USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 766 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 20 LYS NZ :NH3+ 177:sc= 1.32 (180deg=1.26) USER MOD Set 1.2: A 88 THR OG1 : rot -119:sc= 1.08 USER MOD Set 2.1: A 78 HIS : no HE2:sc= -1.65 K(o=-0.32,f=-6.4!) USER MOD Set 2.2: B 208 THR OG1 : rot 102:sc= 1.33 USER MOD Set 3.1: A 8 MET CE :methyl -163:sc= -0.0642 (180deg=-0.543) USER MOD Set 3.2: A 100 GLN : amide:sc= 0 K(o=-0.064,f=-1.1) USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= 1.17 (180deg=0.478) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 36 SER OG : rot 34:sc= 0.238 USER MOD Single : A 39 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=-0.07) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -46:sc= 0.0935 USER MOD Single : A 60 HIS : no HD1:sc= 0.55 K(o=0.55,f=-4.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.0211 X(o=0.021,f=-0.26) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.749 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.4) USER MOD Single : A 84 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 87 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.2) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 98 LYS NZ :NH3+ -164:sc= 2.4 (180deg=2.21) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -16.838 -10.422 0.438 1.00 0.00 N ATOM 2 CA MET A 8 -15.418 -10.277 0.345 1.00 0.00 C ATOM 3 C MET A 8 -14.893 -11.353 -0.542 1.00 0.00 C ATOM 4 O MET A 8 -15.588 -12.334 -0.806 1.00 0.00 O ATOM 5 CB MET A 8 -14.753 -10.331 1.729 1.00 0.00 C ATOM 6 CG MET A 8 -15.348 -9.340 2.731 1.00 0.00 C ATOM 7 SD MET A 8 -14.537 -9.329 4.358 1.00 0.00 S ATOM 8 CE MET A 8 -14.975 -11.015 4.873 1.00 0.00 C ATOM 0 HA MET A 8 -15.182 -9.300 -0.077 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.847 -11.341 2.129 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.687 -10.129 1.619 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.294 -8.338 2.306 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.404 -9.572 2.868 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.839 -11.113 5.950 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.016 -11.214 4.619 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.333 -11.731 4.359 1.00 0.00 H new ATOM 18 N LYS A 9 -13.654 -11.230 -1.049 1.00 0.00 N ATOM 19 CA LYS A 9 -13.071 -12.235 -1.883 1.00 0.00 C ATOM 20 C LYS A 9 -11.717 -12.577 -1.362 1.00 0.00 C ATOM 21 O LYS A 9 -11.116 -11.753 -0.674 1.00 0.00 O ATOM 22 CB LYS A 9 -12.959 -11.788 -3.350 1.00 0.00 C ATOM 23 CG LYS A 9 -14.315 -11.593 -4.032 1.00 0.00 C ATOM 24 CD LYS A 9 -14.271 -11.494 -5.558 1.00 0.00 C ATOM 25 CE LYS A 9 -13.576 -10.264 -6.147 1.00 0.00 C ATOM 26 NZ LYS A 9 -12.163 -10.526 -6.501 1.00 0.00 N ATOM 0 H LYS A 9 -13.050 -10.426 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.725 -13.106 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.400 -10.853 -3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.385 -12.530 -3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.964 -12.424 -3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.774 -10.686 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.772 -12.384 -5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.295 -11.517 -5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.115 -9.937 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.621 -9.446 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.653 -9.623 -6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.721 -11.105 -5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.121 -11.033 -7.408 1.00 0.00 H new ATOM 40 N PRO A 10 -11.173 -13.730 -1.616 1.00 0.00 N ATOM 41 CA PRO A 10 -9.790 -14.011 -1.358 1.00 0.00 C ATOM 42 C PRO A 10 -8.905 -13.378 -2.375 1.00 0.00 C ATOM 43 O PRO A 10 -9.132 -13.525 -3.576 1.00 0.00 O ATOM 44 CB PRO A 10 -9.705 -15.534 -1.430 1.00 0.00 C ATOM 45 CG PRO A 10 -10.808 -15.931 -2.424 1.00 0.00 C ATOM 46 CD PRO A 10 -11.897 -14.897 -2.096 1.00 0.00 C ATOM 0 HA PRO A 10 -9.459 -13.614 -0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.724 -15.862 -1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.869 -15.988 -0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.473 -15.861 -3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.152 -16.954 -2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.493 -14.658 -2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.585 -15.274 -1.339 1.00 0.00 H new ATOM 54 N GLY A 11 -7.862 -12.642 -1.950 1.00 0.00 N ATOM 55 CA GLY A 11 -6.845 -12.154 -2.827 1.00 0.00 C ATOM 56 C GLY A 11 -7.281 -11.151 -3.840 1.00 0.00 C ATOM 57 O GLY A 11 -6.845 -11.186 -4.990 1.00 0.00 O ATOM 0 H GLY A 11 -7.723 -12.380 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.054 -11.710 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.407 -13.003 -3.351 1.00 0.00 H new ATOM 61 N ASP A 12 -8.156 -10.205 -3.455 1.00 0.00 N ATOM 62 CA ASP A 12 -8.607 -9.159 -4.321 1.00 0.00 C ATOM 63 C ASP A 12 -7.585 -8.076 -4.366 1.00 0.00 C ATOM 64 O ASP A 12 -7.282 -7.485 -3.332 1.00 0.00 O ATOM 65 CB ASP A 12 -9.954 -8.640 -3.791 1.00 0.00 C ATOM 66 CG ASP A 12 -10.661 -7.774 -4.824 1.00 0.00 C ATOM 67 OD1 ASP A 12 -10.897 -8.301 -5.944 1.00 0.00 O ATOM 68 OD2 ASP A 12 -10.998 -6.593 -4.543 1.00 0.00 O ATOM 0 H ASP A 12 -8.560 -10.166 -2.519 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.745 -9.528 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.591 -9.483 -3.524 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.791 -8.063 -2.881 1.00 0.00 H new ATOM 73 N THR A 13 -6.994 -7.765 -5.534 1.00 0.00 N ATOM 74 CA THR A 13 -6.099 -6.657 -5.673 1.00 0.00 C ATOM 75 C THR A 13 -6.830 -5.420 -6.067 1.00 0.00 C ATOM 76 O THR A 13 -7.708 -5.427 -6.928 1.00 0.00 O ATOM 77 CB THR A 13 -4.916 -6.857 -6.573 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.266 -7.461 -7.809 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.906 -7.783 -5.874 1.00 0.00 C ATOM 0 H THR A 13 -7.140 -8.291 -6.396 1.00 0.00 H new ATOM 0 HA THR A 13 -5.673 -6.556 -4.675 1.00 0.00 H new ATOM 0 HB THR A 13 -4.498 -5.871 -6.776 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.463 -7.568 -8.360 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.042 -7.934 -6.521 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.583 -7.328 -4.938 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.377 -8.744 -5.667 1.00 0.00 H new ATOM 87 N PHE A 14 -6.496 -4.294 -5.410 1.00 0.00 N ATOM 88 CA PHE A 14 -7.058 -3.006 -5.671 1.00 0.00 C ATOM 89 C PHE A 14 -5.938 -2.033 -5.802 1.00 0.00 C ATOM 90 O PHE A 14 -4.958 -2.071 -5.060 1.00 0.00 O ATOM 91 CB PHE A 14 -8.148 -2.461 -4.731 1.00 0.00 C ATOM 92 CG PHE A 14 -8.078 -2.819 -3.286 1.00 0.00 C ATOM 93 CD1 PHE A 14 -8.052 -4.123 -2.851 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.158 -1.825 -2.340 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.977 -4.428 -1.511 1.00 0.00 C ATOM 96 CE2 PHE A 14 -8.032 -2.108 -1.000 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.953 -3.415 -0.582 1.00 0.00 C ATOM 0 H PHE A 14 -5.802 -4.282 -4.663 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.627 -3.144 -6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.138 -1.374 -4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.113 -2.797 -5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.091 -4.924 -3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.323 -0.805 -2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.937 -5.459 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.995 -1.305 -0.278 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.873 -3.645 0.470 1.00 0.00 H new ATOM 107 N GLU A 15 -6.054 -1.143 -6.803 1.00 0.00 N ATOM 108 CA GLU A 15 -5.045 -0.205 -7.189 1.00 0.00 C ATOM 109 C GLU A 15 -5.509 1.176 -6.877 1.00 0.00 C ATOM 110 O GLU A 15 -5.998 1.923 -7.724 1.00 0.00 O ATOM 111 CB GLU A 15 -4.690 -0.386 -8.674 1.00 0.00 C ATOM 112 CG GLU A 15 -4.494 -1.841 -9.108 1.00 0.00 C ATOM 113 CD GLU A 15 -4.312 -1.927 -10.617 1.00 0.00 C ATOM 114 OE1 GLU A 15 -5.277 -1.594 -11.356 1.00 0.00 O ATOM 115 OE2 GLU A 15 -3.204 -2.304 -11.083 1.00 0.00 O ATOM 0 H GLU A 15 -6.897 -1.074 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.131 -0.384 -6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.480 0.057 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.776 0.169 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.623 -2.262 -8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.355 -2.436 -8.805 1.00 0.00 H new ATOM 122 N VAL A 16 -5.457 1.544 -5.585 1.00 0.00 N ATOM 123 CA VAL A 16 -6.042 2.721 -5.021 1.00 0.00 C ATOM 124 C VAL A 16 -5.160 3.922 -5.019 1.00 0.00 C ATOM 125 O VAL A 16 -4.100 3.920 -4.394 1.00 0.00 O ATOM 126 CB VAL A 16 -6.420 2.505 -3.585 1.00 0.00 C ATOM 127 CG1 VAL A 16 -7.530 3.507 -3.225 1.00 0.00 C ATOM 128 CG2 VAL A 16 -6.870 1.055 -3.346 1.00 0.00 C ATOM 0 H VAL A 16 -4.973 0.980 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.900 2.905 -5.667 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.556 2.673 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.822 3.369 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.163 4.523 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.394 3.340 -3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.138 0.925 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.735 0.835 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.056 0.375 -3.599 1.00 0.00 H new ATOM 138 N GLU A 17 -5.557 5.043 -5.646 1.00 0.00 N ATOM 139 CA GLU A 17 -4.830 6.275 -5.607 1.00 0.00 C ATOM 140 C GLU A 17 -5.428 7.201 -4.605 1.00 0.00 C ATOM 141 O GLU A 17 -6.590 7.599 -4.670 1.00 0.00 O ATOM 142 CB GLU A 17 -4.675 6.830 -7.033 1.00 0.00 C ATOM 143 CG GLU A 17 -4.652 8.344 -7.256 1.00 0.00 C ATOM 144 CD GLU A 17 -4.435 8.619 -8.737 1.00 0.00 C ATOM 145 OE1 GLU A 17 -5.272 8.156 -9.557 1.00 0.00 O ATOM 146 OE2 GLU A 17 -3.406 9.245 -9.109 1.00 0.00 O ATOM 0 H GLU A 17 -6.413 5.095 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.811 6.122 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.749 6.426 -7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.491 6.424 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.590 8.789 -6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.856 8.800 -6.667 1.00 0.00 H new ATOM 153 N LEU A 18 -4.640 7.531 -3.565 1.00 0.00 N ATOM 154 CA LEU A 18 -5.017 8.421 -2.511 1.00 0.00 C ATOM 155 C LEU A 18 -3.813 9.209 -2.128 1.00 0.00 C ATOM 156 O LEU A 18 -2.698 8.937 -2.570 1.00 0.00 O ATOM 157 CB LEU A 18 -5.596 7.728 -1.266 1.00 0.00 C ATOM 158 CG LEU A 18 -4.828 6.502 -0.742 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.967 6.387 0.785 1.00 0.00 C ATOM 160 CD2 LEU A 18 -5.384 5.201 -1.345 1.00 0.00 C ATOM 0 H LEU A 18 -3.696 7.160 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.822 9.050 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.654 8.463 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.617 7.420 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.785 6.638 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.417 5.514 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.563 7.283 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.020 6.282 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.822 4.351 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.435 5.095 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.289 5.233 -2.430 1.00 0.00 H new ATOM 172 N ALA A 19 -3.990 10.241 -1.285 1.00 0.00 N ATOM 173 CA ALA A 19 -2.918 11.076 -0.835 1.00 0.00 C ATOM 174 C ALA A 19 -2.794 11.005 0.648 1.00 0.00 C ATOM 175 O ALA A 19 -3.778 10.975 1.384 1.00 0.00 O ATOM 176 CB ALA A 19 -3.140 12.527 -1.294 1.00 0.00 C ATOM 0 H ALA A 19 -4.900 10.503 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.987 10.717 -1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.316 13.149 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.184 12.562 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.077 12.900 -0.881 1.00 0.00 H new ATOM 182 N LYS A 20 -1.545 10.995 1.147 1.00 0.00 N ATOM 183 CA LYS A 20 -1.179 11.039 2.529 1.00 0.00 C ATOM 184 C LYS A 20 -1.587 12.311 3.189 1.00 0.00 C ATOM 185 O LYS A 20 -1.582 13.374 2.569 1.00 0.00 O ATOM 186 CB LYS A 20 0.346 10.884 2.653 1.00 0.00 C ATOM 187 CG LYS A 20 1.064 11.573 1.491 1.00 0.00 C ATOM 188 CD LYS A 20 2.499 12.049 1.727 1.00 0.00 C ATOM 189 CE LYS A 20 3.575 10.974 1.566 1.00 0.00 C ATOM 190 NZ LYS A 20 4.892 11.604 1.330 1.00 0.00 N ATOM 0 H LYS A 20 -0.729 10.953 0.536 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.701 10.223 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.683 11.311 3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.607 9.826 2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.073 10.884 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.469 12.436 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.714 12.862 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.567 12.461 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.616 10.352 2.460 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.323 10.318 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.624 10.867 1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.867 12.137 0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.113 12.251 2.114 1.00 0.00 H new ATOM 204 N THR A 21 -1.959 12.262 4.481 1.00 0.00 N ATOM 205 CA THR A 21 -2.369 13.398 5.247 1.00 0.00 C ATOM 206 C THR A 21 -1.248 13.837 6.124 1.00 0.00 C ATOM 207 O THR A 21 -0.895 13.196 7.113 1.00 0.00 O ATOM 208 CB THR A 21 -3.691 13.198 5.927 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.239 14.413 6.416 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.691 12.175 7.076 1.00 0.00 C ATOM 0 H THR A 21 -1.975 11.393 5.015 1.00 0.00 H new ATOM 0 HA THR A 21 -2.578 14.233 4.578 1.00 0.00 H new ATOM 0 HB THR A 21 -4.311 12.792 5.128 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.100 14.233 6.849 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.693 12.104 7.500 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.389 11.200 6.695 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.992 12.495 7.848 1.00 0.00 H new ATOM 218 N ASP A 22 -0.546 14.908 5.714 1.00 0.00 N ATOM 219 CA ASP A 22 0.646 15.464 6.275 1.00 0.00 C ATOM 220 C ASP A 22 1.875 14.622 6.253 1.00 0.00 C ATOM 221 O ASP A 22 2.991 15.134 6.308 1.00 0.00 O ATOM 222 CB ASP A 22 0.430 16.005 7.699 1.00 0.00 C ATOM 223 CG ASP A 22 -0.530 17.185 7.752 1.00 0.00 C ATOM 224 OD1 ASP A 22 -1.745 17.041 7.454 1.00 0.00 O ATOM 225 OD2 ASP A 22 -0.078 18.293 8.143 1.00 0.00 O ATOM 0 H ASP A 22 -0.850 15.441 4.899 1.00 0.00 H new ATOM 0 HA ASP A 22 0.847 16.276 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.046 15.204 8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.391 16.307 8.116 1.00 0.00 H new ATOM 230 N GLY A 23 1.757 13.288 6.121 1.00 0.00 N ATOM 231 CA GLY A 23 2.861 12.380 6.078 1.00 0.00 C ATOM 232 C GLY A 23 2.518 11.057 6.671 1.00 0.00 C ATOM 233 O GLY A 23 3.302 10.473 7.419 1.00 0.00 O ATOM 0 H GLY A 23 0.853 12.823 6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.178 12.243 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.706 12.810 6.616 1.00 0.00 H new ATOM 237 N SER A 24 1.328 10.529 6.337 1.00 0.00 N ATOM 238 CA SER A 24 0.819 9.270 6.783 1.00 0.00 C ATOM 239 C SER A 24 -0.445 9.114 6.009 1.00 0.00 C ATOM 240 O SER A 24 -1.284 10.008 5.910 1.00 0.00 O ATOM 241 CB SER A 24 0.591 9.046 8.287 1.00 0.00 C ATOM 242 OG SER A 24 -0.344 9.933 8.885 1.00 0.00 O ATOM 0 H SER A 24 0.680 11.013 5.715 1.00 0.00 H new ATOM 0 HA SER A 24 1.586 8.515 6.607 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.249 8.022 8.440 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.546 9.144 8.804 1.00 0.00 H new ATOM 0 HG SER A 24 -0.431 9.722 9.838 1.00 0.00 H new ATOM 248 N LEU A 25 -0.606 7.950 5.353 1.00 0.00 N ATOM 249 CA LEU A 25 -1.809 7.498 4.725 1.00 0.00 C ATOM 250 C LEU A 25 -2.666 6.979 5.829 1.00 0.00 C ATOM 251 O LEU A 25 -3.874 7.192 5.921 1.00 0.00 O ATOM 252 CB LEU A 25 -1.436 6.317 3.814 1.00 0.00 C ATOM 253 CG LEU A 25 -0.315 6.622 2.805 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.425 5.313 2.486 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.839 7.403 1.588 1.00 0.00 C ATOM 0 H LEU A 25 0.157 7.280 5.256 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.306 8.280 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.129 5.477 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.324 6.001 3.267 1.00 0.00 H new ATOM 0 HG LEU A 25 0.421 7.301 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.224 5.511 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.851 4.903 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.274 4.595 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.017 7.598 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.605 6.816 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.267 8.349 1.920 1.00 0.00 H new ATOM 267 N GLY A 26 -1.997 6.278 6.762 1.00 0.00 N ATOM 268 CA GLY A 26 -2.554 5.874 8.014 1.00 0.00 C ATOM 269 C GLY A 26 -2.587 4.388 8.112 1.00 0.00 C ATOM 270 O GLY A 26 -3.571 3.813 8.576 1.00 0.00 O ATOM 0 H GLY A 26 -1.029 5.981 6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.963 6.286 8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.563 6.274 8.117 1.00 0.00 H new ATOM 274 N ILE A 27 -1.478 3.760 7.682 1.00 0.00 N ATOM 275 CA ILE A 27 -1.220 2.378 7.940 1.00 0.00 C ATOM 276 C ILE A 27 0.049 2.234 8.709 1.00 0.00 C ATOM 277 O ILE A 27 1.055 2.878 8.421 1.00 0.00 O ATOM 278 CB ILE A 27 -1.225 1.573 6.675 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.188 2.079 5.659 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.668 1.642 6.149 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.161 1.290 4.350 1.00 0.00 C ATOM 0 H ILE A 27 -0.745 4.222 7.144 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.026 1.975 8.554 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.929 0.540 6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.395 3.126 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.801 2.040 6.115 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.745 1.073 5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.346 1.221 6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.937 2.681 5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.596 1.710 3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.077 0.247 4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.137 1.350 3.869 1.00 0.00 H new ATOM 293 N SER A 28 0.030 1.391 9.757 1.00 0.00 N ATOM 294 CA SER A 28 1.195 0.975 10.474 1.00 0.00 C ATOM 295 C SER A 28 1.693 -0.337 9.971 1.00 0.00 C ATOM 296 O SER A 28 1.006 -1.354 10.046 1.00 0.00 O ATOM 297 CB SER A 28 1.022 0.833 11.997 1.00 0.00 C ATOM 298 OG SER A 28 0.641 2.086 12.547 1.00 0.00 O ATOM 0 H SER A 28 -0.832 0.983 10.119 1.00 0.00 H new ATOM 0 HA SER A 28 1.901 1.786 10.295 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.266 0.080 12.220 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.953 0.493 12.450 1.00 0.00 H new ATOM 0 HG SER A 28 0.529 1.997 13.516 1.00 0.00 H new ATOM 304 N VAL A 29 2.921 -0.349 9.422 1.00 0.00 N ATOM 305 CA VAL A 29 3.426 -1.454 8.667 1.00 0.00 C ATOM 306 C VAL A 29 4.106 -2.527 9.444 1.00 0.00 C ATOM 307 O VAL A 29 4.835 -2.290 10.405 1.00 0.00 O ATOM 308 CB VAL A 29 4.288 -0.972 7.538 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.508 0.117 6.781 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.632 -0.422 8.044 1.00 0.00 C ATOM 0 H VAL A 29 3.578 0.427 9.505 1.00 0.00 H new ATOM 0 HA VAL A 29 2.534 -1.945 8.277 1.00 0.00 H new ATOM 0 HB VAL A 29 4.521 -1.807 6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.112 0.487 5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.579 -0.303 6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.280 0.939 7.459 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.228 -0.083 7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.452 0.414 8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.170 -1.207 8.575 1.00 0.00 H new ATOM 320 N THR A 30 3.898 -3.794 9.040 1.00 0.00 N ATOM 321 CA THR A 30 4.623 -4.944 9.483 1.00 0.00 C ATOM 322 C THR A 30 4.998 -5.778 8.306 1.00 0.00 C ATOM 323 O THR A 30 4.393 -5.691 7.239 1.00 0.00 O ATOM 324 CB THR A 30 3.906 -5.789 10.494 1.00 0.00 C ATOM 325 OG1 THR A 30 4.666 -6.914 10.909 1.00 0.00 O ATOM 326 CG2 THR A 30 2.557 -6.309 9.971 1.00 0.00 C ATOM 0 H THR A 30 3.176 -4.029 8.359 1.00 0.00 H new ATOM 0 HA THR A 30 5.506 -4.561 9.995 1.00 0.00 H new ATOM 0 HB THR A 30 3.746 -5.123 11.342 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.155 -7.429 11.568 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.078 -6.915 10.740 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.914 -5.465 9.721 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.721 -6.916 9.081 1.00 0.00 H new ATOM 334 N GLY A 31 6.016 -6.643 8.470 1.00 0.00 N ATOM 335 CA GLY A 31 6.433 -7.607 7.500 1.00 0.00 C ATOM 336 C GLY A 31 7.751 -7.319 6.866 1.00 0.00 C ATOM 337 O GLY A 31 8.699 -6.876 7.513 1.00 0.00 O ATOM 0 H GLY A 31 6.576 -6.671 9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.480 -8.586 7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.675 -7.669 6.719 1.00 0.00 H new ATOM 341 N GLY A 32 7.853 -7.601 5.554 1.00 0.00 N ATOM 342 CA GLY A 32 9.038 -7.422 4.773 1.00 0.00 C ATOM 343 C GLY A 32 10.112 -8.426 5.009 1.00 0.00 C ATOM 344 O GLY A 32 9.977 -9.362 5.796 1.00 0.00 O ATOM 0 H GLY A 32 7.072 -7.971 5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.765 -7.447 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.440 -6.429 4.975 1.00 0.00 H new ATOM 348 N VAL A 33 11.269 -8.221 4.353 1.00 0.00 N ATOM 349 CA VAL A 33 12.464 -9.002 4.426 1.00 0.00 C ATOM 350 C VAL A 33 13.077 -9.050 5.783 1.00 0.00 C ATOM 351 O VAL A 33 13.875 -9.927 6.113 1.00 0.00 O ATOM 352 CB VAL A 33 13.434 -8.505 3.395 1.00 0.00 C ATOM 353 CG1 VAL A 33 14.824 -9.159 3.460 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.835 -8.778 2.005 1.00 0.00 C ATOM 0 H VAL A 33 11.374 -7.434 3.712 1.00 0.00 H new ATOM 0 HA VAL A 33 12.192 -10.036 4.215 1.00 0.00 H new ATOM 0 HB VAL A 33 13.584 -7.444 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.460 -8.741 2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.272 -8.966 4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.727 -10.235 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.523 -8.425 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.673 -9.849 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.884 -8.254 1.909 1.00 0.00 H new ATOM 364 N ASN A 34 12.665 -8.135 6.678 1.00 0.00 N ATOM 365 CA ASN A 34 13.048 -8.078 8.056 1.00 0.00 C ATOM 366 C ASN A 34 12.632 -9.285 8.825 1.00 0.00 C ATOM 367 O ASN A 34 13.288 -9.654 9.798 1.00 0.00 O ATOM 368 CB ASN A 34 12.424 -6.809 8.658 1.00 0.00 C ATOM 369 CG ASN A 34 13.224 -6.202 9.802 1.00 0.00 C ATOM 370 OD1 ASN A 34 13.908 -5.198 9.607 1.00 0.00 O ATOM 371 ND2 ASN A 34 13.121 -6.775 11.031 1.00 0.00 N ATOM 0 H ASN A 34 12.022 -7.386 6.422 1.00 0.00 H new ATOM 0 HA ASN A 34 14.136 -8.051 8.119 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.314 -6.063 7.871 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.422 -7.045 9.016 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.619 -6.372 11.825 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.545 -7.607 11.159 1.00 0.00 H new ATOM 378 N THR A 35 11.532 -9.936 8.408 1.00 0.00 N ATOM 379 CA THR A 35 11.032 -11.165 8.944 1.00 0.00 C ATOM 380 C THR A 35 10.855 -12.112 7.807 1.00 0.00 C ATOM 381 O THR A 35 11.413 -11.923 6.727 1.00 0.00 O ATOM 382 CB THR A 35 9.800 -10.945 9.772 1.00 0.00 C ATOM 383 OG1 THR A 35 9.364 -12.096 10.479 1.00 0.00 O ATOM 384 CG2 THR A 35 8.612 -10.437 8.937 1.00 0.00 C ATOM 0 H THR A 35 10.954 -9.581 7.646 1.00 0.00 H new ATOM 0 HA THR A 35 11.739 -11.608 9.645 1.00 0.00 H new ATOM 0 HB THR A 35 10.112 -10.188 10.492 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.561 -11.878 10.996 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.747 -10.294 9.584 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.875 -9.488 8.469 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.371 -11.168 8.165 1.00 0.00 H new ATOM 392 N SER A 36 10.099 -13.213 7.964 1.00 0.00 N ATOM 393 CA SER A 36 9.770 -14.115 6.905 1.00 0.00 C ATOM 394 C SER A 36 8.337 -13.976 6.522 1.00 0.00 C ATOM 395 O SER A 36 7.424 -14.385 7.238 1.00 0.00 O ATOM 396 CB SER A 36 10.152 -15.580 7.176 1.00 0.00 C ATOM 397 OG SER A 36 9.488 -16.149 8.295 1.00 0.00 O ATOM 0 H SER A 36 9.702 -13.485 8.863 1.00 0.00 H new ATOM 0 HA SER A 36 10.390 -13.822 6.058 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.926 -16.174 6.291 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.229 -15.641 7.335 1.00 0.00 H new ATOM 0 HG SER A 36 8.587 -15.771 8.368 1.00 0.00 H new ATOM 403 N VAL A 37 8.080 -13.342 5.364 1.00 0.00 N ATOM 404 CA VAL A 37 6.766 -13.059 4.875 1.00 0.00 C ATOM 405 C VAL A 37 6.422 -13.964 3.742 1.00 0.00 C ATOM 406 O VAL A 37 6.579 -15.179 3.853 1.00 0.00 O ATOM 407 CB VAL A 37 6.612 -11.599 4.567 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.524 -10.810 5.884 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.767 -11.044 3.717 1.00 0.00 C ATOM 0 H VAL A 37 8.819 -13.013 4.742 1.00 0.00 H new ATOM 0 HA VAL A 37 6.034 -13.269 5.655 1.00 0.00 H new ATOM 0 HB VAL A 37 5.699 -11.485 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.412 -9.748 5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.664 -11.155 6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.434 -10.967 6.464 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.601 -9.984 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.708 -11.174 4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.812 -11.581 2.769 1.00 0.00 H new ATOM 419 N ARG A 38 5.934 -13.449 2.599 1.00 0.00 N ATOM 420 CA ARG A 38 5.809 -14.200 1.389 1.00 0.00 C ATOM 421 C ARG A 38 7.047 -14.016 0.581 1.00 0.00 C ATOM 422 O ARG A 38 7.823 -14.949 0.383 1.00 0.00 O ATOM 423 CB ARG A 38 4.557 -13.810 0.585 1.00 0.00 C ATOM 424 CG ARG A 38 4.476 -14.456 -0.799 1.00 0.00 C ATOM 425 CD ARG A 38 3.066 -14.577 -1.380 1.00 0.00 C ATOM 426 NE ARG A 38 2.367 -15.629 -0.591 1.00 0.00 N ATOM 427 CZ ARG A 38 2.608 -16.961 -0.766 1.00 0.00 C ATOM 428 NH1 ARG A 38 2.981 -17.469 -1.977 1.00 0.00 N ATOM 429 NH2 ARG A 38 2.434 -17.841 0.262 1.00 0.00 N ATOM 0 H ARG A 38 5.618 -12.483 2.514 1.00 0.00 H new ATOM 0 HA ARG A 38 5.687 -15.253 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.671 -14.088 1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.535 -12.726 0.470 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.088 -13.875 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.916 -15.452 -0.744 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.537 -13.627 -1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.104 -14.846 -2.436 1.00 0.00 H new ATOM 0 HE ARG A 38 1.681 -15.343 0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.086 -16.849 -2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.155 -18.469 -2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.121 -17.506 1.173 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.617 -18.834 0.120 1.00 0.00 H new ATOM 443 N HIS A 39 7.286 -12.790 0.081 1.00 0.00 N ATOM 444 CA HIS A 39 8.462 -12.502 -0.682 1.00 0.00 C ATOM 445 C HIS A 39 8.753 -11.043 -0.623 1.00 0.00 C ATOM 446 O HIS A 39 8.734 -10.336 -1.630 1.00 0.00 O ATOM 447 CB HIS A 39 8.293 -12.934 -2.148 1.00 0.00 C ATOM 448 CG HIS A 39 9.539 -12.867 -2.982 1.00 0.00 C ATOM 449 ND1 HIS A 39 9.423 -12.488 -4.304 1.00 0.00 N ATOM 450 CD2 HIS A 39 10.806 -13.281 -2.716 1.00 0.00 C ATOM 451 CE1 HIS A 39 10.621 -12.680 -4.824 1.00 0.00 C ATOM 452 NE2 HIS A 39 11.499 -13.159 -3.904 1.00 0.00 N ATOM 0 H HIS A 39 6.661 -11.994 0.206 1.00 0.00 H new ATOM 0 HA HIS A 39 9.292 -13.063 -0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.917 -13.957 -2.168 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.532 -12.305 -2.610 1.00 0.00 H new ATOM 0 HD2 HIS A 39 11.191 -13.633 -1.770 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.873 -12.481 -5.855 1.00 0.00 H new ATOM 0 HE2 HIS A 39 12.481 -13.385 -4.061 1.00 0.00 H new ATOM 460 N GLY A 40 9.031 -10.514 0.582 1.00 0.00 N ATOM 461 CA GLY A 40 9.447 -9.158 0.773 1.00 0.00 C ATOM 462 C GLY A 40 8.395 -8.102 0.746 1.00 0.00 C ATOM 463 O GLY A 40 8.734 -6.920 0.775 1.00 0.00 O ATOM 0 H GLY A 40 8.965 -11.045 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.960 -9.096 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.181 -8.920 0.003 1.00 0.00 H new ATOM 467 N GLY A 41 7.098 -8.453 0.714 1.00 0.00 N ATOM 468 CA GLY A 41 6.020 -7.515 0.742 1.00 0.00 C ATOM 469 C GLY A 41 5.589 -7.173 2.126 1.00 0.00 C ATOM 470 O GLY A 41 5.839 -7.924 3.067 1.00 0.00 O ATOM 0 H GLY A 41 6.789 -9.424 0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.323 -6.604 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.172 -7.926 0.193 1.00 0.00 H new ATOM 474 N ILE A 42 4.897 -6.030 2.285 1.00 0.00 N ATOM 475 CA ILE A 42 4.574 -5.448 3.550 1.00 0.00 C ATOM 476 C ILE A 42 3.118 -5.624 3.817 1.00 0.00 C ATOM 477 O ILE A 42 2.332 -5.960 2.933 1.00 0.00 O ATOM 478 CB ILE A 42 5.056 -4.031 3.636 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.351 -3.527 5.059 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.115 -2.997 2.995 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.614 -4.137 5.664 1.00 0.00 C ATOM 0 H ILE A 42 4.547 -5.488 1.495 1.00 0.00 H new ATOM 0 HA ILE A 42 5.103 -5.966 4.350 1.00 0.00 H new ATOM 0 HB ILE A 42 5.985 -4.100 3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.453 -2.442 5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.501 -3.756 5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.542 -2.000 3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.990 -3.225 1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.145 -3.032 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.765 -3.740 6.668 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.506 -5.221 5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.473 -3.886 5.042 1.00 0.00 H new ATOM 493 N TYR A 43 2.681 -5.476 5.081 1.00 0.00 N ATOM 494 CA TYR A 43 1.336 -5.739 5.489 1.00 0.00 C ATOM 495 C TYR A 43 0.933 -4.669 6.445 1.00 0.00 C ATOM 496 O TYR A 43 1.778 -3.966 6.997 1.00 0.00 O ATOM 497 CB TYR A 43 1.213 -7.066 6.255 1.00 0.00 C ATOM 498 CG TYR A 43 1.657 -8.246 5.462 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.995 -8.520 5.303 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.726 -9.092 4.905 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.397 -9.596 4.546 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.124 -10.197 4.189 1.00 0.00 C ATOM 503 CZ TYR A 43 2.463 -10.445 4.001 1.00 0.00 C ATOM 504 OH TYR A 43 2.904 -11.588 3.301 1.00 0.00 O ATOM 0 H TYR A 43 3.283 -5.163 5.843 1.00 0.00 H new ATOM 0 HA TYR A 43 0.717 -5.779 4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.805 -7.007 7.168 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.175 -7.209 6.557 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.733 -7.888 5.774 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.327 -8.887 5.031 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.449 -9.774 4.379 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.386 -10.868 3.775 1.00 0.00 H new ATOM 0 HH TYR A 43 2.129 -12.091 2.975 1.00 0.00 H new ATOM 514 N VAL A 44 -0.377 -4.482 6.688 1.00 0.00 N ATOM 515 CA VAL A 44 -0.865 -3.534 7.640 1.00 0.00 C ATOM 516 C VAL A 44 -1.158 -4.179 8.951 1.00 0.00 C ATOM 517 O VAL A 44 -1.939 -5.127 9.021 1.00 0.00 O ATOM 518 CB VAL A 44 -2.136 -2.885 7.176 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.390 -1.659 8.069 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.033 -2.479 5.697 1.00 0.00 C ATOM 0 H VAL A 44 -1.114 -5.002 6.211 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.077 -2.789 7.747 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.968 -3.584 7.256 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.310 -1.165 7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.485 -1.978 9.107 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.555 -0.964 7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.966 -2.011 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.212 -1.774 5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.848 -3.364 5.089 1.00 0.00 H new ATOM 530 N LYS A 45 -0.582 -3.689 10.063 1.00 0.00 N ATOM 531 CA LYS A 45 -0.879 -4.172 11.376 1.00 0.00 C ATOM 532 C LYS A 45 -1.967 -3.392 12.032 1.00 0.00 C ATOM 533 O LYS A 45 -2.761 -3.925 12.804 1.00 0.00 O ATOM 534 CB LYS A 45 0.380 -4.122 12.259 1.00 0.00 C ATOM 535 CG LYS A 45 0.305 -4.865 13.595 1.00 0.00 C ATOM 536 CD LYS A 45 0.171 -6.384 13.466 1.00 0.00 C ATOM 537 CE LYS A 45 -1.212 -6.925 13.833 1.00 0.00 C ATOM 538 NZ LYS A 45 -1.321 -8.372 13.540 1.00 0.00 N ATOM 0 H LYS A 45 0.108 -2.938 10.049 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.220 -5.201 11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.214 -4.530 11.688 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.613 -3.077 12.462 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.201 -4.639 14.173 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.545 -4.484 14.162 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.401 -6.672 12.440 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.916 -6.859 14.105 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.403 -6.751 14.892 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.976 -6.381 13.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.270 -8.708 13.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.162 -8.534 12.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.607 -8.892 14.089 1.00 0.00 H new ATOM 552 N ALA A 46 -2.050 -2.078 11.754 1.00 0.00 N ATOM 553 CA ALA A 46 -3.084 -1.241 12.277 1.00 0.00 C ATOM 554 C ALA A 46 -3.458 -0.181 11.299 1.00 0.00 C ATOM 555 O ALA A 46 -2.606 0.444 10.669 1.00 0.00 O ATOM 556 CB ALA A 46 -2.665 -0.591 13.607 1.00 0.00 C ATOM 0 H ALA A 46 -1.386 -1.588 11.154 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.949 -1.878 12.460 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.475 0.038 13.976 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.448 -1.368 14.339 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.775 0.018 13.450 1.00 0.00 H new ATOM 562 N ILE A 47 -4.773 0.064 11.161 1.00 0.00 N ATOM 563 CA ILE A 47 -5.369 1.106 10.383 1.00 0.00 C ATOM 564 C ILE A 47 -5.652 2.243 11.303 1.00 0.00 C ATOM 565 O ILE A 47 -6.055 2.049 12.450 1.00 0.00 O ATOM 566 CB ILE A 47 -6.642 0.627 9.749 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.420 -0.604 8.854 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.367 1.726 8.954 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.529 -0.315 7.647 1.00 0.00 C ATOM 0 H ILE A 47 -5.473 -0.511 11.630 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.696 1.414 9.583 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.284 0.340 10.582 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.971 -1.401 9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.385 -0.971 8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.280 1.319 8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.619 2.551 9.620 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.717 2.088 8.158 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.411 -1.223 7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.988 0.460 7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.551 0.024 7.989 1.00 0.00 H new ATOM 581 N ILE A 48 -5.435 3.495 10.863 1.00 0.00 N ATOM 582 CA ILE A 48 -5.881 4.651 11.576 1.00 0.00 C ATOM 583 C ILE A 48 -7.312 4.914 11.253 1.00 0.00 C ATOM 584 O ILE A 48 -7.614 4.955 10.062 1.00 0.00 O ATOM 585 CB ILE A 48 -5.086 5.862 11.187 1.00 0.00 C ATOM 586 CG1 ILE A 48 -3.606 5.631 11.533 1.00 0.00 C ATOM 587 CG2 ILE A 48 -5.612 7.128 11.883 1.00 0.00 C ATOM 588 CD1 ILE A 48 -2.738 6.824 11.136 1.00 0.00 C ATOM 0 H ILE A 48 -4.941 3.708 9.997 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.752 4.460 12.641 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.190 6.016 10.113 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.507 5.449 12.603 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.249 4.736 11.023 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.013 7.986 11.578 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.652 7.293 11.601 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.545 7.004 12.964 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.699 6.621 11.397 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.816 6.989 10.061 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.078 7.714 11.666 1.00 0.00 H new ATOM 600 N PRO A 49 -8.208 5.148 12.166 1.00 0.00 N ATOM 601 CA PRO A 49 -9.524 5.632 11.866 1.00 0.00 C ATOM 602 C PRO A 49 -9.542 6.946 11.163 1.00 0.00 C ATOM 603 O PRO A 49 -9.347 7.988 11.787 1.00 0.00 O ATOM 604 CB PRO A 49 -10.233 5.696 13.217 1.00 0.00 C ATOM 605 CG PRO A 49 -9.562 4.568 14.015 1.00 0.00 C ATOM 606 CD PRO A 49 -8.105 4.674 13.537 1.00 0.00 C ATOM 0 HA PRO A 49 -10.024 4.968 11.161 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.099 6.665 13.698 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.307 5.536 13.117 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.652 4.718 15.091 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.997 3.594 13.791 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.533 5.366 14.155 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.599 3.710 13.587 1.00 0.00 H new ATOM 614 N LYS A 50 -9.754 6.920 9.836 1.00 0.00 N ATOM 615 CA LYS A 50 -9.998 8.056 9.001 1.00 0.00 C ATOM 616 C LYS A 50 -8.828 8.962 8.826 1.00 0.00 C ATOM 617 O LYS A 50 -8.936 10.181 8.957 1.00 0.00 O ATOM 618 CB LYS A 50 -11.247 8.861 9.398 1.00 0.00 C ATOM 619 CG LYS A 50 -12.527 8.036 9.551 1.00 0.00 C ATOM 620 CD LYS A 50 -13.214 7.644 8.241 1.00 0.00 C ATOM 621 CE LYS A 50 -14.303 8.627 7.809 1.00 0.00 C ATOM 622 NZ LYS A 50 -15.141 8.028 6.747 1.00 0.00 N ATOM 0 H LYS A 50 -9.755 6.046 9.311 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.191 7.603 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.047 9.372 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.417 9.632 8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.290 7.127 10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.234 8.602 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.464 7.574 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.653 6.653 8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.923 8.893 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.848 9.549 7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.877 8.705 6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.547 7.796 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.589 7.161 7.106 1.00 0.00 H new ATOM 636 N GLY A 51 -7.650 8.420 8.469 1.00 0.00 N ATOM 637 CA GLY A 51 -6.599 9.221 7.922 1.00 0.00 C ATOM 638 C GLY A 51 -6.845 9.413 6.465 1.00 0.00 C ATOM 639 O GLY A 51 -7.640 10.256 6.051 1.00 0.00 O ATOM 0 H GLY A 51 -7.425 7.429 8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.559 10.186 8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.635 8.737 8.081 1.00 0.00 H new ATOM 643 N ALA A 52 -6.177 8.603 5.624 1.00 0.00 N ATOM 644 CA ALA A 52 -6.406 8.526 4.214 1.00 0.00 C ATOM 645 C ALA A 52 -6.671 7.122 3.793 1.00 0.00 C ATOM 646 O ALA A 52 -7.523 6.854 2.946 1.00 0.00 O ATOM 647 CB ALA A 52 -5.175 9.076 3.474 1.00 0.00 C ATOM 0 H ALA A 52 -5.442 7.972 5.943 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.284 9.122 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.342 9.020 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.011 10.114 3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.298 8.484 3.736 1.00 0.00 H new ATOM 653 N ALA A 53 -5.962 6.139 4.376 1.00 0.00 N ATOM 654 CA ALA A 53 -6.025 4.757 4.017 1.00 0.00 C ATOM 655 C ALA A 53 -7.290 4.070 4.402 1.00 0.00 C ATOM 656 O ALA A 53 -7.894 3.388 3.577 1.00 0.00 O ATOM 657 CB ALA A 53 -4.804 4.030 4.607 1.00 0.00 C ATOM 0 H ALA A 53 -5.310 6.319 5.139 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.011 4.716 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.844 2.974 4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.890 4.472 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.812 4.128 5.693 1.00 0.00 H new ATOM 663 N GLU A 54 -7.817 4.277 5.622 1.00 0.00 N ATOM 664 CA GLU A 54 -9.142 3.863 5.962 1.00 0.00 C ATOM 665 C GLU A 54 -10.153 4.489 5.064 1.00 0.00 C ATOM 666 O GLU A 54 -11.172 3.907 4.696 1.00 0.00 O ATOM 667 CB GLU A 54 -9.552 4.193 7.408 1.00 0.00 C ATOM 668 CG GLU A 54 -10.945 3.653 7.738 1.00 0.00 C ATOM 669 CD GLU A 54 -11.419 3.722 9.184 1.00 0.00 C ATOM 670 OE1 GLU A 54 -10.894 2.940 10.021 1.00 0.00 O ATOM 671 OE2 GLU A 54 -12.387 4.482 9.455 1.00 0.00 O ATOM 0 H GLU A 54 -7.317 4.738 6.382 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.121 2.779 5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.824 3.768 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.537 5.273 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.666 4.194 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.980 2.609 7.425 1.00 0.00 H new ATOM 678 N SER A 55 -9.851 5.726 4.632 1.00 0.00 N ATOM 679 CA SER A 55 -10.662 6.474 3.721 1.00 0.00 C ATOM 680 C SER A 55 -10.634 6.034 2.298 1.00 0.00 C ATOM 681 O SER A 55 -11.265 6.659 1.448 1.00 0.00 O ATOM 682 CB SER A 55 -10.347 7.977 3.803 1.00 0.00 C ATOM 683 OG SER A 55 -11.457 8.793 3.458 1.00 0.00 O ATOM 0 H SER A 55 -9.011 6.224 4.928 1.00 0.00 H new ATOM 0 HA SER A 55 -11.677 6.270 4.062 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.024 8.221 4.815 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.514 8.205 3.138 1.00 0.00 H new ATOM 0 HG SER A 55 -11.877 8.446 2.644 1.00 0.00 H new ATOM 689 N ASP A 56 -9.971 4.921 1.934 1.00 0.00 N ATOM 690 CA ASP A 56 -10.370 4.146 0.801 1.00 0.00 C ATOM 691 C ASP A 56 -11.650 3.467 1.144 1.00 0.00 C ATOM 692 O ASP A 56 -12.745 3.971 0.894 1.00 0.00 O ATOM 693 CB ASP A 56 -9.285 3.143 0.373 1.00 0.00 C ATOM 694 CG ASP A 56 -9.804 2.239 -0.736 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.306 2.779 -1.759 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.850 0.998 -0.526 1.00 0.00 O ATOM 0 H ASP A 56 -9.156 4.557 2.427 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.514 4.800 -0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.401 3.679 0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.980 2.541 1.229 1.00 0.00 H new ATOM 701 N GLY A 57 -11.564 2.262 1.735 1.00 0.00 N ATOM 702 CA GLY A 57 -12.717 1.517 2.139 1.00 0.00 C ATOM 703 C GLY A 57 -12.462 0.051 2.200 1.00 0.00 C ATOM 704 O GLY A 57 -12.905 -0.639 3.117 1.00 0.00 O ATOM 0 H GLY A 57 -10.679 1.796 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.045 1.866 3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.532 1.711 1.442 1.00 0.00 H new ATOM 708 N ARG A 58 -11.742 -0.497 1.204 1.00 0.00 N ATOM 709 CA ARG A 58 -11.530 -1.904 1.076 1.00 0.00 C ATOM 710 C ARG A 58 -10.467 -2.458 1.962 1.00 0.00 C ATOM 711 O ARG A 58 -10.410 -3.665 2.193 1.00 0.00 O ATOM 712 CB ARG A 58 -11.191 -2.191 -0.396 1.00 0.00 C ATOM 713 CG ARG A 58 -12.338 -1.949 -1.380 1.00 0.00 C ATOM 714 CD ARG A 58 -12.027 -0.811 -2.352 1.00 0.00 C ATOM 715 NE ARG A 58 -12.989 -0.927 -3.484 1.00 0.00 N ATOM 716 CZ ARG A 58 -14.253 -0.411 -3.498 1.00 0.00 C ATOM 717 NH1 ARG A 58 -14.688 0.505 -2.584 1.00 0.00 N ATOM 718 NH2 ARG A 58 -15.120 -0.790 -4.482 1.00 0.00 N ATOM 0 H ARG A 58 -11.296 0.053 0.470 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.446 -2.402 1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.345 -1.569 -0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.869 -3.229 -0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.533 -2.863 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.247 -1.715 -0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.128 0.156 -1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.000 -0.880 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.679 -1.432 -4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.059 0.832 -1.851 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.642 0.862 -2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.821 -1.453 -5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.067 -0.411 -4.502 1.00 0.00 H new ATOM 732 N ILE A 59 -9.571 -1.617 2.510 1.00 0.00 N ATOM 733 CA ILE A 59 -8.493 -1.984 3.376 1.00 0.00 C ATOM 734 C ILE A 59 -8.962 -2.369 4.737 1.00 0.00 C ATOM 735 O ILE A 59 -9.915 -1.805 5.272 1.00 0.00 O ATOM 736 CB ILE A 59 -7.501 -0.865 3.483 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.213 -0.219 2.117 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.194 -1.399 4.094 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.174 0.900 2.151 1.00 0.00 C ATOM 0 H ILE A 59 -9.603 -0.613 2.336 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.016 -2.857 2.931 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.930 -0.096 4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.873 -0.992 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.144 0.179 1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.471 -0.587 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.395 -1.804 5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.789 -2.185 3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.034 1.297 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.518 1.696 2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.227 0.506 2.521 1.00 0.00 H new ATOM 751 N HIS A 60 -8.315 -3.363 5.373 1.00 0.00 N ATOM 752 CA HIS A 60 -8.382 -3.539 6.791 1.00 0.00 C ATOM 753 C HIS A 60 -7.050 -3.974 7.296 1.00 0.00 C ATOM 754 O HIS A 60 -6.086 -4.103 6.543 1.00 0.00 O ATOM 755 CB HIS A 60 -9.488 -4.504 7.249 1.00 0.00 C ATOM 756 CG HIS A 60 -10.308 -3.943 8.373 1.00 0.00 C ATOM 757 ND1 HIS A 60 -9.740 -3.742 9.615 1.00 0.00 N ATOM 758 CD2 HIS A 60 -11.574 -3.446 8.341 1.00 0.00 C ATOM 759 CE1 HIS A 60 -10.664 -3.113 10.316 1.00 0.00 C ATOM 760 NE2 HIS A 60 -11.801 -2.918 9.595 1.00 0.00 N ATOM 0 H HIS A 60 -7.737 -4.055 4.896 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.651 -2.574 7.220 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.140 -4.731 6.406 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.037 -5.444 7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -12.259 -3.462 7.507 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.533 -2.792 11.339 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.657 -2.468 9.919 1.00 0.00 H new ATOM 768 N LYS A 61 -6.915 -4.216 8.612 1.00 0.00 N ATOM 769 CA LYS A 61 -5.691 -4.682 9.186 1.00 0.00 C ATOM 770 C LYS A 61 -5.515 -6.149 9.001 1.00 0.00 C ATOM 771 O LYS A 61 -6.441 -6.943 9.161 1.00 0.00 O ATOM 772 CB LYS A 61 -5.536 -4.268 10.659 1.00 0.00 C ATOM 773 CG LYS A 61 -6.640 -4.735 11.610 1.00 0.00 C ATOM 774 CD LYS A 61 -6.448 -4.148 13.010 1.00 0.00 C ATOM 775 CE LYS A 61 -7.447 -4.635 14.062 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.838 -4.283 13.699 1.00 0.00 N ATOM 0 H LYS A 61 -7.667 -4.086 9.288 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.886 -4.189 8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.583 -4.652 11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.481 -3.180 10.706 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.612 -4.436 11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.639 -5.824 11.666 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.440 -4.385 13.351 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.515 -3.062 12.944 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.362 -5.716 14.172 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.201 -4.196 15.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.487 -4.629 14.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.925 -3.250 13.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.081 -4.723 12.788 1.00 0.00 H new ATOM 790 N GLY A 62 -4.301 -6.572 8.604 1.00 0.00 N ATOM 791 CA GLY A 62 -4.002 -7.907 8.187 1.00 0.00 C ATOM 792 C GLY A 62 -3.648 -7.993 6.743 1.00 0.00 C ATOM 793 O GLY A 62 -2.998 -8.950 6.324 1.00 0.00 O ATOM 0 H GLY A 62 -3.490 -5.954 8.572 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.175 -8.293 8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.863 -8.546 8.385 1.00 0.00 H new ATOM 797 N ASP A 63 -4.062 -6.997 5.939 1.00 0.00 N ATOM 798 CA ASP A 63 -3.941 -6.983 4.514 1.00 0.00 C ATOM 799 C ASP A 63 -2.546 -6.800 4.020 1.00 0.00 C ATOM 800 O ASP A 63 -1.670 -6.306 4.727 1.00 0.00 O ATOM 801 CB ASP A 63 -4.801 -5.856 3.919 1.00 0.00 C ATOM 802 CG ASP A 63 -6.274 -6.226 3.831 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.639 -7.422 3.987 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.095 -5.322 3.519 1.00 0.00 O ATOM 0 H ASP A 63 -4.506 -6.155 6.305 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.280 -7.967 4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.692 -4.960 4.530 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.432 -5.610 2.923 1.00 0.00 H new ATOM 809 N ARG A 64 -2.306 -7.193 2.757 1.00 0.00 N ATOM 810 CA ARG A 64 -1.023 -7.145 2.127 1.00 0.00 C ATOM 811 C ARG A 64 -0.921 -5.970 1.217 1.00 0.00 C ATOM 812 O ARG A 64 -1.820 -5.650 0.439 1.00 0.00 O ATOM 813 CB ARG A 64 -0.761 -8.468 1.389 1.00 0.00 C ATOM 814 CG ARG A 64 0.551 -8.558 0.608 1.00 0.00 C ATOM 815 CD ARG A 64 0.883 -9.990 0.185 1.00 0.00 C ATOM 816 NE ARG A 64 1.968 -9.931 -0.835 1.00 0.00 N ATOM 817 CZ ARG A 64 1.769 -10.114 -2.173 1.00 0.00 C ATOM 818 NH1 ARG A 64 0.556 -10.445 -2.705 1.00 0.00 N ATOM 819 NH2 ARG A 64 2.830 -9.982 -3.022 1.00 0.00 N ATOM 0 H ARG A 64 -3.037 -7.560 2.148 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.253 -7.022 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.781 -9.277 2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.584 -8.643 0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.487 -7.926 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.363 -8.166 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.202 -10.577 1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.000 -10.480 -0.226 1.00 0.00 H new ATOM 0 HE ARG A 64 2.917 -9.742 -0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.252 -10.566 -2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.458 -10.571 -3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.752 -9.750 -2.653 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.700 -10.115 -4.025 1.00 0.00 H new ATOM 833 N VAL A 65 0.217 -5.259 1.303 1.00 0.00 N ATOM 834 CA VAL A 65 0.602 -4.115 0.536 1.00 0.00 C ATOM 835 C VAL A 65 1.748 -4.575 -0.296 1.00 0.00 C ATOM 836 O VAL A 65 2.815 -4.910 0.218 1.00 0.00 O ATOM 837 CB VAL A 65 1.000 -3.010 1.469 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.819 -1.894 0.797 1.00 0.00 C ATOM 839 CG2 VAL A 65 -0.254 -2.427 2.141 1.00 0.00 C ATOM 0 H VAL A 65 0.938 -5.513 1.978 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.200 -3.725 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 65 1.659 -3.452 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.069 -1.132 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.736 -2.314 0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.233 -1.445 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.036 -1.624 2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.926 -2.033 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.763 -3.210 2.703 1.00 0.00 H new ATOM 849 N LEU A 66 1.573 -4.671 -1.626 1.00 0.00 N ATOM 850 CA LEU A 66 2.579 -5.196 -2.497 1.00 0.00 C ATOM 851 C LEU A 66 3.321 -4.148 -3.253 1.00 0.00 C ATOM 852 O LEU A 66 4.514 -4.316 -3.503 1.00 0.00 O ATOM 853 CB LEU A 66 2.066 -6.326 -3.406 1.00 0.00 C ATOM 854 CG LEU A 66 0.834 -6.063 -4.288 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.904 -6.919 -5.563 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.470 -6.389 -3.542 1.00 0.00 C ATOM 0 H LEU A 66 0.720 -4.380 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 66 3.312 -5.653 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.885 -6.620 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.842 -7.184 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 66 0.836 -5.004 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.027 -6.725 -6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.805 -6.666 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.930 -7.974 -5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.321 -6.192 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.470 -7.440 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.544 -5.767 -2.650 1.00 0.00 H new ATOM 868 N ALA A 67 2.685 -3.028 -3.640 1.00 0.00 N ATOM 869 CA ALA A 67 3.398 -2.034 -4.380 1.00 0.00 C ATOM 870 C ALA A 67 2.828 -0.665 -4.232 1.00 0.00 C ATOM 871 O ALA A 67 1.652 -0.498 -3.906 1.00 0.00 O ATOM 872 CB ALA A 67 3.398 -2.408 -5.872 1.00 0.00 C ATOM 0 H ALA A 67 1.706 -2.814 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 67 4.410 -2.011 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.941 -1.651 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.881 -3.376 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.371 -2.463 -6.233 1.00 0.00 H new ATOM 878 N VAL A 68 3.632 0.382 -4.488 1.00 0.00 N ATOM 879 CA VAL A 68 3.185 1.741 -4.485 1.00 0.00 C ATOM 880 C VAL A 68 3.614 2.437 -5.731 1.00 0.00 C ATOM 881 O VAL A 68 4.781 2.358 -6.111 1.00 0.00 O ATOM 882 CB VAL A 68 3.704 2.505 -3.303 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.411 4.012 -3.384 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.059 1.938 -2.026 1.00 0.00 C ATOM 0 H VAL A 68 4.624 0.280 -4.704 1.00 0.00 H new ATOM 0 HA VAL A 68 2.097 1.711 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 68 4.788 2.389 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.811 4.509 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.880 4.426 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.334 4.171 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.428 2.485 -1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.976 2.043 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.316 0.883 -1.926 1.00 0.00 H new ATOM 894 N ASN A 69 2.697 3.115 -6.442 1.00 0.00 N ATOM 895 CA ASN A 69 2.851 3.713 -7.733 1.00 0.00 C ATOM 896 C ASN A 69 3.653 2.940 -8.721 1.00 0.00 C ATOM 897 O ASN A 69 4.499 3.467 -9.441 1.00 0.00 O ATOM 898 CB ASN A 69 3.132 5.225 -7.700 1.00 0.00 C ATOM 899 CG ASN A 69 4.256 5.653 -6.767 1.00 0.00 C ATOM 900 OD1 ASN A 69 4.061 6.447 -5.847 1.00 0.00 O ATOM 901 ND2 ASN A 69 5.493 5.142 -7.005 1.00 0.00 N ATOM 0 H ASN A 69 1.756 3.258 -6.076 1.00 0.00 H new ATOM 0 HA ASN A 69 1.850 3.638 -8.157 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.373 5.556 -8.710 1.00 0.00 H new ATOM 0 HB3 ASN A 69 2.219 5.742 -7.405 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.280 5.415 -6.416 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.634 4.485 -7.772 1.00 0.00 H new ATOM 908 N GLY A 70 3.401 1.619 -8.758 1.00 0.00 N ATOM 909 CA GLY A 70 4.026 0.680 -9.636 1.00 0.00 C ATOM 910 C GLY A 70 5.364 0.204 -9.186 1.00 0.00 C ATOM 911 O GLY A 70 6.099 -0.426 -9.944 1.00 0.00 O ATOM 0 H GLY A 70 2.720 1.182 -8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.369 -0.182 -9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.130 1.137 -10.620 1.00 0.00 H new ATOM 915 N VAL A 71 5.729 0.488 -7.923 1.00 0.00 N ATOM 916 CA VAL A 71 6.986 0.132 -7.341 1.00 0.00 C ATOM 917 C VAL A 71 6.700 -0.941 -6.349 1.00 0.00 C ATOM 918 O VAL A 71 6.297 -0.701 -5.211 1.00 0.00 O ATOM 919 CB VAL A 71 7.730 1.246 -6.668 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.112 0.751 -6.208 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.906 2.405 -7.665 1.00 0.00 C ATOM 0 H VAL A 71 5.119 0.989 -7.277 1.00 0.00 H new ATOM 0 HA VAL A 71 7.644 -0.179 -8.152 1.00 0.00 H new ATOM 0 HB VAL A 71 7.167 1.586 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.647 1.566 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.988 -0.073 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.682 0.409 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.446 3.220 -7.184 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.469 2.058 -8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.927 2.759 -7.987 1.00 0.00 H new ATOM 931 N SER A 72 6.865 -2.203 -6.785 1.00 0.00 N ATOM 932 CA SER A 72 6.757 -3.354 -5.942 1.00 0.00 C ATOM 933 C SER A 72 7.893 -3.495 -4.989 1.00 0.00 C ATOM 934 O SER A 72 9.001 -2.996 -5.180 1.00 0.00 O ATOM 935 CB SER A 72 6.536 -4.659 -6.724 1.00 0.00 C ATOM 936 OG SER A 72 7.582 -4.907 -7.653 1.00 0.00 O ATOM 0 H SER A 72 7.081 -2.430 -7.756 1.00 0.00 H new ATOM 0 HA SER A 72 5.860 -3.174 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.466 -5.493 -6.025 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.585 -4.607 -7.254 1.00 0.00 H new ATOM 0 HG SER A 72 7.405 -5.746 -8.128 1.00 0.00 H new ATOM 942 N LEU A 73 7.615 -4.169 -3.859 1.00 0.00 N ATOM 943 CA LEU A 73 8.524 -4.315 -2.764 1.00 0.00 C ATOM 944 C LEU A 73 9.527 -5.390 -3.003 1.00 0.00 C ATOM 945 O LEU A 73 9.476 -6.479 -2.433 1.00 0.00 O ATOM 946 CB LEU A 73 7.706 -4.585 -1.490 1.00 0.00 C ATOM 947 CG LEU A 73 6.891 -3.366 -1.024 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.849 -3.771 0.032 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.759 -2.249 -0.421 1.00 0.00 C ATOM 0 H LEU A 73 6.720 -4.632 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 73 9.096 -3.394 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.028 -5.419 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.381 -4.890 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 73 6.408 -2.984 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.287 -2.891 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.166 -4.506 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.355 -4.204 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.122 -1.420 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.298 -2.634 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.473 -1.900 -1.167 1.00 0.00 H new ATOM 961 N GLU A 74 10.509 -5.115 -3.880 1.00 0.00 N ATOM 962 CA GLU A 74 11.595 -5.999 -4.170 1.00 0.00 C ATOM 963 C GLU A 74 12.679 -5.824 -3.163 1.00 0.00 C ATOM 964 O GLU A 74 13.347 -4.795 -3.069 1.00 0.00 O ATOM 965 CB GLU A 74 12.019 -5.940 -5.647 1.00 0.00 C ATOM 966 CG GLU A 74 12.739 -4.684 -6.143 1.00 0.00 C ATOM 967 CD GLU A 74 14.256 -4.710 -6.027 1.00 0.00 C ATOM 968 OE1 GLU A 74 14.873 -5.791 -5.832 1.00 0.00 O ATOM 969 OE2 GLU A 74 14.850 -3.606 -6.165 1.00 0.00 O ATOM 0 H GLU A 74 10.548 -4.243 -4.408 1.00 0.00 H new ATOM 0 HA GLU A 74 11.269 -7.033 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.667 -6.794 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.125 -6.073 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.475 -4.524 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.364 -3.827 -5.584 1.00 0.00 H new ATOM 976 N GLY A 75 12.836 -6.820 -2.272 1.00 0.00 N ATOM 977 CA GLY A 75 13.790 -6.808 -1.208 1.00 0.00 C ATOM 978 C GLY A 75 13.462 -5.951 -0.035 1.00 0.00 C ATOM 979 O GLY A 75 14.314 -5.725 0.823 1.00 0.00 O ATOM 0 H GLY A 75 12.273 -7.670 -2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.923 -7.831 -0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.748 -6.482 -1.612 1.00 0.00 H new ATOM 983 N ALA A 76 12.226 -5.431 0.072 1.00 0.00 N ATOM 984 CA ALA A 76 11.898 -4.426 1.037 1.00 0.00 C ATOM 985 C ALA A 76 11.631 -4.938 2.410 1.00 0.00 C ATOM 986 O ALA A 76 11.036 -5.990 2.638 1.00 0.00 O ATOM 987 CB ALA A 76 10.747 -3.537 0.537 1.00 0.00 C ATOM 0 H ALA A 76 11.443 -5.711 -0.519 1.00 0.00 H new ATOM 0 HA ALA A 76 12.800 -3.822 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.518 -2.782 1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.042 -3.047 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.864 -4.151 0.358 1.00 0.00 H new ATOM 993 N THR A 77 12.085 -4.187 3.430 1.00 0.00 N ATOM 994 CA THR A 77 12.033 -4.504 4.824 1.00 0.00 C ATOM 995 C THR A 77 10.880 -3.800 5.450 1.00 0.00 C ATOM 996 O THR A 77 9.948 -3.398 4.755 1.00 0.00 O ATOM 997 CB THR A 77 13.299 -4.068 5.503 1.00 0.00 C ATOM 998 OG1 THR A 77 13.536 -2.679 5.326 1.00 0.00 O ATOM 999 CG2 THR A 77 14.502 -4.775 4.856 1.00 0.00 C ATOM 0 H THR A 77 12.525 -3.282 3.263 1.00 0.00 H new ATOM 0 HA THR A 77 11.918 -5.582 4.935 1.00 0.00 H new ATOM 0 HB THR A 77 13.187 -4.310 6.560 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.367 -2.428 5.782 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.420 -4.457 5.350 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.389 -5.854 4.960 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.551 -4.516 3.798 1.00 0.00 H new ATOM 1007 N HIS A 78 10.890 -3.556 6.773 1.00 0.00 N ATOM 1008 CA HIS A 78 10.008 -2.624 7.405 1.00 0.00 C ATOM 1009 C HIS A 78 10.354 -1.228 7.014 1.00 0.00 C ATOM 1010 O HIS A 78 9.492 -0.480 6.557 1.00 0.00 O ATOM 1011 CB HIS A 78 10.048 -2.770 8.935 1.00 0.00 C ATOM 1012 CG HIS A 78 9.678 -1.618 9.822 1.00 0.00 C ATOM 1013 ND1 HIS A 78 9.986 -1.683 11.155 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.118 -0.395 9.618 1.00 0.00 C ATOM 1015 CE1 HIS A 78 9.653 -0.547 11.739 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.115 0.245 10.830 1.00 0.00 N ATOM 0 H HIS A 78 11.528 -4.019 7.420 1.00 0.00 H new ATOM 0 HA HIS A 78 8.995 -2.844 7.068 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.391 -3.600 9.196 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.061 -3.069 9.203 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.407 -2.485 11.624 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.747 -0.004 8.682 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.796 -0.307 12.782 1.00 0.00 H new ATOM 1025 N LYS A 79 11.620 -0.807 7.183 1.00 0.00 N ATOM 1026 CA LYS A 79 12.039 0.529 6.893 1.00 0.00 C ATOM 1027 C LYS A 79 12.052 0.852 5.439 1.00 0.00 C ATOM 1028 O LYS A 79 11.626 1.931 5.030 1.00 0.00 O ATOM 1029 CB LYS A 79 13.388 0.838 7.564 1.00 0.00 C ATOM 1030 CG LYS A 79 13.722 2.330 7.596 1.00 0.00 C ATOM 1031 CD LYS A 79 14.801 2.697 8.618 1.00 0.00 C ATOM 1032 CE LYS A 79 14.312 2.615 10.064 1.00 0.00 C ATOM 1033 NZ LYS A 79 15.397 2.955 11.012 1.00 0.00 N ATOM 0 H LYS A 79 12.369 -1.408 7.529 1.00 0.00 H new ATOM 0 HA LYS A 79 11.284 1.187 7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.374 0.454 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.179 0.307 7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.052 2.641 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.815 2.892 7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.654 2.031 8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.154 3.709 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.473 3.296 10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.945 1.610 10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.039 2.892 11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.187 2.289 10.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.729 3.923 10.827 1.00 0.00 H new ATOM 1047 N GLN A 80 12.463 -0.083 4.564 1.00 0.00 N ATOM 1048 CA GLN A 80 12.336 0.082 3.149 1.00 0.00 C ATOM 1049 C GLN A 80 10.925 0.131 2.674 1.00 0.00 C ATOM 1050 O GLN A 80 10.600 0.920 1.787 1.00 0.00 O ATOM 1051 CB GLN A 80 13.103 -1.040 2.429 1.00 0.00 C ATOM 1052 CG GLN A 80 13.644 -0.599 1.067 1.00 0.00 C ATOM 1053 CD GLN A 80 14.285 -1.762 0.323 1.00 0.00 C ATOM 1054 OE1 GLN A 80 15.188 -2.429 0.827 1.00 0.00 O ATOM 1055 NE2 GLN A 80 13.784 -2.051 -0.907 1.00 0.00 N ATOM 0 H GLN A 80 12.890 -0.967 4.842 1.00 0.00 H new ATOM 0 HA GLN A 80 12.766 1.054 2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.931 -1.370 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.444 -1.898 2.294 1.00 0.00 H new ATOM 0 HG2 GLN A 80 12.833 -0.184 0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.377 0.196 1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.035 -1.480 -1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.157 -2.838 -1.437 1.00 0.00 H new ATOM 1064 N ALA A 81 9.992 -0.652 3.243 1.00 0.00 N ATOM 1065 CA ALA A 81 8.606 -0.521 2.918 1.00 0.00 C ATOM 1066 C ALA A 81 7.998 0.776 3.327 1.00 0.00 C ATOM 1067 O ALA A 81 7.179 1.334 2.598 1.00 0.00 O ATOM 1068 CB ALA A 81 7.768 -1.629 3.581 1.00 0.00 C ATOM 0 H ALA A 81 10.198 -1.378 3.930 1.00 0.00 H new ATOM 0 HA ALA A 81 8.586 -0.590 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.719 -1.501 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.114 -2.603 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.877 -1.569 4.664 1.00 0.00 H new ATOM 1074 N VAL A 82 8.415 1.326 4.481 1.00 0.00 N ATOM 1075 CA VAL A 82 8.078 2.655 4.889 1.00 0.00 C ATOM 1076 C VAL A 82 8.516 3.633 3.854 1.00 0.00 C ATOM 1077 O VAL A 82 7.660 4.319 3.299 1.00 0.00 O ATOM 1078 CB VAL A 82 8.613 3.062 6.231 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.458 4.566 6.512 1.00 0.00 C ATOM 1080 CG2 VAL A 82 7.865 2.282 7.326 1.00 0.00 C ATOM 0 H VAL A 82 9.004 0.832 5.151 1.00 0.00 H new ATOM 0 HA VAL A 82 6.993 2.657 4.994 1.00 0.00 H new ATOM 0 HB VAL A 82 9.679 2.836 6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.864 4.796 7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.998 5.135 5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.402 4.835 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.247 2.572 8.305 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.800 2.508 7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.017 1.213 7.179 1.00 0.00 H new ATOM 1090 N GLU A 83 9.805 3.697 3.474 1.00 0.00 N ATOM 1091 CA GLU A 83 10.332 4.525 2.434 1.00 0.00 C ATOM 1092 C GLU A 83 9.596 4.486 1.139 1.00 0.00 C ATOM 1093 O GLU A 83 9.373 5.508 0.492 1.00 0.00 O ATOM 1094 CB GLU A 83 11.815 4.173 2.226 1.00 0.00 C ATOM 1095 CG GLU A 83 12.597 5.329 1.599 1.00 0.00 C ATOM 1096 CD GLU A 83 14.073 5.026 1.387 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.841 4.927 2.382 1.00 0.00 O ATOM 1098 OE2 GLU A 83 14.499 4.885 0.210 1.00 0.00 O ATOM 0 H GLU A 83 10.526 3.133 3.924 1.00 0.00 H new ATOM 0 HA GLU A 83 10.207 5.553 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.263 3.910 3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.892 3.294 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.146 5.583 0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.504 6.207 2.237 1.00 0.00 H new ATOM 1105 N THR A 84 9.129 3.287 0.745 1.00 0.00 N ATOM 1106 CA THR A 84 8.349 2.987 -0.414 1.00 0.00 C ATOM 1107 C THR A 84 6.992 3.602 -0.400 1.00 0.00 C ATOM 1108 O THR A 84 6.490 4.030 -1.438 1.00 0.00 O ATOM 1109 CB THR A 84 8.314 1.506 -0.649 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.633 0.984 -0.718 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.672 1.066 -1.976 1.00 0.00 C ATOM 0 H THR A 84 9.318 2.448 1.294 1.00 0.00 H new ATOM 0 HA THR A 84 8.846 3.454 -1.264 1.00 0.00 H new ATOM 0 HB THR A 84 7.721 1.136 0.187 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.024 0.963 0.180 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.696 -0.021 -2.049 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.638 1.409 -2.011 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.226 1.498 -2.809 1.00 0.00 H new ATOM 1119 N LEU A 85 6.343 3.757 0.767 1.00 0.00 N ATOM 1120 CA LEU A 85 5.118 4.475 0.946 1.00 0.00 C ATOM 1121 C LEU A 85 5.288 5.916 1.282 1.00 0.00 C ATOM 1122 O LEU A 85 4.449 6.752 0.954 1.00 0.00 O ATOM 1123 CB LEU A 85 4.363 3.860 2.138 1.00 0.00 C ATOM 1124 CG LEU A 85 3.747 2.480 1.856 1.00 0.00 C ATOM 1125 CD1 LEU A 85 3.696 1.615 3.127 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.325 2.603 1.282 1.00 0.00 C ATOM 0 H LEU A 85 6.694 3.358 1.637 1.00 0.00 H new ATOM 0 HA LEU A 85 4.595 4.403 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.049 3.773 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.570 4.543 2.442 1.00 0.00 H new ATOM 0 HG LEU A 85 4.391 2.000 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.255 0.647 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.706 1.470 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.090 2.115 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.921 1.608 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.688 3.125 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.357 3.163 0.348 1.00 0.00 H new ATOM 1138 N ARG A 86 6.395 6.269 1.961 1.00 0.00 N ATOM 1139 CA ARG A 86 6.675 7.526 2.584 1.00 0.00 C ATOM 1140 C ARG A 86 7.299 8.540 1.689 1.00 0.00 C ATOM 1141 O ARG A 86 6.848 9.682 1.629 1.00 0.00 O ATOM 1142 CB ARG A 86 7.566 7.230 3.801 1.00 0.00 C ATOM 1143 CG ARG A 86 7.924 8.400 4.721 1.00 0.00 C ATOM 1144 CD ARG A 86 9.374 8.806 4.451 1.00 0.00 C ATOM 1145 NE ARG A 86 9.716 9.889 5.414 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.489 10.960 5.070 1.00 0.00 C ATOM 1147 NH1 ARG A 86 11.247 10.954 3.934 1.00 0.00 N ATOM 1148 NH2 ARG A 86 10.494 12.062 5.875 1.00 0.00 N ATOM 0 H ARG A 86 7.165 5.611 2.084 1.00 0.00 H new ATOM 0 HA ARG A 86 5.730 7.986 2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.069 6.469 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.496 6.792 3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.255 9.242 4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.800 8.112 5.765 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.042 7.954 4.578 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.491 9.153 3.424 1.00 0.00 H new ATOM 0 HE ARG A 86 9.359 9.828 6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.243 10.138 3.323 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.817 11.766 3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.925 12.078 6.721 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.067 12.870 5.630 1.00 0.00 H new ATOM 1162 N ASN A 87 8.357 8.193 0.933 1.00 0.00 N ATOM 1163 CA ASN A 87 9.108 9.108 0.130 1.00 0.00 C ATOM 1164 C ASN A 87 8.511 9.263 -1.225 1.00 0.00 C ATOM 1165 O ASN A 87 9.184 9.381 -2.248 1.00 0.00 O ATOM 1166 CB ASN A 87 10.573 8.643 0.079 1.00 0.00 C ATOM 1167 CG ASN A 87 11.519 9.711 -0.448 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.212 10.902 -0.478 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.723 9.273 -0.904 1.00 0.00 N ATOM 0 H ASN A 87 8.703 7.235 0.879 1.00 0.00 H new ATOM 0 HA ASN A 87 9.077 10.099 0.582 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.889 8.347 1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.645 7.758 -0.553 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.397 9.938 -1.283 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.952 8.280 -0.867 1.00 0.00 H new ATOM 1176 N THR A 88 7.167 9.269 -1.279 1.00 0.00 N ATOM 1177 CA THR A 88 6.324 9.316 -2.433 1.00 0.00 C ATOM 1178 C THR A 88 5.889 10.705 -2.753 1.00 0.00 C ATOM 1179 O THR A 88 5.919 11.603 -1.912 1.00 0.00 O ATOM 1180 CB THR A 88 5.126 8.451 -2.179 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.508 8.812 -0.953 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.638 7.011 -1.998 1.00 0.00 C ATOM 0 H THR A 88 6.616 9.238 -0.421 1.00 0.00 H new ATOM 0 HA THR A 88 6.889 8.953 -3.291 1.00 0.00 H new ATOM 0 HB THR A 88 4.420 8.557 -3.002 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.523 8.047 -0.341 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.795 6.346 -1.810 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.157 6.693 -2.902 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.325 6.973 -1.153 1.00 0.00 H new ATOM 1190 N GLY A 89 5.466 10.949 -4.006 1.00 0.00 N ATOM 1191 CA GLY A 89 5.121 12.247 -4.496 1.00 0.00 C ATOM 1192 C GLY A 89 3.700 12.629 -4.268 1.00 0.00 C ATOM 1193 O GLY A 89 2.941 12.837 -5.213 1.00 0.00 O ATOM 0 H GLY A 89 5.360 10.214 -4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.765 12.986 -4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.329 12.286 -5.565 1.00 0.00 H new ATOM 1197 N GLN A 90 3.301 12.738 -2.988 1.00 0.00 N ATOM 1198 CA GLN A 90 2.007 13.084 -2.488 1.00 0.00 C ATOM 1199 C GLN A 90 0.940 12.071 -2.720 1.00 0.00 C ATOM 1200 O GLN A 90 0.273 11.636 -1.783 1.00 0.00 O ATOM 1201 CB GLN A 90 1.610 14.529 -2.835 1.00 0.00 C ATOM 1202 CG GLN A 90 0.432 15.068 -2.021 1.00 0.00 C ATOM 1203 CD GLN A 90 0.441 16.587 -1.912 1.00 0.00 C ATOM 1204 OE1 GLN A 90 0.939 17.323 -2.760 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.121 17.094 -0.783 1.00 0.00 N ATOM 0 H GLN A 90 3.956 12.565 -2.226 1.00 0.00 H new ATOM 0 HA GLN A 90 2.110 13.058 -1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.472 15.178 -2.680 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.359 14.581 -3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.501 14.746 -2.483 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.458 14.636 -1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.530 16.466 -0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.134 18.102 -0.628 1.00 0.00 H new ATOM 1214 N VAL A 91 0.774 11.610 -3.973 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.064 10.508 -4.331 1.00 0.00 C ATOM 1216 C VAL A 91 0.628 9.216 -4.060 1.00 0.00 C ATOM 1217 O VAL A 91 1.720 8.932 -4.550 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.520 10.522 -5.760 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.167 9.198 -6.199 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.537 11.667 -5.896 1.00 0.00 C ATOM 0 H VAL A 91 1.247 12.026 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.954 10.612 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 91 0.347 10.662 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.475 9.272 -7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.447 8.387 -6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.038 8.995 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.897 11.714 -6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.378 11.489 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.059 12.611 -5.635 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.055 8.355 -3.285 1.00 0.00 N ATOM 1231 CA VAL A 92 0.276 6.975 -3.109 1.00 0.00 C ATOM 1232 C VAL A 92 -0.759 6.202 -3.850 1.00 0.00 C ATOM 1233 O VAL A 92 -1.924 6.115 -3.463 1.00 0.00 O ATOM 1234 CB VAL A 92 0.329 6.629 -1.650 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.339 5.112 -1.401 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.605 7.258 -1.066 1.00 0.00 C ATOM 0 H VAL A 92 -0.880 8.636 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 92 1.265 6.736 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.568 7.018 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.378 4.920 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.566 4.669 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.212 4.670 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.673 7.024 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.477 6.857 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.571 8.339 -1.198 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.362 5.615 -4.993 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.160 4.695 -5.743 1.00 0.00 C ATOM 1248 C HIS A 93 -0.872 3.328 -5.225 1.00 0.00 C ATOM 1249 O HIS A 93 0.140 2.725 -5.578 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.840 4.848 -7.240 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.472 3.886 -8.202 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.709 3.444 -9.262 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.754 3.447 -8.322 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -1.531 2.724 -10.002 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -2.787 2.699 -9.480 1.00 0.00 N ATOM 0 H HIS A 93 0.552 5.788 -5.412 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.227 4.889 -5.631 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.127 5.856 -7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.241 4.775 -7.358 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.576 3.644 -7.649 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.242 2.217 -10.911 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.598 2.219 -9.870 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.707 2.806 -4.309 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.434 1.614 -3.565 1.00 0.00 C ATOM 1265 C LEU A 94 -1.928 0.397 -4.268 1.00 0.00 C ATOM 1266 O LEU A 94 -3.117 0.256 -4.546 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.093 1.633 -2.176 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.075 1.842 -1.041 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -1.721 2.496 0.192 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.354 0.522 -0.719 1.00 0.00 C ATOM 0 H LEU A 94 -2.606 3.229 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.349 1.582 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.838 2.428 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.622 0.694 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.316 2.547 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.969 2.626 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.130 3.468 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.522 1.858 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.363 0.686 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.084 -0.225 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.171 0.168 -1.606 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.020 -0.567 -4.506 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.361 -1.902 -4.887 1.00 0.00 C ATOM 1284 C LEU A 95 -1.489 -2.723 -3.650 1.00 0.00 C ATOM 1285 O LEU A 95 -0.510 -3.137 -3.032 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.275 -2.454 -5.827 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.829 -3.124 -7.096 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.330 -3.848 -7.802 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.008 -4.075 -6.830 1.00 0.00 C ATOM 0 H LEU A 95 -0.015 -0.411 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.309 -1.929 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.388 -1.639 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.330 -3.178 -5.281 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.242 -2.346 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.040 -4.331 -8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.103 -3.126 -8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.750 -4.600 -7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.345 -4.509 -7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.689 -4.871 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.827 -3.520 -6.373 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.755 -2.937 -3.249 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.187 -3.697 -2.118 1.00 0.00 C ATOM 1303 C LEU A 96 -3.646 -5.040 -2.571 1.00 0.00 C ATOM 1304 O LEU A 96 -4.183 -5.169 -3.670 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.384 -2.991 -1.460 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.989 -1.814 -0.552 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.778 -0.534 -0.872 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -4.204 -2.223 0.915 1.00 0.00 C ATOM 0 H LEU A 96 -3.543 -2.543 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.360 -3.791 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.053 -2.627 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.945 -3.718 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.939 -1.585 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.461 0.266 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.590 -0.239 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.843 -0.720 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.927 -1.395 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.253 -2.474 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.585 -3.090 1.146 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.461 -6.081 -1.741 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.083 -7.360 -1.892 1.00 0.00 C ATOM 1322 C GLU A 97 -4.829 -7.673 -0.641 1.00 0.00 C ATOM 1323 O GLU A 97 -4.376 -7.432 0.477 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.074 -8.494 -2.144 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.677 -9.867 -2.450 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.594 -10.924 -2.619 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.835 -11.163 -1.643 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.483 -11.539 -3.713 1.00 0.00 O ATOM 0 H GLU A 97 -2.849 -6.029 -0.926 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.739 -7.301 -2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.433 -8.206 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.434 -8.587 -1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.350 -10.159 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.276 -9.809 -3.359 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.043 -8.233 -0.790 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.898 -8.560 0.310 1.00 0.00 C ATOM 1337 C LYS A 98 -6.433 -9.770 1.044 1.00 0.00 C ATOM 1338 O LYS A 98 -6.327 -10.861 0.488 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.348 -8.712 -0.179 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.408 -8.598 0.918 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.491 -7.188 1.508 1.00 0.00 C ATOM 1342 CE LYS A 98 -10.124 -7.148 2.900 1.00 0.00 C ATOM 1343 NZ LYS A 98 -9.729 -5.902 3.595 1.00 0.00 N ATOM 0 H LYS A 98 -6.441 -8.465 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.858 -7.738 1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.544 -7.951 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.453 -9.681 -0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.380 -8.876 0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.181 -9.308 1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.488 -6.765 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.069 -6.554 0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.210 -7.201 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.806 -8.015 3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.925 -5.995 4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.713 -5.732 3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.271 -5.103 3.210 1.00 0.00 H new ATOM 1357 N GLY A 99 -6.105 -9.621 2.341 1.00 0.00 N ATOM 1358 CA GLY A 99 -5.355 -10.580 3.092 1.00 0.00 C ATOM 1359 C GLY A 99 -6.177 -11.632 3.754 1.00 0.00 C ATOM 1360 O GLY A 99 -6.060 -11.868 4.955 1.00 0.00 O ATOM 0 H GLY A 99 -6.372 -8.802 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.639 -11.062 2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.779 -10.055 3.854 1.00 0.00 H new ATOM 1364 N GLN A 100 -7.023 -12.325 2.970 1.00 0.00 N ATOM 1365 CA GLN A 100 -7.770 -13.471 3.389 1.00 0.00 C ATOM 1366 C GLN A 100 -7.555 -14.553 2.387 1.00 0.00 C ATOM 1367 O GLN A 100 -7.484 -14.292 1.187 1.00 0.00 O ATOM 1368 CB GLN A 100 -9.269 -13.160 3.530 1.00 0.00 C ATOM 1369 CG GLN A 100 -9.548 -12.243 4.722 1.00 0.00 C ATOM 1370 CD GLN A 100 -11.037 -11.954 4.852 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -11.573 -11.074 4.181 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -11.737 -12.715 5.736 1.00 0.00 N ATOM 0 H GLN A 100 -7.194 -12.074 1.996 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.422 -13.784 4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.630 -12.688 2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.824 -14.091 3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.183 -12.709 5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.002 -11.308 4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.261 -13.437 6.277 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.738 -12.564 5.858 1.00 0.00 H new ATOM 1381 N VAL A 101 -7.406 -15.806 2.853 1.00 0.00 N ATOM 1382 CA VAL A 101 -7.249 -16.973 2.041 1.00 0.00 C ATOM 1383 C VAL A 101 -8.574 -17.615 1.807 1.00 0.00 C ATOM 1384 O VAL A 101 -9.476 -17.375 2.608 1.00 0.00 O ATOM 1385 CB VAL A 101 -6.270 -17.931 2.650 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -4.893 -17.252 2.739 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -6.707 -18.443 4.033 1.00 0.00 C ATOM 0 H VAL A 101 -7.395 -16.016 3.851 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.841 -16.673 1.076 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.221 -18.808 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.175 -17.942 3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.560 -16.973 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.967 -16.359 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.956 -19.132 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.812 -17.600 4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.663 -18.960 3.944 1.00 0.00 H new ATOM 1397 N PRO A 102 -8.804 -18.384 0.786 1.00 0.00 N ATOM 1398 CA PRO A 102 -10.084 -18.987 0.547 1.00 0.00 C ATOM 1399 C PRO A 102 -10.391 -20.100 1.488 1.00 0.00 C ATOM 1400 O PRO A 102 -11.588 -20.265 1.844 1.00 0.00 O ATOM 1401 CB PRO A 102 -10.024 -19.508 -0.886 1.00 0.00 C ATOM 1402 CG PRO A 102 -8.529 -19.661 -1.204 1.00 0.00 C ATOM 1403 CD PRO A 102 -7.885 -18.577 -0.325 1.00 0.00 C ATOM 1404 OXT PRO A 102 -9.477 -20.882 1.865 1.00 0.00 O ATOM 0 HA PRO A 102 -10.877 -18.256 0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.545 -20.461 -0.979 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.503 -18.814 -1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.161 -20.656 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.321 -19.501 -2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.902 -18.890 0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.743 -17.651 -0.883 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 12.248 -1.824 16.359 1.00 0.00 N ATOM 1414 CA TYR B 205 10.834 -1.921 16.547 1.00 0.00 C ATOM 1415 C TYR B 205 10.099 -1.973 15.251 1.00 0.00 C ATOM 1416 O TYR B 205 10.604 -1.644 14.179 1.00 0.00 O ATOM 1417 CB TYR B 205 10.285 -0.768 17.405 1.00 0.00 C ATOM 1418 CG TYR B 205 10.736 -0.871 18.822 1.00 0.00 C ATOM 1419 CD1 TYR B 205 10.163 -1.804 19.654 1.00 0.00 C ATOM 1420 CD2 TYR B 205 11.678 -0.008 19.331 1.00 0.00 C ATOM 1421 CE1 TYR B 205 10.513 -1.871 20.982 1.00 0.00 C ATOM 1422 CE2 TYR B 205 12.031 -0.063 20.659 1.00 0.00 C ATOM 1423 CZ TYR B 205 11.438 -0.988 21.487 1.00 0.00 C ATOM 1424 OH TYR B 205 11.740 -1.009 22.866 1.00 0.00 O ATOM 0 HA TYR B 205 10.667 -2.858 17.078 1.00 0.00 H new ATOM 0 HB2 TYR B 205 10.612 0.184 16.987 1.00 0.00 H new ATOM 0 HB3 TYR B 205 9.196 -0.774 17.369 1.00 0.00 H new ATOM 0 HD1 TYR B 205 9.430 -2.492 19.260 1.00 0.00 H new ATOM 0 HD2 TYR B 205 12.144 0.719 18.683 1.00 0.00 H new ATOM 0 HE1 TYR B 205 10.064 -2.613 21.625 1.00 0.00 H new ATOM 0 HE2 TYR B 205 12.772 0.618 21.051 1.00 0.00 H new ATOM 0 HH TYR B 205 12.413 -0.325 23.064 1.00 0.00 H new ATOM 1434 N LEU B 206 8.823 -2.393 15.318 1.00 0.00 N ATOM 1435 CA LEU B 206 7.930 -2.543 14.211 1.00 0.00 C ATOM 1436 C LEU B 206 7.053 -1.344 14.106 1.00 0.00 C ATOM 1437 O LEU B 206 7.138 -0.435 14.930 1.00 0.00 O ATOM 1438 CB LEU B 206 7.069 -3.785 14.495 1.00 0.00 C ATOM 1439 CG LEU B 206 6.286 -4.428 13.338 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.249 -4.899 12.235 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.506 -5.608 13.942 1.00 0.00 C ATOM 0 H LEU B 206 8.387 -2.644 16.205 1.00 0.00 H new ATOM 0 HA LEU B 206 8.481 -2.651 13.277 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.722 -4.549 14.916 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.351 -3.518 15.270 1.00 0.00 H new ATOM 0 HG LEU B 206 5.604 -3.716 12.873 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.679 -5.352 11.424 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.810 -4.046 11.853 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.942 -5.634 12.646 1.00 0.00 H new ATOM 0 HD21 LEU B 206 4.930 -6.102 13.160 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.205 -6.319 14.382 1.00 0.00 H new ATOM 0 HD23 LEU B 206 4.829 -5.240 14.713 1.00 0.00 H new ATOM 1453 N VAL B 207 6.147 -1.301 13.111 1.00 0.00 N ATOM 1454 CA VAL B 207 4.937 -0.541 13.171 1.00 0.00 C ATOM 1455 C VAL B 207 5.101 0.939 13.125 1.00 0.00 C ATOM 1456 O VAL B 207 5.282 1.660 14.104 1.00 0.00 O ATOM 1457 CB VAL B 207 3.960 -1.153 14.132 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.137 -0.168 14.979 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.062 -2.123 13.345 1.00 0.00 C ATOM 0 H VAL B 207 6.261 -1.813 12.236 1.00 0.00 H new ATOM 0 HA VAL B 207 4.423 -0.632 12.214 1.00 0.00 H new ATOM 0 HB VAL B 207 4.547 -1.677 14.886 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.467 -0.724 15.635 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.809 0.444 15.581 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.551 0.475 14.322 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.341 -2.582 14.022 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.531 -1.576 12.566 1.00 0.00 H new ATOM 0 HG23 VAL B 207 3.677 -2.899 12.889 1.00 0.00 H new ATOM 1469 N THR B 208 5.065 1.462 11.886 1.00 0.00 N ATOM 1470 CA THR B 208 5.400 2.817 11.577 1.00 0.00 C ATOM 1471 C THR B 208 4.257 3.289 10.747 1.00 0.00 C ATOM 1472 O THR B 208 3.957 2.670 9.727 1.00 0.00 O ATOM 1473 CB THR B 208 6.655 2.961 10.767 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.787 2.624 11.554 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.882 4.390 10.246 1.00 0.00 C ATOM 0 H THR B 208 4.792 0.919 11.067 1.00 0.00 H new ATOM 0 HA THR B 208 5.573 3.376 12.497 1.00 0.00 H new ATOM 0 HB THR B 208 6.532 2.290 9.917 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.094 1.724 11.317 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.806 4.424 9.669 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.046 4.683 9.611 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.955 5.077 11.089 1.00 0.00 H new ATOM 1483 N SER B 209 3.594 4.367 11.200 1.00 0.00 N ATOM 1484 CA SER B 209 2.511 5.020 10.532 1.00 0.00 C ATOM 1485 C SER B 209 3.018 5.810 9.374 1.00 0.00 C ATOM 1486 O SER B 209 3.991 6.557 9.470 1.00 0.00 O ATOM 1487 CB SER B 209 1.634 5.878 11.459 1.00 0.00 C ATOM 1488 OG SER B 209 2.360 6.870 12.169 1.00 0.00 O ATOM 0 H SER B 209 3.829 4.810 12.088 1.00 0.00 H new ATOM 0 HA SER B 209 1.853 4.232 10.166 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.858 6.362 10.866 1.00 0.00 H new ATOM 0 HB3 SER B 209 1.130 5.227 12.173 1.00 0.00 H new ATOM 0 HG SER B 209 1.746 7.381 12.737 1.00 0.00 H new ATOM 1494 N VAL B 210 2.398 5.623 8.195 1.00 0.00 N ATOM 1495 CA VAL B 210 2.947 6.036 6.941 1.00 0.00 C ATOM 1496 C VAL B 210 1.736 6.041 6.019 1.00 0.00 C ATOM 1497 O VAL B 210 0.646 5.526 6.382 1.00 0.00 O ATOM 1498 CB VAL B 210 4.045 5.136 6.457 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.549 3.700 6.216 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.682 5.732 5.190 1.00 0.00 C ATOM 1501 OXT VAL B 210 1.847 6.702 4.951 1.00 0.00 O ATOM 0 H VAL B 210 1.487 5.171 8.112 1.00 0.00 H new ATOM 0 HA VAL B 210 3.438 7.008 6.997 1.00 0.00 H new ATOM 0 HB VAL B 210 4.804 5.072 7.237 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.377 3.083 5.866 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.158 3.289 7.147 1.00 0.00 H new ATOM 0 HG13 VAL B 210 2.760 3.709 5.464 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.479 5.076 4.841 1.00 0.00 H new ATOM 0 HG22 VAL B 210 3.924 5.828 4.412 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.094 6.715 5.418 1.00 0.00 H new TER 1511 VAL B 210