 1.00 0.00 C HETATM 1597 C39 PNS A 102 18.769 16.345 -2.260 1.00 0.00 C HETATM 1598 O40 PNS A 102 18.461 16.208 -3.449 1.00 0.00 O HETATM 1599 N41 PNS A 102 19.327 17.469 -1.776 1.00 0.00 N HETATM 1600 C42 PNS A 102 19.643 18.634 -2.627 1.00 0.00 C HETATM 1601 C43 PNS A 102 20.311 19.750 -1.827 1.00 0.00 C HETATM 1602 S44 PNS A 102 21.826 19.199 -1.025 1.00 0.00 S HETATM 0 H432 PNS A 102 20.536 20.585 -2.490 1.00 0.00 H new HETATM 0 H431 PNS A 102 19.616 20.120 -1.073 1.00 0.00 H new HETATM 0 H422 PNS A 102 18.728 19.011 -3.084 1.00 0.00 H new HETATM 0 H421 PNS A 102 20.300 18.324 -3.439 1.00 0.00 H new HETATM 0 H382 PNS A 102 18.101 14.356 -1.776 1.00 0.00 H new HETATM 0 H381 PNS A 102 19.442 14.915 -0.797 1.00 0.00 H new HETATM 0 H372 PNS A 102 17.977 16.395 0.477 1.00 0.00 H new HETATM 0 H371 PNS A 102 16.627 16.046 -0.585 1.00 0.00 H new HETATM 0 H313 PNS A 102 15.448 14.788 2.409 1.00 0.00 H new HETATM 0 H312 PNS A 102 14.447 14.252 3.779 1.00 0.00 H new HETATM 0 H311 PNS A 102 14.560 13.249 2.313 1.00 0.00 H new HETATM 0 H303 PNS A 102 17.431 15.006 4.036 1.00 0.00 H new HETATM 0 H302 PNS A 102 17.898 13.610 5.036 1.00 0.00 H new HETATM 0 H301 PNS A 102 16.364 14.455 5.349 1.00 0.00 H new HETATM 0 H282 PNS A 102 16.620 11.529 5.004 1.00 0.00 H new HETATM 0 H281 PNS A 102 15.023 12.245 5.080 1.00 0.00 H new HETATM 0 H44 PNS A 102 22.351 20.187 -0.363 1.00 0.00 H new HETATM 0 H41 PNS A 102 19.541 17.519 -0.780 1.00 0.00 H new HETATM 0 H36 PNS A 102 16.200 14.093 0.620 1.00 0.00 H new HETATM 0 H33 PNS A 102 16.105 11.214 1.977 1.00 0.00 H new HETATM 0 H32 PNS A 102 18.150 12.179 2.935 1.00 0.00 H new