USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 672 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 10 SER OG : rot -43:sc= 1.25 USER MOD Set 1.2: A 14 THR OG1 : rot -57:sc= 0.22! USER MOD Set 2.1: A 1 GLY N :NH3+ -136:sc= -13! (180deg=-15.1!) USER MOD Set 2.2: A 46 TYR OH : rot -15:sc= -5.75! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.324 USER MOD Single : A 12 CYS SG : rot -129:sc= -8.73! USER MOD Single : A 13 LYS NZ :NH3+ -110:sc= -5.06! (180deg=-8.49!) USER MOD Single : A 15 TYR OH : rot 99:sc= -7.22! USER MOD Single : A 16 CYS SG : rot -50:sc= 0.463! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 76:sc= 0.191 USER MOD Single : A 22 SER OG : rot 69:sc= 1.08 USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 0.672 (180deg=0.618) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0 (180deg=-8.17e-05) USER MOD Single : A 29 MET CE :methyl 124:sc= -7.18! (180deg=-7.89!) USER MOD Single : A 31 SER OG : rot 180:sc= -1.1 USER MOD Single : A 34 GLN : amide:sc= -4.44! C(o=-4.4!,f=-6.9!) USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= -0.0858 (180deg=-0.662) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -76:sc= -6.22! USER MOD Single : A 47 SER OG : rot 180:sc= -0.764 USER MOD Single : A 50 SER OG : rot -150:sc= -2.13 USER MOD Single : A 55 THR OG1 : rot -118:sc= -5.43! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.79! C(o=-2.8!,f=-5.1!) USER MOD Single : A 63 MET CE :methyl -158:sc= -0.0624 (180deg=-0.625) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 100:sc= -1.5! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.417 -9.411 10.761 1.00 0.00 N ATOM 2 CA GLY A 1 7.691 -8.588 11.927 1.00 0.00 C ATOM 3 C GLY A 1 6.816 -7.333 11.931 1.00 0.00 C ATOM 4 O GLY A 1 5.691 -7.355 11.434 1.00 0.00 O ATOM 0 H1 GLY A 1 7.356 -10.409 11.047 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.516 -9.117 10.333 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.183 -9.296 10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.510 -9.165 12.834 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.743 -8.302 11.936 1.00 0.00 H new ATOM 8 N GLU A 2 7.366 -6.269 12.497 1.00 0.00 N ATOM 9 CA GLU A 2 6.650 -5.007 12.571 1.00 0.00 C ATOM 10 C GLU A 2 6.905 -4.176 11.312 1.00 0.00 C ATOM 11 O GLU A 2 6.019 -3.462 10.845 1.00 0.00 O ATOM 12 CB GLU A 2 7.041 -4.228 13.829 1.00 0.00 C ATOM 13 CG GLU A 2 6.793 -5.061 15.089 1.00 0.00 C ATOM 14 CD GLU A 2 7.693 -4.600 16.237 1.00 0.00 C ATOM 15 OE1 GLU A 2 8.499 -5.391 16.749 1.00 0.00 O ATOM 16 OE2 GLU A 2 7.534 -3.371 16.595 1.00 0.00 O ATOM 0 H GLU A 2 8.299 -6.255 12.909 1.00 0.00 H new ATOM 0 HA GLU A 2 5.583 -5.221 12.631 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.093 -3.948 13.775 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.467 -3.303 13.881 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.747 -4.976 15.385 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.980 -6.114 14.876 1.00 0.00 H new ATOM 24 N ALA A 3 8.120 -4.298 10.797 1.00 0.00 N ATOM 25 CA ALA A 3 8.502 -3.568 9.600 1.00 0.00 C ATOM 26 C ALA A 3 7.686 -4.081 8.412 1.00 0.00 C ATOM 27 O ALA A 3 7.246 -3.298 7.572 1.00 0.00 O ATOM 28 CB ALA A 3 10.009 -3.708 9.376 1.00 0.00 C ATOM 0 H ALA A 3 8.852 -4.891 11.187 1.00 0.00 H new ATOM 0 HA ALA A 3 8.286 -2.506 9.713 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.296 -3.161 8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.544 -3.302 10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.263 -4.761 9.255 1.00 0.00 H new ATOM 34 N VAL A 4 7.508 -5.394 8.380 1.00 0.00 N ATOM 35 CA VAL A 4 6.752 -6.020 7.309 1.00 0.00 C ATOM 36 C VAL A 4 5.445 -5.255 7.097 1.00 0.00 C ATOM 37 O VAL A 4 5.111 -4.887 5.972 1.00 0.00 O ATOM 38 CB VAL A 4 6.534 -7.502 7.620 1.00 0.00 C ATOM 39 CG1 VAL A 4 7.482 -8.380 6.801 1.00 0.00 C ATOM 40 CG2 VAL A 4 6.689 -7.777 9.117 1.00 0.00 C ATOM 0 H VAL A 4 7.874 -6.041 9.078 1.00 0.00 H new ATOM 0 HA VAL A 4 7.309 -5.976 6.373 1.00 0.00 H new ATOM 0 HB VAL A 4 5.513 -7.756 7.336 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.306 -9.428 7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.303 -8.216 5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.514 -8.122 7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.529 -8.838 9.311 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.693 -7.497 9.436 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.956 -7.192 9.672 1.00 0.00 H new ATOM 50 N ILE A 5 4.739 -5.037 8.198 1.00 0.00 N ATOM 51 CA ILE A 5 3.475 -4.322 8.147 1.00 0.00 C ATOM 52 C ILE A 5 3.739 -2.820 8.273 1.00 0.00 C ATOM 53 O ILE A 5 3.147 -2.019 7.550 1.00 0.00 O ATOM 54 CB ILE A 5 2.509 -4.867 9.200 1.00 0.00 C ATOM 55 CG1 ILE A 5 2.706 -6.371 9.400 1.00 0.00 C ATOM 56 CG2 ILE A 5 1.061 -4.521 8.846 1.00 0.00 C ATOM 57 CD1 ILE A 5 3.724 -6.927 8.401 1.00 0.00 C ATOM 0 H ILE A 5 5.019 -5.343 9.130 1.00 0.00 H new ATOM 0 HA ILE A 5 2.985 -4.481 7.186 1.00 0.00 H new ATOM 0 HB ILE A 5 2.733 -4.384 10.151 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.046 -6.565 10.417 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.753 -6.886 9.279 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.394 -4.920 9.610 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.948 -3.438 8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.808 -4.958 7.880 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.846 -7.998 8.564 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.369 -6.753 7.385 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.682 -6.427 8.542 1.00 0.00 H new ATOM 69 N LYS A 6 4.628 -2.483 9.196 1.00 0.00 N ATOM 70 CA LYS A 6 4.977 -1.091 9.425 1.00 0.00 C ATOM 71 C LYS A 6 5.300 -0.423 8.087 1.00 0.00 C ATOM 72 O LYS A 6 4.964 0.741 7.874 1.00 0.00 O ATOM 73 CB LYS A 6 6.105 -0.984 10.454 1.00 0.00 C ATOM 74 CG LYS A 6 5.555 -1.049 11.880 1.00 0.00 C ATOM 75 CD LYS A 6 6.637 -0.695 12.902 1.00 0.00 C ATOM 76 CE LYS A 6 7.051 0.772 12.776 1.00 0.00 C ATOM 77 NZ LYS A 6 7.531 1.289 14.077 1.00 0.00 N ATOM 0 H LYS A 6 5.117 -3.149 9.794 1.00 0.00 H new ATOM 0 HA LYS A 6 4.132 -0.552 9.854 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.821 -1.791 10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.645 -0.048 10.311 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.715 -0.361 11.981 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.173 -2.050 12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.268 -0.887 13.909 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.506 -1.336 12.754 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.836 0.871 12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.205 1.366 12.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.808 2.286 13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.771 1.212 14.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.352 0.732 14.390 1.00 0.00 H new ATOM 90 N VAL A 7 5.947 -1.188 7.221 1.00 0.00 N ATOM 91 CA VAL A 7 6.319 -0.685 5.910 1.00 0.00 C ATOM 92 C VAL A 7 5.054 -0.443 5.084 1.00 0.00 C ATOM 93 O VAL A 7 4.795 0.680 4.655 1.00 0.00 O ATOM 94 CB VAL A 7 7.297 -1.651 5.236 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.562 -2.604 4.292 1.00 0.00 C ATOM 96 CG2 VAL A 7 8.399 -0.889 4.498 1.00 0.00 C ATOM 0 H VAL A 7 6.223 -2.153 7.402 1.00 0.00 H new ATOM 0 HA VAL A 7 6.837 0.270 6.000 1.00 0.00 H new ATOM 0 HB VAL A 7 7.769 -2.249 6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.279 -3.280 3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.831 -3.183 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.051 -2.029 3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.080 -1.599 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.952 -0.254 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.951 -0.271 5.206 1.00 0.00 H new ATOM 106 N ILE A 8 4.300 -1.514 4.886 1.00 0.00 N ATOM 107 CA ILE A 8 3.069 -1.432 4.120 1.00 0.00 C ATOM 108 C ILE A 8 2.203 -0.299 4.674 1.00 0.00 C ATOM 109 O ILE A 8 1.595 0.452 3.913 1.00 0.00 O ATOM 110 CB ILE A 8 2.363 -2.789 4.093 1.00 0.00 C ATOM 111 CG1 ILE A 8 2.609 -3.509 2.765 1.00 0.00 C ATOM 112 CG2 ILE A 8 0.870 -2.637 4.394 1.00 0.00 C ATOM 113 CD1 ILE A 8 2.299 -2.594 1.579 1.00 0.00 C ATOM 0 H ILE A 8 4.518 -2.444 5.243 1.00 0.00 H new ATOM 0 HA ILE A 8 3.284 -1.190 3.079 1.00 0.00 H new ATOM 0 HB ILE A 8 2.789 -3.411 4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.647 -3.839 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.987 -4.403 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.392 -3.616 4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.741 -2.196 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.412 -1.990 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.482 -3.130 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.254 -2.286 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.939 -1.713 1.622 1.00 0.00 H new ATOM 125 N SER A 9 2.174 -0.212 5.996 1.00 0.00 N ATOM 126 CA SER A 9 1.392 0.816 6.661 1.00 0.00 C ATOM 127 C SER A 9 2.030 2.188 6.434 1.00 0.00 C ATOM 128 O SER A 9 1.464 3.033 5.742 1.00 0.00 O ATOM 129 CB SER A 9 1.268 0.531 8.159 1.00 0.00 C ATOM 130 OG SER A 9 1.468 1.703 8.945 1.00 0.00 O ATOM 0 H SER A 9 2.680 -0.837 6.624 1.00 0.00 H new ATOM 0 HA SER A 9 0.389 0.813 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.281 0.118 8.369 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.998 -0.226 8.445 1.00 0.00 H new ATOM 0 HG SER A 9 1.379 1.479 9.895 1.00 0.00 H new ATOM 136 N SER A 10 3.201 2.367 7.028 1.00 0.00 N ATOM 137 CA SER A 10 3.922 3.622 6.899 1.00 0.00 C ATOM 138 C SER A 10 4.152 3.943 5.421 1.00 0.00 C ATOM 139 O SER A 10 3.876 5.054 4.973 1.00 0.00 O ATOM 140 CB SER A 10 5.257 3.569 7.645 1.00 0.00 C ATOM 141 OG SER A 10 5.505 4.764 8.380 1.00 0.00 O ATOM 0 H SER A 10 3.668 1.664 7.600 1.00 0.00 H new ATOM 0 HA SER A 10 3.318 4.412 7.346 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.258 2.718 8.326 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.065 3.408 6.931 1.00 0.00 H new ATOM 0 HG SER A 10 5.262 5.540 7.834 1.00 0.00 H new ATOM 147 N ALA A 11 4.657 2.949 4.704 1.00 0.00 N ATOM 148 CA ALA A 11 4.928 3.112 3.286 1.00 0.00 C ATOM 149 C ALA A 11 3.670 3.632 2.587 1.00 0.00 C ATOM 150 O ALA A 11 3.685 4.711 1.996 1.00 0.00 O ATOM 151 CB ALA A 11 5.411 1.783 2.702 1.00 0.00 C ATOM 0 H ALA A 11 4.885 2.028 5.079 1.00 0.00 H new ATOM 0 HA ALA A 11 5.720 3.844 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.614 1.906 1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.322 1.471 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.641 1.024 2.839 1.00 0.00 H new ATOM 157 N CYS A 12 2.611 2.841 2.678 1.00 0.00 N ATOM 158 CA CYS A 12 1.347 3.209 2.062 1.00 0.00 C ATOM 159 C CYS A 12 1.220 4.733 2.098 1.00 0.00 C ATOM 160 O CYS A 12 0.945 5.361 1.077 1.00 0.00 O ATOM 161 CB CYS A 12 0.164 2.521 2.746 1.00 0.00 C ATOM 162 SG CYS A 12 -1.410 3.146 2.051 1.00 0.00 S ATOM 0 H CYS A 12 2.602 1.947 3.169 1.00 0.00 H new ATOM 0 HA CYS A 12 1.332 2.869 1.026 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.230 1.442 2.606 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.196 2.706 3.820 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.199 3.506 3.019 1.00 0.00 H new ATOM 168 N LYS A 13 1.427 5.284 3.285 1.00 0.00 N ATOM 169 CA LYS A 13 1.339 6.723 3.467 1.00 0.00 C ATOM 170 C LYS A 13 2.744 7.327 3.410 1.00 0.00 C ATOM 171 O LYS A 13 3.037 8.144 2.538 1.00 0.00 O ATOM 172 CB LYS A 13 0.579 7.055 4.753 1.00 0.00 C ATOM 173 CG LYS A 13 -0.410 8.200 4.526 1.00 0.00 C ATOM 174 CD LYS A 13 0.317 9.474 4.091 1.00 0.00 C ATOM 175 CE LYS A 13 -0.426 10.165 2.946 1.00 0.00 C ATOM 176 NZ LYS A 13 0.214 11.459 2.619 1.00 0.00 N ATOM 0 H LYS A 13 1.655 4.760 4.130 1.00 0.00 H new ATOM 0 HA LYS A 13 0.764 7.175 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.044 6.172 5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.285 7.330 5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.136 7.913 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.968 8.390 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.402 10.155 4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.331 9.229 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.429 9.522 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.467 10.328 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.409 12.238 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.122 11.534 3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.380 11.515 1.594 1.00 0.00 H new ATOM 189 N THR A 14 3.575 6.901 4.350 1.00 0.00 N ATOM 190 CA THR A 14 4.942 7.389 4.417 1.00 0.00 C ATOM 191 C THR A 14 5.616 7.277 3.048 1.00 0.00 C ATOM 192 O THR A 14 6.396 8.147 2.663 1.00 0.00 O ATOM 193 CB THR A 14 5.668 6.613 5.517 1.00 0.00 C ATOM 194 OG1 THR A 14 4.732 6.575 6.591 1.00 0.00 O ATOM 195 CG2 THR A 14 6.860 7.383 6.089 1.00 0.00 C ATOM 0 H THR A 14 3.328 6.223 5.071 1.00 0.00 H new ATOM 0 HA THR A 14 4.972 8.448 4.673 1.00 0.00 H new ATOM 0 HB THR A 14 6.010 5.657 5.120 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.477 7.489 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.339 6.787 6.866 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.577 7.587 5.294 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.514 8.324 6.516 1.00 0.00 H new ATOM 203 N TYR A 15 5.291 6.198 2.351 1.00 0.00 N ATOM 204 CA TYR A 15 5.856 5.961 1.033 1.00 0.00 C ATOM 205 C TYR A 15 5.522 7.110 0.079 1.00 0.00 C ATOM 206 O TYR A 15 6.389 7.917 -0.254 1.00 0.00 O ATOM 207 CB TYR A 15 5.199 4.679 0.518 1.00 0.00 C ATOM 208 CG TYR A 15 6.067 3.886 -0.462 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.104 4.509 -1.125 1.00 0.00 C ATOM 210 CD2 TYR A 15 5.812 2.548 -0.682 1.00 0.00 C ATOM 211 CE1 TYR A 15 7.921 3.763 -2.047 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.628 1.801 -1.604 1.00 0.00 C ATOM 213 CZ TYR A 15 7.642 2.446 -2.241 1.00 0.00 C ATOM 214 OH TYR A 15 8.414 1.741 -3.112 1.00 0.00 O ATOM 0 H TYR A 15 4.644 5.478 2.674 1.00 0.00 H new ATOM 0 HA TYR A 15 6.942 5.882 1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.953 4.042 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.259 4.935 0.030 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.303 5.556 -0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.000 2.061 -0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.736 4.238 -2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.439 0.753 -1.785 1.00 0.00 H new ATOM 0 HH TYR A 15 9.088 1.233 -2.614 1.00 0.00 H new ATOM 224 N CYS A 16 4.264 7.147 -0.335 1.00 0.00 N ATOM 225 CA CYS A 16 3.806 8.183 -1.244 1.00 0.00 C ATOM 226 C CYS A 16 2.907 9.144 -0.464 1.00 0.00 C ATOM 227 O CYS A 16 1.826 9.503 -0.927 1.00 0.00 O ATOM 228 CB CYS A 16 3.089 7.592 -2.460 1.00 0.00 C ATOM 229 SG CYS A 16 2.345 8.932 -3.461 1.00 0.00 S ATOM 0 H CYS A 16 3.548 6.476 -0.057 1.00 0.00 H new ATOM 0 HA CYS A 16 4.663 8.728 -1.639 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.793 7.022 -3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.315 6.898 -2.134 1.00 0.00 H new ATOM 0 HG CYS A 16 1.644 9.711 -2.691 1.00 0.00 H new ATOM 235 N GLY A 17 3.388 9.533 0.708 1.00 0.00 N ATOM 236 CA GLY A 17 2.641 10.445 1.557 1.00 0.00 C ATOM 237 C GLY A 17 3.525 11.000 2.676 1.00 0.00 C ATOM 238 O GLY A 17 3.261 12.079 3.204 1.00 0.00 O ATOM 0 H GLY A 17 4.285 9.233 1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.248 11.266 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.784 9.927 1.988 1.00 0.00 H new ATOM 242 N LYS A 18 4.557 10.237 3.005 1.00 0.00 N ATOM 243 CA LYS A 18 5.482 10.639 4.051 1.00 0.00 C ATOM 244 C LYS A 18 4.736 10.709 5.385 1.00 0.00 C ATOM 245 O LYS A 18 4.889 9.831 6.233 1.00 0.00 O ATOM 246 CB LYS A 18 6.187 11.942 3.672 1.00 0.00 C ATOM 247 CG LYS A 18 7.604 11.987 4.249 1.00 0.00 C ATOM 248 CD LYS A 18 7.875 13.330 4.931 1.00 0.00 C ATOM 249 CE LYS A 18 9.153 13.972 4.388 1.00 0.00 C ATOM 250 NZ LYS A 18 10.262 13.817 5.355 1.00 0.00 N ATOM 0 H LYS A 18 4.773 9.342 2.565 1.00 0.00 H new ATOM 0 HA LYS A 18 6.273 9.898 4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.229 12.034 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.613 12.791 4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.734 11.177 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.330 11.826 3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.031 14.000 4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.966 13.184 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.424 13.511 3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.980 15.030 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.122 14.258 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.007 14.278 6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.437 12.806 5.523 1.00 0.00 H new ATOM 263 N THR A 19 3.945 11.762 5.530 1.00 0.00 N ATOM 264 CA THR A 19 3.175 11.958 6.747 1.00 0.00 C ATOM 265 C THR A 19 1.805 12.555 6.420 1.00 0.00 C ATOM 266 O THR A 19 0.790 12.122 6.963 1.00 0.00 O ATOM 267 CB THR A 19 4.005 12.825 7.696 1.00 0.00 C ATOM 268 OG1 THR A 19 3.586 12.414 8.995 1.00 0.00 O ATOM 269 CG2 THR A 19 3.617 14.303 7.630 1.00 0.00 C ATOM 0 H THR A 19 3.821 12.489 4.825 1.00 0.00 H new ATOM 0 HA THR A 19 2.971 11.010 7.244 1.00 0.00 H new ATOM 0 HB THR A 19 5.063 12.717 7.455 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.075 12.925 9.673 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.236 14.873 8.323 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.770 14.674 6.617 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.568 14.416 7.904 1.00 0.00 H new ATOM 277 N SER A 20 1.820 13.540 5.534 1.00 0.00 N ATOM 278 CA SER A 20 0.591 14.201 5.129 1.00 0.00 C ATOM 279 C SER A 20 -0.608 13.292 5.406 1.00 0.00 C ATOM 280 O SER A 20 -0.946 12.438 4.587 1.00 0.00 O ATOM 281 CB SER A 20 0.635 14.586 3.649 1.00 0.00 C ATOM 282 OG SER A 20 1.951 14.933 3.226 1.00 0.00 O ATOM 0 H SER A 20 2.664 13.896 5.085 1.00 0.00 H new ATOM 0 HA SER A 20 0.487 15.116 5.712 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.268 13.754 3.047 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.036 15.427 3.473 1.00 0.00 H new ATOM 0 HG SER A 20 2.487 14.119 3.124 1.00 0.00 H new ATOM 288 N PRO A 21 -1.234 13.511 6.593 1.00 0.00 N ATOM 289 CA PRO A 21 -2.388 12.722 6.988 1.00 0.00 C ATOM 290 C PRO A 21 -3.636 13.148 6.211 1.00 0.00 C ATOM 291 O PRO A 21 -3.573 14.047 5.375 1.00 0.00 O ATOM 292 CB PRO A 21 -2.519 12.938 8.486 1.00 0.00 C ATOM 293 CG PRO A 21 -1.726 14.197 8.796 1.00 0.00 C ATOM 294 CD PRO A 21 -0.862 14.514 7.587 1.00 0.00 C ATOM 0 HA PRO A 21 -2.270 11.662 6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.564 13.054 8.774 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.128 12.084 9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.398 15.027 9.013 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.106 14.049 9.680 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.049 15.523 7.220 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.199 14.455 7.832 1.00 0.00 H new ATOM 302 N SER A 22 -4.740 12.482 6.516 1.00 0.00 N ATOM 303 CA SER A 22 -6.000 12.780 5.857 1.00 0.00 C ATOM 304 C SER A 22 -6.974 11.615 6.039 1.00 0.00 C ATOM 305 O SER A 22 -7.984 11.747 6.728 1.00 0.00 O ATOM 306 CB SER A 22 -5.789 13.068 4.369 1.00 0.00 C ATOM 307 OG SER A 22 -5.733 14.466 4.099 1.00 0.00 O ATOM 0 H SER A 22 -4.788 11.737 7.211 1.00 0.00 H new ATOM 0 HA SER A 22 -6.423 13.674 6.316 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.864 12.597 4.036 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.600 12.620 3.794 1.00 0.00 H new ATOM 0 HG SER A 22 -4.908 14.839 4.474 1.00 0.00 H new ATOM 313 N LYS A 23 -6.637 10.499 5.409 1.00 0.00 N ATOM 314 CA LYS A 23 -7.469 9.311 5.493 1.00 0.00 C ATOM 315 C LYS A 23 -7.135 8.376 4.328 1.00 0.00 C ATOM 316 O LYS A 23 -6.513 8.792 3.352 1.00 0.00 O ATOM 317 CB LYS A 23 -8.948 9.697 5.566 1.00 0.00 C ATOM 318 CG LYS A 23 -9.457 9.648 7.008 1.00 0.00 C ATOM 319 CD LYS A 23 -10.528 10.713 7.248 1.00 0.00 C ATOM 320 CE LYS A 23 -10.351 11.370 8.618 1.00 0.00 C ATOM 321 NZ LYS A 23 -9.961 12.790 8.466 1.00 0.00 N ATOM 0 H LYS A 23 -5.799 10.393 4.838 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.260 8.764 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.086 10.700 5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.535 9.020 4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.867 8.661 7.219 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.626 9.802 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.473 11.472 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.517 10.260 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.280 11.301 9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.590 10.837 9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.714 13.184 9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.140 12.858 7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.755 13.327 8.063 1.00 0.00 H new ATOM 334 N LYS A 24 -7.563 7.130 4.470 1.00 0.00 N ATOM 335 CA LYS A 24 -7.317 6.133 3.442 1.00 0.00 C ATOM 336 C LYS A 24 -5.830 5.773 3.433 1.00 0.00 C ATOM 337 O LYS A 24 -5.378 5.007 2.583 1.00 0.00 O ATOM 338 CB LYS A 24 -7.841 6.618 2.089 1.00 0.00 C ATOM 339 CG LYS A 24 -9.283 6.160 1.864 1.00 0.00 C ATOM 340 CD LYS A 24 -10.208 7.356 1.628 1.00 0.00 C ATOM 341 CE LYS A 24 -11.405 7.319 2.580 1.00 0.00 C ATOM 342 NZ LYS A 24 -11.829 8.693 2.933 1.00 0.00 N ATOM 0 H LYS A 24 -8.078 6.788 5.281 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.866 5.217 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.790 7.706 2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.205 6.236 1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.325 5.488 1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.628 5.594 2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.653 8.283 1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.559 7.351 0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.233 6.785 2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.142 6.770 3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.632 8.650 3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.037 9.196 3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.116 9.200 2.071 1.00 0.00 H new ATOM 355 N GLU A 25 -5.110 6.342 4.389 1.00 0.00 N ATOM 356 CA GLU A 25 -3.683 6.091 4.501 1.00 0.00 C ATOM 357 C GLU A 25 -3.433 4.671 5.014 1.00 0.00 C ATOM 358 O GLU A 25 -3.383 3.724 4.231 1.00 0.00 O ATOM 359 CB GLU A 25 -3.013 7.127 5.406 1.00 0.00 C ATOM 360 CG GLU A 25 -3.906 7.470 6.600 1.00 0.00 C ATOM 361 CD GLU A 25 -3.080 7.609 7.881 1.00 0.00 C ATOM 362 OE1 GLU A 25 -1.843 7.665 7.817 1.00 0.00 O ATOM 363 OE2 GLU A 25 -3.768 7.659 8.971 1.00 0.00 O ATOM 0 H GLU A 25 -5.488 6.976 5.093 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.239 6.182 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.057 6.741 5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.800 8.031 4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.439 8.400 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.659 6.692 6.731 1.00 0.00 H new ATOM 371 N ILE A 26 -3.284 4.568 6.327 1.00 0.00 N ATOM 372 CA ILE A 26 -3.041 3.280 6.954 1.00 0.00 C ATOM 373 C ILE A 26 -4.082 2.274 6.462 1.00 0.00 C ATOM 374 O ILE A 26 -3.785 1.089 6.316 1.00 0.00 O ATOM 375 CB ILE A 26 -2.997 3.425 8.476 1.00 0.00 C ATOM 376 CG1 ILE A 26 -1.912 4.417 8.902 1.00 0.00 C ATOM 377 CG2 ILE A 26 -2.826 2.063 9.152 1.00 0.00 C ATOM 378 CD1 ILE A 26 -2.280 5.100 10.220 1.00 0.00 C ATOM 0 H ILE A 26 -3.327 5.356 6.974 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.063 2.894 6.665 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.952 3.831 8.808 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.961 3.896 9.012 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.776 5.169 8.124 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.798 2.195 10.234 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.663 1.417 8.887 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.895 1.605 8.818 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.492 5.800 10.500 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.219 5.640 10.100 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.391 4.348 11.001 1.00 0.00 H new ATOM 390 N GLY A 27 -5.281 2.782 6.219 1.00 0.00 N ATOM 391 CA GLY A 27 -6.369 1.942 5.746 1.00 0.00 C ATOM 392 C GLY A 27 -5.932 1.107 4.541 1.00 0.00 C ATOM 393 O GLY A 27 -6.048 -0.118 4.555 1.00 0.00 O ATOM 0 H GLY A 27 -5.524 3.765 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.700 1.283 6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.221 2.564 5.472 1.00 0.00 H new ATOM 397 N ALA A 28 -5.439 1.802 3.526 1.00 0.00 N ATOM 398 CA ALA A 28 -4.984 1.140 2.316 1.00 0.00 C ATOM 399 C ALA A 28 -4.008 0.022 2.687 1.00 0.00 C ATOM 400 O ALA A 28 -4.216 -1.135 2.323 1.00 0.00 O ATOM 401 CB ALA A 28 -4.359 2.171 1.374 1.00 0.00 C ATOM 0 H ALA A 28 -5.345 2.818 3.517 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.823 0.684 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.017 1.674 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.102 2.926 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.512 2.648 1.867 1.00 0.00 H new ATOM 407 N MET A 29 -2.965 0.406 3.407 1.00 0.00 N ATOM 408 CA MET A 29 -1.956 -0.550 3.832 1.00 0.00 C ATOM 409 C MET A 29 -2.585 -1.909 4.144 1.00 0.00 C ATOM 410 O MET A 29 -2.024 -2.950 3.806 1.00 0.00 O ATOM 411 CB MET A 29 -1.242 -0.020 5.077 1.00 0.00 C ATOM 412 CG MET A 29 -0.949 -1.151 6.064 1.00 0.00 C ATOM 413 SD MET A 29 -2.006 -1.003 7.494 1.00 0.00 S ATOM 414 CE MET A 29 -1.055 -1.936 8.682 1.00 0.00 C ATOM 0 H MET A 29 -2.796 1.366 3.707 1.00 0.00 H new ATOM 0 HA MET A 29 -1.241 -0.680 3.020 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.310 0.465 4.787 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.859 0.738 5.560 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.108 -2.116 5.582 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.097 -1.116 6.369 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.851 -1.314 9.554 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.619 -2.817 8.989 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.113 -2.248 8.230 1.00 0.00 H new ATOM 424 N LEU A 30 -3.743 -1.856 4.786 1.00 0.00 N ATOM 425 CA LEU A 30 -4.455 -3.070 5.148 1.00 0.00 C ATOM 426 C LEU A 30 -5.460 -3.414 4.046 1.00 0.00 C ATOM 427 O LEU A 30 -5.242 -4.345 3.272 1.00 0.00 O ATOM 428 CB LEU A 30 -5.087 -2.928 6.534 1.00 0.00 C ATOM 429 CG LEU A 30 -4.713 -4.003 7.555 1.00 0.00 C ATOM 430 CD1 LEU A 30 -3.221 -4.335 7.480 1.00 0.00 C ATOM 431 CD2 LEU A 30 -5.137 -3.591 8.966 1.00 0.00 C ATOM 0 H LEU A 30 -4.206 -0.991 5.065 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.763 -3.909 5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.808 -1.956 6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.171 -2.926 6.419 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.259 -4.913 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.981 -5.102 8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.980 -4.702 6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.638 -3.438 7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.859 -4.373 9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.638 -2.661 9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.217 -3.444 8.993 1.00 0.00 H new ATOM 443 N SER A 31 -6.538 -2.645 4.011 1.00 0.00 N ATOM 444 CA SER A 31 -7.576 -2.857 3.017 1.00 0.00 C ATOM 445 C SER A 31 -6.956 -2.933 1.620 1.00 0.00 C ATOM 446 O SER A 31 -7.473 -3.626 0.745 1.00 0.00 O ATOM 447 CB SER A 31 -8.626 -1.746 3.072 1.00 0.00 C ATOM 448 OG SER A 31 -9.910 -2.242 3.440 1.00 0.00 O ATOM 0 H SER A 31 -6.715 -1.874 4.655 1.00 0.00 H new ATOM 0 HA SER A 31 -8.073 -3.801 3.238 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.312 -0.986 3.788 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.691 -1.260 2.099 1.00 0.00 H new ATOM 0 HG SER A 31 -10.552 -1.502 3.465 1.00 0.00 H new ATOM 454 N LEU A 32 -5.858 -2.211 1.455 1.00 0.00 N ATOM 455 CA LEU A 32 -5.162 -2.188 0.180 1.00 0.00 C ATOM 456 C LEU A 32 -4.457 -3.529 -0.036 1.00 0.00 C ATOM 457 O LEU A 32 -4.799 -4.273 -0.953 1.00 0.00 O ATOM 458 CB LEU A 32 -4.225 -0.981 0.102 1.00 0.00 C ATOM 459 CG LEU A 32 -3.977 -0.413 -1.297 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.438 -1.394 -2.376 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.629 0.961 -1.454 1.00 0.00 C ATOM 0 H LEU A 32 -5.433 -1.637 2.183 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.871 -2.065 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.634 -0.188 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.265 -1.263 0.533 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.903 -0.276 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.251 -0.966 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.888 -2.330 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.505 -1.586 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.438 1.342 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.704 0.873 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.211 1.648 -0.719 1.00 0.00 H new ATOM 473 N LEU A 33 -3.486 -3.795 0.825 1.00 0.00 N ATOM 474 CA LEU A 33 -2.730 -5.033 0.740 1.00 0.00 C ATOM 475 C LEU A 33 -3.592 -6.189 1.252 1.00 0.00 C ATOM 476 O LEU A 33 -3.693 -7.228 0.602 1.00 0.00 O ATOM 477 CB LEU A 33 -1.391 -4.895 1.468 1.00 0.00 C ATOM 478 CG LEU A 33 -0.338 -4.027 0.777 1.00 0.00 C ATOM 479 CD1 LEU A 33 0.378 -4.809 -0.326 1.00 0.00 C ATOM 480 CD2 LEU A 33 -0.955 -2.729 0.252 1.00 0.00 C ATOM 0 H LEU A 33 -3.205 -3.175 1.585 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.481 -5.256 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.580 -4.482 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.974 -5.892 1.612 1.00 0.00 H new ATOM 0 HG LEU A 33 0.414 -3.749 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.121 -4.169 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.871 -5.679 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.348 -5.136 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.185 -2.131 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.740 -2.964 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.381 -2.166 1.083 1.00 0.00 H new ATOM 492 N GLN A 34 -4.192 -5.968 2.413 1.00 0.00 N ATOM 493 CA GLN A 34 -5.042 -6.978 3.020 1.00 0.00 C ATOM 494 C GLN A 34 -6.337 -7.132 2.220 1.00 0.00 C ATOM 495 O GLN A 34 -7.213 -7.910 2.594 1.00 0.00 O ATOM 496 CB GLN A 34 -5.338 -6.639 4.482 1.00 0.00 C ATOM 497 CG GLN A 34 -4.394 -7.391 5.422 1.00 0.00 C ATOM 498 CD GLN A 34 -5.006 -7.534 6.816 1.00 0.00 C ATOM 499 OE1 GLN A 34 -6.209 -7.451 7.006 1.00 0.00 O ATOM 500 NE2 GLN A 34 -4.115 -7.753 7.779 1.00 0.00 N ATOM 0 H GLN A 34 -4.106 -5.104 2.949 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.511 -7.930 3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.233 -5.565 4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.371 -6.896 4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.178 -8.378 5.013 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.445 -6.860 5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.122 -7.811 7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.424 -7.863 8.745 1.00 0.00 H new ATOM 509 N LYS A 35 -6.417 -6.378 1.133 1.00 0.00 N ATOM 510 CA LYS A 35 -7.590 -6.421 0.277 1.00 0.00 C ATOM 511 C LYS A 35 -7.149 -6.391 -1.187 1.00 0.00 C ATOM 512 O LYS A 35 -7.897 -5.944 -2.056 1.00 0.00 O ATOM 513 CB LYS A 35 -8.566 -5.303 0.649 1.00 0.00 C ATOM 514 CG LYS A 35 -9.994 -5.838 0.767 1.00 0.00 C ATOM 515 CD LYS A 35 -11.018 -4.743 0.459 1.00 0.00 C ATOM 516 CE LYS A 35 -11.721 -4.276 1.735 1.00 0.00 C ATOM 517 NZ LYS A 35 -12.492 -5.386 2.338 1.00 0.00 N ATOM 0 H LYS A 35 -5.688 -5.734 0.826 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.137 -7.352 0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.264 -4.851 1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.529 -4.518 -0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.131 -6.673 0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.160 -6.223 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.520 -3.898 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.756 -5.119 -0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.984 -3.907 2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.388 -3.444 1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.335 -5.005 2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.785 -6.050 1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.899 -5.884 3.032 1.00 0.00 H new ATOM 530 N GLU A 36 -5.936 -6.873 -1.417 1.00 0.00 N ATOM 531 CA GLU A 36 -5.386 -6.906 -2.762 1.00 0.00 C ATOM 532 C GLU A 36 -4.610 -8.206 -2.985 1.00 0.00 C ATOM 533 O GLU A 36 -3.978 -8.384 -4.025 1.00 0.00 O ATOM 534 CB GLU A 36 -4.501 -5.687 -3.023 1.00 0.00 C ATOM 535 CG GLU A 36 -5.341 -4.478 -3.442 1.00 0.00 C ATOM 536 CD GLU A 36 -6.575 -4.917 -4.232 1.00 0.00 C ATOM 537 OE1 GLU A 36 -7.702 -4.529 -3.888 1.00 0.00 O ATOM 538 OE2 GLU A 36 -6.334 -5.687 -5.238 1.00 0.00 O ATOM 0 H GLU A 36 -5.319 -7.244 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.212 -6.872 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.934 -5.446 -2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.777 -5.919 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.650 -3.921 -2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.737 -3.803 -4.049 1.00 0.00 H new ATOM 546 N GLY A 37 -4.683 -9.080 -1.992 1.00 0.00 N ATOM 547 CA GLY A 37 -3.995 -10.357 -2.068 1.00 0.00 C ATOM 548 C GLY A 37 -2.793 -10.389 -1.122 1.00 0.00 C ATOM 549 O GLY A 37 -1.763 -10.982 -1.440 1.00 0.00 O ATOM 0 H GLY A 37 -5.208 -8.929 -1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.685 -11.162 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.662 -10.535 -3.091 1.00 0.00 H new ATOM 553 N LEU A 38 -2.964 -9.744 0.023 1.00 0.00 N ATOM 554 CA LEU A 38 -1.906 -9.691 1.017 1.00 0.00 C ATOM 555 C LEU A 38 -2.519 -9.802 2.415 1.00 0.00 C ATOM 556 O LEU A 38 -2.132 -9.072 3.326 1.00 0.00 O ATOM 557 CB LEU A 38 -1.048 -8.439 0.820 1.00 0.00 C ATOM 558 CG LEU A 38 -0.419 -8.268 -0.564 1.00 0.00 C ATOM 559 CD1 LEU A 38 -1.367 -7.527 -1.509 1.00 0.00 C ATOM 560 CD2 LEU A 38 0.945 -7.582 -0.466 1.00 0.00 C ATOM 0 H LEU A 38 -3.820 -9.254 0.284 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.228 -10.536 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.664 -7.564 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.249 -8.450 1.561 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.251 -9.258 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.896 -7.419 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.293 -8.093 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.589 -6.541 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.370 -7.473 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.826 -6.598 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.613 -8.186 0.149 1.00 0.00 H new ATOM 572 N LEU A 39 -3.464 -10.722 2.539 1.00 0.00 N ATOM 573 CA LEU A 39 -4.135 -10.939 3.810 1.00 0.00 C ATOM 574 C LEU A 39 -3.758 -12.319 4.352 1.00 0.00 C ATOM 575 O LEU A 39 -4.339 -12.786 5.330 1.00 0.00 O ATOM 576 CB LEU A 39 -5.643 -10.726 3.664 1.00 0.00 C ATOM 577 CG LEU A 39 -6.314 -9.905 4.767 1.00 0.00 C ATOM 578 CD1 LEU A 39 -7.836 -10.051 4.709 1.00 0.00 C ATOM 579 CD2 LEU A 39 -5.755 -10.274 6.142 1.00 0.00 C ATOM 0 H LEU A 39 -3.781 -11.326 1.781 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.803 -10.206 4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.830 -10.236 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.125 -11.702 3.621 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.084 -8.853 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.289 -9.458 5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.199 -9.701 3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.106 -11.099 4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.249 -9.676 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.934 -11.332 6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.683 -10.078 6.164 1.00 0.00 H new ATOM 591 N MET A 40 -2.788 -12.934 3.691 1.00 0.00 N ATOM 592 CA MET A 40 -2.327 -14.252 4.094 1.00 0.00 C ATOM 593 C MET A 40 -0.938 -14.176 4.732 1.00 0.00 C ATOM 594 O MET A 40 -0.290 -15.200 4.941 1.00 0.00 O ATOM 595 CB MET A 40 -2.279 -15.172 2.872 1.00 0.00 C ATOM 596 CG MET A 40 -1.715 -16.545 3.242 1.00 0.00 C ATOM 597 SD MET A 40 -2.632 -17.827 2.403 1.00 0.00 S ATOM 598 CE MET A 40 -2.734 -19.040 3.709 1.00 0.00 C ATOM 0 H MET A 40 -2.309 -12.544 2.879 1.00 0.00 H new ATOM 0 HA MET A 40 -3.023 -14.650 4.832 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.281 -15.286 2.458 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.663 -14.719 2.095 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.662 -16.601 2.968 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.772 -16.692 4.321 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.280 -19.913 3.353 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.729 -19.338 4.008 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.255 -18.610 4.565 1.00 0.00 H new ATOM 608 N SER A 41 -0.522 -12.952 5.023 1.00 0.00 N ATOM 609 CA SER A 41 0.778 -12.729 5.632 1.00 0.00 C ATOM 610 C SER A 41 1.322 -11.361 5.218 1.00 0.00 C ATOM 611 O SER A 41 1.759 -11.180 4.083 1.00 0.00 O ATOM 612 CB SER A 41 1.765 -13.832 5.244 1.00 0.00 C ATOM 613 OG SER A 41 3.118 -13.401 5.356 1.00 0.00 O ATOM 0 H SER A 41 -1.062 -12.105 4.848 1.00 0.00 H new ATOM 0 HA SER A 41 0.656 -12.752 6.715 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.607 -14.701 5.883 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.569 -14.150 4.220 1.00 0.00 H new ATOM 0 HG SER A 41 3.717 -14.134 5.101 1.00 0.00 H new ATOM 619 N PRO A 42 1.277 -10.407 6.187 1.00 0.00 N ATOM 620 CA PRO A 42 1.760 -9.060 5.934 1.00 0.00 C ATOM 621 C PRO A 42 3.290 -9.020 5.918 1.00 0.00 C ATOM 622 O PRO A 42 3.884 -8.000 5.573 1.00 0.00 O ATOM 623 CB PRO A 42 1.156 -8.211 7.041 1.00 0.00 C ATOM 624 CG PRO A 42 0.739 -9.184 8.132 1.00 0.00 C ATOM 625 CD PRO A 42 0.767 -10.585 7.543 1.00 0.00 C ATOM 0 HA PRO A 42 1.464 -8.684 4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.880 -7.488 7.418 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.300 -7.644 6.675 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.415 -9.115 8.984 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.259 -8.943 8.497 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.410 -11.246 8.124 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.227 -11.032 7.537 1.00 0.00 H new ATOM 633 N SER A 43 3.883 -10.143 6.296 1.00 0.00 N ATOM 634 CA SER A 43 5.332 -10.249 6.329 1.00 0.00 C ATOM 635 C SER A 43 5.892 -10.211 4.906 1.00 0.00 C ATOM 636 O SER A 43 7.101 -10.091 4.714 1.00 0.00 O ATOM 637 CB SER A 43 5.774 -11.531 7.039 1.00 0.00 C ATOM 638 OG SER A 43 6.853 -11.297 7.940 1.00 0.00 O ATOM 0 H SER A 43 3.387 -10.987 6.582 1.00 0.00 H new ATOM 0 HA SER A 43 5.724 -9.401 6.890 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.930 -11.952 7.585 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.075 -12.271 6.297 1.00 0.00 H new ATOM 0 HG SER A 43 7.684 -11.184 7.433 1.00 0.00 H new ATOM 644 N ASP A 44 4.986 -10.314 3.945 1.00 0.00 N ATOM 645 CA ASP A 44 5.375 -10.292 2.545 1.00 0.00 C ATOM 646 C ASP A 44 6.543 -9.321 2.360 1.00 0.00 C ATOM 647 O ASP A 44 7.406 -9.537 1.510 1.00 0.00 O ATOM 648 CB ASP A 44 4.221 -9.818 1.660 1.00 0.00 C ATOM 649 CG ASP A 44 4.395 -10.096 0.166 1.00 0.00 C ATOM 650 OD1 ASP A 44 5.112 -9.371 -0.540 1.00 0.00 O ATOM 651 OD2 ASP A 44 3.747 -11.120 -0.277 1.00 0.00 O ATOM 0 H ASP A 44 3.984 -10.413 4.108 1.00 0.00 H new ATOM 0 HA ASP A 44 5.657 -11.305 2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.303 -10.298 1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.091 -8.745 1.802 1.00 0.00 H new ATOM 657 N LEU A 45 6.533 -8.272 3.169 1.00 0.00 N ATOM 658 CA LEU A 45 7.580 -7.267 3.104 1.00 0.00 C ATOM 659 C LEU A 45 8.945 -7.953 3.192 1.00 0.00 C ATOM 660 O LEU A 45 9.902 -7.524 2.549 1.00 0.00 O ATOM 661 CB LEU A 45 7.361 -6.195 4.174 1.00 0.00 C ATOM 662 CG LEU A 45 8.625 -5.615 4.811 1.00 0.00 C ATOM 663 CD1 LEU A 45 8.319 -4.309 5.546 1.00 0.00 C ATOM 664 CD2 LEU A 45 9.300 -6.641 5.724 1.00 0.00 C ATOM 0 H LEU A 45 5.816 -8.096 3.873 1.00 0.00 H new ATOM 0 HA LEU A 45 7.546 -6.743 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.794 -5.377 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.742 -6.620 4.964 1.00 0.00 H new ATOM 0 HG LEU A 45 9.331 -5.379 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.235 -3.918 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.917 -3.581 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.587 -4.496 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.196 -6.203 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.611 -6.931 6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.575 -7.521 5.142 1.00 0.00 H new ATOM 676 N TYR A 46 8.992 -9.007 3.993 1.00 0.00 N ATOM 677 CA TYR A 46 10.223 -9.757 4.173 1.00 0.00 C ATOM 678 C TYR A 46 10.692 -10.367 2.850 1.00 0.00 C ATOM 679 O TYR A 46 11.788 -10.919 2.771 1.00 0.00 O ATOM 680 CB TYR A 46 9.891 -10.885 5.152 1.00 0.00 C ATOM 681 CG TYR A 46 9.857 -10.447 6.617 1.00 0.00 C ATOM 682 CD1 TYR A 46 10.465 -9.269 7.000 1.00 0.00 C ATOM 683 CD2 TYR A 46 9.217 -11.230 7.557 1.00 0.00 C ATOM 684 CE1 TYR A 46 10.432 -8.856 8.379 1.00 0.00 C ATOM 685 CE2 TYR A 46 9.185 -10.818 8.936 1.00 0.00 C ATOM 686 CZ TYR A 46 9.794 -9.652 9.279 1.00 0.00 C ATOM 687 OH TYR A 46 9.763 -9.262 10.582 1.00 0.00 O ATOM 0 H TYR A 46 8.196 -9.360 4.525 1.00 0.00 H new ATOM 0 HA TYR A 46 11.018 -9.107 4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.922 -11.308 4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.628 -11.680 5.038 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.966 -8.656 6.265 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.740 -12.152 7.258 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.903 -7.936 8.692 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.688 -11.422 9.681 1.00 0.00 H new ATOM 0 HH TYR A 46 10.425 -8.554 10.728 1.00 0.00 H new ATOM 697 N SER A 47 9.838 -10.247 1.844 1.00 0.00 N ATOM 698 CA SER A 47 10.151 -10.780 0.529 1.00 0.00 C ATOM 699 C SER A 47 10.185 -9.648 -0.499 1.00 0.00 C ATOM 700 O SER A 47 9.407 -8.699 -0.410 1.00 0.00 O ATOM 701 CB SER A 47 9.136 -11.846 0.111 1.00 0.00 C ATOM 702 OG SER A 47 9.500 -12.478 -1.113 1.00 0.00 O ATOM 0 H SER A 47 8.930 -9.788 1.913 1.00 0.00 H new ATOM 0 HA SER A 47 11.133 -11.250 0.575 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.055 -12.597 0.897 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.153 -11.388 0.004 1.00 0.00 H new ATOM 0 HG SER A 47 8.828 -13.153 -1.345 1.00 0.00 H new ATOM 708 N PRO A 48 11.119 -9.788 -1.478 1.00 0.00 N ATOM 709 CA PRO A 48 11.265 -8.789 -2.522 1.00 0.00 C ATOM 710 C PRO A 48 10.130 -8.893 -3.543 1.00 0.00 C ATOM 711 O PRO A 48 10.066 -9.852 -4.309 1.00 0.00 O ATOM 712 CB PRO A 48 12.635 -9.050 -3.128 1.00 0.00 C ATOM 713 CG PRO A 48 13.008 -10.466 -2.720 1.00 0.00 C ATOM 714 CD PRO A 48 12.058 -10.898 -1.615 1.00 0.00 C ATOM 0 HA PRO A 48 11.201 -7.770 -2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.607 -8.951 -4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.368 -8.332 -2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.934 -11.141 -3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.040 -10.504 -2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.543 -11.823 -1.875 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.592 -11.082 -0.683 1.00 0.00 H new ATOM 722 N GLY A 49 9.263 -7.891 -3.520 1.00 0.00 N ATOM 723 CA GLY A 49 8.134 -7.858 -4.434 1.00 0.00 C ATOM 724 C GLY A 49 6.812 -8.003 -3.678 1.00 0.00 C ATOM 725 O GLY A 49 6.092 -8.984 -3.861 1.00 0.00 O ATOM 0 H GLY A 49 9.320 -7.096 -2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.138 -6.920 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.229 -8.661 -5.164 1.00 0.00 H new ATOM 729 N SER A 50 6.532 -7.012 -2.844 1.00 0.00 N ATOM 730 CA SER A 50 5.309 -7.017 -2.059 1.00 0.00 C ATOM 731 C SER A 50 4.373 -5.908 -2.542 1.00 0.00 C ATOM 732 O SER A 50 3.176 -5.934 -2.260 1.00 0.00 O ATOM 733 CB SER A 50 5.610 -6.845 -0.569 1.00 0.00 C ATOM 734 OG SER A 50 4.491 -7.187 0.245 1.00 0.00 O ATOM 0 H SER A 50 7.131 -6.200 -2.695 1.00 0.00 H new ATOM 0 HA SER A 50 4.820 -7.982 -2.194 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.461 -7.470 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.898 -5.812 -0.374 1.00 0.00 H new ATOM 0 HG SER A 50 4.510 -6.655 1.068 1.00 0.00 H new ATOM 740 N TRP A 51 4.953 -4.959 -3.263 1.00 0.00 N ATOM 741 CA TRP A 51 4.186 -3.843 -3.788 1.00 0.00 C ATOM 742 C TRP A 51 3.803 -4.170 -5.233 1.00 0.00 C ATOM 743 O TRP A 51 2.838 -3.622 -5.763 1.00 0.00 O ATOM 744 CB TRP A 51 4.964 -2.532 -3.658 1.00 0.00 C ATOM 745 CG TRP A 51 5.043 -1.995 -2.227 1.00 0.00 C ATOM 746 CD1 TRP A 51 5.982 -2.241 -1.304 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.103 -1.104 -1.591 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.717 -1.577 -0.123 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.538 -0.863 -0.304 1.00 0.00 C ATOM 750 CE3 TRP A 51 2.924 -0.520 -2.087 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.854 -0.035 0.595 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.252 0.305 -1.177 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.677 0.557 0.123 1.00 0.00 C ATOM 0 H TRP A 51 5.946 -4.941 -3.496 1.00 0.00 H new ATOM 0 HA TRP A 51 3.273 -3.698 -3.210 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.976 -2.683 -4.035 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.496 -1.779 -4.292 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.839 -2.879 -1.464 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.282 -1.605 0.726 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.565 -0.694 -3.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.215 0.137 1.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.340 0.779 -1.508 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.101 1.207 0.765 1.00 0.00 H new ATOM 764 N ASP A 52 4.581 -5.062 -5.830 1.00 0.00 N ATOM 765 CA ASP A 52 4.336 -5.469 -7.203 1.00 0.00 C ATOM 766 C ASP A 52 3.108 -6.380 -7.249 1.00 0.00 C ATOM 767 O ASP A 52 2.405 -6.430 -8.257 1.00 0.00 O ATOM 768 CB ASP A 52 5.525 -6.248 -7.767 1.00 0.00 C ATOM 769 CG ASP A 52 5.971 -5.824 -9.167 1.00 0.00 C ATOM 770 OD1 ASP A 52 6.557 -6.617 -9.919 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.691 -4.605 -9.483 1.00 0.00 O ATOM 0 H ASP A 52 5.381 -5.514 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 52 4.180 -4.570 -7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.368 -6.138 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.268 -7.307 -7.789 1.00 0.00 H new ATOM 777 N PRO A 53 2.882 -7.098 -6.116 1.00 0.00 N ATOM 778 CA PRO A 53 1.751 -8.005 -6.018 1.00 0.00 C ATOM 779 C PRO A 53 0.443 -7.233 -5.832 1.00 0.00 C ATOM 780 O PRO A 53 -0.611 -7.673 -6.287 1.00 0.00 O ATOM 781 CB PRO A 53 2.077 -8.914 -4.843 1.00 0.00 C ATOM 782 CG PRO A 53 3.147 -8.191 -4.041 1.00 0.00 C ATOM 783 CD PRO A 53 3.693 -7.064 -4.903 1.00 0.00 C ATOM 0 HA PRO A 53 1.600 -8.588 -6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.191 -9.099 -4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.436 -9.884 -5.187 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.729 -7.795 -3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.945 -8.879 -3.762 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.608 -6.102 -4.397 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.749 -7.214 -5.128 1.00 0.00 H new ATOM 791 N ILE A 54 0.555 -6.096 -5.161 1.00 0.00 N ATOM 792 CA ILE A 54 -0.606 -5.259 -4.909 1.00 0.00 C ATOM 793 C ILE A 54 -0.968 -4.499 -6.187 1.00 0.00 C ATOM 794 O ILE A 54 -2.118 -4.104 -6.374 1.00 0.00 O ATOM 795 CB ILE A 54 -0.360 -4.350 -3.703 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.552 -4.376 -2.745 1.00 0.00 C ATOM 797 CG2 ILE A 54 -0.013 -2.928 -4.149 1.00 0.00 C ATOM 798 CD1 ILE A 54 -2.061 -2.961 -2.464 1.00 0.00 C ATOM 0 H ILE A 54 1.431 -5.735 -4.784 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.468 -5.873 -4.646 1.00 0.00 H new ATOM 0 HB ILE A 54 0.501 -4.734 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.354 -4.976 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.261 -4.854 -1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.157 -2.303 -3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.889 -2.948 -4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.838 -2.518 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.909 -3.008 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.264 -2.370 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.374 -2.495 -3.398 1.00 0.00 H new ATOM 810 N THR A 55 0.034 -4.318 -7.034 1.00 0.00 N ATOM 811 CA THR A 55 -0.165 -3.613 -8.289 1.00 0.00 C ATOM 812 C THR A 55 -1.133 -4.385 -9.187 1.00 0.00 C ATOM 813 O THR A 55 -2.153 -3.847 -9.614 1.00 0.00 O ATOM 814 CB THR A 55 1.207 -3.387 -8.927 1.00 0.00 C ATOM 815 OG1 THR A 55 1.522 -2.035 -8.605 1.00 0.00 O ATOM 816 CG2 THR A 55 1.152 -3.402 -10.456 1.00 0.00 C ATOM 0 H THR A 55 0.986 -4.647 -6.876 1.00 0.00 H new ATOM 0 HA THR A 55 -0.628 -2.640 -8.127 1.00 0.00 H new ATOM 0 HB THR A 55 1.898 -4.155 -8.581 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.612 -1.515 -9.430 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.152 -3.237 -10.858 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.779 -4.368 -10.797 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.486 -2.612 -10.804 1.00 0.00 H new ATOM 824 N ALA A 56 -0.779 -5.635 -9.448 1.00 0.00 N ATOM 825 CA ALA A 56 -1.603 -6.487 -10.287 1.00 0.00 C ATOM 826 C ALA A 56 -2.830 -6.944 -9.495 1.00 0.00 C ATOM 827 O ALA A 56 -3.782 -7.471 -10.067 1.00 0.00 O ATOM 828 CB ALA A 56 -0.768 -7.663 -10.798 1.00 0.00 C ATOM 0 H ALA A 56 0.068 -6.078 -9.093 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.959 -5.937 -11.158 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.387 -8.302 -11.428 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.074 -7.286 -11.379 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.395 -8.239 -9.951 1.00 0.00 H new ATOM 834 N ALA A 57 -2.766 -6.725 -8.189 1.00 0.00 N ATOM 835 CA ALA A 57 -3.859 -7.107 -7.312 1.00 0.00 C ATOM 836 C ALA A 57 -5.111 -6.312 -7.689 1.00 0.00 C ATOM 837 O ALA A 57 -6.026 -6.847 -8.312 1.00 0.00 O ATOM 838 CB ALA A 57 -3.446 -6.889 -5.856 1.00 0.00 C ATOM 0 H ALA A 57 -1.974 -6.288 -7.718 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.093 -8.165 -7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.266 -7.176 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.571 -7.498 -5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.206 -5.837 -5.699 1.00 0.00 H new ATOM 844 N LEU A 58 -5.111 -5.048 -7.293 1.00 0.00 N ATOM 845 CA LEU A 58 -6.236 -4.174 -7.581 1.00 0.00 C ATOM 846 C LEU A 58 -6.559 -4.241 -9.075 1.00 0.00 C ATOM 847 O LEU A 58 -7.727 -4.225 -9.462 1.00 0.00 O ATOM 848 CB LEU A 58 -5.956 -2.757 -7.076 1.00 0.00 C ATOM 849 CG LEU A 58 -4.910 -1.960 -7.859 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.548 -2.656 -7.819 1.00 0.00 C ATOM 851 CD2 LEU A 58 -5.379 -1.699 -9.291 1.00 0.00 C ATOM 0 H LEU A 58 -4.350 -4.608 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.125 -4.509 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.892 -2.198 -7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.633 -2.820 -6.037 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.789 -0.989 -7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.823 -2.069 -8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.216 -2.747 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.634 -3.649 -8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.617 -1.131 -9.825 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.546 -2.649 -9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.309 -1.130 -9.271 1.00 0.00 H new ATOM 863 N SER A 59 -5.505 -4.316 -9.874 1.00 0.00 N ATOM 864 CA SER A 59 -5.662 -4.386 -11.316 1.00 0.00 C ATOM 865 C SER A 59 -6.484 -5.620 -11.694 1.00 0.00 C ATOM 866 O SER A 59 -7.275 -5.579 -12.635 1.00 0.00 O ATOM 867 CB SER A 59 -4.302 -4.419 -12.018 1.00 0.00 C ATOM 868 OG SER A 59 -4.403 -4.065 -13.394 1.00 0.00 O ATOM 0 H SER A 59 -4.538 -4.330 -9.549 1.00 0.00 H new ATOM 0 HA SER A 59 -6.189 -3.491 -11.646 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.619 -3.734 -11.517 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.873 -5.417 -11.931 1.00 0.00 H new ATOM 0 HG SER A 59 -3.514 -4.096 -13.806 1.00 0.00 H new ATOM 874 N GLN A 60 -6.269 -6.688 -10.940 1.00 0.00 N ATOM 875 CA GLN A 60 -6.980 -7.931 -11.184 1.00 0.00 C ATOM 876 C GLN A 60 -8.463 -7.771 -10.841 1.00 0.00 C ATOM 877 O GLN A 60 -9.302 -8.527 -11.328 1.00 0.00 O ATOM 878 CB GLN A 60 -6.357 -9.084 -10.393 1.00 0.00 C ATOM 879 CG GLN A 60 -7.379 -10.196 -10.147 1.00 0.00 C ATOM 880 CD GLN A 60 -7.933 -10.733 -11.468 1.00 0.00 C ATOM 881 OE1 GLN A 60 -7.430 -10.452 -12.543 1.00 0.00 O ATOM 882 NE2 GLN A 60 -8.996 -11.521 -11.328 1.00 0.00 N ATOM 0 H GLN A 60 -5.613 -6.718 -10.160 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.895 -8.172 -12.244 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.503 -9.485 -10.939 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.981 -8.714 -9.439 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.912 -11.007 -9.588 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.196 -9.815 -9.534 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.367 -11.716 -10.398 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.439 -11.930 -12.150 1.00 0.00 H new ATOM 891 N ARG A 61 -8.741 -6.780 -10.006 1.00 0.00 N ATOM 892 CA ARG A 61 -10.107 -6.511 -9.593 1.00 0.00 C ATOM 893 C ARG A 61 -10.180 -5.186 -8.830 1.00 0.00 C ATOM 894 O ARG A 61 -10.402 -5.174 -7.621 1.00 0.00 O ATOM 895 CB ARG A 61 -10.646 -7.633 -8.704 1.00 0.00 C ATOM 896 CG ARG A 61 -9.666 -7.955 -7.574 1.00 0.00 C ATOM 897 CD ARG A 61 -9.958 -9.331 -6.970 1.00 0.00 C ATOM 898 NE ARG A 61 -10.723 -9.179 -5.713 1.00 0.00 N ATOM 899 CZ ARG A 61 -10.183 -8.783 -4.541 1.00 0.00 C ATOM 900 NH1 ARG A 61 -8.867 -8.494 -4.456 1.00 0.00 N ATOM 901 NH2 ARG A 61 -10.961 -8.681 -3.479 1.00 0.00 N ATOM 0 H ARG A 61 -8.043 -6.154 -9.605 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.719 -6.451 -10.493 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.608 -7.339 -8.284 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.820 -8.526 -9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.645 -7.930 -7.955 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.735 -7.192 -6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.523 -9.936 -7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.024 -9.858 -6.776 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.721 -9.387 -5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.273 -8.574 -5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.467 -8.195 -3.567 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.955 -8.900 -3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.568 -8.383 -2.586 1.00 0.00 H new ATOM 914 N ALA A 62 -9.987 -4.103 -9.569 1.00 0.00 N ATOM 915 CA ALA A 62 -10.028 -2.777 -8.978 1.00 0.00 C ATOM 916 C ALA A 62 -11.483 -2.390 -8.704 1.00 0.00 C ATOM 917 O ALA A 62 -11.753 -1.523 -7.874 1.00 0.00 O ATOM 918 CB ALA A 62 -9.325 -1.783 -9.904 1.00 0.00 C ATOM 0 H ALA A 62 -9.802 -4.117 -10.572 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.499 -2.765 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.356 -0.788 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.287 -2.086 -10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.830 -1.765 -10.870 1.00 0.00 H new ATOM 924 N MET A 63 -12.382 -3.050 -9.419 1.00 0.00 N ATOM 925 CA MET A 63 -13.802 -2.786 -9.264 1.00 0.00 C ATOM 926 C MET A 63 -14.346 -3.440 -7.992 1.00 0.00 C ATOM 927 O MET A 63 -15.541 -3.360 -7.710 1.00 0.00 O ATOM 928 CB MET A 63 -14.558 -3.327 -10.479 1.00 0.00 C ATOM 929 CG MET A 63 -15.779 -2.460 -10.795 1.00 0.00 C ATOM 930 SD MET A 63 -16.671 -3.145 -12.181 1.00 0.00 S ATOM 931 CE MET A 63 -15.516 -2.797 -13.497 1.00 0.00 C ATOM 0 H MET A 63 -12.154 -3.767 -10.107 1.00 0.00 H new ATOM 0 HA MET A 63 -13.945 -1.708 -9.186 1.00 0.00 H new ATOM 0 HB2 MET A 63 -13.894 -3.355 -11.343 1.00 0.00 H new ATOM 0 HB3 MET A 63 -14.875 -4.352 -10.288 1.00 0.00 H new ATOM 0 HG2 MET A 63 -16.431 -2.405 -9.924 1.00 0.00 H new ATOM 0 HG3 MET A 63 -15.463 -1.442 -11.022 1.00 0.00 H new ATOM 0 HE1 MET A 63 -16.043 -2.790 -14.451 1.00 0.00 H new ATOM 0 HE2 MET A 63 -15.056 -1.823 -13.329 1.00 0.00 H new ATOM 0 HE3 MET A 63 -14.743 -3.565 -13.515 1.00 0.00 H new ATOM 941 N ILE A 64 -13.443 -4.073 -7.257 1.00 0.00 N ATOM 942 CA ILE A 64 -13.816 -4.740 -6.022 1.00 0.00 C ATOM 943 C ILE A 64 -12.672 -4.617 -5.014 1.00 0.00 C ATOM 944 O ILE A 64 -12.237 -5.614 -4.440 1.00 0.00 O ATOM 945 CB ILE A 64 -14.239 -6.184 -6.300 1.00 0.00 C ATOM 946 CG1 ILE A 64 -15.515 -6.229 -7.144 1.00 0.00 C ATOM 947 CG2 ILE A 64 -14.385 -6.973 -4.997 1.00 0.00 C ATOM 948 CD1 ILE A 64 -15.183 -6.332 -8.634 1.00 0.00 C ATOM 0 H ILE A 64 -12.453 -4.138 -7.494 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.686 -4.257 -5.576 1.00 0.00 H new ATOM 0 HB ILE A 64 -13.452 -6.665 -6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -16.124 -7.082 -6.844 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -16.108 -5.333 -6.961 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.686 -7.996 -5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.431 -6.984 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -15.142 -6.502 -4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -16.107 -6.362 -9.211 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -14.594 -5.466 -8.936 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.611 -7.241 -8.817 1.00 0.00 H new ATOM 960 N LEU A 65 -12.216 -3.387 -4.831 1.00 0.00 N ATOM 961 CA LEU A 65 -11.131 -3.121 -3.903 1.00 0.00 C ATOM 962 C LEU A 65 -11.700 -2.519 -2.617 1.00 0.00 C ATOM 963 O LEU A 65 -12.909 -2.320 -2.503 1.00 0.00 O ATOM 964 CB LEU A 65 -10.059 -2.253 -4.566 1.00 0.00 C ATOM 965 CG LEU A 65 -8.781 -2.029 -3.756 1.00 0.00 C ATOM 966 CD1 LEU A 65 -7.543 -2.100 -4.653 1.00 0.00 C ATOM 967 CD2 LEU A 65 -8.849 -0.715 -2.976 1.00 0.00 C ATOM 0 H LEU A 65 -12.579 -2.563 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.631 -4.049 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.787 -2.710 -5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.496 -1.281 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.695 -2.833 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.648 -1.937 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.490 -3.082 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.607 -1.331 -5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.928 -0.580 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.971 0.115 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.696 -0.742 -2.291 1.00 0.00 H new ATOM 979 N GLY A 66 -10.803 -2.245 -1.681 1.00 0.00 N ATOM 980 CA GLY A 66 -11.202 -1.669 -0.408 1.00 0.00 C ATOM 981 C GLY A 66 -11.271 -0.143 -0.494 1.00 0.00 C ATOM 982 O GLY A 66 -11.114 0.546 0.512 1.00 0.00 O ATOM 0 H GLY A 66 -9.801 -2.411 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.174 -2.065 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.492 -1.961 0.366 1.00 0.00 H new ATOM 986 N LYS A 67 -11.508 0.339 -1.705 1.00 0.00 N ATOM 987 CA LYS A 67 -11.601 1.771 -1.935 1.00 0.00 C ATOM 988 C LYS A 67 -12.991 2.107 -2.479 1.00 0.00 C ATOM 989 O LYS A 67 -13.612 3.077 -2.047 1.00 0.00 O ATOM 990 CB LYS A 67 -10.458 2.243 -2.836 1.00 0.00 C ATOM 991 CG LYS A 67 -10.705 3.669 -3.333 1.00 0.00 C ATOM 992 CD LYS A 67 -10.658 4.669 -2.177 1.00 0.00 C ATOM 993 CE LYS A 67 -11.893 5.572 -2.181 1.00 0.00 C ATOM 994 NZ LYS A 67 -11.521 6.958 -2.541 1.00 0.00 N ATOM 0 H LYS A 67 -11.638 -0.236 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.485 2.316 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.517 2.203 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.359 1.569 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.954 3.933 -4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.676 3.723 -3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.599 4.133 -1.230 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.758 5.278 -2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.627 5.190 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.363 5.559 -1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.371 7.557 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.837 7.325 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.093 6.968 -3.489 1.00 0.00 H new ATOM 1007 N SER A 68 -13.439 1.286 -3.417 1.00 0.00 N ATOM 1008 CA SER A 68 -14.744 1.484 -4.024 1.00 0.00 C ATOM 1009 C SER A 68 -14.700 2.674 -4.984 1.00 0.00 C ATOM 1010 O SER A 68 -15.058 2.546 -6.154 1.00 0.00 O ATOM 1011 CB SER A 68 -15.820 1.701 -2.957 1.00 0.00 C ATOM 1012 OG SER A 68 -17.127 1.433 -3.456 1.00 0.00 O ATOM 0 H SER A 68 -12.921 0.482 -3.772 1.00 0.00 H new ATOM 0 HA SER A 68 -15.001 0.585 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 68 -15.619 1.055 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.773 2.729 -2.598 1.00 0.00 H new ATOM 0 HG SER A 68 -17.785 1.581 -2.745 1.00 0.00 H new ATOM 1018 N GLY A 69 -14.258 3.805 -4.454 1.00 0.00 N ATOM 1019 CA GLY A 69 -14.163 5.017 -5.249 1.00 0.00 C ATOM 1020 C GLY A 69 -13.646 4.710 -6.656 1.00 0.00 C ATOM 1021 O GLY A 69 -14.354 4.918 -7.640 1.00 0.00 O ATOM 0 H GLY A 69 -13.962 3.907 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.142 5.492 -5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.496 5.726 -4.759 1.00 0.00 H new ATOM 1025 N GLU A 70 -12.415 4.221 -6.707 1.00 0.00 N ATOM 1026 CA GLU A 70 -11.795 3.884 -7.977 1.00 0.00 C ATOM 1027 C GLU A 70 -10.456 3.182 -7.744 1.00 0.00 C ATOM 1028 O GLU A 70 -10.339 1.975 -7.950 1.00 0.00 O ATOM 1029 CB GLU A 70 -11.618 5.129 -8.848 1.00 0.00 C ATOM 1030 CG GLU A 70 -11.620 4.763 -10.334 1.00 0.00 C ATOM 1031 CD GLU A 70 -12.212 5.896 -11.176 1.00 0.00 C ATOM 1032 OE1 GLU A 70 -12.055 7.075 -10.827 1.00 0.00 O ATOM 1033 OE2 GLU A 70 -12.854 5.515 -12.227 1.00 0.00 O ATOM 0 H GLU A 70 -11.831 4.050 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.454 3.199 -8.511 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.420 5.838 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.682 5.625 -8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.602 4.555 -10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.197 3.851 -10.487 1.00 0.00 H new ATOM 1041 N LEU A 71 -9.479 3.968 -7.316 1.00 0.00 N ATOM 1042 CA LEU A 71 -8.152 3.437 -7.053 1.00 0.00 C ATOM 1043 C LEU A 71 -7.247 4.564 -6.551 1.00 0.00 C ATOM 1044 O LEU A 71 -6.042 4.554 -6.800 1.00 0.00 O ATOM 1045 CB LEU A 71 -7.609 2.716 -8.288 1.00 0.00 C ATOM 1046 CG LEU A 71 -7.066 1.304 -8.057 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -8.190 0.268 -8.115 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -5.938 0.982 -9.039 1.00 0.00 C ATOM 0 H LEU A 71 -9.580 4.968 -7.145 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.192 2.685 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.405 2.661 -9.031 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.813 3.324 -8.718 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.641 1.262 -7.054 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.777 -0.727 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.928 0.489 -7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.667 0.303 -9.095 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.570 -0.027 -8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.314 1.048 -10.060 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.124 1.695 -8.905 1.00 0.00 H new ATOM 1060 N LYS A 72 -7.862 5.507 -5.853 1.00 0.00 N ATOM 1061 CA LYS A 72 -7.127 6.638 -5.313 1.00 0.00 C ATOM 1062 C LYS A 72 -6.154 6.144 -4.241 1.00 0.00 C ATOM 1063 O LYS A 72 -4.989 6.540 -4.224 1.00 0.00 O ATOM 1064 CB LYS A 72 -8.091 7.717 -4.818 1.00 0.00 C ATOM 1065 CG LYS A 72 -7.332 8.875 -4.166 1.00 0.00 C ATOM 1066 CD LYS A 72 -6.890 9.899 -5.213 1.00 0.00 C ATOM 1067 CE LYS A 72 -5.430 10.304 -5.003 1.00 0.00 C ATOM 1068 NZ LYS A 72 -5.095 11.485 -5.829 1.00 0.00 N ATOM 0 H LYS A 72 -8.861 5.511 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.530 7.111 -6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.684 8.091 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.788 7.285 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.967 9.359 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.460 8.491 -3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.015 9.480 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.528 10.781 -5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.257 10.528 -3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.775 9.473 -5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.100 11.746 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.241 11.259 -6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.708 12.281 -5.561 1.00 0.00 H new ATOM 1081 N THR A 73 -6.667 5.286 -3.372 1.00 0.00 N ATOM 1082 CA THR A 73 -5.858 4.733 -2.299 1.00 0.00 C ATOM 1083 C THR A 73 -4.663 3.968 -2.871 1.00 0.00 C ATOM 1084 O THR A 73 -3.534 4.141 -2.414 1.00 0.00 O ATOM 1085 CB THR A 73 -6.765 3.872 -1.418 1.00 0.00 C ATOM 1086 OG1 THR A 73 -7.674 3.273 -2.337 1.00 0.00 O ATOM 1087 CG2 THR A 73 -7.659 4.710 -0.502 1.00 0.00 C ATOM 0 H THR A 73 -7.633 4.960 -3.389 1.00 0.00 H new ATOM 0 HA THR A 73 -5.432 5.522 -1.679 1.00 0.00 H new ATOM 0 HB THR A 73 -6.154 3.202 -0.814 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.386 2.356 -2.531 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.282 4.050 0.101 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.038 5.321 0.153 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.295 5.357 -1.107 1.00 0.00 H new ATOM 1095 N TRP A 74 -4.952 3.140 -3.864 1.00 0.00 N ATOM 1096 CA TRP A 74 -3.915 2.348 -4.504 1.00 0.00 C ATOM 1097 C TRP A 74 -2.852 3.308 -5.042 1.00 0.00 C ATOM 1098 O TRP A 74 -1.684 2.940 -5.166 1.00 0.00 O ATOM 1099 CB TRP A 74 -4.506 1.443 -5.587 1.00 0.00 C ATOM 1100 CG TRP A 74 -3.464 0.622 -6.348 1.00 0.00 C ATOM 1101 CD1 TRP A 74 -2.792 -0.456 -5.922 1.00 0.00 C ATOM 1102 CD2 TRP A 74 -3.000 0.856 -7.695 1.00 0.00 C ATOM 1103 NE1 TRP A 74 -1.932 -0.931 -6.891 1.00 0.00 N ATOM 1104 CE2 TRP A 74 -2.063 -0.108 -8.003 1.00 0.00 C ATOM 1105 CE3 TRP A 74 -3.361 1.851 -8.621 1.00 0.00 C ATOM 1106 CZ2 TRP A 74 -1.408 -0.172 -9.239 1.00 0.00 C ATOM 1107 CZ3 TRP A 74 -2.698 1.772 -9.851 1.00 0.00 C ATOM 1108 CH2 TRP A 74 -1.751 0.808 -10.178 1.00 0.00 C ATOM 0 H TRP A 74 -5.889 3.000 -4.241 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.446 1.675 -3.787 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.223 0.764 -5.127 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.059 2.057 -6.297 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.909 -0.898 -4.943 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.314 -1.738 -6.807 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.092 2.615 -8.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.677 -0.937 -9.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.939 2.512 -10.599 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.283 0.815 -11.151 1.00 0.00 H new ATOM 1119 N GLY A 75 -3.293 4.519 -5.346 1.00 0.00 N ATOM 1120 CA GLY A 75 -2.394 5.534 -5.868 1.00 0.00 C ATOM 1121 C GLY A 75 -1.306 5.879 -4.848 1.00 0.00 C ATOM 1122 O GLY A 75 -0.120 5.694 -5.114 1.00 0.00 O ATOM 0 H GLY A 75 -4.262 4.821 -5.241 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.934 5.178 -6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.959 6.431 -6.120 1.00 0.00 H new ATOM 1126 N LEU A 76 -1.750 6.374 -3.702 1.00 0.00 N ATOM 1127 CA LEU A 76 -0.829 6.747 -2.642 1.00 0.00 C ATOM 1128 C LEU A 76 -0.042 5.512 -2.198 1.00 0.00 C ATOM 1129 O LEU A 76 1.171 5.579 -2.009 1.00 0.00 O ATOM 1130 CB LEU A 76 -1.578 7.441 -1.502 1.00 0.00 C ATOM 1131 CG LEU A 76 -0.781 8.482 -0.713 1.00 0.00 C ATOM 1132 CD1 LEU A 76 -1.715 9.435 0.035 1.00 0.00 C ATOM 1133 CD2 LEU A 76 0.222 7.809 0.226 1.00 0.00 C ATOM 0 H LEU A 76 -2.735 6.525 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.103 7.474 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.462 7.926 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.930 6.678 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.208 9.081 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.124 10.165 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.355 9.953 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.333 8.867 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.775 8.571 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.311 7.170 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.918 7.205 -0.357 1.00 0.00 H new ATOM 1145 N VAL A 77 -0.766 4.412 -2.045 1.00 0.00 N ATOM 1146 CA VAL A 77 -0.150 3.164 -1.628 1.00 0.00 C ATOM 1147 C VAL A 77 0.799 2.676 -2.724 1.00 0.00 C ATOM 1148 O VAL A 77 1.991 2.494 -2.482 1.00 0.00 O ATOM 1149 CB VAL A 77 -1.231 2.140 -1.274 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -1.693 1.379 -2.518 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -0.740 1.176 -0.193 1.00 0.00 C ATOM 0 H VAL A 77 -1.772 4.360 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 77 0.445 3.315 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.088 2.682 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.461 0.658 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.102 2.082 -3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.846 0.854 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.527 0.459 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.141 0.644 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.483 1.737 0.705 1.00 0.00 H new ATOM 1161 N LEU A 78 0.235 2.479 -3.907 1.00 0.00 N ATOM 1162 CA LEU A 78 1.016 2.016 -5.041 1.00 0.00 C ATOM 1163 C LEU A 78 1.948 3.138 -5.504 1.00 0.00 C ATOM 1164 O LEU A 78 3.167 2.972 -5.517 1.00 0.00 O ATOM 1165 CB LEU A 78 0.098 1.485 -6.143 1.00 0.00 C ATOM 1166 CG LEU A 78 0.653 0.332 -6.981 1.00 0.00 C ATOM 1167 CD1 LEU A 78 2.016 0.694 -7.577 1.00 0.00 C ATOM 1168 CD2 LEU A 78 0.710 -0.962 -6.166 1.00 0.00 C ATOM 0 H LEU A 78 -0.754 2.632 -4.104 1.00 0.00 H new ATOM 0 HA LEU A 78 1.647 1.175 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.835 1.158 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.147 2.309 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.028 0.158 -7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.388 -0.143 -8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.913 1.572 -8.215 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.719 0.911 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.108 -1.765 -6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.356 -0.818 -5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.293 -1.226 -5.831 1.00 0.00 H new ATOM 1180 N GLY A 79 1.339 4.255 -5.874 1.00 0.00 N ATOM 1181 CA GLY A 79 2.099 5.403 -6.337 1.00 0.00 C ATOM 1182 C GLY A 79 3.436 5.509 -5.602 1.00 0.00 C ATOM 1183 O GLY A 79 4.422 5.982 -6.165 1.00 0.00 O ATOM 0 H GLY A 79 0.328 4.389 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.275 5.318 -7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.521 6.314 -6.180 1.00 0.00 H new ATOM 1187 N ALA A 80 3.427 5.059 -4.356 1.00 0.00 N ATOM 1188 CA ALA A 80 4.627 5.097 -3.538 1.00 0.00 C ATOM 1189 C ALA A 80 5.629 4.065 -4.062 1.00 0.00 C ATOM 1190 O ALA A 80 6.804 4.375 -4.249 1.00 0.00 O ATOM 1191 CB ALA A 80 4.255 4.857 -2.074 1.00 0.00 C ATOM 0 H ALA A 80 2.607 4.666 -3.893 1.00 0.00 H new ATOM 0 HA ALA A 80 5.101 6.077 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.155 4.886 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.565 5.633 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.779 3.881 -1.975 1.00 0.00 H new ATOM 1197 N LEU A 81 5.126 2.859 -4.283 1.00 0.00 N ATOM 1198 CA LEU A 81 5.962 1.780 -4.781 1.00 0.00 C ATOM 1199 C LEU A 81 6.690 2.246 -6.044 1.00 0.00 C ATOM 1200 O LEU A 81 7.885 2.000 -6.202 1.00 0.00 O ATOM 1201 CB LEU A 81 5.133 0.510 -4.982 1.00 0.00 C ATOM 1202 CG LEU A 81 5.618 -0.440 -6.080 1.00 0.00 C ATOM 1203 CD1 LEU A 81 6.898 -1.161 -5.655 1.00 0.00 C ATOM 1204 CD2 LEU A 81 4.514 -1.421 -6.482 1.00 0.00 C ATOM 0 H LEU A 81 4.150 2.606 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 81 6.727 1.521 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.109 -0.037 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.107 0.801 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 81 5.860 0.152 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.221 -1.830 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.680 -0.428 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.707 -1.740 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.884 -2.085 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.218 -2.011 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.653 -0.867 -6.855 1.00 0.00 H new ATOM 1216 N LYS A 82 5.939 2.911 -6.910 1.00 0.00 N ATOM 1217 CA LYS A 82 6.498 3.413 -8.154 1.00 0.00 C ATOM 1218 C LYS A 82 7.452 4.570 -7.849 1.00 0.00 C ATOM 1219 O LYS A 82 8.352 4.861 -8.635 1.00 0.00 O ATOM 1220 CB LYS A 82 5.381 3.779 -9.134 1.00 0.00 C ATOM 1221 CG LYS A 82 4.941 2.558 -9.944 1.00 0.00 C ATOM 1222 CD LYS A 82 4.792 1.328 -9.046 1.00 0.00 C ATOM 1223 CE LYS A 82 3.966 0.241 -9.737 1.00 0.00 C ATOM 1224 NZ LYS A 82 4.812 -0.538 -10.669 1.00 0.00 N ATOM 0 H LYS A 82 4.949 3.114 -6.775 1.00 0.00 H new ATOM 0 HA LYS A 82 7.084 2.638 -8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.529 4.183 -8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.726 4.562 -9.809 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.993 2.768 -10.439 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.671 2.354 -10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.777 0.936 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.313 1.613 -8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.530 -0.423 -8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.138 0.696 -10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.236 -1.271 -11.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.207 0.097 -11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.587 -0.987 -10.141 1.00 0.00 H new ATOM 1237 N ALA A 83 7.222 5.198 -6.705 1.00 0.00 N ATOM 1238 CA ALA A 83 8.050 6.316 -6.286 1.00 0.00 C ATOM 1239 C ALA A 83 9.448 5.805 -5.931 1.00 0.00 C ATOM 1240 O ALA A 83 10.442 6.489 -6.171 1.00 0.00 O ATOM 1241 CB ALA A 83 7.379 7.038 -5.116 1.00 0.00 C ATOM 0 H ALA A 83 6.474 4.954 -6.056 1.00 0.00 H new ATOM 0 HA ALA A 83 8.158 7.038 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.000 7.877 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.402 7.407 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.256 6.345 -4.283 1.00 0.00 H new ATOM 1247 N ALA A 84 9.480 4.608 -5.365 1.00 0.00 N ATOM 1248 CA ALA A 84 10.739 3.998 -4.974 1.00 0.00 C ATOM 1249 C ALA A 84 11.581 3.732 -6.223 1.00 0.00 C ATOM 1250 O ALA A 84 12.756 4.093 -6.273 1.00 0.00 O ATOM 1251 CB ALA A 84 10.463 2.722 -4.175 1.00 0.00 C ATOM 0 H ALA A 84 8.654 4.044 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 84 11.307 4.670 -4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.408 2.265 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.887 2.969 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.897 2.023 -4.790 1.00 0.00 H new ATOM 1257 N ARG A 85 10.948 3.103 -7.202 1.00 0.00 N ATOM 1258 CA ARG A 85 11.624 2.785 -8.449 1.00 0.00 C ATOM 1259 C ARG A 85 11.883 4.061 -9.253 1.00 0.00 C ATOM 1260 O ARG A 85 12.689 4.060 -10.182 1.00 0.00 O ATOM 1261 CB ARG A 85 10.794 1.817 -9.294 1.00 0.00 C ATOM 1262 CG ARG A 85 11.471 0.447 -9.382 1.00 0.00 C ATOM 1263 CD ARG A 85 12.555 0.440 -10.461 1.00 0.00 C ATOM 1264 NE ARG A 85 13.830 -0.055 -9.894 1.00 0.00 N ATOM 1265 CZ ARG A 85 14.126 -1.361 -9.724 1.00 0.00 C ATOM 1266 NH1 ARG A 85 13.239 -2.316 -10.076 1.00 0.00 N ATOM 1267 NH2 ARG A 85 15.295 -1.690 -9.207 1.00 0.00 N ATOM 0 H ARG A 85 9.974 2.805 -7.157 1.00 0.00 H new ATOM 0 HA ARG A 85 12.573 2.310 -8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.801 1.708 -8.859 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.660 2.226 -10.296 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.911 0.192 -8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.726 -0.317 -9.605 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.247 -0.193 -11.293 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.690 1.446 -10.859 1.00 0.00 H new ATOM 0 HE ARG A 85 14.528 0.634 -9.614 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.337 -2.053 -10.474 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.471 -3.301 -9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.959 -0.962 -8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.535 -2.672 -9.072 1.00 0.00 H new ATOM 1280 N GLU A 86 11.183 5.118 -8.867 1.00 0.00 N ATOM 1281 CA GLU A 86 11.327 6.397 -9.540 1.00 0.00 C ATOM 1282 C GLU A 86 12.534 7.156 -8.986 1.00 0.00 C ATOM 1283 O GLU A 86 13.316 7.727 -9.745 1.00 0.00 O ATOM 1284 CB GLU A 86 10.050 7.230 -9.413 1.00 0.00 C ATOM 1285 CG GLU A 86 10.127 8.487 -10.282 1.00 0.00 C ATOM 1286 CD GLU A 86 8.959 9.431 -9.986 1.00 0.00 C ATOM 1287 OE1 GLU A 86 7.832 9.183 -10.438 1.00 0.00 O ATOM 1288 OE2 GLU A 86 9.256 10.453 -9.256 1.00 0.00 O ATOM 0 H GLU A 86 10.515 5.114 -8.097 1.00 0.00 H new ATOM 0 HA GLU A 86 11.496 6.210 -10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.189 6.630 -9.710 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.898 7.512 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.070 9.002 -10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.115 8.207 -11.335 1.00 0.00 H new ATOM 1296 N GLU A 87 12.649 7.138 -7.666 1.00 0.00 N ATOM 1297 CA GLU A 87 13.748 7.818 -7.001 1.00 0.00 C ATOM 1298 C GLU A 87 13.751 9.304 -7.365 1.00 0.00 C ATOM 1299 O GLU A 87 12.800 9.802 -7.966 1.00 0.00 O ATOM 1300 CB GLU A 87 15.087 7.165 -7.349 1.00 0.00 C ATOM 1301 CG GLU A 87 15.637 6.374 -6.161 1.00 0.00 C ATOM 1302 CD GLU A 87 16.375 5.119 -6.632 1.00 0.00 C ATOM 1303 OE1 GLU A 87 17.037 5.146 -7.680 1.00 0.00 O ATOM 1304 OE2 GLU A 87 16.244 4.090 -5.866 1.00 0.00 O ATOM 0 H GLU A 87 11.999 6.663 -7.039 1.00 0.00 H new ATOM 0 HA GLU A 87 13.607 7.729 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.961 6.502 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.804 7.932 -7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.314 7.003 -5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.819 6.092 -5.498 1.00 0.00 H new TER 1312 GLU A 87