USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 657 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 63 GLN :FLIP amide:sc= 1.15 F(o=-0.057,f=2.3) USER MOD Set 1.2: A 65 TYR OH : rot 101:sc= 1.18 USER MOD Set 2.1: A 13 SER OG : rot 19:sc= 0.416 USER MOD Set 2.2: A 75 THR OG1 : rot -66:sc= 1.24 USER MOD Single : A 12 MET CE :methyl 138:sc= -0.178 (180deg=-1.03) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.0293) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0707) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.453 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0712) USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= -0.847 (180deg=-1.03) USER MOD Single : A 67 SER OG : rot 3:sc= -0.382 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 156:sc= 0.00252 USER MOD Single : A 82 HIS : no HD1:sc= -0.039 X(o=-0.039,f=-6.2e-05) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 85.904 -4.845 -18.251 1.00 0.00 N ATOM 2 CA GLU A 8 84.480 -5.135 -17.894 1.00 0.00 C ATOM 3 C GLU A 8 83.615 -3.893 -18.122 1.00 0.00 C ATOM 4 O GLU A 8 84.100 -2.776 -18.060 1.00 0.00 O ATOM 5 CB GLU A 8 84.515 -5.502 -16.409 1.00 0.00 C ATOM 6 CG GLU A 8 83.147 -6.043 -15.982 1.00 0.00 C ATOM 7 CD GLU A 8 83.145 -6.296 -14.472 1.00 0.00 C ATOM 8 OE1 GLU A 8 83.622 -5.440 -13.745 1.00 0.00 O ATOM 9 OE2 GLU A 8 82.664 -7.342 -14.069 1.00 0.00 O ATOM 0 HA GLU A 8 84.053 -5.933 -18.502 1.00 0.00 H new ATOM 0 HB2 GLU A 8 85.286 -6.250 -16.227 1.00 0.00 H new ATOM 0 HB3 GLU A 8 84.773 -4.626 -15.813 1.00 0.00 H new ATOM 0 HG2 GLU A 8 82.365 -5.330 -16.243 1.00 0.00 H new ATOM 0 HG3 GLU A 8 82.927 -6.967 -16.516 1.00 0.00 H new ATOM 16 N GLY A 9 82.340 -4.088 -18.383 1.00 0.00 N ATOM 17 CA GLY A 9 81.420 -2.935 -18.631 1.00 0.00 C ATOM 18 C GLY A 9 81.103 -2.237 -17.305 1.00 0.00 C ATOM 19 O GLY A 9 81.512 -2.691 -16.251 1.00 0.00 O ATOM 0 H GLY A 9 81.898 -5.006 -18.434 1.00 0.00 H new ATOM 0 HA2 GLY A 9 81.881 -2.231 -19.323 1.00 0.00 H new ATOM 0 HA3 GLY A 9 80.500 -3.285 -19.099 1.00 0.00 H new ATOM 23 N VAL A 10 80.378 -1.142 -17.362 1.00 0.00 N ATOM 24 CA VAL A 10 80.041 -0.376 -16.117 1.00 0.00 C ATOM 25 C VAL A 10 78.712 -0.891 -15.545 1.00 0.00 C ATOM 26 O VAL A 10 77.746 -1.056 -16.267 1.00 0.00 O ATOM 27 CB VAL A 10 79.926 1.101 -16.551 1.00 0.00 C ATOM 28 CG1 VAL A 10 79.608 1.987 -15.339 1.00 0.00 C ATOM 29 CG2 VAL A 10 81.248 1.577 -17.165 1.00 0.00 C ATOM 0 H VAL A 10 80.003 -0.744 -18.223 1.00 0.00 H new ATOM 0 HA VAL A 10 80.795 -0.493 -15.338 1.00 0.00 H new ATOM 0 HB VAL A 10 79.125 1.177 -17.287 1.00 0.00 H new ATOM 0 HG11 VAL A 10 79.530 3.026 -15.659 1.00 0.00 H new ATOM 0 HG12 VAL A 10 78.664 1.671 -14.895 1.00 0.00 H new ATOM 0 HG13 VAL A 10 80.405 1.894 -14.601 1.00 0.00 H new ATOM 0 HG21 VAL A 10 81.154 2.620 -17.467 1.00 0.00 H new ATOM 0 HG22 VAL A 10 82.046 1.483 -16.428 1.00 0.00 H new ATOM 0 HG23 VAL A 10 81.485 0.967 -18.037 1.00 0.00 H new ATOM 39 N ILE A 11 78.671 -1.140 -14.255 1.00 0.00 N ATOM 40 CA ILE A 11 77.408 -1.609 -13.597 1.00 0.00 C ATOM 41 C ILE A 11 77.023 -0.621 -12.486 1.00 0.00 C ATOM 42 O ILE A 11 77.882 -0.069 -11.820 1.00 0.00 O ATOM 43 CB ILE A 11 77.731 -3.004 -13.019 1.00 0.00 C ATOM 44 CG1 ILE A 11 78.150 -3.959 -14.145 1.00 0.00 C ATOM 45 CG2 ILE A 11 76.493 -3.588 -12.323 1.00 0.00 C ATOM 46 CD1 ILE A 11 78.794 -5.210 -13.543 1.00 0.00 C ATOM 0 H ILE A 11 79.467 -1.037 -13.625 1.00 0.00 H new ATOM 0 HA ILE A 11 76.567 -1.664 -14.289 1.00 0.00 H new ATOM 0 HB ILE A 11 78.544 -2.895 -12.302 1.00 0.00 H new ATOM 0 HG12 ILE A 11 77.282 -4.236 -14.743 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.852 -3.462 -14.815 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.733 -4.572 -11.919 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.186 -2.928 -11.512 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.680 -3.680 -13.043 1.00 0.00 H new ATOM 0 HD11 ILE A 11 79.091 -5.887 -14.344 1.00 0.00 H new ATOM 0 HD12 ILE A 11 79.673 -4.924 -12.965 1.00 0.00 H new ATOM 0 HD13 ILE A 11 78.078 -5.710 -12.892 1.00 0.00 H new ATOM 58 N MET A 12 75.741 -0.404 -12.291 1.00 0.00 N ATOM 59 CA MET A 12 75.274 0.558 -11.243 1.00 0.00 C ATOM 60 C MET A 12 73.961 0.073 -10.611 1.00 0.00 C ATOM 61 O MET A 12 72.951 -0.045 -11.282 1.00 0.00 O ATOM 62 CB MET A 12 75.091 1.903 -11.969 1.00 0.00 C ATOM 63 CG MET A 12 74.059 1.791 -13.101 1.00 0.00 C ATOM 64 SD MET A 12 74.226 3.210 -14.212 1.00 0.00 S ATOM 65 CE MET A 12 75.771 2.697 -15.002 1.00 0.00 C ATOM 0 H MET A 12 74.994 -0.857 -12.818 1.00 0.00 H new ATOM 0 HA MET A 12 75.987 0.649 -10.424 1.00 0.00 H new ATOM 0 HB2 MET A 12 74.771 2.663 -11.256 1.00 0.00 H new ATOM 0 HB3 MET A 12 76.047 2.231 -12.377 1.00 0.00 H new ATOM 0 HG2 MET A 12 74.209 0.863 -13.653 1.00 0.00 H new ATOM 0 HG3 MET A 12 73.051 1.756 -12.687 1.00 0.00 H new ATOM 0 HE1 MET A 12 75.713 2.889 -16.073 1.00 0.00 H new ATOM 0 HE2 MET A 12 76.602 3.260 -14.577 1.00 0.00 H new ATOM 0 HE3 MET A 12 75.930 1.632 -14.832 1.00 0.00 H new ATOM 75 N SER A 13 73.983 -0.206 -9.326 1.00 0.00 N ATOM 76 CA SER A 13 72.744 -0.638 -8.607 1.00 0.00 C ATOM 77 C SER A 13 72.571 0.176 -7.321 1.00 0.00 C ATOM 78 O SER A 13 73.536 0.667 -6.760 1.00 0.00 O ATOM 79 CB SER A 13 72.971 -2.114 -8.283 1.00 0.00 C ATOM 80 OG SER A 13 74.225 -2.267 -7.633 1.00 0.00 O ATOM 0 H SER A 13 74.817 -0.151 -8.741 1.00 0.00 H new ATOM 0 HA SER A 13 71.844 -0.486 -9.202 1.00 0.00 H new ATOM 0 HB2 SER A 13 72.170 -2.485 -7.644 1.00 0.00 H new ATOM 0 HB3 SER A 13 72.948 -2.706 -9.198 1.00 0.00 H new ATOM 0 HG SER A 13 74.515 -1.402 -7.274 1.00 0.00 H new ATOM 86 N GLU A 14 71.350 0.315 -6.855 1.00 0.00 N ATOM 87 CA GLU A 14 71.081 1.138 -5.636 1.00 0.00 C ATOM 88 C GLU A 14 69.823 0.640 -4.916 1.00 0.00 C ATOM 89 O GLU A 14 68.917 0.109 -5.534 1.00 0.00 O ATOM 90 CB GLU A 14 70.870 2.559 -6.160 1.00 0.00 C ATOM 91 CG GLU A 14 70.829 3.539 -4.986 1.00 0.00 C ATOM 92 CD GLU A 14 70.488 4.940 -5.498 1.00 0.00 C ATOM 93 OE1 GLU A 14 69.578 5.052 -6.303 1.00 0.00 O ATOM 94 OE2 GLU A 14 71.140 5.880 -5.073 1.00 0.00 O ATOM 0 H GLU A 14 70.523 -0.112 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 14 71.897 1.082 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 14 71.675 2.828 -6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.940 2.614 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 14 70.086 3.217 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 14 71.792 3.552 -4.476 1.00 0.00 H new ATOM 101 N LEU A 15 69.774 0.809 -3.613 1.00 0.00 N ATOM 102 CA LEU A 15 68.547 0.459 -2.833 1.00 0.00 C ATOM 103 C LEU A 15 68.170 1.613 -1.898 1.00 0.00 C ATOM 104 O LEU A 15 69.007 2.132 -1.179 1.00 0.00 O ATOM 105 CB LEU A 15 68.934 -0.783 -2.027 1.00 0.00 C ATOM 106 CG LEU A 15 67.686 -1.373 -1.366 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.818 -2.051 -2.426 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.106 -2.405 -0.316 1.00 0.00 C ATOM 0 H LEU A 15 70.542 1.179 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 15 67.685 0.276 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.397 -1.523 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.671 -0.522 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 15 67.118 -0.576 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 15 65.929 -2.471 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.519 -1.318 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.386 -2.849 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.218 -2.826 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.674 -3.202 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.725 -1.923 0.441 1.00 0.00 H new ATOM 120 N LYS A 16 66.918 2.014 -1.911 1.00 0.00 N ATOM 121 CA LYS A 16 66.452 3.107 -1.002 1.00 0.00 C ATOM 122 C LYS A 16 65.574 2.539 0.115 1.00 0.00 C ATOM 123 O LYS A 16 64.690 1.738 -0.132 1.00 0.00 O ATOM 124 CB LYS A 16 65.636 4.050 -1.891 1.00 0.00 C ATOM 125 CG LYS A 16 66.567 5.062 -2.572 1.00 0.00 C ATOM 126 CD LYS A 16 65.806 6.363 -2.835 1.00 0.00 C ATOM 127 CE LYS A 16 66.676 7.302 -3.674 1.00 0.00 C ATOM 128 NZ LYS A 16 66.180 8.671 -3.352 1.00 0.00 N ATOM 0 H LYS A 16 66.196 1.626 -2.518 1.00 0.00 H new ATOM 0 HA LYS A 16 67.287 3.617 -0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 16 65.095 3.477 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.891 4.574 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 16 67.433 5.257 -1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.942 4.652 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 16 64.872 6.152 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 16 65.543 6.840 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 16 67.731 7.194 -3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 16 66.579 7.086 -4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.727 9.374 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 65.175 8.745 -3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 66.292 8.850 -2.334 1.00 0.00 H new ATOM 142 N LEU A 17 65.817 2.961 1.338 1.00 0.00 N ATOM 143 CA LEU A 17 65.044 2.430 2.506 1.00 0.00 C ATOM 144 C LEU A 17 64.416 3.585 3.292 1.00 0.00 C ATOM 145 O LEU A 17 64.909 4.699 3.263 1.00 0.00 O ATOM 146 CB LEU A 17 66.068 1.697 3.386 1.00 0.00 C ATOM 147 CG LEU A 17 66.701 0.525 2.624 1.00 0.00 C ATOM 148 CD1 LEU A 17 67.839 -0.062 3.462 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.650 -0.558 2.365 1.00 0.00 C ATOM 0 H LEU A 17 66.524 3.656 1.576 1.00 0.00 H new ATOM 0 HA LEU A 17 64.237 1.771 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 17 66.845 2.392 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.581 1.329 4.289 1.00 0.00 H new ATOM 0 HG LEU A 17 67.088 0.882 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.293 -0.895 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.591 0.706 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 17 67.445 -0.415 4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.107 -1.386 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.257 -0.918 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.837 -0.141 1.771 1.00 0.00 H new ATOM 161 N LYS A 18 63.334 3.319 3.989 1.00 0.00 N ATOM 162 CA LYS A 18 62.745 4.337 4.916 1.00 0.00 C ATOM 163 C LYS A 18 62.495 3.706 6.301 1.00 0.00 C ATOM 164 O LYS A 18 62.068 2.567 6.362 1.00 0.00 O ATOM 165 CB LYS A 18 61.421 4.745 4.266 1.00 0.00 C ATOM 166 CG LYS A 18 60.830 5.942 5.016 1.00 0.00 C ATOM 167 CD LYS A 18 59.445 6.267 4.448 1.00 0.00 C ATOM 168 CE LYS A 18 58.937 7.574 5.059 1.00 0.00 C ATOM 169 NZ LYS A 18 57.948 8.098 4.075 1.00 0.00 N ATOM 0 H LYS A 18 62.831 2.432 3.954 1.00 0.00 H new ATOM 0 HA LYS A 18 63.404 5.192 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.582 5.002 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.722 3.909 4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.755 5.717 6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.487 6.806 4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 18 59.497 6.356 3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 18 58.751 5.456 4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 18 58.474 7.402 6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 18 59.752 8.281 5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 57.554 8.995 4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 58.419 8.258 3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 57.180 7.407 3.953 1.00 0.00 H new ATOM 183 N PRO A 19 62.761 4.445 7.372 1.00 0.00 N ATOM 184 CA PRO A 19 62.511 3.907 8.738 1.00 0.00 C ATOM 185 C PRO A 19 61.013 3.936 9.056 1.00 0.00 C ATOM 186 O PRO A 19 60.324 4.886 8.724 1.00 0.00 O ATOM 187 CB PRO A 19 63.277 4.862 9.651 1.00 0.00 C ATOM 188 CG PRO A 19 63.330 6.153 8.901 1.00 0.00 C ATOM 189 CD PRO A 19 63.311 5.818 7.433 1.00 0.00 C ATOM 0 HA PRO A 19 62.829 2.871 8.853 1.00 0.00 H new ATOM 0 HB2 PRO A 19 62.772 4.983 10.609 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.278 4.487 9.863 1.00 0.00 H new ATOM 0 HG2 PRO A 19 62.481 6.785 9.162 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.232 6.709 9.157 1.00 0.00 H new ATOM 0 HD2 PRO A 19 62.691 6.519 6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.311 5.864 7.003 1.00 0.00 H new ATOM 197 N LEU A 20 60.512 2.901 9.692 1.00 0.00 N ATOM 198 CA LEU A 20 59.076 2.885 10.128 1.00 0.00 C ATOM 199 C LEU A 20 58.830 3.636 11.472 1.00 0.00 C ATOM 200 O LEU A 20 57.909 4.434 11.495 1.00 0.00 O ATOM 201 CB LEU A 20 58.652 1.406 10.180 1.00 0.00 C ATOM 202 CG LEU A 20 58.568 0.850 8.757 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.470 -0.675 8.810 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.329 1.416 8.060 1.00 0.00 C ATOM 0 H LEU A 20 61.040 2.061 9.929 1.00 0.00 H new ATOM 0 HA LEU A 20 58.461 3.436 9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.370 0.831 10.765 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.687 1.310 10.677 1.00 0.00 H new ATOM 0 HG LEU A 20 59.461 1.138 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.410 -1.071 7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.352 -1.079 9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.578 -0.963 9.365 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.269 1.020 7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.436 1.129 8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.398 2.503 8.021 1.00 0.00 H new ATOM 216 N PRO A 21 59.597 3.412 12.561 1.00 0.00 N ATOM 217 CA PRO A 21 59.495 4.345 13.725 1.00 0.00 C ATOM 218 C PRO A 21 60.079 5.714 13.355 1.00 0.00 C ATOM 219 O PRO A 21 60.746 5.852 12.343 1.00 0.00 O ATOM 220 CB PRO A 21 60.324 3.679 14.825 1.00 0.00 C ATOM 221 CG PRO A 21 61.274 2.789 14.101 1.00 0.00 C ATOM 222 CD PRO A 21 60.571 2.332 12.856 1.00 0.00 C ATOM 0 HA PRO A 21 58.465 4.518 14.038 1.00 0.00 H new ATOM 0 HB2 PRO A 21 60.854 4.420 15.424 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.692 3.111 15.507 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.192 3.322 13.854 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.556 1.938 14.721 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.272 2.194 12.033 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.069 1.377 13.011 1.00 0.00 H new ATOM 230 N LYS A 22 59.831 6.716 14.170 1.00 0.00 N ATOM 231 CA LYS A 22 60.363 8.088 13.882 1.00 0.00 C ATOM 232 C LYS A 22 61.810 8.204 14.380 1.00 0.00 C ATOM 233 O LYS A 22 62.061 8.638 15.492 1.00 0.00 O ATOM 234 CB LYS A 22 59.443 9.056 14.637 1.00 0.00 C ATOM 235 CG LYS A 22 58.043 9.017 14.022 1.00 0.00 C ATOM 236 CD LYS A 22 57.152 10.050 14.714 1.00 0.00 C ATOM 237 CE LYS A 22 55.719 9.922 14.190 1.00 0.00 C ATOM 238 NZ LYS A 22 55.712 10.677 12.906 1.00 0.00 N ATOM 0 H LYS A 22 59.281 6.641 15.025 1.00 0.00 H new ATOM 0 HA LYS A 22 60.375 8.309 12.815 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.396 8.782 15.691 1.00 0.00 H new ATOM 0 HB3 LYS A 22 59.845 10.068 14.588 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.098 9.226 12.954 1.00 0.00 H new ATOM 0 HG3 LYS A 22 57.614 8.021 14.130 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.171 9.897 15.793 1.00 0.00 H new ATOM 0 HD3 LYS A 22 57.530 11.055 14.528 1.00 0.00 H new ATOM 0 HE2 LYS A 22 55.446 8.878 14.036 1.00 0.00 H new ATOM 0 HE3 LYS A 22 55.001 10.338 14.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 55.124 11.529 13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 56.684 10.954 12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 55.323 10.076 12.152 1.00 0.00 H new ATOM 252 N VAL A 23 62.758 7.814 13.555 1.00 0.00 N ATOM 253 CA VAL A 23 64.201 7.895 13.945 1.00 0.00 C ATOM 254 C VAL A 23 65.068 8.199 12.711 1.00 0.00 C ATOM 255 O VAL A 23 64.812 7.695 11.631 1.00 0.00 O ATOM 256 CB VAL A 23 64.527 6.519 14.565 1.00 0.00 C ATOM 257 CG1 VAL A 23 64.344 5.391 13.539 1.00 0.00 C ATOM 258 CG2 VAL A 23 65.972 6.509 15.077 1.00 0.00 C ATOM 0 H VAL A 23 62.589 7.440 12.621 1.00 0.00 H new ATOM 0 HA VAL A 23 64.404 8.697 14.654 1.00 0.00 H new ATOM 0 HB VAL A 23 63.838 6.350 15.393 1.00 0.00 H new ATOM 0 HG11 VAL A 23 64.581 4.434 14.004 1.00 0.00 H new ATOM 0 HG12 VAL A 23 63.311 5.380 13.191 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.010 5.558 12.692 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.197 5.536 15.513 1.00 0.00 H new ATOM 0 HG22 VAL A 23 66.653 6.701 14.248 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.095 7.283 15.834 1.00 0.00 H new ATOM 268 N GLU A 24 66.084 9.017 12.878 1.00 0.00 N ATOM 269 CA GLU A 24 67.026 9.315 11.756 1.00 0.00 C ATOM 270 C GLU A 24 68.438 8.845 12.117 1.00 0.00 C ATOM 271 O GLU A 24 69.017 9.305 13.086 1.00 0.00 O ATOM 272 CB GLU A 24 66.990 10.838 11.605 1.00 0.00 C ATOM 273 CG GLU A 24 67.742 11.247 10.336 1.00 0.00 C ATOM 274 CD GLU A 24 67.823 12.773 10.257 1.00 0.00 C ATOM 275 OE1 GLU A 24 68.129 13.385 11.268 1.00 0.00 O ATOM 276 OE2 GLU A 24 67.577 13.303 9.186 1.00 0.00 O ATOM 0 H GLU A 24 66.300 9.494 13.754 1.00 0.00 H new ATOM 0 HA GLU A 24 66.747 8.807 10.833 1.00 0.00 H new ATOM 0 HB2 GLU A 24 65.958 11.184 11.555 1.00 0.00 H new ATOM 0 HB3 GLU A 24 67.443 11.311 12.476 1.00 0.00 H new ATOM 0 HG2 GLU A 24 68.745 10.819 10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 24 67.232 10.854 9.456 1.00 0.00 H new ATOM 283 N LEU A 25 68.985 7.933 11.343 1.00 0.00 N ATOM 284 CA LEU A 25 70.340 7.375 11.656 1.00 0.00 C ATOM 285 C LEU A 25 71.430 8.167 10.910 1.00 0.00 C ATOM 286 O LEU A 25 71.233 8.508 9.759 1.00 0.00 O ATOM 287 CB LEU A 25 70.300 5.927 11.160 1.00 0.00 C ATOM 288 CG LEU A 25 69.474 5.076 12.126 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.175 3.719 11.484 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.261 4.865 13.422 1.00 0.00 C ATOM 0 H LEU A 25 68.547 7.551 10.505 1.00 0.00 H new ATOM 0 HA LEU A 25 70.573 7.437 12.719 1.00 0.00 H new ATOM 0 HB2 LEU A 25 69.866 5.886 10.161 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.312 5.530 11.084 1.00 0.00 H new ATOM 0 HG LEU A 25 68.537 5.587 12.349 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.586 3.113 12.172 1.00 0.00 H new ATOM 0 HD12 LEU A 25 68.614 3.869 10.562 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.111 3.208 11.260 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.672 4.259 14.110 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.198 4.355 13.200 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.473 5.831 13.880 1.00 0.00 H new ATOM 302 N PRO A 26 72.553 8.447 11.569 1.00 0.00 N ATOM 303 CA PRO A 26 73.689 9.147 10.888 1.00 0.00 C ATOM 304 C PRO A 26 74.200 8.346 9.668 1.00 0.00 C ATOM 305 O PRO A 26 73.896 7.174 9.547 1.00 0.00 O ATOM 306 CB PRO A 26 74.770 9.231 11.969 1.00 0.00 C ATOM 307 CG PRO A 26 74.030 9.100 13.257 1.00 0.00 C ATOM 308 CD PRO A 26 72.884 8.171 12.983 1.00 0.00 C ATOM 0 HA PRO A 26 73.397 10.122 10.498 1.00 0.00 H new ATOM 0 HB2 PRO A 26 75.508 8.437 11.854 1.00 0.00 H new ATOM 0 HB3 PRO A 26 75.309 10.177 11.917 1.00 0.00 H new ATOM 0 HG2 PRO A 26 74.676 8.702 14.040 1.00 0.00 H new ATOM 0 HG3 PRO A 26 73.672 10.070 13.602 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.166 7.129 13.134 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.038 8.371 13.641 1.00 0.00 H new ATOM 316 N PRO A 27 74.961 8.999 8.799 1.00 0.00 N ATOM 317 CA PRO A 27 75.389 8.362 7.513 1.00 0.00 C ATOM 318 C PRO A 27 76.347 7.175 7.724 1.00 0.00 C ATOM 319 O PRO A 27 76.643 6.468 6.778 1.00 0.00 O ATOM 320 CB PRO A 27 76.101 9.499 6.762 1.00 0.00 C ATOM 321 CG PRO A 27 75.667 10.747 7.454 1.00 0.00 C ATOM 322 CD PRO A 27 75.492 10.372 8.894 1.00 0.00 C ATOM 0 HA PRO A 27 74.539 7.943 6.974 1.00 0.00 H new ATOM 0 HB2 PRO A 27 77.184 9.381 6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.820 9.513 5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 27 76.411 11.536 7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 27 74.736 11.125 7.032 1.00 0.00 H new ATOM 0 HD2 PRO A 27 76.434 10.407 9.441 1.00 0.00 H new ATOM 0 HD3 PRO A 27 74.801 11.041 9.407 1.00 0.00 H new ATOM 330 N ASP A 28 76.839 6.953 8.928 1.00 0.00 N ATOM 331 CA ASP A 28 77.755 5.785 9.167 1.00 0.00 C ATOM 332 C ASP A 28 76.954 4.475 9.254 1.00 0.00 C ATOM 333 O ASP A 28 77.458 3.415 8.917 1.00 0.00 O ATOM 334 CB ASP A 28 78.504 6.079 10.482 1.00 0.00 C ATOM 335 CG ASP A 28 77.527 6.240 11.653 1.00 0.00 C ATOM 336 OD1 ASP A 28 76.858 5.273 11.980 1.00 0.00 O ATOM 337 OD2 ASP A 28 77.468 7.326 12.205 1.00 0.00 O ATOM 0 H ASP A 28 76.646 7.527 9.749 1.00 0.00 H new ATOM 0 HA ASP A 28 78.460 5.658 8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.201 5.269 10.695 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.096 6.988 10.371 1.00 0.00 H new ATOM 342 N PHE A 29 75.714 4.541 9.695 1.00 0.00 N ATOM 343 CA PHE A 29 74.877 3.296 9.834 1.00 0.00 C ATOM 344 C PHE A 29 74.717 2.583 8.486 1.00 0.00 C ATOM 345 O PHE A 29 74.853 1.378 8.405 1.00 0.00 O ATOM 346 CB PHE A 29 73.511 3.756 10.363 1.00 0.00 C ATOM 347 CG PHE A 29 73.428 3.756 11.870 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.053 4.797 12.622 1.00 0.00 C ATOM 349 CD2 PHE A 29 72.724 2.710 12.542 1.00 0.00 C ATOM 350 CE1 PHE A 29 73.974 4.792 14.049 1.00 0.00 C ATOM 351 CE2 PHE A 29 72.644 2.706 13.969 1.00 0.00 C ATOM 352 CZ PHE A 29 73.269 3.746 14.723 1.00 0.00 C ATOM 0 H PHE A 29 75.244 5.405 9.965 1.00 0.00 H new ATOM 0 HA PHE A 29 75.350 2.583 10.510 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.305 4.761 9.994 1.00 0.00 H new ATOM 0 HB3 PHE A 29 72.735 3.104 9.963 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.585 5.587 12.113 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.253 1.923 11.972 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.447 5.578 14.619 1.00 0.00 H new ATOM 0 HE2 PHE A 29 72.111 1.916 14.477 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.209 3.742 15.801 1.00 0.00 H new ATOM 362 N VAL A 30 74.444 3.323 7.431 1.00 0.00 N ATOM 363 CA VAL A 30 74.089 2.683 6.113 1.00 0.00 C ATOM 364 C VAL A 30 75.233 1.768 5.625 1.00 0.00 C ATOM 365 O VAL A 30 74.994 0.753 4.995 1.00 0.00 O ATOM 366 CB VAL A 30 73.819 3.850 5.136 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.088 4.681 4.904 1.00 0.00 C ATOM 368 CG2 VAL A 30 73.315 3.296 3.800 1.00 0.00 C ATOM 0 H VAL A 30 74.451 4.343 7.424 1.00 0.00 H new ATOM 0 HA VAL A 30 73.212 2.041 6.194 1.00 0.00 H new ATOM 0 HB VAL A 30 73.061 4.498 5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 30 74.869 5.495 4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 30 75.431 5.093 5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 30 75.867 4.046 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 30 73.125 4.120 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.068 2.634 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 30 72.392 2.739 3.962 1.00 0.00 H new ATOM 378 N ASP A 31 76.461 2.132 5.928 1.00 0.00 N ATOM 379 CA ASP A 31 77.632 1.277 5.538 1.00 0.00 C ATOM 380 C ASP A 31 77.643 -0.008 6.373 1.00 0.00 C ATOM 381 O ASP A 31 77.886 -1.083 5.855 1.00 0.00 O ATOM 382 CB ASP A 31 78.883 2.113 5.829 1.00 0.00 C ATOM 383 CG ASP A 31 78.914 3.332 4.902 1.00 0.00 C ATOM 384 OD1 ASP A 31 78.656 3.161 3.722 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.195 4.414 5.389 1.00 0.00 O ATOM 0 H ASP A 31 76.702 2.987 6.430 1.00 0.00 H new ATOM 0 HA ASP A 31 77.586 0.985 4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 31 78.883 2.435 6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 31 79.778 1.509 5.682 1.00 0.00 H new ATOM 390 N VAL A 32 77.374 0.103 7.656 1.00 0.00 N ATOM 391 CA VAL A 32 77.423 -1.103 8.556 1.00 0.00 C ATOM 392 C VAL A 32 76.270 -2.055 8.197 1.00 0.00 C ATOM 393 O VAL A 32 76.440 -3.262 8.188 1.00 0.00 O ATOM 394 CB VAL A 32 77.286 -0.576 10.001 1.00 0.00 C ATOM 395 CG1 VAL A 32 77.360 -1.738 11.000 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.422 0.406 10.312 1.00 0.00 C ATOM 0 H VAL A 32 77.123 0.976 8.120 1.00 0.00 H new ATOM 0 HA VAL A 32 78.353 -1.661 8.444 1.00 0.00 H new ATOM 0 HB VAL A 32 76.323 -0.073 10.091 1.00 0.00 H new ATOM 0 HG11 VAL A 32 77.262 -1.352 12.015 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.552 -2.442 10.800 1.00 0.00 H new ATOM 0 HG13 VAL A 32 78.318 -2.247 10.896 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.317 0.772 11.333 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.381 -0.101 10.205 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.377 1.246 9.619 1.00 0.00 H new ATOM 406 N ILE A 33 75.108 -1.515 7.899 1.00 0.00 N ATOM 407 CA ILE A 33 73.941 -2.368 7.473 1.00 0.00 C ATOM 408 C ILE A 33 74.271 -3.085 6.149 1.00 0.00 C ATOM 409 O ILE A 33 73.978 -4.255 5.987 1.00 0.00 O ATOM 410 CB ILE A 33 72.747 -1.396 7.313 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.422 -0.715 8.663 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.500 -2.134 6.796 1.00 0.00 C ATOM 413 CD1 ILE A 33 72.040 -1.742 9.740 1.00 0.00 C ATOM 0 H ILE A 33 74.915 -0.514 7.932 1.00 0.00 H new ATOM 0 HA ILE A 33 73.709 -3.147 8.199 1.00 0.00 H new ATOM 0 HB ILE A 33 73.031 -0.637 6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.286 -0.140 8.998 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.603 -0.009 8.527 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.676 -1.428 6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.718 -2.582 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.221 -2.916 7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.819 -1.225 10.674 1.00 0.00 H new ATOM 0 HD12 ILE A 33 71.161 -2.299 9.416 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.869 -2.432 9.895 1.00 0.00 H new ATOM 425 N ARG A 34 74.877 -2.384 5.214 1.00 0.00 N ATOM 426 CA ARG A 34 75.270 -3.013 3.901 1.00 0.00 C ATOM 427 C ARG A 34 76.219 -4.203 4.116 1.00 0.00 C ATOM 428 O ARG A 34 76.088 -5.226 3.469 1.00 0.00 O ATOM 429 CB ARG A 34 75.978 -1.912 3.103 1.00 0.00 C ATOM 430 CG ARG A 34 76.174 -2.369 1.656 1.00 0.00 C ATOM 431 CD ARG A 34 76.806 -1.236 0.842 1.00 0.00 C ATOM 432 NE ARG A 34 78.210 -1.098 1.358 1.00 0.00 N ATOM 433 CZ ARG A 34 78.908 0.018 1.216 1.00 0.00 C ATOM 434 NH1 ARG A 34 78.433 1.079 0.600 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.118 0.064 1.700 1.00 0.00 N ATOM 0 H ARG A 34 75.119 -1.397 5.303 1.00 0.00 H new ATOM 0 HA ARG A 34 74.395 -3.399 3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.389 -0.995 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 34 76.943 -1.684 3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.812 -3.252 1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.216 -2.653 1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 34 76.801 -1.469 -0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.250 -0.307 0.967 1.00 0.00 H new ATOM 0 HE ARG A 34 78.640 -1.891 1.834 1.00 0.00 H new ATOM 0 HH11 ARG A 34 77.491 1.063 0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 34 79.006 1.918 0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.508 -0.749 2.176 1.00 0.00 H new ATOM 0 HH22 ARG A 34 80.674 0.913 1.602 1.00 0.00 H new ATOM 449 N ILE A 35 77.163 -4.070 5.023 1.00 0.00 N ATOM 450 CA ILE A 35 78.146 -5.182 5.286 1.00 0.00 C ATOM 451 C ILE A 35 77.415 -6.402 5.874 1.00 0.00 C ATOM 452 O ILE A 35 77.694 -7.529 5.506 1.00 0.00 O ATOM 453 CB ILE A 35 79.177 -4.607 6.283 1.00 0.00 C ATOM 454 CG1 ILE A 35 79.913 -3.427 5.640 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.210 -5.673 6.671 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.606 -2.602 6.726 1.00 0.00 C ATOM 0 H ILE A 35 77.297 -3.237 5.596 1.00 0.00 H new ATOM 0 HA ILE A 35 78.638 -5.521 4.374 1.00 0.00 H new ATOM 0 HB ILE A 35 78.643 -4.281 7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.647 -3.791 4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.209 -2.803 5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.926 -5.247 7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.703 -6.518 7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.735 -6.012 5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.129 -1.763 6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.862 -2.226 7.428 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.322 -3.229 7.258 1.00 0.00 H new ATOM 468 N LYS A 36 76.495 -6.177 6.784 1.00 0.00 N ATOM 469 CA LYS A 36 75.717 -7.313 7.388 1.00 0.00 C ATOM 470 C LYS A 36 74.824 -7.986 6.337 1.00 0.00 C ATOM 471 O LYS A 36 74.757 -9.200 6.266 1.00 0.00 O ATOM 472 CB LYS A 36 74.854 -6.693 8.495 1.00 0.00 C ATOM 473 CG LYS A 36 75.753 -6.133 9.601 1.00 0.00 C ATOM 474 CD LYS A 36 76.383 -7.287 10.383 1.00 0.00 C ATOM 475 CE LYS A 36 77.129 -6.732 11.599 1.00 0.00 C ATOM 476 NZ LYS A 36 77.751 -7.922 12.244 1.00 0.00 N ATOM 0 H LYS A 36 76.247 -5.253 7.137 1.00 0.00 H new ATOM 0 HA LYS A 36 76.385 -8.081 7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.232 -5.899 8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 36 74.180 -7.444 8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 36 76.532 -5.506 9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 36 75.171 -5.501 10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 36 75.611 -7.987 10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 36 77.070 -7.842 9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 36 77.884 -6.005 11.301 1.00 0.00 H new ATOM 0 HE3 LYS A 36 76.448 -6.223 12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 78.281 -7.622 13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 77.008 -8.594 12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 78.399 -8.382 11.573 1.00 0.00 H new ATOM 490 N LEU A 37 74.146 -7.205 5.528 1.00 0.00 N ATOM 491 CA LEU A 37 73.031 -7.753 4.685 1.00 0.00 C ATOM 492 C LEU A 37 73.518 -8.198 3.297 1.00 0.00 C ATOM 493 O LEU A 37 72.887 -9.028 2.668 1.00 0.00 O ATOM 494 CB LEU A 37 72.031 -6.602 4.548 1.00 0.00 C ATOM 495 CG LEU A 37 71.348 -6.353 5.894 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.579 -5.032 5.839 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.372 -7.494 6.191 1.00 0.00 C ATOM 0 H LEU A 37 74.317 -6.206 5.414 1.00 0.00 H new ATOM 0 HA LEU A 37 72.596 -8.639 5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.544 -5.699 4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.286 -6.842 3.790 1.00 0.00 H new ATOM 0 HG LEU A 37 72.103 -6.305 6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.092 -4.854 6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.271 -4.217 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 37 69.825 -5.082 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.886 -7.316 7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.618 -7.542 5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.916 -8.438 6.230 1.00 0.00 H new ATOM 509 N GLN A 38 74.624 -7.660 2.815 1.00 0.00 N ATOM 510 CA GLN A 38 75.094 -7.950 1.404 1.00 0.00 C ATOM 511 C GLN A 38 75.144 -9.459 1.102 1.00 0.00 C ATOM 512 O GLN A 38 75.382 -10.267 1.983 1.00 0.00 O ATOM 513 CB GLN A 38 76.501 -7.333 1.280 1.00 0.00 C ATOM 514 CG GLN A 38 77.453 -7.910 2.336 1.00 0.00 C ATOM 515 CD GLN A 38 78.900 -7.778 1.856 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.470 -8.720 1.342 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.522 -6.640 2.000 1.00 0.00 N ATOM 0 H GLN A 38 75.227 -7.027 3.340 1.00 0.00 H new ATOM 0 HA GLN A 38 74.396 -7.523 0.684 1.00 0.00 H new ATOM 0 HB2 GLN A 38 76.899 -7.525 0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.438 -6.251 1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.324 -7.383 3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.215 -8.958 2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 38 79.044 -5.849 2.431 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.486 -6.542 1.681 1.00 0.00 H new ATOM 526 N GLY A 39 74.921 -9.825 -0.140 1.00 0.00 N ATOM 527 CA GLY A 39 74.788 -11.269 -0.511 1.00 0.00 C ATOM 528 C GLY A 39 73.310 -11.680 -0.565 1.00 0.00 C ATOM 529 O GLY A 39 72.956 -12.605 -1.276 1.00 0.00 O ATOM 0 H GLY A 39 74.825 -9.175 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.256 -11.446 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.316 -11.887 0.215 1.00 0.00 H new ATOM 533 N LYS A 40 72.451 -11.008 0.175 1.00 0.00 N ATOM 534 CA LYS A 40 70.981 -11.293 0.095 1.00 0.00 C ATOM 535 C LYS A 40 70.335 -10.432 -0.995 1.00 0.00 C ATOM 536 O LYS A 40 70.841 -9.376 -1.336 1.00 0.00 O ATOM 537 CB LYS A 40 70.417 -10.927 1.471 1.00 0.00 C ATOM 538 CG LYS A 40 70.961 -11.897 2.522 1.00 0.00 C ATOM 539 CD LYS A 40 70.307 -11.603 3.874 1.00 0.00 C ATOM 540 CE LYS A 40 70.940 -12.488 4.951 1.00 0.00 C ATOM 541 NZ LYS A 40 72.183 -11.771 5.353 1.00 0.00 N ATOM 0 H LYS A 40 72.709 -10.272 0.832 1.00 0.00 H new ATOM 0 HA LYS A 40 70.781 -12.334 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.692 -9.904 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.328 -10.969 1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 40 70.757 -12.925 2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.044 -11.796 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.435 -10.551 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.234 -11.789 3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 40 70.268 -12.620 5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 40 71.165 -13.482 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 72.950 -12.459 5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 72.454 -11.100 4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 72.014 -11.253 6.239 1.00 0.00 H new ATOM 555 N THR A 41 69.225 -10.883 -1.537 1.00 0.00 N ATOM 556 CA THR A 41 68.519 -10.110 -2.604 1.00 0.00 C ATOM 557 C THR A 41 67.331 -9.348 -2.010 1.00 0.00 C ATOM 558 O THR A 41 66.738 -9.777 -1.035 1.00 0.00 O ATOM 559 CB THR A 41 68.033 -11.164 -3.600 1.00 0.00 C ATOM 560 OG1 THR A 41 69.112 -12.025 -3.939 1.00 0.00 O ATOM 561 CG2 THR A 41 67.514 -10.475 -4.863 1.00 0.00 C ATOM 0 H THR A 41 68.777 -11.763 -1.281 1.00 0.00 H new ATOM 0 HA THR A 41 69.167 -9.371 -3.074 1.00 0.00 H new ATOM 0 HB THR A 41 67.229 -11.746 -3.150 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.802 -12.702 -4.576 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.168 -11.227 -5.572 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.687 -9.814 -4.603 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.316 -9.892 -5.315 1.00 0.00 H new ATOM 569 N VAL A 42 66.990 -8.223 -2.598 1.00 0.00 N ATOM 570 CA VAL A 42 65.892 -7.363 -2.047 1.00 0.00 C ATOM 571 C VAL A 42 64.907 -6.976 -3.156 1.00 0.00 C ATOM 572 O VAL A 42 65.296 -6.768 -4.294 1.00 0.00 O ATOM 573 CB VAL A 42 66.579 -6.112 -1.462 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.476 -6.521 -0.291 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.433 -5.401 -2.525 1.00 0.00 C ATOM 0 H VAL A 42 67.430 -7.861 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 42 65.318 -7.889 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 42 65.804 -5.426 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 42 67.961 -5.637 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.872 -6.997 0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.235 -7.221 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.905 -4.523 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.202 -6.082 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.798 -5.093 -3.356 1.00 0.00 H new ATOM 585 N ARG A 43 63.639 -6.887 -2.820 1.00 0.00 N ATOM 586 CA ARG A 43 62.615 -6.372 -3.779 1.00 0.00 C ATOM 587 C ARG A 43 61.723 -5.337 -3.084 1.00 0.00 C ATOM 588 O ARG A 43 61.474 -5.426 -1.894 1.00 0.00 O ATOM 589 CB ARG A 43 61.789 -7.598 -4.177 1.00 0.00 C ATOM 590 CG ARG A 43 62.652 -8.557 -4.998 1.00 0.00 C ATOM 591 CD ARG A 43 61.801 -9.752 -5.444 1.00 0.00 C ATOM 592 NE ARG A 43 62.778 -10.818 -5.854 1.00 0.00 N ATOM 593 CZ ARG A 43 62.450 -11.794 -6.684 1.00 0.00 C ATOM 594 NH1 ARG A 43 61.244 -11.921 -7.194 1.00 0.00 N ATOM 595 NH2 ARG A 43 63.360 -12.674 -7.004 1.00 0.00 N ATOM 0 H ARG A 43 63.269 -7.154 -1.908 1.00 0.00 H new ATOM 0 HA ARG A 43 63.067 -5.885 -4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 43 61.416 -8.102 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 43 60.919 -7.290 -4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 43 63.060 -8.042 -5.868 1.00 0.00 H new ATOM 0 HG3 ARG A 43 63.499 -8.901 -4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 43 61.160 -10.100 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 43 61.148 -9.480 -6.273 1.00 0.00 H new ATOM 0 HE ARG A 43 63.726 -10.788 -5.479 1.00 0.00 H new ATOM 0 HH11 ARG A 43 60.515 -11.250 -6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 43 61.038 -12.691 -7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 43 64.300 -12.600 -6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 43 63.131 -13.436 -7.642 1.00 0.00 H new ATOM 609 N THR A 44 61.237 -4.361 -3.823 1.00 0.00 N ATOM 610 CA THR A 44 60.380 -3.275 -3.217 1.00 0.00 C ATOM 611 C THR A 44 59.168 -3.860 -2.476 1.00 0.00 C ATOM 612 O THR A 44 58.535 -4.786 -2.952 1.00 0.00 O ATOM 613 CB THR A 44 59.903 -2.420 -4.399 1.00 0.00 C ATOM 614 OG1 THR A 44 61.009 -2.106 -5.232 1.00 0.00 O ATOM 615 CG2 THR A 44 59.274 -1.127 -3.876 1.00 0.00 C ATOM 0 H THR A 44 61.397 -4.267 -4.826 1.00 0.00 H new ATOM 0 HA THR A 44 60.945 -2.698 -2.485 1.00 0.00 H new ATOM 0 HB THR A 44 59.162 -2.976 -4.973 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.705 -1.561 -5.988 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.936 -0.521 -4.717 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.424 -1.368 -3.237 1.00 0.00 H new ATOM 0 HG23 THR A 44 60.013 -0.569 -3.301 1.00 0.00 H new ATOM 623 N GLY A 45 58.855 -3.322 -1.318 1.00 0.00 N ATOM 624 CA GLY A 45 57.648 -3.775 -0.557 1.00 0.00 C ATOM 625 C GLY A 45 58.027 -4.760 0.561 1.00 0.00 C ATOM 626 O GLY A 45 57.243 -4.977 1.469 1.00 0.00 O ATOM 0 H GLY A 45 59.391 -2.581 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.142 -2.911 -0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.943 -4.250 -1.239 1.00 0.00 H new ATOM 630 N ASP A 46 59.206 -5.354 0.511 1.00 0.00 N ATOM 631 CA ASP A 46 59.633 -6.299 1.604 1.00 0.00 C ATOM 632 C ASP A 46 59.773 -5.561 2.940 1.00 0.00 C ATOM 633 O ASP A 46 60.055 -4.376 2.972 1.00 0.00 O ATOM 634 CB ASP A 46 60.994 -6.861 1.177 1.00 0.00 C ATOM 635 CG ASP A 46 60.818 -7.811 -0.011 1.00 0.00 C ATOM 636 OD1 ASP A 46 59.862 -8.568 -0.011 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.653 -7.770 -0.900 1.00 0.00 O ATOM 0 H ASP A 46 59.887 -5.225 -0.237 1.00 0.00 H new ATOM 0 HA ASP A 46 58.894 -7.088 1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.664 -6.046 0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.456 -7.389 2.011 1.00 0.00 H new ATOM 642 N VAL A 47 59.580 -6.264 4.034 1.00 0.00 N ATOM 643 CA VAL A 47 59.765 -5.654 5.390 1.00 0.00 C ATOM 644 C VAL A 47 60.680 -6.562 6.223 1.00 0.00 C ATOM 645 O VAL A 47 60.453 -7.756 6.314 1.00 0.00 O ATOM 646 CB VAL A 47 58.354 -5.573 6.009 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.422 -4.951 7.411 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.442 -4.698 5.140 1.00 0.00 C ATOM 0 H VAL A 47 59.299 -7.245 4.043 1.00 0.00 H new ATOM 0 HA VAL A 47 60.226 -4.667 5.349 1.00 0.00 H new ATOM 0 HB VAL A 47 57.955 -6.585 6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.419 -4.900 7.835 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.056 -5.565 8.051 1.00 0.00 H new ATOM 0 HG13 VAL A 47 58.839 -3.946 7.343 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.450 -4.649 5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 47 57.859 -3.693 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.368 -5.129 4.141 1.00 0.00 H new ATOM 658 N ILE A 48 61.706 -5.999 6.823 1.00 0.00 N ATOM 659 CA ILE A 48 62.628 -6.808 7.686 1.00 0.00 C ATOM 660 C ILE A 48 62.987 -6.032 8.958 1.00 0.00 C ATOM 661 O ILE A 48 63.049 -4.815 8.951 1.00 0.00 O ATOM 662 CB ILE A 48 63.880 -7.107 6.834 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.561 -5.808 6.353 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.477 -7.953 5.621 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.610 -5.350 7.373 1.00 0.00 C ATOM 0 H ILE A 48 61.944 -5.010 6.751 1.00 0.00 H new ATOM 0 HA ILE A 48 62.159 -7.737 8.010 1.00 0.00 H new ATOM 0 HB ILE A 48 64.592 -7.651 7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.033 -5.974 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 48 63.813 -5.027 6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.359 -8.166 5.017 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.035 -8.890 5.961 1.00 0.00 H new ATOM 0 HG23 ILE A 48 62.750 -7.406 5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.083 -4.433 7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.128 -5.165 8.333 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.366 -6.126 7.491 1.00 0.00 H new ATOM 677 N GLY A 49 63.213 -6.737 10.046 1.00 0.00 N ATOM 678 CA GLY A 49 63.541 -6.071 11.345 1.00 0.00 C ATOM 679 C GLY A 49 65.000 -6.352 11.712 1.00 0.00 C ATOM 680 O GLY A 49 65.480 -7.460 11.548 1.00 0.00 O ATOM 0 H GLY A 49 63.183 -7.756 10.086 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.376 -4.996 11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 49 62.881 -6.438 12.131 1.00 0.00 H new ATOM 684 N ILE A 50 65.699 -5.353 12.205 1.00 0.00 N ATOM 685 CA ILE A 50 67.116 -5.550 12.653 1.00 0.00 C ATOM 686 C ILE A 50 67.283 -4.986 14.073 1.00 0.00 C ATOM 687 O ILE A 50 66.827 -3.895 14.368 1.00 0.00 O ATOM 688 CB ILE A 50 67.983 -4.780 11.635 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.787 -5.369 10.230 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.469 -4.894 12.009 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.387 -4.426 9.183 1.00 0.00 C ATOM 0 H ILE A 50 65.344 -4.403 12.316 1.00 0.00 H new ATOM 0 HA ILE A 50 67.405 -6.600 12.690 1.00 0.00 H new ATOM 0 HB ILE A 50 67.679 -3.733 11.648 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.263 -6.348 10.166 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.725 -5.517 10.033 1.00 0.00 H new ATOM 0 HG21 ILE A 50 70.070 -4.346 11.283 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.628 -4.474 13.002 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.765 -5.943 12.008 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.245 -4.849 8.188 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.891 -3.457 9.239 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.453 -4.300 9.375 1.00 0.00 H new ATOM 703 N SER A 51 67.926 -5.733 14.943 1.00 0.00 N ATOM 704 CA SER A 51 68.272 -5.205 16.302 1.00 0.00 C ATOM 705 C SER A 51 69.638 -4.510 16.268 1.00 0.00 C ATOM 706 O SER A 51 70.625 -5.103 15.870 1.00 0.00 O ATOM 707 CB SER A 51 68.325 -6.435 17.213 1.00 0.00 C ATOM 708 OG SER A 51 68.526 -6.016 18.556 1.00 0.00 O ATOM 0 H SER A 51 68.227 -6.692 14.767 1.00 0.00 H new ATOM 0 HA SER A 51 67.546 -4.471 16.651 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.398 -7.002 17.132 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.132 -7.098 16.902 1.00 0.00 H new ATOM 0 HG SER A 51 68.559 -6.801 19.142 1.00 0.00 H new ATOM 714 N ILE A 52 69.691 -3.264 16.683 1.00 0.00 N ATOM 715 CA ILE A 52 70.991 -2.516 16.718 1.00 0.00 C ATOM 716 C ILE A 52 71.174 -1.877 18.102 1.00 0.00 C ATOM 717 O ILE A 52 70.293 -1.202 18.602 1.00 0.00 O ATOM 718 CB ILE A 52 70.886 -1.442 15.615 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.664 -2.104 14.246 1.00 0.00 C ATOM 720 CG2 ILE A 52 72.181 -0.620 15.552 1.00 0.00 C ATOM 721 CD1 ILE A 52 70.224 -1.048 13.230 1.00 0.00 C ATOM 0 H ILE A 52 68.883 -2.730 17.001 1.00 0.00 H new ATOM 0 HA ILE A 52 71.851 -3.163 16.546 1.00 0.00 H new ATOM 0 HB ILE A 52 70.044 -0.793 15.853 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.583 -2.585 13.910 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.906 -2.884 14.326 1.00 0.00 H new ATOM 0 HG21 ILE A 52 72.095 0.135 14.770 1.00 0.00 H new ATOM 0 HG22 ILE A 52 72.349 -0.131 16.512 1.00 0.00 H new ATOM 0 HG23 ILE A 52 73.020 -1.279 15.329 1.00 0.00 H new ATOM 0 HD11 ILE A 52 70.067 -1.520 12.260 1.00 0.00 H new ATOM 0 HD12 ILE A 52 69.294 -0.587 13.564 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.997 -0.284 13.141 1.00 0.00 H new ATOM 733 N LEU A 53 72.320 -2.091 18.722 1.00 0.00 N ATOM 734 CA LEU A 53 72.645 -1.459 20.054 1.00 0.00 C ATOM 735 C LEU A 53 71.528 -1.688 21.085 1.00 0.00 C ATOM 736 O LEU A 53 71.284 -0.852 21.939 1.00 0.00 O ATOM 737 CB LEU A 53 72.821 0.039 19.770 1.00 0.00 C ATOM 738 CG LEU A 53 74.076 0.255 18.924 1.00 0.00 C ATOM 739 CD1 LEU A 53 74.065 1.672 18.347 1.00 0.00 C ATOM 740 CD2 LEU A 53 75.318 0.072 19.799 1.00 0.00 C ATOM 0 H LEU A 53 73.059 -2.690 18.353 1.00 0.00 H new ATOM 0 HA LEU A 53 73.543 -1.902 20.485 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.946 0.426 19.247 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.902 0.590 20.707 1.00 0.00 H new ATOM 0 HG LEU A 53 74.094 -0.469 18.110 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.960 1.826 17.744 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.180 1.804 17.724 1.00 0.00 H new ATOM 0 HD13 LEU A 53 74.047 2.396 19.161 1.00 0.00 H new ATOM 0 HD21 LEU A 53 76.213 0.226 19.197 1.00 0.00 H new ATOM 0 HD22 LEU A 53 75.299 0.797 20.613 1.00 0.00 H new ATOM 0 HD23 LEU A 53 75.327 -0.937 20.211 1.00 0.00 H new ATOM 752 N GLY A 54 70.857 -2.815 21.003 1.00 0.00 N ATOM 753 CA GLY A 54 69.794 -3.155 22.000 1.00 0.00 C ATOM 754 C GLY A 54 68.497 -2.389 21.691 1.00 0.00 C ATOM 755 O GLY A 54 67.690 -2.169 22.578 1.00 0.00 O ATOM 0 H GLY A 54 71.004 -3.519 20.280 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.602 -4.228 21.983 1.00 0.00 H new ATOM 0 HA3 GLY A 54 70.138 -2.908 23.005 1.00 0.00 H new ATOM 759 N LYS A 55 68.290 -1.983 20.452 1.00 0.00 N ATOM 760 CA LYS A 55 67.031 -1.266 20.079 1.00 0.00 C ATOM 761 C LYS A 55 66.484 -1.822 18.761 1.00 0.00 C ATOM 762 O LYS A 55 67.188 -1.870 17.768 1.00 0.00 O ATOM 763 CB LYS A 55 67.444 0.198 19.915 1.00 0.00 C ATOM 764 CG LYS A 55 66.196 1.069 19.760 1.00 0.00 C ATOM 765 CD LYS A 55 65.511 1.227 21.118 1.00 0.00 C ATOM 766 CE LYS A 55 64.327 2.186 20.984 1.00 0.00 C ATOM 767 NZ LYS A 55 63.473 1.913 22.175 1.00 0.00 N ATOM 0 H LYS A 55 68.947 -2.121 19.684 1.00 0.00 H new ATOM 0 HA LYS A 55 66.246 -1.385 20.826 1.00 0.00 H new ATOM 0 HB2 LYS A 55 68.021 0.523 20.781 1.00 0.00 H new ATOM 0 HB3 LYS A 55 68.088 0.309 19.043 1.00 0.00 H new ATOM 0 HG2 LYS A 55 66.469 2.047 19.363 1.00 0.00 H new ATOM 0 HG3 LYS A 55 65.509 0.615 19.045 1.00 0.00 H new ATOM 0 HD2 LYS A 55 65.168 0.257 21.479 1.00 0.00 H new ATOM 0 HD3 LYS A 55 66.220 1.608 21.853 1.00 0.00 H new ATOM 0 HE2 LYS A 55 64.660 3.224 20.966 1.00 0.00 H new ATOM 0 HE3 LYS A 55 63.780 2.011 20.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 62.639 2.534 22.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 63.166 0.920 22.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 64.018 2.095 23.042 1.00 0.00 H new ATOM 781 N GLU A 56 65.238 -2.240 18.755 1.00 0.00 N ATOM 782 CA GLU A 56 64.634 -2.829 17.515 1.00 0.00 C ATOM 783 C GLU A 56 64.190 -1.717 16.559 1.00 0.00 C ATOM 784 O GLU A 56 63.505 -0.792 16.956 1.00 0.00 O ATOM 785 CB GLU A 56 63.420 -3.636 17.991 1.00 0.00 C ATOM 786 CG GLU A 56 62.881 -4.483 16.835 1.00 0.00 C ATOM 787 CD GLU A 56 61.601 -5.196 17.275 1.00 0.00 C ATOM 788 OE1 GLU A 56 61.596 -5.744 18.366 1.00 0.00 O ATOM 789 OE2 GLU A 56 60.647 -5.183 16.514 1.00 0.00 O ATOM 0 H GLU A 56 64.612 -2.198 19.559 1.00 0.00 H new ATOM 0 HA GLU A 56 65.348 -3.452 16.975 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.702 -4.278 18.825 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.644 -2.963 18.355 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.678 -3.850 15.971 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.629 -5.214 16.527 1.00 0.00 H new ATOM 796 N VAL A 57 64.582 -1.809 15.307 1.00 0.00 N ATOM 797 CA VAL A 57 64.073 -0.858 14.268 1.00 0.00 C ATOM 798 C VAL A 57 63.471 -1.642 13.090 1.00 0.00 C ATOM 799 O VAL A 57 64.068 -2.584 12.598 1.00 0.00 O ATOM 800 CB VAL A 57 65.299 -0.017 13.845 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.402 -0.901 13.245 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.879 1.037 12.812 1.00 0.00 C ATOM 0 H VAL A 57 65.238 -2.509 14.960 1.00 0.00 H new ATOM 0 HA VAL A 57 63.277 -0.213 14.639 1.00 0.00 H new ATOM 0 HB VAL A 57 65.692 0.471 14.737 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.250 -0.280 12.958 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.723 -1.634 13.985 1.00 0.00 H new ATOM 0 HG13 VAL A 57 66.016 -1.418 12.366 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.748 1.626 12.519 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.464 0.541 11.935 1.00 0.00 H new ATOM 0 HG23 VAL A 57 64.126 1.694 13.248 1.00 0.00 H new ATOM 812 N LYS A 58 62.293 -1.255 12.656 1.00 0.00 N ATOM 813 CA LYS A 58 61.672 -1.888 11.450 1.00 0.00 C ATOM 814 C LYS A 58 62.025 -1.085 10.195 1.00 0.00 C ATOM 815 O LYS A 58 61.847 0.119 10.159 1.00 0.00 O ATOM 816 CB LYS A 58 60.162 -1.846 11.702 1.00 0.00 C ATOM 817 CG LYS A 58 59.811 -2.773 12.868 1.00 0.00 C ATOM 818 CD LYS A 58 58.291 -2.816 13.046 1.00 0.00 C ATOM 819 CE LYS A 58 57.945 -3.640 14.288 1.00 0.00 C ATOM 820 NZ LYS A 58 58.088 -2.691 15.428 1.00 0.00 N ATOM 0 H LYS A 58 61.732 -0.522 13.090 1.00 0.00 H new ATOM 0 HA LYS A 58 62.028 -2.906 11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.849 -0.827 11.927 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.625 -2.154 10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.194 -3.776 12.678 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.285 -2.419 13.783 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.897 -1.805 13.146 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.823 -3.254 12.164 1.00 0.00 H new ATOM 0 HE2 LYS A 58 56.932 -4.037 14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.616 -4.492 14.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 58.532 -3.179 16.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 58.682 -1.888 15.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 57.149 -2.343 15.710 1.00 0.00 H new ATOM 834 N PHE A 59 62.522 -1.750 9.175 1.00 0.00 N ATOM 835 CA PHE A 59 62.914 -1.043 7.916 1.00 0.00 C ATOM 836 C PHE A 59 62.008 -1.473 6.760 1.00 0.00 C ATOM 837 O PHE A 59 61.787 -2.653 6.545 1.00 0.00 O ATOM 838 CB PHE A 59 64.358 -1.474 7.650 1.00 0.00 C ATOM 839 CG PHE A 59 65.364 -0.861 8.600 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.367 0.550 8.833 1.00 0.00 C ATOM 841 CD2 PHE A 59 66.316 -1.696 9.264 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.320 1.126 9.729 1.00 0.00 C ATOM 843 CE2 PHE A 59 67.270 -1.119 10.160 1.00 0.00 C ATOM 844 CZ PHE A 59 67.271 0.291 10.393 1.00 0.00 C ATOM 0 H PHE A 59 62.673 -2.759 9.164 1.00 0.00 H new ATOM 0 HA PHE A 59 62.820 0.039 8.008 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.422 -2.560 7.719 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.626 -1.204 6.628 1.00 0.00 H new ATOM 0 HD1 PHE A 59 64.648 1.181 8.331 1.00 0.00 H new ATOM 0 HD2 PHE A 59 66.315 -2.762 9.089 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.321 2.192 9.904 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.990 -1.749 10.661 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.991 0.726 11.071 1.00 0.00 H new ATOM 854 N LYS A 60 61.486 -0.517 6.024 1.00 0.00 N ATOM 855 CA LYS A 60 60.671 -0.830 4.811 1.00 0.00 C ATOM 856 C LYS A 60 61.512 -0.614 3.549 1.00 0.00 C ATOM 857 O LYS A 60 62.192 0.390 3.421 1.00 0.00 O ATOM 858 CB LYS A 60 59.506 0.165 4.861 1.00 0.00 C ATOM 859 CG LYS A 60 58.504 -0.140 3.743 1.00 0.00 C ATOM 860 CD LYS A 60 57.690 -1.385 4.103 1.00 0.00 C ATOM 861 CE LYS A 60 56.414 -1.417 3.259 1.00 0.00 C ATOM 862 NZ LYS A 60 55.849 -2.780 3.462 1.00 0.00 N ATOM 0 H LYS A 60 61.594 0.479 6.218 1.00 0.00 H new ATOM 0 HA LYS A 60 60.325 -1.864 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 60 59.010 0.108 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.882 1.183 4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 60 57.839 0.711 3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 60 59.031 -0.298 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 60 58.280 -2.284 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.438 -1.375 5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 60 55.711 -0.647 3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 60 56.632 -1.233 2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.921 -2.844 2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 56.492 -3.487 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 55.739 -2.962 4.480 1.00 0.00 H new ATOM 876 N VAL A 61 61.467 -1.550 2.628 1.00 0.00 N ATOM 877 CA VAL A 61 62.185 -1.373 1.320 1.00 0.00 C ATOM 878 C VAL A 61 61.355 -0.452 0.420 1.00 0.00 C ATOM 879 O VAL A 61 60.294 -0.830 -0.046 1.00 0.00 O ATOM 880 CB VAL A 61 62.319 -2.783 0.705 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.079 -2.711 -0.625 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.092 -3.703 1.658 1.00 0.00 C ATOM 0 H VAL A 61 60.963 -2.431 2.725 1.00 0.00 H new ATOM 0 HA VAL A 61 63.169 -0.920 1.442 1.00 0.00 H new ATOM 0 HB VAL A 61 61.317 -3.178 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.167 -3.712 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.537 -2.069 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.074 -2.301 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.181 -4.695 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.087 -3.293 1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.559 -3.776 2.606 1.00 0.00 H new ATOM 892 N VAL A 62 61.842 0.743 0.173 1.00 0.00 N ATOM 893 CA VAL A 62 61.029 1.768 -0.561 1.00 0.00 C ATOM 894 C VAL A 62 61.081 1.461 -2.061 1.00 0.00 C ATOM 895 O VAL A 62 60.067 1.487 -2.736 1.00 0.00 O ATOM 896 CB VAL A 62 61.675 3.136 -0.251 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.888 4.260 -0.936 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.673 3.392 1.261 1.00 0.00 C ATOM 0 H VAL A 62 62.773 1.054 0.450 1.00 0.00 H new ATOM 0 HA VAL A 62 59.982 1.766 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 62 62.699 3.121 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 62 61.353 5.220 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.890 4.101 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.861 4.260 -0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 62 62.131 4.359 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.647 3.391 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 62 62.240 2.608 1.763 1.00 0.00 H new ATOM 908 N GLN A 63 62.257 1.169 -2.572 1.00 0.00 N ATOM 909 CA GLN A 63 62.409 0.892 -4.036 1.00 0.00 C ATOM 910 C GLN A 63 63.731 0.168 -4.308 1.00 0.00 C ATOM 911 O GLN A 63 64.766 0.538 -3.781 1.00 0.00 O ATOM 912 CB GLN A 63 62.396 2.270 -4.718 1.00 0.00 C ATOM 913 CG GLN A 63 60.977 2.606 -5.192 1.00 0.00 C ATOM 914 CD GLN A 63 61.042 3.604 -6.351 1.00 0.00 C ATOM 915 OE1 GLN A 63 60.685 3.222 -7.546 1.00 0.00 O flip ATOM 916 NE2 GLN A 63 61.422 4.743 -6.166 1.00 0.00 N flip ATOM 0 H GLN A 63 63.121 1.111 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 63 61.613 0.249 -4.412 1.00 0.00 H new ATOM 0 HB2 GLN A 63 62.746 3.033 -4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 63 63.082 2.272 -5.565 1.00 0.00 H new ATOM 0 HG2 GLN A 63 60.465 1.698 -5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 63 60.399 3.027 -4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 63 61.701 5.042 -5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 63 61.462 5.400 -6.945 1.00 0.00 H new ATOM 925 N ALA A 64 63.687 -0.858 -5.126 1.00 0.00 N ATOM 926 CA ALA A 64 64.939 -1.543 -5.571 1.00 0.00 C ATOM 927 C ALA A 64 65.243 -1.179 -7.027 1.00 0.00 C ATOM 928 O ALA A 64 64.373 -1.240 -7.878 1.00 0.00 O ATOM 929 CB ALA A 64 64.637 -3.037 -5.444 1.00 0.00 C ATOM 0 H ALA A 64 62.827 -1.252 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 64 65.807 -1.252 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.510 -3.612 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.396 -3.273 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.790 -3.292 -6.081 1.00 0.00 H new ATOM 935 N TYR A 65 66.468 -0.800 -7.310 1.00 0.00 N ATOM 936 CA TYR A 65 66.858 -0.430 -8.707 1.00 0.00 C ATOM 937 C TYR A 65 68.140 -1.186 -9.118 1.00 0.00 C ATOM 938 O TYR A 65 69.161 -0.976 -8.498 1.00 0.00 O ATOM 939 CB TYR A 65 67.129 1.075 -8.644 1.00 0.00 C ATOM 940 CG TYR A 65 65.887 1.919 -8.811 1.00 0.00 C ATOM 941 CD1 TYR A 65 65.090 1.791 -9.990 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.510 2.844 -7.789 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.915 2.589 -10.147 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.334 3.642 -7.946 1.00 0.00 C ATOM 945 CZ TYR A 65 63.537 3.515 -9.125 1.00 0.00 C ATOM 946 OH TYR A 65 62.402 4.286 -9.277 1.00 0.00 O ATOM 0 H TYR A 65 67.221 -0.731 -6.625 1.00 0.00 H new ATOM 0 HA TYR A 65 66.089 -0.684 -9.436 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.594 1.313 -7.687 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.846 1.340 -9.421 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.375 1.092 -10.762 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.113 2.940 -6.898 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.312 2.493 -11.038 1.00 0.00 H new ATOM 0 HE2 TYR A 65 64.048 4.341 -7.174 1.00 0.00 H new ATOM 0 HH TYR A 65 61.670 3.896 -8.755 1.00 0.00 H new ATOM 956 N PRO A 66 68.098 -2.041 -10.133 1.00 0.00 N ATOM 957 CA PRO A 66 66.841 -2.629 -10.708 1.00 0.00 C ATOM 958 C PRO A 66 66.269 -3.687 -9.760 1.00 0.00 C ATOM 959 O PRO A 66 66.955 -4.154 -8.870 1.00 0.00 O ATOM 960 CB PRO A 66 67.319 -3.277 -12.007 1.00 0.00 C ATOM 961 CG PRO A 66 68.745 -3.621 -11.744 1.00 0.00 C ATOM 962 CD PRO A 66 69.285 -2.544 -10.844 1.00 0.00 C ATOM 0 HA PRO A 66 66.052 -1.893 -10.862 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.734 -4.164 -12.248 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.224 -2.594 -12.851 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.827 -4.599 -11.271 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.311 -3.669 -12.675 1.00 0.00 H new ATOM 0 HD2 PRO A 66 70.027 -2.939 -10.150 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.772 -1.754 -11.416 1.00 0.00 H new ATOM 970 N SER A 67 65.023 -4.063 -9.947 1.00 0.00 N ATOM 971 CA SER A 67 64.419 -5.146 -9.108 1.00 0.00 C ATOM 972 C SER A 67 64.382 -6.468 -9.905 1.00 0.00 C ATOM 973 O SER A 67 64.130 -6.430 -11.094 1.00 0.00 O ATOM 974 CB SER A 67 62.995 -4.672 -8.812 1.00 0.00 C ATOM 975 OG SER A 67 63.039 -3.370 -8.244 1.00 0.00 O ATOM 0 H SER A 67 64.398 -3.664 -10.647 1.00 0.00 H new ATOM 0 HA SER A 67 64.988 -5.329 -8.197 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.406 -4.661 -9.729 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.505 -5.363 -8.126 1.00 0.00 H new ATOM 0 HG SER A 67 63.967 -3.057 -8.214 1.00 0.00 H new ATOM 981 N PRO A 68 64.625 -7.610 -9.270 1.00 0.00 N ATOM 982 CA PRO A 68 65.346 -7.708 -7.956 1.00 0.00 C ATOM 983 C PRO A 68 66.837 -7.399 -8.135 1.00 0.00 C ATOM 984 O PRO A 68 67.351 -7.433 -9.238 1.00 0.00 O ATOM 985 CB PRO A 68 65.143 -9.167 -7.549 1.00 0.00 C ATOM 986 CG PRO A 68 64.954 -9.888 -8.839 1.00 0.00 C ATOM 987 CD PRO A 68 64.228 -8.941 -9.752 1.00 0.00 C ATOM 0 HA PRO A 68 64.977 -7.002 -7.212 1.00 0.00 H new ATOM 0 HB2 PRO A 68 66.004 -9.550 -7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.276 -9.281 -6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.914 -10.179 -9.265 1.00 0.00 H new ATOM 0 HG3 PRO A 68 64.380 -10.803 -8.692 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.515 -9.091 -10.793 1.00 0.00 H new ATOM 0 HD3 PRO A 68 63.148 -9.081 -9.696 1.00 0.00 H new ATOM 995 N LEU A 69 67.522 -7.096 -7.053 1.00 0.00 N ATOM 996 CA LEU A 69 69.017 -6.989 -7.098 1.00 0.00 C ATOM 997 C LEU A 69 69.636 -7.563 -5.818 1.00 0.00 C ATOM 998 O LEU A 69 68.991 -7.618 -4.786 1.00 0.00 O ATOM 999 CB LEU A 69 69.332 -5.489 -7.253 1.00 0.00 C ATOM 1000 CG LEU A 69 68.786 -4.673 -6.064 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.835 -4.624 -4.945 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.453 -3.242 -6.519 1.00 0.00 C ATOM 0 H LEU A 69 67.107 -6.918 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 69 69.438 -7.561 -7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.410 -5.348 -7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.897 -5.118 -8.181 1.00 0.00 H new ATOM 0 HG LEU A 69 67.880 -5.151 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.446 -4.047 -4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.061 -5.638 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.744 -4.153 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.068 -2.672 -5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.355 -2.762 -6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.700 -3.277 -7.306 1.00 0.00 H new ATOM 1014 N ARG A 70 70.876 -7.990 -5.891 1.00 0.00 N ATOM 1015 CA ARG A 70 71.626 -8.382 -4.657 1.00 0.00 C ATOM 1016 C ARG A 70 72.431 -7.189 -4.136 1.00 0.00 C ATOM 1017 O ARG A 70 72.948 -6.400 -4.910 1.00 0.00 O ATOM 1018 CB ARG A 70 72.562 -9.517 -5.091 1.00 0.00 C ATOM 1019 CG ARG A 70 71.862 -10.866 -4.908 1.00 0.00 C ATOM 1020 CD ARG A 70 72.571 -11.931 -5.752 1.00 0.00 C ATOM 1021 NE ARG A 70 71.702 -13.154 -5.675 1.00 0.00 N ATOM 1022 CZ ARG A 70 72.175 -14.371 -5.895 1.00 0.00 C ATOM 1023 NH1 ARG A 70 73.429 -14.599 -6.216 1.00 0.00 N ATOM 1024 NH2 ARG A 70 71.359 -15.385 -5.796 1.00 0.00 N ATOM 0 H ARG A 70 71.403 -8.084 -6.760 1.00 0.00 H new ATOM 0 HA ARG A 70 70.961 -8.698 -3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.849 -9.385 -6.134 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.479 -9.490 -4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.873 -11.154 -3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.816 -10.788 -5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 70 72.689 -11.599 -6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 70 73.570 -12.135 -5.367 1.00 0.00 H new ATOM 0 HE ARG A 70 70.714 -13.043 -5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 70 74.082 -13.821 -6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 70 73.749 -15.554 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 70 70.380 -15.230 -5.554 1.00 0.00 H new ATOM 0 HH22 ARG A 70 71.700 -16.332 -5.961 1.00 0.00 H new ATOM 1038 N VAL A 71 72.535 -7.060 -2.833 1.00 0.00 N ATOM 1039 CA VAL A 71 73.263 -5.894 -2.232 1.00 0.00 C ATOM 1040 C VAL A 71 74.763 -6.210 -2.172 1.00 0.00 C ATOM 1041 O VAL A 71 75.166 -7.221 -1.624 1.00 0.00 O ATOM 1042 CB VAL A 71 72.672 -5.710 -0.816 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.343 -4.526 -0.108 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.166 -5.432 -0.908 1.00 0.00 C ATOM 0 H VAL A 71 72.145 -7.716 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 71 73.147 -4.982 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 71 72.850 -6.625 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 71 72.917 -4.409 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.414 -4.711 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.176 -3.616 -0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.758 -5.304 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 71 70.998 -4.524 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.670 -6.271 -1.397 1.00 0.00 H new ATOM 1054 N GLU A 72 75.579 -5.349 -2.737 1.00 0.00 N ATOM 1055 CA GLU A 72 77.062 -5.539 -2.687 1.00 0.00 C ATOM 1056 C GLU A 72 77.740 -4.239 -2.245 1.00 0.00 C ATOM 1057 O GLU A 72 77.118 -3.190 -2.222 1.00 0.00 O ATOM 1058 CB GLU A 72 77.462 -5.902 -4.119 1.00 0.00 C ATOM 1059 CG GLU A 72 78.931 -6.329 -4.154 1.00 0.00 C ATOM 1060 CD GLU A 72 79.275 -6.865 -5.545 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.500 -7.652 -6.063 1.00 0.00 O ATOM 1062 OE2 GLU A 72 80.307 -6.479 -6.068 1.00 0.00 O ATOM 0 H GLU A 72 75.274 -4.513 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 72 77.362 -6.310 -1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 72 76.830 -6.709 -4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 72 77.306 -5.048 -4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 72 79.573 -5.482 -3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 72 79.116 -7.096 -3.402 1.00 0.00 H new ATOM 1069 N ASP A 73 79.007 -4.304 -1.895 1.00 0.00 N ATOM 1070 CA ASP A 73 79.758 -3.073 -1.456 1.00 0.00 C ATOM 1071 C ASP A 73 79.756 -1.994 -2.551 1.00 0.00 C ATOM 1072 O ASP A 73 79.852 -0.815 -2.258 1.00 0.00 O ATOM 1073 CB ASP A 73 81.194 -3.535 -1.178 1.00 0.00 C ATOM 1074 CG ASP A 73 81.956 -2.427 -0.448 1.00 0.00 C ATOM 1075 OD1 ASP A 73 81.832 -2.349 0.763 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.650 -1.676 -1.112 1.00 0.00 O ATOM 0 H ASP A 73 79.559 -5.162 -1.894 1.00 0.00 H new ATOM 0 HA ASP A 73 79.291 -2.628 -0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.185 -4.443 -0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.696 -3.780 -2.114 1.00 0.00 H new ATOM 1081 N ARG A 74 79.648 -2.396 -3.800 1.00 0.00 N ATOM 1082 CA ARG A 74 79.610 -1.402 -4.925 1.00 0.00 C ATOM 1083 C ARG A 74 78.208 -0.785 -5.088 1.00 0.00 C ATOM 1084 O ARG A 74 78.070 0.274 -5.675 1.00 0.00 O ATOM 1085 CB ARG A 74 80.029 -2.171 -6.194 1.00 0.00 C ATOM 1086 CG ARG A 74 79.072 -3.338 -6.483 1.00 0.00 C ATOM 1087 CD ARG A 74 79.220 -3.766 -7.948 1.00 0.00 C ATOM 1088 NE ARG A 74 80.588 -4.379 -8.055 1.00 0.00 N ATOM 1089 CZ ARG A 74 81.237 -4.460 -9.205 1.00 0.00 C ATOM 1090 NH1 ARG A 74 80.728 -4.033 -10.340 1.00 0.00 N ATOM 1091 NH2 ARG A 74 82.429 -4.994 -9.215 1.00 0.00 N ATOM 0 H ARG A 74 79.584 -3.372 -4.088 1.00 0.00 H new ATOM 0 HA ARG A 74 80.283 -0.568 -4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 74 80.043 -1.491 -7.046 1.00 0.00 H new ATOM 0 HB3 ARG A 74 81.043 -2.551 -6.073 1.00 0.00 H new ATOM 0 HG2 ARG A 74 79.294 -4.177 -5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 74 78.044 -3.038 -6.282 1.00 0.00 H new ATOM 0 HD2 ARG A 74 78.447 -4.482 -8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 74 79.120 -2.912 -8.618 1.00 0.00 H new ATOM 0 HE ARG A 74 81.031 -4.745 -7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 74 79.796 -3.619 -10.357 1.00 0.00 H new ATOM 0 HH12 ARG A 74 81.265 -4.116 -11.203 1.00 0.00 H new ATOM 0 HH21 ARG A 74 82.841 -5.338 -8.348 1.00 0.00 H new ATOM 0 HH22 ARG A 74 82.948 -5.067 -10.090 1.00 0.00 H new ATOM 1105 N THR A 75 77.179 -1.434 -4.578 1.00 0.00 N ATOM 1106 CA THR A 75 75.792 -0.865 -4.674 1.00 0.00 C ATOM 1107 C THR A 75 75.614 0.256 -3.643 1.00 0.00 C ATOM 1108 O THR A 75 76.016 0.122 -2.500 1.00 0.00 O ATOM 1109 CB THR A 75 74.838 -2.030 -4.378 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.153 -3.122 -5.229 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.391 -1.595 -4.629 1.00 0.00 C ATOM 0 H THR A 75 77.242 -2.333 -4.100 1.00 0.00 H new ATOM 0 HA THR A 75 75.596 -0.435 -5.656 1.00 0.00 H new ATOM 0 HB THR A 75 74.948 -2.329 -3.336 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.959 -2.879 -6.158 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.719 -2.427 -4.417 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.146 -0.755 -3.979 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.277 -1.293 -5.670 1.00 0.00 H new ATOM 1119 N LYS A 76 75.014 1.352 -4.050 1.00 0.00 N ATOM 1120 CA LYS A 76 74.815 2.512 -3.121 1.00 0.00 C ATOM 1121 C LYS A 76 73.500 2.354 -2.353 1.00 0.00 C ATOM 1122 O LYS A 76 72.492 1.974 -2.921 1.00 0.00 O ATOM 1123 CB LYS A 76 74.758 3.752 -4.021 1.00 0.00 C ATOM 1124 CG LYS A 76 76.117 3.965 -4.692 1.00 0.00 C ATOM 1125 CD LYS A 76 76.056 5.203 -5.589 1.00 0.00 C ATOM 1126 CE LYS A 76 77.261 5.210 -6.532 1.00 0.00 C ATOM 1127 NZ LYS A 76 77.133 6.474 -7.310 1.00 0.00 N ATOM 0 H LYS A 76 74.651 1.493 -4.993 1.00 0.00 H new ATOM 0 HA LYS A 76 75.614 2.583 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 76 73.983 3.629 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.491 4.629 -3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.892 4.089 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.384 3.088 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 76 75.130 5.203 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 76 76.052 6.107 -4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.198 5.182 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 76 77.254 4.340 -7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 77.925 6.551 -7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.235 6.469 -7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.150 7.285 -6.659 1.00 0.00 H new ATOM 1141 N ILE A 77 73.510 2.641 -1.071 1.00 0.00 N ATOM 1142 CA ILE A 77 72.253 2.562 -0.255 1.00 0.00 C ATOM 1143 C ILE A 77 71.999 3.922 0.413 1.00 0.00 C ATOM 1144 O ILE A 77 72.897 4.511 0.988 1.00 0.00 O ATOM 1145 CB ILE A 77 72.502 1.453 0.788 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.757 0.117 0.074 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.275 1.294 1.698 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.316 -0.902 1.068 1.00 0.00 C ATOM 0 H ILE A 77 74.340 2.928 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 77 71.372 2.331 -0.854 1.00 0.00 H new ATOM 0 HB ILE A 77 73.369 1.731 1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.830 -0.256 -0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.459 0.261 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.464 0.508 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 77 71.082 2.233 2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.407 1.027 1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.495 -1.848 0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.253 -0.530 1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.599 -1.055 1.874 1.00 0.00 H new ATOM 1160 N THR A 78 70.780 4.408 0.333 1.00 0.00 N ATOM 1161 CA THR A 78 70.458 5.770 0.862 1.00 0.00 C ATOM 1162 C THR A 78 69.273 5.704 1.829 1.00 0.00 C ATOM 1163 O THR A 78 68.330 4.963 1.611 1.00 0.00 O ATOM 1164 CB THR A 78 70.091 6.596 -0.373 1.00 0.00 C ATOM 1165 OG1 THR A 78 71.092 6.428 -1.368 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.991 8.074 0.009 1.00 0.00 C ATOM 0 H THR A 78 69.990 3.913 -0.080 1.00 0.00 H new ATOM 0 HA THR A 78 71.292 6.202 1.414 1.00 0.00 H new ATOM 0 HB THR A 78 69.130 6.259 -0.763 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.857 6.955 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.730 8.661 -0.872 1.00 0.00 H new ATOM 0 HG22 THR A 78 69.222 8.202 0.771 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.950 8.414 0.400 1.00 0.00 H new ATOM 1174 N LEU A 79 69.325 6.474 2.893 1.00 0.00 N ATOM 1175 CA LEU A 79 68.178 6.544 3.850 1.00 0.00 C ATOM 1176 C LEU A 79 67.342 7.799 3.582 1.00 0.00 C ATOM 1177 O LEU A 79 67.867 8.899 3.541 1.00 0.00 O ATOM 1178 CB LEU A 79 68.821 6.616 5.237 1.00 0.00 C ATOM 1179 CG LEU A 79 69.511 5.287 5.552 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.407 5.457 6.780 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.453 4.219 5.839 1.00 0.00 C ATOM 0 H LEU A 79 70.122 7.061 3.139 1.00 0.00 H new ATOM 0 HA LEU A 79 67.509 5.689 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.545 7.430 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 79 68.063 6.831 5.990 1.00 0.00 H new ATOM 0 HG LEU A 79 70.116 4.980 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.899 4.511 7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.160 6.219 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.801 5.763 7.633 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.944 3.272 6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.849 4.526 6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.812 4.098 4.966 1.00 0.00 H new ATOM 1193 N VAL A 80 66.051 7.634 3.401 1.00 0.00 N ATOM 1194 CA VAL A 80 65.153 8.804 3.136 1.00 0.00 C ATOM 1195 C VAL A 80 64.539 9.286 4.458 1.00 0.00 C ATOM 1196 O VAL A 80 64.067 8.492 5.253 1.00 0.00 O ATOM 1197 CB VAL A 80 64.064 8.283 2.175 1.00 0.00 C ATOM 1198 CG1 VAL A 80 63.071 9.403 1.835 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.708 7.792 0.871 1.00 0.00 C ATOM 0 H VAL A 80 65.578 6.731 3.426 1.00 0.00 H new ATOM 0 HA VAL A 80 65.685 9.649 2.700 1.00 0.00 H new ATOM 0 HB VAL A 80 63.540 7.464 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 80 62.309 9.020 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.597 9.759 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.601 10.227 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.933 7.426 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.242 8.615 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.407 6.986 1.092 1.00 0.00 H new ATOM 1209 N THR A 81 64.550 10.580 4.686 1.00 0.00 N ATOM 1210 CA THR A 81 63.835 11.158 5.865 1.00 0.00 C ATOM 1211 C THR A 81 63.302 12.554 5.528 1.00 0.00 C ATOM 1212 O THR A 81 63.785 13.199 4.613 1.00 0.00 O ATOM 1213 CB THR A 81 64.880 11.240 6.983 1.00 0.00 C ATOM 1214 OG1 THR A 81 66.005 11.990 6.534 1.00 0.00 O ATOM 1215 CG2 THR A 81 65.321 9.830 7.386 1.00 0.00 C ATOM 0 H THR A 81 65.028 11.263 4.099 1.00 0.00 H new ATOM 0 HA THR A 81 62.980 10.549 6.159 1.00 0.00 H new ATOM 0 HB THR A 81 64.442 11.736 7.849 1.00 0.00 H new ATOM 0 HG1 THR A 81 66.477 12.365 7.306 1.00 0.00 H new ATOM 0 HG21 THR A 81 66.064 9.894 8.181 1.00 0.00 H new ATOM 0 HG22 THR A 81 64.458 9.266 7.740 1.00 0.00 H new ATOM 0 HG23 THR A 81 65.755 9.324 6.524 1.00 0.00 H new ATOM 1223 N HIS A 82 62.313 13.013 6.262 1.00 0.00 N ATOM 1224 CA HIS A 82 61.737 14.371 6.015 1.00 0.00 C ATOM 1225 C HIS A 82 61.418 15.066 7.354 1.00 0.00 C ATOM 1226 O HIS A 82 60.360 14.835 7.913 1.00 0.00 O ATOM 1227 CB HIS A 82 60.457 14.117 5.215 1.00 0.00 C ATOM 1228 CG HIS A 82 60.689 14.009 3.732 1.00 0.00 C ATOM 1229 ND1 HIS A 82 60.056 13.055 2.952 1.00 0.00 N ATOM 1230 CD2 HIS A 82 61.482 14.729 2.872 1.00 0.00 C ATOM 1231 CE1 HIS A 82 60.474 13.224 1.684 1.00 0.00 C ATOM 1232 NE2 HIS A 82 61.345 14.231 1.580 1.00 0.00 N ATOM 0 H HIS A 82 61.878 12.498 7.028 1.00 0.00 H new ATOM 0 HA HIS A 82 62.426 15.024 5.480 1.00 0.00 H new ATOM 0 HB2 HIS A 82 59.992 13.197 5.570 1.00 0.00 H new ATOM 0 HB3 HIS A 82 59.751 14.925 5.407 1.00 0.00 H new ATOM 0 HD2 HIS A 82 62.116 15.556 3.156 1.00 0.00 H new ATOM 0 HE1 HIS A 82 60.145 12.619 0.852 1.00 0.00 H new ATOM 0 HE2 HIS A 82 61.810 14.564 0.735 1.00 0.00 H new ATOM 1240 N PRO A 83 62.335 15.895 7.841 1.00 0.00 N ATOM 1241 CA PRO A 83 62.090 16.623 9.119 1.00 0.00 C ATOM 1242 C PRO A 83 60.985 17.668 8.932 1.00 0.00 C ATOM 1243 O PRO A 83 60.251 17.899 9.878 1.00 0.00 O ATOM 1244 CB PRO A 83 63.431 17.293 9.429 1.00 0.00 C ATOM 1245 CG PRO A 83 64.134 17.388 8.115 1.00 0.00 C ATOM 1246 CD PRO A 83 63.658 16.235 7.276 1.00 0.00 C ATOM 1247 OXT PRO A 83 60.893 18.217 7.846 1.00 0.00 O ATOM 0 HA PRO A 83 61.759 15.968 9.925 1.00 0.00 H new ATOM 0 HB2 PRO A 83 63.286 18.279 9.870 1.00 0.00 H new ATOM 0 HB3 PRO A 83 64.009 16.706 10.143 1.00 0.00 H new ATOM 0 HG2 PRO A 83 63.912 18.337 7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 83 65.214 17.345 8.252 1.00 0.00 H new ATOM 0 HD2 PRO A 83 63.582 16.512 6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 83 64.345 15.390 7.334 1.00 0.00 H new TER 1255 PRO A 83