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+ 157:sc= 2.12 (180deg=0.116) USER MOD Set 1.2: A 88 THR OG1 : rot -117:sc= 2.13 USER MOD Set 2.1: A 78 HIS : no HD1:sc= 0.94 K(o=1.9,f=-6.3!) USER MOD Set 2.2: B 208 THR OG1 : rot -154:sc= 0.974 USER MOD Set 3.1: A 34 ASN : amide:sc= 0.269 X(o=0.53,f=0.5) USER MOD Set 3.2: A 35 THR OG1 : rot 55:sc= 0.264 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= -0.0506 (180deg=-0.367) 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 36:sc= 0.24 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) 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+ 178:sc= 0 (180deg=-0.00806) USER MOD Single : A 55 SER OG : rot -45:sc= 0.0576 USER MOD Single : A 60 HIS : no HD1:sc= 0.217 K(o=0.22,f=-3.3!) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000674) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.706 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.081) USER MOD Single : A 98 LYS NZ :NH3+ -159:sc= 1.25 (180deg=1.18) USER MOD Single : A 100 GLN : amide:sc= -0.0375 K(o=-0.038,f=-0.55) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 SER OG : rot 37:sc= 0.0837 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -13.534 -11.504 2.612 1.00 0.00 N ATOM 2 CA MET A 8 -12.962 -11.093 1.367 1.00 0.00 C ATOM 3 C MET A 8 -13.069 -12.191 0.366 1.00 0.00 C ATOM 4 O MET A 8 -13.398 -13.326 0.709 1.00 0.00 O ATOM 5 CB MET A 8 -11.495 -10.665 1.541 1.00 0.00 C ATOM 6 CG MET A 8 -11.326 -9.470 2.482 1.00 0.00 C ATOM 7 SD MET A 8 -9.584 -9.060 2.801 1.00 0.00 S ATOM 8 CE MET A 8 -10.005 -7.529 3.682 1.00 0.00 C ATOM 0 HA MET A 8 -13.520 -10.229 1.006 1.00 0.00 H new ATOM 0 HB2 MET A 8 -10.920 -11.507 1.926 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.078 -10.414 0.566 1.00 0.00 H new ATOM 0 HG2 MET A 8 -11.825 -8.602 2.052 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.822 -9.686 3.428 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.091 -7.036 4.013 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.554 -6.865 3.015 1.00 0.00 H new ATOM 0 HE3 MET A 8 -10.623 -7.766 4.548 1.00 0.00 H new ATOM 18 N LYS A 9 -12.810 -11.895 -0.921 1.00 0.00 N ATOM 19 CA LYS A 9 -12.763 -12.872 -1.964 1.00 0.00 C ATOM 20 C LYS A 9 -11.369 -13.000 -2.473 1.00 0.00 C ATOM 21 O LYS A 9 -10.644 -12.007 -2.474 1.00 0.00 O ATOM 22 CB LYS A 9 -13.664 -12.503 -3.154 1.00 0.00 C ATOM 23 CG LYS A 9 -15.158 -12.488 -2.827 1.00 0.00 C ATOM 24 CD LYS A 9 -15.822 -13.855 -2.645 1.00 0.00 C ATOM 25 CE LYS A 9 -15.891 -14.407 -1.219 1.00 0.00 C ATOM 26 NZ LYS A 9 -16.668 -13.499 -0.346 1.00 0.00 N ATOM 0 H LYS A 9 -12.628 -10.945 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.117 -13.808 -1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.374 -11.519 -3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.487 -13.212 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.303 -11.912 -1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.678 -11.957 -3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.838 -13.793 -3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.287 -14.577 -3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.352 -15.395 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.883 -14.529 -0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.994 -14.019 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.067 -12.704 -0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.490 -13.135 -0.868 1.00 0.00 H new ATOM 40 N PRO A 10 -10.890 -14.119 -2.931 1.00 0.00 N ATOM 41 CA PRO A 10 -9.614 -14.213 -3.579 1.00 0.00 C ATOM 42 C PRO A 10 -9.650 -13.617 -4.944 1.00 0.00 C ATOM 43 O PRO A 10 -10.724 -13.362 -5.485 1.00 0.00 O ATOM 44 CB PRO A 10 -9.319 -15.711 -3.562 1.00 0.00 C ATOM 45 CG PRO A 10 -10.703 -16.368 -3.685 1.00 0.00 C ATOM 46 CD PRO A 10 -11.599 -15.389 -2.908 1.00 0.00 C ATOM 0 HA PRO A 10 -8.825 -13.648 -3.083 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.667 -15.998 -4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.817 -16.008 -2.641 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.015 -16.468 -4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.719 -17.367 -3.250 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.581 -15.300 -3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.761 -15.731 -1.886 1.00 0.00 H new ATOM 54 N GLY A 11 -8.479 -13.295 -5.521 1.00 0.00 N ATOM 55 CA GLY A 11 -8.366 -12.593 -6.762 1.00 0.00 C ATOM 56 C GLY A 11 -8.503 -11.112 -6.679 1.00 0.00 C ATOM 57 O GLY A 11 -8.366 -10.397 -7.670 1.00 0.00 O ATOM 0 H GLY A 11 -7.577 -13.532 -5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.397 -12.826 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.127 -12.973 -7.444 1.00 0.00 H new ATOM 61 N ASP A 12 -8.809 -10.567 -5.487 1.00 0.00 N ATOM 62 CA ASP A 12 -9.115 -9.183 -5.298 1.00 0.00 C ATOM 63 C ASP A 12 -7.902 -8.376 -4.985 1.00 0.00 C ATOM 64 O ASP A 12 -7.454 -8.304 -3.841 1.00 0.00 O ATOM 65 CB ASP A 12 -10.190 -9.086 -4.203 1.00 0.00 C ATOM 66 CG ASP A 12 -11.142 -7.907 -4.353 1.00 0.00 C ATOM 67 OD1 ASP A 12 -11.471 -7.503 -5.501 1.00 0.00 O ATOM 68 OD2 ASP A 12 -11.648 -7.417 -3.309 1.00 0.00 O ATOM 0 H ASP A 12 -8.844 -11.110 -4.624 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.501 -8.757 -6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.772 -10.008 -4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.697 -9.017 -3.233 1.00 0.00 H new ATOM 73 N THR A 13 -7.311 -7.719 -5.999 1.00 0.00 N ATOM 74 CA THR A 13 -6.433 -6.604 -5.827 1.00 0.00 C ATOM 75 C THR A 13 -7.189 -5.349 -6.102 1.00 0.00 C ATOM 76 O THR A 13 -8.111 -5.303 -6.915 1.00 0.00 O ATOM 77 CB THR A 13 -5.209 -6.580 -6.693 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.473 -7.029 -8.014 1.00 0.00 O ATOM 79 CG2 THR A 13 -4.141 -7.509 -6.093 1.00 0.00 C ATOM 0 H THR A 13 -7.450 -7.975 -6.977 1.00 0.00 H new ATOM 0 HA THR A 13 -6.078 -6.695 -4.800 1.00 0.00 H new ATOM 0 HB THR A 13 -4.869 -5.545 -6.734 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.648 -6.995 -8.542 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.250 -7.493 -6.721 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.884 -7.168 -5.090 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.530 -8.526 -6.042 1.00 0.00 H new ATOM 87 N PHE A 14 -6.805 -4.258 -5.414 1.00 0.00 N ATOM 88 CA PHE A 14 -7.342 -2.948 -5.613 1.00 0.00 C ATOM 89 C PHE A 14 -6.191 -2.012 -5.751 1.00 0.00 C ATOM 90 O PHE A 14 -5.305 -1.943 -4.900 1.00 0.00 O ATOM 91 CB PHE A 14 -8.370 -2.429 -4.594 1.00 0.00 C ATOM 92 CG PHE A 14 -8.189 -2.822 -3.168 1.00 0.00 C ATOM 93 CD1 PHE A 14 -8.145 -4.136 -2.768 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.171 -1.857 -2.188 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.945 -4.480 -1.452 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.957 -2.180 -0.868 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.836 -3.498 -0.495 1.00 0.00 C ATOM 0 H PHE A 14 -6.089 -4.291 -4.688 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.952 -3.011 -6.514 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.372 -1.340 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.357 -2.765 -4.912 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.270 -4.916 -3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.328 -0.824 -2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.874 -5.520 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.884 -1.399 -0.125 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.657 -3.759 0.538 1.00 0.00 H new ATOM 107 N GLU A 15 -6.158 -1.261 -6.866 1.00 0.00 N ATOM 108 CA GLU A 15 -5.172 -0.258 -7.127 1.00 0.00 C ATOM 109 C GLU A 15 -5.722 1.065 -6.720 1.00 0.00 C ATOM 110 O GLU A 15 -6.266 1.831 -7.514 1.00 0.00 O ATOM 111 CB GLU A 15 -4.727 -0.266 -8.600 1.00 0.00 C ATOM 112 CG GLU A 15 -4.433 -1.672 -9.129 1.00 0.00 C ATOM 113 CD GLU A 15 -3.815 -1.680 -10.520 1.00 0.00 C ATOM 114 OE1 GLU A 15 -3.524 -0.592 -11.087 1.00 0.00 O ATOM 115 OE2 GLU A 15 -3.608 -2.804 -11.049 1.00 0.00 O ATOM 0 H GLU A 15 -6.844 -1.356 -7.615 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.276 -0.470 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.505 0.191 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.835 0.350 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.759 -2.178 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.360 -2.246 -9.148 1.00 0.00 H new ATOM 122 N VAL A 16 -5.633 1.366 -5.411 1.00 0.00 N ATOM 123 CA VAL A 16 -6.082 2.583 -4.811 1.00 0.00 C ATOM 124 C VAL A 16 -5.137 3.686 -5.144 1.00 0.00 C ATOM 125 O VAL A 16 -3.960 3.434 -5.395 1.00 0.00 O ATOM 126 CB VAL A 16 -6.148 2.423 -3.320 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.820 3.627 -2.641 1.00 0.00 C ATOM 128 CG2 VAL A 16 -6.955 1.159 -2.977 1.00 0.00 C ATOM 0 H VAL A 16 -5.224 0.722 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.074 2.822 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.124 2.347 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.846 3.469 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.254 4.532 -2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.837 3.735 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.004 1.041 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.964 1.252 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.469 0.287 -3.415 1.00 0.00 H new ATOM 138 N GLU A 17 -5.576 4.957 -5.167 1.00 0.00 N ATOM 139 CA GLU A 17 -4.694 6.083 -5.207 1.00 0.00 C ATOM 140 C GLU A 17 -5.104 7.022 -4.124 1.00 0.00 C ATOM 141 O GLU A 17 -6.254 7.443 -4.011 1.00 0.00 O ATOM 142 CB GLU A 17 -4.605 6.698 -6.613 1.00 0.00 C ATOM 143 CG GLU A 17 -5.568 7.841 -6.938 1.00 0.00 C ATOM 144 CD GLU A 17 -5.629 8.154 -8.426 1.00 0.00 C ATOM 145 OE1 GLU A 17 -6.164 7.314 -9.198 1.00 0.00 O ATOM 146 OE2 GLU A 17 -5.181 9.258 -8.837 1.00 0.00 O ATOM 0 H GLU A 17 -6.565 5.208 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.665 5.783 -5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.588 7.061 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.767 5.903 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.566 7.581 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.260 8.735 -6.395 1.00 0.00 H new ATOM 153 N LEU A 18 -4.163 7.329 -3.214 1.00 0.00 N ATOM 154 CA LEU A 18 -4.401 8.109 -2.039 1.00 0.00 C ATOM 155 C LEU A 18 -3.532 9.318 -2.095 1.00 0.00 C ATOM 156 O LEU A 18 -2.458 9.305 -2.694 1.00 0.00 O ATOM 157 CB LEU A 18 -4.027 7.329 -0.766 1.00 0.00 C ATOM 158 CG LEU A 18 -4.807 6.017 -0.577 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.265 5.256 0.645 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.321 6.255 -0.454 1.00 0.00 C ATOM 0 H LEU A 18 -3.195 7.021 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.460 8.366 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.961 7.104 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.197 7.968 0.101 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.658 5.408 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.822 4.328 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.210 5.028 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.378 5.872 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.830 5.300 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.520 6.894 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.688 6.740 -1.359 1.00 0.00 H new ATOM 172 N ALA A 19 -3.960 10.410 -1.436 1.00 0.00 N ATOM 173 CA ALA A 19 -3.143 11.565 -1.226 1.00 0.00 C ATOM 174 C ALA A 19 -2.932 11.711 0.242 1.00 0.00 C ATOM 175 O ALA A 19 -3.815 12.164 0.966 1.00 0.00 O ATOM 176 CB ALA A 19 -3.779 12.809 -1.868 1.00 0.00 C ATOM 0 H ALA A 19 -4.896 10.492 -1.040 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.173 11.451 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.140 13.675 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.890 12.648 -2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.759 12.987 -1.424 1.00 0.00 H new ATOM 182 N LYS A 20 -1.755 11.291 0.740 1.00 0.00 N ATOM 183 CA LYS A 20 -1.440 11.134 2.127 1.00 0.00 C ATOM 184 C LYS A 20 -1.656 12.373 2.924 1.00 0.00 C ATOM 185 O LYS A 20 -1.106 13.429 2.613 1.00 0.00 O ATOM 186 CB LYS A 20 0.016 10.708 2.381 1.00 0.00 C ATOM 187 CG LYS A 20 0.655 9.762 1.362 1.00 0.00 C ATOM 188 CD LYS A 20 1.847 10.406 0.652 1.00 0.00 C ATOM 189 CE LYS A 20 3.082 10.548 1.546 1.00 0.00 C ATOM 190 NZ LYS A 20 4.202 11.148 0.788 1.00 0.00 N ATOM 0 H LYS A 20 -0.973 11.045 0.134 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.126 10.349 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.627 11.609 2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.063 10.232 3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.981 8.853 1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.091 9.467 0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.107 9.808 -0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.555 11.391 0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.844 11.170 2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.376 9.571 1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.871 11.591 1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.691 10.407 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.833 11.868 0.135 1.00 0.00 H new ATOM 204 N THR A 21 -2.473 12.322 3.991 1.00 0.00 N ATOM 205 CA THR A 21 -2.890 13.512 4.665 1.00 0.00 C ATOM 206 C THR A 21 -1.889 13.924 5.688 1.00 0.00 C ATOM 207 O THR A 21 -1.713 13.303 6.736 1.00 0.00 O ATOM 208 CB THR A 21 -4.316 13.459 5.128 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.785 14.733 5.541 1.00 0.00 O ATOM 210 CG2 THR A 21 -4.559 12.447 6.261 1.00 0.00 C ATOM 0 H THR A 21 -2.844 11.458 4.387 1.00 0.00 H new ATOM 0 HA THR A 21 -2.908 14.327 3.942 1.00 0.00 H new ATOM 0 HB THR A 21 -4.877 13.125 4.255 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.717 14.659 5.834 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.611 12.464 6.544 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.291 11.447 5.920 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.947 12.712 7.123 1.00 0.00 H new ATOM 218 N ASP A 22 -1.113 14.973 5.360 1.00 0.00 N ATOM 219 CA ASP A 22 -0.004 15.491 6.097 1.00 0.00 C ATOM 220 C ASP A 22 1.162 14.576 6.253 1.00 0.00 C ATOM 221 O ASP A 22 2.043 14.795 7.082 1.00 0.00 O ATOM 222 CB ASP A 22 -0.467 16.129 7.418 1.00 0.00 C ATOM 223 CG ASP A 22 0.176 17.492 7.626 1.00 0.00 C ATOM 224 OD1 ASP A 22 -0.177 18.425 6.855 1.00 0.00 O ATOM 225 OD2 ASP A 22 1.006 17.650 8.561 1.00 0.00 O ATOM 0 H ASP A 22 -1.278 15.503 4.504 1.00 0.00 H new ATOM 0 HA ASP A 22 0.410 16.280 5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.552 16.233 7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.212 15.473 8.251 1.00 0.00 H new ATOM 230 N GLY A 23 1.248 13.509 5.438 1.00 0.00 N ATOM 231 CA GLY A 23 2.264 12.507 5.544 1.00 0.00 C ATOM 232 C GLY A 23 1.836 11.405 6.451 1.00 0.00 C ATOM 233 O GLY A 23 2.197 11.387 7.626 1.00 0.00 O ATOM 0 H GLY A 23 0.588 13.338 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.486 12.104 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.184 12.955 5.920 1.00 0.00 H new ATOM 237 N SER A 24 1.088 10.436 5.894 1.00 0.00 N ATOM 238 CA SER A 24 0.365 9.387 6.546 1.00 0.00 C ATOM 239 C SER A 24 -0.794 9.036 5.677 1.00 0.00 C ATOM 240 O SER A 24 -1.764 9.782 5.547 1.00 0.00 O ATOM 241 CB SER A 24 -0.126 9.563 7.992 1.00 0.00 C ATOM 242 OG SER A 24 -1.011 10.659 8.169 1.00 0.00 O ATOM 0 H SER A 24 0.980 10.384 4.881 1.00 0.00 H new ATOM 0 HA SER A 24 1.118 8.609 6.671 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.628 8.649 8.309 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.737 9.696 8.645 1.00 0.00 H new ATOM 0 HG SER A 24 -1.581 10.750 7.377 1.00 0.00 H new ATOM 248 N LEU A 25 -0.731 7.844 5.056 1.00 0.00 N ATOM 249 CA LEU A 25 -1.816 7.105 4.490 1.00 0.00 C ATOM 250 C LEU A 25 -2.676 6.645 5.616 1.00 0.00 C ATOM 251 O LEU A 25 -3.906 6.683 5.584 1.00 0.00 O ATOM 252 CB LEU A 25 -1.279 5.840 3.800 1.00 0.00 C ATOM 253 CG LEU A 25 -0.134 6.063 2.797 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.720 4.789 2.685 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.630 6.551 1.425 1.00 0.00 C ATOM 0 H LEU A 25 0.158 7.357 4.941 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.355 7.729 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.935 5.148 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.104 5.354 3.279 1.00 0.00 H new ATOM 0 HG LEU A 25 0.493 6.868 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.529 4.954 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.140 4.545 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.098 3.963 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.221 6.691 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.307 5.811 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.157 7.498 1.544 1.00 0.00 H new ATOM 267 N GLY A 26 -2.014 6.207 6.701 1.00 0.00 N ATOM 268 CA GLY A 26 -2.624 5.853 7.946 1.00 0.00 C ATOM 269 C GLY A 26 -2.539 4.383 8.177 1.00 0.00 C ATOM 270 O GLY A 26 -3.430 3.795 8.788 1.00 0.00 O ATOM 0 H GLY A 26 -1.000 6.094 6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.132 6.383 8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.668 6.166 7.947 1.00 0.00 H new ATOM 274 N ILE A 27 -1.466 3.736 7.691 1.00 0.00 N ATOM 275 CA ILE A 27 -1.244 2.348 7.955 1.00 0.00 C ATOM 276 C ILE A 27 0.068 2.176 8.639 1.00 0.00 C ATOM 277 O ILE A 27 1.090 2.716 8.219 1.00 0.00 O ATOM 278 CB ILE A 27 -1.383 1.488 6.734 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.564 2.007 5.540 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.887 1.419 6.423 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.470 1.010 4.385 1.00 0.00 C ATOM 0 H ILE A 27 -0.749 4.175 7.113 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.030 1.998 8.625 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.978 0.494 6.923 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.013 2.931 5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.442 2.253 5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.048 0.802 5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.414 0.982 7.271 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.267 2.424 6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.122 1.443 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.007 0.094 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.471 0.782 4.019 1.00 0.00 H new ATOM 293 N SER A 28 0.071 1.419 9.751 1.00 0.00 N ATOM 294 CA SER A 28 1.270 0.959 10.380 1.00 0.00 C ATOM 295 C SER A 28 1.728 -0.327 9.785 1.00 0.00 C ATOM 296 O SER A 28 1.042 -1.347 9.829 1.00 0.00 O ATOM 297 CB SER A 28 1.240 0.721 11.900 1.00 0.00 C ATOM 298 OG SER A 28 1.026 1.951 12.575 1.00 0.00 O ATOM 0 H SER A 28 -0.781 1.119 10.225 1.00 0.00 H new ATOM 0 HA SER A 28 1.937 1.803 10.200 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.448 0.015 12.151 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.180 0.275 12.226 1.00 0.00 H new ATOM 0 HG SER A 28 1.006 1.794 13.542 1.00 0.00 H new ATOM 304 N VAL A 29 2.945 -0.312 9.214 1.00 0.00 N ATOM 305 CA VAL A 29 3.451 -1.414 8.456 1.00 0.00 C ATOM 306 C VAL A 29 4.135 -2.493 9.225 1.00 0.00 C ATOM 307 O VAL A 29 4.998 -2.251 10.067 1.00 0.00 O ATOM 308 CB VAL A 29 4.349 -0.896 7.373 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.470 -0.169 6.341 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.427 0.042 7.940 1.00 0.00 C ATOM 0 H VAL A 29 3.588 0.477 9.279 1.00 0.00 H new ATOM 0 HA VAL A 29 2.567 -1.907 8.050 1.00 0.00 H new ATOM 0 HB VAL A 29 4.876 -1.725 6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.097 0.220 5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.742 -0.867 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.947 0.656 6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.061 0.400 7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.950 0.891 8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.036 -0.499 8.665 1.00 0.00 H new ATOM 320 N THR A 30 3.804 -3.765 8.940 1.00 0.00 N ATOM 321 CA THR A 30 4.397 -4.929 9.523 1.00 0.00 C ATOM 322 C THR A 30 4.894 -5.855 8.468 1.00 0.00 C ATOM 323 O THR A 30 4.631 -5.688 7.277 1.00 0.00 O ATOM 324 CB THR A 30 3.485 -5.642 10.476 1.00 0.00 C ATOM 325 OG1 THR A 30 4.125 -6.596 11.310 1.00 0.00 O ATOM 326 CG2 THR A 30 2.324 -6.344 9.752 1.00 0.00 C ATOM 0 H THR A 30 3.078 -3.994 8.261 1.00 0.00 H new ATOM 0 HA THR A 30 5.244 -4.580 10.114 1.00 0.00 H new ATOM 0 HB THR A 30 3.112 -4.840 11.113 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.462 -7.012 11.900 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.690 -6.847 10.483 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.735 -5.606 9.208 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.723 -7.078 9.052 1.00 0.00 H new ATOM 334 N GLY A 31 5.650 -6.886 8.887 1.00 0.00 N ATOM 335 CA GLY A 31 6.226 -7.883 8.041 1.00 0.00 C ATOM 336 C GLY A 31 7.535 -7.479 7.454 1.00 0.00 C ATOM 337 O GLY A 31 8.498 -7.196 8.166 1.00 0.00 O ATOM 0 H GLY A 31 5.871 -7.031 9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.361 -8.801 8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.529 -8.110 7.234 1.00 0.00 H new ATOM 341 N GLY A 32 7.617 -7.468 6.112 1.00 0.00 N ATOM 342 CA GLY A 32 8.799 -7.151 5.373 1.00 0.00 C ATOM 343 C GLY A 32 9.624 -8.357 5.085 1.00 0.00 C ATOM 344 O GLY A 32 9.597 -9.340 5.824 1.00 0.00 O ATOM 0 H GLY A 32 6.821 -7.691 5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.521 -6.671 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.395 -6.431 5.935 1.00 0.00 H new ATOM 348 N VAL A 33 10.437 -8.308 4.015 1.00 0.00 N ATOM 349 CA VAL A 33 11.240 -9.380 3.511 1.00 0.00 C ATOM 350 C VAL A 33 12.218 -9.922 4.493 1.00 0.00 C ATOM 351 O VAL A 33 12.720 -11.041 4.389 1.00 0.00 O ATOM 352 CB VAL A 33 11.923 -8.983 2.237 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.189 -8.144 2.479 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.248 -10.228 1.394 1.00 0.00 C ATOM 0 H VAL A 33 10.540 -7.457 3.462 1.00 0.00 H new ATOM 0 HA VAL A 33 10.547 -10.196 3.307 1.00 0.00 H new ATOM 0 HB VAL A 33 11.229 -8.349 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.642 -7.885 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.924 -7.232 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.899 -8.720 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.744 -9.924 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.906 -10.888 1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.325 -10.755 1.153 1.00 0.00 H new ATOM 364 N ASN A 34 12.496 -9.110 5.530 1.00 0.00 N ATOM 365 CA ASN A 34 13.361 -9.359 6.640 1.00 0.00 C ATOM 366 C ASN A 34 12.886 -10.455 7.531 1.00 0.00 C ATOM 367 O ASN A 34 13.694 -11.256 7.999 1.00 0.00 O ATOM 368 CB ASN A 34 13.472 -8.027 7.402 1.00 0.00 C ATOM 369 CG ASN A 34 14.392 -8.077 8.613 1.00 0.00 C ATOM 370 OD1 ASN A 34 13.942 -8.272 9.742 1.00 0.00 O ATOM 371 ND2 ASN A 34 15.720 -7.896 8.383 1.00 0.00 N ATOM 0 H ASN A 34 12.069 -8.186 5.594 1.00 0.00 H new ATOM 0 HA ASN A 34 14.330 -9.705 6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.832 -7.259 6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.477 -7.723 7.728 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.380 -7.919 9.160 1.00 0.00 H new ATOM 0 HD22 ASN A 34 16.056 -7.737 7.433 1.00 0.00 H new ATOM 378 N THR A 35 11.577 -10.507 7.835 1.00 0.00 N ATOM 379 CA THR A 35 11.036 -11.398 8.814 1.00 0.00 C ATOM 380 C THR A 35 9.847 -12.114 8.273 1.00 0.00 C ATOM 381 O THR A 35 9.985 -13.128 7.591 1.00 0.00 O ATOM 382 CB THR A 35 10.729 -10.742 10.127 1.00 0.00 C ATOM 383 OG1 THR A 35 11.858 -10.055 10.646 1.00 0.00 O ATOM 384 CG2 THR A 35 10.394 -11.774 11.217 1.00 0.00 C ATOM 0 H THR A 35 10.877 -9.915 7.389 1.00 0.00 H new ATOM 0 HA THR A 35 11.819 -12.125 9.030 1.00 0.00 H new ATOM 0 HB THR A 35 9.894 -10.075 9.915 1.00 0.00 H new ATOM 0 HG1 THR A 35 12.192 -9.422 9.976 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.178 -11.258 12.152 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.523 -12.355 10.913 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.244 -12.442 11.359 1.00 0.00 H new ATOM 392 N SER A 36 8.614 -11.659 8.561 1.00 0.00 N ATOM 393 CA SER A 36 7.424 -12.426 8.363 1.00 0.00 C ATOM 394 C SER A 36 6.668 -12.069 7.129 1.00 0.00 C ATOM 395 O SER A 36 5.637 -11.403 7.198 1.00 0.00 O ATOM 396 CB SER A 36 6.426 -12.258 9.521 1.00 0.00 C ATOM 397 OG SER A 36 6.964 -12.746 10.741 1.00 0.00 O ATOM 0 H SER A 36 8.440 -10.729 8.943 1.00 0.00 H new ATOM 0 HA SER A 36 7.797 -13.447 8.290 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.167 -11.205 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.504 -12.791 9.289 1.00 0.00 H new ATOM 0 HG SER A 36 6.309 -12.625 11.459 1.00 0.00 H new ATOM 403 N VAL A 37 7.117 -12.530 5.948 1.00 0.00 N ATOM 404 CA VAL A 37 6.345 -12.512 4.744 1.00 0.00 C ATOM 405 C VAL A 37 6.350 -13.907 4.221 1.00 0.00 C ATOM 406 O VAL A 37 6.933 -14.801 4.831 1.00 0.00 O ATOM 407 CB VAL A 37 6.939 -11.572 3.738 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.740 -10.135 4.252 1.00 0.00 C ATOM 409 CG2 VAL A 37 8.433 -11.859 3.514 1.00 0.00 C ATOM 0 H VAL A 37 8.048 -12.928 5.827 1.00 0.00 H new ATOM 0 HA VAL A 37 5.331 -12.164 4.939 1.00 0.00 H new ATOM 0 HB VAL A 37 6.441 -11.706 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.164 -9.431 3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.675 -9.935 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.239 -10.020 5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.832 -11.160 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.971 -11.743 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.557 -12.879 3.149 1.00 0.00 H new ATOM 419 N ARG A 38 5.742 -14.162 3.049 1.00 0.00 N ATOM 420 CA ARG A 38 6.035 -15.352 2.311 1.00 0.00 C ATOM 421 C ARG A 38 7.299 -15.148 1.548 1.00 0.00 C ATOM 422 O ARG A 38 8.258 -15.899 1.711 1.00 0.00 O ATOM 423 CB ARG A 38 4.865 -15.787 1.411 1.00 0.00 C ATOM 424 CG ARG A 38 3.898 -16.706 2.159 1.00 0.00 C ATOM 425 CD ARG A 38 2.694 -17.163 1.334 1.00 0.00 C ATOM 426 NE ARG A 38 1.773 -15.994 1.252 1.00 0.00 N ATOM 427 CZ ARG A 38 0.551 -16.030 0.643 1.00 0.00 C ATOM 428 NH1 ARG A 38 0.137 -17.094 -0.105 1.00 0.00 N ATOM 429 NH2 ARG A 38 -0.273 -14.955 0.813 1.00 0.00 N ATOM 0 H ARG A 38 5.052 -13.549 2.614 1.00 0.00 H new ATOM 0 HA ARG A 38 6.176 -16.177 3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.331 -14.906 1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.252 -16.302 0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.443 -17.586 2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.538 -16.188 3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.004 -17.484 0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.201 -18.014 1.804 1.00 0.00 H new ATOM 0 HE ARG A 38 2.073 -15.116 1.675 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.748 -17.901 -0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.784 -17.082 -0.544 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.032 -14.163 1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.194 -14.944 0.374 1.00 0.00 H new ATOM 443 N HIS A 39 7.376 -14.085 0.727 1.00 0.00 N ATOM 444 CA HIS A 39 8.633 -13.699 0.165 1.00 0.00 C ATOM 445 C HIS A 39 8.739 -12.249 -0.161 1.00 0.00 C ATOM 446 O HIS A 39 9.791 -11.788 -0.600 1.00 0.00 O ATOM 447 CB HIS A 39 8.950 -14.524 -1.093 1.00 0.00 C ATOM 448 CG HIS A 39 10.180 -15.375 -0.982 1.00 0.00 C ATOM 449 ND1 HIS A 39 11.399 -14.903 -1.427 1.00 0.00 N ATOM 450 CD2 HIS A 39 10.303 -16.642 -0.503 1.00 0.00 C ATOM 451 CE1 HIS A 39 12.249 -15.885 -1.196 1.00 0.00 C ATOM 452 NE2 HIS A 39 11.636 -16.968 -0.650 1.00 0.00 N ATOM 0 H HIS A 39 6.584 -13.502 0.456 1.00 0.00 H new ATOM 0 HA HIS A 39 9.364 -13.901 0.948 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.098 -15.166 -1.316 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.068 -13.845 -1.938 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.521 -17.263 -0.093 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.305 -15.834 -1.415 1.00 0.00 H new ATOM 0 HE2 HIS A 39 12.077 -17.852 -0.397 1.00 0.00 H new ATOM 460 N GLY A 40 7.696 -11.423 0.034 1.00 0.00 N ATOM 461 CA GLY A 40 7.781 -10.066 -0.407 1.00 0.00 C ATOM 462 C GLY A 40 6.464 -9.381 -0.276 1.00 0.00 C ATOM 463 O GLY A 40 5.416 -9.849 -0.718 1.00 0.00 O ATOM 0 H GLY A 40 6.818 -11.684 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.531 -9.535 0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.109 -10.037 -1.446 1.00 0.00 H new ATOM 467 N GLY A 41 6.498 -8.225 0.412 1.00 0.00 N ATOM 468 CA GLY A 41 5.412 -7.303 0.543 1.00 0.00 C ATOM 469 C GLY A 41 5.539 -6.611 1.855 1.00 0.00 C ATOM 470 O GLY A 41 6.323 -7.028 2.708 1.00 0.00 O ATOM 0 H GLY A 41 7.335 -7.916 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.429 -6.578 -0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.459 -7.828 0.482 1.00 0.00 H new ATOM 474 N ILE A 42 4.742 -5.551 2.078 1.00 0.00 N ATOM 475 CA ILE A 42 4.546 -5.024 3.392 1.00 0.00 C ATOM 476 C ILE A 42 3.103 -5.215 3.714 1.00 0.00 C ATOM 477 O ILE A 42 2.288 -5.418 2.816 1.00 0.00 O ATOM 478 CB ILE A 42 5.091 -3.643 3.604 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.560 -3.451 5.056 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.136 -2.482 3.280 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.823 -4.239 5.405 1.00 0.00 C ATOM 0 H ILE A 42 4.232 -5.058 1.345 1.00 0.00 H new ATOM 0 HA ILE A 42 5.149 -5.571 4.117 1.00 0.00 H new ATOM 0 HB ILE A 42 5.912 -3.593 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.744 -2.391 5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.758 -3.751 5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.638 -1.534 3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.844 -2.533 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.248 -2.555 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.092 -4.053 6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.638 -5.304 5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.640 -3.923 4.757 1.00 0.00 H new ATOM 493 N TYR A 43 2.721 -5.277 5.002 1.00 0.00 N ATOM 494 CA TYR A 43 1.399 -5.681 5.370 1.00 0.00 C ATOM 495 C TYR A 43 0.883 -4.704 6.369 1.00 0.00 C ATOM 496 O TYR A 43 1.645 -4.067 7.096 1.00 0.00 O ATOM 497 CB TYR A 43 1.403 -7.078 6.015 1.00 0.00 C ATOM 498 CG TYR A 43 1.702 -8.159 5.035 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.970 -8.355 4.540 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.693 -9.001 4.630 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.217 -9.339 3.613 1.00 0.00 C ATOM 502 CE2 TYR A 43 0.944 -10.025 3.747 1.00 0.00 C ATOM 503 CZ TYR A 43 2.209 -10.198 3.237 1.00 0.00 C ATOM 504 OH TYR A 43 2.460 -11.248 2.330 1.00 0.00 O ATOM 0 H TYR A 43 3.328 -5.047 5.789 1.00 0.00 H new ATOM 0 HA TYR A 43 0.776 -5.714 4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.143 -7.103 6.815 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.432 -7.266 6.473 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.780 -7.729 4.883 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.308 -8.856 5.010 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.201 -9.438 3.180 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.148 -10.693 3.454 1.00 0.00 H new ATOM 0 HH TYR A 43 1.635 -11.754 2.179 1.00 0.00 H new ATOM 514 N VAL A 44 -0.448 -4.521 6.436 1.00 0.00 N ATOM 515 CA VAL A 44 -1.072 -3.488 7.203 1.00 0.00 C ATOM 516 C VAL A 44 -1.444 -3.970 8.563 1.00 0.00 C ATOM 517 O VAL A 44 -2.382 -4.748 8.731 1.00 0.00 O ATOM 518 CB VAL A 44 -2.306 -3.095 6.445 1.00 0.00 C ATOM 519 CG1 VAL A 44 -3.053 -1.970 7.181 1.00 0.00 C ATOM 520 CG2 VAL A 44 -1.934 -2.634 5.026 1.00 0.00 C ATOM 0 H VAL A 44 -1.113 -5.113 5.939 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.391 -2.648 7.341 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.960 -3.964 6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.945 -1.697 6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.342 -2.314 8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.402 -1.101 7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.838 -2.352 4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.264 -1.776 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.436 -3.447 4.498 1.00 0.00 H new ATOM 530 N LYS A 45 -0.734 -3.545 9.624 1.00 0.00 N ATOM 531 CA LYS A 45 -0.986 -4.002 10.955 1.00 0.00 C ATOM 532 C LYS A 45 -2.031 -3.211 11.665 1.00 0.00 C ATOM 533 O LYS A 45 -2.911 -3.782 12.308 1.00 0.00 O ATOM 534 CB LYS A 45 0.280 -4.006 11.828 1.00 0.00 C ATOM 535 CG LYS A 45 0.175 -4.810 13.125 1.00 0.00 C ATOM 536 CD LYS A 45 0.059 -6.321 12.914 1.00 0.00 C ATOM 537 CE LYS A 45 -0.285 -7.133 14.164 1.00 0.00 C ATOM 538 NZ LYS A 45 0.878 -7.255 15.071 1.00 0.00 N ATOM 0 H LYS A 45 0.029 -2.872 9.556 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.345 -5.022 10.819 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.107 -4.403 11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.533 -2.976 12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.052 -4.606 13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.694 -4.464 13.685 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.704 -6.508 12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.003 -6.688 12.511 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.111 -6.657 14.692 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.625 -8.126 13.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.609 -7.811 15.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.657 -7.732 14.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.186 -6.308 15.370 1.00 0.00 H new ATOM 552 N ALA A 46 -2.022 -1.873 11.537 1.00 0.00 N ATOM 553 CA ALA A 46 -3.017 -1.033 12.126 1.00 0.00 C ATOM 554 C ALA A 46 -3.619 -0.062 11.170 1.00 0.00 C ATOM 555 O ALA A 46 -2.913 0.600 10.412 1.00 0.00 O ATOM 556 CB ALA A 46 -2.417 -0.328 13.354 1.00 0.00 C ATOM 0 H ALA A 46 -1.309 -1.364 11.014 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.847 -1.668 12.436 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.171 0.315 13.809 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.091 -1.074 14.079 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.563 0.276 13.046 1.00 0.00 H new ATOM 562 N ILE A 47 -4.961 0.034 11.179 1.00 0.00 N ATOM 563 CA ILE A 47 -5.781 0.937 10.435 1.00 0.00 C ATOM 564 C ILE A 47 -6.195 2.075 11.304 1.00 0.00 C ATOM 565 O ILE A 47 -6.737 1.886 12.392 1.00 0.00 O ATOM 566 CB ILE A 47 -7.038 0.298 9.922 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.772 -0.913 9.010 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.989 1.266 9.199 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.912 -0.622 7.781 1.00 0.00 C ATOM 0 H ILE A 47 -5.523 -0.582 11.766 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.179 1.264 9.588 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.533 -0.041 10.832 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.286 -1.691 9.598 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.729 -1.315 8.678 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.872 0.724 8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.291 2.059 9.883 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.480 1.703 8.340 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.782 -1.537 7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.403 0.131 7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.937 -0.252 8.098 1.00 0.00 H new ATOM 581 N ILE A 48 -5.990 3.316 10.826 1.00 0.00 N ATOM 582 CA ILE A 48 -6.422 4.513 11.476 1.00 0.00 C ATOM 583 C ILE A 48 -7.731 4.969 10.925 1.00 0.00 C ATOM 584 O ILE A 48 -7.751 5.374 9.765 1.00 0.00 O ATOM 585 CB ILE A 48 -5.438 5.618 11.228 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.021 5.247 11.698 1.00 0.00 C ATOM 587 CG2 ILE A 48 -5.879 6.916 11.925 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.037 6.342 11.289 1.00 0.00 C ATOM 0 H ILE A 48 -5.502 3.492 9.948 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.509 4.293 12.540 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.413 5.774 10.150 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.009 5.120 12.780 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.721 4.294 11.262 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.148 7.701 11.729 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.852 7.222 11.541 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.950 6.746 12.999 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.035 6.074 11.624 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.041 6.448 10.204 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.333 7.286 11.746 1.00 0.00 H new ATOM 600 N PRO A 49 -8.843 4.987 11.598 1.00 0.00 N ATOM 601 CA PRO A 49 -10.041 5.589 11.089 1.00 0.00 C ATOM 602 C PRO A 49 -10.064 7.073 11.227 1.00 0.00 C ATOM 603 O PRO A 49 -10.875 7.605 11.984 1.00 0.00 O ATOM 604 CB PRO A 49 -11.134 4.904 11.907 1.00 0.00 C ATOM 605 CG PRO A 49 -10.488 4.708 13.288 1.00 0.00 C ATOM 606 CD PRO A 49 -9.023 4.419 12.925 1.00 0.00 C ATOM 0 HA PRO A 49 -10.155 5.450 10.014 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.032 5.518 11.969 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.429 3.953 11.464 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.585 5.596 13.912 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.942 3.882 13.836 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.342 4.873 13.644 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.820 3.348 12.926 1.00 0.00 H new ATOM 614 N LYS A 50 -9.163 7.755 10.499 1.00 0.00 N ATOM 615 CA LYS A 50 -9.075 9.171 10.325 1.00 0.00 C ATOM 616 C LYS A 50 -7.879 9.571 9.530 1.00 0.00 C ATOM 617 O LYS A 50 -7.514 10.746 9.496 1.00 0.00 O ATOM 618 CB LYS A 50 -9.145 10.013 11.610 1.00 0.00 C ATOM 619 CG LYS A 50 -8.124 9.701 12.706 1.00 0.00 C ATOM 620 CD LYS A 50 -8.416 10.415 14.027 1.00 0.00 C ATOM 621 CE LYS A 50 -7.680 11.730 14.289 1.00 0.00 C ATOM 622 NZ LYS A 50 -7.976 12.746 13.255 1.00 0.00 N ATOM 0 H LYS A 50 -8.429 7.268 9.985 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.985 9.400 9.770 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.034 11.061 11.333 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.142 9.899 12.035 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.105 8.625 12.879 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.131 9.986 12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.487 10.612 14.075 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.182 9.729 14.841 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.964 12.116 15.268 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.606 11.545 14.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.484 13.632 13.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.651 12.403 12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.001 12.918 13.220 1.00 0.00 H new ATOM 636 N GLY A 51 -7.211 8.649 8.816 1.00 0.00 N ATOM 637 CA GLY A 51 -6.130 8.974 7.937 1.00 0.00 C ATOM 638 C GLY A 51 -6.598 9.160 6.535 1.00 0.00 C ATOM 639 O GLY A 51 -7.239 10.155 6.202 1.00 0.00 O ATOM 0 H GLY A 51 -7.427 7.653 8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.642 9.886 8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.383 8.181 7.969 1.00 0.00 H new ATOM 643 N ALA A 52 -6.263 8.207 5.647 1.00 0.00 N ATOM 644 CA ALA A 52 -6.547 8.286 4.247 1.00 0.00 C ATOM 645 C ALA A 52 -6.867 6.940 3.696 1.00 0.00 C ATOM 646 O ALA A 52 -7.756 6.784 2.860 1.00 0.00 O ATOM 647 CB ALA A 52 -5.332 8.877 3.513 1.00 0.00 C ATOM 0 H ALA A 52 -5.777 7.351 5.913 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.414 8.930 4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.546 8.938 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.124 9.875 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.464 8.238 3.673 1.00 0.00 H new ATOM 653 N ALA A 53 -6.140 5.904 4.153 1.00 0.00 N ATOM 654 CA ALA A 53 -6.227 4.545 3.716 1.00 0.00 C ATOM 655 C ALA A 53 -7.472 3.854 4.156 1.00 0.00 C ATOM 656 O ALA A 53 -8.099 3.150 3.367 1.00 0.00 O ATOM 657 CB ALA A 53 -4.969 3.803 4.195 1.00 0.00 C ATOM 0 H ALA A 53 -5.439 6.028 4.883 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.279 4.540 2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.015 2.763 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.084 4.276 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.915 3.843 5.283 1.00 0.00 H new ATOM 663 N GLU A 54 -7.941 4.063 5.399 1.00 0.00 N ATOM 664 CA GLU A 54 -9.223 3.614 5.844 1.00 0.00 C ATOM 665 C GLU A 54 -10.320 4.258 5.067 1.00 0.00 C ATOM 666 O GLU A 54 -11.362 3.679 4.765 1.00 0.00 O ATOM 667 CB GLU A 54 -9.461 3.951 7.326 1.00 0.00 C ATOM 668 CG GLU A 54 -10.860 3.662 7.877 1.00 0.00 C ATOM 669 CD GLU A 54 -11.448 2.276 7.654 1.00 0.00 C ATOM 670 OE1 GLU A 54 -10.760 1.307 7.238 1.00 0.00 O ATOM 671 OE2 GLU A 54 -12.682 2.154 7.878 1.00 0.00 O ATOM 0 H GLU A 54 -7.412 4.559 6.116 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.230 2.534 5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.738 3.395 7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.248 5.010 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.840 3.846 8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.546 4.389 7.442 1.00 0.00 H new ATOM 678 N SER A 55 -10.085 5.521 4.667 1.00 0.00 N ATOM 679 CA SER A 55 -10.987 6.238 3.822 1.00 0.00 C ATOM 680 C SER A 55 -11.030 5.801 2.398 1.00 0.00 C ATOM 681 O SER A 55 -11.805 6.337 1.607 1.00 0.00 O ATOM 682 CB SER A 55 -10.766 7.758 3.902 1.00 0.00 C ATOM 683 OG SER A 55 -11.971 8.476 3.674 1.00 0.00 O ATOM 0 H SER A 55 -9.256 6.052 4.935 1.00 0.00 H new ATOM 0 HA SER A 55 -11.965 5.985 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.368 8.017 4.883 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.019 8.057 3.166 1.00 0.00 H new ATOM 0 HG SER A 55 -12.439 8.093 2.903 1.00 0.00 H new ATOM 689 N ASP A 56 -10.273 4.767 1.990 1.00 0.00 N ATOM 690 CA ASP A 56 -10.571 3.985 0.831 1.00 0.00 C ATOM 691 C ASP A 56 -11.769 3.147 1.114 1.00 0.00 C ATOM 692 O ASP A 56 -12.859 3.405 0.605 1.00 0.00 O ATOM 693 CB ASP A 56 -9.376 3.110 0.415 1.00 0.00 C ATOM 694 CG ASP A 56 -9.721 2.369 -0.868 1.00 0.00 C ATOM 695 OD1 ASP A 56 -9.927 3.060 -1.901 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.888 1.120 -0.836 1.00 0.00 O ATOM 0 H ASP A 56 -9.430 4.467 2.480 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.778 4.654 -0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.492 3.729 0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.137 2.400 1.206 1.00 0.00 H new ATOM 701 N GLY A 57 -11.596 2.131 1.977 1.00 0.00 N ATOM 702 CA GLY A 57 -12.677 1.439 2.607 1.00 0.00 C ATOM 703 C GLY A 57 -12.561 -0.043 2.499 1.00 0.00 C ATOM 704 O GLY A 57 -13.303 -0.788 3.138 1.00 0.00 O ATOM 0 H GLY A 57 -10.676 1.780 2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.716 1.719 3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.617 1.758 2.157 1.00 0.00 H new ATOM 708 N ARG A 58 -11.632 -0.522 1.652 1.00 0.00 N ATOM 709 CA ARG A 58 -11.487 -1.907 1.329 1.00 0.00 C ATOM 710 C ARG A 58 -10.475 -2.625 2.154 1.00 0.00 C ATOM 711 O ARG A 58 -10.441 -3.854 2.142 1.00 0.00 O ATOM 712 CB ARG A 58 -11.143 -1.981 -0.168 1.00 0.00 C ATOM 713 CG ARG A 58 -12.320 -1.586 -1.064 1.00 0.00 C ATOM 714 CD ARG A 58 -11.979 -1.518 -2.553 1.00 0.00 C ATOM 715 NE ARG A 58 -11.221 -0.258 -2.788 1.00 0.00 N ATOM 716 CZ ARG A 58 -11.317 0.487 -3.927 1.00 0.00 C ATOM 717 NH1 ARG A 58 -12.035 0.093 -5.020 1.00 0.00 N ATOM 718 NH2 ARG A 58 -10.727 1.716 -3.989 1.00 0.00 N ATOM 0 H ARG A 58 -10.958 0.077 1.175 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.422 -2.419 1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.298 -1.325 -0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.828 -2.995 -0.415 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.128 -2.303 -0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.696 -0.614 -0.744 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.385 -2.382 -2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.888 -1.535 -3.154 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.592 0.068 -2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.533 -0.797 -5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.074 0.689 -5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.215 2.077 -3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.798 2.274 -4.840 1.00 0.00 H new ATOM 732 N ILE A 59 -9.624 -1.911 2.914 1.00 0.00 N ATOM 733 CA ILE A 59 -8.523 -2.436 3.661 1.00 0.00 C ATOM 734 C ILE A 59 -8.919 -2.905 5.017 1.00 0.00 C ATOM 735 O ILE A 59 -9.686 -2.248 5.721 1.00 0.00 O ATOM 736 CB ILE A 59 -7.459 -1.391 3.828 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.236 -0.585 2.538 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.149 -2.077 4.252 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.169 0.500 2.673 1.00 0.00 C ATOM 0 H ILE A 59 -9.712 -0.900 3.012 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.151 -3.288 3.092 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.786 -0.689 4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.949 -1.267 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.177 -0.123 2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.369 -1.326 4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.302 -2.601 5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.847 -2.790 3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.065 1.028 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.463 1.205 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.216 0.042 2.940 1.00 0.00 H new ATOM 751 N HIS A 60 -8.395 -4.063 5.456 1.00 0.00 N ATOM 752 CA HIS A 60 -8.520 -4.563 6.790 1.00 0.00 C ATOM 753 C HIS A 60 -7.184 -4.919 7.345 1.00 0.00 C ATOM 754 O HIS A 60 -6.140 -4.610 6.773 1.00 0.00 O ATOM 755 CB HIS A 60 -9.485 -5.762 6.798 1.00 0.00 C ATOM 756 CG HIS A 60 -10.157 -6.080 8.100 1.00 0.00 C ATOM 757 ND1 HIS A 60 -9.663 -7.088 8.903 1.00 0.00 N ATOM 758 CD2 HIS A 60 -11.299 -5.566 8.632 1.00 0.00 C ATOM 759 CE1 HIS A 60 -10.509 -7.173 9.912 1.00 0.00 C ATOM 760 NE2 HIS A 60 -11.524 -6.275 9.794 1.00 0.00 N ATOM 0 H HIS A 60 -7.857 -4.682 4.850 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.934 -3.787 7.434 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.259 -5.580 6.052 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.933 -6.645 6.476 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.904 -4.768 8.228 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.408 -7.870 10.731 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.303 -6.150 10.441 1.00 0.00 H new ATOM 768 N LYS A 61 -7.125 -5.558 8.527 1.00 0.00 N ATOM 769 CA LYS A 61 -5.927 -5.643 9.303 1.00 0.00 C ATOM 770 C LYS A 61 -5.122 -6.879 9.093 1.00 0.00 C ATOM 771 O LYS A 61 -4.480 -7.391 10.009 1.00 0.00 O ATOM 772 CB LYS A 61 -6.213 -5.515 10.809 1.00 0.00 C ATOM 773 CG LYS A 61 -7.056 -4.321 11.260 1.00 0.00 C ATOM 774 CD LYS A 61 -6.562 -3.747 12.589 1.00 0.00 C ATOM 775 CE LYS A 61 -7.588 -2.899 13.343 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.624 -3.748 13.973 1.00 0.00 N ATOM 0 H LYS A 61 -7.926 -6.025 8.952 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.335 -4.802 8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.714 -6.426 11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.258 -5.471 11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.026 -3.545 10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.097 -4.628 11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.250 -4.571 13.231 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.678 -3.139 12.399 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.084 -2.308 14.108 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.059 -2.196 12.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.297 -3.148 14.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.131 -4.281 13.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.173 -4.413 14.633 1.00 0.00 H new ATOM 790 N GLY A 62 -5.070 -7.398 7.853 1.00 0.00 N ATOM 791 CA GLY A 62 -4.260 -8.527 7.514 1.00 0.00 C ATOM 792 C GLY A 62 -3.806 -8.475 6.095 1.00 0.00 C ATOM 793 O GLY A 62 -3.411 -9.484 5.512 1.00 0.00 O ATOM 0 H GLY A 62 -5.603 -7.024 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.392 -8.563 8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.825 -9.444 7.682 1.00 0.00 H new ATOM 797 N ASP A 63 -3.898 -7.286 5.473 1.00 0.00 N ATOM 798 CA ASP A 63 -3.852 -7.143 4.051 1.00 0.00 C ATOM 799 C ASP A 63 -2.467 -6.888 3.561 1.00 0.00 C ATOM 800 O ASP A 63 -1.623 -6.331 4.260 1.00 0.00 O ATOM 801 CB ASP A 63 -4.786 -6.005 3.607 1.00 0.00 C ATOM 802 CG ASP A 63 -6.245 -6.340 3.881 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.568 -7.452 4.377 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.089 -5.468 3.539 1.00 0.00 O ATOM 0 H ASP A 63 -4.007 -6.402 5.971 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.187 -8.083 3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.518 -5.088 4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.649 -5.815 2.542 1.00 0.00 H new ATOM 809 N ARG A 64 -2.195 -7.314 2.314 1.00 0.00 N ATOM 810 CA ARG A 64 -0.906 -7.229 1.702 1.00 0.00 C ATOM 811 C ARG A 64 -0.813 -6.013 0.847 1.00 0.00 C ATOM 812 O ARG A 64 -1.600 -5.805 -0.075 1.00 0.00 O ATOM 813 CB ARG A 64 -0.631 -8.491 0.867 1.00 0.00 C ATOM 814 CG ARG A 64 0.728 -8.533 0.163 1.00 0.00 C ATOM 815 CD ARG A 64 0.985 -9.859 -0.557 1.00 0.00 C ATOM 816 NE ARG A 64 2.306 -9.757 -1.239 1.00 0.00 N ATOM 817 CZ ARG A 64 2.503 -9.832 -2.588 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.492 -9.985 -3.493 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.775 -9.711 -3.069 1.00 0.00 N ATOM 0 H ARG A 64 -2.901 -7.734 1.709 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.153 -7.157 2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.710 -9.361 1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.414 -8.585 0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.783 -7.717 -0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.517 -8.365 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.984 -10.686 0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.195 -10.060 -1.281 1.00 0.00 H new ATOM 0 HE ARG A 64 3.128 -9.620 -0.651 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.526 -10.050 -3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.703 -10.035 -4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.553 -9.568 -2.424 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.948 -9.764 -4.073 1.00 0.00 H new ATOM 833 N VAL A 65 0.200 -5.166 1.107 1.00 0.00 N ATOM 834 CA VAL A 65 0.617 -4.092 0.262 1.00 0.00 C ATOM 835 C VAL A 65 1.629 -4.682 -0.658 1.00 0.00 C ATOM 836 O VAL A 65 2.728 -5.036 -0.234 1.00 0.00 O ATOM 837 CB VAL A 65 1.263 -2.952 0.993 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.284 -1.710 0.085 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.596 -2.644 2.343 1.00 0.00 C ATOM 0 H VAL A 65 0.759 -5.237 1.957 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.261 -3.676 -0.233 1.00 0.00 H new ATOM 0 HB VAL A 65 2.284 -3.249 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.753 -0.880 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.851 -1.930 -0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.263 -1.438 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.110 -1.810 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.449 -2.381 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.654 -3.522 2.986 1.00 0.00 H new ATOM 849 N LEU A 66 1.318 -4.866 -1.954 1.00 0.00 N ATOM 850 CA LEU A 66 2.266 -5.397 -2.882 1.00 0.00 C ATOM 851 C LEU A 66 3.040 -4.325 -3.567 1.00 0.00 C ATOM 852 O LEU A 66 4.245 -4.480 -3.761 1.00 0.00 O ATOM 853 CB LEU A 66 1.689 -6.410 -3.887 1.00 0.00 C ATOM 854 CG LEU A 66 0.460 -5.996 -4.714 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.481 -6.699 -6.081 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.831 -6.369 -3.966 1.00 0.00 C ATOM 0 H LEU A 66 0.408 -4.646 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 66 2.956 -5.973 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.484 -6.677 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.430 -7.314 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 66 0.490 -4.917 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.394 -6.399 -6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.386 -6.418 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.466 -7.779 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.695 -6.071 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.858 -7.446 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.857 -5.854 -3.006 1.00 0.00 H new ATOM 868 N ALA A 67 2.414 -3.197 -3.950 1.00 0.00 N ATOM 869 CA ALA A 67 3.135 -2.199 -4.677 1.00 0.00 C ATOM 870 C ALA A 67 2.687 -0.810 -4.381 1.00 0.00 C ATOM 871 O ALA A 67 1.547 -0.569 -3.989 1.00 0.00 O ATOM 872 CB ALA A 67 3.072 -2.461 -6.191 1.00 0.00 C ATOM 0 H ALA A 67 1.435 -2.979 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 67 4.168 -2.278 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.629 -1.686 -6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.509 -3.435 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.033 -2.448 -6.520 1.00 0.00 H new ATOM 878 N VAL A 68 3.601 0.165 -4.535 1.00 0.00 N ATOM 879 CA VAL A 68 3.357 1.536 -4.211 1.00 0.00 C ATOM 880 C VAL A 68 3.817 2.443 -5.300 1.00 0.00 C ATOM 881 O VAL A 68 5.010 2.466 -5.598 1.00 0.00 O ATOM 882 CB VAL A 68 4.037 1.962 -2.944 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.485 3.333 -2.515 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.787 0.925 -1.836 1.00 0.00 C ATOM 0 H VAL A 68 4.539 -0.006 -4.896 1.00 0.00 H new ATOM 0 HA VAL A 68 2.278 1.613 -4.081 1.00 0.00 H new ATOM 0 HB VAL A 68 5.111 2.036 -3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.974 3.650 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.678 4.065 -3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.411 3.256 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.285 1.244 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.716 0.837 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.183 -0.042 -2.147 1.00 0.00 H new ATOM 894 N ASN A 69 2.933 3.228 -5.941 1.00 0.00 N ATOM 895 CA ASN A 69 3.243 4.033 -7.082 1.00 0.00 C ATOM 896 C ASN A 69 3.692 3.205 -8.239 1.00 0.00 C ATOM 897 O ASN A 69 4.500 3.610 -9.073 1.00 0.00 O ATOM 898 CB ASN A 69 4.218 5.154 -6.688 1.00 0.00 C ATOM 899 CG ASN A 69 4.277 6.341 -7.640 1.00 0.00 C ATOM 900 OD1 ASN A 69 3.533 6.485 -8.609 1.00 0.00 O ATOM 901 ND2 ASN A 69 5.224 7.267 -7.336 1.00 0.00 N ATOM 0 H ASN A 69 1.958 3.305 -5.651 1.00 0.00 H new ATOM 0 HA ASN A 69 2.335 4.524 -7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.943 5.519 -5.698 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.218 4.728 -6.605 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.328 8.100 -7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.831 7.129 -6.528 1.00 0.00 H new ATOM 908 N GLY A 70 3.194 1.958 -8.320 1.00 0.00 N ATOM 909 CA GLY A 70 3.636 0.967 -9.250 1.00 0.00 C ATOM 910 C GLY A 70 4.891 0.256 -8.874 1.00 0.00 C ATOM 911 O GLY A 70 5.399 -0.552 -9.649 1.00 0.00 O ATOM 0 H GLY A 70 2.448 1.626 -7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.843 0.229 -9.374 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.784 1.442 -10.220 1.00 0.00 H new ATOM 915 N VAL A 71 5.451 0.524 -7.681 1.00 0.00 N ATOM 916 CA VAL A 71 6.727 0.032 -7.264 1.00 0.00 C ATOM 917 C VAL A 71 6.501 -1.065 -6.281 1.00 0.00 C ATOM 918 O VAL A 71 6.088 -0.843 -5.144 1.00 0.00 O ATOM 919 CB VAL A 71 7.646 1.037 -6.634 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.038 0.418 -6.427 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.775 2.273 -7.541 1.00 0.00 C ATOM 0 H VAL A 71 4.996 1.107 -6.979 1.00 0.00 H new ATOM 0 HA VAL A 71 7.227 -0.290 -8.177 1.00 0.00 H new ATOM 0 HB VAL A 71 7.231 1.333 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.699 1.154 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.956 -0.452 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.447 0.112 -7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.444 2.997 -7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.180 1.974 -8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.793 2.725 -7.682 1.00 0.00 H new ATOM 931 N SER A 72 6.747 -2.320 -6.701 1.00 0.00 N ATOM 932 CA SER A 72 6.543 -3.486 -5.898 1.00 0.00 C ATOM 933 C SER A 72 7.522 -3.613 -4.783 1.00 0.00 C ATOM 934 O SER A 72 8.722 -3.405 -4.948 1.00 0.00 O ATOM 935 CB SER A 72 6.578 -4.788 -6.716 1.00 0.00 C ATOM 936 OG SER A 72 5.613 -4.734 -7.756 1.00 0.00 O ATOM 0 H SER A 72 7.101 -2.530 -7.634 1.00 0.00 H new ATOM 0 HA SER A 72 5.546 -3.345 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.572 -4.935 -7.138 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.378 -5.641 -6.067 1.00 0.00 H new ATOM 0 HG SER A 72 5.643 -5.566 -8.273 1.00 0.00 H new ATOM 942 N LEU A 73 7.039 -4.012 -3.593 1.00 0.00 N ATOM 943 CA LEU A 73 7.787 -4.163 -2.383 1.00 0.00 C ATOM 944 C LEU A 73 8.475 -5.483 -2.321 1.00 0.00 C ATOM 945 O LEU A 73 8.643 -6.100 -1.270 1.00 0.00 O ATOM 946 CB LEU A 73 6.813 -4.003 -1.204 1.00 0.00 C ATOM 947 CG LEU A 73 6.301 -2.564 -1.015 1.00 0.00 C ATOM 948 CD1 LEU A 73 4.960 -2.567 -0.263 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.307 -1.701 -0.234 1.00 0.00 C ATOM 0 H LEU A 73 6.054 -4.246 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 73 8.567 -3.403 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.961 -4.665 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.309 -4.326 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 73 6.171 -2.136 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.611 -1.542 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.224 -3.133 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.093 -3.028 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.910 -0.692 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.474 -2.138 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.251 -1.661 -0.778 1.00 0.00 H new ATOM 961 N GLU A 74 8.982 -5.938 -3.480 1.00 0.00 N ATOM 962 CA GLU A 74 9.501 -7.248 -3.730 1.00 0.00 C ATOM 963 C GLU A 74 10.928 -7.326 -3.308 1.00 0.00 C ATOM 964 O GLU A 74 11.853 -7.266 -4.115 1.00 0.00 O ATOM 965 CB GLU A 74 9.329 -7.564 -5.226 1.00 0.00 C ATOM 966 CG GLU A 74 9.150 -9.052 -5.538 1.00 0.00 C ATOM 967 CD GLU A 74 7.731 -9.500 -5.214 1.00 0.00 C ATOM 968 OE1 GLU A 74 7.432 -9.804 -4.029 1.00 0.00 O ATOM 969 OE2 GLU A 74 6.889 -9.548 -6.150 1.00 0.00 O ATOM 0 H GLU A 74 9.033 -5.343 -4.307 1.00 0.00 H new ATOM 0 HA GLU A 74 8.955 -7.991 -3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.464 -7.019 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.200 -7.193 -5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.364 -9.237 -6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.864 -9.639 -4.960 1.00 0.00 H new ATOM 976 N GLY A 75 11.156 -7.379 -1.983 1.00 0.00 N ATOM 977 CA GLY A 75 12.448 -7.253 -1.385 1.00 0.00 C ATOM 978 C GLY A 75 12.534 -6.122 -0.418 1.00 0.00 C ATOM 979 O GLY A 75 13.623 -5.795 0.051 1.00 0.00 O ATOM 0 H GLY A 75 10.409 -7.515 -1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.697 -8.182 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.193 -7.112 -2.168 1.00 0.00 H new ATOM 983 N ALA A 76 11.408 -5.483 -0.056 1.00 0.00 N ATOM 984 CA ALA A 76 11.390 -4.420 0.899 1.00 0.00 C ATOM 985 C ALA A 76 11.346 -4.905 2.308 1.00 0.00 C ATOM 986 O ALA A 76 10.676 -5.879 2.647 1.00 0.00 O ATOM 987 CB ALA A 76 10.212 -3.462 0.648 1.00 0.00 C ATOM 0 H ALA A 76 10.489 -5.710 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 76 12.329 -3.884 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.227 -2.665 1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.300 -3.030 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.274 -4.011 0.724 1.00 0.00 H new ATOM 993 N THR A 77 12.090 -4.235 3.205 1.00 0.00 N ATOM 994 CA THR A 77 12.223 -4.532 4.597 1.00 0.00 C ATOM 995 C THR A 77 11.212 -3.764 5.379 1.00 0.00 C ATOM 996 O THR A 77 10.239 -3.251 4.828 1.00 0.00 O ATOM 997 CB THR A 77 13.591 -4.197 5.113 1.00 0.00 C ATOM 998 OG1 THR A 77 13.923 -2.827 4.951 1.00 0.00 O ATOM 999 CG2 THR A 77 14.652 -4.962 4.303 1.00 0.00 C ATOM 0 H THR A 77 12.642 -3.421 2.934 1.00 0.00 H new ATOM 0 HA THR A 77 12.063 -5.604 4.716 1.00 0.00 H new ATOM 0 HB THR A 77 13.579 -4.460 6.171 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.822 -2.664 5.305 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.645 -4.716 4.680 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.481 -6.034 4.401 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.583 -4.678 3.253 1.00 0.00 H new ATOM 1007 N HIS A 78 11.407 -3.591 6.697 1.00 0.00 N ATOM 1008 CA HIS A 78 10.659 -2.630 7.446 1.00 0.00 C ATOM 1009 C HIS A 78 10.988 -1.239 7.024 1.00 0.00 C ATOM 1010 O HIS A 78 10.102 -0.479 6.636 1.00 0.00 O ATOM 1011 CB HIS A 78 10.885 -2.746 8.963 1.00 0.00 C ATOM 1012 CG HIS A 78 10.415 -1.600 9.809 1.00 0.00 C ATOM 1013 ND1 HIS A 78 11.155 -1.146 10.869 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.320 -0.797 9.731 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.526 -0.135 11.440 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.420 0.102 10.760 1.00 0.00 N ATOM 0 H HIS A 78 12.085 -4.119 7.247 1.00 0.00 H new ATOM 0 HA HIS A 78 9.612 -2.848 7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.388 -3.651 9.312 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.952 -2.881 9.138 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.527 -0.856 9.001 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.859 0.405 12.314 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.746 0.839 10.968 1.00 0.00 H new ATOM 1025 N LYS A 79 12.273 -0.846 7.078 1.00 0.00 N ATOM 1026 CA LYS A 79 12.687 0.485 6.753 1.00 0.00 C ATOM 1027 C LYS A 79 12.552 0.790 5.301 1.00 0.00 C ATOM 1028 O LYS A 79 12.111 1.878 4.936 1.00 0.00 O ATOM 1029 CB LYS A 79 14.100 0.780 7.284 1.00 0.00 C ATOM 1030 CG LYS A 79 14.457 2.268 7.264 1.00 0.00 C ATOM 1031 CD LYS A 79 15.576 2.630 8.242 1.00 0.00 C ATOM 1032 CE LYS A 79 15.810 4.139 8.329 1.00 0.00 C ATOM 1033 NZ LYS A 79 16.746 4.472 9.425 1.00 0.00 N ATOM 0 H LYS A 79 13.038 -1.462 7.352 1.00 0.00 H new ATOM 0 HA LYS A 79 12.003 1.162 7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.182 0.408 8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.827 0.231 6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.759 2.549 6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.569 2.852 7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.328 2.246 9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.499 2.139 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.210 4.503 7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.860 4.648 8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.886 5.502 9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.352 4.145 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.659 4.004 9.256 1.00 0.00 H new ATOM 1047 N GLN A 80 12.849 -0.164 4.401 1.00 0.00 N ATOM 1048 CA GLN A 80 12.639 0.026 2.999 1.00 0.00 C ATOM 1049 C GLN A 80 11.211 0.157 2.595 1.00 0.00 C ATOM 1050 O GLN A 80 10.886 0.968 1.729 1.00 0.00 O ATOM 1051 CB GLN A 80 13.340 -1.096 2.213 1.00 0.00 C ATOM 1052 CG GLN A 80 13.777 -0.602 0.833 1.00 0.00 C ATOM 1053 CD GLN A 80 14.710 -1.591 0.147 1.00 0.00 C ATOM 1054 OE1 GLN A 80 15.863 -1.742 0.548 1.00 0.00 O ATOM 1055 NE2 GLN A 80 14.214 -2.276 -0.917 1.00 0.00 N ATOM 0 H GLN A 80 13.238 -1.074 4.647 1.00 0.00 H new ATOM 0 HA GLN A 80 13.083 0.990 2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.208 -1.448 2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.666 -1.945 2.103 1.00 0.00 H new ATOM 0 HG2 GLN A 80 12.898 -0.440 0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.278 0.361 0.934 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.252 -2.122 -1.219 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.804 -2.944 -1.414 1.00 0.00 H new ATOM 1064 N ALA A 81 10.263 -0.573 3.210 1.00 0.00 N ATOM 1065 CA ALA A 81 8.872 -0.350 2.967 1.00 0.00 C ATOM 1066 C ALA A 81 8.387 0.986 3.414 1.00 0.00 C ATOM 1067 O ALA A 81 7.643 1.654 2.696 1.00 0.00 O ATOM 1068 CB ALA A 81 8.017 -1.417 3.670 1.00 0.00 C ATOM 0 H ALA A 81 10.461 -1.319 3.877 1.00 0.00 H new ATOM 0 HA ALA A 81 8.765 -0.405 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.962 -1.227 3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.285 -2.404 3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.196 -1.377 4.744 1.00 0.00 H new ATOM 1074 N VAL A 82 8.838 1.450 4.594 1.00 0.00 N ATOM 1075 CA VAL A 82 8.558 2.750 5.119 1.00 0.00 C ATOM 1076 C VAL A 82 8.969 3.831 4.178 1.00 0.00 C ATOM 1077 O VAL A 82 8.177 4.723 3.879 1.00 0.00 O ATOM 1078 CB VAL A 82 9.167 2.930 6.478 1.00 0.00 C ATOM 1079 CG1 VAL A 82 9.216 4.393 6.948 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.339 2.107 7.480 1.00 0.00 C ATOM 0 H VAL A 82 9.427 0.891 5.211 1.00 0.00 H new ATOM 0 HA VAL A 82 7.477 2.829 5.233 1.00 0.00 H new ATOM 0 HB VAL A 82 10.202 2.593 6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.669 4.442 7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.810 4.980 6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.204 4.795 6.992 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.760 2.219 8.479 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.308 2.462 7.479 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.361 1.056 7.193 1.00 0.00 H new ATOM 1090 N GLU A 83 10.203 3.820 3.643 1.00 0.00 N ATOM 1091 CA GLU A 83 10.618 4.787 2.675 1.00 0.00 C ATOM 1092 C GLU A 83 9.857 4.730 1.396 1.00 0.00 C ATOM 1093 O GLU A 83 9.522 5.765 0.821 1.00 0.00 O ATOM 1094 CB GLU A 83 12.114 4.672 2.332 1.00 0.00 C ATOM 1095 CG GLU A 83 13.051 4.926 3.514 1.00 0.00 C ATOM 1096 CD GLU A 83 14.509 4.921 3.078 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.941 3.976 2.365 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.263 5.858 3.456 1.00 0.00 O ATOM 0 H GLU A 83 10.919 3.135 3.884 1.00 0.00 H new ATOM 0 HA GLU A 83 10.412 5.739 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.309 3.675 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.349 5.381 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.810 5.885 3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.895 4.161 4.275 1.00 0.00 H new ATOM 1105 N THR A 84 9.502 3.528 0.908 1.00 0.00 N ATOM 1106 CA THR A 84 8.786 3.285 -0.305 1.00 0.00 C ATOM 1107 C THR A 84 7.386 3.792 -0.272 1.00 0.00 C ATOM 1108 O THR A 84 6.818 4.131 -1.310 1.00 0.00 O ATOM 1109 CB THR A 84 8.856 1.828 -0.656 1.00 0.00 C ATOM 1110 OG1 THR A 84 10.214 1.445 -0.824 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.165 1.424 -1.969 1.00 0.00 C ATOM 0 H THR A 84 9.733 2.664 1.398 1.00 0.00 H new ATOM 0 HA THR A 84 9.273 3.857 -1.095 1.00 0.00 H new ATOM 0 HB THR A 84 8.342 1.337 0.170 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.545 1.041 0.005 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.277 0.351 -2.124 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.105 1.674 -1.914 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.622 1.960 -2.801 1.00 0.00 H new ATOM 1119 N LEU A 85 6.784 3.930 0.922 1.00 0.00 N ATOM 1120 CA LEU A 85 5.536 4.595 1.136 1.00 0.00 C ATOM 1121 C LEU A 85 5.665 6.044 1.457 1.00 0.00 C ATOM 1122 O LEU A 85 4.987 6.877 0.858 1.00 0.00 O ATOM 1123 CB LEU A 85 4.825 3.927 2.324 1.00 0.00 C ATOM 1124 CG LEU A 85 4.400 2.475 2.048 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.231 1.690 3.360 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.075 2.401 1.272 1.00 0.00 C ATOM 0 H LEU A 85 7.188 3.559 1.782 1.00 0.00 H new ATOM 0 HA LEU A 85 4.982 4.513 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.487 3.945 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.943 4.512 2.585 1.00 0.00 H new ATOM 0 HG LEU A 85 5.194 2.034 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.930 0.667 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.177 1.680 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.466 2.167 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.813 1.357 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.287 2.882 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.185 2.911 0.315 1.00 0.00 H new ATOM 1138 N ARG A 86 6.568 6.442 2.371 1.00 0.00 N ATOM 1139 CA ARG A 86 6.634 7.768 2.902 1.00 0.00 C ATOM 1140 C ARG A 86 7.422 8.741 2.094 1.00 0.00 C ATOM 1141 O ARG A 86 7.057 9.912 2.007 1.00 0.00 O ATOM 1142 CB ARG A 86 6.946 7.731 4.409 1.00 0.00 C ATOM 1143 CG ARG A 86 8.048 8.621 4.987 1.00 0.00 C ATOM 1144 CD ARG A 86 9.424 8.005 4.728 1.00 0.00 C ATOM 1145 NE ARG A 86 10.481 8.884 5.305 1.00 0.00 N ATOM 1146 CZ ARG A 86 11.194 8.567 6.424 1.00 0.00 C ATOM 1147 NH1 ARG A 86 10.806 7.611 7.318 1.00 0.00 N ATOM 1148 NH2 ARG A 86 12.359 9.232 6.681 1.00 0.00 N ATOM 0 H ARG A 86 7.278 5.818 2.754 1.00 0.00 H new ATOM 0 HA ARG A 86 5.638 8.202 2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.024 7.974 4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.196 6.701 4.663 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.996 9.613 4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.896 8.749 6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.479 7.012 5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.583 7.883 3.657 1.00 0.00 H new ATOM 0 HE ARG A 86 10.682 9.769 4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.942 7.091 7.166 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.380 7.417 8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.686 9.955 6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.902 9.005 7.514 1.00 0.00 H new ATOM 1162 N ASN A 87 8.503 8.323 1.411 1.00 0.00 N ATOM 1163 CA ASN A 87 9.386 9.193 0.698 1.00 0.00 C ATOM 1164 C ASN A 87 8.958 9.343 -0.722 1.00 0.00 C ATOM 1165 O ASN A 87 9.750 9.475 -1.653 1.00 0.00 O ATOM 1166 CB ASN A 87 10.835 8.685 0.790 1.00 0.00 C ATOM 1167 CG ASN A 87 11.839 9.824 0.687 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.914 10.688 1.559 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.664 9.827 -0.394 1.00 0.00 N ATOM 0 H ASN A 87 8.772 7.341 1.353 1.00 0.00 H new ATOM 0 HA ASN A 87 9.342 10.179 1.162 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.977 8.159 1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.019 7.964 -0.007 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.367 10.559 -0.497 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.579 9.098 -1.102 1.00 0.00 H new ATOM 1176 N THR A 88 7.628 9.319 -0.915 1.00 0.00 N ATOM 1177 CA THR A 88 6.905 9.487 -2.138 1.00 0.00 C ATOM 1178 C THR A 88 6.617 10.929 -2.378 1.00 0.00 C ATOM 1179 O THR A 88 7.202 11.809 -1.749 1.00 0.00 O ATOM 1180 CB THR A 88 5.646 8.674 -2.077 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.938 8.938 -0.875 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.041 7.187 -2.056 1.00 0.00 C ATOM 0 H THR A 88 6.994 9.166 -0.130 1.00 0.00 H new ATOM 0 HA THR A 88 7.507 9.135 -2.976 1.00 0.00 H new ATOM 0 HB THR A 88 5.021 8.923 -2.934 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.880 8.117 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.142 6.572 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.601 6.946 -2.960 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.660 6.987 -1.182 1.00 0.00 H new ATOM 1190 N GLY A 89 5.713 11.261 -3.318 1.00 0.00 N ATOM 1191 CA GLY A 89 5.229 12.595 -3.495 1.00 0.00 C ATOM 1192 C GLY A 89 3.968 12.789 -2.727 1.00 0.00 C ATOM 1193 O GLY A 89 3.910 12.552 -1.521 1.00 0.00 O ATOM 0 H GLY A 89 5.310 10.587 -3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.981 13.310 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.053 12.789 -4.553 1.00 0.00 H new ATOM 1197 N GLN A 90 2.885 13.205 -3.408 1.00 0.00 N ATOM 1198 CA GLN A 90 1.603 13.371 -2.798 1.00 0.00 C ATOM 1199 C GLN A 90 0.754 12.177 -3.074 1.00 0.00 C ATOM 1200 O GLN A 90 0.197 11.578 -2.156 1.00 0.00 O ATOM 1201 CB GLN A 90 0.907 14.656 -3.279 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.489 14.836 -2.678 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.883 16.306 -2.675 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -1.164 16.914 -3.707 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.878 16.910 -1.458 1.00 0.00 N ATOM 0 H GLN A 90 2.901 13.431 -4.403 1.00 0.00 H new ATOM 0 HA GLN A 90 1.748 13.466 -1.722 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.523 15.517 -3.019 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.830 14.637 -4.366 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.215 14.260 -3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.506 14.447 -1.660 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.640 16.374 -0.624 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.112 17.900 -1.379 1.00 0.00 H new ATOM 1214 N VAL A 91 0.653 11.769 -4.351 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.083 10.597 -4.713 1.00 0.00 C ATOM 1216 C VAL A 91 0.705 9.367 -4.421 1.00 0.00 C ATOM 1217 O VAL A 91 1.821 9.153 -4.894 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.576 10.564 -6.130 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.178 9.199 -6.503 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.650 11.656 -6.268 1.00 0.00 C ATOM 0 H VAL A 91 1.084 12.254 -5.138 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.979 10.633 -4.093 1.00 0.00 H new ATOM 0 HB VAL A 91 0.263 10.735 -6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.521 9.223 -7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.420 8.424 -6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.020 8.981 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.033 11.662 -7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.466 11.453 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.213 12.628 -6.039 1.00 0.00 H new ATOM 1230 N VAL A 92 0.089 8.488 -3.610 1.00 0.00 N ATOM 1231 CA VAL A 92 0.519 7.139 -3.406 1.00 0.00 C ATOM 1232 C VAL A 92 -0.547 6.253 -3.955 1.00 0.00 C ATOM 1233 O VAL A 92 -1.657 6.167 -3.434 1.00 0.00 O ATOM 1234 CB VAL A 92 0.775 6.883 -1.951 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.730 5.382 -1.621 1.00 0.00 C ATOM 1236 CG2 VAL A 92 2.168 7.448 -1.625 1.00 0.00 C ATOM 0 H VAL A 92 -0.745 8.728 -3.073 1.00 0.00 H new ATOM 0 HA VAL A 92 1.461 6.941 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 92 0.000 7.364 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.920 5.237 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.253 4.984 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.491 4.859 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.391 7.280 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.917 6.947 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.185 8.518 -1.834 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.235 5.533 -5.048 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.040 4.438 -5.494 1.00 0.00 C ATOM 1248 C HIS A 93 -0.734 3.256 -4.640 1.00 0.00 C ATOM 1249 O HIS A 93 0.402 2.784 -4.660 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.815 4.030 -6.960 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.370 5.032 -7.928 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.740 6.244 -8.124 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.524 4.974 -8.647 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -1.522 6.911 -8.951 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -2.614 6.182 -9.307 1.00 0.00 N ATOM 0 H HIS A 93 0.584 5.712 -5.628 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.075 4.770 -5.417 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.253 3.909 -7.140 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.280 3.061 -7.139 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.224 4.153 -8.692 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.320 7.912 -9.302 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.358 6.473 -9.941 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.707 2.747 -3.864 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.544 1.593 -3.035 1.00 0.00 C ATOM 1265 C LEU A 94 -2.110 0.420 -3.758 1.00 0.00 C ATOM 1266 O LEU A 94 -3.320 0.291 -3.935 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.260 1.731 -1.680 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.536 2.497 -0.559 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.036 2.023 0.815 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.013 2.288 -0.570 1.00 0.00 C ATOM 0 H LEU A 94 -2.641 3.153 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.480 1.472 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.217 2.221 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.478 0.728 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.754 3.550 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.517 2.572 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.108 2.203 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.838 0.957 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.438 2.855 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.210 1.229 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.395 2.632 -1.520 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.228 -0.493 -4.203 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.613 -1.754 -4.757 1.00 0.00 C ATOM 1284 C LEU A 95 -1.744 -2.733 -3.641 1.00 0.00 C ATOM 1285 O LEU A 95 -0.755 -3.235 -3.110 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.578 -2.212 -5.798 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.217 -2.770 -7.081 1.00 0.00 C ATOM 1288 CD1 LEU A 95 -0.109 -3.273 -8.022 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.245 -3.880 -6.806 1.00 0.00 C ATOM 0 H LEU A 95 -0.218 -0.350 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.570 -1.672 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.065 -1.371 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.060 -2.977 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.769 -1.959 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.557 -3.670 -8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.556 -2.447 -8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.460 -4.059 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.661 -4.233 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.757 -4.708 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.047 -3.487 -6.181 1.00 0.00 H new ATOM 1301 N LEU A 96 -3.004 -2.958 -3.227 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.399 -3.751 -2.104 1.00 0.00 C ATOM 1303 C LEU A 96 -4.011 -5.029 -2.566 1.00 0.00 C ATOM 1304 O LEU A 96 -4.716 -5.075 -3.573 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.423 -2.981 -1.252 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.819 -1.815 -0.453 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.787 -0.621 -0.396 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.418 -2.257 0.965 1.00 0.00 C ATOM 0 H LEU A 96 -3.805 -2.555 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.515 -3.969 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.206 -2.594 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.899 -3.675 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.916 -1.495 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.333 0.189 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.999 -0.276 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.716 -0.928 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.994 -1.410 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.298 -2.621 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.677 -3.054 0.902 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.744 -6.126 -1.836 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.267 -7.436 -2.066 1.00 0.00 C ATOM 1322 C GLU A 97 -4.999 -7.900 -0.853 1.00 0.00 C ATOM 1323 O GLU A 97 -4.701 -7.506 0.273 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.117 -8.394 -2.421 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.408 -9.895 -2.437 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.229 -10.777 -2.822 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.156 -10.273 -3.250 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.387 -12.022 -2.703 1.00 0.00 O ATOM 0 H GLU A 97 -3.120 -6.094 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.966 -7.416 -2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.744 -8.116 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.307 -8.219 -1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.757 -10.192 -1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.225 -10.084 -3.133 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.005 -8.771 -1.047 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.761 -9.425 -0.024 1.00 0.00 C ATOM 1337 C LYS A 98 -5.976 -10.125 1.030 1.00 0.00 C ATOM 1338 O LYS A 98 -5.153 -11.002 0.770 1.00 0.00 O ATOM 1339 CB LYS A 98 -7.881 -10.310 -0.598 1.00 0.00 C ATOM 1340 CG LYS A 98 -7.535 -11.745 -0.998 1.00 0.00 C ATOM 1341 CD LYS A 98 -6.466 -11.870 -2.086 1.00 0.00 C ATOM 1342 CE LYS A 98 -5.812 -13.252 -2.116 1.00 0.00 C ATOM 1343 NZ LYS A 98 -4.701 -13.328 -3.091 1.00 0.00 N ATOM 0 H LYS A 98 -6.311 -9.036 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.223 -8.596 0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.682 -10.354 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.285 -9.808 -1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.196 -12.282 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.443 -12.240 -1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.916 -11.665 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.699 -11.113 -1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.437 -13.495 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.563 -14.001 -2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.526 -14.322 -3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.954 -12.795 -3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.842 -12.920 -2.671 1.00 0.00 H new ATOM 1357 N GLY A 99 -6.197 -9.774 2.310 1.00 0.00 N ATOM 1358 CA GLY A 99 -5.645 -10.488 3.419 1.00 0.00 C ATOM 1359 C GLY A 99 -6.538 -11.571 3.922 1.00 0.00 C ATOM 1360 O GLY A 99 -6.907 -11.588 5.095 1.00 0.00 O ATOM 0 H GLY A 99 -6.772 -8.976 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.689 -10.921 3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.442 -9.788 4.229 1.00 0.00 H new ATOM 1364 N GLN A 100 -6.907 -12.521 3.044 1.00 0.00 N ATOM 1365 CA GLN A 100 -7.713 -13.647 3.398 1.00 0.00 C ATOM 1366 C GLN A 100 -7.390 -14.785 2.493 1.00 0.00 C ATOM 1367 O GLN A 100 -6.949 -14.595 1.361 1.00 0.00 O ATOM 1368 CB GLN A 100 -9.209 -13.293 3.378 1.00 0.00 C ATOM 1369 CG GLN A 100 -10.090 -14.256 4.176 1.00 0.00 C ATOM 1370 CD GLN A 100 -11.519 -13.745 4.295 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -11.763 -12.587 4.626 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -12.507 -14.641 4.032 1.00 0.00 N ATOM 0 H GLN A 100 -6.637 -12.505 2.061 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.486 -13.946 4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.338 -12.286 3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.553 -13.275 2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.092 -15.233 3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.669 -14.394 5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.271 -15.595 3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.484 -14.359 4.107 1.00 0.00 H new ATOM 1381 N VAL A 101 -7.553 -16.030 2.979 1.00 0.00 N ATOM 1382 CA VAL A 101 -7.259 -17.236 2.270 1.00 0.00 C ATOM 1383 C VAL A 101 -8.390 -17.645 1.390 1.00 0.00 C ATOM 1384 O VAL A 101 -9.516 -17.238 1.676 1.00 0.00 O ATOM 1385 CB VAL A 101 -6.889 -18.333 3.224 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -5.513 -18.021 3.834 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -7.946 -18.511 4.328 1.00 0.00 C ATOM 0 H VAL A 101 -7.910 -16.203 3.919 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.403 -17.043 1.624 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.845 -19.273 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.235 -18.813 4.529 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.769 -17.958 3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.558 -17.071 4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.641 -19.315 4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.041 -17.584 4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.906 -18.761 3.876 1.00 0.00 H new ATOM 1397 N PRO A 102 -8.220 -18.388 0.338 1.00 0.00 N ATOM 1398 CA PRO A 102 -9.288 -18.692 -0.570 1.00 0.00 C ATOM 1399 C PRO A 102 -10.391 -19.524 -0.013 1.00 0.00 C ATOM 1400 O PRO A 102 -11.582 -19.191 -0.255 1.00 0.00 O ATOM 1401 CB PRO A 102 -8.631 -19.443 -1.726 1.00 0.00 C ATOM 1402 CG PRO A 102 -7.202 -18.876 -1.750 1.00 0.00 C ATOM 1403 CD PRO A 102 -6.926 -18.698 -0.250 1.00 0.00 C ATOM 1404 OXT PRO A 102 -10.140 -20.565 0.651 1.00 0.00 O ATOM 0 HA PRO A 102 -9.773 -17.756 -0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.634 -20.520 -1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.150 -19.265 -2.668 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.496 -19.560 -2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.142 -17.933 -2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.503 -19.604 0.183 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.210 -17.895 -0.073 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 10.991 -2.736 16.965 1.00 0.00 N ATOM 1414 CA TYR B 205 11.150 -1.635 16.068 1.00 0.00 C ATOM 1415 C TYR B 205 10.467 -1.957 14.783 1.00 0.00 C ATOM 1416 O TYR B 205 11.078 -2.265 13.761 1.00 0.00 O ATOM 1417 CB TYR B 205 12.639 -1.294 15.885 1.00 0.00 C ATOM 1418 CG TYR B 205 12.828 0.050 15.270 1.00 0.00 C ATOM 1419 CD1 TYR B 205 12.549 1.182 15.996 1.00 0.00 C ATOM 1420 CD2 TYR B 205 13.291 0.175 13.981 1.00 0.00 C ATOM 1421 CE1 TYR B 205 12.726 2.429 15.441 1.00 0.00 C ATOM 1422 CE2 TYR B 205 13.458 1.418 13.418 1.00 0.00 C ATOM 1423 CZ TYR B 205 13.176 2.549 14.147 1.00 0.00 C ATOM 1424 OH TYR B 205 13.354 3.829 13.580 1.00 0.00 O ATOM 0 HA TYR B 205 10.684 -0.740 16.481 1.00 0.00 H new ATOM 0 HB2 TYR B 205 13.140 -1.325 16.852 1.00 0.00 H new ATOM 0 HB3 TYR B 205 13.111 -2.050 15.257 1.00 0.00 H new ATOM 0 HD1 TYR B 205 12.188 1.093 17.010 1.00 0.00 H new ATOM 0 HD2 TYR B 205 13.525 -0.709 13.407 1.00 0.00 H new ATOM 0 HE1 TYR B 205 12.511 3.314 16.022 1.00 0.00 H new ATOM 0 HE2 TYR B 205 13.811 1.506 12.401 1.00 0.00 H new ATOM 0 HH TYR B 205 13.678 3.737 12.660 1.00 0.00 H new ATOM 1434 N LEU B 206 9.123 -1.904 14.801 1.00 0.00 N ATOM 1435 CA LEU B 206 8.284 -2.161 13.672 1.00 0.00 C ATOM 1436 C LEU B 206 7.163 -1.182 13.736 1.00 0.00 C ATOM 1437 O LEU B 206 7.188 -0.265 14.556 1.00 0.00 O ATOM 1438 CB LEU B 206 7.779 -3.612 13.740 1.00 0.00 C ATOM 1439 CG LEU B 206 7.109 -4.220 12.495 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.986 -4.046 11.243 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.925 -5.724 12.756 1.00 0.00 C ATOM 0 H LEU B 206 8.597 -1.671 15.643 1.00 0.00 H new ATOM 0 HA LEU B 206 8.816 -2.046 12.728 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.627 -4.245 14.002 1.00 0.00 H new ATOM 0 HB3 LEU B 206 7.067 -3.676 14.563 1.00 0.00 H new ATOM 0 HG LEU B 206 6.159 -3.716 12.318 1.00 0.00 H new ATOM 0 HD11 LEU B 206 7.483 -4.487 10.382 1.00 0.00 H new ATOM 0 HD12 LEU B 206 8.154 -2.984 11.061 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.943 -4.544 11.397 1.00 0.00 H new ATOM 0 HD21 LEU B 206 6.451 -6.188 11.891 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.898 -6.185 12.928 1.00 0.00 H new ATOM 0 HD23 LEU B 206 6.296 -5.867 13.634 1.00 0.00 H new ATOM 1453 N VAL B 207 6.123 -1.338 12.897 1.00 0.00 N ATOM 1454 CA VAL B 207 4.878 -0.636 12.926 1.00 0.00 C ATOM 1455 C VAL B 207 4.991 0.850 12.946 1.00 0.00 C ATOM 1456 O VAL B 207 5.036 1.519 13.976 1.00 0.00 O ATOM 1457 CB VAL B 207 3.793 -1.195 13.798 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.156 -2.380 13.053 1.00 0.00 C ATOM 1459 CG2 VAL B 207 4.295 -1.615 15.190 1.00 0.00 C ATOM 0 H VAL B 207 6.159 -2.014 12.134 1.00 0.00 H new ATOM 0 HA VAL B 207 4.492 -0.866 11.933 1.00 0.00 H new ATOM 0 HB VAL B 207 3.055 -0.415 13.985 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.361 -2.809 13.663 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.740 -2.034 12.107 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.915 -3.139 12.860 1.00 0.00 H new ATOM 0 HG21 VAL B 207 3.463 -2.011 15.773 1.00 0.00 H new ATOM 0 HG22 VAL B 207 5.062 -2.382 15.084 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.716 -0.749 15.701 1.00 0.00 H new ATOM 1469 N THR B 208 5.046 1.412 11.725 1.00 0.00 N ATOM 1470 CA THR B 208 5.382 2.782 11.489 1.00 0.00 C ATOM 1471 C THR B 208 4.245 3.275 10.661 1.00 0.00 C ATOM 1472 O THR B 208 3.996 2.720 9.592 1.00 0.00 O ATOM 1473 CB THR B 208 6.653 2.941 10.708 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.731 2.282 11.357 1.00 0.00 O ATOM 1475 CG2 THR B 208 7.040 4.422 10.563 1.00 0.00 C ATOM 0 H THR B 208 4.849 0.892 10.870 1.00 0.00 H new ATOM 0 HA THR B 208 5.537 3.318 12.426 1.00 0.00 H new ATOM 0 HB THR B 208 6.471 2.504 9.726 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.576 2.709 11.103 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.965 4.502 9.992 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.245 4.956 10.043 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.184 4.859 11.551 1.00 0.00 H new ATOM 1483 N SER B 209 3.494 4.269 11.170 1.00 0.00 N ATOM 1484 CA SER B 209 2.363 4.845 10.512 1.00 0.00 C ATOM 1485 C SER B 209 2.808 5.823 9.480 1.00 0.00 C ATOM 1486 O SER B 209 3.503 6.786 9.799 1.00 0.00 O ATOM 1487 CB SER B 209 1.400 5.523 11.502 1.00 0.00 C ATOM 1488 OG SER B 209 2.071 6.394 12.402 1.00 0.00 O ATOM 0 H SER B 209 3.684 4.689 12.080 1.00 0.00 H new ATOM 0 HA SER B 209 1.820 4.032 10.031 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.650 6.087 10.947 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.869 4.758 12.069 1.00 0.00 H new ATOM 0 HG SER B 209 2.802 6.849 11.934 1.00 0.00 H new ATOM 1494 N VAL B 210 2.442 5.592 8.206 1.00 0.00 N ATOM 1495 CA VAL B 210 2.937 6.273 7.050 1.00 0.00 C ATOM 1496 C VAL B 210 1.746 6.272 6.102 1.00 0.00 C ATOM 1497 O VAL B 210 0.675 5.691 6.420 1.00 0.00 O ATOM 1498 CB VAL B 210 4.088 5.618 6.346 1.00 0.00 C ATOM 1499 CG1 VAL B 210 5.386 5.914 7.115 1.00 0.00 C ATOM 1500 CG2 VAL B 210 3.858 4.106 6.178 1.00 0.00 C ATOM 1501 OXT VAL B 210 1.860 6.962 5.054 1.00 0.00 O ATOM 0 H VAL B 210 1.752 4.879 7.969 1.00 0.00 H new ATOM 0 HA VAL B 210 3.322 7.247 7.353 1.00 0.00 H new ATOM 0 HB VAL B 210 4.173 6.031 5.341 1.00 0.00 H new ATOM 0 HG11 VAL B 210 6.226 5.440 6.607 1.00 0.00 H new ATOM 0 HG12 VAL B 210 5.547 6.991 7.155 1.00 0.00 H new ATOM 0 HG13 VAL B 210 5.306 5.521 8.129 1.00 0.00 H new ATOM 0 HG21 VAL B 210 4.711 3.663 5.664 1.00 0.00 H new ATOM 0 HG22 VAL B 210 3.745 3.644 7.159 1.00 0.00 H new ATOM 0 HG23 VAL B 210 2.954 3.938 5.592 1.00 0.00 H new TER 1511 VAL B 210