USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 572 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 41 GLN : amide:sc= -4.14! K(o=-21!,f=-18) USER MOD Set 1.2: A 45 ASN : amide:sc= -16.7! C(o=-21!,f=-21!) USER MOD Set 2.1: A 22 MET CE :methyl -175:sc= -8.05! (180deg=-5.68!) USER MOD Set 2.2: A 65 MET CE :methyl 174:sc= -3.85 (180deg=-1.7) USER MOD Single : A 1 THR N :NH3+ -171:sc= 0 (180deg=-0.096) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -7:sc= 0.426 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 150:sc= -1.97 USER MOD Single : A 18 GLN : amide:sc= -0.857 K(o=-0.86,f=-3.4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.63 K(o=-1.6,f=-1) USER MOD Single : A 34 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.425) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 6:sc= 0.112! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -6.830 42.486 17.400 1.00 0.00 N ATOM 2 CA THR A 1 -7.415 43.194 18.527 1.00 0.00 C ATOM 3 C THR A 1 -7.749 42.216 19.655 1.00 0.00 C ATOM 4 O THR A 1 -7.448 42.479 20.818 1.00 0.00 O ATOM 5 CB THR A 1 -8.630 43.971 18.017 1.00 0.00 C ATOM 6 OG1 THR A 1 -8.066 45.050 17.275 1.00 0.00 O ATOM 7 CG2 THR A 1 -9.401 44.659 19.145 1.00 0.00 C ATOM 0 H1 THR A 1 -6.470 43.173 16.708 1.00 0.00 H new ATOM 0 H2 THR A 1 -6.047 41.888 17.734 1.00 0.00 H new ATOM 0 H3 THR A 1 -7.554 41.890 16.951 1.00 0.00 H new ATOM 0 HA THR A 1 -6.711 43.907 18.955 1.00 0.00 H new ATOM 0 HB THR A 1 -9.296 43.293 17.483 1.00 0.00 H new ATOM 0 HG1 THR A 1 -8.785 45.605 16.907 1.00 0.00 H new ATOM 0 HG21 THR A 1 -10.253 45.196 18.728 1.00 0.00 H new ATOM 0 HG22 THR A 1 -9.755 43.910 19.853 1.00 0.00 H new ATOM 0 HG23 THR A 1 -8.745 45.362 19.658 1.00 0.00 H new ATOM 15 N TYR A 2 -8.368 41.109 19.272 1.00 0.00 N ATOM 16 CA TYR A 2 -8.746 40.091 20.237 1.00 0.00 C ATOM 17 C TYR A 2 -7.689 38.987 20.313 1.00 0.00 C ATOM 18 O TYR A 2 -6.655 39.066 19.652 1.00 0.00 O ATOM 19 CB TYR A 2 -10.057 39.490 19.724 1.00 0.00 C ATOM 20 CG TYR A 2 -9.992 38.999 18.277 1.00 0.00 C ATOM 21 CD1 TYR A 2 -9.215 37.905 17.954 1.00 0.00 C ATOM 22 CD2 TYR A 2 -10.711 39.649 17.295 1.00 0.00 C ATOM 23 CE1 TYR A 2 -9.154 37.443 16.591 1.00 0.00 C ATOM 24 CE2 TYR A 2 -10.650 39.187 15.932 1.00 0.00 C ATOM 25 CZ TYR A 2 -9.874 38.107 15.648 1.00 0.00 C ATOM 26 OH TYR A 2 -9.817 37.670 14.361 1.00 0.00 O ATOM 0 H TYR A 2 -8.617 40.895 18.306 1.00 0.00 H new ATOM 0 HA TYR A 2 -8.845 40.524 21.232 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -10.339 38.657 20.367 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.845 40.238 19.808 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -8.653 37.396 18.723 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.320 40.504 17.548 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -8.550 36.588 16.324 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.208 39.687 15.154 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.382 38.239 13.797 1.00 0.00 H new ATOM 36 N SER A 3 -7.985 37.984 21.127 1.00 0.00 N ATOM 37 CA SER A 3 -7.072 36.866 21.298 1.00 0.00 C ATOM 38 C SER A 3 -7.763 35.561 20.899 1.00 0.00 C ATOM 39 O SER A 3 -8.809 35.581 20.251 1.00 0.00 O ATOM 40 CB SER A 3 -6.571 36.781 22.741 1.00 0.00 C ATOM 41 OG SER A 3 -6.335 38.070 23.301 1.00 0.00 O ATOM 0 H SER A 3 -8.843 37.922 21.675 1.00 0.00 H new ATOM 0 HA SER A 3 -6.210 37.026 20.651 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.304 36.250 23.349 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.650 36.198 22.771 1.00 0.00 H new ATOM 0 HG SER A 3 -6.018 37.973 24.223 1.00 0.00 H new ATOM 47 N LEU A 4 -7.151 34.457 21.301 1.00 0.00 N ATOM 48 CA LEU A 4 -7.694 33.145 20.993 1.00 0.00 C ATOM 49 C LEU A 4 -7.715 32.950 19.476 1.00 0.00 C ATOM 50 O LEU A 4 -8.406 33.676 18.763 1.00 0.00 O ATOM 51 CB LEU A 4 -9.061 32.962 21.656 1.00 0.00 C ATOM 52 CG LEU A 4 -9.970 31.898 21.036 1.00 0.00 C ATOM 53 CD1 LEU A 4 -10.819 31.212 22.107 1.00 0.00 C ATOM 54 CD2 LEU A 4 -10.828 32.494 19.919 1.00 0.00 C ATOM 0 H LEU A 4 -6.284 34.444 21.838 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.058 32.362 21.406 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.903 32.710 22.705 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.585 33.918 21.633 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.341 31.131 20.584 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.456 30.461 21.640 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.166 30.732 22.837 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.441 31.954 22.609 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.465 31.717 19.495 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.450 33.292 20.324 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.182 32.898 19.140 1.00 0.00 H new ATOM 66 N ARG A 5 -6.950 31.965 19.027 1.00 0.00 N ATOM 67 CA ARG A 5 -6.872 31.666 17.608 1.00 0.00 C ATOM 68 C ARG A 5 -6.165 30.327 17.386 1.00 0.00 C ATOM 69 O ARG A 5 -5.019 30.151 17.797 1.00 0.00 O ATOM 70 CB ARG A 5 -6.120 32.764 16.853 1.00 0.00 C ATOM 71 CG ARG A 5 -6.475 32.748 15.365 1.00 0.00 C ATOM 72 CD ARG A 5 -7.687 33.637 15.082 1.00 0.00 C ATOM 73 NE ARG A 5 -7.397 34.542 13.947 1.00 0.00 N ATOM 74 CZ ARG A 5 -6.512 35.546 13.993 1.00 0.00 C ATOM 75 NH1 ARG A 5 -5.823 35.780 15.119 1.00 0.00 N ATOM 76 NH2 ARG A 5 -6.314 36.316 12.914 1.00 0.00 N ATOM 0 H ARG A 5 -6.379 31.364 19.622 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.891 31.611 17.225 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.366 33.737 17.279 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.046 32.625 16.976 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.622 33.092 14.780 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.687 31.727 15.049 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.556 33.020 14.853 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.935 34.220 15.969 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.903 34.391 13.075 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.973 35.193 15.940 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.149 36.545 15.155 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.838 36.137 12.057 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.640 37.081 12.950 1.00 0.00 H new ATOM 90 N THR A 6 -6.878 29.418 16.737 1.00 0.00 N ATOM 91 CA THR A 6 -6.333 28.101 16.456 1.00 0.00 C ATOM 92 C THR A 6 -6.945 27.533 15.173 1.00 0.00 C ATOM 93 O THR A 6 -7.955 28.038 14.687 1.00 0.00 O ATOM 94 CB THR A 6 -6.569 27.219 17.684 1.00 0.00 C ATOM 95 OG1 THR A 6 -5.706 27.767 18.676 1.00 0.00 O ATOM 96 CG2 THR A 6 -6.053 25.792 17.488 1.00 0.00 C ATOM 0 H THR A 6 -7.828 29.568 16.398 1.00 0.00 H new ATOM 0 HA THR A 6 -5.259 28.148 16.274 1.00 0.00 H new ATOM 0 HB THR A 6 -7.635 27.191 17.911 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.138 28.455 18.271 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.245 25.209 18.388 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.565 25.333 16.642 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.981 25.816 17.294 1.00 0.00 H new ATOM 104 N PHE A 7 -6.306 26.491 14.662 1.00 0.00 N ATOM 105 CA PHE A 7 -6.774 25.850 13.445 1.00 0.00 C ATOM 106 C PHE A 7 -5.953 24.596 13.135 1.00 0.00 C ATOM 107 O PHE A 7 -4.756 24.549 13.415 1.00 0.00 O ATOM 108 CB PHE A 7 -6.592 26.858 12.309 1.00 0.00 C ATOM 109 CG PHE A 7 -7.884 27.563 11.890 1.00 0.00 C ATOM 110 CD1 PHE A 7 -8.980 26.831 11.555 1.00 0.00 C ATOM 111 CD2 PHE A 7 -7.936 28.921 11.852 1.00 0.00 C ATOM 112 CE1 PHE A 7 -10.179 27.485 11.166 1.00 0.00 C ATOM 113 CE2 PHE A 7 -9.135 29.575 11.462 1.00 0.00 C ATOM 114 CZ PHE A 7 -10.231 28.843 11.127 1.00 0.00 C ATOM 0 H PHE A 7 -5.468 26.075 15.068 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.816 25.551 13.560 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.864 27.609 12.616 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.174 26.343 11.444 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.939 25.752 11.585 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.066 29.502 12.118 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -11.050 26.904 10.901 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.176 30.654 11.432 1.00 0.00 H new ATOM 0 HZ PHE A 7 -11.143 29.340 10.830 1.00 0.00 H new ATOM 124 N PHE A 8 -6.630 23.612 12.562 1.00 0.00 N ATOM 125 CA PHE A 8 -5.978 22.361 12.211 1.00 0.00 C ATOM 126 C PHE A 8 -6.943 21.426 11.480 1.00 0.00 C ATOM 127 O PHE A 8 -8.113 21.324 11.849 1.00 0.00 O ATOM 128 CB PHE A 8 -5.541 21.702 13.520 1.00 0.00 C ATOM 129 CG PHE A 8 -4.410 20.684 13.357 1.00 0.00 C ATOM 130 CD1 PHE A 8 -3.133 21.111 13.165 1.00 0.00 C ATOM 131 CD2 PHE A 8 -4.682 19.352 13.404 1.00 0.00 C ATOM 132 CE1 PHE A 8 -2.084 20.166 13.014 1.00 0.00 C ATOM 133 CE2 PHE A 8 -3.633 18.407 13.253 1.00 0.00 C ATOM 134 CZ PHE A 8 -2.356 18.834 13.061 1.00 0.00 C ATOM 0 H PHE A 8 -7.623 23.655 12.332 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.132 22.555 11.551 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.221 22.477 14.216 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.401 21.206 13.970 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.917 22.168 13.127 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.696 19.013 13.556 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.070 20.505 12.862 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.849 17.350 13.291 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.558 18.116 12.946 1.00 0.00 H new ATOM 144 N VAL A 9 -6.418 20.767 10.458 1.00 0.00 N ATOM 145 CA VAL A 9 -7.219 19.844 9.672 1.00 0.00 C ATOM 146 C VAL A 9 -7.101 18.439 10.267 1.00 0.00 C ATOM 147 O VAL A 9 -7.687 18.151 11.309 1.00 0.00 O ATOM 148 CB VAL A 9 -6.800 19.908 8.202 1.00 0.00 C ATOM 149 CG1 VAL A 9 -7.498 21.064 7.483 1.00 0.00 C ATOM 150 CG2 VAL A 9 -5.280 20.018 8.069 1.00 0.00 C ATOM 0 H VAL A 9 -5.448 20.854 10.156 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.271 20.125 9.708 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.112 18.979 7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.183 21.087 6.440 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.578 20.924 7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.231 22.005 7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.009 20.062 7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.935 20.923 8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.811 19.148 8.528 1.00 0.00 H new ATOM 160 N ARG A 10 -6.338 17.602 9.578 1.00 0.00 N ATOM 161 CA ARG A 10 -6.135 16.235 10.026 1.00 0.00 C ATOM 162 C ARG A 10 -5.075 15.546 9.164 1.00 0.00 C ATOM 163 O ARG A 10 -4.053 15.092 9.675 1.00 0.00 O ATOM 164 CB ARG A 10 -7.437 15.434 9.957 1.00 0.00 C ATOM 165 CG ARG A 10 -7.680 14.670 11.260 1.00 0.00 C ATOM 166 CD ARG A 10 -8.316 13.305 10.986 1.00 0.00 C ATOM 167 NE ARG A 10 -7.519 12.237 11.630 1.00 0.00 N ATOM 168 CZ ARG A 10 -7.301 12.154 12.949 1.00 0.00 C ATOM 169 NH1 ARG A 10 -7.817 13.077 13.773 1.00 0.00 N ATOM 170 NH2 ARG A 10 -6.565 11.150 13.445 1.00 0.00 N ATOM 0 H ARG A 10 -5.854 17.844 8.714 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.798 16.272 11.062 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.273 16.107 9.765 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.393 14.733 9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.736 14.536 11.788 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.330 15.254 11.912 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.337 13.288 11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.373 13.130 9.912 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.110 11.519 11.032 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.376 13.842 13.396 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.651 13.014 14.777 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.171 10.449 12.818 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.399 11.087 14.449 1.00 0.00 H new ATOM 184 N GLU A 11 -5.355 15.490 7.870 1.00 0.00 N ATOM 185 CA GLU A 11 -4.438 14.865 6.932 1.00 0.00 C ATOM 186 C GLU A 11 -4.713 13.362 6.843 1.00 0.00 C ATOM 187 O GLU A 11 -5.071 12.733 7.838 1.00 0.00 O ATOM 188 CB GLU A 11 -2.984 15.134 7.325 1.00 0.00 C ATOM 189 CG GLU A 11 -2.081 15.172 6.090 1.00 0.00 C ATOM 190 CD GLU A 11 -0.731 15.812 6.418 1.00 0.00 C ATOM 191 OE1 GLU A 11 -0.656 17.057 6.330 1.00 0.00 O ATOM 192 OE2 GLU A 11 0.196 15.042 6.751 1.00 0.00 O ATOM 0 H GLU A 11 -6.204 15.867 7.449 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.601 15.304 5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.917 16.082 7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.639 14.359 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.927 14.160 5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.570 15.734 5.294 1.00 0.00 H new ATOM 199 N SER A 12 -4.536 12.831 5.642 1.00 0.00 N ATOM 200 CA SER A 12 -4.761 11.414 5.410 1.00 0.00 C ATOM 201 C SER A 12 -4.429 11.063 3.959 1.00 0.00 C ATOM 202 O SER A 12 -4.292 11.949 3.117 1.00 0.00 O ATOM 203 CB SER A 12 -6.205 11.025 5.734 1.00 0.00 C ATOM 204 OG SER A 12 -7.065 11.182 4.609 1.00 0.00 O ATOM 0 H SER A 12 -4.239 13.356 4.819 1.00 0.00 H new ATOM 0 HA SER A 12 -4.105 10.850 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.234 9.989 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.570 11.639 6.558 1.00 0.00 H new ATOM 0 HG SER A 12 -7.977 10.922 4.856 1.00 0.00 H new ATOM 210 N ALA A 13 -4.311 9.767 3.710 1.00 0.00 N ATOM 211 CA ALA A 13 -3.998 9.287 2.374 1.00 0.00 C ATOM 212 C ALA A 13 -5.061 9.787 1.395 1.00 0.00 C ATOM 213 O ALA A 13 -5.031 10.944 0.978 1.00 0.00 O ATOM 214 CB ALA A 13 -3.893 7.761 2.391 1.00 0.00 C ATOM 0 H ALA A 13 -4.426 9.034 4.410 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.035 9.676 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.658 7.401 1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.104 7.458 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.842 7.335 2.717 1.00 0.00 H new ATOM 220 N GLU A 14 -5.977 8.891 1.056 1.00 0.00 N ATOM 221 CA GLU A 14 -7.048 9.228 0.134 1.00 0.00 C ATOM 222 C GLU A 14 -6.560 10.247 -0.898 1.00 0.00 C ATOM 223 O GLU A 14 -7.028 11.384 -0.922 1.00 0.00 O ATOM 224 CB GLU A 14 -8.274 9.751 0.885 1.00 0.00 C ATOM 225 CG GLU A 14 -9.481 9.865 -0.049 1.00 0.00 C ATOM 226 CD GLU A 14 -10.315 11.105 0.283 1.00 0.00 C ATOM 227 OE1 GLU A 14 -9.997 12.171 -0.287 1.00 0.00 O ATOM 228 OE2 GLU A 14 -11.251 10.958 1.098 1.00 0.00 O ATOM 0 H GLU A 14 -5.999 7.932 1.403 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.346 8.322 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.511 9.082 1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.051 10.726 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.141 9.917 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.099 8.972 0.039 1.00 0.00 H new ATOM 235 N GLY A 15 -5.625 9.802 -1.725 1.00 0.00 N ATOM 236 CA GLY A 15 -5.068 10.662 -2.756 1.00 0.00 C ATOM 237 C GLY A 15 -3.575 10.901 -2.523 1.00 0.00 C ATOM 238 O GLY A 15 -2.953 11.697 -3.225 1.00 0.00 O ATOM 0 H GLY A 15 -5.239 8.858 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.219 10.207 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.596 11.616 -2.763 1.00 0.00 H new ATOM 242 N LEU A 16 -3.042 10.196 -1.535 1.00 0.00 N ATOM 243 CA LEU A 16 -1.634 10.322 -1.202 1.00 0.00 C ATOM 244 C LEU A 16 -0.800 10.216 -2.480 1.00 0.00 C ATOM 245 O LEU A 16 -1.338 9.966 -3.557 1.00 0.00 O ATOM 246 CB LEU A 16 -1.245 9.304 -0.127 1.00 0.00 C ATOM 247 CG LEU A 16 -0.601 8.010 -0.631 1.00 0.00 C ATOM 248 CD1 LEU A 16 0.433 7.488 0.368 1.00 0.00 C ATOM 249 CD2 LEU A 16 -1.664 6.960 -0.957 1.00 0.00 C ATOM 0 H LEU A 16 -3.560 9.536 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.431 11.302 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.555 9.784 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.139 9.045 0.440 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.071 8.230 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.876 6.568 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.214 8.236 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.053 7.288 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.180 6.051 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.242 6.736 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.329 7.344 -1.731 1.00 0.00 H new ATOM 261 N THR A 17 0.501 10.410 -2.318 1.00 0.00 N ATOM 262 CA THR A 17 1.415 10.339 -3.445 1.00 0.00 C ATOM 263 C THR A 17 1.882 8.899 -3.663 1.00 0.00 C ATOM 264 O THR A 17 1.856 8.088 -2.739 1.00 0.00 O ATOM 265 CB THR A 17 2.562 11.318 -3.186 1.00 0.00 C ATOM 266 OG1 THR A 17 2.881 11.123 -1.812 1.00 0.00 O ATOM 267 CG2 THR A 17 2.113 12.779 -3.261 1.00 0.00 C ATOM 0 H THR A 17 0.944 10.616 -1.423 1.00 0.00 H new ATOM 0 HA THR A 17 0.923 10.631 -4.373 1.00 0.00 H new ATOM 0 HB THR A 17 3.357 11.145 -3.911 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.833 11.305 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.965 13.432 -3.070 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.713 12.986 -4.253 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.341 12.961 -2.513 1.00 0.00 H new ATOM 275 N GLN A 18 2.299 8.626 -4.891 1.00 0.00 N ATOM 276 CA GLN A 18 2.772 7.297 -5.242 1.00 0.00 C ATOM 277 C GLN A 18 3.981 6.920 -4.383 1.00 0.00 C ATOM 278 O GLN A 18 4.157 5.755 -4.030 1.00 0.00 O ATOM 279 CB GLN A 18 3.110 7.211 -6.731 1.00 0.00 C ATOM 280 CG GLN A 18 4.254 8.161 -7.090 1.00 0.00 C ATOM 281 CD GLN A 18 5.598 7.430 -7.077 1.00 0.00 C ATOM 282 OE1 GLN A 18 5.708 6.288 -6.665 1.00 0.00 O ATOM 283 NE2 GLN A 18 6.610 8.151 -7.551 1.00 0.00 N ATOM 0 H GLN A 18 2.319 9.302 -5.655 1.00 0.00 H new ATOM 0 HA GLN A 18 1.972 6.584 -5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.388 6.188 -6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.228 7.458 -7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.079 8.590 -8.076 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.280 8.989 -6.382 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.448 9.103 -7.880 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.548 7.752 -7.585 1.00 0.00 H new ATOM 292 N GLY A 19 4.783 7.928 -4.072 1.00 0.00 N ATOM 293 CA GLY A 19 5.970 7.716 -3.261 1.00 0.00 C ATOM 294 C GLY A 19 5.598 7.472 -1.797 1.00 0.00 C ATOM 295 O GLY A 19 6.245 6.680 -1.113 1.00 0.00 O ATOM 0 H GLY A 19 4.634 8.893 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.529 6.863 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.624 8.585 -3.334 1.00 0.00 H new ATOM 299 N GLU A 20 4.558 8.166 -1.360 1.00 0.00 N ATOM 300 CA GLU A 20 4.092 8.034 0.010 1.00 0.00 C ATOM 301 C GLU A 20 3.551 6.624 0.253 1.00 0.00 C ATOM 302 O GLU A 20 3.635 6.107 1.366 1.00 0.00 O ATOM 303 CB GLU A 20 3.034 9.091 0.333 1.00 0.00 C ATOM 304 CG GLU A 20 3.683 10.384 0.830 1.00 0.00 C ATOM 305 CD GLU A 20 3.714 10.430 2.359 1.00 0.00 C ATOM 306 OE1 GLU A 20 2.647 10.729 2.938 1.00 0.00 O ATOM 307 OE2 GLU A 20 4.802 10.166 2.913 1.00 0.00 O ATOM 0 H GLU A 20 4.024 8.822 -1.931 1.00 0.00 H new ATOM 0 HA GLU A 20 4.937 8.197 0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.438 9.298 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.352 8.708 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.698 10.459 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.131 11.242 0.448 1.00 0.00 H new ATOM 314 N LEU A 21 3.009 6.041 -0.806 1.00 0.00 N ATOM 315 CA LEU A 21 2.455 4.701 -0.722 1.00 0.00 C ATOM 316 C LEU A 21 3.480 3.770 -0.071 1.00 0.00 C ATOM 317 O LEU A 21 3.123 2.923 0.747 1.00 0.00 O ATOM 318 CB LEU A 21 1.982 4.229 -2.098 1.00 0.00 C ATOM 319 CG LEU A 21 0.658 3.463 -2.126 1.00 0.00 C ATOM 320 CD1 LEU A 21 0.517 2.567 -0.894 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.526 4.420 -2.277 1.00 0.00 C ATOM 0 H LEU A 21 2.942 6.473 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 21 1.569 4.694 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.889 5.100 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.756 3.593 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 21 0.659 2.811 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.433 2.034 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.336 1.848 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.547 3.180 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.455 3.850 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.542 5.114 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.426 4.979 -3.208 1.00 0.00 H new ATOM 333 N MET A 22 4.733 3.959 -0.458 1.00 0.00 N ATOM 334 CA MET A 22 5.812 3.147 0.078 1.00 0.00 C ATOM 335 C MET A 22 5.801 3.161 1.608 1.00 0.00 C ATOM 336 O MET A 22 5.723 2.110 2.242 1.00 0.00 O ATOM 337 CB MET A 22 7.153 3.681 -0.429 1.00 0.00 C ATOM 338 CG MET A 22 8.316 2.849 0.117 1.00 0.00 C ATOM 339 SD MET A 22 9.701 2.926 -1.006 1.00 0.00 S ATOM 340 CE MET A 22 9.061 1.951 -2.356 1.00 0.00 C ATOM 0 H MET A 22 5.025 4.663 -1.136 1.00 0.00 H new ATOM 0 HA MET A 22 5.670 2.120 -0.258 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.168 3.662 -1.519 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.272 4.721 -0.127 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.611 3.221 1.098 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.002 1.814 0.250 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.836 1.822 -3.111 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.750 0.975 -1.984 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.205 2.460 -2.799 1.00 0.00 H new ATOM 350 N LYS A 23 5.881 4.364 2.157 1.00 0.00 N ATOM 351 CA LYS A 23 5.882 4.529 3.601 1.00 0.00 C ATOM 352 C LYS A 23 4.533 4.077 4.162 1.00 0.00 C ATOM 353 O LYS A 23 4.463 3.552 5.273 1.00 0.00 O ATOM 354 CB LYS A 23 6.254 5.965 3.975 1.00 0.00 C ATOM 355 CG LYS A 23 6.436 6.108 5.488 1.00 0.00 C ATOM 356 CD LYS A 23 6.456 7.580 5.902 1.00 0.00 C ATOM 357 CE LYS A 23 5.044 8.169 5.900 1.00 0.00 C ATOM 358 NZ LYS A 23 5.073 9.588 6.321 1.00 0.00 N ATOM 0 H LYS A 23 5.946 5.234 1.628 1.00 0.00 H new ATOM 0 HA LYS A 23 6.645 3.898 4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.175 6.250 3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.476 6.647 3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.627 5.592 6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.366 5.628 5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.893 7.676 6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.091 8.145 5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.611 8.088 4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.404 7.597 6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.107 9.972 6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.466 9.657 7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.667 10.133 5.664 1.00 0.00 H new ATOM 372 N LEU A 24 3.494 4.296 3.369 1.00 0.00 N ATOM 373 CA LEU A 24 2.151 3.917 3.774 1.00 0.00 C ATOM 374 C LEU A 24 2.058 2.392 3.851 1.00 0.00 C ATOM 375 O LEU A 24 1.414 1.851 4.749 1.00 0.00 O ATOM 376 CB LEU A 24 1.113 4.550 2.844 1.00 0.00 C ATOM 377 CG LEU A 24 -0.257 4.835 3.464 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.127 5.659 2.513 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.945 3.537 3.892 1.00 0.00 C ATOM 0 H LEU A 24 3.555 4.731 2.448 1.00 0.00 H new ATOM 0 HA LEU A 24 1.930 4.301 4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.519 5.487 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.972 3.891 1.987 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.109 5.432 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.095 5.848 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.635 6.608 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.272 5.109 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.916 3.767 4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.082 2.894 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.328 3.024 4.629 1.00 0.00 H new ATOM 391 N ILE A 25 2.709 1.742 2.898 1.00 0.00 N ATOM 392 CA ILE A 25 2.708 0.290 2.847 1.00 0.00 C ATOM 393 C ILE A 25 3.487 -0.259 4.044 1.00 0.00 C ATOM 394 O ILE A 25 3.048 -1.207 4.694 1.00 0.00 O ATOM 395 CB ILE A 25 3.231 -0.200 1.496 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.077 -0.522 0.545 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.177 -1.389 1.672 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.599 -0.905 -0.842 1.00 0.00 C ATOM 0 H ILE A 25 3.241 2.194 2.155 1.00 0.00 H new ATOM 0 HA ILE A 25 1.690 -0.093 2.926 1.00 0.00 H new ATOM 0 HB ILE A 25 3.808 0.605 1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.483 -1.340 0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.417 0.341 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.534 -1.717 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.026 -1.091 2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.646 -2.207 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.758 -1.129 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.172 -0.076 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.239 -1.783 -0.760 1.00 0.00 H new ATOM 410 N LYS A 26 4.630 0.360 4.299 1.00 0.00 N ATOM 411 CA LYS A 26 5.475 -0.054 5.406 1.00 0.00 C ATOM 412 C LYS A 26 4.728 0.167 6.723 1.00 0.00 C ATOM 413 O LYS A 26 5.012 -0.494 7.721 1.00 0.00 O ATOM 414 CB LYS A 26 6.830 0.655 5.341 1.00 0.00 C ATOM 415 CG LYS A 26 7.880 -0.094 6.164 1.00 0.00 C ATOM 416 CD LYS A 26 9.195 0.687 6.215 1.00 0.00 C ATOM 417 CE LYS A 26 10.394 -0.246 6.039 1.00 0.00 C ATOM 418 NZ LYS A 26 11.619 0.533 5.748 1.00 0.00 N ATOM 0 H LYS A 26 4.991 1.146 3.758 1.00 0.00 H new ATOM 0 HA LYS A 26 5.695 -1.119 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.158 0.726 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.730 1.674 5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.508 -0.254 7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.054 -1.078 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.202 1.446 5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.274 1.211 7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.538 -0.837 6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.201 -0.947 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.423 -0.116 5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.484 1.078 4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.811 1.185 6.535 1.00 0.00 H new ATOM 432 N GLU A 27 3.787 1.099 6.683 1.00 0.00 N ATOM 433 CA GLU A 27 2.997 1.416 7.861 1.00 0.00 C ATOM 434 C GLU A 27 2.150 0.210 8.271 1.00 0.00 C ATOM 435 O GLU A 27 1.983 -0.060 9.460 1.00 0.00 O ATOM 436 CB GLU A 27 2.119 2.645 7.618 1.00 0.00 C ATOM 437 CG GLU A 27 2.527 3.800 8.535 1.00 0.00 C ATOM 438 CD GLU A 27 1.620 5.014 8.325 1.00 0.00 C ATOM 439 OE1 GLU A 27 0.411 4.787 8.106 1.00 0.00 O ATOM 440 OE2 GLU A 27 2.157 6.141 8.388 1.00 0.00 O ATOM 0 H GLU A 27 3.554 1.645 5.853 1.00 0.00 H new ATOM 0 HA GLU A 27 3.678 1.653 8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.202 2.956 6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.074 2.390 7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.475 3.479 9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.563 4.077 8.338 1.00 0.00 H new ATOM 447 N ILE A 28 1.638 -0.483 7.265 1.00 0.00 N ATOM 448 CA ILE A 28 0.812 -1.654 7.507 1.00 0.00 C ATOM 449 C ILE A 28 1.672 -2.763 8.116 1.00 0.00 C ATOM 450 O ILE A 28 1.184 -3.569 8.907 1.00 0.00 O ATOM 451 CB ILE A 28 0.087 -2.073 6.226 1.00 0.00 C ATOM 452 CG1 ILE A 28 -1.235 -1.319 6.073 1.00 0.00 C ATOM 453 CG2 ILE A 28 -0.108 -3.589 6.177 1.00 0.00 C ATOM 454 CD1 ILE A 28 -1.095 -0.160 5.084 1.00 0.00 C ATOM 0 H ILE A 28 1.779 -0.256 6.281 1.00 0.00 H new ATOM 0 HA ILE A 28 0.029 -1.424 8.229 1.00 0.00 H new ATOM 0 HB ILE A 28 0.712 -1.802 5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.010 -2.004 5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.554 -0.937 7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.626 -3.860 5.257 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.864 -4.082 6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.701 -3.907 7.034 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.049 0.359 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.336 0.535 5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.799 -0.547 4.109 1.00 0.00 H new ATOM 466 N VAL A 29 2.938 -2.768 7.725 1.00 0.00 N ATOM 467 CA VAL A 29 3.871 -3.765 8.223 1.00 0.00 C ATOM 468 C VAL A 29 4.455 -3.289 9.555 1.00 0.00 C ATOM 469 O VAL A 29 5.492 -3.785 9.995 1.00 0.00 O ATOM 470 CB VAL A 29 4.942 -4.052 7.169 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.405 -5.509 7.241 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.438 -3.705 5.767 1.00 0.00 C ATOM 0 H VAL A 29 3.340 -2.098 7.069 1.00 0.00 H new ATOM 0 HA VAL A 29 3.358 -4.708 8.411 1.00 0.00 H new ATOM 0 HB VAL A 29 5.802 -3.417 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.166 -5.687 6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.823 -5.710 8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.556 -6.170 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.218 -3.918 5.037 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.555 -4.302 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.181 -2.647 5.724 1.00 0.00 H new ATOM 482 N GLU A 30 3.765 -2.334 10.160 1.00 0.00 N ATOM 483 CA GLU A 30 4.202 -1.786 11.433 1.00 0.00 C ATOM 484 C GLU A 30 4.026 -2.822 12.545 1.00 0.00 C ATOM 485 O GLU A 30 4.758 -2.807 13.534 1.00 0.00 O ATOM 486 CB GLU A 30 3.450 -0.495 11.762 1.00 0.00 C ATOM 487 CG GLU A 30 4.017 0.686 10.971 1.00 0.00 C ATOM 488 CD GLU A 30 5.023 1.476 11.810 1.00 0.00 C ATOM 489 OE1 GLU A 30 4.568 2.132 12.772 1.00 0.00 O ATOM 490 OE2 GLU A 30 6.224 1.407 11.471 1.00 0.00 O ATOM 0 H GLU A 30 2.906 -1.925 9.792 1.00 0.00 H new ATOM 0 HA GLU A 30 5.261 -1.540 11.356 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.392 -0.617 11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.522 -0.290 12.830 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.501 0.322 10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.205 1.342 10.658 1.00 0.00 H new ATOM 497 N ASN A 31 3.051 -3.696 12.347 1.00 0.00 N ATOM 498 CA ASN A 31 2.769 -4.737 13.321 1.00 0.00 C ATOM 499 C ASN A 31 2.151 -5.942 12.609 1.00 0.00 C ATOM 500 O ASN A 31 1.048 -6.369 12.947 1.00 0.00 O ATOM 501 CB ASN A 31 1.774 -4.250 14.376 1.00 0.00 C ATOM 502 CG ASN A 31 2.351 -3.079 15.174 1.00 0.00 C ATOM 503 OD1 ASN A 31 2.952 -3.246 16.223 1.00 0.00 O ATOM 504 ND2 ASN A 31 2.135 -1.889 14.622 1.00 0.00 N ATOM 0 H ASN A 31 2.446 -3.705 11.526 1.00 0.00 H new ATOM 0 HA ASN A 31 3.707 -5.006 13.807 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.847 -3.943 13.892 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.526 -5.068 15.052 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.480 -1.045 15.079 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.624 -1.820 13.742 1.00 0.00 H new ATOM 511 N GLU A 32 2.889 -6.457 11.636 1.00 0.00 N ATOM 512 CA GLU A 32 2.427 -7.604 10.874 1.00 0.00 C ATOM 513 C GLU A 32 2.247 -8.814 11.792 1.00 0.00 C ATOM 514 O GLU A 32 2.159 -8.666 13.010 1.00 0.00 O ATOM 515 CB GLU A 32 3.389 -7.924 9.728 1.00 0.00 C ATOM 516 CG GLU A 32 4.657 -8.604 10.250 1.00 0.00 C ATOM 517 CD GLU A 32 4.844 -9.981 9.610 1.00 0.00 C ATOM 518 OE1 GLU A 32 5.194 -10.006 8.410 1.00 0.00 O ATOM 519 OE2 GLU A 32 4.633 -10.977 10.334 1.00 0.00 O ATOM 0 H GLU A 32 3.803 -6.101 11.358 1.00 0.00 H new ATOM 0 HA GLU A 32 1.460 -7.358 10.436 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.895 -8.573 9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.654 -7.006 9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.524 -7.979 10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.599 -8.708 11.334 1.00 0.00 H new ATOM 526 N ASP A 33 2.196 -9.985 11.174 1.00 0.00 N ATOM 527 CA ASP A 33 2.028 -11.220 11.920 1.00 0.00 C ATOM 528 C ASP A 33 2.546 -12.391 11.084 1.00 0.00 C ATOM 529 O ASP A 33 2.572 -12.319 9.856 1.00 0.00 O ATOM 530 CB ASP A 33 0.553 -11.478 12.233 1.00 0.00 C ATOM 531 CG ASP A 33 0.280 -12.074 13.616 1.00 0.00 C ATOM 532 OD1 ASP A 33 1.248 -12.149 14.403 1.00 0.00 O ATOM 533 OD2 ASP A 33 -0.891 -12.442 13.854 1.00 0.00 O ATOM 0 H ASP A 33 2.268 -10.104 10.164 1.00 0.00 H new ATOM 0 HA ASP A 33 2.584 -11.128 12.853 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.009 -10.538 12.145 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.149 -12.152 11.477 1.00 0.00 H new ATOM 538 N LYS A 34 2.945 -13.445 11.781 1.00 0.00 N ATOM 539 CA LYS A 34 3.460 -14.630 11.118 1.00 0.00 C ATOM 540 C LYS A 34 2.293 -15.436 10.543 1.00 0.00 C ATOM 541 O LYS A 34 2.415 -16.039 9.478 1.00 0.00 O ATOM 542 CB LYS A 34 4.351 -15.432 12.069 1.00 0.00 C ATOM 543 CG LYS A 34 5.793 -15.482 11.559 1.00 0.00 C ATOM 544 CD LYS A 34 6.774 -15.715 12.709 1.00 0.00 C ATOM 545 CE LYS A 34 6.892 -17.205 13.035 1.00 0.00 C ATOM 546 NZ LYS A 34 5.840 -17.611 13.993 1.00 0.00 N ATOM 0 H LYS A 34 2.922 -13.502 12.799 1.00 0.00 H new ATOM 0 HA LYS A 34 4.098 -14.350 10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.328 -14.981 13.061 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.962 -16.445 12.170 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.895 -16.279 10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.036 -14.548 11.053 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.754 -15.319 12.442 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.440 -15.171 13.593 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.805 -17.791 12.120 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.876 -17.414 13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.182 -18.408 14.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.609 -16.810 14.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.988 -17.901 13.471 1.00 0.00 H new ATOM 560 N ARG A 35 1.188 -15.419 11.274 1.00 0.00 N ATOM 561 CA ARG A 35 0.000 -16.141 10.850 1.00 0.00 C ATOM 562 C ARG A 35 -0.793 -15.310 9.838 1.00 0.00 C ATOM 563 O ARG A 35 -1.746 -15.803 9.236 1.00 0.00 O ATOM 564 CB ARG A 35 -0.899 -16.471 12.043 1.00 0.00 C ATOM 565 CG ARG A 35 -1.611 -15.218 12.557 1.00 0.00 C ATOM 566 CD ARG A 35 -2.461 -15.537 13.789 1.00 0.00 C ATOM 567 NE ARG A 35 -3.797 -16.019 13.370 1.00 0.00 N ATOM 568 CZ ARG A 35 -4.080 -17.298 13.092 1.00 0.00 C ATOM 569 NH1 ARG A 35 -3.124 -18.232 13.185 1.00 0.00 N ATOM 570 NH2 ARG A 35 -5.320 -17.644 12.720 1.00 0.00 N ATOM 0 H ARG A 35 1.090 -14.917 12.157 1.00 0.00 H new ATOM 0 HA ARG A 35 0.326 -17.072 10.386 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.637 -17.219 11.751 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.302 -16.908 12.843 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.875 -14.454 12.806 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.244 -14.807 11.771 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.966 -16.294 14.397 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.564 -14.647 14.410 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.548 -15.334 13.288 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.180 -17.969 13.468 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.340 -19.206 12.973 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.048 -16.933 12.649 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.536 -18.618 12.508 1.00 0.00 H new ATOM 584 N LYS A 36 -0.369 -14.065 9.682 1.00 0.00 N ATOM 585 CA LYS A 36 -1.027 -13.161 8.753 1.00 0.00 C ATOM 586 C LYS A 36 -0.147 -11.928 8.538 1.00 0.00 C ATOM 587 O LYS A 36 -0.485 -10.834 8.987 1.00 0.00 O ATOM 588 CB LYS A 36 -2.441 -12.831 9.238 1.00 0.00 C ATOM 589 CG LYS A 36 -3.156 -11.906 8.251 1.00 0.00 C ATOM 590 CD LYS A 36 -4.294 -11.148 8.938 1.00 0.00 C ATOM 591 CE LYS A 36 -3.747 -10.116 9.927 1.00 0.00 C ATOM 592 NZ LYS A 36 -4.457 -8.826 9.776 1.00 0.00 N ATOM 0 H LYS A 36 0.422 -13.660 10.183 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.151 -13.638 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.012 -13.751 9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.392 -12.356 10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.444 -11.197 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.552 -12.490 7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.908 -10.649 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.940 -11.852 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.862 -10.484 10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.680 -9.972 9.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.074 -8.137 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.326 -8.469 8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.471 -8.964 9.959 1.00 0.00 H new ATOM 606 N PRO A 37 0.994 -12.153 7.833 1.00 0.00 N ATOM 607 CA PRO A 37 1.925 -11.073 7.552 1.00 0.00 C ATOM 608 C PRO A 37 1.385 -10.155 6.454 1.00 0.00 C ATOM 609 O PRO A 37 0.599 -10.585 5.611 1.00 0.00 O ATOM 610 CB PRO A 37 3.223 -11.763 7.166 1.00 0.00 C ATOM 611 CG PRO A 37 2.843 -13.187 6.794 1.00 0.00 C ATOM 612 CD PRO A 37 1.426 -13.435 7.286 1.00 0.00 C ATOM 0 HA PRO A 37 2.079 -10.416 8.408 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.701 -11.255 6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.933 -11.751 7.993 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.903 -13.328 5.715 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.534 -13.897 7.247 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.776 -13.758 6.473 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.401 -14.218 8.044 1.00 0.00 H new ATOM 620 N TYR A 38 1.828 -8.907 6.498 1.00 0.00 N ATOM 621 CA TYR A 38 1.399 -7.925 5.517 1.00 0.00 C ATOM 622 C TYR A 38 2.279 -7.979 4.267 1.00 0.00 C ATOM 623 O TYR A 38 2.971 -7.014 3.948 1.00 0.00 O ATOM 624 CB TYR A 38 1.568 -6.560 6.186 1.00 0.00 C ATOM 625 CG TYR A 38 0.544 -6.275 7.286 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.803 -6.247 6.985 1.00 0.00 C ATOM 627 CD2 TYR A 38 0.966 -6.046 8.580 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.767 -5.979 8.021 1.00 0.00 C ATOM 629 CE2 TYR A 38 0.002 -5.778 9.616 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.317 -5.758 9.285 1.00 0.00 C ATOM 631 OH TYR A 38 -2.227 -5.505 10.263 1.00 0.00 O ATOM 0 H TYR A 38 2.480 -8.553 7.198 1.00 0.00 H new ATOM 0 HA TYR A 38 0.371 -8.115 5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.570 -6.497 6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.495 -5.783 5.425 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.134 -6.426 5.973 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.020 -6.068 8.816 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.824 -5.954 7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.319 -5.597 10.632 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.762 -5.368 11.115 1.00 0.00 H new ATOM 641 N SER A 39 2.224 -9.118 3.592 1.00 0.00 N ATOM 642 CA SER A 39 3.008 -9.311 2.384 1.00 0.00 C ATOM 643 C SER A 39 2.384 -8.529 1.226 1.00 0.00 C ATOM 644 O SER A 39 1.261 -8.040 1.336 1.00 0.00 O ATOM 645 CB SER A 39 3.113 -10.795 2.026 1.00 0.00 C ATOM 646 OG SER A 39 3.230 -11.616 3.185 1.00 0.00 O ATOM 0 H SER A 39 1.648 -9.917 3.859 1.00 0.00 H new ATOM 0 HA SER A 39 4.015 -8.937 2.567 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.233 -11.094 1.457 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.978 -10.952 1.381 1.00 0.00 H new ATOM 0 HG SER A 39 3.293 -12.556 2.915 1.00 0.00 H new ATOM 652 N ASP A 40 3.141 -8.436 0.142 1.00 0.00 N ATOM 653 CA ASP A 40 2.676 -7.722 -1.036 1.00 0.00 C ATOM 654 C ASP A 40 1.237 -8.140 -1.346 1.00 0.00 C ATOM 655 O ASP A 40 0.470 -7.364 -1.913 1.00 0.00 O ATOM 656 CB ASP A 40 3.538 -8.053 -2.256 1.00 0.00 C ATOM 657 CG ASP A 40 4.264 -9.398 -2.190 1.00 0.00 C ATOM 658 OD1 ASP A 40 3.645 -10.398 -2.613 1.00 0.00 O ATOM 659 OD2 ASP A 40 5.421 -9.396 -1.717 1.00 0.00 O ATOM 0 H ASP A 40 4.072 -8.843 0.055 1.00 0.00 H new ATOM 0 HA ASP A 40 2.738 -6.654 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.905 -8.042 -3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.279 -7.263 -2.384 1.00 0.00 H new ATOM 664 N GLN A 41 0.915 -9.366 -0.959 1.00 0.00 N ATOM 665 CA GLN A 41 -0.418 -9.896 -1.189 1.00 0.00 C ATOM 666 C GLN A 41 -1.447 -9.123 -0.361 1.00 0.00 C ATOM 667 O GLN A 41 -2.385 -8.546 -0.910 1.00 0.00 O ATOM 668 CB GLN A 41 -0.475 -11.392 -0.875 1.00 0.00 C ATOM 669 CG GLN A 41 -1.857 -11.791 -0.354 1.00 0.00 C ATOM 670 CD GLN A 41 -2.925 -11.606 -1.434 1.00 0.00 C ATOM 671 OE1 GLN A 41 -2.635 -11.417 -2.604 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.172 -11.670 -0.978 1.00 0.00 N ATOM 0 H GLN A 41 1.554 -10.007 -0.488 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.660 -9.770 -2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.242 -11.965 -1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.283 -11.640 -0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.840 -12.831 -0.028 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.109 -11.188 0.518 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.345 -11.831 0.014 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.956 -11.558 -1.620 1.00 0.00 H new ATOM 681 N GLU A 42 -1.237 -9.135 0.947 1.00 0.00 N ATOM 682 CA GLU A 42 -2.134 -8.443 1.856 1.00 0.00 C ATOM 683 C GLU A 42 -2.213 -6.958 1.495 1.00 0.00 C ATOM 684 O GLU A 42 -3.226 -6.495 0.973 1.00 0.00 O ATOM 685 CB GLU A 42 -1.695 -8.631 3.309 1.00 0.00 C ATOM 686 CG GLU A 42 -2.893 -8.553 4.258 1.00 0.00 C ATOM 687 CD GLU A 42 -2.618 -9.322 5.552 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.513 -9.129 6.103 1.00 0.00 O ATOM 689 OE2 GLU A 42 -3.519 -10.086 5.960 1.00 0.00 O ATOM 0 H GLU A 42 -0.458 -9.614 1.399 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.129 -8.876 1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.200 -9.596 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.966 -7.866 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.111 -7.510 4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.777 -8.962 3.768 1.00 0.00 H new ATOM 696 N ILE A 43 -1.130 -6.252 1.788 1.00 0.00 N ATOM 697 CA ILE A 43 -1.064 -4.829 1.501 1.00 0.00 C ATOM 698 C ILE A 43 -1.845 -4.535 0.218 1.00 0.00 C ATOM 699 O ILE A 43 -2.543 -3.527 0.130 1.00 0.00 O ATOM 700 CB ILE A 43 0.391 -4.359 1.456 1.00 0.00 C ATOM 701 CG1 ILE A 43 0.755 -3.582 2.723 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.667 -3.549 0.188 1.00 0.00 C ATOM 703 CD1 ILE A 43 1.807 -4.331 3.543 1.00 0.00 C ATOM 0 H ILE A 43 -0.292 -6.639 2.221 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.535 -4.257 2.300 1.00 0.00 H new ATOM 0 HB ILE A 43 1.033 -5.239 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.134 -2.596 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.139 -3.426 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.708 -3.227 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.473 -4.167 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.017 -2.674 0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.047 -3.757 4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.416 -5.307 3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.708 -4.464 2.944 1.00 0.00 H new ATOM 715 N ALA A 44 -1.700 -5.435 -0.744 1.00 0.00 N ATOM 716 CA ALA A 44 -2.383 -5.284 -2.018 1.00 0.00 C ATOM 717 C ALA A 44 -3.892 -5.206 -1.777 1.00 0.00 C ATOM 718 O ALA A 44 -4.536 -4.233 -2.164 1.00 0.00 O ATOM 719 CB ALA A 44 -2.000 -6.441 -2.943 1.00 0.00 C ATOM 0 H ALA A 44 -1.120 -6.271 -0.667 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.079 -4.359 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.512 -6.328 -3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.922 -6.435 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.292 -7.386 -2.484 1.00 0.00 H new ATOM 725 N ASN A 45 -4.411 -6.244 -1.137 1.00 0.00 N ATOM 726 CA ASN A 45 -5.832 -6.306 -0.840 1.00 0.00 C ATOM 727 C ASN A 45 -6.167 -5.276 0.241 1.00 0.00 C ATOM 728 O ASN A 45 -7.338 -5.032 0.530 1.00 0.00 O ATOM 729 CB ASN A 45 -6.226 -7.688 -0.315 1.00 0.00 C ATOM 730 CG ASN A 45 -5.099 -8.299 0.520 1.00 0.00 C ATOM 731 OD1 ASN A 45 -4.828 -7.891 1.638 1.00 0.00 O ATOM 732 ND2 ASN A 45 -4.459 -9.297 -0.082 1.00 0.00 N ATOM 0 H ASN A 45 -3.873 -7.049 -0.816 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.378 -6.102 -1.761 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.129 -7.607 0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.461 -8.346 -1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.691 -9.770 0.393 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.736 -9.589 -1.019 1.00 0.00 H new ATOM 739 N ILE A 46 -5.118 -4.700 0.810 1.00 0.00 N ATOM 740 CA ILE A 46 -5.286 -3.703 1.854 1.00 0.00 C ATOM 741 C ILE A 46 -5.580 -2.345 1.212 1.00 0.00 C ATOM 742 O ILE A 46 -6.497 -1.642 1.632 1.00 0.00 O ATOM 743 CB ILE A 46 -4.074 -3.694 2.786 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.224 -4.741 3.892 1.00 0.00 C ATOM 745 CG2 ILE A 46 -3.828 -2.294 3.353 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.278 -4.447 5.058 1.00 0.00 C ATOM 0 H ILE A 46 -4.149 -4.905 0.568 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.140 -3.950 2.484 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.194 -3.965 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.254 -4.753 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.014 -5.732 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.960 -2.316 4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.645 -1.597 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.704 -1.970 3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.405 -5.206 5.830 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.248 -4.460 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.506 -3.465 5.473 1.00 0.00 H new ATOM 758 N LEU A 47 -4.783 -2.018 0.206 1.00 0.00 N ATOM 759 CA LEU A 47 -4.946 -0.757 -0.497 1.00 0.00 C ATOM 760 C LEU A 47 -6.369 -0.666 -1.051 1.00 0.00 C ATOM 761 O LEU A 47 -6.939 0.421 -1.132 1.00 0.00 O ATOM 762 CB LEU A 47 -3.860 -0.593 -1.563 1.00 0.00 C ATOM 763 CG LEU A 47 -2.479 -0.173 -1.055 1.00 0.00 C ATOM 764 CD1 LEU A 47 -2.418 -0.226 0.473 1.00 0.00 C ATOM 765 CD2 LEU A 47 -1.377 -1.013 -1.703 1.00 0.00 C ATOM 0 H LEU A 47 -4.023 -2.604 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.817 0.080 0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.757 -1.538 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.199 0.147 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.307 0.863 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.426 0.077 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.164 0.450 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.620 -1.243 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.406 -0.694 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.532 -2.065 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.406 -0.880 -2.784 1.00 0.00 H new ATOM 777 N LYS A 48 -6.902 -1.822 -1.417 1.00 0.00 N ATOM 778 CA LYS A 48 -8.248 -1.887 -1.961 1.00 0.00 C ATOM 779 C LYS A 48 -9.225 -1.252 -0.970 1.00 0.00 C ATOM 780 O LYS A 48 -10.167 -0.571 -1.371 1.00 0.00 O ATOM 781 CB LYS A 48 -8.604 -3.327 -2.339 1.00 0.00 C ATOM 782 CG LYS A 48 -10.033 -3.414 -2.879 1.00 0.00 C ATOM 783 CD LYS A 48 -10.039 -3.841 -4.348 1.00 0.00 C ATOM 784 CE LYS A 48 -10.200 -2.632 -5.270 1.00 0.00 C ATOM 785 NZ LYS A 48 -8.881 -2.177 -5.764 1.00 0.00 N ATOM 0 H LYS A 48 -6.426 -2.722 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.314 -1.314 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.904 -3.693 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.501 -3.972 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.606 -4.127 -2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.524 -2.446 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.110 -4.361 -4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.852 -4.546 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.840 -2.893 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.693 -1.821 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.009 -1.355 -6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.282 -1.909 -4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.424 -2.947 -6.294 1.00 0.00 H new ATOM 799 N GLU A 49 -8.966 -1.497 0.306 1.00 0.00 N ATOM 800 CA GLU A 49 -9.811 -0.958 1.358 1.00 0.00 C ATOM 801 C GLU A 49 -9.737 0.571 1.367 1.00 0.00 C ATOM 802 O GLU A 49 -10.716 1.241 1.691 1.00 0.00 O ATOM 803 CB GLU A 49 -9.424 -1.533 2.722 1.00 0.00 C ATOM 804 CG GLU A 49 -10.373 -2.662 3.131 1.00 0.00 C ATOM 805 CD GLU A 49 -11.223 -2.254 4.335 1.00 0.00 C ATOM 806 OE1 GLU A 49 -10.667 -1.558 5.213 1.00 0.00 O ATOM 807 OE2 GLU A 49 -12.410 -2.646 4.351 1.00 0.00 O ATOM 0 H GLU A 49 -8.183 -2.062 0.635 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.841 -1.252 1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.401 -1.908 2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.447 -0.744 3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.022 -2.918 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.798 -3.556 3.373 1.00 0.00 H new ATOM 814 N LYS A 50 -8.567 1.076 1.007 1.00 0.00 N ATOM 815 CA LYS A 50 -8.352 2.513 0.969 1.00 0.00 C ATOM 816 C LYS A 50 -8.864 3.066 -0.363 1.00 0.00 C ATOM 817 O LYS A 50 -9.685 3.981 -0.384 1.00 0.00 O ATOM 818 CB LYS A 50 -6.885 2.843 1.248 1.00 0.00 C ATOM 819 CG LYS A 50 -6.700 3.355 2.678 1.00 0.00 C ATOM 820 CD LYS A 50 -7.438 4.680 2.885 1.00 0.00 C ATOM 821 CE LYS A 50 -8.145 4.707 4.242 1.00 0.00 C ATOM 822 NZ LYS A 50 -7.409 5.569 5.193 1.00 0.00 N ATOM 0 H LYS A 50 -7.758 0.516 0.739 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.921 3.004 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.273 1.954 1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.537 3.596 0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.072 2.613 3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.638 3.489 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.731 5.508 2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.168 4.823 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.163 5.076 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.218 3.695 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.902 5.576 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.445 5.200 5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.361 6.538 4.818 1.00 0.00 H new ATOM 836 N GLY A 51 -8.358 2.486 -1.441 1.00 0.00 N ATOM 837 CA GLY A 51 -8.753 2.910 -2.774 1.00 0.00 C ATOM 838 C GLY A 51 -7.532 3.285 -3.615 1.00 0.00 C ATOM 839 O GLY A 51 -7.667 3.666 -4.777 1.00 0.00 O ATOM 0 H GLY A 51 -7.678 1.726 -1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.305 2.109 -3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.426 3.764 -2.703 1.00 0.00 H new ATOM 843 N PHE A 52 -6.367 3.163 -2.996 1.00 0.00 N ATOM 844 CA PHE A 52 -5.122 3.485 -3.674 1.00 0.00 C ATOM 845 C PHE A 52 -4.942 2.625 -4.927 1.00 0.00 C ATOM 846 O PHE A 52 -5.230 1.430 -4.911 1.00 0.00 O ATOM 847 CB PHE A 52 -3.988 3.179 -2.694 1.00 0.00 C ATOM 848 CG PHE A 52 -4.161 3.830 -1.320 1.00 0.00 C ATOM 849 CD1 PHE A 52 -4.663 5.090 -1.222 1.00 0.00 C ATOM 850 CD2 PHE A 52 -3.812 3.148 -0.196 1.00 0.00 C ATOM 851 CE1 PHE A 52 -4.823 5.694 0.053 1.00 0.00 C ATOM 852 CE2 PHE A 52 -3.972 3.752 1.079 1.00 0.00 C ATOM 853 CZ PHE A 52 -4.475 5.012 1.177 1.00 0.00 C ATOM 0 H PHE A 52 -6.259 2.846 -2.033 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.125 4.531 -3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.913 2.099 -2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.046 3.515 -3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.940 5.632 -2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.413 2.147 -0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.221 6.695 0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.694 3.211 1.971 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.598 5.471 2.147 1.00 0.00 H new ATOM 863 N LYS A 53 -4.467 3.269 -5.984 1.00 0.00 N ATOM 864 CA LYS A 53 -4.246 2.578 -7.243 1.00 0.00 C ATOM 865 C LYS A 53 -2.992 1.709 -7.129 1.00 0.00 C ATOM 866 O LYS A 53 -1.905 2.127 -7.523 1.00 0.00 O ATOM 867 CB LYS A 53 -4.198 3.578 -8.400 1.00 0.00 C ATOM 868 CG LYS A 53 -5.005 3.069 -9.597 1.00 0.00 C ATOM 869 CD LYS A 53 -6.337 3.812 -9.715 1.00 0.00 C ATOM 870 CE LYS A 53 -6.704 4.051 -11.181 1.00 0.00 C ATOM 871 NZ LYS A 53 -7.931 4.871 -11.282 1.00 0.00 N ATOM 0 H LYS A 53 -4.229 4.261 -5.994 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.078 1.910 -7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.594 4.539 -8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.163 3.745 -8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.428 3.202 -10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.189 2.000 -9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.124 3.235 -9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.273 4.766 -9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.881 4.553 -11.691 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.856 3.096 -11.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.165 5.023 -12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.718 4.378 -10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.774 5.789 -10.820 1.00 0.00 H new ATOM 885 N VAL A 54 -3.186 0.515 -6.588 1.00 0.00 N ATOM 886 CA VAL A 54 -2.085 -0.417 -6.418 1.00 0.00 C ATOM 887 C VAL A 54 -2.454 -1.758 -7.054 1.00 0.00 C ATOM 888 O VAL A 54 -3.362 -1.828 -7.880 1.00 0.00 O ATOM 889 CB VAL A 54 -1.726 -0.538 -4.935 1.00 0.00 C ATOM 890 CG1 VAL A 54 -0.221 -0.740 -4.750 1.00 0.00 C ATOM 891 CG2 VAL A 54 -2.215 0.682 -4.152 1.00 0.00 C ATOM 0 H VAL A 54 -4.089 0.172 -6.262 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.193 -0.051 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.233 -1.417 -4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.007 -0.823 -3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.089 -1.652 -5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.315 0.111 -5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.947 0.571 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.748 1.582 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.298 0.763 -4.244 1.00 0.00 H new ATOM 901 N ALA A 55 -1.730 -2.790 -6.645 1.00 0.00 N ATOM 902 CA ALA A 55 -1.971 -4.126 -7.165 1.00 0.00 C ATOM 903 C ALA A 55 -0.732 -4.992 -6.926 1.00 0.00 C ATOM 904 O ALA A 55 0.389 -4.487 -6.910 1.00 0.00 O ATOM 905 CB ALA A 55 -2.343 -4.037 -8.647 1.00 0.00 C ATOM 0 H ALA A 55 -0.977 -2.728 -5.960 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.807 -4.595 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.524 -5.038 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.245 -3.435 -8.760 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.526 -3.574 -9.200 1.00 0.00 H new ATOM 911 N ARG A 56 -0.977 -6.282 -6.747 1.00 0.00 N ATOM 912 CA ARG A 56 0.104 -7.223 -6.509 1.00 0.00 C ATOM 913 C ARG A 56 1.363 -6.785 -7.261 1.00 0.00 C ATOM 914 O ARG A 56 2.463 -6.822 -6.710 1.00 0.00 O ATOM 915 CB ARG A 56 -0.285 -8.633 -6.957 1.00 0.00 C ATOM 916 CG ARG A 56 -0.918 -8.611 -8.350 1.00 0.00 C ATOM 917 CD ARG A 56 0.053 -9.149 -9.402 1.00 0.00 C ATOM 918 NE ARG A 56 0.068 -10.628 -9.368 1.00 0.00 N ATOM 919 CZ ARG A 56 0.585 -11.397 -10.336 1.00 0.00 C ATOM 920 NH1 ARG A 56 1.132 -10.831 -11.421 1.00 0.00 N ATOM 921 NH2 ARG A 56 0.555 -12.732 -10.220 1.00 0.00 N ATOM 0 H ARG A 56 -1.908 -6.697 -6.762 1.00 0.00 H new ATOM 0 HA ARG A 56 0.303 -7.237 -5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.598 -9.272 -6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.985 -9.065 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.828 -9.211 -8.349 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.208 -7.592 -8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.243 -8.803 -10.392 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.055 -8.763 -9.215 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.341 -11.092 -8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.155 -9.815 -11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.526 -11.416 -12.158 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.138 -13.163 -9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.949 -13.317 -10.957 1.00 0.00 H new ATOM 935 N ARG A 57 1.160 -6.382 -8.506 1.00 0.00 N ATOM 936 CA ARG A 57 2.265 -5.938 -9.339 1.00 0.00 C ATOM 937 C ARG A 57 2.957 -4.731 -8.703 1.00 0.00 C ATOM 938 O ARG A 57 4.159 -4.765 -8.444 1.00 0.00 O ATOM 939 CB ARG A 57 1.782 -5.561 -10.740 1.00 0.00 C ATOM 940 CG ARG A 57 2.963 -5.253 -11.663 1.00 0.00 C ATOM 941 CD ARG A 57 3.695 -6.536 -12.062 1.00 0.00 C ATOM 942 NE ARG A 57 2.866 -7.319 -13.006 1.00 0.00 N ATOM 943 CZ ARG A 57 3.004 -8.636 -13.212 1.00 0.00 C ATOM 944 NH1 ARG A 57 3.938 -9.325 -12.542 1.00 0.00 N ATOM 945 NH2 ARG A 57 2.207 -9.264 -14.088 1.00 0.00 N ATOM 0 H ARG A 57 0.246 -6.353 -8.959 1.00 0.00 H new ATOM 0 HA ARG A 57 2.971 -6.764 -9.421 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.193 -6.378 -11.157 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.126 -4.693 -10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.607 -4.740 -12.556 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.655 -4.576 -11.161 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.652 -6.290 -12.523 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.912 -7.132 -11.175 1.00 0.00 H new ATOM 0 HE ARG A 57 2.145 -6.825 -13.532 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.544 -8.847 -11.875 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.043 -10.327 -12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.496 -8.739 -14.597 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.312 -10.266 -14.245 1.00 0.00 H new ATOM 959 N THR A 58 2.168 -3.692 -8.470 1.00 0.00 N ATOM 960 CA THR A 58 2.690 -2.476 -7.869 1.00 0.00 C ATOM 961 C THR A 58 3.271 -2.772 -6.485 1.00 0.00 C ATOM 962 O THR A 58 4.359 -2.305 -6.152 1.00 0.00 O ATOM 963 CB THR A 58 1.565 -1.439 -7.848 1.00 0.00 C ATOM 964 OG1 THR A 58 1.634 -0.825 -9.131 1.00 0.00 O ATOM 965 CG2 THR A 58 1.843 -0.294 -6.871 1.00 0.00 C ATOM 0 H THR A 58 1.172 -3.667 -8.686 1.00 0.00 H new ATOM 0 HA THR A 58 3.516 -2.069 -8.452 1.00 0.00 H new ATOM 0 HB THR A 58 0.628 -1.926 -7.580 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.937 -0.140 -9.204 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.014 0.414 -6.895 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.950 -0.694 -5.863 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.763 0.215 -7.159 1.00 0.00 H new ATOM 973 N VAL A 59 2.519 -3.545 -5.716 1.00 0.00 N ATOM 974 CA VAL A 59 2.946 -3.908 -4.375 1.00 0.00 C ATOM 975 C VAL A 59 4.287 -4.640 -4.453 1.00 0.00 C ATOM 976 O VAL A 59 5.184 -4.385 -3.651 1.00 0.00 O ATOM 977 CB VAL A 59 1.856 -4.730 -3.684 1.00 0.00 C ATOM 978 CG1 VAL A 59 2.057 -4.741 -2.167 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.463 -4.210 -4.048 1.00 0.00 C ATOM 0 H VAL A 59 1.617 -3.930 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 59 3.097 -3.016 -3.767 1.00 0.00 H new ATOM 0 HB VAL A 59 1.934 -5.757 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.269 -5.332 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.027 -5.179 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.018 -3.720 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.293 -4.812 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.369 -3.171 -3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.320 -4.277 -5.127 1.00 0.00 H new ATOM 989 N ALA A 60 4.381 -5.536 -5.425 1.00 0.00 N ATOM 990 CA ALA A 60 5.598 -6.306 -5.617 1.00 0.00 C ATOM 991 C ALA A 60 6.793 -5.354 -5.690 1.00 0.00 C ATOM 992 O ALA A 60 7.845 -5.627 -5.113 1.00 0.00 O ATOM 993 CB ALA A 60 5.463 -7.169 -6.873 1.00 0.00 C ATOM 0 H ALA A 60 3.634 -5.746 -6.088 1.00 0.00 H new ATOM 0 HA ALA A 60 5.763 -6.978 -4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.376 -7.747 -7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.618 -7.848 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.299 -6.528 -7.739 1.00 0.00 H new ATOM 999 N LYS A 61 6.592 -4.256 -6.403 1.00 0.00 N ATOM 1000 CA LYS A 61 7.640 -3.262 -6.559 1.00 0.00 C ATOM 1001 C LYS A 61 7.974 -2.660 -5.192 1.00 0.00 C ATOM 1002 O LYS A 61 9.144 -2.489 -4.854 1.00 0.00 O ATOM 1003 CB LYS A 61 7.241 -2.222 -7.608 1.00 0.00 C ATOM 1004 CG LYS A 61 8.466 -1.721 -8.377 1.00 0.00 C ATOM 1005 CD LYS A 61 8.179 -0.376 -9.048 1.00 0.00 C ATOM 1006 CE LYS A 61 9.280 -0.017 -10.048 1.00 0.00 C ATOM 1007 NZ LYS A 61 10.032 1.172 -9.587 1.00 0.00 N ATOM 0 H LYS A 61 5.718 -4.033 -6.880 1.00 0.00 H new ATOM 0 HA LYS A 61 8.552 -3.726 -6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.524 -2.658 -8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.744 -1.382 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.311 -1.619 -7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.751 -2.454 -9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.218 -0.419 -9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.103 0.404 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.960 -0.861 -10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.841 0.180 -11.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.775 1.402 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.383 1.979 -9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.467 0.971 -8.664 1.00 0.00 H new ATOM 1021 N TYR A 62 6.924 -2.356 -4.444 1.00 0.00 N ATOM 1022 CA TYR A 62 7.090 -1.777 -3.121 1.00 0.00 C ATOM 1023 C TYR A 62 7.758 -2.770 -2.168 1.00 0.00 C ATOM 1024 O TYR A 62 8.590 -2.385 -1.348 1.00 0.00 O ATOM 1025 CB TYR A 62 5.679 -1.471 -2.614 1.00 0.00 C ATOM 1026 CG TYR A 62 5.108 -0.147 -3.126 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.702 1.046 -2.767 1.00 0.00 C ATOM 1028 CD2 TYR A 62 3.998 -0.146 -3.946 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.164 2.292 -3.248 1.00 0.00 C ATOM 1030 CE2 TYR A 62 3.460 1.100 -4.428 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.069 2.257 -4.055 1.00 0.00 C ATOM 1032 OH TYR A 62 3.561 3.434 -4.509 1.00 0.00 O ATOM 0 H TYR A 62 5.955 -2.500 -4.728 1.00 0.00 H new ATOM 0 HA TYR A 62 7.719 -0.888 -3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.013 -2.281 -2.911 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.692 -1.452 -1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.571 1.045 -2.125 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.533 -1.080 -4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.619 3.233 -2.975 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.593 1.115 -5.071 1.00 0.00 H new ATOM 0 HH TYR A 62 4.151 4.170 -4.241 1.00 0.00 H new ATOM 1042 N ARG A 63 7.368 -4.028 -2.307 1.00 0.00 N ATOM 1043 CA ARG A 63 7.918 -5.080 -1.469 1.00 0.00 C ATOM 1044 C ARG A 63 9.433 -5.176 -1.664 1.00 0.00 C ATOM 1045 O ARG A 63 10.177 -5.347 -0.699 1.00 0.00 O ATOM 1046 CB ARG A 63 7.282 -6.433 -1.793 1.00 0.00 C ATOM 1047 CG ARG A 63 7.767 -7.513 -0.824 1.00 0.00 C ATOM 1048 CD ARG A 63 8.996 -8.235 -1.379 1.00 0.00 C ATOM 1049 NE ARG A 63 8.932 -9.675 -1.043 1.00 0.00 N ATOM 1050 CZ ARG A 63 9.849 -10.576 -1.420 1.00 0.00 C ATOM 1051 NH1 ARG A 63 10.906 -10.192 -2.148 1.00 0.00 N ATOM 1052 NH2 ARG A 63 9.709 -11.862 -1.069 1.00 0.00 N ATOM 0 H ARG A 63 6.677 -4.343 -2.988 1.00 0.00 H new ATOM 0 HA ARG A 63 7.697 -4.827 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.196 -6.351 -1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.529 -6.719 -2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.010 -7.061 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.968 -8.232 -0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.045 -8.107 -2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.904 -7.796 -0.964 1.00 0.00 H new ATOM 0 HE ARG A 63 8.140 -10.002 -0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.013 -9.213 -2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.604 -10.878 -2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.904 -12.155 -0.515 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.407 -12.548 -1.356 1.00 0.00 H new ATOM 1066 N GLU A 64 9.844 -5.061 -2.918 1.00 0.00 N ATOM 1067 CA GLU A 64 11.257 -5.133 -3.251 1.00 0.00 C ATOM 1068 C GLU A 64 11.985 -3.884 -2.749 1.00 0.00 C ATOM 1069 O GLU A 64 13.112 -3.972 -2.264 1.00 0.00 O ATOM 1070 CB GLU A 64 11.456 -5.316 -4.757 1.00 0.00 C ATOM 1071 CG GLU A 64 11.734 -6.781 -5.100 1.00 0.00 C ATOM 1072 CD GLU A 64 12.633 -6.894 -6.332 1.00 0.00 C ATOM 1073 OE1 GLU A 64 12.296 -6.241 -7.343 1.00 0.00 O ATOM 1074 OE2 GLU A 64 13.638 -7.632 -6.236 1.00 0.00 O ATOM 0 H GLU A 64 9.224 -4.919 -3.715 1.00 0.00 H new ATOM 0 HA GLU A 64 11.684 -6.003 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.567 -4.977 -5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.286 -4.696 -5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.210 -7.273 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.793 -7.300 -5.283 1.00 0.00 H new ATOM 1081 N MET A 65 11.311 -2.751 -2.883 1.00 0.00 N ATOM 1082 CA MET A 65 11.880 -1.487 -2.449 1.00 0.00 C ATOM 1083 C MET A 65 12.016 -1.441 -0.926 1.00 0.00 C ATOM 1084 O MET A 65 12.995 -0.912 -0.402 1.00 0.00 O ATOM 1085 CB MET A 65 10.985 -0.337 -2.917 1.00 0.00 C ATOM 1086 CG MET A 65 11.565 0.336 -4.162 1.00 0.00 C ATOM 1087 SD MET A 65 10.622 -0.131 -5.604 1.00 0.00 S ATOM 1088 CE MET A 65 9.098 0.739 -5.273 1.00 0.00 C ATOM 0 H MET A 65 10.376 -2.682 -3.286 1.00 0.00 H new ATOM 0 HA MET A 65 12.873 -1.388 -2.887 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.986 -0.714 -3.135 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.881 0.397 -2.117 1.00 0.00 H new ATOM 0 HG2 MET A 65 11.548 1.419 -4.041 1.00 0.00 H new ATOM 0 HG3 MET A 65 12.608 0.046 -4.290 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.431 0.643 -6.130 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.620 0.313 -4.391 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.312 1.793 -5.096 1.00 0.00 H new ATOM 1098 N LEU A 66 11.018 -2.001 -0.257 1.00 0.00 N ATOM 1099 CA LEU A 66 11.014 -2.030 1.195 1.00 0.00 C ATOM 1100 C LEU A 66 11.852 -3.216 1.680 1.00 0.00 C ATOM 1101 O LEU A 66 12.932 -3.031 2.238 1.00 0.00 O ATOM 1102 CB LEU A 66 9.580 -2.033 1.727 1.00 0.00 C ATOM 1103 CG LEU A 66 8.664 -0.931 1.191 1.00 0.00 C ATOM 1104 CD1 LEU A 66 7.200 -1.377 1.209 1.00 0.00 C ATOM 1105 CD2 LEU A 66 8.874 0.377 1.956 1.00 0.00 C ATOM 0 H LEU A 66 10.207 -2.438 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 66 11.476 -1.127 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.129 -2.998 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.616 -1.952 2.813 1.00 0.00 H new ATOM 0 HG LEU A 66 8.930 -0.742 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.571 -0.575 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.082 -2.263 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.903 -1.611 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.211 1.144 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.652 0.221 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.909 0.700 1.847 1.00 0.00 H new ATOM 1117 N GLY A 67 11.321 -4.408 1.448 1.00 0.00 N ATOM 1118 CA GLY A 67 12.006 -5.623 1.853 1.00 0.00 C ATOM 1119 C GLY A 67 13.146 -5.958 0.889 1.00 0.00 C ATOM 1120 O GLY A 67 13.927 -6.875 1.139 1.00 0.00 O ATOM 0 H GLY A 67 10.425 -4.558 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.402 -5.503 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.297 -6.451 1.885 1.00 0.00 H new TER 1124 GLY A 67