USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 786 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 32 TYR OH : rot -43:sc= 0.091 USER MOD Set 1.2: A 40 CYS SG : rot 180:sc= -0.0915 USER MOD Single : A 1 GLY N :NH3+ 173:sc= 0 (180deg=-0.0362) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 21:sc= 0.86 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.059) USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= -0.0859 (180deg=-0.367) USER MOD Single : A 15 MET CE :methyl -101:sc= -0.139 (180deg=-2.29) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 18 MET CE :methyl -176:sc= 0 (180deg=-0.0582) USER MOD Single : A 20 ASN : amide:sc= -2.27 K(o=-2.3,f=-0.84) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc=-0.00443 X(o=-0.0044,f=-0.013) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -140:sc= -0.416 USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 0.023 (180deg=0.0229) USER MOD Single : A 59 SER OG : rot 180:sc= -0.421 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -3.87! C(o=-3.9!,f=-6.2!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 70 TYR OH : rot 23:sc= 1.32 USER MOD Single : A 72 ASN : amide:sc= -2.94! C(o=-2.9!,f=-4.6!) USER MOD Single : A 78 SER OG : rot -78:sc= 0.395 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.949 USER MOD Single : A 89 SER OG : rot -82:sc= -0.283 USER MOD Single : A 90 THR OG1 : rot -11:sc= 1.18 USER MOD Single : A 96 GLN : amide:sc= 0.123 X(o=0.12,f=-0.15) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.713 -17.288 -6.764 1.00 0.00 N ATOM 2 CA GLY A 1 -16.492 -15.924 -6.318 1.00 0.00 C ATOM 3 C GLY A 1 -17.123 -15.646 -4.969 1.00 0.00 C ATOM 4 O GLY A 1 -17.692 -14.576 -4.751 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.367 -17.395 -7.739 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.201 -17.944 -6.141 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.730 -17.503 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.420 -15.733 -6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.900 -15.233 -7.056 1.00 0.00 H new ATOM 8 N SER A 2 -17.024 -16.611 -4.060 1.00 0.00 N ATOM 9 CA SER A 2 -17.595 -16.467 -2.726 1.00 0.00 C ATOM 10 C SER A 2 -16.648 -17.024 -1.667 1.00 0.00 C ATOM 11 O SER A 2 -16.361 -18.220 -1.643 1.00 0.00 O ATOM 12 CB SER A 2 -18.945 -17.182 -2.646 1.00 0.00 C ATOM 13 OG SER A 2 -19.379 -17.305 -1.303 1.00 0.00 O ATOM 0 H SER A 2 -16.554 -17.501 -4.223 1.00 0.00 H new ATOM 0 HA SER A 2 -17.743 -15.404 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.687 -16.629 -3.222 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.863 -18.171 -3.097 1.00 0.00 H new ATOM 0 HG SER A 2 -20.245 -17.764 -1.280 1.00 0.00 H new ATOM 19 N SER A 3 -16.168 -16.146 -0.792 1.00 0.00 N ATOM 20 CA SER A 3 -15.250 -16.548 0.268 1.00 0.00 C ATOM 21 C SER A 3 -15.790 -17.758 1.024 1.00 0.00 C ATOM 22 O SER A 3 -16.833 -17.684 1.672 1.00 0.00 O ATOM 23 CB SER A 3 -15.019 -15.387 1.237 1.00 0.00 C ATOM 24 OG SER A 3 -14.239 -15.798 2.347 1.00 0.00 O ATOM 0 H SER A 3 -16.399 -15.153 -0.796 1.00 0.00 H new ATOM 0 HA SER A 3 -14.300 -16.823 -0.191 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.517 -14.570 0.718 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.978 -15.003 1.584 1.00 0.00 H new ATOM 0 HG SER A 3 -14.104 -15.038 2.951 1.00 0.00 H new ATOM 30 N GLY A 4 -15.071 -18.872 0.936 1.00 0.00 N ATOM 31 CA GLY A 4 -15.492 -20.083 1.616 1.00 0.00 C ATOM 32 C GLY A 4 -14.581 -21.259 1.325 1.00 0.00 C ATOM 33 O GLY A 4 -14.810 -22.011 0.378 1.00 0.00 O ATOM 0 H GLY A 4 -14.204 -18.958 0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.515 -19.903 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.509 -20.332 1.312 1.00 0.00 H new ATOM 37 N SER A 5 -13.543 -21.417 2.140 1.00 0.00 N ATOM 38 CA SER A 5 -12.590 -22.506 1.962 1.00 0.00 C ATOM 39 C SER A 5 -11.833 -22.783 3.257 1.00 0.00 C ATOM 40 O SER A 5 -11.800 -21.948 4.160 1.00 0.00 O ATOM 41 CB SER A 5 -11.603 -22.171 0.842 1.00 0.00 C ATOM 42 OG SER A 5 -12.161 -22.452 -0.430 1.00 0.00 O ATOM 0 H SER A 5 -13.341 -20.805 2.930 1.00 0.00 H new ATOM 0 HA SER A 5 -13.147 -23.402 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.329 -21.118 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.687 -22.746 0.976 1.00 0.00 H new ATOM 0 HG SER A 5 -13.138 -22.483 -0.359 1.00 0.00 H new ATOM 48 N SER A 6 -11.225 -23.962 3.339 1.00 0.00 N ATOM 49 CA SER A 6 -10.470 -24.352 4.524 1.00 0.00 C ATOM 50 C SER A 6 -9.049 -23.799 4.470 1.00 0.00 C ATOM 51 O SER A 6 -8.328 -24.004 3.495 1.00 0.00 O ATOM 52 CB SER A 6 -10.432 -25.876 4.652 1.00 0.00 C ATOM 53 OG SER A 6 -10.009 -26.269 5.946 1.00 0.00 O ATOM 0 H SER A 6 -11.240 -24.664 2.599 1.00 0.00 H new ATOM 0 HA SER A 6 -10.971 -23.934 5.397 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.422 -26.286 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.756 -26.290 3.904 1.00 0.00 H new ATOM 0 HG SER A 6 -9.995 -27.247 6.002 1.00 0.00 H new ATOM 59 N GLY A 7 -8.655 -23.094 5.527 1.00 0.00 N ATOM 60 CA GLY A 7 -7.322 -22.521 5.581 1.00 0.00 C ATOM 61 C GLY A 7 -7.344 -21.006 5.612 1.00 0.00 C ATOM 62 O GLY A 7 -8.120 -20.374 4.896 1.00 0.00 O ATOM 0 H GLY A 7 -9.234 -22.910 6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.806 -22.892 6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.751 -22.856 4.715 1.00 0.00 H new ATOM 66 N GLY A 8 -6.489 -20.420 6.445 1.00 0.00 N ATOM 67 CA GLY A 8 -6.430 -18.974 6.552 1.00 0.00 C ATOM 68 C GLY A 8 -5.012 -18.461 6.702 1.00 0.00 C ATOM 69 O GLY A 8 -4.109 -19.208 7.079 1.00 0.00 O ATOM 0 H GLY A 8 -5.836 -20.921 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.882 -18.529 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.022 -18.652 7.409 1.00 0.00 H new ATOM 73 N THR A 9 -4.813 -17.181 6.404 1.00 0.00 N ATOM 74 CA THR A 9 -3.494 -16.569 6.504 1.00 0.00 C ATOM 75 C THR A 9 -3.516 -15.366 7.440 1.00 0.00 C ATOM 76 O THR A 9 -4.465 -14.582 7.435 1.00 0.00 O ATOM 77 CB THR A 9 -2.975 -16.122 5.125 1.00 0.00 C ATOM 78 OG1 THR A 9 -3.121 -17.186 4.178 1.00 0.00 O ATOM 79 CG2 THR A 9 -1.514 -15.704 5.205 1.00 0.00 C ATOM 0 H THR A 9 -5.549 -16.548 6.091 1.00 0.00 H new ATOM 0 HA THR A 9 -2.824 -17.328 6.907 1.00 0.00 H new ATOM 0 HB THR A 9 -3.564 -15.264 4.801 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.790 -16.893 3.303 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.170 -15.392 4.219 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.411 -14.874 5.904 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.913 -16.546 5.550 1.00 0.00 H new ATOM 87 N GLN A 10 -2.465 -15.226 8.242 1.00 0.00 N ATOM 88 CA GLN A 10 -2.365 -14.117 9.183 1.00 0.00 C ATOM 89 C GLN A 10 -2.985 -12.851 8.601 1.00 0.00 C ATOM 90 O GLN A 10 -3.942 -12.305 9.153 1.00 0.00 O ATOM 91 CB GLN A 10 -0.902 -13.861 9.549 1.00 0.00 C ATOM 92 CG GLN A 10 -0.390 -14.751 10.670 1.00 0.00 C ATOM 93 CD GLN A 10 0.107 -16.093 10.169 1.00 0.00 C ATOM 94 OE1 GLN A 10 1.229 -16.207 9.675 1.00 0.00 O ATOM 95 NE2 GLN A 10 -0.727 -17.118 10.295 1.00 0.00 N ATOM 0 H GLN A 10 -1.671 -15.866 8.259 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.915 -14.388 10.084 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.283 -14.013 8.665 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.787 -12.818 9.843 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.419 -14.241 11.193 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.188 -14.911 11.395 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.648 -16.978 10.711 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.447 -18.046 9.976 1.00 0.00 H new ATOM 104 N LEU A 11 -2.434 -12.388 7.485 1.00 0.00 N ATOM 105 CA LEU A 11 -2.933 -11.185 6.827 1.00 0.00 C ATOM 106 C LEU A 11 -4.417 -11.319 6.501 1.00 0.00 C ATOM 107 O LEU A 11 -5.184 -10.369 6.657 1.00 0.00 O ATOM 108 CB LEU A 11 -2.141 -10.914 5.547 1.00 0.00 C ATOM 109 CG LEU A 11 -2.304 -9.520 4.940 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.707 -8.465 5.858 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.658 -9.459 3.563 1.00 0.00 C ATOM 0 H LEU A 11 -1.641 -12.827 7.016 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.804 -10.346 7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.084 -11.076 5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.434 -11.651 4.799 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.369 -9.315 4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.832 -7.479 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.215 -8.492 6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.645 -8.666 6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.784 -8.460 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.595 -9.685 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.132 -10.188 2.906 1.00 0.00 H new ATOM 123 N GLU A 12 -4.815 -12.504 6.050 1.00 0.00 N ATOM 124 CA GLU A 12 -6.208 -12.762 5.704 1.00 0.00 C ATOM 125 C GLU A 12 -7.112 -12.590 6.922 1.00 0.00 C ATOM 126 O GLU A 12 -8.226 -12.078 6.815 1.00 0.00 O ATOM 127 CB GLU A 12 -6.363 -14.173 5.135 1.00 0.00 C ATOM 128 CG GLU A 12 -6.219 -14.239 3.623 1.00 0.00 C ATOM 129 CD GLU A 12 -6.809 -15.506 3.036 1.00 0.00 C ATOM 130 OE1 GLU A 12 -7.979 -15.814 3.343 1.00 0.00 O ATOM 131 OE2 GLU A 12 -6.099 -16.190 2.268 1.00 0.00 O ATOM 0 H GLU A 12 -4.193 -13.301 5.916 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.507 -12.038 4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.617 -14.824 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.341 -14.564 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.709 -13.374 3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.163 -14.178 3.359 1.00 0.00 H new ATOM 138 N LYS A 13 -6.623 -13.023 8.079 1.00 0.00 N ATOM 139 CA LYS A 13 -7.384 -12.918 9.318 1.00 0.00 C ATOM 140 C LYS A 13 -7.686 -11.461 9.650 1.00 0.00 C ATOM 141 O LYS A 13 -8.846 -11.077 9.810 1.00 0.00 O ATOM 142 CB LYS A 13 -6.613 -13.566 10.471 1.00 0.00 C ATOM 143 CG LYS A 13 -6.939 -15.035 10.671 1.00 0.00 C ATOM 144 CD LYS A 13 -6.339 -15.895 9.571 1.00 0.00 C ATOM 145 CE LYS A 13 -7.296 -16.046 8.398 1.00 0.00 C ATOM 146 NZ LYS A 13 -8.480 -16.876 8.752 1.00 0.00 N ATOM 0 H LYS A 13 -5.703 -13.450 8.184 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.329 -13.444 9.180 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.544 -13.462 10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.831 -13.025 11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.560 -15.364 11.639 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.021 -15.169 10.690 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.406 -15.448 9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.093 -16.879 9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.628 -15.061 8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.772 -16.501 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.903 -17.265 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.184 -17.656 9.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.182 -16.288 9.245 1.00 0.00 H new ATOM 160 N LEU A 14 -6.637 -10.652 9.750 1.00 0.00 N ATOM 161 CA LEU A 14 -6.790 -9.235 10.061 1.00 0.00 C ATOM 162 C LEU A 14 -7.591 -8.523 8.975 1.00 0.00 C ATOM 163 O LEU A 14 -8.642 -7.943 9.246 1.00 0.00 O ATOM 164 CB LEU A 14 -5.418 -8.575 10.214 1.00 0.00 C ATOM 165 CG LEU A 14 -5.424 -7.100 10.616 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.394 -6.959 12.130 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.245 -6.371 9.988 1.00 0.00 C ATOM 0 H LEU A 14 -5.671 -10.953 9.620 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.334 -9.151 11.002 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.850 -9.132 10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.883 -8.671 9.269 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.344 -6.647 10.247 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.399 -5.902 12.397 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.270 -7.445 12.558 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.491 -7.428 12.521 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.265 -5.322 10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.314 -6.826 10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.310 -6.442 8.902 1.00 0.00 H new ATOM 179 N MET A 15 -7.087 -8.572 7.747 1.00 0.00 N ATOM 180 CA MET A 15 -7.757 -7.935 6.620 1.00 0.00 C ATOM 181 C MET A 15 -9.226 -8.342 6.560 1.00 0.00 C ATOM 182 O MET A 15 -10.079 -7.561 6.139 1.00 0.00 O ATOM 183 CB MET A 15 -7.060 -8.303 5.309 1.00 0.00 C ATOM 184 CG MET A 15 -5.716 -7.619 5.122 1.00 0.00 C ATOM 185 SD MET A 15 -5.859 -5.824 5.016 1.00 0.00 S ATOM 186 CE MET A 15 -4.605 -5.315 6.190 1.00 0.00 C ATOM 0 H MET A 15 -6.217 -9.046 7.507 1.00 0.00 H new ATOM 0 HA MET A 15 -7.703 -6.856 6.761 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.917 -9.383 5.274 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.711 -8.041 4.475 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.061 -7.879 5.954 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.244 -7.996 4.215 1.00 0.00 H new ATOM 0 HE1 MET A 15 -5.079 -5.035 7.131 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.913 -6.139 6.364 1.00 0.00 H new ATOM 0 HE3 MET A 15 -4.058 -4.461 5.791 1.00 0.00 H new ATOM 196 N GLU A 16 -9.514 -9.568 6.984 1.00 0.00 N ATOM 197 CA GLU A 16 -10.880 -10.078 6.977 1.00 0.00 C ATOM 198 C GLU A 16 -11.762 -9.283 7.935 1.00 0.00 C ATOM 199 O GLU A 16 -12.898 -8.940 7.610 1.00 0.00 O ATOM 200 CB GLU A 16 -10.897 -11.559 7.359 1.00 0.00 C ATOM 201 CG GLU A 16 -12.283 -12.085 7.695 1.00 0.00 C ATOM 202 CD GLU A 16 -13.151 -12.268 6.465 1.00 0.00 C ATOM 203 OE1 GLU A 16 -13.193 -11.346 5.625 1.00 0.00 O ATOM 204 OE2 GLU A 16 -13.788 -13.336 6.344 1.00 0.00 O ATOM 0 H GLU A 16 -8.820 -10.227 7.337 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.277 -9.967 5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.486 -12.143 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.242 -11.712 8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.190 -13.039 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.773 -11.395 8.382 1.00 0.00 H new ATOM 211 N ASN A 17 -11.230 -8.995 9.118 1.00 0.00 N ATOM 212 CA ASN A 17 -11.968 -8.242 10.126 1.00 0.00 C ATOM 213 C ASN A 17 -12.177 -6.798 9.681 1.00 0.00 C ATOM 214 O ASN A 17 -13.247 -6.224 9.882 1.00 0.00 O ATOM 215 CB ASN A 17 -11.225 -8.273 11.463 1.00 0.00 C ATOM 216 CG ASN A 17 -11.064 -9.681 12.002 1.00 0.00 C ATOM 217 OD1 ASN A 17 -11.996 -10.484 11.961 1.00 0.00 O ATOM 218 ND2 ASN A 17 -9.877 -9.987 12.512 1.00 0.00 N ATOM 0 H ASN A 17 -10.290 -9.272 9.403 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.944 -8.711 10.250 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.242 -7.819 11.340 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.766 -7.668 12.190 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.709 -10.919 12.890 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.133 -9.290 12.525 1.00 0.00 H new ATOM 225 N MET A 18 -11.147 -6.217 9.074 1.00 0.00 N ATOM 226 CA MET A 18 -11.218 -4.840 8.598 1.00 0.00 C ATOM 227 C MET A 18 -12.167 -4.724 7.410 1.00 0.00 C ATOM 228 O MET A 18 -13.094 -3.913 7.420 1.00 0.00 O ATOM 229 CB MET A 18 -9.826 -4.341 8.205 1.00 0.00 C ATOM 230 CG MET A 18 -9.831 -2.952 7.588 1.00 0.00 C ATOM 231 SD MET A 18 -8.205 -2.453 6.989 1.00 0.00 S ATOM 232 CE MET A 18 -8.180 -3.241 5.381 1.00 0.00 C ATOM 0 H MET A 18 -10.254 -6.678 8.900 1.00 0.00 H new ATOM 0 HA MET A 18 -11.602 -4.221 9.409 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.188 -4.335 9.089 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.384 -5.042 7.498 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.541 -2.928 6.762 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.178 -2.231 8.328 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.208 -3.084 4.914 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.359 -4.310 5.497 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.958 -2.809 4.752 1.00 0.00 H new ATOM 242 N ARG A 19 -11.930 -5.538 6.387 1.00 0.00 N ATOM 243 CA ARG A 19 -12.763 -5.525 5.190 1.00 0.00 C ATOM 244 C ARG A 19 -14.243 -5.483 5.559 1.00 0.00 C ATOM 245 O ARG A 19 -15.061 -4.931 4.824 1.00 0.00 O ATOM 246 CB ARG A 19 -12.476 -6.757 4.329 1.00 0.00 C ATOM 247 CG ARG A 19 -11.207 -6.638 3.500 1.00 0.00 C ATOM 248 CD ARG A 19 -11.054 -7.811 2.545 1.00 0.00 C ATOM 249 NE ARG A 19 -9.816 -7.730 1.774 1.00 0.00 N ATOM 250 CZ ARG A 19 -9.250 -8.776 1.182 1.00 0.00 C ATOM 251 NH1 ARG A 19 -9.807 -9.976 1.272 1.00 0.00 N ATOM 252 NH2 ARG A 19 -8.124 -8.623 0.497 1.00 0.00 N ATOM 0 H ARG A 19 -11.168 -6.215 6.363 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.522 -4.628 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.397 -7.631 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.321 -6.929 3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.227 -5.707 2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.342 -6.591 4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.069 -8.743 3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.904 -7.837 1.864 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.361 -6.821 1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.673 -10.098 1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.370 -10.777 0.816 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.692 -7.702 0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.690 -9.427 0.043 1.00 0.00 H new ATOM 266 N ASN A 20 -14.580 -6.072 6.702 1.00 0.00 N ATOM 267 CA ASN A 20 -15.962 -6.102 7.168 1.00 0.00 C ATOM 268 C ASN A 20 -16.452 -4.699 7.510 1.00 0.00 C ATOM 269 O ASN A 20 -17.272 -4.125 6.794 1.00 0.00 O ATOM 270 CB ASN A 20 -16.089 -7.011 8.392 1.00 0.00 C ATOM 271 CG ASN A 20 -15.939 -8.479 8.040 1.00 0.00 C ATOM 272 OD1 ASN A 20 -16.530 -8.960 7.073 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.146 -9.198 8.826 1.00 0.00 N ATOM 0 H ASN A 20 -13.916 -6.535 7.322 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.582 -6.497 6.363 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.331 -6.737 9.125 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -17.059 -6.850 8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.007 -10.191 8.639 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.676 -8.757 9.617 1.00 0.00 H new ATOM 280 N ASP A 21 -15.943 -4.152 8.608 1.00 0.00 N ATOM 281 CA ASP A 21 -16.327 -2.814 9.045 1.00 0.00 C ATOM 282 C ASP A 21 -15.993 -1.777 7.977 1.00 0.00 C ATOM 283 O ASP A 21 -16.583 -0.697 7.941 1.00 0.00 O ATOM 284 CB ASP A 21 -15.622 -2.461 10.355 1.00 0.00 C ATOM 285 CG ASP A 21 -16.445 -1.527 11.222 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.689 -1.638 11.199 1.00 0.00 O ATOM 287 OD2 ASP A 21 -15.845 -0.685 11.922 1.00 0.00 O ATOM 0 H ASP A 21 -15.263 -4.614 9.212 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.405 -2.807 9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.412 -3.376 10.909 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.662 -1.995 10.133 1.00 0.00 H new ATOM 292 N ILE A 22 -15.043 -2.112 7.111 1.00 0.00 N ATOM 293 CA ILE A 22 -14.630 -1.210 6.043 1.00 0.00 C ATOM 294 C ILE A 22 -15.594 -1.278 4.864 1.00 0.00 C ATOM 295 O ILE A 22 -15.864 -0.270 4.210 1.00 0.00 O ATOM 296 CB ILE A 22 -13.208 -1.534 5.549 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.170 -0.793 6.393 1.00 0.00 C ATOM 298 CG2 ILE A 22 -13.062 -1.170 4.079 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.167 0.703 6.171 1.00 0.00 C ATOM 0 H ILE A 22 -14.545 -3.002 7.128 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.639 -0.203 6.460 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.037 -2.605 5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.359 -0.995 7.447 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.180 -1.188 6.166 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.051 -1.405 3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.781 -1.740 3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.249 -0.104 3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.406 1.163 6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.947 0.915 5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.145 1.111 6.426 1.00 0.00 H new ATOM 311 N ALA A 23 -16.112 -2.472 4.598 1.00 0.00 N ATOM 312 CA ALA A 23 -17.050 -2.671 3.499 1.00 0.00 C ATOM 313 C ALA A 23 -18.471 -2.315 3.920 1.00 0.00 C ATOM 314 O ALA A 23 -19.336 -2.074 3.077 1.00 0.00 O ATOM 315 CB ALA A 23 -16.987 -4.110 3.007 1.00 0.00 C ATOM 0 H ALA A 23 -15.898 -3.317 5.128 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.764 -2.007 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.692 -4.245 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.978 -4.332 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.246 -4.785 3.823 1.00 0.00 H new ATOM 321 N SER A 24 -18.707 -2.284 5.227 1.00 0.00 N ATOM 322 CA SER A 24 -20.026 -1.962 5.759 1.00 0.00 C ATOM 323 C SER A 24 -20.113 -0.487 6.140 1.00 0.00 C ATOM 324 O SER A 24 -21.163 0.141 6.003 1.00 0.00 O ATOM 325 CB SER A 24 -20.335 -2.834 6.978 1.00 0.00 C ATOM 326 OG SER A 24 -21.733 -2.984 7.157 1.00 0.00 O ATOM 0 H SER A 24 -18.002 -2.478 5.938 1.00 0.00 H new ATOM 0 HA SER A 24 -20.763 -2.163 4.981 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.874 -3.814 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.897 -2.386 7.870 1.00 0.00 H new ATOM 0 HG SER A 24 -21.904 -3.546 7.941 1.00 0.00 H new ATOM 332 N HIS A 25 -19.000 0.060 6.619 1.00 0.00 N ATOM 333 CA HIS A 25 -18.949 1.462 7.019 1.00 0.00 C ATOM 334 C HIS A 25 -17.744 2.161 6.396 1.00 0.00 C ATOM 335 O HIS A 25 -16.925 2.771 7.085 1.00 0.00 O ATOM 336 CB HIS A 25 -18.888 1.577 8.543 1.00 0.00 C ATOM 337 CG HIS A 25 -20.230 1.494 9.203 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.747 2.505 9.985 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.163 0.514 9.194 1.00 0.00 C ATOM 340 CE1 HIS A 25 -21.939 2.149 10.429 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.215 0.945 9.963 1.00 0.00 N ATOM 0 H HIS A 25 -18.122 -0.446 6.739 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.855 1.950 6.661 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.250 0.784 8.934 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.419 2.524 8.809 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -21.093 -0.432 8.678 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.579 2.742 11.065 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.071 0.420 10.145 1.00 0.00 H new ATOM 349 N PRO A 26 -17.631 2.071 5.063 1.00 0.00 N ATOM 350 CA PRO A 26 -16.530 2.689 4.318 1.00 0.00 C ATOM 351 C PRO A 26 -16.298 4.140 4.725 1.00 0.00 C ATOM 352 O PRO A 26 -17.228 4.871 5.067 1.00 0.00 O ATOM 353 CB PRO A 26 -16.997 2.609 2.863 1.00 0.00 C ATOM 354 CG PRO A 26 -17.931 1.449 2.828 1.00 0.00 C ATOM 355 CD PRO A 26 -18.570 1.360 4.179 1.00 0.00 C ATOM 0 HA PRO A 26 -15.580 2.187 4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.496 3.528 2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.156 2.461 2.185 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.685 1.585 2.053 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.395 0.529 2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.556 1.825 4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.705 0.324 4.490 1.00 0.00 H new ATOM 363 N PRO A 27 -15.028 4.570 4.687 1.00 0.00 N ATOM 364 CA PRO A 27 -14.644 5.938 5.047 1.00 0.00 C ATOM 365 C PRO A 27 -15.124 6.963 4.025 1.00 0.00 C ATOM 366 O PRO A 27 -15.475 6.614 2.898 1.00 0.00 O ATOM 367 CB PRO A 27 -13.114 5.883 5.070 1.00 0.00 C ATOM 368 CG PRO A 27 -12.762 4.763 4.154 1.00 0.00 C ATOM 369 CD PRO A 27 -13.869 3.754 4.289 1.00 0.00 C ATOM 0 HA PRO A 27 -15.088 6.250 5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.679 6.823 4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.739 5.703 6.078 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.676 5.113 3.125 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.801 4.326 4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.050 3.229 3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.634 2.998 5.038 1.00 0.00 H new ATOM 377 N VAL A 28 -15.138 8.230 4.426 1.00 0.00 N ATOM 378 CA VAL A 28 -15.574 9.307 3.544 1.00 0.00 C ATOM 379 C VAL A 28 -14.446 9.750 2.619 1.00 0.00 C ATOM 380 O VAL A 28 -13.397 10.202 3.076 1.00 0.00 O ATOM 381 CB VAL A 28 -16.072 10.523 4.347 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.466 11.656 3.412 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.237 10.129 5.242 1.00 0.00 C ATOM 0 H VAL A 28 -14.852 8.536 5.356 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.397 8.914 2.947 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.259 10.875 4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.815 12.506 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.602 11.955 2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.263 11.320 2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.576 11.000 5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.055 9.751 4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.916 9.353 5.937 1.00 0.00 H new ATOM 393 N GLU A 29 -14.671 9.617 1.315 1.00 0.00 N ATOM 394 CA GLU A 29 -13.673 10.004 0.325 1.00 0.00 C ATOM 395 C GLU A 29 -13.352 11.492 0.429 1.00 0.00 C ATOM 396 O GLU A 29 -14.229 12.340 0.274 1.00 0.00 O ATOM 397 CB GLU A 29 -14.167 9.675 -1.085 1.00 0.00 C ATOM 398 CG GLU A 29 -15.105 10.722 -1.661 1.00 0.00 C ATOM 399 CD GLU A 29 -15.939 10.190 -2.810 1.00 0.00 C ATOM 400 OE1 GLU A 29 -15.378 9.484 -3.674 1.00 0.00 O ATOM 401 OE2 GLU A 29 -17.153 10.479 -2.844 1.00 0.00 O ATOM 0 H GLU A 29 -15.535 9.245 0.920 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.763 9.439 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.307 9.567 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.678 8.712 -1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.767 11.084 -0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.522 11.576 -2.005 1.00 0.00 H new ATOM 408 N GLY A 30 -12.086 11.801 0.694 1.00 0.00 N ATOM 409 CA GLY A 30 -11.670 13.186 0.816 1.00 0.00 C ATOM 410 C GLY A 30 -11.842 13.722 2.223 1.00 0.00 C ATOM 411 O GLY A 30 -12.018 14.924 2.420 1.00 0.00 O ATOM 0 H GLY A 30 -11.341 11.117 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.624 13.275 0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.249 13.798 0.124 1.00 0.00 H new ATOM 415 N SER A 31 -11.792 12.827 3.205 1.00 0.00 N ATOM 416 CA SER A 31 -11.948 13.216 4.602 1.00 0.00 C ATOM 417 C SER A 31 -10.615 13.140 5.340 1.00 0.00 C ATOM 418 O SER A 31 -10.209 14.090 6.010 1.00 0.00 O ATOM 419 CB SER A 31 -12.978 12.318 5.291 1.00 0.00 C ATOM 420 OG SER A 31 -13.312 12.817 6.574 1.00 0.00 O ATOM 0 H SER A 31 -11.645 11.828 3.059 1.00 0.00 H new ATOM 0 HA SER A 31 -12.299 14.247 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.877 12.253 4.677 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.581 11.307 5.383 1.00 0.00 H new ATOM 0 HG SER A 31 -13.973 12.227 6.993 1.00 0.00 H new ATOM 426 N TYR A 32 -9.939 12.004 5.211 1.00 0.00 N ATOM 427 CA TYR A 32 -8.653 11.802 5.867 1.00 0.00 C ATOM 428 C TYR A 32 -7.525 12.447 5.066 1.00 0.00 C ATOM 429 O TYR A 32 -7.403 12.230 3.861 1.00 0.00 O ATOM 430 CB TYR A 32 -8.377 10.308 6.046 1.00 0.00 C ATOM 431 CG TYR A 32 -6.919 9.985 6.281 1.00 0.00 C ATOM 432 CD1 TYR A 32 -6.021 9.923 5.223 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.439 9.744 7.563 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.688 9.627 5.434 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.107 9.450 7.784 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.236 9.392 6.716 1.00 0.00 C ATOM 437 OH TYR A 32 -2.909 9.099 6.930 1.00 0.00 O ATOM 0 H TYR A 32 -10.260 11.209 4.658 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.696 12.277 6.847 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.963 9.937 6.887 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.720 9.775 5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.371 10.109 4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.119 9.787 8.401 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.004 9.580 4.600 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.750 9.267 8.787 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.601 8.463 6.251 1.00 0.00 H new ATOM 447 N ALA A 33 -6.704 13.239 5.747 1.00 0.00 N ATOM 448 CA ALA A 33 -5.585 13.914 5.101 1.00 0.00 C ATOM 449 C ALA A 33 -4.290 13.130 5.287 1.00 0.00 C ATOM 450 O ALA A 33 -3.752 13.025 6.389 1.00 0.00 O ATOM 451 CB ALA A 33 -5.432 15.325 5.648 1.00 0.00 C ATOM 0 H ALA A 33 -6.792 13.429 6.745 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.795 13.971 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.593 15.817 5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.345 15.890 5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.249 15.281 6.722 1.00 0.00 H new ATOM 457 N PRO A 34 -3.776 12.565 4.184 1.00 0.00 N ATOM 458 CA PRO A 34 -2.538 11.780 4.201 1.00 0.00 C ATOM 459 C PRO A 34 -1.307 12.645 4.450 1.00 0.00 C ATOM 460 O PRO A 34 -1.060 13.612 3.730 1.00 0.00 O ATOM 461 CB PRO A 34 -2.487 11.169 2.798 1.00 0.00 C ATOM 462 CG PRO A 34 -3.280 12.102 1.949 1.00 0.00 C ATOM 463 CD PRO A 34 -4.363 12.649 2.837 1.00 0.00 C ATOM 0 HA PRO A 34 -2.534 11.042 5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.461 11.084 2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.913 10.166 2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.653 12.904 1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.705 11.583 1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.618 13.675 2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.279 12.063 2.761 1.00 0.00 H new ATOM 471 N ARG A 35 -0.538 12.289 5.474 1.00 0.00 N ATOM 472 CA ARG A 35 0.668 13.034 5.819 1.00 0.00 C ATOM 473 C ARG A 35 1.916 12.193 5.569 1.00 0.00 C ATOM 474 O ARG A 35 1.887 10.968 5.693 1.00 0.00 O ATOM 475 CB ARG A 35 0.620 13.473 7.283 1.00 0.00 C ATOM 476 CG ARG A 35 -0.612 14.290 7.634 1.00 0.00 C ATOM 477 CD ARG A 35 -0.463 15.739 7.196 1.00 0.00 C ATOM 478 NE ARG A 35 0.388 16.501 8.106 1.00 0.00 N ATOM 479 CZ ARG A 35 0.481 17.826 8.089 1.00 0.00 C ATOM 480 NH1 ARG A 35 -0.222 18.532 7.215 1.00 0.00 N ATOM 481 NH2 ARG A 35 1.279 18.447 8.949 1.00 0.00 N ATOM 0 H ARG A 35 -0.728 11.490 6.079 1.00 0.00 H new ATOM 0 HA ARG A 35 0.714 13.918 5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.653 12.589 7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.511 14.060 7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.488 13.853 7.156 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.782 14.250 8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.041 15.773 6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.447 16.205 7.144 1.00 0.00 H new ATOM 0 HE ARG A 35 0.941 15.988 8.792 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.837 18.058 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.149 19.549 7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.821 17.907 9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.350 19.464 8.936 1.00 0.00 H new ATOM 495 N ARG A 36 3.011 12.858 5.216 1.00 0.00 N ATOM 496 CA ARG A 36 4.269 12.172 4.947 1.00 0.00 C ATOM 497 C ARG A 36 4.755 11.423 6.185 1.00 0.00 C ATOM 498 O ARG A 36 5.185 12.032 7.163 1.00 0.00 O ATOM 499 CB ARG A 36 5.333 13.173 4.493 1.00 0.00 C ATOM 500 CG ARG A 36 6.746 12.612 4.517 1.00 0.00 C ATOM 501 CD ARG A 36 7.646 13.327 3.521 1.00 0.00 C ATOM 502 NE ARG A 36 8.258 14.522 4.096 1.00 0.00 N ATOM 503 CZ ARG A 36 9.063 15.333 3.420 1.00 0.00 C ATOM 504 NH1 ARG A 36 9.352 15.079 2.151 1.00 0.00 N ATOM 505 NH2 ARG A 36 9.582 16.401 4.013 1.00 0.00 N ATOM 0 H ARG A 36 3.052 13.872 5.110 1.00 0.00 H new ATOM 0 HA ARG A 36 4.097 11.449 4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.100 13.505 3.481 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.289 14.053 5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.161 12.711 5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.720 11.547 4.286 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.427 12.646 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.065 13.605 2.642 1.00 0.00 H new ATOM 0 HE ARG A 36 8.056 14.746 5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.956 14.259 1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.971 15.704 1.634 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.363 16.599 4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.200 17.023 3.493 1.00 0.00 H new ATOM 519 N GLY A 37 4.682 10.096 6.133 1.00 0.00 N ATOM 520 CA GLY A 37 5.117 9.285 7.256 1.00 0.00 C ATOM 521 C GLY A 37 3.964 8.852 8.139 1.00 0.00 C ATOM 522 O GLY A 37 4.166 8.474 9.292 1.00 0.00 O ATOM 0 H GLY A 37 4.330 9.569 5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.636 8.402 6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.835 9.849 7.851 1.00 0.00 H new ATOM 526 N GLU A 38 2.751 8.910 7.598 1.00 0.00 N ATOM 527 CA GLU A 38 1.562 8.523 8.347 1.00 0.00 C ATOM 528 C GLU A 38 0.913 7.284 7.736 1.00 0.00 C ATOM 529 O GLU A 38 0.844 7.144 6.515 1.00 0.00 O ATOM 530 CB GLU A 38 0.555 9.675 8.380 1.00 0.00 C ATOM 531 CG GLU A 38 0.738 10.608 9.566 1.00 0.00 C ATOM 532 CD GLU A 38 0.478 9.923 10.893 1.00 0.00 C ATOM 533 OE1 GLU A 38 1.337 9.126 11.327 1.00 0.00 O ATOM 534 OE2 GLU A 38 -0.583 10.182 11.498 1.00 0.00 O ATOM 0 H GLU A 38 2.566 9.221 6.644 1.00 0.00 H new ATOM 0 HA GLU A 38 1.867 8.287 9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.643 10.250 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.454 9.264 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.754 11.004 9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.064 11.458 9.462 1.00 0.00 H new ATOM 541 N PHE A 39 0.439 6.387 8.594 1.00 0.00 N ATOM 542 CA PHE A 39 -0.203 5.159 8.140 1.00 0.00 C ATOM 543 C PHE A 39 -1.685 5.390 7.864 1.00 0.00 C ATOM 544 O PHE A 39 -2.305 6.282 8.446 1.00 0.00 O ATOM 545 CB PHE A 39 -0.033 4.054 9.185 1.00 0.00 C ATOM 546 CG PHE A 39 1.387 3.591 9.343 1.00 0.00 C ATOM 547 CD1 PHE A 39 2.318 4.381 9.998 1.00 0.00 C ATOM 548 CD2 PHE A 39 1.791 2.366 8.836 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.626 3.958 10.145 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.097 1.938 8.981 1.00 0.00 C ATOM 551 CZ PHE A 39 4.016 2.735 9.635 1.00 0.00 C ATOM 0 H PHE A 39 0.487 6.487 9.608 1.00 0.00 H new ATOM 0 HA PHE A 39 0.277 4.849 7.212 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.398 4.415 10.146 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.655 3.203 8.907 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.018 5.338 10.398 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.077 1.739 8.322 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.342 4.583 10.658 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.399 0.980 8.583 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.037 2.403 9.747 1.00 0.00 H new ATOM 561 N CYS A 40 -2.248 4.582 6.972 1.00 0.00 N ATOM 562 CA CYS A 40 -3.657 4.699 6.617 1.00 0.00 C ATOM 563 C CYS A 40 -4.081 3.562 5.692 1.00 0.00 C ATOM 564 O CYS A 40 -3.266 2.719 5.316 1.00 0.00 O ATOM 565 CB CYS A 40 -3.926 6.046 5.944 1.00 0.00 C ATOM 566 SG CYS A 40 -2.774 6.447 4.609 1.00 0.00 S ATOM 0 H CYS A 40 -1.750 3.839 6.482 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.243 4.636 7.534 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.941 6.045 5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.880 6.832 6.698 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.083 7.603 4.101 1.00 0.00 H new ATOM 572 N ILE A 41 -5.360 3.544 5.332 1.00 0.00 N ATOM 573 CA ILE A 41 -5.891 2.511 4.452 1.00 0.00 C ATOM 574 C ILE A 41 -6.123 3.052 3.046 1.00 0.00 C ATOM 575 O ILE A 41 -6.761 4.089 2.866 1.00 0.00 O ATOM 576 CB ILE A 41 -7.213 1.935 4.994 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.250 3.049 5.156 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.978 1.225 6.319 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.590 2.558 5.658 1.00 0.00 C ATOM 0 H ILE A 41 -6.048 4.233 5.636 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.146 1.716 4.414 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.597 1.208 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.863 3.797 5.849 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.390 3.546 4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.921 0.824 6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.269 0.410 6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.575 1.932 7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.275 3.401 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.998 1.832 4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.463 2.087 6.633 1.00 0.00 H new ATOM 591 N ALA A 42 -5.602 2.341 2.051 1.00 0.00 N ATOM 592 CA ALA A 42 -5.756 2.747 0.659 1.00 0.00 C ATOM 593 C ALA A 42 -6.702 1.811 -0.085 1.00 0.00 C ATOM 594 O ALA A 42 -6.763 0.615 0.204 1.00 0.00 O ATOM 595 CB ALA A 42 -4.401 2.790 -0.031 1.00 0.00 C ATOM 0 H ALA A 42 -5.070 1.481 2.183 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.191 3.746 0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.531 3.095 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.756 3.505 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.944 1.801 0.003 1.00 0.00 H new ATOM 601 N LYS A 43 -7.439 2.361 -1.043 1.00 0.00 N ATOM 602 CA LYS A 43 -8.382 1.576 -1.830 1.00 0.00 C ATOM 603 C LYS A 43 -7.730 1.067 -3.112 1.00 0.00 C ATOM 604 O LYS A 43 -7.251 1.852 -3.931 1.00 0.00 O ATOM 605 CB LYS A 43 -9.616 2.414 -2.171 1.00 0.00 C ATOM 606 CG LYS A 43 -10.881 1.592 -2.344 1.00 0.00 C ATOM 607 CD LYS A 43 -12.118 2.474 -2.385 1.00 0.00 C ATOM 608 CE LYS A 43 -13.351 1.729 -1.895 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.609 2.359 -2.382 1.00 0.00 N ATOM 0 H LYS A 43 -7.401 3.349 -1.294 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.688 0.717 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.775 3.149 -1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.425 2.969 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.816 1.012 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.968 0.880 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.957 3.358 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.284 2.823 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.308 0.694 -2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.354 1.708 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.426 1.822 -2.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.662 3.339 -2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.619 2.356 -3.422 1.00 0.00 H new ATOM 623 N PHE A 44 -7.716 -0.251 -3.281 1.00 0.00 N ATOM 624 CA PHE A 44 -7.124 -0.864 -4.463 1.00 0.00 C ATOM 625 C PHE A 44 -8.106 -0.857 -5.631 1.00 0.00 C ATOM 626 O PHE A 44 -9.320 -0.796 -5.434 1.00 0.00 O ATOM 627 CB PHE A 44 -6.690 -2.299 -4.157 1.00 0.00 C ATOM 628 CG PHE A 44 -5.614 -2.809 -5.073 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.419 -2.122 -5.210 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.798 -3.976 -5.797 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.428 -2.588 -6.053 1.00 0.00 C ATOM 632 CE2 PHE A 44 -4.811 -4.448 -6.641 1.00 0.00 C ATOM 633 CZ PHE A 44 -3.624 -3.754 -6.769 1.00 0.00 C ATOM 0 H PHE A 44 -8.108 -0.915 -2.614 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.249 -0.278 -4.744 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.334 -2.351 -3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.557 -2.955 -4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.260 -1.211 -4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.724 -4.523 -5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.502 -2.042 -6.152 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.968 -5.359 -7.200 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.851 -4.121 -7.427 1.00 0.00 H new ATOM 643 N VAL A 45 -7.573 -0.919 -6.846 1.00 0.00 N ATOM 644 CA VAL A 45 -8.401 -0.919 -8.046 1.00 0.00 C ATOM 645 C VAL A 45 -9.547 -1.917 -7.922 1.00 0.00 C ATOM 646 O VAL A 45 -10.581 -1.776 -8.576 1.00 0.00 O ATOM 647 CB VAL A 45 -7.574 -1.259 -9.300 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.376 -0.329 -9.417 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.129 -2.713 -9.266 1.00 0.00 C ATOM 0 H VAL A 45 -6.570 -0.970 -7.026 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.807 0.087 -8.150 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.203 -1.116 -10.179 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.803 -0.584 -10.309 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.722 0.702 -9.490 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.743 -0.438 -8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.546 -2.936 -10.160 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.517 -2.886 -8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.005 -3.361 -9.233 1.00 0.00 H new ATOM 659 N ASP A 46 -9.358 -2.925 -7.078 1.00 0.00 N ATOM 660 CA ASP A 46 -10.376 -3.947 -6.866 1.00 0.00 C ATOM 661 C ASP A 46 -11.331 -3.539 -5.748 1.00 0.00 C ATOM 662 O ASP A 46 -11.992 -4.382 -5.144 1.00 0.00 O ATOM 663 CB ASP A 46 -9.722 -5.288 -6.530 1.00 0.00 C ATOM 664 CG ASP A 46 -8.951 -5.865 -7.701 1.00 0.00 C ATOM 665 OD1 ASP A 46 -9.261 -5.498 -8.854 1.00 0.00 O ATOM 666 OD2 ASP A 46 -8.037 -6.683 -7.465 1.00 0.00 O ATOM 0 H ASP A 46 -8.508 -3.056 -6.529 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.947 -4.052 -7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.048 -5.158 -5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.490 -5.996 -6.220 1.00 0.00 H new ATOM 671 N GLY A 47 -11.396 -2.239 -5.477 1.00 0.00 N ATOM 672 CA GLY A 47 -12.271 -1.741 -4.431 1.00 0.00 C ATOM 673 C GLY A 47 -11.989 -2.382 -3.087 1.00 0.00 C ATOM 674 O GLY A 47 -12.863 -2.433 -2.222 1.00 0.00 O ATOM 0 H GLY A 47 -10.858 -1.521 -5.963 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.154 -0.661 -4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.308 -1.928 -4.709 1.00 0.00 H new ATOM 678 N GLU A 48 -10.766 -2.873 -2.911 1.00 0.00 N ATOM 679 CA GLU A 48 -10.374 -3.516 -1.662 1.00 0.00 C ATOM 680 C GLU A 48 -9.434 -2.620 -0.861 1.00 0.00 C ATOM 681 O GLU A 48 -8.421 -2.148 -1.377 1.00 0.00 O ATOM 682 CB GLU A 48 -9.699 -4.859 -1.945 1.00 0.00 C ATOM 683 CG GLU A 48 -10.665 -5.945 -2.387 1.00 0.00 C ATOM 684 CD GLU A 48 -9.956 -7.185 -2.897 1.00 0.00 C ATOM 685 OE1 GLU A 48 -9.194 -7.072 -3.880 1.00 0.00 O ATOM 686 OE2 GLU A 48 -10.163 -8.269 -2.311 1.00 0.00 O ATOM 0 H GLU A 48 -10.030 -2.838 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.275 -3.687 -1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.943 -4.720 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.179 -5.191 -1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.308 -6.217 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.312 -5.553 -3.171 1.00 0.00 H new ATOM 693 N TRP A 49 -9.778 -2.391 0.401 1.00 0.00 N ATOM 694 CA TRP A 49 -8.965 -1.551 1.273 1.00 0.00 C ATOM 695 C TRP A 49 -7.759 -2.320 1.800 1.00 0.00 C ATOM 696 O TRP A 49 -7.860 -3.502 2.130 1.00 0.00 O ATOM 697 CB TRP A 49 -9.804 -1.032 2.442 1.00 0.00 C ATOM 698 CG TRP A 49 -10.817 -0.004 2.036 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.113 -0.230 1.670 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.616 1.411 1.953 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.730 0.959 1.364 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.833 1.981 1.531 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.527 2.253 2.197 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.988 3.352 1.347 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.683 3.613 2.013 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.906 4.152 1.592 1.00 0.00 C ATOM 0 H TRP A 49 -10.613 -2.775 0.843 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.605 -0.704 0.688 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.317 -1.871 2.913 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.141 -0.602 3.193 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.584 -1.201 1.627 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.699 1.064 1.062 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.581 1.847 2.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.930 3.769 1.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.848 4.273 2.197 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.996 5.220 1.458 1.00 0.00 H new ATOM 717 N TYR A 50 -6.618 -1.643 1.876 1.00 0.00 N ATOM 718 CA TYR A 50 -5.391 -2.265 2.361 1.00 0.00 C ATOM 719 C TYR A 50 -4.554 -1.269 3.157 1.00 0.00 C ATOM 720 O TYR A 50 -4.696 -0.056 3.001 1.00 0.00 O ATOM 721 CB TYR A 50 -4.575 -2.812 1.189 1.00 0.00 C ATOM 722 CG TYR A 50 -5.240 -3.967 0.475 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.280 -5.233 1.047 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.828 -3.793 -0.771 1.00 0.00 C ATOM 725 CE1 TYR A 50 -5.885 -6.291 0.398 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.438 -4.845 -1.427 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.463 -6.092 -0.839 1.00 0.00 C ATOM 728 OH TYR A 50 -7.069 -7.144 -1.488 1.00 0.00 O ATOM 0 H TYR A 50 -6.517 -0.664 1.608 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.666 -3.089 3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.397 -2.008 0.475 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.600 -3.135 1.555 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.830 -5.392 2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.808 -2.818 -1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.906 -7.269 0.856 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.893 -4.691 -2.395 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.862 -7.101 -2.445 1.00 0.00 H new ATOM 738 N ARG A 51 -3.680 -1.791 4.012 1.00 0.00 N ATOM 739 CA ARG A 51 -2.820 -0.949 4.835 1.00 0.00 C ATOM 740 C ARG A 51 -1.650 -0.407 4.019 1.00 0.00 C ATOM 741 O ARG A 51 -0.998 -1.147 3.283 1.00 0.00 O ATOM 742 CB ARG A 51 -2.296 -1.738 6.036 1.00 0.00 C ATOM 743 CG ARG A 51 -3.249 -1.748 7.220 1.00 0.00 C ATOM 744 CD ARG A 51 -2.505 -1.934 8.533 1.00 0.00 C ATOM 745 NE ARG A 51 -2.369 -3.344 8.890 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.383 -4.121 8.453 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.453 -3.627 7.648 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.327 -5.394 8.822 1.00 0.00 N ATOM 0 H ARG A 51 -3.549 -2.793 4.153 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.413 -0.107 5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.101 -2.765 5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.343 -1.314 6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.808 -0.812 7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.976 -2.550 7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.516 -1.482 8.456 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.035 -1.408 9.327 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.069 -3.755 9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.493 -2.649 7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.303 -4.225 7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.041 -5.777 9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.570 -5.990 8.486 1.00 0.00 H new ATOM 762 N ALA A 52 -1.390 0.889 4.156 1.00 0.00 N ATOM 763 CA ALA A 52 -0.298 1.529 3.433 1.00 0.00 C ATOM 764 C ALA A 52 0.232 2.738 4.198 1.00 0.00 C ATOM 765 O ALA A 52 -0.533 3.474 4.821 1.00 0.00 O ATOM 766 CB ALA A 52 -0.755 1.942 2.042 1.00 0.00 C ATOM 0 H ALA A 52 -1.920 1.516 4.761 1.00 0.00 H new ATOM 0 HA ALA A 52 0.513 0.807 3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.071 2.419 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.079 1.060 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.585 2.643 2.125 1.00 0.00 H new ATOM 772 N ARG A 53 1.545 2.936 4.145 1.00 0.00 N ATOM 773 CA ARG A 53 2.177 4.054 4.835 1.00 0.00 C ATOM 774 C ARG A 53 2.517 5.175 3.856 1.00 0.00 C ATOM 775 O ARG A 53 3.307 4.987 2.931 1.00 0.00 O ATOM 776 CB ARG A 53 3.445 3.588 5.552 1.00 0.00 C ATOM 777 CG ARG A 53 4.181 4.704 6.275 1.00 0.00 C ATOM 778 CD ARG A 53 5.473 4.205 6.903 1.00 0.00 C ATOM 779 NE ARG A 53 5.985 5.128 7.911 1.00 0.00 N ATOM 780 CZ ARG A 53 6.910 4.800 8.807 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.422 3.577 8.818 1.00 0.00 N ATOM 782 NH2 ARG A 53 7.325 5.696 9.693 1.00 0.00 N ATOM 0 H ARG A 53 2.192 2.337 3.632 1.00 0.00 H new ATOM 0 HA ARG A 53 1.472 4.439 5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.181 2.813 6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.117 3.133 4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.403 5.508 5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.538 5.124 7.048 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.301 3.230 7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.224 4.065 6.125 1.00 0.00 H new ATOM 0 HE ARG A 53 5.612 6.077 7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.106 2.886 8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.132 3.327 9.507 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.934 6.638 9.687 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.035 5.443 10.380 1.00 0.00 H new ATOM 796 N VAL A 54 1.913 6.340 4.066 1.00 0.00 N ATOM 797 CA VAL A 54 2.151 7.491 3.203 1.00 0.00 C ATOM 798 C VAL A 54 3.644 7.749 3.030 1.00 0.00 C ATOM 799 O VAL A 54 4.323 8.169 3.966 1.00 0.00 O ATOM 800 CB VAL A 54 1.484 8.761 3.764 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.808 9.964 2.892 1.00 0.00 C ATOM 802 CG2 VAL A 54 -0.020 8.565 3.880 1.00 0.00 C ATOM 0 H VAL A 54 1.255 6.512 4.826 1.00 0.00 H new ATOM 0 HA VAL A 54 1.711 7.256 2.234 1.00 0.00 H new ATOM 0 HB VAL A 54 1.881 8.949 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.328 10.852 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.887 10.114 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.441 9.790 1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.475 9.472 4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.436 8.352 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.228 7.731 4.550 1.00 0.00 H new ATOM 812 N GLU A 55 4.147 7.494 1.826 1.00 0.00 N ATOM 813 CA GLU A 55 5.560 7.698 1.531 1.00 0.00 C ATOM 814 C GLU A 55 5.828 9.146 1.129 1.00 0.00 C ATOM 815 O GLU A 55 6.838 9.734 1.518 1.00 0.00 O ATOM 816 CB GLU A 55 6.012 6.755 0.415 1.00 0.00 C ATOM 817 CG GLU A 55 5.970 5.287 0.804 1.00 0.00 C ATOM 818 CD GLU A 55 6.777 4.411 -0.135 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.451 4.374 -1.340 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.735 3.763 0.336 1.00 0.00 O ATOM 0 H GLU A 55 3.597 7.146 1.040 1.00 0.00 H new ATOM 0 HA GLU A 55 6.129 7.479 2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.378 6.909 -0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.029 7.015 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.351 5.173 1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.935 4.947 0.812 1.00 0.00 H new ATOM 827 N LYS A 56 4.917 9.715 0.347 1.00 0.00 N ATOM 828 CA LYS A 56 5.053 11.093 -0.109 1.00 0.00 C ATOM 829 C LYS A 56 3.707 11.651 -0.561 1.00 0.00 C ATOM 830 O LYS A 56 2.942 10.974 -1.248 1.00 0.00 O ATOM 831 CB LYS A 56 6.062 11.176 -1.256 1.00 0.00 C ATOM 832 CG LYS A 56 5.759 12.279 -2.255 1.00 0.00 C ATOM 833 CD LYS A 56 6.832 12.371 -3.327 1.00 0.00 C ATOM 834 CE LYS A 56 6.620 13.580 -4.226 1.00 0.00 C ATOM 835 NZ LYS A 56 7.908 14.109 -4.755 1.00 0.00 N ATOM 0 H LYS A 56 4.076 9.243 0.016 1.00 0.00 H new ATOM 0 HA LYS A 56 5.413 11.692 0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.058 11.336 -0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.084 10.220 -1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.792 12.092 -2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.682 13.233 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.813 12.434 -2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.825 11.463 -3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.971 13.305 -5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.108 14.363 -3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.721 14.922 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.511 14.411 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.393 13.365 -5.295 1.00 0.00 H new ATOM 849 N VAL A 57 3.425 12.891 -0.173 1.00 0.00 N ATOM 850 CA VAL A 57 2.173 13.541 -0.541 1.00 0.00 C ATOM 851 C VAL A 57 2.414 14.683 -1.522 1.00 0.00 C ATOM 852 O VAL A 57 2.973 15.718 -1.159 1.00 0.00 O ATOM 853 CB VAL A 57 1.440 14.089 0.698 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.153 14.789 0.291 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.158 12.969 1.688 1.00 0.00 C ATOM 0 H VAL A 57 4.047 13.465 0.396 1.00 0.00 H new ATOM 0 HA VAL A 57 1.551 12.783 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 57 2.084 14.821 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.351 15.169 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.385 15.618 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.499 14.082 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.640 13.374 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.534 12.212 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.098 12.517 2.004 1.00 0.00 H new ATOM 865 N GLU A 58 1.988 14.487 -2.766 1.00 0.00 N ATOM 866 CA GLU A 58 2.159 15.502 -3.799 1.00 0.00 C ATOM 867 C GLU A 58 0.994 16.488 -3.791 1.00 0.00 C ATOM 868 O GLU A 58 1.191 17.697 -3.674 1.00 0.00 O ATOM 869 CB GLU A 58 2.276 14.845 -5.176 1.00 0.00 C ATOM 870 CG GLU A 58 3.691 14.420 -5.529 1.00 0.00 C ATOM 871 CD GLU A 58 4.482 15.527 -6.199 1.00 0.00 C ATOM 872 OE1 GLU A 58 3.973 16.109 -7.180 1.00 0.00 O ATOM 873 OE2 GLU A 58 5.610 15.811 -5.743 1.00 0.00 O ATOM 0 H GLU A 58 1.523 13.636 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 58 3.077 16.049 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.624 13.972 -5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.915 15.541 -5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.209 14.106 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.652 13.555 -6.190 1.00 0.00 H new ATOM 880 N SER A 59 -0.220 15.961 -3.918 1.00 0.00 N ATOM 881 CA SER A 59 -1.417 16.794 -3.930 1.00 0.00 C ATOM 882 C SER A 59 -2.642 15.991 -3.501 1.00 0.00 C ATOM 883 O SER A 59 -2.627 14.760 -3.463 1.00 0.00 O ATOM 884 CB SER A 59 -1.641 17.381 -5.325 1.00 0.00 C ATOM 885 OG SER A 59 -0.418 17.500 -6.031 1.00 0.00 O ATOM 0 H SER A 59 -0.400 14.962 -4.014 1.00 0.00 H new ATOM 0 HA SER A 59 -1.271 17.608 -3.220 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.327 16.745 -5.885 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.112 18.360 -5.240 1.00 0.00 H new ATOM 0 HG SER A 59 -0.589 17.876 -6.920 1.00 0.00 H new ATOM 891 N PRO A 60 -3.729 16.703 -3.171 1.00 0.00 N ATOM 892 CA PRO A 60 -4.983 16.079 -2.739 1.00 0.00 C ATOM 893 C PRO A 60 -5.413 14.943 -3.662 1.00 0.00 C ATOM 894 O PRO A 60 -6.252 14.119 -3.298 1.00 0.00 O ATOM 895 CB PRO A 60 -5.991 17.229 -2.801 1.00 0.00 C ATOM 896 CG PRO A 60 -5.173 18.460 -2.623 1.00 0.00 C ATOM 897 CD PRO A 60 -3.818 18.173 -3.194 1.00 0.00 C ATOM 0 HA PRO A 60 -4.894 15.625 -1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.521 17.240 -3.754 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.744 17.138 -2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.634 19.306 -3.132 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.099 18.724 -1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.720 18.564 -4.207 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.028 18.631 -2.598 1.00 0.00 H new ATOM 905 N ALA A 61 -4.833 14.906 -4.857 1.00 0.00 N ATOM 906 CA ALA A 61 -5.154 13.870 -5.830 1.00 0.00 C ATOM 907 C ALA A 61 -3.971 12.932 -6.045 1.00 0.00 C ATOM 908 O ALA A 61 -4.128 11.826 -6.562 1.00 0.00 O ATOM 909 CB ALA A 61 -5.578 14.498 -7.150 1.00 0.00 C ATOM 0 H ALA A 61 -4.138 15.582 -5.174 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.983 13.282 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.815 13.712 -7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.458 15.121 -6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.765 15.111 -7.539 1.00 0.00 H new ATOM 915 N LYS A 62 -2.786 13.381 -5.646 1.00 0.00 N ATOM 916 CA LYS A 62 -1.575 12.582 -5.793 1.00 0.00 C ATOM 917 C LYS A 62 -0.935 12.309 -4.436 1.00 0.00 C ATOM 918 O LYS A 62 -0.318 13.192 -3.842 1.00 0.00 O ATOM 919 CB LYS A 62 -0.576 13.298 -6.706 1.00 0.00 C ATOM 920 CG LYS A 62 -0.951 13.246 -8.177 1.00 0.00 C ATOM 921 CD LYS A 62 0.278 13.314 -9.068 1.00 0.00 C ATOM 922 CE LYS A 62 0.780 11.926 -9.433 1.00 0.00 C ATOM 923 NZ LYS A 62 0.160 11.425 -10.691 1.00 0.00 N ATOM 0 H LYS A 62 -2.638 14.295 -5.218 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.851 11.628 -6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.496 14.340 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.409 12.850 -6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.499 12.326 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.619 14.075 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.039 13.866 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.068 13.865 -8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.864 11.950 -9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.560 11.235 -8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.528 10.476 -10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.872 11.378 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.391 12.071 -11.473 1.00 0.00 H new ATOM 937 N ILE A 63 -1.086 11.080 -3.953 1.00 0.00 N ATOM 938 CA ILE A 63 -0.520 10.690 -2.668 1.00 0.00 C ATOM 939 C ILE A 63 0.305 9.414 -2.794 1.00 0.00 C ATOM 940 O ILE A 63 -0.242 8.318 -2.918 1.00 0.00 O ATOM 941 CB ILE A 63 -1.619 10.475 -1.611 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.756 11.478 -1.814 1.00 0.00 C ATOM 943 CG2 ILE A 63 -1.039 10.600 -0.210 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.387 12.895 -1.432 1.00 0.00 C ATOM 0 H ILE A 63 -1.596 10.338 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 63 0.127 11.507 -2.348 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.022 9.469 -1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.063 11.460 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.617 11.164 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.828 10.445 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.261 9.850 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.612 11.594 -0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.240 13.552 -1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.108 12.927 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.546 13.228 -2.040 1.00 0.00 H new ATOM 956 N HIS A 64 1.626 9.564 -2.761 1.00 0.00 N ATOM 957 CA HIS A 64 2.528 8.423 -2.869 1.00 0.00 C ATOM 958 C HIS A 64 2.487 7.576 -1.601 1.00 0.00 C ATOM 959 O HIS A 64 2.889 8.027 -0.528 1.00 0.00 O ATOM 960 CB HIS A 64 3.956 8.898 -3.134 1.00 0.00 C ATOM 961 CG HIS A 64 4.084 9.766 -4.348 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.871 9.435 -5.431 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.516 10.958 -4.648 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.784 10.386 -6.343 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.968 11.322 -5.893 1.00 0.00 N ATOM 0 H HIS A 64 2.095 10.464 -2.660 1.00 0.00 H new ATOM 0 HA HIS A 64 2.197 7.808 -3.706 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.314 9.449 -2.264 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.604 8.029 -3.249 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.433 8.588 -5.515 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.835 11.518 -4.025 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.294 10.397 -7.295 1.00 0.00 H new ATOM 973 N VAL A 65 1.999 6.347 -1.731 1.00 0.00 N ATOM 974 CA VAL A 65 1.907 5.437 -0.595 1.00 0.00 C ATOM 975 C VAL A 65 2.542 4.089 -0.918 1.00 0.00 C ATOM 976 O VAL A 65 2.883 3.810 -2.068 1.00 0.00 O ATOM 977 CB VAL A 65 0.443 5.214 -0.173 1.00 0.00 C ATOM 978 CG1 VAL A 65 -0.093 6.433 0.561 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.418 4.889 -1.385 1.00 0.00 C ATOM 0 H VAL A 65 1.661 5.958 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 65 2.448 5.902 0.229 1.00 0.00 H new ATOM 0 HB VAL A 65 0.405 4.364 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.129 6.257 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.508 6.614 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.043 7.303 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.449 4.735 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.376 5.716 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.046 3.983 -1.863 1.00 0.00 H new ATOM 989 N PHE A 66 2.698 3.255 0.104 1.00 0.00 N ATOM 990 CA PHE A 66 3.294 1.935 -0.070 1.00 0.00 C ATOM 991 C PHE A 66 2.549 0.889 0.755 1.00 0.00 C ATOM 992 O PHE A 66 2.490 0.977 1.982 1.00 0.00 O ATOM 993 CB PHE A 66 4.770 1.961 0.332 1.00 0.00 C ATOM 994 CG PHE A 66 5.327 0.604 0.654 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.765 -0.238 -0.356 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.414 0.170 1.967 1.00 0.00 C ATOM 997 CE1 PHE A 66 6.278 -1.487 -0.062 1.00 0.00 C ATOM 998 CE2 PHE A 66 5.926 -1.078 2.267 1.00 0.00 C ATOM 999 CZ PHE A 66 6.359 -1.907 1.251 1.00 0.00 C ATOM 0 H PHE A 66 2.420 3.469 1.062 1.00 0.00 H new ATOM 0 HA PHE A 66 3.216 1.665 -1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.351 2.401 -0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.891 2.610 1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.705 0.086 -1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.078 0.815 2.765 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.615 -2.134 -0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.987 -1.405 3.295 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.760 -2.882 1.483 1.00 0.00 H new ATOM 1009 N TYR A 67 1.981 -0.099 0.073 1.00 0.00 N ATOM 1010 CA TYR A 67 1.237 -1.160 0.741 1.00 0.00 C ATOM 1011 C TYR A 67 2.152 -1.981 1.645 1.00 0.00 C ATOM 1012 O TYR A 67 3.025 -2.707 1.168 1.00 0.00 O ATOM 1013 CB TYR A 67 0.570 -2.071 -0.291 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.528 -1.393 -1.078 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.228 -0.491 -2.092 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.866 -1.654 -0.809 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.228 0.132 -2.813 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.873 -1.037 -1.526 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.549 -0.145 -2.527 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.548 0.473 -3.244 1.00 0.00 O ATOM 0 H TYR A 67 2.022 -0.187 -0.942 1.00 0.00 H new ATOM 0 HA TYR A 67 0.467 -0.697 1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.328 -2.438 -0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.156 -2.941 0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.805 -0.273 -2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.123 -2.351 -0.026 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.977 0.832 -3.596 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.908 -1.252 -1.304 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.421 0.168 -2.919 1.00 0.00 H new ATOM 1030 N ILE A 68 1.944 -1.860 2.951 1.00 0.00 N ATOM 1031 CA ILE A 68 2.748 -2.591 3.923 1.00 0.00 C ATOM 1032 C ILE A 68 2.209 -4.002 4.131 1.00 0.00 C ATOM 1033 O ILE A 68 2.581 -4.685 5.086 1.00 0.00 O ATOM 1034 CB ILE A 68 2.790 -1.864 5.280 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.479 -2.078 6.039 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.055 -0.380 5.078 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.488 -1.499 7.436 1.00 0.00 C ATOM 0 H ILE A 68 1.226 -1.263 3.361 1.00 0.00 H new ATOM 0 HA ILE A 68 3.759 -2.646 3.519 1.00 0.00 H new ATOM 0 HB ILE A 68 3.604 -2.281 5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.663 -1.628 5.473 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.274 -3.147 6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.082 0.120 6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.012 -0.247 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.261 0.052 4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.527 -1.688 7.914 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.282 -1.967 8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.662 -0.424 7.383 1.00 0.00 H new ATOM 1049 N ASP A 69 1.333 -4.434 3.231 1.00 0.00 N ATOM 1050 CA ASP A 69 0.745 -5.766 3.314 1.00 0.00 C ATOM 1051 C ASP A 69 1.302 -6.675 2.223 1.00 0.00 C ATOM 1052 O ASP A 69 1.340 -7.896 2.377 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.778 -5.682 3.196 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.380 -4.690 4.172 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -0.908 -4.633 5.327 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -2.323 -3.971 3.781 1.00 0.00 O ATOM 0 H ASP A 69 1.014 -3.881 2.435 1.00 0.00 H new ATOM 0 HA ASP A 69 1.004 -6.191 4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.046 -5.395 2.179 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.208 -6.668 3.373 1.00 0.00 H new ATOM 1061 N TYR A 70 1.733 -6.072 1.120 1.00 0.00 N ATOM 1062 CA TYR A 70 2.285 -6.827 0.002 1.00 0.00 C ATOM 1063 C TYR A 70 3.702 -6.363 -0.323 1.00 0.00 C ATOM 1064 O TYR A 70 4.600 -7.175 -0.537 1.00 0.00 O ATOM 1065 CB TYR A 70 1.393 -6.679 -1.231 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.018 -7.180 -1.021 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -0.914 -6.482 -0.221 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.456 -8.353 -1.625 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.203 -6.937 -0.026 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -1.745 -8.815 -1.436 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.614 -8.104 -0.636 1.00 0.00 C ATOM 1072 OH TYR A 70 -3.898 -8.560 -0.445 1.00 0.00 O ATOM 0 H TYR A 70 1.710 -5.062 0.977 1.00 0.00 H new ATOM 0 HA TYR A 70 2.323 -7.877 0.291 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.357 -5.628 -1.519 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.843 -7.223 -2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.597 -5.567 0.257 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.222 -8.913 -2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.886 -6.382 0.601 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.070 -9.728 -1.913 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.475 -7.813 -0.183 1.00 0.00 H new ATOM 1082 N GLY A 71 3.893 -5.047 -0.356 1.00 0.00 N ATOM 1083 CA GLY A 71 5.202 -4.496 -0.655 1.00 0.00 C ATOM 1084 C GLY A 71 5.242 -3.791 -1.996 1.00 0.00 C ATOM 1085 O GLY A 71 6.191 -3.952 -2.761 1.00 0.00 O ATOM 0 H GLY A 71 3.165 -4.354 -0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.485 -3.794 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.941 -5.298 -0.647 1.00 0.00 H new ATOM 1089 N ASN A 72 4.206 -3.008 -2.283 1.00 0.00 N ATOM 1090 CA ASN A 72 4.126 -2.278 -3.542 1.00 0.00 C ATOM 1091 C ASN A 72 3.791 -0.809 -3.299 1.00 0.00 C ATOM 1092 O ASN A 72 3.158 -0.463 -2.302 1.00 0.00 O ATOM 1093 CB ASN A 72 3.072 -2.908 -4.455 1.00 0.00 C ATOM 1094 CG ASN A 72 1.728 -3.059 -3.768 1.00 0.00 C ATOM 1095 OD1 ASN A 72 1.559 -3.906 -2.890 1.00 0.00 O ATOM 1096 ND2 ASN A 72 0.765 -2.236 -4.165 1.00 0.00 N ATOM 0 H ASN A 72 3.411 -2.863 -1.660 1.00 0.00 H new ATOM 0 HA ASN A 72 5.100 -2.335 -4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.954 -2.293 -5.347 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.420 -3.887 -4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.160 -2.290 -3.739 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.950 -1.549 -4.896 1.00 0.00 H new ATOM 1103 N ARG A 73 4.221 0.050 -4.218 1.00 0.00 N ATOM 1104 CA ARG A 73 3.968 1.481 -4.103 1.00 0.00 C ATOM 1105 C ARG A 73 3.033 1.958 -5.211 1.00 0.00 C ATOM 1106 O ARG A 73 3.088 1.466 -6.337 1.00 0.00 O ATOM 1107 CB ARG A 73 5.284 2.259 -4.161 1.00 0.00 C ATOM 1108 CG ARG A 73 6.403 1.624 -3.354 1.00 0.00 C ATOM 1109 CD ARG A 73 7.769 1.974 -3.923 1.00 0.00 C ATOM 1110 NE ARG A 73 8.828 1.845 -2.925 1.00 0.00 N ATOM 1111 CZ ARG A 73 10.120 1.985 -3.202 1.00 0.00 C ATOM 1112 NH1 ARG A 73 10.510 2.257 -4.440 1.00 0.00 N ATOM 1113 NH2 ARG A 73 11.024 1.853 -2.240 1.00 0.00 N ATOM 0 H ARG A 73 4.746 -0.220 -5.050 1.00 0.00 H new ATOM 0 HA ARG A 73 3.488 1.664 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.600 2.344 -5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.114 3.272 -3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.342 1.960 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.278 0.541 -3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.987 1.322 -4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.752 2.995 -4.304 1.00 0.00 H new ATOM 0 HE ARG A 73 8.561 1.636 -1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.818 2.359 -5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.502 2.364 -4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.727 1.644 -1.287 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.016 1.961 -2.454 1.00 0.00 H new ATOM 1127 N GLU A 74 2.176 2.919 -4.881 1.00 0.00 N ATOM 1128 CA GLU A 74 1.228 3.461 -5.848 1.00 0.00 C ATOM 1129 C GLU A 74 0.793 4.870 -5.453 1.00 0.00 C ATOM 1130 O GLU A 74 0.644 5.176 -4.270 1.00 0.00 O ATOM 1131 CB GLU A 74 0.004 2.550 -5.961 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.011 3.021 -6.989 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.562 2.761 -8.414 1.00 0.00 C ATOM 1134 OE1 GLU A 74 0.040 1.695 -8.661 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -0.812 3.624 -9.282 1.00 0.00 O ATOM 0 H GLU A 74 2.118 3.338 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 74 1.725 3.511 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.333 1.544 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.481 2.484 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.961 2.516 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.188 4.088 -6.857 1.00 0.00 H new ATOM 1142 N VAL A 75 0.592 5.723 -6.452 1.00 0.00 N ATOM 1143 CA VAL A 75 0.174 7.098 -6.210 1.00 0.00 C ATOM 1144 C VAL A 75 -1.341 7.239 -6.317 1.00 0.00 C ATOM 1145 O VAL A 75 -1.891 7.331 -7.415 1.00 0.00 O ATOM 1146 CB VAL A 75 0.840 8.070 -7.203 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.322 9.485 -6.994 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.353 8.021 -7.061 1.00 0.00 C ATOM 0 H VAL A 75 0.712 5.486 -7.437 1.00 0.00 H new ATOM 0 HA VAL A 75 0.489 7.351 -5.198 1.00 0.00 H new ATOM 0 HB VAL A 75 0.583 7.761 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.804 10.157 -7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.757 9.504 -7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.547 9.809 -5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.808 8.713 -7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.633 8.305 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.705 7.010 -7.265 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.009 7.256 -5.169 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.462 7.387 -5.132 1.00 0.00 C ATOM 1160 C LEU A 76 -3.875 8.678 -4.433 1.00 0.00 C ATOM 1161 O LEU A 76 -3.165 9.203 -3.575 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.084 6.185 -4.418 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.567 4.811 -4.844 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.816 3.785 -3.749 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.223 4.374 -6.146 1.00 0.00 C ATOM 0 H LEU A 76 -1.569 7.181 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.825 7.420 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.917 6.298 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.162 6.211 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.492 4.883 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.442 2.813 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.299 4.091 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.886 3.715 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.843 3.394 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.303 4.318 -6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.994 5.096 -6.929 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.052 9.202 -4.805 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.588 10.437 -4.225 1.00 0.00 C ATOM 1179 C PRO A 77 -6.017 10.256 -2.772 1.00 0.00 C ATOM 1180 O PRO A 77 -5.986 9.147 -2.240 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.801 10.746 -5.106 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.216 9.426 -5.656 1.00 0.00 C ATOM 1183 CD PRO A 77 -5.951 8.630 -5.822 1.00 0.00 C ATOM 0 HA PRO A 77 -4.845 11.234 -4.205 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.604 11.204 -4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.544 11.444 -5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.908 8.922 -4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.730 9.545 -6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.121 7.566 -5.656 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.540 8.734 -6.826 1.00 0.00 H new ATOM 1191 N SER A 78 -6.416 11.353 -2.137 1.00 0.00 N ATOM 1192 CA SER A 78 -6.848 11.315 -0.745 1.00 0.00 C ATOM 1193 C SER A 78 -8.248 10.719 -0.626 1.00 0.00 C ATOM 1194 O SER A 78 -8.740 10.474 0.476 1.00 0.00 O ATOM 1195 CB SER A 78 -6.828 12.722 -0.144 1.00 0.00 C ATOM 1196 OG SER A 78 -7.783 13.559 -0.774 1.00 0.00 O ATOM 0 H SER A 78 -6.449 12.279 -2.564 1.00 0.00 H new ATOM 0 HA SER A 78 -6.154 10.681 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.036 12.667 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.833 13.154 -0.253 1.00 0.00 H new ATOM 0 HG SER A 78 -7.433 13.863 -1.637 1.00 0.00 H new ATOM 1202 N THR A 79 -8.885 10.488 -1.770 1.00 0.00 N ATOM 1203 CA THR A 79 -10.228 9.922 -1.796 1.00 0.00 C ATOM 1204 C THR A 79 -10.200 8.426 -1.505 1.00 0.00 C ATOM 1205 O THR A 79 -11.143 7.877 -0.935 1.00 0.00 O ATOM 1206 CB THR A 79 -10.909 10.156 -3.157 1.00 0.00 C ATOM 1207 OG1 THR A 79 -10.083 9.652 -4.212 1.00 0.00 O ATOM 1208 CG2 THR A 79 -11.179 11.636 -3.380 1.00 0.00 C ATOM 0 H THR A 79 -8.492 10.684 -2.691 1.00 0.00 H new ATOM 0 HA THR A 79 -10.800 10.429 -1.019 1.00 0.00 H new ATOM 0 HB THR A 79 -11.861 9.625 -3.157 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.524 9.803 -5.074 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.660 11.776 -4.348 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.833 12.009 -2.592 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.237 12.185 -3.360 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.112 7.772 -1.898 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.962 6.338 -1.680 1.00 0.00 C ATOM 1218 C ARG A 80 -8.297 6.060 -0.335 1.00 0.00 C ATOM 1219 O ARG A 80 -8.171 4.907 0.081 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.139 5.712 -2.807 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.212 6.483 -4.115 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.083 5.558 -5.315 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.719 6.114 -6.506 1.00 0.00 N ATOM 1224 CZ ARG A 80 -10.026 6.057 -6.736 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -10.832 5.472 -5.860 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -10.530 6.587 -7.843 1.00 0.00 N ATOM 0 H ARG A 80 -8.321 8.212 -2.369 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.956 5.891 -1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.098 5.646 -2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.486 4.693 -2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.158 7.021 -4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.419 7.230 -4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.028 5.375 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.534 4.594 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.127 6.571 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.449 5.064 -5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.835 5.430 -6.039 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.914 7.039 -8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.534 6.543 -8.018 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.872 7.123 0.340 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.219 6.994 1.638 1.00 0.00 C ATOM 1242 C LEU A 81 -8.187 7.322 2.770 1.00 0.00 C ATOM 1243 O LEU A 81 -8.979 8.258 2.671 1.00 0.00 O ATOM 1244 CB LEU A 81 -6.000 7.915 1.711 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.935 7.706 0.634 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.998 8.902 0.570 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.153 6.427 0.897 1.00 0.00 C ATOM 0 H LEU A 81 -7.968 8.083 0.010 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.893 5.960 1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.346 8.947 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.531 7.787 2.687 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.435 7.610 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.247 8.735 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.569 9.799 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.505 9.030 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.400 6.295 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.664 6.493 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.834 5.576 0.890 1.00 0.00 H new ATOM 1259 N GLY A 82 -8.115 6.545 3.847 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.990 6.771 4.983 1.00 0.00 C ATOM 1261 C GLY A 82 -8.288 6.545 6.308 1.00 0.00 C ATOM 1262 O GLY A 82 -7.133 6.119 6.344 1.00 0.00 O ATOM 0 H GLY A 82 -7.467 5.764 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.372 7.791 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.851 6.106 4.913 1.00 0.00 H new ATOM 1266 N THR A 83 -8.987 6.832 7.402 1.00 0.00 N ATOM 1267 CA THR A 83 -8.423 6.660 8.735 1.00 0.00 C ATOM 1268 C THR A 83 -8.283 5.184 9.087 1.00 0.00 C ATOM 1269 O THR A 83 -9.275 4.461 9.184 1.00 0.00 O ATOM 1270 CB THR A 83 -9.291 7.351 9.805 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.713 8.637 9.338 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.522 7.506 11.108 1.00 0.00 C ATOM 0 H THR A 83 -9.944 7.184 7.391 1.00 0.00 H new ATOM 0 HA THR A 83 -7.436 7.123 8.723 1.00 0.00 H new ATOM 0 HB THR A 83 -10.166 6.727 9.990 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.265 9.069 10.023 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.155 7.996 11.848 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.228 6.523 11.476 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.631 8.110 10.935 1.00 0.00 H new ATOM 1280 N LEU A 84 -7.045 4.742 9.278 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.773 3.350 9.621 1.00 0.00 C ATOM 1282 C LEU A 84 -7.158 3.060 11.068 1.00 0.00 C ATOM 1283 O LEU A 84 -6.595 3.637 11.998 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.294 3.028 9.400 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.782 1.743 10.051 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.458 0.527 9.436 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.270 1.641 9.914 1.00 0.00 C ATOM 0 H LEU A 84 -6.213 5.327 9.201 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.377 2.717 8.970 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.113 2.965 8.327 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.701 3.862 9.775 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.029 1.773 11.112 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.081 -0.378 9.912 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.535 0.595 9.587 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.243 0.492 8.368 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.923 0.720 10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.000 1.634 8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.802 2.496 10.403 1.00 0.00 H new ATOM 1299 N SER A 85 -8.120 2.161 11.250 1.00 0.00 N ATOM 1300 CA SER A 85 -8.582 1.796 12.584 1.00 0.00 C ATOM 1301 C SER A 85 -7.461 1.142 13.387 1.00 0.00 C ATOM 1302 O SER A 85 -6.622 0.416 12.853 1.00 0.00 O ATOM 1303 CB SER A 85 -9.778 0.846 12.491 1.00 0.00 C ATOM 1304 OG SER A 85 -10.166 0.387 13.774 1.00 0.00 O ATOM 0 H SER A 85 -8.594 1.672 10.491 1.00 0.00 H new ATOM 0 HA SER A 85 -8.890 2.707 13.097 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.616 1.356 12.015 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.522 -0.005 11.859 1.00 0.00 H new ATOM 0 HG SER A 85 -10.933 -0.217 13.687 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.445 1.405 14.702 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.433 0.852 15.607 1.00 0.00 C ATOM 1312 C PRO A 86 -6.595 -0.650 15.810 1.00 0.00 C ATOM 1313 O PRO A 86 -5.648 -1.342 16.183 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.685 1.599 16.919 1.00 0.00 C ATOM 1315 CG PRO A 86 -8.119 2.000 16.858 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.413 2.262 15.406 1.00 0.00 C ATOM 0 HA PRO A 86 -5.424 0.978 15.215 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.489 0.962 17.781 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.034 2.469 17.011 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.762 1.212 17.251 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.302 2.890 17.460 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.440 2.002 15.151 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.278 3.313 15.152 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.802 -1.149 15.563 1.00 0.00 N ATOM 1325 CA ALA A 87 -8.087 -2.570 15.716 1.00 0.00 C ATOM 1326 C ALA A 87 -7.504 -3.375 14.559 1.00 0.00 C ATOM 1327 O ALA A 87 -7.093 -4.523 14.733 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.588 -2.800 15.817 1.00 0.00 C ATOM 0 H ALA A 87 -8.598 -0.590 15.256 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.615 -2.912 16.637 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.786 -3.866 15.931 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.981 -2.264 16.681 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.074 -2.436 14.912 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.471 -2.767 13.378 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.939 -3.428 12.192 1.00 0.00 C ATOM 1336 C PHE A 88 -5.539 -2.917 11.867 1.00 0.00 C ATOM 1337 O PHE A 88 -4.871 -3.433 10.970 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.867 -3.201 10.997 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.318 -3.430 11.312 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.738 -4.625 11.875 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.262 -2.451 11.045 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -11.072 -4.839 12.166 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.597 -2.660 11.335 1.00 0.00 C ATOM 1344 CZ PHE A 88 -12.003 -3.855 11.895 1.00 0.00 C ATOM 0 H PHE A 88 -7.806 -1.817 13.217 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.878 -4.497 12.398 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.739 -2.180 10.636 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.570 -3.866 10.186 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.014 -5.398 12.089 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.951 -1.515 10.606 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.386 -5.774 12.605 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.323 -1.889 11.124 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.046 -4.020 12.121 1.00 0.00 H new ATOM 1354 N SER A 89 -5.100 -1.901 12.602 1.00 0.00 N ATOM 1355 CA SER A 89 -3.781 -1.317 12.390 1.00 0.00 C ATOM 1356 C SER A 89 -2.690 -2.374 12.531 1.00 0.00 C ATOM 1357 O SER A 89 -2.796 -3.289 13.348 1.00 0.00 O ATOM 1358 CB SER A 89 -3.537 -0.180 13.385 1.00 0.00 C ATOM 1359 OG SER A 89 -3.265 -0.686 14.681 1.00 0.00 O ATOM 0 H SER A 89 -5.639 -1.465 13.350 1.00 0.00 H new ATOM 0 HA SER A 89 -3.747 -0.917 11.377 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.700 0.430 13.046 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.411 0.470 13.421 1.00 0.00 H new ATOM 0 HG SER A 89 -4.108 -0.902 15.132 1.00 0.00 H new ATOM 1365 N THR A 90 -1.639 -2.242 11.727 1.00 0.00 N ATOM 1366 CA THR A 90 -0.529 -3.185 11.759 1.00 0.00 C ATOM 1367 C THR A 90 -0.027 -3.394 13.183 1.00 0.00 C ATOM 1368 O THR A 90 0.670 -4.368 13.469 1.00 0.00 O ATOM 1369 CB THR A 90 0.641 -2.705 10.880 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.705 -3.664 10.913 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.155 -1.354 11.353 1.00 0.00 C ATOM 0 H THR A 90 -1.534 -1.490 11.046 1.00 0.00 H new ATOM 0 HA THR A 90 -0.905 -4.130 11.366 1.00 0.00 H new ATOM 0 HB THR A 90 0.278 -2.600 9.857 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.531 -4.321 11.619 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.981 -1.036 10.717 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.351 -0.620 11.299 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.502 -1.437 12.383 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.385 -2.475 14.073 1.00 0.00 N ATOM 1380 CA ARG A 91 0.030 -2.560 15.468 1.00 0.00 C ATOM 1381 C ARG A 91 -0.215 -3.959 16.025 1.00 0.00 C ATOM 1382 O ARG A 91 0.460 -4.395 16.957 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.722 -1.526 16.310 1.00 0.00 C ATOM 1384 CG ARG A 91 -0.336 -0.090 15.998 1.00 0.00 C ATOM 1385 CD ARG A 91 -1.293 0.898 16.646 1.00 0.00 C ATOM 1386 NE ARG A 91 -1.108 0.972 18.092 1.00 0.00 N ATOM 1387 CZ ARG A 91 -1.824 1.761 18.886 1.00 0.00 C ATOM 1388 NH1 ARG A 91 -2.768 2.540 18.375 1.00 0.00 N ATOM 1389 NH2 ARG A 91 -1.596 1.772 20.193 1.00 0.00 N ATOM 0 H ARG A 91 -0.962 -1.663 13.853 1.00 0.00 H new ATOM 0 HA ARG A 91 1.099 -2.351 15.516 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.793 -1.649 16.149 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.534 -1.723 17.365 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.678 0.100 16.350 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.332 0.060 14.918 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.143 1.886 16.211 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.320 0.605 16.427 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.389 0.386 18.516 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.946 2.534 17.371 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.316 3.145 18.986 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.870 1.174 20.589 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.146 2.378 20.802 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.186 -4.659 15.446 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.520 -6.009 15.883 1.00 0.00 C ATOM 1405 C VAL A 92 -0.816 -7.055 15.024 1.00 0.00 C ATOM 1406 O VAL A 92 -0.350 -8.077 15.528 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.039 -6.257 15.831 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.402 -7.517 16.601 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.793 -5.053 16.377 1.00 0.00 C ATOM 0 H VAL A 92 -1.755 -4.313 14.673 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.180 -6.100 16.914 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.331 -6.400 14.791 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.479 -7.675 16.553 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.889 -8.373 16.161 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.098 -7.408 17.642 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.865 -5.245 16.333 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.498 -4.877 17.411 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.557 -4.174 15.778 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.742 -6.791 13.724 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.095 -7.709 12.793 1.00 0.00 C ATOM 1421 C LEU A 93 1.065 -7.027 12.075 1.00 0.00 C ATOM 1422 O LEU A 93 0.967 -5.883 11.632 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.107 -8.230 11.772 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.724 -9.518 11.043 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.739 -10.699 12.002 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.663 -9.768 9.872 1.00 0.00 C ATOM 0 H LEU A 93 -1.122 -5.949 13.291 1.00 0.00 H new ATOM 0 HA LEU A 93 0.299 -8.549 13.365 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.056 -8.394 12.282 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.275 -7.452 11.028 1.00 0.00 H new ATOM 0 HG LEU A 93 0.288 -9.405 10.654 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.464 -11.607 11.465 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.026 -10.523 12.807 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.738 -10.814 12.422 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.375 -10.689 9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.685 -9.860 10.239 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.602 -8.934 9.172 1.00 0.00 H new ATOM 1438 N PRO A 94 2.191 -7.747 11.952 1.00 0.00 N ATOM 1439 CA PRO A 94 3.390 -7.232 11.285 1.00 0.00 C ATOM 1440 C PRO A 94 3.200 -7.091 9.779 1.00 0.00 C ATOM 1441 O PRO A 94 2.561 -7.929 9.143 1.00 0.00 O ATOM 1442 CB PRO A 94 4.450 -8.293 11.593 1.00 0.00 C ATOM 1443 CG PRO A 94 3.677 -9.544 11.827 1.00 0.00 C ATOM 1444 CD PRO A 94 2.379 -9.118 12.455 1.00 0.00 C ATOM 0 HA PRO A 94 3.653 -6.233 11.633 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.148 -8.408 10.763 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.039 -8.022 12.469 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.502 -10.075 10.891 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.223 -10.223 12.482 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.557 -9.770 12.161 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.432 -9.143 13.543 1.00 0.00 H new ATOM 1452 N ALA A 95 3.761 -6.027 9.213 1.00 0.00 N ATOM 1453 CA ALA A 95 3.655 -5.778 7.781 1.00 0.00 C ATOM 1454 C ALA A 95 4.213 -6.948 6.978 1.00 0.00 C ATOM 1455 O ALA A 95 5.405 -7.246 7.045 1.00 0.00 O ATOM 1456 CB ALA A 95 4.378 -4.491 7.414 1.00 0.00 C ATOM 0 H ALA A 95 4.294 -5.324 9.725 1.00 0.00 H new ATOM 0 HA ALA A 95 2.599 -5.672 7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.291 -4.318 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.931 -3.656 7.954 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.431 -4.576 7.683 1.00 0.00 H new ATOM 1462 N GLN A 96 3.343 -7.608 6.220 1.00 0.00 N ATOM 1463 CA GLN A 96 3.750 -8.747 5.405 1.00 0.00 C ATOM 1464 C GLN A 96 4.401 -8.282 4.107 1.00 0.00 C ATOM 1465 O GLN A 96 4.849 -9.096 3.299 1.00 0.00 O ATOM 1466 CB GLN A 96 2.544 -9.636 5.095 1.00 0.00 C ATOM 1467 CG GLN A 96 1.818 -10.131 6.335 1.00 0.00 C ATOM 1468 CD GLN A 96 2.676 -11.045 7.188 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.316 -11.967 6.680 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.695 -10.794 8.491 1.00 0.00 N ATOM 0 H GLN A 96 2.352 -7.374 6.153 1.00 0.00 H new ATOM 0 HA GLN A 96 4.482 -9.324 5.971 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.844 -9.080 4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.877 -10.495 4.512 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.501 -9.276 6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.915 -10.662 6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.149 -10.020 8.869 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.255 -11.375 9.114 1.00 0.00 H new ATOM 1479 N ALA A 97 4.451 -6.968 3.913 1.00 0.00 N ATOM 1480 CA ALA A 97 5.049 -6.395 2.713 1.00 0.00 C ATOM 1481 C ALA A 97 6.501 -6.837 2.559 1.00 0.00 C ATOM 1482 O ALA A 97 7.185 -7.112 3.545 1.00 0.00 O ATOM 1483 CB ALA A 97 4.959 -4.877 2.752 1.00 0.00 C ATOM 0 H ALA A 97 4.085 -6.280 4.571 1.00 0.00 H new ATOM 0 HA ALA A 97 4.492 -6.759 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.409 -4.463 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.913 -4.576 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.490 -4.503 3.627 1.00 0.00 H new ATOM 1489 N THR A 98 6.966 -6.903 1.315 1.00 0.00 N ATOM 1490 CA THR A 98 8.335 -7.313 1.032 1.00 0.00 C ATOM 1491 C THR A 98 9.277 -6.114 1.019 1.00 0.00 C ATOM 1492 O THR A 98 10.317 -6.124 1.675 1.00 0.00 O ATOM 1493 CB THR A 98 8.435 -8.045 -0.320 1.00 0.00 C ATOM 1494 OG1 THR A 98 7.910 -9.372 -0.199 1.00 0.00 O ATOM 1495 CG2 THR A 98 9.878 -8.106 -0.797 1.00 0.00 C ATOM 0 H THR A 98 6.414 -6.678 0.488 1.00 0.00 H new ATOM 0 HA THR A 98 8.631 -7.995 1.829 1.00 0.00 H new ATOM 0 HB THR A 98 7.850 -7.489 -1.053 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.976 -9.830 -1.063 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.923 -8.627 -1.753 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.265 -7.094 -0.917 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.481 -8.641 -0.063 1.00 0.00 H new ATOM 1503 N GLU A 99 8.903 -5.083 0.268 1.00 0.00 N ATOM 1504 CA GLU A 99 9.716 -3.876 0.170 1.00 0.00 C ATOM 1505 C GLU A 99 9.420 -2.926 1.327 1.00 0.00 C ATOM 1506 O GLU A 99 9.618 -1.716 1.217 1.00 0.00 O ATOM 1507 CB GLU A 99 9.461 -3.169 -1.163 1.00 0.00 C ATOM 1508 CG GLU A 99 10.068 -3.886 -2.357 1.00 0.00 C ATOM 1509 CD GLU A 99 9.922 -3.099 -3.645 1.00 0.00 C ATOM 1510 OE1 GLU A 99 10.302 -1.909 -3.659 1.00 0.00 O ATOM 1511 OE2 GLU A 99 9.430 -3.672 -4.639 1.00 0.00 O ATOM 0 H GLU A 99 8.044 -5.059 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 99 10.764 -4.170 0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.386 -3.074 -1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.866 -2.158 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.125 -4.071 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.590 -4.859 -2.474 1.00 0.00 H new ATOM 1518 N TYR A 100 8.943 -3.482 2.435 1.00 0.00 N ATOM 1519 CA TYR A 100 8.617 -2.685 3.611 1.00 0.00 C ATOM 1520 C TYR A 100 9.882 -2.157 4.280 1.00 0.00 C ATOM 1521 O TYR A 100 9.936 -1.004 4.708 1.00 0.00 O ATOM 1522 CB TYR A 100 7.810 -3.517 4.609 1.00 0.00 C ATOM 1523 CG TYR A 100 7.770 -2.925 6.000 1.00 0.00 C ATOM 1524 CD1 TYR A 100 6.986 -1.812 6.280 1.00 0.00 C ATOM 1525 CD2 TYR A 100 8.515 -3.478 7.033 1.00 0.00 C ATOM 1526 CE1 TYR A 100 6.948 -1.267 7.549 1.00 0.00 C ATOM 1527 CE2 TYR A 100 8.482 -2.941 8.305 1.00 0.00 C ATOM 1528 CZ TYR A 100 7.697 -1.835 8.558 1.00 0.00 C ATOM 1529 OH TYR A 100 7.660 -1.296 9.824 1.00 0.00 O ATOM 0 H TYR A 100 8.774 -4.482 2.543 1.00 0.00 H new ATOM 0 HA TYR A 100 8.017 -1.835 3.286 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.790 -3.623 4.239 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.236 -4.519 4.662 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.397 -1.366 5.493 1.00 0.00 H new ATOM 0 HD2 TYR A 100 9.131 -4.343 6.838 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.335 -0.401 7.750 1.00 0.00 H new ATOM 0 HE2 TYR A 100 9.067 -3.384 9.097 1.00 0.00 H new ATOM 0 HH TYR A 100 8.243 -1.814 10.417 1.00 0.00 H new ATOM 1539 N ALA A 101 10.899 -3.008 4.364 1.00 0.00 N ATOM 1540 CA ALA A 101 12.166 -2.628 4.977 1.00 0.00 C ATOM 1541 C ALA A 101 12.882 -1.569 4.146 1.00 0.00 C ATOM 1542 O ALA A 101 13.320 -0.545 4.671 1.00 0.00 O ATOM 1543 CB ALA A 101 13.054 -3.850 5.156 1.00 0.00 C ATOM 0 H ALA A 101 10.870 -3.966 4.015 1.00 0.00 H new ATOM 0 HA ALA A 101 11.953 -2.201 5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.996 -3.551 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.552 -4.574 5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.251 -4.302 4.184 1.00 0.00 H new ATOM 1549 N PHE A 102 12.997 -1.821 2.846 1.00 0.00 N ATOM 1550 CA PHE A 102 13.662 -0.890 1.942 1.00 0.00 C ATOM 1551 C PHE A 102 12.681 0.158 1.423 1.00 0.00 C ATOM 1552 O PHE A 102 12.698 0.509 0.244 1.00 0.00 O ATOM 1553 CB PHE A 102 14.288 -1.645 0.768 1.00 0.00 C ATOM 1554 CG PHE A 102 15.305 -2.668 1.187 1.00 0.00 C ATOM 1555 CD1 PHE A 102 16.510 -2.277 1.747 1.00 0.00 C ATOM 1556 CD2 PHE A 102 15.056 -4.021 1.019 1.00 0.00 C ATOM 1557 CE1 PHE A 102 17.448 -3.216 2.134 1.00 0.00 C ATOM 1558 CE2 PHE A 102 15.989 -4.964 1.405 1.00 0.00 C ATOM 1559 CZ PHE A 102 17.187 -4.561 1.962 1.00 0.00 C ATOM 0 H PHE A 102 12.638 -2.663 2.395 1.00 0.00 H new ATOM 0 HA PHE A 102 14.449 -0.381 2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.499 -2.140 0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.761 -0.929 0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 102 16.719 -1.226 1.883 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.122 -4.342 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 102 18.383 -2.898 2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 102 15.782 -6.015 1.271 1.00 0.00 H new ATOM 0 HZ PHE A 102 17.918 -5.297 2.262 1.00 0.00 H new ATOM 1569 N ALA A 103 11.827 0.652 2.313 1.00 0.00 N ATOM 1570 CA ALA A 103 10.840 1.660 1.946 1.00 0.00 C ATOM 1571 C ALA A 103 10.907 2.861 2.884 1.00 0.00 C ATOM 1572 O ALA A 103 10.594 3.985 2.493 1.00 0.00 O ATOM 1573 CB ALA A 103 9.443 1.058 1.955 1.00 0.00 C ATOM 0 H ALA A 103 11.799 0.371 3.293 1.00 0.00 H new ATOM 0 HA ALA A 103 11.068 2.006 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.716 1.822 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.396 0.237 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.215 0.683 2.953 1.00 0.00 H new ATOM 1579 N PHE A 104 11.315 2.614 4.125 1.00 0.00 N ATOM 1580 CA PHE A 104 11.421 3.676 5.119 1.00 0.00 C ATOM 1581 C PHE A 104 12.680 3.505 5.965 1.00 0.00 C ATOM 1582 O PHE A 104 12.990 2.403 6.418 1.00 0.00 O ATOM 1583 CB PHE A 104 10.185 3.684 6.021 1.00 0.00 C ATOM 1584 CG PHE A 104 8.980 4.310 5.379 1.00 0.00 C ATOM 1585 CD1 PHE A 104 8.173 3.576 4.524 1.00 0.00 C ATOM 1586 CD2 PHE A 104 8.653 5.633 5.631 1.00 0.00 C ATOM 1587 CE1 PHE A 104 7.065 4.150 3.932 1.00 0.00 C ATOM 1588 CE2 PHE A 104 7.545 6.212 5.042 1.00 0.00 C ATOM 1589 CZ PHE A 104 6.749 5.469 4.192 1.00 0.00 C ATOM 0 H PHE A 104 11.577 1.689 4.466 1.00 0.00 H new ATOM 0 HA PHE A 104 11.484 4.628 4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.945 2.659 6.304 1.00 0.00 H new ATOM 0 HB3 PHE A 104 10.419 4.222 6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.413 2.543 4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 104 9.271 6.218 6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.446 3.567 3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.302 7.244 5.246 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.882 5.919 3.732 1.00 0.00 H new TER 1599 PHE A 104