USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 772 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 57 THR OG1 : rot -133:sc= 1.46 USER MOD Set 1.2: A 81 ASN :FLIP amide:sc= -0.154 F(o=-5,f=1.3) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -24.9! C(o=-25!,f=-33!) USER MOD Set 2.2: A 51 TYR OH : rot 168:sc= -0.249! USER MOD Set 3.1: A 24 MET CE :methyl -130:sc= -0.92 (180deg=-3.82!) USER MOD Set 3.2: A 25 GLN : amide:sc= -0.371 K(o=-1.3,f=-8.4!) USER MOD Single : A 1 SER N :NH3+ -124:sc= 0.626 (180deg=0.00898) USER MOD Single : A 1 SER OG : rot 180:sc= 0.19 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 127:sc= -2.68 USER MOD Single : A 7 SER OG : rot 150:sc= -0.211 USER MOD Single : A 8 HIS : no HD1:sc= -1.18! C(o=-1.2!,f=-5!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 63:sc= -0.324 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -16.3! C(o=-19!,f=-16!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 46:sc= -1.74 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -70:sc= 0.115 USER MOD Single : A 53 ASN : amide:sc= -2.07 K(o=-2.1,f=-4.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.61) USER MOD Single : A 70 MET CE :methyl -144:sc= -10.2! (180deg=-14!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 104:sc= -0.868! USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= -0.0483 (180deg=-0.834) USER MOD Single : A 82 SER OG : rot -68:sc= -0.244! USER MOD Single : A 85 CYS SG : rot -90:sc= -5.53! USER MOD Single : A 87 GLN : amide:sc= -1.97 K(o=-2,f=-2.5!) USER MOD Single : A 90 MET CE :methyl -155:sc= -9.24! (180deg=-10.8!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 105 GLN : amide:sc= -0.13 K(o=-0.13,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.077 17.136 16.660 1.00 0.00 N ATOM 2 CA SER A 1 14.649 17.402 16.327 1.00 0.00 C ATOM 3 C SER A 1 14.496 18.848 15.853 1.00 0.00 C ATOM 4 O SER A 1 15.414 19.639 15.933 1.00 0.00 O ATOM 5 CB SER A 1 13.786 17.180 17.570 1.00 0.00 C ATOM 6 OG SER A 1 14.623 17.103 18.716 1.00 0.00 O ATOM 0 H1 SER A 1 16.416 16.322 16.109 1.00 0.00 H new ATOM 0 H2 SER A 1 16.649 17.973 16.429 1.00 0.00 H new ATOM 0 H3 SER A 1 16.164 16.927 17.675 1.00 0.00 H new ATOM 0 HA SER A 1 14.329 16.724 15.536 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.072 17.996 17.681 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.207 16.262 17.466 1.00 0.00 H new ATOM 0 HG SER A 1 14.072 16.962 19.514 1.00 0.00 H new ATOM 14 N LYS A 2 13.341 19.199 15.359 1.00 0.00 N ATOM 15 CA LYS A 2 13.126 20.592 14.879 1.00 0.00 C ATOM 16 C LYS A 2 11.649 20.952 15.028 1.00 0.00 C ATOM 17 O LYS A 2 10.797 20.091 15.125 1.00 0.00 O ATOM 18 CB LYS A 2 13.528 20.692 13.407 1.00 0.00 C ATOM 19 CG LYS A 2 14.315 21.984 13.177 1.00 0.00 C ATOM 20 CD LYS A 2 15.088 21.884 11.861 1.00 0.00 C ATOM 21 CE LYS A 2 14.598 22.966 10.897 1.00 0.00 C ATOM 22 NZ LYS A 2 13.784 22.339 9.818 1.00 0.00 N ATOM 0 H LYS A 2 12.536 18.580 15.267 1.00 0.00 H new ATOM 0 HA LYS A 2 13.733 21.280 15.468 1.00 0.00 H new ATOM 0 HB2 LYS A 2 14.133 19.830 13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.640 20.678 12.775 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.636 22.836 13.148 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.004 22.154 14.004 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.156 22.002 12.045 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.948 20.898 11.419 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.002 23.704 11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.448 23.495 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.451 23.075 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.366 21.651 9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.966 21.853 10.238 1.00 0.00 H new ATOM 36 N VAL A 3 11.337 22.217 15.056 1.00 0.00 N ATOM 37 CA VAL A 3 9.919 22.625 15.208 1.00 0.00 C ATOM 38 C VAL A 3 9.685 23.937 14.457 1.00 0.00 C ATOM 39 O VAL A 3 10.355 24.920 14.684 1.00 0.00 O ATOM 40 CB VAL A 3 9.620 22.776 16.709 1.00 0.00 C ATOM 41 CG1 VAL A 3 8.720 23.988 16.995 1.00 0.00 C ATOM 42 CG2 VAL A 3 8.922 21.508 17.185 1.00 0.00 C ATOM 0 H VAL A 3 12.005 22.984 14.980 1.00 0.00 H new ATOM 0 HA VAL A 3 9.249 21.875 14.787 1.00 0.00 H new ATOM 0 HB VAL A 3 10.560 22.933 17.238 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.534 24.058 18.067 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.214 24.897 16.653 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.773 23.870 16.469 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.700 21.592 18.249 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.994 21.373 16.630 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.573 20.650 17.017 1.00 0.00 H new ATOM 52 N VAL A 4 8.732 23.960 13.572 1.00 0.00 N ATOM 53 CA VAL A 4 8.451 25.212 12.814 1.00 0.00 C ATOM 54 C VAL A 4 6.974 25.563 12.970 1.00 0.00 C ATOM 55 O VAL A 4 6.114 24.738 12.761 1.00 0.00 O ATOM 56 CB VAL A 4 8.774 24.999 11.334 1.00 0.00 C ATOM 57 CG1 VAL A 4 8.396 26.253 10.543 1.00 0.00 C ATOM 58 CG2 VAL A 4 10.272 24.730 11.175 1.00 0.00 C ATOM 0 H VAL A 4 8.134 23.167 13.339 1.00 0.00 H new ATOM 0 HA VAL A 4 9.067 26.024 13.201 1.00 0.00 H new ATOM 0 HB VAL A 4 8.208 24.147 10.957 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.626 26.101 9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.330 26.448 10.657 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.963 27.105 10.919 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.504 24.578 10.121 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.837 25.583 11.552 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.543 23.837 11.739 1.00 0.00 H new ATOM 68 N TYR A 5 6.665 26.776 13.333 1.00 0.00 N ATOM 69 CA TYR A 5 5.235 27.150 13.497 1.00 0.00 C ATOM 70 C TYR A 5 4.748 27.851 12.235 1.00 0.00 C ATOM 71 O TYR A 5 5.514 28.461 11.517 1.00 0.00 O ATOM 72 CB TYR A 5 5.062 28.126 14.664 1.00 0.00 C ATOM 73 CG TYR A 5 5.571 27.543 15.965 1.00 0.00 C ATOM 74 CD1 TYR A 5 6.905 27.132 16.094 1.00 0.00 C ATOM 75 CD2 TYR A 5 4.706 27.449 17.060 1.00 0.00 C ATOM 76 CE1 TYR A 5 7.368 26.630 17.315 1.00 0.00 C ATOM 77 CE2 TYR A 5 5.168 26.943 18.278 1.00 0.00 C ATOM 78 CZ TYR A 5 6.499 26.535 18.408 1.00 0.00 C ATOM 79 OH TYR A 5 6.956 26.049 19.615 1.00 0.00 O ATOM 0 H TYR A 5 7.337 27.520 13.522 1.00 0.00 H new ATOM 0 HA TYR A 5 4.666 26.240 13.687 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.596 29.051 14.447 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.008 28.384 14.769 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.576 27.203 15.250 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.679 27.768 16.964 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.396 26.316 17.414 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.496 26.867 19.120 1.00 0.00 H new ATOM 0 HH TYR A 5 6.738 26.685 20.328 1.00 0.00 H new ATOM 89 N VAL A 6 3.476 27.797 11.978 1.00 0.00 N ATOM 90 CA VAL A 6 2.932 28.495 10.781 1.00 0.00 C ATOM 91 C VAL A 6 1.839 29.456 11.223 1.00 0.00 C ATOM 92 O VAL A 6 1.389 29.428 12.349 1.00 0.00 O ATOM 93 CB VAL A 6 2.320 27.499 9.797 1.00 0.00 C ATOM 94 CG1 VAL A 6 2.110 28.191 8.446 1.00 0.00 C ATOM 95 CG2 VAL A 6 3.254 26.303 9.632 1.00 0.00 C ATOM 0 H VAL A 6 2.787 27.301 12.543 1.00 0.00 H new ATOM 0 HA VAL A 6 3.749 29.025 10.292 1.00 0.00 H new ATOM 0 HB VAL A 6 1.360 27.148 10.176 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.673 27.485 7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.438 29.040 8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.069 28.541 8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.816 25.594 8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.217 26.643 9.251 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.397 25.817 10.597 1.00 0.00 H new ATOM 105 N SER A 7 1.392 30.287 10.334 1.00 0.00 N ATOM 106 CA SER A 7 0.311 31.228 10.675 1.00 0.00 C ATOM 107 C SER A 7 -0.840 30.959 9.716 1.00 0.00 C ATOM 108 O SER A 7 -0.666 30.333 8.691 1.00 0.00 O ATOM 109 CB SER A 7 0.803 32.665 10.504 1.00 0.00 C ATOM 110 OG SER A 7 0.714 33.032 9.133 1.00 0.00 O ATOM 0 H SER A 7 1.736 30.352 9.376 1.00 0.00 H new ATOM 0 HA SER A 7 -0.007 31.096 11.709 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.204 33.342 11.113 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.833 32.753 10.850 1.00 0.00 H new ATOM 0 HG SER A 7 0.553 33.996 9.062 1.00 0.00 H new ATOM 116 N HIS A 8 -2.010 31.416 10.024 1.00 0.00 N ATOM 117 CA HIS A 8 -3.146 31.171 9.094 1.00 0.00 C ATOM 118 C HIS A 8 -2.874 31.895 7.770 1.00 0.00 C ATOM 119 O HIS A 8 -3.586 31.720 6.801 1.00 0.00 O ATOM 120 CB HIS A 8 -4.470 31.662 9.697 1.00 0.00 C ATOM 121 CG HIS A 8 -4.252 32.871 10.567 1.00 0.00 C ATOM 122 ND1 HIS A 8 -3.167 33.717 10.412 1.00 0.00 N ATOM 123 CD2 HIS A 8 -4.990 33.393 11.601 1.00 0.00 C ATOM 124 CE1 HIS A 8 -3.281 34.696 11.329 1.00 0.00 C ATOM 125 NE2 HIS A 8 -4.375 34.546 12.080 1.00 0.00 N ATOM 0 H HIS A 8 -2.234 31.943 10.868 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.234 30.098 8.921 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.169 31.906 8.897 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.924 30.864 10.285 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.908 32.973 11.984 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.574 35.504 11.443 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.692 35.147 12.841 1.00 0.00 H new ATOM 133 N ASP A 9 -1.847 32.708 7.718 1.00 0.00 N ATOM 134 CA ASP A 9 -1.535 33.436 6.456 1.00 0.00 C ATOM 135 C ASP A 9 -0.243 32.890 5.831 1.00 0.00 C ATOM 136 O ASP A 9 0.127 33.267 4.737 1.00 0.00 O ATOM 137 CB ASP A 9 -1.364 34.926 6.758 1.00 0.00 C ATOM 138 CG ASP A 9 -0.846 35.643 5.510 1.00 0.00 C ATOM 139 OD1 ASP A 9 0.345 35.566 5.257 1.00 0.00 O ATOM 140 OD2 ASP A 9 -1.650 36.258 4.828 1.00 0.00 O ATOM 0 H ASP A 9 -1.214 32.896 8.495 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.355 33.293 5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.316 35.357 7.069 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.667 35.063 7.585 1.00 0.00 H new ATOM 145 N GLY A 10 0.444 32.004 6.503 1.00 0.00 N ATOM 146 CA GLY A 10 1.701 31.447 5.924 1.00 0.00 C ATOM 147 C GLY A 10 2.899 31.810 6.808 1.00 0.00 C ATOM 148 O GLY A 10 3.858 31.069 6.897 1.00 0.00 O ATOM 0 H GLY A 10 0.191 31.644 7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.620 30.364 5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.851 31.838 4.918 1.00 0.00 H new ATOM 152 N THR A 11 2.860 32.942 7.458 1.00 0.00 N ATOM 153 CA THR A 11 4.003 33.341 8.323 1.00 0.00 C ATOM 154 C THR A 11 4.368 32.186 9.248 1.00 0.00 C ATOM 155 O THR A 11 3.609 31.798 10.114 1.00 0.00 O ATOM 156 CB THR A 11 3.625 34.556 9.169 1.00 0.00 C ATOM 157 OG1 THR A 11 3.383 35.671 8.320 1.00 0.00 O ATOM 158 CG2 THR A 11 4.773 34.878 10.129 1.00 0.00 C ATOM 0 H THR A 11 2.086 33.606 7.426 1.00 0.00 H new ATOM 0 HA THR A 11 4.853 33.594 7.689 1.00 0.00 H new ATOM 0 HB THR A 11 2.722 34.339 9.740 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.139 36.449 8.863 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.508 35.744 10.735 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.955 34.022 10.779 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.675 35.097 9.557 1.00 0.00 H new ATOM 166 N ARG A 12 5.529 31.637 9.066 1.00 0.00 N ATOM 167 CA ARG A 12 5.965 30.503 9.926 1.00 0.00 C ATOM 168 C ARG A 12 7.375 30.772 10.459 1.00 0.00 C ATOM 169 O ARG A 12 8.295 31.022 9.706 1.00 0.00 O ATOM 170 CB ARG A 12 5.972 29.214 9.101 1.00 0.00 C ATOM 171 CG ARG A 12 6.692 29.460 7.774 1.00 0.00 C ATOM 172 CD ARG A 12 6.923 28.126 7.062 1.00 0.00 C ATOM 173 NE ARG A 12 7.126 28.369 5.606 1.00 0.00 N ATOM 174 CZ ARG A 12 7.629 27.431 4.848 1.00 0.00 C ATOM 175 NH1 ARG A 12 7.955 26.276 5.362 1.00 0.00 N ATOM 176 NH2 ARG A 12 7.804 27.649 3.574 1.00 0.00 N ATOM 0 H ARG A 12 6.202 31.924 8.355 1.00 0.00 H new ATOM 0 HA ARG A 12 5.276 30.399 10.764 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.470 28.418 9.655 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.950 28.883 8.916 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.099 30.122 7.144 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.645 29.959 7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.794 27.623 7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.069 27.467 7.216 1.00 0.00 H new ATOM 0 HE ARG A 12 6.872 29.270 5.200 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.817 26.104 6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.347 25.546 4.768 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.548 28.550 3.171 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.197 26.918 2.981 1.00 0.00 H new ATOM 190 N ARG A 13 7.556 30.712 11.752 1.00 0.00 N ATOM 191 CA ARG A 13 8.913 30.952 12.326 1.00 0.00 C ATOM 192 C ARG A 13 9.516 29.608 12.739 1.00 0.00 C ATOM 193 O ARG A 13 8.913 28.847 13.468 1.00 0.00 O ATOM 194 CB ARG A 13 8.824 31.874 13.551 1.00 0.00 C ATOM 195 CG ARG A 13 7.423 31.802 14.164 1.00 0.00 C ATOM 196 CD ARG A 13 6.456 32.645 13.331 1.00 0.00 C ATOM 197 NE ARG A 13 5.106 32.013 13.347 1.00 0.00 N ATOM 198 CZ ARG A 13 4.058 32.694 12.966 1.00 0.00 C ATOM 199 NH1 ARG A 13 4.187 33.931 12.568 1.00 0.00 N ATOM 200 NH2 ARG A 13 2.879 32.135 12.983 1.00 0.00 N ATOM 0 H ARG A 13 6.825 30.508 12.434 1.00 0.00 H new ATOM 0 HA ARG A 13 9.541 31.433 11.577 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.569 31.581 14.291 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.050 32.900 13.261 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.083 30.767 14.198 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.445 32.165 15.192 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.400 33.657 13.732 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.819 32.728 12.306 1.00 0.00 H new ATOM 0 HE ARG A 13 5.000 31.047 13.656 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.108 34.369 12.554 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.367 34.459 12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.777 31.169 13.293 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.059 32.664 12.686 1.00 0.00 H new ATOM 214 N GLN A 14 10.691 29.299 12.266 1.00 0.00 N ATOM 215 CA GLN A 14 11.314 27.991 12.619 1.00 0.00 C ATOM 216 C GLN A 14 12.073 28.097 13.945 1.00 0.00 C ATOM 217 O GLN A 14 12.484 29.163 14.360 1.00 0.00 O ATOM 218 CB GLN A 14 12.287 27.579 11.512 1.00 0.00 C ATOM 219 CG GLN A 14 13.382 28.638 11.374 1.00 0.00 C ATOM 220 CD GLN A 14 14.471 28.128 10.429 1.00 0.00 C ATOM 221 OE1 GLN A 14 15.369 27.422 10.843 1.00 0.00 O ATOM 222 NE2 GLN A 14 14.428 28.456 9.166 1.00 0.00 N ATOM 0 H GLN A 14 11.247 29.894 11.651 1.00 0.00 H new ATOM 0 HA GLN A 14 10.527 27.244 12.723 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.730 26.611 11.745 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.754 27.467 10.568 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.958 29.566 10.990 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.810 28.863 12.351 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.674 29.049 8.818 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.148 28.120 8.527 1.00 0.00 H new ATOM 231 N LEU A 15 12.274 26.984 14.601 1.00 0.00 N ATOM 232 CA LEU A 15 13.019 26.985 15.891 1.00 0.00 C ATOM 233 C LEU A 15 13.374 25.554 16.269 1.00 0.00 C ATOM 234 O LEU A 15 13.104 24.617 15.545 1.00 0.00 O ATOM 235 CB LEU A 15 12.174 27.604 17.009 1.00 0.00 C ATOM 236 CG LEU A 15 10.777 26.992 17.028 1.00 0.00 C ATOM 237 CD1 LEU A 15 10.520 26.364 18.399 1.00 0.00 C ATOM 238 CD2 LEU A 15 9.746 28.093 16.773 1.00 0.00 C ATOM 0 H LEU A 15 11.950 26.067 14.294 1.00 0.00 H new ATOM 0 HA LEU A 15 13.925 27.579 15.767 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.660 27.443 17.971 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.103 28.682 16.864 1.00 0.00 H new ATOM 0 HG LEU A 15 10.697 26.227 16.256 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.522 25.925 18.417 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.261 25.588 18.588 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.593 27.131 19.170 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.744 27.663 16.785 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.825 28.852 17.551 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.934 28.549 15.801 1.00 0.00 H new ATOM 250 N ASP A 16 13.981 25.387 17.401 1.00 0.00 N ATOM 251 CA ASP A 16 14.369 24.019 17.849 1.00 0.00 C ATOM 252 C ASP A 16 13.855 23.780 19.270 1.00 0.00 C ATOM 253 O ASP A 16 14.383 24.310 20.228 1.00 0.00 O ATOM 254 CB ASP A 16 15.894 23.891 17.831 1.00 0.00 C ATOM 255 CG ASP A 16 16.356 23.491 16.428 1.00 0.00 C ATOM 256 OD1 ASP A 16 16.037 24.208 15.494 1.00 0.00 O ATOM 257 OD2 ASP A 16 17.021 22.475 16.313 1.00 0.00 O ATOM 0 H ASP A 16 14.229 26.139 18.043 1.00 0.00 H new ATOM 0 HA ASP A 16 13.933 23.280 17.177 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.352 24.837 18.121 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.216 23.145 18.558 1.00 0.00 H new ATOM 262 N VAL A 17 12.831 22.985 19.416 1.00 0.00 N ATOM 263 CA VAL A 17 12.287 22.713 20.776 1.00 0.00 C ATOM 264 C VAL A 17 13.140 21.642 21.460 1.00 0.00 C ATOM 265 O VAL A 17 13.106 20.483 21.097 1.00 0.00 O ATOM 266 CB VAL A 17 10.845 22.218 20.660 1.00 0.00 C ATOM 267 CG1 VAL A 17 10.333 21.806 22.041 1.00 0.00 C ATOM 268 CG2 VAL A 17 9.965 23.341 20.105 1.00 0.00 C ATOM 0 H VAL A 17 12.348 22.512 18.652 1.00 0.00 H new ATOM 0 HA VAL A 17 12.309 23.629 21.366 1.00 0.00 H new ATOM 0 HB VAL A 17 10.809 21.360 19.989 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.305 21.453 21.958 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.960 21.007 22.438 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.369 22.663 22.713 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.936 22.990 20.022 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.002 24.198 20.777 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.329 23.636 19.121 1.00 0.00 H new ATOM 278 N ALA A 18 13.907 22.022 22.446 1.00 0.00 N ATOM 279 CA ALA A 18 14.762 21.026 23.152 1.00 0.00 C ATOM 280 C ALA A 18 13.937 19.779 23.472 1.00 0.00 C ATOM 281 O ALA A 18 12.737 19.750 23.282 1.00 0.00 O ATOM 282 CB ALA A 18 15.288 21.637 24.452 1.00 0.00 C ATOM 0 H ALA A 18 13.978 22.979 22.793 1.00 0.00 H new ATOM 0 HA ALA A 18 15.601 20.751 22.513 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.913 20.909 24.969 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.877 22.525 24.224 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.449 21.912 25.090 1.00 0.00 H new ATOM 288 N ASP A 19 14.571 18.750 23.962 1.00 0.00 N ATOM 289 CA ASP A 19 13.829 17.510 24.298 1.00 0.00 C ATOM 290 C ASP A 19 13.212 17.657 25.683 1.00 0.00 C ATOM 291 O ASP A 19 13.884 17.945 26.654 1.00 0.00 O ATOM 292 CB ASP A 19 14.781 16.316 24.292 1.00 0.00 C ATOM 293 CG ASP A 19 15.279 16.064 22.867 1.00 0.00 C ATOM 294 OD1 ASP A 19 14.475 16.159 21.955 1.00 0.00 O ATOM 295 OD2 ASP A 19 16.455 15.780 22.713 1.00 0.00 O ATOM 0 H ASP A 19 15.574 18.718 24.144 1.00 0.00 H new ATOM 0 HA ASP A 19 13.046 17.346 23.558 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.625 16.508 24.954 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.272 15.430 24.672 1.00 0.00 H new ATOM 300 N GLY A 20 11.936 17.464 25.772 1.00 0.00 N ATOM 301 CA GLY A 20 11.244 17.590 27.086 1.00 0.00 C ATOM 302 C GLY A 20 10.652 18.995 27.216 1.00 0.00 C ATOM 303 O GLY A 20 10.518 19.525 28.301 1.00 0.00 O ATOM 0 H GLY A 20 11.331 17.222 24.987 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.455 16.842 27.167 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.946 17.403 27.899 1.00 0.00 H new ATOM 307 N VAL A 21 10.297 19.601 26.116 1.00 0.00 N ATOM 308 CA VAL A 21 9.713 20.971 26.175 1.00 0.00 C ATOM 309 C VAL A 21 8.429 21.011 25.347 1.00 0.00 C ATOM 310 O VAL A 21 8.111 20.084 24.632 1.00 0.00 O ATOM 311 CB VAL A 21 10.714 21.978 25.604 1.00 0.00 C ATOM 312 CG1 VAL A 21 10.416 23.370 26.163 1.00 0.00 C ATOM 313 CG2 VAL A 21 12.134 21.564 25.998 1.00 0.00 C ATOM 0 H VAL A 21 10.386 19.207 25.179 1.00 0.00 H new ATOM 0 HA VAL A 21 9.490 21.226 27.211 1.00 0.00 H new ATOM 0 HB VAL A 21 10.628 21.998 24.518 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.130 24.086 25.756 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.405 23.666 25.883 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.501 23.352 27.250 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.848 22.281 25.592 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.219 21.544 27.085 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.348 20.573 25.599 1.00 0.00 H new ATOM 323 N SER A 22 7.692 22.081 25.434 1.00 0.00 N ATOM 324 CA SER A 22 6.432 22.184 24.646 1.00 0.00 C ATOM 325 C SER A 22 6.568 23.327 23.641 1.00 0.00 C ATOM 326 O SER A 22 7.210 24.322 23.908 1.00 0.00 O ATOM 327 CB SER A 22 5.263 22.471 25.589 1.00 0.00 C ATOM 328 OG SER A 22 4.131 22.866 24.826 1.00 0.00 O ATOM 0 H SER A 22 7.907 22.890 26.017 1.00 0.00 H new ATOM 0 HA SER A 22 6.248 21.248 24.119 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.028 21.583 26.177 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.534 23.257 26.294 1.00 0.00 H new ATOM 0 HG SER A 22 3.861 22.131 24.236 1.00 0.00 H new ATOM 334 N LEU A 23 5.971 23.203 22.488 1.00 0.00 N ATOM 335 CA LEU A 23 6.081 24.302 21.492 1.00 0.00 C ATOM 336 C LEU A 23 5.792 25.628 22.199 1.00 0.00 C ATOM 337 O LEU A 23 6.249 26.676 21.789 1.00 0.00 O ATOM 338 CB LEU A 23 5.068 24.087 20.362 1.00 0.00 C ATOM 339 CG LEU A 23 5.499 22.902 19.492 1.00 0.00 C ATOM 340 CD1 LEU A 23 4.688 22.900 18.195 1.00 0.00 C ATOM 341 CD2 LEU A 23 6.985 23.018 19.157 1.00 0.00 C ATOM 0 H LEU A 23 5.418 22.397 22.196 1.00 0.00 H new ATOM 0 HA LEU A 23 7.083 24.316 21.064 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.078 23.901 20.780 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.993 24.988 19.753 1.00 0.00 H new ATOM 0 HG LEU A 23 5.323 21.975 20.038 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.994 22.057 17.576 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.627 22.812 18.429 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.864 23.830 17.655 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.286 22.173 18.538 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.164 23.946 18.615 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.567 23.018 20.079 1.00 0.00 H new ATOM 353 N MET A 24 5.045 25.585 23.271 1.00 0.00 N ATOM 354 CA MET A 24 4.739 26.838 24.015 1.00 0.00 C ATOM 355 C MET A 24 6.005 27.307 24.734 1.00 0.00 C ATOM 356 O MET A 24 6.368 28.465 24.684 1.00 0.00 O ATOM 357 CB MET A 24 3.633 26.571 25.040 1.00 0.00 C ATOM 358 CG MET A 24 4.192 25.730 26.190 1.00 0.00 C ATOM 359 SD MET A 24 2.850 25.286 27.319 1.00 0.00 S ATOM 360 CE MET A 24 3.879 24.567 28.623 1.00 0.00 C ATOM 0 H MET A 24 4.635 24.737 23.662 1.00 0.00 H new ATOM 0 HA MET A 24 4.402 27.608 23.321 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.242 27.514 25.422 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.801 26.050 24.566 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.666 24.830 25.799 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.961 26.289 26.724 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.488 23.587 28.896 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.902 24.462 28.263 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.867 25.218 29.497 1.00 0.00 H new ATOM 370 N GLN A 25 6.689 26.413 25.395 1.00 0.00 N ATOM 371 CA GLN A 25 7.937 26.809 26.101 1.00 0.00 C ATOM 372 C GLN A 25 8.879 27.479 25.099 1.00 0.00 C ATOM 373 O GLN A 25 9.297 28.604 25.283 1.00 0.00 O ATOM 374 CB GLN A 25 8.612 25.567 26.687 1.00 0.00 C ATOM 375 CG GLN A 25 8.462 25.574 28.209 1.00 0.00 C ATOM 376 CD GLN A 25 7.839 24.254 28.668 1.00 0.00 C ATOM 377 OE1 GLN A 25 7.273 23.528 27.874 1.00 0.00 O ATOM 378 NE2 GLN A 25 7.919 23.911 29.924 1.00 0.00 N ATOM 0 H GLN A 25 6.437 25.428 25.476 1.00 0.00 H new ATOM 0 HA GLN A 25 7.701 27.502 26.909 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.162 24.665 26.271 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.667 25.551 26.415 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.435 25.712 28.680 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.836 26.411 28.519 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.394 24.520 30.590 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.507 23.033 30.240 1.00 0.00 H new ATOM 387 N ALA A 26 9.209 26.800 24.033 1.00 0.00 N ATOM 388 CA ALA A 26 10.115 27.405 23.015 1.00 0.00 C ATOM 389 C ALA A 26 9.473 28.676 22.459 1.00 0.00 C ATOM 390 O ALA A 26 10.132 29.517 21.887 1.00 0.00 O ATOM 391 CB ALA A 26 10.339 26.409 21.873 1.00 0.00 C ATOM 0 H ALA A 26 8.891 25.854 23.824 1.00 0.00 H new ATOM 0 HA ALA A 26 11.071 27.649 23.478 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.001 26.852 21.129 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.792 25.499 22.267 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.383 26.166 21.409 1.00 0.00 H new ATOM 397 N ALA A 27 8.187 28.816 22.620 1.00 0.00 N ATOM 398 CA ALA A 27 7.492 30.027 22.098 1.00 0.00 C ATOM 399 C ALA A 27 7.876 31.256 22.931 1.00 0.00 C ATOM 400 O ALA A 27 8.069 32.335 22.407 1.00 0.00 O ATOM 401 CB ALA A 27 5.981 29.810 22.189 1.00 0.00 C ATOM 0 H ALA A 27 7.585 28.142 23.092 1.00 0.00 H new ATOM 0 HA ALA A 27 7.787 30.193 21.062 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.463 30.691 21.809 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.702 28.940 21.594 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.699 29.644 23.229 1.00 0.00 H new ATOM 407 N VAL A 28 7.976 31.105 24.223 1.00 0.00 N ATOM 408 CA VAL A 28 8.331 32.270 25.088 1.00 0.00 C ATOM 409 C VAL A 28 9.503 33.047 24.481 1.00 0.00 C ATOM 410 O VAL A 28 9.596 34.250 24.618 1.00 0.00 O ATOM 411 CB VAL A 28 8.721 31.772 26.481 1.00 0.00 C ATOM 412 CG1 VAL A 28 7.549 31.008 27.099 1.00 0.00 C ATOM 413 CG2 VAL A 28 9.933 30.844 26.374 1.00 0.00 C ATOM 0 H VAL A 28 7.828 30.226 24.719 1.00 0.00 H new ATOM 0 HA VAL A 28 7.467 32.930 25.160 1.00 0.00 H new ATOM 0 HB VAL A 28 8.972 32.625 27.111 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.828 30.654 28.091 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.686 31.669 27.179 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.296 30.156 26.468 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.209 30.490 27.367 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.684 29.992 25.742 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.770 31.388 25.937 1.00 0.00 H new ATOM 423 N SER A 29 10.401 32.372 23.821 1.00 0.00 N ATOM 424 CA SER A 29 11.570 33.077 23.218 1.00 0.00 C ATOM 425 C SER A 29 11.413 33.135 21.701 1.00 0.00 C ATOM 426 O SER A 29 11.377 34.194 21.106 1.00 0.00 O ATOM 427 CB SER A 29 12.838 32.301 23.543 1.00 0.00 C ATOM 428 OG SER A 29 13.961 33.166 23.440 1.00 0.00 O ATOM 0 H SER A 29 10.378 31.363 23.672 1.00 0.00 H new ATOM 0 HA SER A 29 11.627 34.088 23.621 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.776 31.886 24.549 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.949 31.460 22.858 1.00 0.00 H new ATOM 0 HG SER A 29 14.778 32.668 23.651 1.00 0.00 H new ATOM 434 N ASN A 30 11.326 31.992 21.078 1.00 0.00 N ATOM 435 CA ASN A 30 11.175 31.936 19.597 1.00 0.00 C ATOM 436 C ASN A 30 10.248 33.051 19.125 1.00 0.00 C ATOM 437 O ASN A 30 10.345 33.524 18.010 1.00 0.00 O ATOM 438 CB ASN A 30 10.573 30.586 19.216 1.00 0.00 C ATOM 439 CG ASN A 30 11.685 29.539 19.150 1.00 0.00 C ATOM 440 OD1 ASN A 30 11.538 28.409 19.784 1.00 0.00 O flip ATOM 441 ND2 ASN A 30 12.702 29.755 18.521 1.00 0.00 N flip ATOM 0 H ASN A 30 11.354 31.083 21.539 1.00 0.00 H new ATOM 0 HA ASN A 30 12.150 32.061 19.126 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.822 30.290 19.948 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.068 30.659 18.253 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.817 30.639 18.025 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.441 29.052 18.489 1.00 0.00 H new ATOM 448 N GLY A 31 9.347 33.471 19.962 1.00 0.00 N ATOM 449 CA GLY A 31 8.408 34.553 19.557 1.00 0.00 C ATOM 450 C GLY A 31 7.021 33.961 19.337 1.00 0.00 C ATOM 451 O GLY A 31 6.050 34.676 19.190 1.00 0.00 O ATOM 0 H GLY A 31 9.218 33.114 20.909 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.369 35.323 20.327 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.760 35.033 18.644 1.00 0.00 H new ATOM 455 N ILE A 32 6.908 32.660 19.333 1.00 0.00 N ATOM 456 CA ILE A 32 5.560 32.053 19.147 1.00 0.00 C ATOM 457 C ILE A 32 4.734 32.363 20.382 1.00 0.00 C ATOM 458 O ILE A 32 3.528 32.213 20.394 1.00 0.00 O ATOM 459 CB ILE A 32 5.641 30.540 18.968 1.00 0.00 C ATOM 460 CG1 ILE A 32 7.005 30.148 18.422 1.00 0.00 C ATOM 461 CG2 ILE A 32 4.560 30.088 17.986 1.00 0.00 C ATOM 462 CD1 ILE A 32 7.308 30.944 17.153 1.00 0.00 C ATOM 0 H ILE A 32 7.678 32.001 19.449 1.00 0.00 H new ATOM 0 HA ILE A 32 5.107 32.469 18.247 1.00 0.00 H new ATOM 0 HB ILE A 32 5.491 30.061 19.935 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.774 30.336 19.172 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.026 29.080 18.205 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.615 29.007 17.856 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.578 30.357 18.376 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.714 30.577 17.024 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.287 30.657 16.769 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.547 30.734 16.401 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.307 32.009 17.383 1.00 0.00 H new ATOM 474 N TYR A 33 5.371 32.819 21.422 1.00 0.00 N ATOM 475 CA TYR A 33 4.605 33.174 22.642 1.00 0.00 C ATOM 476 C TYR A 33 3.454 34.062 22.174 1.00 0.00 C ATOM 477 O TYR A 33 2.382 34.084 22.747 1.00 0.00 O ATOM 478 CB TYR A 33 5.532 33.902 23.642 1.00 0.00 C ATOM 479 CG TYR A 33 4.998 35.276 23.994 1.00 0.00 C ATOM 480 CD1 TYR A 33 5.096 36.322 23.069 1.00 0.00 C ATOM 481 CD2 TYR A 33 4.406 35.498 25.242 1.00 0.00 C ATOM 482 CE1 TYR A 33 4.603 37.592 23.394 1.00 0.00 C ATOM 483 CE2 TYR A 33 3.913 36.767 25.568 1.00 0.00 C ATOM 484 CZ TYR A 33 4.011 37.814 24.643 1.00 0.00 C ATOM 485 OH TYR A 33 3.525 39.065 24.964 1.00 0.00 O ATOM 0 H TYR A 33 6.380 32.960 21.479 1.00 0.00 H new ATOM 0 HA TYR A 33 4.215 32.298 23.161 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.631 33.305 24.549 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.529 33.997 23.213 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.552 36.150 22.105 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.329 34.690 25.954 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.680 38.400 22.681 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.457 36.939 26.532 1.00 0.00 H new ATOM 0 HH TYR A 33 3.146 39.047 25.867 1.00 0.00 H new ATOM 495 N ASP A 34 3.680 34.765 21.098 1.00 0.00 N ATOM 496 CA ASP A 34 2.621 35.630 20.527 1.00 0.00 C ATOM 497 C ASP A 34 1.855 34.813 19.484 1.00 0.00 C ATOM 498 O ASP A 34 0.677 35.016 19.267 1.00 0.00 O ATOM 499 CB ASP A 34 3.256 36.852 19.861 1.00 0.00 C ATOM 500 CG ASP A 34 2.633 38.127 20.433 1.00 0.00 C ATOM 501 OD1 ASP A 34 2.445 38.182 21.637 1.00 0.00 O ATOM 502 OD2 ASP A 34 2.353 39.026 19.656 1.00 0.00 O ATOM 0 H ASP A 34 4.564 34.774 20.588 1.00 0.00 H new ATOM 0 HA ASP A 34 1.946 35.972 21.312 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.333 36.853 20.030 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.103 36.812 18.783 1.00 0.00 H new ATOM 507 N ILE A 35 2.514 33.877 18.840 1.00 0.00 N ATOM 508 CA ILE A 35 1.811 33.045 17.825 1.00 0.00 C ATOM 509 C ILE A 35 1.569 31.648 18.402 1.00 0.00 C ATOM 510 O ILE A 35 1.719 30.651 17.724 1.00 0.00 O ATOM 511 CB ILE A 35 2.674 32.936 16.566 1.00 0.00 C ATOM 512 CG1 ILE A 35 2.928 34.336 16.002 1.00 0.00 C ATOM 513 CG2 ILE A 35 1.947 32.090 15.520 1.00 0.00 C ATOM 514 CD1 ILE A 35 4.434 34.604 15.958 1.00 0.00 C ATOM 0 H ILE A 35 3.501 33.658 18.976 1.00 0.00 H new ATOM 0 HA ILE A 35 0.857 33.507 17.569 1.00 0.00 H new ATOM 0 HB ILE A 35 3.625 32.465 16.816 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.504 34.419 15.001 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.433 35.084 16.621 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.562 32.013 14.623 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.764 31.093 15.922 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.996 32.560 15.268 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.615 35.601 15.556 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.845 34.539 16.966 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.917 33.863 15.321 1.00 0.00 H new ATOM 526 N VAL A 36 1.199 31.567 19.653 1.00 0.00 N ATOM 527 CA VAL A 36 0.953 30.235 20.274 1.00 0.00 C ATOM 528 C VAL A 36 -0.233 30.332 21.247 1.00 0.00 C ATOM 529 O VAL A 36 -1.121 31.143 21.074 1.00 0.00 O ATOM 530 CB VAL A 36 2.227 29.780 21.006 1.00 0.00 C ATOM 531 CG1 VAL A 36 2.266 30.358 22.425 1.00 0.00 C ATOM 532 CG2 VAL A 36 2.260 28.251 21.074 1.00 0.00 C ATOM 0 H VAL A 36 1.057 32.366 20.270 1.00 0.00 H new ATOM 0 HA VAL A 36 0.707 29.502 19.506 1.00 0.00 H new ATOM 0 HB VAL A 36 3.096 30.142 20.456 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.174 30.026 22.928 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.256 31.447 22.375 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.395 30.013 22.982 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.163 27.929 21.593 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.384 27.892 21.614 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.257 27.842 20.064 1.00 0.00 H new ATOM 542 N GLY A 37 -0.258 29.511 22.265 1.00 0.00 N ATOM 543 CA GLY A 37 -1.389 29.557 23.237 1.00 0.00 C ATOM 544 C GLY A 37 -1.284 30.818 24.098 1.00 0.00 C ATOM 545 O GLY A 37 -0.631 31.777 23.737 1.00 0.00 O ATOM 0 H GLY A 37 0.456 28.811 22.465 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.339 29.548 22.703 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.372 28.671 23.871 1.00 0.00 H new ATOM 549 N ASP A 38 -1.928 30.826 25.236 1.00 0.00 N ATOM 550 CA ASP A 38 -1.870 32.026 26.117 1.00 0.00 C ATOM 551 C ASP A 38 -1.794 31.594 27.586 1.00 0.00 C ATOM 552 O ASP A 38 -0.912 32.003 28.315 1.00 0.00 O ATOM 553 CB ASP A 38 -3.124 32.876 25.902 1.00 0.00 C ATOM 554 CG ASP A 38 -2.911 34.263 26.511 1.00 0.00 C ATOM 555 OD1 ASP A 38 -1.771 34.602 26.780 1.00 0.00 O ATOM 556 OD2 ASP A 38 -3.893 34.963 26.698 1.00 0.00 O ATOM 0 H ASP A 38 -2.491 30.053 25.592 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.983 32.609 25.869 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.338 32.964 24.837 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.986 32.394 26.362 1.00 0.00 H new ATOM 561 N CYS A 39 -2.713 30.777 28.031 1.00 0.00 N ATOM 562 CA CYS A 39 -2.685 30.336 29.457 1.00 0.00 C ATOM 563 C CYS A 39 -1.412 29.526 29.722 1.00 0.00 C ATOM 564 O CYS A 39 -1.071 29.243 30.853 1.00 0.00 O ATOM 565 CB CYS A 39 -3.924 29.486 29.764 1.00 0.00 C ATOM 566 SG CYS A 39 -3.755 27.843 29.020 1.00 0.00 S ATOM 0 H CYS A 39 -3.478 30.398 27.472 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.690 31.213 30.105 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.052 29.393 30.842 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.817 29.978 29.378 1.00 0.00 H new ATOM 571 N GLY A 40 -0.701 29.160 28.689 1.00 0.00 N ATOM 572 CA GLY A 40 0.554 28.380 28.887 1.00 0.00 C ATOM 573 C GLY A 40 0.232 26.888 28.995 1.00 0.00 C ATOM 574 O GLY A 40 -0.848 26.448 28.656 1.00 0.00 O ATOM 0 H GLY A 40 -0.935 29.367 27.718 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.235 28.554 28.054 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.063 28.717 29.790 1.00 0.00 H new ATOM 578 N GLY A 41 1.168 26.107 29.465 1.00 0.00 N ATOM 579 CA GLY A 41 0.928 24.641 29.597 1.00 0.00 C ATOM 580 C GLY A 41 -0.473 24.396 30.158 1.00 0.00 C ATOM 581 O GLY A 41 -1.081 23.373 29.908 1.00 0.00 O ATOM 0 H GLY A 41 2.091 26.422 29.764 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.031 24.157 28.626 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.676 24.198 30.255 1.00 0.00 H new ATOM 585 N SER A 42 -0.992 25.324 30.913 1.00 0.00 N ATOM 586 CA SER A 42 -2.354 25.139 31.487 1.00 0.00 C ATOM 587 C SER A 42 -3.365 24.972 30.351 1.00 0.00 C ATOM 588 O SER A 42 -3.060 25.197 29.197 1.00 0.00 O ATOM 589 CB SER A 42 -2.725 26.364 32.324 1.00 0.00 C ATOM 590 OG SER A 42 -2.649 27.528 31.512 1.00 0.00 O ATOM 0 H SER A 42 -0.533 26.201 31.157 1.00 0.00 H new ATOM 0 HA SER A 42 -2.366 24.251 32.119 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.732 26.252 32.726 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.050 26.455 33.175 1.00 0.00 H new ATOM 0 HG SER A 42 -3.087 27.356 30.652 1.00 0.00 H new ATOM 596 N ALA A 43 -4.568 24.579 30.669 1.00 0.00 N ATOM 597 CA ALA A 43 -5.597 24.399 29.607 1.00 0.00 C ATOM 598 C ALA A 43 -6.864 25.161 29.997 1.00 0.00 C ATOM 599 O ALA A 43 -7.873 24.575 30.337 1.00 0.00 O ATOM 600 CB ALA A 43 -5.921 22.911 29.458 1.00 0.00 C ATOM 0 H ALA A 43 -4.882 24.375 31.618 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.217 24.783 28.660 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.674 22.779 28.681 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.017 22.367 29.184 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.303 22.525 30.403 1.00 0.00 H new ATOM 606 N SER A 44 -6.821 26.464 29.953 1.00 0.00 N ATOM 607 CA SER A 44 -8.023 27.261 30.326 1.00 0.00 C ATOM 608 C SER A 44 -8.395 28.205 29.180 1.00 0.00 C ATOM 609 O SER A 44 -9.449 28.809 29.182 1.00 0.00 O ATOM 610 CB SER A 44 -7.720 28.080 31.581 1.00 0.00 C ATOM 611 OG SER A 44 -8.080 27.326 32.732 1.00 0.00 O ATOM 0 H SER A 44 -6.006 27.011 29.675 1.00 0.00 H new ATOM 0 HA SER A 44 -8.856 26.586 30.521 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.661 28.335 31.616 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.274 29.019 31.559 1.00 0.00 H new ATOM 0 HG SER A 44 -7.885 27.847 33.539 1.00 0.00 H new ATOM 617 N CYS A 45 -7.541 28.340 28.201 1.00 0.00 N ATOM 618 CA CYS A 45 -7.861 29.249 27.065 1.00 0.00 C ATOM 619 C CYS A 45 -8.086 28.425 25.793 1.00 0.00 C ATOM 620 O CYS A 45 -8.010 27.212 25.805 1.00 0.00 O ATOM 621 CB CYS A 45 -6.707 30.250 26.864 1.00 0.00 C ATOM 622 SG CYS A 45 -5.400 29.537 25.823 1.00 0.00 S ATOM 0 H CYS A 45 -6.641 27.863 28.139 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.772 29.805 27.286 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.088 31.161 26.403 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.293 30.532 27.832 1.00 0.00 H new ATOM 627 N ALA A 46 -8.356 29.076 24.697 1.00 0.00 N ATOM 628 CA ALA A 46 -8.578 28.335 23.425 1.00 0.00 C ATOM 629 C ALA A 46 -7.772 29.001 22.308 1.00 0.00 C ATOM 630 O ALA A 46 -7.965 28.727 21.140 1.00 0.00 O ATOM 631 CB ALA A 46 -10.066 28.363 23.070 1.00 0.00 C ATOM 0 H ALA A 46 -8.433 30.091 24.627 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.255 27.300 23.542 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.228 27.820 22.139 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.640 27.893 23.869 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.392 29.396 22.949 1.00 0.00 H new ATOM 637 N THR A 47 -6.869 29.876 22.660 1.00 0.00 N ATOM 638 CA THR A 47 -6.048 30.561 21.623 1.00 0.00 C ATOM 639 C THR A 47 -4.986 29.595 21.094 1.00 0.00 C ATOM 640 O THR A 47 -4.395 29.817 20.057 1.00 0.00 O ATOM 641 CB THR A 47 -5.365 31.784 22.240 1.00 0.00 C ATOM 642 OG1 THR A 47 -4.213 31.367 22.961 1.00 0.00 O ATOM 643 CG2 THR A 47 -6.335 32.490 23.188 1.00 0.00 C ATOM 0 H THR A 47 -6.665 30.146 23.622 1.00 0.00 H new ATOM 0 HA THR A 47 -6.690 30.880 20.802 1.00 0.00 H new ATOM 0 HB THR A 47 -5.070 32.473 21.449 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.489 30.877 23.763 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.847 33.360 23.626 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.218 32.810 22.634 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.633 31.804 23.981 1.00 0.00 H new ATOM 651 N CYS A 48 -4.740 28.524 21.798 1.00 0.00 N ATOM 652 CA CYS A 48 -3.718 27.547 21.330 1.00 0.00 C ATOM 653 C CYS A 48 -4.351 26.535 20.370 1.00 0.00 C ATOM 654 O CYS A 48 -4.058 25.358 20.408 1.00 0.00 O ATOM 655 CB CYS A 48 -3.078 26.844 22.527 1.00 0.00 C ATOM 656 SG CYS A 48 -4.279 25.787 23.366 1.00 0.00 S ATOM 0 H CYS A 48 -5.202 28.284 22.675 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.936 28.081 20.790 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.231 26.245 22.193 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.689 27.585 23.225 1.00 0.00 H new ATOM 661 N HIS A 49 -5.200 27.006 19.490 1.00 0.00 N ATOM 662 CA HIS A 49 -5.843 26.107 18.484 1.00 0.00 C ATOM 663 C HIS A 49 -4.857 25.924 17.332 1.00 0.00 C ATOM 664 O HIS A 49 -5.105 26.351 16.222 1.00 0.00 O ATOM 665 CB HIS A 49 -7.112 26.784 17.947 1.00 0.00 C ATOM 666 CG HIS A 49 -7.799 25.890 16.959 1.00 0.00 C ATOM 667 ND1 HIS A 49 -8.898 25.130 17.298 1.00 0.00 N ATOM 668 CD2 HIS A 49 -7.557 25.629 15.633 1.00 0.00 C ATOM 669 CE1 HIS A 49 -9.266 24.451 16.208 1.00 0.00 C ATOM 670 NE2 HIS A 49 -8.485 24.714 15.164 1.00 0.00 N ATOM 0 H HIS A 49 -5.477 27.986 19.426 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.102 25.148 18.932 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.787 27.013 18.772 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -6.855 27.731 17.473 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.765 26.069 15.046 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.101 23.767 16.178 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.554 24.326 14.223 1.00 0.00 H new ATOM 678 N VAL A 50 -3.728 25.326 17.573 1.00 0.00 N ATOM 679 CA VAL A 50 -2.752 25.187 16.470 1.00 0.00 C ATOM 680 C VAL A 50 -3.129 24.020 15.588 1.00 0.00 C ATOM 681 O VAL A 50 -3.658 23.020 16.030 1.00 0.00 O ATOM 682 CB VAL A 50 -1.350 24.955 17.012 1.00 0.00 C ATOM 683 CG1 VAL A 50 -0.999 26.046 18.025 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.284 23.585 17.686 1.00 0.00 C ATOM 0 H VAL A 50 -3.444 24.934 18.471 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.766 26.112 15.893 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.635 24.989 16.190 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.006 25.875 18.410 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.041 27.021 17.539 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.712 26.021 18.849 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.279 23.419 18.074 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.001 23.548 18.506 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.525 22.810 16.959 1.00 0.00 H new ATOM 694 N TYR A 51 -2.842 24.151 14.342 1.00 0.00 N ATOM 695 CA TYR A 51 -3.151 23.071 13.388 1.00 0.00 C ATOM 696 C TYR A 51 -1.834 22.414 12.981 1.00 0.00 C ATOM 697 O TYR A 51 -1.027 22.977 12.274 1.00 0.00 O ATOM 698 CB TYR A 51 -3.842 23.695 12.196 1.00 0.00 C ATOM 699 CG TYR A 51 -5.345 23.681 12.401 1.00 0.00 C ATOM 700 CD1 TYR A 51 -6.031 22.464 12.376 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.061 24.881 12.579 1.00 0.00 C ATOM 702 CE1 TYR A 51 -7.418 22.430 12.528 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.454 24.844 12.721 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.130 23.618 12.695 1.00 0.00 C ATOM 705 OH TYR A 51 -9.500 23.583 12.827 1.00 0.00 O ATOM 0 H TYR A 51 -2.399 24.974 13.933 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.804 22.312 13.820 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.495 24.719 12.059 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.585 23.148 11.289 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.484 21.543 12.238 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.538 25.826 12.606 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.940 21.484 12.516 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.007 25.762 12.851 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.823 24.461 13.120 1.00 0.00 H new ATOM 715 N VAL A 52 -1.600 21.242 13.478 1.00 0.00 N ATOM 716 CA VAL A 52 -0.315 20.536 13.203 1.00 0.00 C ATOM 717 C VAL A 52 -0.392 19.668 11.950 1.00 0.00 C ATOM 718 O VAL A 52 -1.454 19.387 11.430 1.00 0.00 O ATOM 719 CB VAL A 52 -0.013 19.646 14.401 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.448 19.191 14.362 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.283 20.434 15.684 1.00 0.00 C ATOM 0 H VAL A 52 -2.250 20.729 14.073 1.00 0.00 H new ATOM 0 HA VAL A 52 0.465 21.279 13.039 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.651 18.763 14.372 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.654 18.555 15.223 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.630 18.631 13.445 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.101 20.063 14.390 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.070 19.806 16.549 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.356 21.316 15.710 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.328 20.742 15.708 1.00 0.00 H new ATOM 731 N ASN A 53 0.747 19.226 11.479 1.00 0.00 N ATOM 732 CA ASN A 53 0.777 18.354 10.276 1.00 0.00 C ATOM 733 C ASN A 53 0.073 17.040 10.611 1.00 0.00 C ATOM 734 O ASN A 53 -0.448 16.872 11.693 1.00 0.00 O ATOM 735 CB ASN A 53 2.229 18.073 9.884 1.00 0.00 C ATOM 736 CG ASN A 53 2.487 18.598 8.470 1.00 0.00 C ATOM 737 OD1 ASN A 53 1.566 18.961 7.767 1.00 0.00 O ATOM 738 ND2 ASN A 53 3.711 18.653 8.022 1.00 0.00 N ATOM 0 H ASN A 53 1.660 19.436 11.882 1.00 0.00 H new ATOM 0 HA ASN A 53 0.273 18.846 9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.907 18.552 10.591 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.428 17.002 9.928 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.894 19.001 7.081 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.485 18.348 8.613 1.00 0.00 H new ATOM 745 N GLU A 54 0.050 16.111 9.699 1.00 0.00 N ATOM 746 CA GLU A 54 -0.632 14.814 9.979 1.00 0.00 C ATOM 747 C GLU A 54 0.399 13.739 10.342 1.00 0.00 C ATOM 748 O GLU A 54 0.048 12.636 10.711 1.00 0.00 O ATOM 749 CB GLU A 54 -1.409 14.372 8.738 1.00 0.00 C ATOM 750 CG GLU A 54 -1.974 15.601 8.024 1.00 0.00 C ATOM 751 CD GLU A 54 -3.269 15.223 7.303 1.00 0.00 C ATOM 752 OE1 GLU A 54 -3.190 14.497 6.325 1.00 0.00 O ATOM 753 OE2 GLU A 54 -4.319 15.666 7.740 1.00 0.00 O ATOM 0 H GLU A 54 0.472 16.191 8.774 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.316 14.947 10.817 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.755 13.816 8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.218 13.700 9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.165 16.397 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.247 15.986 7.309 1.00 0.00 H new ATOM 760 N ALA A 55 1.665 14.039 10.231 1.00 0.00 N ATOM 761 CA ALA A 55 2.698 13.014 10.561 1.00 0.00 C ATOM 762 C ALA A 55 3.443 13.398 11.843 1.00 0.00 C ATOM 763 O ALA A 55 4.350 12.711 12.269 1.00 0.00 O ATOM 764 CB ALA A 55 3.696 12.909 9.407 1.00 0.00 C ATOM 0 H ALA A 55 2.027 14.943 9.928 1.00 0.00 H new ATOM 0 HA ALA A 55 2.205 12.054 10.714 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.451 12.161 9.646 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.171 12.617 8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.178 13.875 9.254 1.00 0.00 H new ATOM 770 N PHE A 56 3.080 14.487 12.461 1.00 0.00 N ATOM 771 CA PHE A 56 3.786 14.896 13.709 1.00 0.00 C ATOM 772 C PHE A 56 2.823 14.847 14.898 1.00 0.00 C ATOM 773 O PHE A 56 3.237 14.762 16.037 1.00 0.00 O ATOM 774 CB PHE A 56 4.332 16.311 13.541 1.00 0.00 C ATOM 775 CG PHE A 56 5.588 16.253 12.705 1.00 0.00 C ATOM 776 CD1 PHE A 56 6.812 15.913 13.298 1.00 0.00 C ATOM 777 CD2 PHE A 56 5.531 16.536 11.335 1.00 0.00 C ATOM 778 CE1 PHE A 56 7.975 15.857 12.522 1.00 0.00 C ATOM 779 CE2 PHE A 56 6.695 16.480 10.559 1.00 0.00 C ATOM 780 CZ PHE A 56 7.917 16.141 11.152 1.00 0.00 C ATOM 0 H PHE A 56 2.330 15.109 12.159 1.00 0.00 H new ATOM 0 HA PHE A 56 4.611 14.209 13.898 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.589 16.948 13.061 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.547 16.750 14.515 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.857 15.694 14.355 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.589 16.798 10.877 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.917 15.595 12.980 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.650 16.698 9.502 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.815 16.099 10.553 1.00 0.00 H new ATOM 790 N THR A 57 1.542 14.893 14.650 1.00 0.00 N ATOM 791 CA THR A 57 0.569 14.839 15.777 1.00 0.00 C ATOM 792 C THR A 57 0.423 13.393 16.258 1.00 0.00 C ATOM 793 O THR A 57 -0.345 13.103 17.153 1.00 0.00 O ATOM 794 CB THR A 57 -0.795 15.352 15.315 1.00 0.00 C ATOM 795 OG1 THR A 57 -0.946 15.115 13.922 1.00 0.00 O ATOM 796 CG2 THR A 57 -0.894 16.849 15.598 1.00 0.00 C ATOM 0 H THR A 57 1.129 14.965 13.720 1.00 0.00 H new ATOM 0 HA THR A 57 0.935 15.465 16.591 1.00 0.00 H new ATOM 0 HB THR A 57 -1.584 14.829 15.854 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.288 15.924 13.488 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.866 17.218 15.270 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.782 17.025 16.668 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.105 17.374 15.059 1.00 0.00 H new ATOM 804 N ASP A 58 1.149 12.482 15.668 1.00 0.00 N ATOM 805 CA ASP A 58 1.043 11.058 16.095 1.00 0.00 C ATOM 806 C ASP A 58 1.967 10.808 17.288 1.00 0.00 C ATOM 807 O ASP A 58 1.533 10.401 18.347 1.00 0.00 O ATOM 808 CB ASP A 58 1.448 10.146 14.935 1.00 0.00 C ATOM 809 CG ASP A 58 0.218 9.824 14.084 1.00 0.00 C ATOM 810 OD1 ASP A 58 -0.661 10.666 14.008 1.00 0.00 O ATOM 811 OD2 ASP A 58 0.177 8.742 13.524 1.00 0.00 O ATOM 0 H ASP A 58 1.809 12.662 14.911 1.00 0.00 H new ATOM 0 HA ASP A 58 0.014 10.844 16.385 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.208 10.633 14.324 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.889 9.226 15.319 1.00 0.00 H new ATOM 816 N LYS A 59 3.240 11.046 17.125 1.00 0.00 N ATOM 817 CA LYS A 59 4.189 10.818 18.250 1.00 0.00 C ATOM 818 C LYS A 59 3.661 11.503 19.513 1.00 0.00 C ATOM 819 O LYS A 59 3.752 10.971 20.602 1.00 0.00 O ATOM 820 CB LYS A 59 5.557 11.398 17.889 1.00 0.00 C ATOM 821 CG LYS A 59 6.383 10.339 17.156 1.00 0.00 C ATOM 822 CD LYS A 59 5.546 9.722 16.035 1.00 0.00 C ATOM 823 CE LYS A 59 6.362 8.644 15.321 1.00 0.00 C ATOM 824 NZ LYS A 59 5.964 8.588 13.886 1.00 0.00 N ATOM 0 H LYS A 59 3.663 11.388 16.262 1.00 0.00 H new ATOM 0 HA LYS A 59 4.285 9.748 18.432 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.435 12.280 17.260 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.077 11.720 18.791 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.286 10.789 16.744 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.702 9.565 17.854 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.633 9.290 16.445 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.244 10.493 15.326 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.426 8.863 15.406 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.197 7.676 15.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.519 7.855 13.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.952 8.360 13.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.143 9.510 13.440 1.00 0.00 H new ATOM 838 N VAL A 60 3.109 12.679 19.380 1.00 0.00 N ATOM 839 CA VAL A 60 2.579 13.389 20.571 1.00 0.00 C ATOM 840 C VAL A 60 1.546 12.503 21.274 1.00 0.00 C ATOM 841 O VAL A 60 1.070 11.541 20.704 1.00 0.00 O ATOM 842 CB VAL A 60 1.918 14.702 20.141 1.00 0.00 C ATOM 843 CG1 VAL A 60 2.946 15.833 20.184 1.00 0.00 C ATOM 844 CG2 VAL A 60 1.359 14.580 18.720 1.00 0.00 C ATOM 0 H VAL A 60 3.004 13.176 18.496 1.00 0.00 H new ATOM 0 HA VAL A 60 3.399 13.607 21.255 1.00 0.00 H new ATOM 0 HB VAL A 60 1.099 14.920 20.827 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.473 16.766 19.878 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.330 15.937 21.199 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.768 15.603 19.506 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.893 15.522 18.430 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.169 14.349 18.029 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.616 13.783 18.688 1.00 0.00 H new ATOM 854 N PRO A 61 1.233 12.854 22.495 1.00 0.00 N ATOM 855 CA PRO A 61 0.257 12.100 23.302 1.00 0.00 C ATOM 856 C PRO A 61 -1.102 12.068 22.597 1.00 0.00 C ATOM 857 O PRO A 61 -1.311 12.728 21.599 1.00 0.00 O ATOM 858 CB PRO A 61 0.164 12.869 24.627 1.00 0.00 C ATOM 859 CG PRO A 61 1.149 14.064 24.549 1.00 0.00 C ATOM 860 CD PRO A 61 1.822 14.026 23.168 1.00 0.00 C ATOM 0 HA PRO A 61 0.556 11.063 23.453 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -0.854 13.222 24.793 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.417 12.219 25.465 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.619 15.006 24.690 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.896 13.996 25.340 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.630 14.942 22.609 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.904 13.929 23.258 1.00 0.00 H new ATOM 868 N ALA A 62 -2.027 11.305 23.111 1.00 0.00 N ATOM 869 CA ALA A 62 -3.371 11.229 22.472 1.00 0.00 C ATOM 870 C ALA A 62 -4.399 11.913 23.371 1.00 0.00 C ATOM 871 O ALA A 62 -5.357 11.308 23.809 1.00 0.00 O ATOM 872 CB ALA A 62 -3.761 9.765 22.278 1.00 0.00 C ATOM 0 H ALA A 62 -1.910 10.731 23.946 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.342 11.729 21.504 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.744 9.709 21.811 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.027 9.275 21.639 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.791 9.265 23.246 1.00 0.00 H new ATOM 878 N ALA A 63 -4.203 13.171 23.648 1.00 0.00 N ATOM 879 CA ALA A 63 -5.162 13.907 24.520 1.00 0.00 C ATOM 880 C ALA A 63 -6.595 13.523 24.144 1.00 0.00 C ATOM 881 O ALA A 63 -7.079 13.857 23.081 1.00 0.00 O ATOM 882 CB ALA A 63 -4.972 15.413 24.328 1.00 0.00 C ATOM 0 H ALA A 63 -3.417 13.724 23.307 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.978 13.646 25.562 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.673 15.952 24.965 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.952 15.688 24.596 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.156 15.673 23.285 1.00 0.00 H new ATOM 888 N ASN A 64 -7.277 12.821 25.008 1.00 0.00 N ATOM 889 CA ASN A 64 -8.677 12.414 24.700 1.00 0.00 C ATOM 890 C ASN A 64 -9.519 13.657 24.409 1.00 0.00 C ATOM 891 O ASN A 64 -9.001 14.711 24.097 1.00 0.00 O ATOM 892 CB ASN A 64 -9.267 11.668 25.898 1.00 0.00 C ATOM 893 CG ASN A 64 -8.204 10.748 26.502 1.00 0.00 C ATOM 894 OD1 ASN A 64 -7.474 10.092 25.786 1.00 0.00 O ATOM 895 ND2 ASN A 64 -8.085 10.672 27.799 1.00 0.00 N ATOM 0 H ASN A 64 -6.925 12.512 25.914 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.681 11.761 23.827 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.615 12.379 26.647 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.133 11.084 25.586 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.379 10.062 28.212 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.698 11.223 28.400 1.00 0.00 H new ATOM 902 N GLU A 65 -10.815 13.543 24.508 1.00 0.00 N ATOM 903 CA GLU A 65 -11.691 14.717 24.236 1.00 0.00 C ATOM 904 C GLU A 65 -11.818 15.563 25.504 1.00 0.00 C ATOM 905 O GLU A 65 -12.328 16.665 25.478 1.00 0.00 O ATOM 906 CB GLU A 65 -13.076 14.231 23.807 1.00 0.00 C ATOM 907 CG GLU A 65 -13.894 15.414 23.284 1.00 0.00 C ATOM 908 CD GLU A 65 -15.066 14.896 22.449 1.00 0.00 C ATOM 909 OE1 GLU A 65 -14.829 14.476 21.328 1.00 0.00 O ATOM 910 OE2 GLU A 65 -16.180 14.927 22.945 1.00 0.00 O ATOM 0 H GLU A 65 -11.305 12.687 24.766 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.254 15.319 23.439 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.982 13.470 23.033 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.587 13.766 24.650 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -14.264 16.011 24.118 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.264 16.067 22.680 1.00 0.00 H new ATOM 917 N ARG A 66 -11.358 15.057 26.616 1.00 0.00 N ATOM 918 CA ARG A 66 -11.454 15.833 27.884 1.00 0.00 C ATOM 919 C ARG A 66 -10.951 17.260 27.649 1.00 0.00 C ATOM 920 O ARG A 66 -11.707 18.210 27.696 1.00 0.00 O ATOM 921 CB ARG A 66 -10.597 15.161 28.959 1.00 0.00 C ATOM 922 CG ARG A 66 -11.172 13.780 29.280 1.00 0.00 C ATOM 923 CD ARG A 66 -12.647 13.916 29.663 1.00 0.00 C ATOM 924 NE ARG A 66 -13.045 12.766 30.522 1.00 0.00 N ATOM 925 CZ ARG A 66 -14.156 12.813 31.208 1.00 0.00 C ATOM 926 NH1 ARG A 66 -14.923 13.868 31.145 1.00 0.00 N ATOM 927 NH2 ARG A 66 -14.500 11.802 31.959 1.00 0.00 N ATOM 0 H ARG A 66 -10.920 14.140 26.701 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.493 15.864 28.213 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.568 15.067 28.612 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.575 15.776 29.859 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.069 13.122 28.417 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.614 13.323 30.097 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.811 14.854 30.194 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.266 13.945 28.766 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.449 11.940 30.575 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.655 14.659 30.559 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.790 13.901 31.682 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.902 10.977 32.009 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.367 11.837 32.495 1.00 0.00 H new ATOM 941 N GLU A 67 -9.680 17.417 27.397 1.00 0.00 N ATOM 942 CA GLU A 67 -9.131 18.782 27.161 1.00 0.00 C ATOM 943 C GLU A 67 -9.725 19.356 25.872 1.00 0.00 C ATOM 944 O GLU A 67 -9.609 20.533 25.594 1.00 0.00 O ATOM 945 CB GLU A 67 -7.609 18.704 27.030 1.00 0.00 C ATOM 946 CG GLU A 67 -7.030 17.962 28.236 1.00 0.00 C ATOM 947 CD GLU A 67 -6.853 18.938 29.401 1.00 0.00 C ATOM 948 OE1 GLU A 67 -6.786 20.128 29.145 1.00 0.00 O ATOM 949 OE2 GLU A 67 -6.789 18.478 30.529 1.00 0.00 O ATOM 0 H GLU A 67 -8.999 16.660 27.344 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.391 19.428 28.000 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.339 18.188 26.108 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.187 19.707 26.970 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.693 17.148 28.528 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.071 17.514 27.974 1.00 0.00 H new ATOM 956 N ILE A 68 -10.359 18.533 25.082 1.00 0.00 N ATOM 957 CA ILE A 68 -10.959 19.032 23.813 1.00 0.00 C ATOM 958 C ILE A 68 -12.217 19.844 24.127 1.00 0.00 C ATOM 959 O ILE A 68 -12.552 20.782 23.432 1.00 0.00 O ATOM 960 CB ILE A 68 -11.329 17.845 22.923 1.00 0.00 C ATOM 961 CG1 ILE A 68 -10.056 17.098 22.516 1.00 0.00 C ATOM 962 CG2 ILE A 68 -12.045 18.350 21.669 1.00 0.00 C ATOM 963 CD1 ILE A 68 -10.386 16.090 21.414 1.00 0.00 C ATOM 0 H ILE A 68 -10.487 17.537 25.261 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.238 19.665 23.295 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.988 17.172 23.471 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.304 17.804 22.164 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.632 16.584 23.379 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.309 17.504 21.035 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.951 18.883 21.957 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.386 19.023 21.120 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -9.480 15.558 21.124 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.123 15.377 21.782 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.790 16.616 20.549 1.00 0.00 H new ATOM 975 N GLY A 69 -12.916 19.490 25.170 1.00 0.00 N ATOM 976 CA GLY A 69 -14.153 20.241 25.529 1.00 0.00 C ATOM 977 C GLY A 69 -13.895 21.743 25.406 1.00 0.00 C ATOM 978 O GLY A 69 -14.559 22.437 24.662 1.00 0.00 O ATOM 0 H GLY A 69 -12.685 18.713 25.789 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.972 19.948 24.872 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.457 19.996 26.547 1.00 0.00 H new ATOM 982 N MET A 70 -12.936 22.251 26.129 1.00 0.00 N ATOM 983 CA MET A 70 -12.637 23.709 26.050 1.00 0.00 C ATOM 984 C MET A 70 -12.064 24.033 24.671 1.00 0.00 C ATOM 985 O MET A 70 -12.192 25.136 24.178 1.00 0.00 O ATOM 986 CB MET A 70 -11.617 24.080 27.129 1.00 0.00 C ATOM 987 CG MET A 70 -10.541 22.997 27.209 1.00 0.00 C ATOM 988 SD MET A 70 -9.081 23.658 28.050 1.00 0.00 S ATOM 989 CE MET A 70 -8.717 24.978 26.867 1.00 0.00 C ATOM 0 H MET A 70 -12.347 21.721 26.771 1.00 0.00 H new ATOM 0 HA MET A 70 -13.552 24.279 26.207 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.162 25.043 26.898 1.00 0.00 H new ATOM 0 HB3 MET A 70 -12.114 24.185 28.093 1.00 0.00 H new ATOM 0 HG2 MET A 70 -10.922 22.129 27.748 1.00 0.00 H new ATOM 0 HG3 MET A 70 -10.275 22.659 26.207 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.637 25.095 26.773 1.00 0.00 H new ATOM 0 HE2 MET A 70 -9.140 24.723 25.895 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.154 25.913 27.219 1.00 0.00 H new ATOM 999 N LEU A 71 -11.436 23.078 24.041 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.861 23.330 22.690 1.00 0.00 C ATOM 1001 C LEU A 71 -11.908 22.999 21.624 1.00 0.00 C ATOM 1002 O LEU A 71 -11.633 23.019 20.441 1.00 0.00 O ATOM 1003 CB LEU A 71 -9.625 22.450 22.487 1.00 0.00 C ATOM 1004 CG LEU A 71 -8.437 23.320 22.072 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -8.673 23.875 20.667 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -8.286 24.480 23.059 1.00 0.00 C ATOM 0 H LEU A 71 -11.296 22.135 24.403 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.574 24.378 22.605 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.392 21.915 23.408 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.823 21.699 21.723 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.529 22.717 22.075 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.826 24.494 20.373 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.780 23.050 19.963 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.582 24.477 20.662 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.440 25.101 22.764 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.195 25.081 23.056 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.115 24.086 24.061 1.00 0.00 H new ATOM 1018 N GLU A 72 -13.110 22.697 22.035 1.00 0.00 N ATOM 1019 CA GLU A 72 -14.175 22.369 21.048 1.00 0.00 C ATOM 1020 C GLU A 72 -14.980 23.632 20.740 1.00 0.00 C ATOM 1021 O GLU A 72 -15.496 23.804 19.653 1.00 0.00 O ATOM 1022 CB GLU A 72 -15.101 21.299 21.633 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.364 21.189 20.776 1.00 0.00 C ATOM 1024 CD GLU A 72 -15.978 20.814 19.344 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -15.605 19.672 19.132 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -16.063 21.675 18.484 1.00 0.00 O ATOM 0 H GLU A 72 -13.399 22.664 23.013 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.723 21.991 20.131 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.587 20.338 21.667 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.366 21.555 22.659 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -17.034 20.437 21.192 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.904 22.136 20.782 1.00 0.00 H new ATOM 1033 N CYS A 73 -15.088 24.521 21.690 1.00 0.00 N ATOM 1034 CA CYS A 73 -15.855 25.776 21.453 1.00 0.00 C ATOM 1035 C CYS A 73 -14.881 26.905 21.112 1.00 0.00 C ATOM 1036 O CYS A 73 -15.226 28.070 21.154 1.00 0.00 O ATOM 1037 CB CYS A 73 -16.639 26.141 22.715 1.00 0.00 C ATOM 1038 SG CYS A 73 -17.862 24.852 23.060 1.00 0.00 S ATOM 0 H CYS A 73 -14.678 24.432 22.620 1.00 0.00 H new ATOM 0 HA CYS A 73 -16.550 25.630 20.626 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -15.959 26.248 23.560 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -17.136 27.102 22.582 1.00 0.00 H new ATOM 0 HG CYS A 73 -18.527 25.161 24.134 1.00 0.00 H new ATOM 1044 N VAL A 74 -13.666 26.569 20.773 1.00 0.00 N ATOM 1045 CA VAL A 74 -12.669 27.622 20.429 1.00 0.00 C ATOM 1046 C VAL A 74 -13.306 28.636 19.479 1.00 0.00 C ATOM 1047 O VAL A 74 -14.407 28.447 19.000 1.00 0.00 O ATOM 1048 CB VAL A 74 -11.459 26.978 19.751 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -10.896 25.876 20.650 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.889 26.373 18.413 1.00 0.00 C ATOM 0 H VAL A 74 -13.321 25.611 20.719 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.348 28.129 21.339 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.693 27.734 19.581 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.034 25.417 20.166 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.591 26.305 21.604 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.662 25.119 20.821 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.028 25.913 17.928 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.655 25.617 18.585 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.291 27.157 17.771 1.00 0.00 H new ATOM 1060 N THR A 75 -12.624 29.712 19.204 1.00 0.00 N ATOM 1061 CA THR A 75 -13.192 30.739 18.286 1.00 0.00 C ATOM 1062 C THR A 75 -13.141 30.229 16.846 1.00 0.00 C ATOM 1063 O THR A 75 -13.587 30.893 15.931 1.00 0.00 O ATOM 1064 CB THR A 75 -12.378 32.031 18.392 1.00 0.00 C ATOM 1065 OG1 THR A 75 -12.356 32.467 19.743 1.00 0.00 O ATOM 1066 CG2 THR A 75 -13.017 33.110 17.517 1.00 0.00 C ATOM 0 H THR A 75 -11.698 29.925 19.575 1.00 0.00 H new ATOM 0 HA THR A 75 -14.227 30.935 18.567 1.00 0.00 H new ATOM 0 HB THR A 75 -11.358 31.847 18.054 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.485 32.256 20.141 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.437 34.030 17.592 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.033 32.775 16.480 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.037 33.295 17.854 1.00 0.00 H new ATOM 1074 N ALA A 76 -12.601 29.060 16.628 1.00 0.00 N ATOM 1075 CA ALA A 76 -12.530 28.536 15.238 1.00 0.00 C ATOM 1076 C ALA A 76 -13.155 27.145 15.177 1.00 0.00 C ATOM 1077 O ALA A 76 -14.010 26.793 15.966 1.00 0.00 O ATOM 1078 CB ALA A 76 -11.068 28.449 14.797 1.00 0.00 C ATOM 0 H ALA A 76 -12.210 28.451 17.347 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.075 29.209 14.576 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.018 28.065 13.778 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.617 29.441 14.834 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.526 27.779 15.465 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.711 26.348 14.251 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.233 24.972 14.117 1.00 0.00 C ATOM 1086 C GLU A 77 -12.099 24.034 14.480 1.00 0.00 C ATOM 1087 O GLU A 77 -10.956 24.405 14.373 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.662 24.721 12.673 1.00 0.00 C ATOM 1089 CG GLU A 77 -12.898 25.641 11.715 1.00 0.00 C ATOM 1090 CD GLU A 77 -13.499 25.527 10.313 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -14.707 25.644 10.197 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -12.740 25.325 9.379 1.00 0.00 O ATOM 0 H GLU A 77 -11.995 26.601 13.570 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.096 24.816 14.764 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.478 23.679 12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.734 24.891 12.572 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.952 26.672 12.063 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.843 25.367 11.694 1.00 0.00 H new ATOM 1099 N LEU A 78 -12.369 22.835 14.906 1.00 0.00 N ATOM 1100 CA LEU A 78 -11.228 21.952 15.257 1.00 0.00 C ATOM 1101 C LEU A 78 -11.336 20.590 14.590 1.00 0.00 C ATOM 1102 O LEU A 78 -12.403 20.092 14.289 1.00 0.00 O ATOM 1103 CB LEU A 78 -11.133 21.771 16.773 1.00 0.00 C ATOM 1104 CG LEU A 78 -9.675 21.484 17.127 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -9.184 22.463 18.192 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -9.535 20.052 17.646 1.00 0.00 C ATOM 0 H LEU A 78 -13.301 22.437 15.024 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.325 22.439 14.890 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.479 22.668 17.286 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.772 20.951 17.099 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.070 21.604 16.228 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.144 22.246 18.434 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.264 23.482 17.814 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.794 22.360 19.089 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.492 19.856 17.896 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.151 19.926 18.536 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.861 19.353 16.876 1.00 0.00 H new ATOM 1118 N LYS A 79 -10.201 19.996 14.372 1.00 0.00 N ATOM 1119 CA LYS A 79 -10.127 18.662 13.737 1.00 0.00 C ATOM 1120 C LYS A 79 -9.169 17.807 14.582 1.00 0.00 C ATOM 1121 O LYS A 79 -8.470 18.328 15.427 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.610 18.834 12.303 1.00 0.00 C ATOM 1123 CG LYS A 79 -10.797 18.914 11.340 1.00 0.00 C ATOM 1124 CD LYS A 79 -11.142 17.515 10.826 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.963 17.631 9.541 1.00 0.00 C ATOM 1126 NZ LYS A 79 -12.903 18.782 9.654 1.00 0.00 N ATOM 0 H LYS A 79 -9.295 20.395 14.617 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.100 18.173 13.690 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.006 19.738 12.229 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.966 17.997 12.034 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.659 19.348 11.846 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.555 19.569 10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.229 16.950 10.637 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.705 16.967 11.582 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.302 17.770 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.519 16.710 9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.665 18.678 8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.312 18.803 10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.389 19.669 9.478 1.00 0.00 H new ATOM 1140 N PRO A 80 -9.180 16.525 14.352 1.00 0.00 N ATOM 1141 CA PRO A 80 -8.332 15.582 15.107 1.00 0.00 C ATOM 1142 C PRO A 80 -6.861 15.996 15.030 1.00 0.00 C ATOM 1143 O PRO A 80 -6.038 15.556 15.807 1.00 0.00 O ATOM 1144 CB PRO A 80 -8.558 14.225 14.426 1.00 0.00 C ATOM 1145 CG PRO A 80 -9.616 14.431 13.310 1.00 0.00 C ATOM 1146 CD PRO A 80 -10.023 15.914 13.320 1.00 0.00 C ATOM 0 HA PRO A 80 -8.585 15.555 16.167 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.626 13.848 14.005 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.903 13.486 15.149 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.207 14.153 12.339 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.484 13.795 13.484 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -9.856 16.377 12.347 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.081 16.032 13.552 1.00 0.00 H new ATOM 1154 N ASN A 81 -6.528 16.833 14.093 1.00 0.00 N ATOM 1155 CA ASN A 81 -5.112 17.274 13.951 1.00 0.00 C ATOM 1156 C ASN A 81 -4.820 18.463 14.877 1.00 0.00 C ATOM 1157 O ASN A 81 -3.714 18.626 15.352 1.00 0.00 O ATOM 1158 CB ASN A 81 -4.856 17.687 12.501 1.00 0.00 C ATOM 1159 CG ASN A 81 -3.790 16.773 11.902 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -2.789 16.392 12.646 1.00 0.00 O flip ATOM 1161 ND2 ASN A 81 -3.867 16.402 10.747 1.00 0.00 N flip ATOM 0 H ASN A 81 -7.176 17.234 13.415 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.457 16.447 14.227 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.777 17.620 11.923 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.528 18.726 12.458 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.651 16.701 10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.148 15.792 10.358 1.00 0.00 H new ATOM 1168 N SER A 82 -5.791 19.297 15.137 1.00 0.00 N ATOM 1169 CA SER A 82 -5.540 20.470 16.030 1.00 0.00 C ATOM 1170 C SER A 82 -5.104 19.980 17.407 1.00 0.00 C ATOM 1171 O SER A 82 -5.342 18.848 17.776 1.00 0.00 O ATOM 1172 CB SER A 82 -6.806 21.299 16.167 1.00 0.00 C ATOM 1173 OG SER A 82 -7.502 21.291 14.929 1.00 0.00 O ATOM 0 H SER A 82 -6.741 19.220 14.774 1.00 0.00 H new ATOM 0 HA SER A 82 -4.753 21.086 15.595 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.438 20.893 16.957 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.557 22.321 16.452 1.00 0.00 H new ATOM 0 HG SER A 82 -6.989 21.793 14.262 1.00 0.00 H new ATOM 1179 N ARG A 83 -4.462 20.820 18.173 1.00 0.00 N ATOM 1180 CA ARG A 83 -4.016 20.381 19.523 1.00 0.00 C ATOM 1181 C ARG A 83 -3.705 21.600 20.387 1.00 0.00 C ATOM 1182 O ARG A 83 -3.117 22.561 19.931 1.00 0.00 O ATOM 1183 CB ARG A 83 -2.757 19.521 19.389 1.00 0.00 C ATOM 1184 CG ARG A 83 -3.084 18.071 19.751 1.00 0.00 C ATOM 1185 CD ARG A 83 -3.723 18.020 21.139 1.00 0.00 C ATOM 1186 NE ARG A 83 -2.755 17.433 22.119 1.00 0.00 N ATOM 1187 CZ ARG A 83 -2.114 16.320 21.862 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -2.433 15.586 20.827 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -1.186 15.908 22.681 1.00 0.00 N ATOM 0 H ARG A 83 -4.230 21.782 17.925 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.810 19.800 19.992 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.375 19.574 18.370 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.973 19.902 20.044 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.762 17.645 19.012 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.176 17.468 19.735 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.011 19.023 21.454 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.633 17.421 21.109 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.591 17.910 23.006 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.189 15.878 20.208 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.925 14.722 20.639 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.964 16.452 23.515 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.683 15.042 22.487 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.074 21.566 21.636 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.771 22.720 22.521 1.00 0.00 C ATOM 1205 C LEU A 84 -2.253 22.862 22.623 1.00 0.00 C ATOM 1206 O LEU A 84 -1.592 22.060 23.247 1.00 0.00 O ATOM 1207 CB LEU A 84 -4.357 22.470 23.912 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.850 22.797 23.905 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -6.658 21.499 23.867 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -6.205 23.580 25.171 1.00 0.00 C ATOM 0 H LEU A 84 -4.570 20.793 22.079 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.208 23.631 22.112 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.203 21.430 24.201 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.843 23.085 24.650 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.086 23.397 23.026 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.723 21.733 23.862 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.405 20.939 22.966 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.423 20.898 24.745 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.270 23.814 25.168 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.968 22.979 26.049 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.630 24.506 25.200 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.693 23.865 22.005 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.213 24.044 22.061 1.00 0.00 C ATOM 1224 C CYS A 85 0.288 23.796 23.487 1.00 0.00 C ATOM 1225 O CYS A 85 1.427 23.431 23.700 1.00 0.00 O ATOM 1226 CB CYS A 85 0.144 25.471 21.638 1.00 0.00 C ATOM 1227 SG CYS A 85 1.526 25.425 20.470 1.00 0.00 S ATOM 0 H CYS A 85 -2.195 24.569 21.464 1.00 0.00 H new ATOM 0 HA CYS A 85 0.260 23.332 21.385 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.719 25.952 21.178 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.412 26.065 22.512 1.00 0.00 H new ATOM 0 HG CYS A 85 2.648 25.495 21.123 1.00 0.00 H new ATOM 1233 N CYS A 86 -0.551 23.998 24.464 1.00 0.00 N ATOM 1234 CA CYS A 86 -0.123 23.781 25.875 1.00 0.00 C ATOM 1235 C CYS A 86 -0.323 22.314 26.270 1.00 0.00 C ATOM 1236 O CYS A 86 -0.608 22.011 27.412 1.00 0.00 O ATOM 1237 CB CYS A 86 -0.956 24.664 26.804 1.00 0.00 C ATOM 1238 SG CYS A 86 -2.701 24.206 26.663 1.00 0.00 S ATOM 0 H CYS A 86 -1.517 24.305 24.347 1.00 0.00 H new ATOM 0 HA CYS A 86 0.933 24.038 25.964 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.620 24.546 27.834 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.822 25.714 26.543 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.190 21.400 25.348 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.390 19.965 25.706 1.00 0.00 C ATOM 1245 C GLN A 87 0.410 19.061 24.764 1.00 0.00 C ATOM 1246 O GLN A 87 0.085 17.904 24.583 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.877 19.620 25.596 1.00 0.00 C ATOM 1248 CG GLN A 87 -2.632 20.228 26.780 1.00 0.00 C ATOM 1249 CD GLN A 87 -3.739 19.272 27.226 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -4.452 18.726 26.407 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -3.914 19.045 28.499 1.00 0.00 N ATOM 0 H GLN A 87 0.046 21.580 24.372 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.043 19.805 26.727 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.281 20.002 24.659 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.010 18.538 25.583 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.945 20.416 27.605 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.060 21.190 26.497 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.315 19.504 29.186 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.649 18.409 28.807 1.00 0.00 H new ATOM 1260 N ILE A 88 1.456 19.565 24.169 1.00 0.00 N ATOM 1261 CA ILE A 88 2.265 18.709 23.253 1.00 0.00 C ATOM 1262 C ILE A 88 3.751 19.013 23.444 1.00 0.00 C ATOM 1263 O ILE A 88 4.168 20.154 23.455 1.00 0.00 O ATOM 1264 CB ILE A 88 1.872 18.976 21.800 1.00 0.00 C ATOM 1265 CG1 ILE A 88 1.402 20.425 21.647 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.738 18.031 21.397 1.00 0.00 C ATOM 1267 CD1 ILE A 88 0.760 20.607 20.271 1.00 0.00 C ATOM 0 H ILE A 88 1.785 20.525 24.275 1.00 0.00 H new ATOM 0 HA ILE A 88 2.074 17.662 23.487 1.00 0.00 H new ATOM 0 HB ILE A 88 2.737 18.807 21.158 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.685 20.671 22.431 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.245 21.107 21.760 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.457 18.221 20.361 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.071 16.998 21.499 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.123 18.200 22.043 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.424 21.638 20.160 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.491 20.377 19.495 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.093 19.935 20.176 1.00 0.00 H new ATOM 1279 N ILE A 89 4.553 17.995 23.601 1.00 0.00 N ATOM 1280 CA ILE A 89 6.006 18.207 23.799 1.00 0.00 C ATOM 1281 C ILE A 89 6.764 17.735 22.555 1.00 0.00 C ATOM 1282 O ILE A 89 6.356 16.809 21.883 1.00 0.00 O ATOM 1283 CB ILE A 89 6.453 17.394 25.011 1.00 0.00 C ATOM 1284 CG1 ILE A 89 5.688 17.863 26.251 1.00 0.00 C ATOM 1285 CG2 ILE A 89 7.946 17.589 25.230 1.00 0.00 C ATOM 1286 CD1 ILE A 89 5.796 19.383 26.374 1.00 0.00 C ATOM 0 H ILE A 89 4.256 17.019 23.600 1.00 0.00 H new ATOM 0 HA ILE A 89 6.213 19.265 23.962 1.00 0.00 H new ATOM 0 HB ILE A 89 6.247 16.338 24.836 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.641 17.567 26.179 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.093 17.386 27.143 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.266 17.009 26.095 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.490 17.254 24.347 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.153 18.645 25.405 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.251 19.716 27.257 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.844 19.667 26.466 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.370 19.851 25.487 1.00 0.00 H new ATOM 1298 N MET A 90 7.868 18.359 22.246 1.00 0.00 N ATOM 1299 CA MET A 90 8.652 17.941 21.053 1.00 0.00 C ATOM 1300 C MET A 90 9.874 17.148 21.510 1.00 0.00 C ATOM 1301 O MET A 90 10.956 17.677 21.667 1.00 0.00 O ATOM 1302 CB MET A 90 9.098 19.177 20.270 1.00 0.00 C ATOM 1303 CG MET A 90 10.248 18.824 19.314 1.00 0.00 C ATOM 1304 SD MET A 90 9.906 17.250 18.481 1.00 0.00 S ATOM 1305 CE MET A 90 9.779 17.901 16.799 1.00 0.00 C ATOM 0 H MET A 90 8.260 19.141 22.770 1.00 0.00 H new ATOM 0 HA MET A 90 8.033 17.317 20.408 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.258 19.579 19.704 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.419 19.956 20.961 1.00 0.00 H new ATOM 0 HG2 MET A 90 10.373 19.616 18.575 1.00 0.00 H new ATOM 0 HG3 MET A 90 11.184 18.755 19.868 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.159 17.236 16.198 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.328 18.893 16.826 1.00 0.00 H new ATOM 0 HE3 MET A 90 10.774 17.967 16.358 1.00 0.00 H new ATOM 1315 N THR A 91 9.698 15.882 21.721 1.00 0.00 N ATOM 1316 CA THR A 91 10.835 15.028 22.168 1.00 0.00 C ATOM 1317 C THR A 91 11.728 14.708 20.965 1.00 0.00 C ATOM 1318 O THR A 91 11.378 15.008 19.841 1.00 0.00 O ATOM 1319 CB THR A 91 10.295 13.725 22.766 1.00 0.00 C ATOM 1320 OG1 THR A 91 8.884 13.678 22.606 1.00 0.00 O ATOM 1321 CG2 THR A 91 10.642 13.663 24.255 1.00 0.00 C ATOM 0 H THR A 91 8.811 15.393 21.604 1.00 0.00 H new ATOM 0 HA THR A 91 11.414 15.558 22.924 1.00 0.00 H new ATOM 0 HB THR A 91 10.747 12.876 22.252 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.539 12.844 22.987 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.258 12.736 24.680 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.724 13.697 24.378 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.191 14.512 24.769 1.00 0.00 H new ATOM 1329 N PRO A 92 12.858 14.106 21.237 1.00 0.00 N ATOM 1330 CA PRO A 92 13.820 13.734 20.185 1.00 0.00 C ATOM 1331 C PRO A 92 13.159 12.788 19.177 1.00 0.00 C ATOM 1332 O PRO A 92 13.672 12.558 18.100 1.00 0.00 O ATOM 1333 CB PRO A 92 14.962 13.028 20.928 1.00 0.00 C ATOM 1334 CG PRO A 92 14.630 13.058 22.442 1.00 0.00 C ATOM 1335 CD PRO A 92 13.267 13.748 22.608 1.00 0.00 C ATOM 0 HA PRO A 92 14.175 14.596 19.620 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.067 12.000 20.580 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.911 13.528 20.735 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.598 12.046 22.847 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.401 13.597 22.992 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.541 13.083 23.077 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.345 14.632 23.241 1.00 0.00 H new ATOM 1343 N GLU A 93 12.023 12.243 19.517 1.00 0.00 N ATOM 1344 CA GLU A 93 11.330 11.318 18.577 1.00 0.00 C ATOM 1345 C GLU A 93 10.802 12.113 17.381 1.00 0.00 C ATOM 1346 O GLU A 93 11.036 11.766 16.241 1.00 0.00 O ATOM 1347 CB GLU A 93 10.162 10.640 19.296 1.00 0.00 C ATOM 1348 CG GLU A 93 10.701 9.717 20.390 1.00 0.00 C ATOM 1349 CD GLU A 93 9.803 8.485 20.508 1.00 0.00 C ATOM 1350 OE1 GLU A 93 9.291 8.050 19.490 1.00 0.00 O ATOM 1351 OE2 GLU A 93 9.641 7.997 21.615 1.00 0.00 O ATOM 0 H GLU A 93 11.545 12.398 20.405 1.00 0.00 H new ATOM 0 HA GLU A 93 12.030 10.559 18.229 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.504 11.392 19.732 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.566 10.068 18.585 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.722 9.415 20.155 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.737 10.246 21.342 1.00 0.00 H new ATOM 1358 N LEU A 94 10.091 13.179 17.632 1.00 0.00 N ATOM 1359 CA LEU A 94 9.551 13.996 16.509 1.00 0.00 C ATOM 1360 C LEU A 94 10.629 14.966 16.023 1.00 0.00 C ATOM 1361 O LEU A 94 11.347 15.553 16.809 1.00 0.00 O ATOM 1362 CB LEU A 94 8.334 14.788 16.992 1.00 0.00 C ATOM 1363 CG LEU A 94 7.124 13.859 17.090 1.00 0.00 C ATOM 1364 CD1 LEU A 94 6.503 13.976 18.483 1.00 0.00 C ATOM 1365 CD2 LEU A 94 6.089 14.259 16.036 1.00 0.00 C ATOM 0 H LEU A 94 9.861 13.519 18.566 1.00 0.00 H new ATOM 0 HA LEU A 94 9.255 13.339 15.691 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.541 15.236 17.964 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.123 15.606 16.303 1.00 0.00 H new ATOM 0 HG LEU A 94 7.440 12.830 16.918 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.640 13.314 18.553 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.240 13.693 19.235 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.186 15.005 18.655 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.225 13.597 16.105 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.773 15.288 16.209 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.531 14.177 15.043 1.00 0.00 H new ATOM 1377 N ASP A 95 10.750 15.143 14.736 1.00 0.00 N ATOM 1378 CA ASP A 95 11.785 16.078 14.210 1.00 0.00 C ATOM 1379 C ASP A 95 11.257 16.776 12.955 1.00 0.00 C ATOM 1380 O ASP A 95 10.724 16.148 12.061 1.00 0.00 O ATOM 1381 CB ASP A 95 13.053 15.294 13.863 1.00 0.00 C ATOM 1382 CG ASP A 95 12.698 14.134 12.931 1.00 0.00 C ATOM 1383 OD1 ASP A 95 12.214 13.130 13.426 1.00 0.00 O ATOM 1384 OD2 ASP A 95 12.917 14.270 11.739 1.00 0.00 O ATOM 0 H ASP A 95 10.179 14.682 14.028 1.00 0.00 H new ATOM 0 HA ASP A 95 12.016 16.825 14.969 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.779 15.950 13.383 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.519 14.914 14.772 1.00 0.00 H new ATOM 1389 N GLY A 96 11.395 18.072 12.883 1.00 0.00 N ATOM 1390 CA GLY A 96 10.896 18.807 11.688 1.00 0.00 C ATOM 1391 C GLY A 96 9.369 18.803 11.705 1.00 0.00 C ATOM 1392 O GLY A 96 8.725 18.689 10.680 1.00 0.00 O ATOM 0 H GLY A 96 11.831 18.652 13.600 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.270 19.831 11.692 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.264 18.337 10.776 1.00 0.00 H new ATOM 1396 N ILE A 97 8.785 18.920 12.865 1.00 0.00 N ATOM 1397 CA ILE A 97 7.299 18.917 12.952 1.00 0.00 C ATOM 1398 C ILE A 97 6.753 20.229 12.396 1.00 0.00 C ATOM 1399 O ILE A 97 7.381 21.264 12.494 1.00 0.00 O ATOM 1400 CB ILE A 97 6.868 18.749 14.414 1.00 0.00 C ATOM 1401 CG1 ILE A 97 5.361 19.027 14.542 1.00 0.00 C ATOM 1402 CG2 ILE A 97 7.661 19.717 15.300 1.00 0.00 C ATOM 1403 CD1 ILE A 97 5.099 20.532 14.688 1.00 0.00 C ATOM 0 H ILE A 97 9.273 19.017 13.756 1.00 0.00 H new ATOM 0 HA ILE A 97 6.903 18.087 12.367 1.00 0.00 H new ATOM 0 HB ILE A 97 7.069 17.728 14.738 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.840 18.645 13.664 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.960 18.497 15.406 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.353 19.595 16.338 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.726 19.503 15.210 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.469 20.742 14.982 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.027 20.708 14.777 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.603 20.904 15.580 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.481 21.055 13.811 1.00 0.00 H new ATOM 1415 N VAL A 98 5.591 20.196 11.803 1.00 0.00 N ATOM 1416 CA VAL A 98 5.019 21.445 11.236 1.00 0.00 C ATOM 1417 C VAL A 98 3.756 21.831 12.004 1.00 0.00 C ATOM 1418 O VAL A 98 2.713 21.228 11.848 1.00 0.00 O ATOM 1419 CB VAL A 98 4.666 21.221 9.766 1.00 0.00 C ATOM 1420 CG1 VAL A 98 4.419 22.571 9.090 1.00 0.00 C ATOM 1421 CG2 VAL A 98 5.824 20.505 9.067 1.00 0.00 C ATOM 0 H VAL A 98 5.017 19.361 11.688 1.00 0.00 H new ATOM 0 HA VAL A 98 5.753 22.246 11.321 1.00 0.00 H new ATOM 0 HB VAL A 98 3.766 20.610 9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.167 22.412 8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.595 23.082 9.588 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.319 23.182 9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.573 20.345 8.018 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.724 21.116 9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.001 19.543 9.549 1.00 0.00 H new ATOM 1431 N VAL A 99 3.836 22.847 12.813 1.00 0.00 N ATOM 1432 CA VAL A 99 2.637 23.292 13.569 1.00 0.00 C ATOM 1433 C VAL A 99 2.022 24.462 12.814 1.00 0.00 C ATOM 1434 O VAL A 99 2.704 25.182 12.112 1.00 0.00 O ATOM 1435 CB VAL A 99 3.013 23.734 14.994 1.00 0.00 C ATOM 1436 CG1 VAL A 99 2.477 22.712 15.997 1.00 0.00 C ATOM 1437 CG2 VAL A 99 4.535 23.834 15.144 1.00 0.00 C ATOM 0 H VAL A 99 4.683 23.390 12.984 1.00 0.00 H new ATOM 0 HA VAL A 99 1.930 22.467 13.655 1.00 0.00 H new ATOM 0 HB VAL A 99 2.575 24.714 15.184 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.741 23.021 17.008 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.392 22.650 15.908 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.915 21.735 15.790 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.781 24.148 16.158 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.985 22.861 14.946 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.923 24.564 14.434 1.00 0.00 H new ATOM 1447 N ASP A 100 0.745 24.662 12.933 1.00 0.00 N ATOM 1448 CA ASP A 100 0.118 25.789 12.198 1.00 0.00 C ATOM 1449 C ASP A 100 -0.697 26.640 13.158 1.00 0.00 C ATOM 1450 O ASP A 100 -0.828 26.335 14.327 1.00 0.00 O ATOM 1451 CB ASP A 100 -0.795 25.255 11.091 1.00 0.00 C ATOM 1452 CG ASP A 100 -0.041 24.219 10.252 1.00 0.00 C ATOM 1453 OD1 ASP A 100 0.731 23.468 10.824 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -0.250 24.195 9.050 1.00 0.00 O ATOM 0 H ASP A 100 0.112 24.100 13.502 1.00 0.00 H new ATOM 0 HA ASP A 100 0.905 26.396 11.751 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.686 24.804 11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -1.131 26.075 10.457 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.240 27.710 12.668 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.050 28.600 13.550 1.00 0.00 C ATOM 1461 C VAL A 101 -3.535 28.432 13.221 1.00 0.00 C ATOM 1462 O VAL A 101 -3.898 28.207 12.083 1.00 0.00 O ATOM 1463 CB VAL A 101 -1.615 30.069 13.342 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -2.663 31.051 13.885 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -0.291 30.306 14.070 1.00 0.00 C ATOM 0 H VAL A 101 -1.162 28.012 11.697 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.888 28.330 14.593 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.506 30.242 12.271 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.323 32.074 13.721 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.610 30.896 13.367 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.802 30.881 14.953 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.022 31.340 13.928 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.421 30.109 15.134 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.470 29.638 13.668 1.00 0.00 H new ATOM 1475 N PRO A 102 -4.350 28.555 14.239 1.00 0.00 N ATOM 1476 CA PRO A 102 -5.808 28.430 14.101 1.00 0.00 C ATOM 1477 C PRO A 102 -6.320 29.368 13.006 1.00 0.00 C ATOM 1478 O PRO A 102 -5.568 30.130 12.431 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.362 28.857 15.455 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.167 28.959 16.433 1.00 0.00 C ATOM 1481 CD PRO A 102 -3.884 28.832 15.610 1.00 0.00 C ATOM 0 HA PRO A 102 -6.111 27.420 13.826 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.875 29.815 15.375 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.093 28.133 15.816 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.188 29.910 16.965 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.219 28.172 17.185 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.294 29.748 15.651 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.251 28.028 15.984 1.00 0.00 H new ATOM 1489 N ASP A 103 -7.594 29.343 12.729 1.00 0.00 N ATOM 1490 CA ASP A 103 -8.138 30.263 11.693 1.00 0.00 C ATOM 1491 C ASP A 103 -8.196 31.668 12.286 1.00 0.00 C ATOM 1492 O ASP A 103 -8.183 32.661 11.586 1.00 0.00 O ATOM 1493 CB ASP A 103 -9.542 29.814 11.286 1.00 0.00 C ATOM 1494 CG ASP A 103 -9.873 30.364 9.898 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -9.072 31.122 9.376 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -10.923 30.019 9.381 1.00 0.00 O ATOM 0 H ASP A 103 -8.278 28.729 13.172 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.500 30.253 10.809 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.600 28.726 11.280 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.273 30.168 12.013 1.00 0.00 H new ATOM 1501 N ARG A 104 -8.233 31.742 13.584 1.00 0.00 N ATOM 1502 CA ARG A 104 -8.261 33.063 14.273 1.00 0.00 C ATOM 1503 C ARG A 104 -7.193 33.056 15.368 1.00 0.00 C ATOM 1504 O ARG A 104 -6.353 32.179 15.416 1.00 0.00 O ATOM 1505 CB ARG A 104 -9.641 33.322 14.899 1.00 0.00 C ATOM 1506 CG ARG A 104 -10.283 32.009 15.355 1.00 0.00 C ATOM 1507 CD ARG A 104 -11.541 31.748 14.526 1.00 0.00 C ATOM 1508 NE ARG A 104 -11.252 32.032 13.093 1.00 0.00 N ATOM 1509 CZ ARG A 104 -12.082 31.638 12.164 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -13.172 30.995 12.487 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -11.820 31.887 10.910 1.00 0.00 N ATOM 0 H ARG A 104 -8.245 30.934 14.207 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.063 33.854 13.550 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.540 33.997 15.749 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.288 33.816 14.174 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.578 31.186 15.237 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.536 32.063 16.414 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.862 30.713 14.646 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.359 32.378 14.876 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.403 32.536 12.836 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.377 30.799 13.467 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.818 30.689 11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.969 32.388 10.657 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.467 31.580 10.183 1.00 0.00 H new ATOM 1525 N GLN A 105 -7.212 34.015 16.251 1.00 0.00 N ATOM 1526 CA GLN A 105 -6.189 34.035 17.333 1.00 0.00 C ATOM 1527 C GLN A 105 -6.846 34.436 18.655 1.00 0.00 C ATOM 1528 O GLN A 105 -6.215 34.998 19.528 1.00 0.00 O ATOM 1529 CB GLN A 105 -5.092 35.042 16.981 1.00 0.00 C ATOM 1530 CG GLN A 105 -3.850 34.762 17.829 1.00 0.00 C ATOM 1531 CD GLN A 105 -3.155 33.500 17.314 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -2.992 33.325 16.123 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -2.734 32.607 18.168 1.00 0.00 N ATOM 0 H GLN A 105 -7.886 34.780 16.271 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.751 33.042 17.434 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.845 34.971 15.922 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.445 36.058 17.159 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.167 35.610 17.784 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.131 34.634 18.874 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.871 32.754 19.168 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.268 31.763 17.835 1.00 0.00 H new ATOM 1542 N TRP A 106 -8.110 34.149 18.812 1.00 0.00 N ATOM 1543 CA TRP A 106 -8.803 34.513 20.080 1.00 0.00 C ATOM 1544 C TRP A 106 -8.412 35.935 20.486 1.00 0.00 C ATOM 1545 O TRP A 106 -8.786 36.856 19.779 1.00 0.00 O ATOM 1546 CB TRP A 106 -8.392 33.536 21.183 1.00 0.00 C ATOM 1547 CG TRP A 106 -9.478 32.529 21.386 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -9.396 31.220 21.055 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -10.803 32.725 21.959 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -10.587 30.600 21.389 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -11.486 31.486 21.950 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -11.471 33.847 22.481 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -12.786 31.364 22.441 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -12.780 33.728 22.977 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -13.436 32.489 22.957 1.00 0.00 C ATOM 1556 OXT TRP A 106 -7.744 36.079 21.497 1.00 0.00 O ATOM 0 H TRP A 106 -8.691 33.679 18.118 1.00 0.00 H new ATOM 0 HA TRP A 106 -9.882 34.462 19.932 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -7.463 33.035 20.912 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -8.204 34.076 22.111 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.541 30.738 20.604 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -10.778 29.609 21.239 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -10.975 34.806 22.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -13.287 30.407 22.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -13.284 34.596 23.376 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -14.442 32.404 23.340 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -4.373 27.927 26.913 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -3.742 25.742 25.496 1.00 0.00 FE HETATM 1570 S1 FES A 107 -5.611 26.135 26.590 1.00 0.00 S HETATM 1571 S2 FES A 107 -2.529 27.555 25.778 1.00 0.00 S