USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=22 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+ -160:sc= 1.21 (180deg=1.07) USER MOD Set 1.2: A 88 THR OG1 : rot -160:sc= 0.00292 USER MOD Set 2.1: A 80 GLN : amide:sc= 0.468 X(o=0.47,f=0.15) USER MOD Set 2.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 78 HIS : no HE2:sc= 0.908 K(o=2.2,f=-6.7!) USER MOD Set 3.2: B 208 THR OG1 : rot 70:sc= 1.32 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0319 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -48:sc= 1.15 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0178) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.103) USER MOD Single : A 55 SER OG : rot -40:sc= 1.29 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 61 LYS NZ :NH3+ 167:sc=-0.00165 (180deg=-0.147) USER MOD Single : A 69 ASN : amide:sc= 0.67 K(o=0.67,f=-0.14) USER MOD Single : A 72 SER OG : rot 180:sc=-0.00649 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.67 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.0381 K(o=-0.038,f=-1.2!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.37) USER MOD Single : A 98 LYS NZ :NH3+ -177:sc= 1.78 (180deg=1.66) USER MOD Single : A 100 GLN : amide:sc= -0.0501 X(o=-0.05,f=-0.045) 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 -13.209 -8.833 0.422 1.00 0.00 N ATOM 2 CA MET A 8 -14.255 -9.441 -0.340 1.00 0.00 C ATOM 3 C MET A 8 -13.791 -10.741 -0.900 1.00 0.00 C ATOM 4 O MET A 8 -14.083 -11.810 -0.366 1.00 0.00 O ATOM 5 CB MET A 8 -14.755 -8.477 -1.430 1.00 0.00 C ATOM 6 CG MET A 8 -15.964 -8.967 -2.230 1.00 0.00 C ATOM 7 SD MET A 8 -16.353 -7.891 -3.643 1.00 0.00 S ATOM 8 CE MET A 8 -17.763 -8.874 -4.229 1.00 0.00 C ATOM 0 HA MET A 8 -15.103 -9.652 0.311 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.011 -7.526 -0.962 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.936 -8.281 -2.123 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.771 -9.977 -2.590 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.831 -9.024 -1.572 1.00 0.00 H new ATOM 0 HE1 MET A 8 -18.189 -8.406 -5.117 1.00 0.00 H new ATOM 0 HE2 MET A 8 -17.427 -9.881 -4.476 1.00 0.00 H new ATOM 0 HE3 MET A 8 -18.521 -8.926 -3.447 1.00 0.00 H new ATOM 18 N LYS A 9 -13.052 -10.706 -2.023 1.00 0.00 N ATOM 19 CA LYS A 9 -12.614 -11.853 -2.755 1.00 0.00 C ATOM 20 C LYS A 9 -11.266 -12.302 -2.306 1.00 0.00 C ATOM 21 O LYS A 9 -10.481 -11.473 -1.848 1.00 0.00 O ATOM 22 CB LYS A 9 -12.557 -11.536 -4.260 1.00 0.00 C ATOM 23 CG LYS A 9 -13.907 -11.236 -4.916 1.00 0.00 C ATOM 24 CD LYS A 9 -13.811 -11.022 -6.428 1.00 0.00 C ATOM 25 CE LYS A 9 -13.349 -12.222 -7.258 1.00 0.00 C ATOM 26 NZ LYS A 9 -14.372 -13.288 -7.325 1.00 0.00 N ATOM 0 H LYS A 9 -12.744 -9.829 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.332 -12.652 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.900 -10.679 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.101 -12.381 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.592 -12.060 -4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.337 -10.346 -4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.791 -10.712 -6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.126 -10.195 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.107 -11.890 -8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.433 -12.627 -6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.013 -14.078 -7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.586 -13.625 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.238 -12.911 -7.760 1.00 0.00 H new ATOM 40 N PRO A 10 -10.901 -13.547 -2.383 1.00 0.00 N ATOM 41 CA PRO A 10 -9.623 -14.014 -1.930 1.00 0.00 C ATOM 42 C PRO A 10 -8.479 -13.607 -2.794 1.00 0.00 C ATOM 43 O PRO A 10 -8.371 -14.053 -3.936 1.00 0.00 O ATOM 44 CB PRO A 10 -9.761 -15.534 -1.884 1.00 0.00 C ATOM 45 CG PRO A 10 -10.828 -15.850 -2.944 1.00 0.00 C ATOM 46 CD PRO A 10 -11.762 -14.637 -2.816 1.00 0.00 C ATOM 0 HA PRO A 10 -9.384 -13.571 -0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.816 -16.026 -2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.068 -15.876 -0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.400 -15.934 -3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.344 -16.788 -2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.243 -14.407 -3.766 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.556 -14.824 -2.093 1.00 0.00 H new ATOM 54 N GLY A 11 -7.563 -12.769 -2.278 1.00 0.00 N ATOM 55 CA GLY A 11 -6.376 -12.375 -2.971 1.00 0.00 C ATOM 56 C GLY A 11 -6.591 -11.378 -4.057 1.00 0.00 C ATOM 57 O GLY A 11 -5.839 -11.333 -5.029 1.00 0.00 O ATOM 0 H GLY A 11 -7.651 -12.353 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.671 -11.960 -2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.910 -13.263 -3.398 1.00 0.00 H new ATOM 61 N ASP A 12 -7.628 -10.531 -3.931 1.00 0.00 N ATOM 62 CA ASP A 12 -8.001 -9.595 -4.946 1.00 0.00 C ATOM 63 C ASP A 12 -7.213 -8.338 -4.811 1.00 0.00 C ATOM 64 O ASP A 12 -7.052 -7.817 -3.707 1.00 0.00 O ATOM 65 CB ASP A 12 -9.510 -9.334 -4.810 1.00 0.00 C ATOM 66 CG ASP A 12 -10.145 -8.770 -6.073 1.00 0.00 C ATOM 67 OD1 ASP A 12 -10.019 -9.419 -7.145 1.00 0.00 O ATOM 68 OD2 ASP A 12 -10.814 -7.704 -6.005 1.00 0.00 O ATOM 0 H ASP A 12 -8.222 -10.496 -3.103 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.787 -9.995 -5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.010 -10.266 -4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.678 -8.639 -3.987 1.00 0.00 H new ATOM 73 N THR A 13 -6.659 -7.800 -5.912 1.00 0.00 N ATOM 74 CA THR A 13 -5.932 -6.569 -5.868 1.00 0.00 C ATOM 75 C THR A 13 -6.799 -5.384 -6.119 1.00 0.00 C ATOM 76 O THR A 13 -7.660 -5.369 -6.996 1.00 0.00 O ATOM 77 CB THR A 13 -4.728 -6.447 -6.753 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.002 -6.751 -8.113 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.623 -7.393 -6.252 1.00 0.00 C ATOM 0 H THR A 13 -6.715 -8.221 -6.839 1.00 0.00 H new ATOM 0 HA THR A 13 -5.559 -6.590 -4.844 1.00 0.00 H new ATOM 0 HB THR A 13 -4.410 -5.405 -6.705 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.183 -6.653 -8.642 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.748 -7.304 -6.896 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.351 -7.126 -5.231 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.986 -8.420 -6.274 1.00 0.00 H new ATOM 87 N PHE A 14 -6.570 -4.318 -5.331 1.00 0.00 N ATOM 88 CA PHE A 14 -7.194 -3.039 -5.476 1.00 0.00 C ATOM 89 C PHE A 14 -6.092 -2.053 -5.659 1.00 0.00 C ATOM 90 O PHE A 14 -5.199 -1.909 -4.826 1.00 0.00 O ATOM 91 CB PHE A 14 -8.198 -2.615 -4.392 1.00 0.00 C ATOM 92 CG PHE A 14 -7.949 -3.070 -2.994 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.847 -4.396 -2.645 1.00 0.00 C ATOM 94 CD2 PHE A 14 -7.932 -2.141 -1.982 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.611 -4.781 -1.347 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.684 -2.508 -0.679 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.517 -3.833 -0.355 1.00 0.00 C ATOM 0 H PHE A 14 -5.914 -4.351 -4.551 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.855 -3.094 -6.341 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.244 -1.526 -4.386 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.183 -2.974 -4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.955 -5.152 -3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.117 -1.102 -2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.499 -5.828 -1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.620 -1.753 0.091 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.315 -4.126 0.665 1.00 0.00 H new ATOM 107 N GLU A 15 -6.100 -1.352 -6.807 1.00 0.00 N ATOM 108 CA GLU A 15 -5.131 -0.359 -7.153 1.00 0.00 C ATOM 109 C GLU A 15 -5.660 0.978 -6.763 1.00 0.00 C ATOM 110 O GLU A 15 -6.104 1.776 -7.588 1.00 0.00 O ATOM 111 CB GLU A 15 -4.798 -0.424 -8.653 1.00 0.00 C ATOM 112 CG GLU A 15 -4.296 -1.783 -9.143 1.00 0.00 C ATOM 113 CD GLU A 15 -4.234 -1.861 -10.661 1.00 0.00 C ATOM 114 OE1 GLU A 15 -5.310 -1.755 -11.308 1.00 0.00 O ATOM 115 OE2 GLU A 15 -3.124 -2.024 -11.238 1.00 0.00 O ATOM 0 H GLU A 15 -6.813 -1.483 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.201 -0.542 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.690 -0.156 -9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.041 0.328 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.305 -1.972 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.953 -2.568 -8.767 1.00 0.00 H new ATOM 122 N VAL A 16 -5.654 1.263 -5.448 1.00 0.00 N ATOM 123 CA VAL A 16 -6.195 2.424 -4.813 1.00 0.00 C ATOM 124 C VAL A 16 -5.374 3.620 -5.152 1.00 0.00 C ATOM 125 O VAL A 16 -4.187 3.472 -5.439 1.00 0.00 O ATOM 126 CB VAL A 16 -6.187 2.207 -3.329 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.856 3.352 -2.550 1.00 0.00 C ATOM 128 CG2 VAL A 16 -6.943 0.910 -2.990 1.00 0.00 C ATOM 0 H VAL A 16 -5.234 0.624 -4.773 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.215 2.592 -5.160 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.139 2.155 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.818 3.136 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.329 4.285 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.895 3.447 -2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.935 0.756 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.973 0.988 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.457 0.067 -3.481 1.00 0.00 H new ATOM 138 N GLU A 17 -5.917 4.851 -5.154 1.00 0.00 N ATOM 139 CA GLU A 17 -5.113 6.033 -5.201 1.00 0.00 C ATOM 140 C GLU A 17 -5.548 6.973 -4.131 1.00 0.00 C ATOM 141 O GLU A 17 -6.714 7.345 -4.015 1.00 0.00 O ATOM 142 CB GLU A 17 -5.023 6.651 -6.606 1.00 0.00 C ATOM 143 CG GLU A 17 -5.880 7.891 -6.870 1.00 0.00 C ATOM 144 CD GLU A 17 -5.736 8.468 -8.272 1.00 0.00 C ATOM 145 OE1 GLU A 17 -6.226 7.836 -9.246 1.00 0.00 O ATOM 146 OE2 GLU A 17 -5.183 9.593 -8.400 1.00 0.00 O ATOM 0 H GLU A 17 -6.921 5.028 -5.123 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.078 5.764 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.982 6.911 -6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.299 5.886 -7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.926 7.637 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.617 8.661 -6.145 1.00 0.00 H new ATOM 153 N LEU A 18 -4.603 7.356 -3.253 1.00 0.00 N ATOM 154 CA LEU A 18 -4.842 8.195 -2.120 1.00 0.00 C ATOM 155 C LEU A 18 -3.961 9.392 -2.200 1.00 0.00 C ATOM 156 O LEU A 18 -3.063 9.475 -3.037 1.00 0.00 O ATOM 157 CB LEU A 18 -4.441 7.477 -0.820 1.00 0.00 C ATOM 158 CG LEU A 18 -5.090 6.101 -0.588 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.456 5.483 0.668 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.622 6.193 -0.485 1.00 0.00 C ATOM 0 H LEU A 18 -3.628 7.067 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.901 8.454 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.358 7.353 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.692 8.123 0.022 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.901 5.456 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.899 4.505 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.382 5.372 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.636 6.133 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.036 5.198 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.892 6.840 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.025 6.606 -1.410 1.00 0.00 H new ATOM 172 N ALA A 19 -4.129 10.346 -1.266 1.00 0.00 N ATOM 173 CA ALA A 19 -3.061 11.213 -0.875 1.00 0.00 C ATOM 174 C ALA A 19 -2.894 11.102 0.602 1.00 0.00 C ATOM 175 O ALA A 19 -3.857 11.063 1.365 1.00 0.00 O ATOM 176 CB ALA A 19 -3.294 12.673 -1.296 1.00 0.00 C ATOM 0 H ALA A 19 -5.009 10.517 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.151 10.902 -1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.451 13.284 -0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.387 12.728 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.209 13.043 -0.834 1.00 0.00 H new ATOM 182 N LYS A 20 -1.636 11.024 1.072 1.00 0.00 N ATOM 183 CA LYS A 20 -1.248 11.057 2.447 1.00 0.00 C ATOM 184 C LYS A 20 -1.504 12.371 3.102 1.00 0.00 C ATOM 185 O LYS A 20 -1.112 13.425 2.603 1.00 0.00 O ATOM 186 CB LYS A 20 0.250 10.725 2.565 1.00 0.00 C ATOM 187 CG LYS A 20 1.048 11.242 1.367 1.00 0.00 C ATOM 188 CD LYS A 20 2.508 11.613 1.634 1.00 0.00 C ATOM 189 CE LYS A 20 3.431 10.459 2.034 1.00 0.00 C ATOM 190 NZ LYS A 20 4.808 10.994 2.123 1.00 0.00 N ATOM 0 H LYS A 20 -0.836 10.931 0.446 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.859 10.316 2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.647 11.162 3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.377 9.645 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.026 10.481 0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.539 12.120 0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.913 12.082 0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.533 12.363 2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.122 10.036 2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.380 9.656 1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.490 10.211 2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.971 11.664 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.932 11.483 3.032 1.00 0.00 H new ATOM 204 N THR A 21 -2.156 12.373 4.278 1.00 0.00 N ATOM 205 CA THR A 21 -2.482 13.551 5.018 1.00 0.00 C ATOM 206 C THR A 21 -1.428 13.809 6.039 1.00 0.00 C ATOM 207 O THR A 21 -1.338 13.156 7.077 1.00 0.00 O ATOM 208 CB THR A 21 -3.881 13.558 5.562 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.180 14.714 6.330 1.00 0.00 O ATOM 210 CG2 THR A 21 -4.216 12.326 6.419 1.00 0.00 C ATOM 0 H THR A 21 -2.470 11.515 4.733 1.00 0.00 H new ATOM 0 HA THR A 21 -2.487 14.394 4.327 1.00 0.00 H new ATOM 0 HB THR A 21 -4.497 13.548 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.103 14.661 6.655 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.243 12.400 6.777 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.106 11.424 5.818 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.537 12.279 7.270 1.00 0.00 H new ATOM 218 N ASP A 22 -0.531 14.764 5.737 1.00 0.00 N ATOM 219 CA ASP A 22 0.677 15.058 6.445 1.00 0.00 C ATOM 220 C ASP A 22 1.544 13.871 6.683 1.00 0.00 C ATOM 221 O ASP A 22 1.755 13.431 7.813 1.00 0.00 O ATOM 222 CB ASP A 22 0.405 15.901 7.702 1.00 0.00 C ATOM 223 CG ASP A 22 1.697 16.487 8.253 1.00 0.00 C ATOM 224 OD1 ASP A 22 2.316 17.339 7.562 1.00 0.00 O ATOM 225 OD2 ASP A 22 2.115 16.094 9.375 1.00 0.00 O ATOM 0 H ASP A 22 -0.662 15.379 4.934 1.00 0.00 H new ATOM 0 HA ASP A 22 1.279 15.681 5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.290 16.705 7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.072 15.283 8.463 1.00 0.00 H new ATOM 230 N GLY A 23 2.070 13.272 5.600 1.00 0.00 N ATOM 231 CA GLY A 23 2.952 12.148 5.660 1.00 0.00 C ATOM 232 C GLY A 23 2.411 10.953 6.367 1.00 0.00 C ATOM 233 O GLY A 23 3.062 10.410 7.259 1.00 0.00 O ATOM 0 H GLY A 23 1.874 13.581 4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.216 11.859 4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.874 12.456 6.154 1.00 0.00 H new ATOM 237 N SER A 24 1.183 10.532 6.012 1.00 0.00 N ATOM 238 CA SER A 24 0.440 9.551 6.739 1.00 0.00 C ATOM 239 C SER A 24 -0.768 9.248 5.922 1.00 0.00 C ATOM 240 O SER A 24 -1.769 9.962 5.907 1.00 0.00 O ATOM 241 CB SER A 24 0.096 9.985 8.174 1.00 0.00 C ATOM 242 OG SER A 24 -0.594 8.997 8.927 1.00 0.00 O ATOM 0 H SER A 24 0.692 10.887 5.192 1.00 0.00 H new ATOM 0 HA SER A 24 1.043 8.655 6.885 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.017 10.246 8.694 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.514 10.888 8.133 1.00 0.00 H new ATOM 0 HG SER A 24 -0.778 9.340 9.826 1.00 0.00 H new ATOM 248 N LEU A 25 -0.691 8.133 5.174 1.00 0.00 N ATOM 249 CA LEU A 25 -1.768 7.433 4.547 1.00 0.00 C ATOM 250 C LEU A 25 -2.641 6.908 5.635 1.00 0.00 C ATOM 251 O LEU A 25 -3.870 6.966 5.619 1.00 0.00 O ATOM 252 CB LEU A 25 -1.237 6.199 3.797 1.00 0.00 C ATOM 253 CG LEU A 25 -0.061 6.448 2.837 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.750 5.154 2.657 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.540 7.083 1.521 1.00 0.00 C ATOM 0 H LEU A 25 0.206 7.683 4.993 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.285 8.103 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.929 5.456 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.058 5.763 3.228 1.00 0.00 H new ATOM 0 HG LEU A 25 0.620 7.181 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.581 5.337 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.137 4.830 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.107 4.376 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.314 7.247 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.251 6.416 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.023 8.037 1.732 1.00 0.00 H new ATOM 267 N GLY A 26 -1.977 6.388 6.682 1.00 0.00 N ATOM 268 CA GLY A 26 -2.592 5.992 7.911 1.00 0.00 C ATOM 269 C GLY A 26 -2.655 4.506 8.004 1.00 0.00 C ATOM 270 O GLY A 26 -3.684 3.947 8.380 1.00 0.00 O ATOM 0 H GLY A 26 -0.968 6.237 6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.027 6.392 8.753 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.597 6.410 7.974 1.00 0.00 H new ATOM 274 N ILE A 27 -1.518 3.865 7.680 1.00 0.00 N ATOM 275 CA ILE A 27 -1.294 2.489 7.998 1.00 0.00 C ATOM 276 C ILE A 27 -0.051 2.346 8.807 1.00 0.00 C ATOM 277 O ILE A 27 0.964 2.987 8.535 1.00 0.00 O ATOM 278 CB ILE A 27 -1.282 1.619 6.775 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.291 2.101 5.704 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.726 1.589 6.243 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.251 1.210 4.464 1.00 0.00 C ATOM 0 H ILE A 27 -0.742 4.309 7.189 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.131 2.139 8.602 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.937 0.618 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.557 3.115 5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.707 2.149 6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.772 0.966 5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.386 1.177 7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.044 2.602 5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.470 1.611 3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.045 0.201 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.239 1.182 4.004 1.00 0.00 H new ATOM 293 N SER A 28 -0.095 1.510 9.860 1.00 0.00 N ATOM 294 CA SER A 28 1.059 0.983 10.519 1.00 0.00 C ATOM 295 C SER A 28 1.556 -0.234 9.817 1.00 0.00 C ATOM 296 O SER A 28 0.842 -1.231 9.717 1.00 0.00 O ATOM 297 CB SER A 28 0.852 0.492 11.962 1.00 0.00 C ATOM 298 OG SER A 28 0.710 1.569 12.876 1.00 0.00 O ATOM 0 H SER A 28 -0.972 1.188 10.269 1.00 0.00 H new ATOM 0 HA SER A 28 1.736 1.837 10.512 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.035 -0.140 12.006 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.699 -0.126 12.259 1.00 0.00 H new ATOM 0 HG SER A 28 0.579 1.215 13.780 1.00 0.00 H new ATOM 304 N VAL A 29 2.807 -0.223 9.325 1.00 0.00 N ATOM 305 CA VAL A 29 3.332 -1.299 8.544 1.00 0.00 C ATOM 306 C VAL A 29 4.019 -2.391 9.290 1.00 0.00 C ATOM 307 O VAL A 29 4.907 -2.177 10.114 1.00 0.00 O ATOM 308 CB VAL A 29 4.179 -0.768 7.427 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.319 0.226 6.627 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.467 -0.092 7.925 1.00 0.00 C ATOM 0 H VAL A 29 3.464 0.544 9.471 1.00 0.00 H new ATOM 0 HA VAL A 29 2.452 -1.799 8.141 1.00 0.00 H new ATOM 0 HB VAL A 29 4.505 -1.600 6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.905 0.634 5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.444 -0.288 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.998 1.037 7.280 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.040 0.273 7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.211 0.745 8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.065 -0.814 8.481 1.00 0.00 H new ATOM 320 N THR A 30 3.655 -3.660 9.031 1.00 0.00 N ATOM 321 CA THR A 30 4.240 -4.833 9.601 1.00 0.00 C ATOM 322 C THR A 30 4.673 -5.783 8.538 1.00 0.00 C ATOM 323 O THR A 30 4.318 -5.663 7.367 1.00 0.00 O ATOM 324 CB THR A 30 3.365 -5.512 10.614 1.00 0.00 C ATOM 325 OG1 THR A 30 3.989 -6.570 11.326 1.00 0.00 O ATOM 326 CG2 THR A 30 2.078 -6.069 9.983 1.00 0.00 C ATOM 0 H THR A 30 2.901 -3.880 8.380 1.00 0.00 H new ATOM 0 HA THR A 30 5.120 -4.495 10.149 1.00 0.00 H new ATOM 0 HB THR A 30 3.139 -4.716 11.323 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.353 -6.955 11.964 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.475 -6.552 10.752 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.510 -5.254 9.535 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.336 -6.797 9.214 1.00 0.00 H new ATOM 334 N GLY A 31 5.502 -6.771 8.918 1.00 0.00 N ATOM 335 CA GLY A 31 6.031 -7.783 8.058 1.00 0.00 C ATOM 336 C GLY A 31 7.372 -7.442 7.505 1.00 0.00 C ATOM 337 O GLY A 31 8.290 -7.057 8.228 1.00 0.00 O ATOM 0 H GLY A 31 5.821 -6.869 9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.101 -8.720 8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.337 -7.950 7.234 1.00 0.00 H new ATOM 341 N GLY A 32 7.517 -7.586 6.175 1.00 0.00 N ATOM 342 CA GLY A 32 8.702 -7.300 5.428 1.00 0.00 C ATOM 343 C GLY A 32 9.406 -8.557 5.046 1.00 0.00 C ATOM 344 O GLY A 32 9.247 -9.597 5.682 1.00 0.00 O ATOM 0 H GLY A 32 6.757 -7.924 5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.444 -6.736 4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.367 -6.671 6.020 1.00 0.00 H new ATOM 348 N VAL A 33 10.258 -8.506 4.006 1.00 0.00 N ATOM 349 CA VAL A 33 10.971 -9.624 3.472 1.00 0.00 C ATOM 350 C VAL A 33 11.885 -10.285 4.446 1.00 0.00 C ATOM 351 O VAL A 33 12.263 -11.446 4.294 1.00 0.00 O ATOM 352 CB VAL A 33 11.713 -9.237 2.227 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.034 -8.508 2.527 1.00 0.00 C ATOM 354 CG2 VAL A 33 11.962 -10.465 1.335 1.00 0.00 C ATOM 0 H VAL A 33 10.460 -7.637 3.512 1.00 0.00 H new ATOM 0 HA VAL A 33 10.212 -10.367 3.226 1.00 0.00 H new ATOM 0 HB VAL A 33 11.078 -8.533 1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.529 -8.252 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.827 -7.597 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.683 -9.158 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.501 -10.160 0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.554 -11.198 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.007 -10.908 1.051 1.00 0.00 H new ATOM 364 N ASN A 34 12.255 -9.555 5.512 1.00 0.00 N ATOM 365 CA ASN A 34 13.199 -9.931 6.518 1.00 0.00 C ATOM 366 C ASN A 34 12.897 -11.226 7.192 1.00 0.00 C ATOM 367 O ASN A 34 13.763 -12.094 7.302 1.00 0.00 O ATOM 368 CB ASN A 34 13.279 -8.779 7.532 1.00 0.00 C ATOM 369 CG ASN A 34 14.522 -8.842 8.408 1.00 0.00 C ATOM 370 OD1 ASN A 34 15.485 -9.556 8.130 1.00 0.00 O ATOM 371 ND2 ASN A 34 14.507 -8.042 9.507 1.00 0.00 N ATOM 0 H ASN A 34 11.863 -8.629 5.683 1.00 0.00 H new ATOM 0 HA ASN A 34 14.160 -10.102 6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.267 -7.830 6.997 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.393 -8.799 8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.312 -8.020 10.133 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.691 -7.463 9.706 1.00 0.00 H new ATOM 378 N THR A 35 11.649 -11.403 7.658 1.00 0.00 N ATOM 379 CA THR A 35 11.166 -12.625 8.222 1.00 0.00 C ATOM 380 C THR A 35 9.682 -12.499 8.285 1.00 0.00 C ATOM 381 O THR A 35 9.153 -11.393 8.178 1.00 0.00 O ATOM 382 CB THR A 35 11.745 -12.968 9.563 1.00 0.00 C ATOM 383 OG1 THR A 35 11.400 -14.278 9.990 1.00 0.00 O ATOM 384 CG2 THR A 35 11.314 -11.980 10.660 1.00 0.00 C ATOM 0 H THR A 35 10.946 -10.664 7.641 1.00 0.00 H new ATOM 0 HA THR A 35 11.483 -13.454 7.590 1.00 0.00 H new ATOM 0 HB THR A 35 12.824 -12.907 9.420 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.802 -14.453 10.866 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.760 -12.274 11.610 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.648 -10.976 10.397 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.228 -11.989 10.751 1.00 0.00 H new ATOM 392 N SER A 36 8.962 -13.619 8.471 1.00 0.00 N ATOM 393 CA SER A 36 7.565 -13.706 8.763 1.00 0.00 C ATOM 394 C SER A 36 6.604 -13.694 7.625 1.00 0.00 C ATOM 395 O SER A 36 5.467 -14.132 7.794 1.00 0.00 O ATOM 396 CB SER A 36 7.064 -12.790 9.894 1.00 0.00 C ATOM 397 OG SER A 36 6.780 -11.469 9.459 1.00 0.00 O ATOM 0 H SER A 36 9.395 -14.541 8.412 1.00 0.00 H new ATOM 0 HA SER A 36 7.555 -14.734 9.124 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.164 -13.223 10.332 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.816 -12.752 10.682 1.00 0.00 H new ATOM 0 HG SER A 36 7.527 -11.134 8.920 1.00 0.00 H new ATOM 403 N VAL A 37 6.962 -13.196 6.429 1.00 0.00 N ATOM 404 CA VAL A 37 6.024 -13.027 5.362 1.00 0.00 C ATOM 405 C VAL A 37 6.013 -14.235 4.489 1.00 0.00 C ATOM 406 O VAL A 37 6.620 -15.260 4.799 1.00 0.00 O ATOM 407 CB VAL A 37 6.326 -11.789 4.571 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.157 -10.565 5.486 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.740 -11.813 3.965 1.00 0.00 C ATOM 0 H VAL A 37 7.913 -12.907 6.199 1.00 0.00 H new ATOM 0 HA VAL A 37 5.030 -12.906 5.792 1.00 0.00 H new ATOM 0 HB VAL A 37 5.629 -11.737 3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.374 -9.657 4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.133 -10.526 5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.845 -10.643 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.910 -10.895 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.477 -11.890 4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.836 -12.670 3.299 1.00 0.00 H new ATOM 419 N ARG A 38 5.335 -14.169 3.330 1.00 0.00 N ATOM 420 CA ARG A 38 5.400 -15.197 2.339 1.00 0.00 C ATOM 421 C ARG A 38 6.685 -15.109 1.589 1.00 0.00 C ATOM 422 O ARG A 38 7.515 -16.013 1.685 1.00 0.00 O ATOM 423 CB ARG A 38 4.171 -15.143 1.416 1.00 0.00 C ATOM 424 CG ARG A 38 3.998 -16.395 0.552 1.00 0.00 C ATOM 425 CD ARG A 38 2.570 -16.944 0.574 1.00 0.00 C ATOM 426 NE ARG A 38 2.337 -17.465 1.951 1.00 0.00 N ATOM 427 CZ ARG A 38 1.108 -17.571 2.534 1.00 0.00 C ATOM 428 NH1 ARG A 38 -0.049 -17.330 1.849 1.00 0.00 N ATOM 429 NH2 ARG A 38 1.022 -17.970 3.837 1.00 0.00 N ATOM 0 H ARG A 38 4.731 -13.387 3.076 1.00 0.00 H new ATOM 0 HA ARG A 38 5.379 -16.170 2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.277 -15.005 2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.253 -14.272 0.766 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.276 -16.162 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.684 -17.167 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.851 -16.163 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.447 -17.735 -0.166 1.00 0.00 H new ATOM 0 HE ARG A 38 3.149 -17.761 2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.013 -17.060 0.866 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.949 -17.420 2.320 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.870 -18.184 4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.110 -18.054 4.286 1.00 0.00 H new ATOM 443 N HIS A 39 6.926 -13.996 0.875 1.00 0.00 N ATOM 444 CA HIS A 39 8.224 -13.707 0.348 1.00 0.00 C ATOM 445 C HIS A 39 8.434 -12.312 -0.131 1.00 0.00 C ATOM 446 O HIS A 39 9.490 -11.995 -0.677 1.00 0.00 O ATOM 447 CB HIS A 39 8.633 -14.655 -0.792 1.00 0.00 C ATOM 448 CG HIS A 39 7.639 -14.784 -1.907 1.00 0.00 C ATOM 449 ND1 HIS A 39 7.638 -13.900 -2.967 1.00 0.00 N ATOM 450 CD2 HIS A 39 6.659 -15.714 -2.065 1.00 0.00 C ATOM 451 CE1 HIS A 39 6.653 -14.299 -3.750 1.00 0.00 C ATOM 452 NE2 HIS A 39 6.024 -15.396 -3.248 1.00 0.00 N ATOM 0 H HIS A 39 6.219 -13.293 0.661 1.00 0.00 H new ATOM 0 HA HIS A 39 8.855 -13.856 1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 39 9.579 -14.308 -1.209 1.00 0.00 H new ATOM 0 HB3 HIS A 39 8.813 -15.645 -0.372 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.426 -16.533 -1.401 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.380 -13.814 -4.676 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.235 -15.889 -3.666 1.00 0.00 H new ATOM 460 N GLY A 40 7.487 -11.371 0.031 1.00 0.00 N ATOM 461 CA GLY A 40 7.727 -10.053 -0.469 1.00 0.00 C ATOM 462 C GLY A 40 6.536 -9.160 -0.397 1.00 0.00 C ATOM 463 O GLY A 40 5.578 -9.279 -1.159 1.00 0.00 O ATOM 0 H GLY A 40 6.587 -11.513 0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.543 -9.602 0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.057 -10.121 -1.506 1.00 0.00 H new ATOM 467 N GLY A 41 6.557 -8.193 0.538 1.00 0.00 N ATOM 468 CA GLY A 41 5.545 -7.188 0.636 1.00 0.00 C ATOM 469 C GLY A 41 5.600 -6.591 2.000 1.00 0.00 C ATOM 470 O GLY A 41 6.288 -7.103 2.882 1.00 0.00 O ATOM 0 H GLY A 41 7.292 -8.108 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.701 -6.419 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.562 -7.621 0.452 1.00 0.00 H new ATOM 474 N ILE A 42 4.840 -5.503 2.222 1.00 0.00 N ATOM 475 CA ILE A 42 4.604 -5.004 3.541 1.00 0.00 C ATOM 476 C ILE A 42 3.140 -5.150 3.773 1.00 0.00 C ATOM 477 O ILE A 42 2.349 -5.205 2.833 1.00 0.00 O ATOM 478 CB ILE A 42 5.222 -3.662 3.808 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.640 -3.506 5.279 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.373 -2.434 3.437 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.880 -4.332 5.622 1.00 0.00 C ATOM 0 H ILE A 42 4.387 -4.966 1.483 1.00 0.00 H new ATOM 0 HA ILE A 42 5.129 -5.581 4.302 1.00 0.00 H new ATOM 0 HB ILE A 42 6.082 -3.669 3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.837 -2.455 5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.815 -3.810 5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.925 -1.525 3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.151 -2.454 2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.441 -2.452 4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.134 -4.187 6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.676 -5.387 5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.715 -4.011 4.999 1.00 0.00 H new ATOM 493 N TYR A 43 2.687 -5.334 5.025 1.00 0.00 N ATOM 494 CA TYR A 43 1.334 -5.714 5.293 1.00 0.00 C ATOM 495 C TYR A 43 0.833 -4.727 6.291 1.00 0.00 C ATOM 496 O TYR A 43 1.615 -4.125 7.024 1.00 0.00 O ATOM 497 CB TYR A 43 1.267 -7.104 5.949 1.00 0.00 C ATOM 498 CG TYR A 43 1.663 -8.242 5.074 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.954 -8.428 4.639 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.725 -9.203 4.778 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.291 -9.525 3.883 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.064 -10.333 4.071 1.00 0.00 C ATOM 503 CZ TYR A 43 2.352 -10.493 3.616 1.00 0.00 C ATOM 504 OH TYR A 43 2.706 -11.654 2.898 1.00 0.00 O ATOM 0 H TYR A 43 3.263 -5.219 5.859 1.00 0.00 H new ATOM 0 HA TYR A 43 0.758 -5.739 4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.910 -7.103 6.829 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.249 -7.274 6.299 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.713 -7.703 4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.295 -9.068 5.106 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.295 -9.627 3.498 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.321 -11.092 3.874 1.00 0.00 H new ATOM 0 HH TYR A 43 1.920 -12.231 2.801 1.00 0.00 H new ATOM 514 N VAL A 44 -0.483 -4.460 6.362 1.00 0.00 N ATOM 515 CA VAL A 44 -1.002 -3.532 7.319 1.00 0.00 C ATOM 516 C VAL A 44 -1.196 -4.171 8.651 1.00 0.00 C ATOM 517 O VAL A 44 -1.853 -5.203 8.785 1.00 0.00 O ATOM 518 CB VAL A 44 -2.314 -2.955 6.876 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.670 -1.791 7.815 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.230 -2.463 5.422 1.00 0.00 C ATOM 0 H VAL A 44 -1.187 -4.885 5.758 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.263 -2.735 7.400 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.087 -3.722 6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.622 -1.356 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.750 -2.160 8.838 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.891 -1.031 7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.192 -2.049 5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.463 -1.693 5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.975 -3.298 4.769 1.00 0.00 H new ATOM 530 N LYS A 45 -0.635 -3.576 9.718 1.00 0.00 N ATOM 531 CA LYS A 45 -0.860 -3.984 11.069 1.00 0.00 C ATOM 532 C LYS A 45 -2.107 -3.355 11.590 1.00 0.00 C ATOM 533 O LYS A 45 -3.014 -4.031 12.071 1.00 0.00 O ATOM 534 CB LYS A 45 0.330 -3.630 11.977 1.00 0.00 C ATOM 535 CG LYS A 45 0.555 -4.604 13.133 1.00 0.00 C ATOM 536 CD LYS A 45 -0.308 -4.381 14.376 1.00 0.00 C ATOM 537 CE LYS A 45 -0.188 -5.487 15.427 1.00 0.00 C ATOM 538 NZ LYS A 45 -0.882 -6.714 14.978 1.00 0.00 N ATOM 0 H LYS A 45 -0.001 -2.781 9.637 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.969 -5.068 11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.235 -3.590 11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.175 -2.631 12.385 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.378 -5.616 12.769 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.603 -4.550 13.428 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.031 -3.430 14.832 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.351 -4.296 14.071 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.863 -5.706 15.613 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.615 -5.147 16.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.876 -7.416 15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.865 -6.485 14.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.394 -7.105 14.147 1.00 0.00 H new ATOM 552 N ALA A 46 -2.190 -2.015 11.506 1.00 0.00 N ATOM 553 CA ALA A 46 -3.269 -1.259 12.062 1.00 0.00 C ATOM 554 C ALA A 46 -3.651 -0.149 11.143 1.00 0.00 C ATOM 555 O ALA A 46 -2.799 0.519 10.559 1.00 0.00 O ATOM 556 CB ALA A 46 -2.865 -0.730 13.448 1.00 0.00 C ATOM 0 H ALA A 46 -1.488 -1.442 11.039 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.142 -1.901 12.181 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.688 -0.154 13.871 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.634 -1.569 14.104 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.987 -0.092 13.352 1.00 0.00 H new ATOM 562 N ILE A 47 -4.970 0.062 10.984 1.00 0.00 N ATOM 563 CA ILE A 47 -5.573 1.117 10.231 1.00 0.00 C ATOM 564 C ILE A 47 -5.785 2.266 11.156 1.00 0.00 C ATOM 565 O ILE A 47 -6.069 2.092 12.340 1.00 0.00 O ATOM 566 CB ILE A 47 -6.872 0.663 9.634 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.686 -0.557 8.716 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.644 1.766 8.891 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.825 -0.286 7.482 1.00 0.00 C ATOM 0 H ILE A 47 -5.664 -0.550 11.413 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.927 1.414 9.405 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.482 0.378 10.491 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.233 -1.365 9.291 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.666 -0.907 8.392 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.570 1.355 8.490 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.876 2.576 9.582 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.034 2.150 8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.743 -1.196 6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.286 0.499 6.882 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.831 0.033 7.795 1.00 0.00 H new ATOM 581 N ILE A 48 -5.648 3.516 10.680 1.00 0.00 N ATOM 582 CA ILE A 48 -6.139 4.657 11.389 1.00 0.00 C ATOM 583 C ILE A 48 -7.562 4.871 11.004 1.00 0.00 C ATOM 584 O ILE A 48 -7.775 5.162 9.829 1.00 0.00 O ATOM 585 CB ILE A 48 -5.372 5.893 11.025 1.00 0.00 C ATOM 586 CG1 ILE A 48 -3.879 5.682 11.329 1.00 0.00 C ATOM 587 CG2 ILE A 48 -5.898 7.115 11.797 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.067 6.923 10.967 1.00 0.00 C ATOM 0 H ILE A 48 -5.192 3.738 9.795 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.031 4.474 12.458 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.504 6.082 9.960 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.748 5.453 12.387 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.508 4.824 10.769 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.325 7.998 11.515 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.949 7.273 11.556 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.793 6.942 12.868 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.015 6.748 11.192 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.181 7.135 9.904 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.425 7.774 11.547 1.00 0.00 H new ATOM 600 N PRO A 49 -8.562 4.798 11.833 1.00 0.00 N ATOM 601 CA PRO A 49 -9.899 5.127 11.436 1.00 0.00 C ATOM 602 C PRO A 49 -10.133 6.599 11.434 1.00 0.00 C ATOM 603 O PRO A 49 -10.943 7.079 12.226 1.00 0.00 O ATOM 604 CB PRO A 49 -10.760 4.375 12.449 1.00 0.00 C ATOM 605 CG PRO A 49 -9.920 4.399 13.736 1.00 0.00 C ATOM 606 CD PRO A 49 -8.494 4.255 13.181 1.00 0.00 C ATOM 0 HA PRO A 49 -10.131 4.837 10.411 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.725 4.861 12.592 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.962 3.355 12.123 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.051 5.327 14.293 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.181 3.583 14.410 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.775 4.801 13.792 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.177 3.212 13.172 1.00 0.00 H new ATOM 614 N LYS A 50 -9.433 7.299 10.525 1.00 0.00 N ATOM 615 CA LYS A 50 -9.416 8.695 10.213 1.00 0.00 C ATOM 616 C LYS A 50 -8.098 9.110 9.655 1.00 0.00 C ATOM 617 O LYS A 50 -7.527 10.142 10.004 1.00 0.00 O ATOM 618 CB LYS A 50 -9.891 9.672 11.301 1.00 0.00 C ATOM 619 CG LYS A 50 -9.102 9.714 12.611 1.00 0.00 C ATOM 620 CD LYS A 50 -9.818 10.422 13.764 1.00 0.00 C ATOM 621 CE LYS A 50 -10.129 11.907 13.570 1.00 0.00 C ATOM 622 NZ LYS A 50 -11.432 12.122 12.900 1.00 0.00 N ATOM 0 H LYS A 50 -8.780 6.803 9.918 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.193 8.780 9.453 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.888 10.675 10.875 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.926 9.430 11.540 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.874 8.693 12.915 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.150 10.213 12.431 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.756 9.900 13.954 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.207 10.316 14.660 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.134 12.405 14.539 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.338 12.368 12.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.330 12.855 12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.746 11.234 12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.137 12.427 13.601 1.00 0.00 H new ATOM 636 N GLY A 51 -7.530 8.345 8.705 1.00 0.00 N ATOM 637 CA GLY A 51 -6.407 8.774 7.931 1.00 0.00 C ATOM 638 C GLY A 51 -6.823 9.066 6.531 1.00 0.00 C ATOM 639 O GLY A 51 -7.672 9.918 6.270 1.00 0.00 O ATOM 0 H GLY A 51 -7.858 7.408 8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.967 9.665 8.380 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.638 8.002 7.935 1.00 0.00 H new ATOM 643 N ALA A 52 -6.199 8.356 5.575 1.00 0.00 N ATOM 644 CA ALA A 52 -6.484 8.401 4.174 1.00 0.00 C ATOM 645 C ALA A 52 -6.713 7.026 3.647 1.00 0.00 C ATOM 646 O ALA A 52 -7.487 6.808 2.716 1.00 0.00 O ATOM 647 CB ALA A 52 -5.281 9.028 3.450 1.00 0.00 C ATOM 0 H ALA A 52 -5.444 7.707 5.796 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.383 8.994 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.482 9.070 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.114 10.037 3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.393 8.422 3.629 1.00 0.00 H new ATOM 653 N ALA A 53 -6.056 6.003 4.225 1.00 0.00 N ATOM 654 CA ALA A 53 -6.141 4.639 3.805 1.00 0.00 C ATOM 655 C ALA A 53 -7.455 4.012 4.120 1.00 0.00 C ATOM 656 O ALA A 53 -8.094 3.429 3.245 1.00 0.00 O ATOM 657 CB ALA A 53 -4.951 3.886 4.422 1.00 0.00 C ATOM 0 H ALA A 53 -5.436 6.135 5.024 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.083 4.587 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.987 2.839 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.019 4.332 4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.003 3.952 5.509 1.00 0.00 H new ATOM 663 N GLU A 54 -7.970 4.178 5.351 1.00 0.00 N ATOM 664 CA GLU A 54 -9.307 3.834 5.723 1.00 0.00 C ATOM 665 C GLU A 54 -10.346 4.454 4.853 1.00 0.00 C ATOM 666 O GLU A 54 -11.394 3.882 4.555 1.00 0.00 O ATOM 667 CB GLU A 54 -9.558 4.299 7.168 1.00 0.00 C ATOM 668 CG GLU A 54 -10.951 4.032 7.741 1.00 0.00 C ATOM 669 CD GLU A 54 -11.332 2.571 7.930 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.806 1.920 6.961 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.237 2.078 9.086 1.00 0.00 O ATOM 0 H GLU A 54 -7.430 4.570 6.122 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.391 2.753 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.825 3.815 7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.368 5.371 7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.026 4.533 8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.686 4.495 7.083 1.00 0.00 H new ATOM 678 N SER A 55 -10.077 5.671 4.348 1.00 0.00 N ATOM 679 CA SER A 55 -10.956 6.347 3.443 1.00 0.00 C ATOM 680 C SER A 55 -11.268 5.660 2.158 1.00 0.00 C ATOM 681 O SER A 55 -12.281 5.954 1.525 1.00 0.00 O ATOM 682 CB SER A 55 -10.541 7.799 3.152 1.00 0.00 C ATOM 683 OG SER A 55 -9.672 7.979 2.045 1.00 0.00 O ATOM 0 H SER A 55 -9.232 6.197 4.572 1.00 0.00 H new ATOM 0 HA SER A 55 -11.882 6.332 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.442 8.388 2.983 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.057 8.204 4.040 1.00 0.00 H new ATOM 0 HG SER A 55 -9.001 7.264 2.036 1.00 0.00 H new ATOM 689 N ASP A 56 -10.425 4.707 1.722 1.00 0.00 N ATOM 690 CA ASP A 56 -10.719 3.789 0.666 1.00 0.00 C ATOM 691 C ASP A 56 -11.884 2.929 1.017 1.00 0.00 C ATOM 692 O ASP A 56 -13.001 3.153 0.555 1.00 0.00 O ATOM 693 CB ASP A 56 -9.471 2.956 0.325 1.00 0.00 C ATOM 694 CG ASP A 56 -9.798 1.933 -0.754 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.153 2.368 -1.882 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.844 0.723 -0.408 1.00 0.00 O ATOM 0 H ASP A 56 -9.497 4.570 2.124 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.997 4.353 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.670 3.612 -0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.108 2.449 1.219 1.00 0.00 H new ATOM 701 N GLY A 57 -11.660 1.888 1.839 1.00 0.00 N ATOM 702 CA GLY A 57 -12.715 1.128 2.436 1.00 0.00 C ATOM 703 C GLY A 57 -12.606 -0.340 2.207 1.00 0.00 C ATOM 704 O GLY A 57 -13.204 -1.129 2.938 1.00 0.00 O ATOM 0 H GLY A 57 -10.726 1.567 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.724 1.319 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.669 1.477 2.042 1.00 0.00 H new ATOM 708 N ARG A 58 -11.836 -0.784 1.198 1.00 0.00 N ATOM 709 CA ARG A 58 -11.562 -2.171 0.984 1.00 0.00 C ATOM 710 C ARG A 58 -10.575 -2.710 1.961 1.00 0.00 C ATOM 711 O ARG A 58 -10.615 -3.884 2.327 1.00 0.00 O ATOM 712 CB ARG A 58 -11.023 -2.370 -0.443 1.00 0.00 C ATOM 713 CG ARG A 58 -12.030 -2.064 -1.553 1.00 0.00 C ATOM 714 CD ARG A 58 -11.670 -0.855 -2.419 1.00 0.00 C ATOM 715 NE ARG A 58 -12.242 -1.148 -3.763 1.00 0.00 N ATOM 716 CZ ARG A 58 -13.311 -0.529 -4.344 1.00 0.00 C ATOM 717 NH1 ARG A 58 -13.777 0.702 -3.979 1.00 0.00 N ATOM 718 NH2 ARG A 58 -13.957 -1.166 -5.364 1.00 0.00 N ATOM 0 H ARG A 58 -11.394 -0.167 0.517 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.496 -2.716 1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.148 -1.734 -0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.687 -3.401 -0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.122 -2.940 -2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.008 -1.894 -1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.088 0.063 -2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.590 -0.718 -2.473 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.789 -1.885 -4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.319 1.218 -3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.583 1.105 -4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.638 -2.083 -5.676 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.759 -0.725 -5.815 1.00 0.00 H new ATOM 732 N ILE A 59 -9.651 -1.857 2.439 1.00 0.00 N ATOM 733 CA ILE A 59 -8.646 -2.206 3.395 1.00 0.00 C ATOM 734 C ILE A 59 -9.169 -2.447 4.769 1.00 0.00 C ATOM 735 O ILE A 59 -10.038 -1.740 5.276 1.00 0.00 O ATOM 736 CB ILE A 59 -7.507 -1.236 3.501 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.630 -0.032 2.553 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.208 -2.036 3.306 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.428 0.908 2.632 1.00 0.00 C ATOM 0 H ILE A 59 -9.602 -0.881 2.146 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.269 -3.140 2.979 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.513 -0.771 4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.738 -0.391 1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.536 0.523 2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.353 -1.364 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.133 -2.801 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.217 -2.511 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.570 1.739 1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.333 1.292 3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.522 0.364 2.363 1.00 0.00 H new ATOM 751 N HIS A 60 -8.604 -3.465 5.444 1.00 0.00 N ATOM 752 CA HIS A 60 -8.714 -3.664 6.856 1.00 0.00 C ATOM 753 C HIS A 60 -7.341 -3.993 7.332 1.00 0.00 C ATOM 754 O HIS A 60 -6.352 -3.784 6.631 1.00 0.00 O ATOM 755 CB HIS A 60 -9.706 -4.792 7.181 1.00 0.00 C ATOM 756 CG HIS A 60 -11.142 -4.400 7.000 1.00 0.00 C ATOM 757 ND1 HIS A 60 -11.882 -4.100 8.126 1.00 0.00 N ATOM 758 CD2 HIS A 60 -11.922 -4.331 5.889 1.00 0.00 C ATOM 759 CE1 HIS A 60 -13.096 -3.831 7.679 1.00 0.00 C ATOM 760 NE2 HIS A 60 -13.179 -3.969 6.329 1.00 0.00 N ATOM 0 H HIS A 60 -8.044 -4.183 4.983 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.099 -2.774 7.354 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.489 -5.650 6.544 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.553 -5.113 8.211 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.620 -4.521 4.870 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.922 -3.537 8.310 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -14.009 -3.832 5.753 1.00 0.00 H new ATOM 768 N LYS A 61 -7.185 -4.543 8.550 1.00 0.00 N ATOM 769 CA LYS A 61 -5.923 -5.050 8.992 1.00 0.00 C ATOM 770 C LYS A 61 -5.600 -6.333 8.305 1.00 0.00 C ATOM 771 O LYS A 61 -6.489 -7.083 7.905 1.00 0.00 O ATOM 772 CB LYS A 61 -5.902 -5.300 10.509 1.00 0.00 C ATOM 773 CG LYS A 61 -6.413 -4.156 11.387 1.00 0.00 C ATOM 774 CD LYS A 61 -6.271 -4.495 12.872 1.00 0.00 C ATOM 775 CE LYS A 61 -7.135 -3.688 13.843 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.579 -3.903 13.601 1.00 0.00 N ATOM 0 H LYS A 61 -7.938 -4.637 9.232 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.182 -4.290 8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.500 -6.187 10.719 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.878 -5.529 10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.856 -3.246 11.164 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.459 -3.955 11.155 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.505 -5.551 13.004 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.226 -4.362 13.154 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.892 -3.971 14.867 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.903 -2.628 13.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.125 -3.525 14.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.861 -3.415 12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.767 -4.921 13.504 1.00 0.00 H new ATOM 790 N GLY A 62 -4.306 -6.642 8.111 1.00 0.00 N ATOM 791 CA GLY A 62 -3.891 -7.896 7.564 1.00 0.00 C ATOM 792 C GLY A 62 -3.728 -7.926 6.083 1.00 0.00 C ATOM 793 O GLY A 62 -3.193 -8.893 5.543 1.00 0.00 O ATOM 0 H GLY A 62 -3.536 -6.012 8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.943 -8.177 8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.620 -8.656 7.848 1.00 0.00 H new ATOM 797 N ASP A 63 -4.172 -6.883 5.359 1.00 0.00 N ATOM 798 CA ASP A 63 -4.042 -6.811 3.937 1.00 0.00 C ATOM 799 C ASP A 63 -2.640 -6.523 3.521 1.00 0.00 C ATOM 800 O ASP A 63 -1.864 -5.881 4.225 1.00 0.00 O ATOM 801 CB ASP A 63 -5.013 -5.781 3.336 1.00 0.00 C ATOM 802 CG ASP A 63 -6.463 -6.202 3.527 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.790 -7.413 3.415 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.332 -5.324 3.776 1.00 0.00 O ATOM 0 H ASP A 63 -4.632 -6.071 5.771 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.306 -7.793 3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.850 -4.810 3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.805 -5.661 2.273 1.00 0.00 H new ATOM 809 N ARG A 64 -2.240 -7.040 2.345 1.00 0.00 N ATOM 810 CA ARG A 64 -0.888 -7.068 1.882 1.00 0.00 C ATOM 811 C ARG A 64 -0.680 -6.014 0.850 1.00 0.00 C ATOM 812 O ARG A 64 -1.212 -6.094 -0.256 1.00 0.00 O ATOM 813 CB ARG A 64 -0.581 -8.472 1.334 1.00 0.00 C ATOM 814 CG ARG A 64 0.835 -8.786 0.845 1.00 0.00 C ATOM 815 CD ARG A 64 1.077 -8.585 -0.652 1.00 0.00 C ATOM 816 NE ARG A 64 2.344 -9.270 -1.034 1.00 0.00 N ATOM 817 CZ ARG A 64 2.435 -10.583 -1.394 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.366 -11.428 -1.471 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.647 -11.126 -1.710 1.00 0.00 N ATOM 0 H ARG A 64 -2.894 -7.460 1.684 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.202 -6.858 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.826 -9.191 2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.264 -8.658 0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.537 -8.160 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.066 -9.821 1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.243 -8.989 -1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.139 -7.522 -0.884 1.00 0.00 H new ATOM 0 HE ARG A 64 3.203 -8.719 -1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.430 -11.087 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.503 -12.400 -1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.488 -10.550 -1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.711 -12.108 -1.979 1.00 0.00 H new ATOM 833 N VAL A 65 0.120 -4.971 1.137 1.00 0.00 N ATOM 834 CA VAL A 65 0.486 -3.997 0.157 1.00 0.00 C ATOM 835 C VAL A 65 1.659 -4.513 -0.602 1.00 0.00 C ATOM 836 O VAL A 65 2.733 -4.791 -0.072 1.00 0.00 O ATOM 837 CB VAL A 65 0.608 -2.588 0.660 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.529 -2.494 1.888 1.00 0.00 C ATOM 839 CG2 VAL A 65 1.056 -1.625 -0.452 1.00 0.00 C ATOM 0 H VAL A 65 0.518 -4.802 2.061 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.346 -3.876 -0.537 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.387 -2.279 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.589 -1.457 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.126 -3.109 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.525 -2.849 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.133 -0.615 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.027 -1.938 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.326 -1.638 -1.261 1.00 0.00 H new ATOM 849 N LEU A 66 1.471 -4.748 -1.913 1.00 0.00 N ATOM 850 CA LEU A 66 2.481 -5.268 -2.781 1.00 0.00 C ATOM 851 C LEU A 66 3.245 -4.175 -3.443 1.00 0.00 C ATOM 852 O LEU A 66 4.456 -4.302 -3.618 1.00 0.00 O ATOM 853 CB LEU A 66 1.953 -6.273 -3.820 1.00 0.00 C ATOM 854 CG LEU A 66 0.689 -5.887 -4.608 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.722 -6.521 -6.008 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.574 -6.358 -3.869 1.00 0.00 C ATOM 0 H LEU A 66 0.585 -4.570 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 66 3.157 -5.828 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.751 -6.464 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.754 -7.214 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 66 0.665 -4.801 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.178 -6.241 -6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.600 -6.167 -6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.767 -7.606 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.457 -6.076 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.546 -7.442 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.615 -5.891 -2.885 1.00 0.00 H new ATOM 868 N ALA A 67 2.592 -3.061 -3.824 1.00 0.00 N ATOM 869 CA ALA A 67 3.285 -2.043 -4.550 1.00 0.00 C ATOM 870 C ALA A 67 2.732 -0.680 -4.309 1.00 0.00 C ATOM 871 O ALA A 67 1.655 -0.501 -3.742 1.00 0.00 O ATOM 872 CB ALA A 67 3.237 -2.338 -6.058 1.00 0.00 C ATOM 0 H ALA A 67 1.608 -2.868 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 67 4.313 -2.055 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.768 -1.555 -6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.709 -3.300 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.199 -2.368 -6.390 1.00 0.00 H new ATOM 878 N VAL A 68 3.493 0.342 -4.740 1.00 0.00 N ATOM 879 CA VAL A 68 3.100 1.703 -4.553 1.00 0.00 C ATOM 880 C VAL A 68 3.493 2.532 -5.727 1.00 0.00 C ATOM 881 O VAL A 68 4.634 2.433 -6.176 1.00 0.00 O ATOM 882 CB VAL A 68 3.653 2.198 -3.249 1.00 0.00 C ATOM 883 CG1 VAL A 68 5.141 2.580 -3.331 1.00 0.00 C ATOM 884 CG2 VAL A 68 2.733 3.337 -2.775 1.00 0.00 C ATOM 0 H VAL A 68 4.385 0.224 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 68 2.015 1.782 -4.494 1.00 0.00 H new ATOM 0 HB VAL A 68 3.652 1.401 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.481 2.930 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.725 1.708 -3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.273 3.373 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.099 3.729 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.728 4.134 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.720 2.956 -2.644 1.00 0.00 H new ATOM 894 N ASN A 69 2.615 3.334 -6.356 1.00 0.00 N ATOM 895 CA ASN A 69 2.894 3.999 -7.591 1.00 0.00 C ATOM 896 C ASN A 69 3.386 3.165 -8.723 1.00 0.00 C ATOM 897 O ASN A 69 3.968 3.669 -9.682 1.00 0.00 O ATOM 898 CB ASN A 69 3.823 5.206 -7.375 1.00 0.00 C ATOM 899 CG ASN A 69 3.049 6.508 -7.235 1.00 0.00 C ATOM 900 OD1 ASN A 69 2.873 7.244 -8.205 1.00 0.00 O ATOM 901 ND2 ASN A 69 2.619 6.843 -5.988 1.00 0.00 N ATOM 0 H ASN A 69 1.681 3.526 -5.993 1.00 0.00 H new ATOM 0 HA ASN A 69 1.905 4.320 -7.918 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.424 5.044 -6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.515 5.285 -8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.134 7.728 -5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.781 6.209 -5.205 1.00 0.00 H new ATOM 908 N GLY A 70 3.179 1.836 -8.673 1.00 0.00 N ATOM 909 CA GLY A 70 3.734 0.892 -9.592 1.00 0.00 C ATOM 910 C GLY A 70 5.026 0.284 -9.165 1.00 0.00 C ATOM 911 O GLY A 70 5.639 -0.462 -9.927 1.00 0.00 O ATOM 0 H GLY A 70 2.597 1.400 -7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.009 0.094 -9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.882 1.386 -10.552 1.00 0.00 H new ATOM 915 N VAL A 71 5.498 0.556 -7.935 1.00 0.00 N ATOM 916 CA VAL A 71 6.758 0.131 -7.412 1.00 0.00 C ATOM 917 C VAL A 71 6.547 -0.931 -6.389 1.00 0.00 C ATOM 918 O VAL A 71 6.157 -0.659 -5.253 1.00 0.00 O ATOM 919 CB VAL A 71 7.557 1.230 -6.775 1.00 0.00 C ATOM 920 CG1 VAL A 71 8.983 0.738 -6.475 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.625 2.435 -7.729 1.00 0.00 C ATOM 0 H VAL A 71 4.964 1.108 -7.264 1.00 0.00 H new ATOM 0 HA VAL A 71 7.323 -0.234 -8.270 1.00 0.00 H new ATOM 0 HB VAL A 71 7.075 1.525 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.556 1.542 -6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.939 -0.113 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.467 0.436 -7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.205 3.233 -7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.101 2.134 -8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.616 2.793 -7.936 1.00 0.00 H new ATOM 931 N SER A 72 6.766 -2.209 -6.747 1.00 0.00 N ATOM 932 CA SER A 72 6.634 -3.313 -5.849 1.00 0.00 C ATOM 933 C SER A 72 7.659 -3.380 -4.768 1.00 0.00 C ATOM 934 O SER A 72 8.834 -3.060 -4.940 1.00 0.00 O ATOM 935 CB SER A 72 6.591 -4.688 -6.537 1.00 0.00 C ATOM 936 OG SER A 72 5.412 -4.863 -7.307 1.00 0.00 O ATOM 0 H SER A 72 7.043 -2.482 -7.690 1.00 0.00 H new ATOM 0 HA SER A 72 5.665 -3.099 -5.397 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.464 -4.798 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.650 -5.472 -5.783 1.00 0.00 H new ATOM 0 HG SER A 72 5.425 -5.748 -7.728 1.00 0.00 H new ATOM 942 N LEU A 73 7.219 -3.851 -3.588 1.00 0.00 N ATOM 943 CA LEU A 73 7.960 -4.025 -2.377 1.00 0.00 C ATOM 944 C LEU A 73 8.741 -5.293 -2.354 1.00 0.00 C ATOM 945 O LEU A 73 8.809 -6.007 -1.355 1.00 0.00 O ATOM 946 CB LEU A 73 6.955 -3.979 -1.213 1.00 0.00 C ATOM 947 CG LEU A 73 6.427 -2.569 -0.904 1.00 0.00 C ATOM 948 CD1 LEU A 73 4.996 -2.616 -0.340 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.334 -1.853 0.111 1.00 0.00 C ATOM 0 H LEU A 73 6.247 -4.138 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 73 8.698 -3.227 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.112 -4.629 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.430 -4.383 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 73 6.423 -2.019 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.653 -1.602 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.333 -3.081 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.987 -3.198 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.939 -0.857 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.366 -2.426 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.341 -1.768 -0.298 1.00 0.00 H new ATOM 961 N GLU A 74 9.419 -5.628 -3.465 1.00 0.00 N ATOM 962 CA GLU A 74 10.191 -6.826 -3.589 1.00 0.00 C ATOM 963 C GLU A 74 11.551 -6.639 -3.010 1.00 0.00 C ATOM 964 O GLU A 74 12.327 -5.792 -3.450 1.00 0.00 O ATOM 965 CB GLU A 74 10.339 -7.286 -5.048 1.00 0.00 C ATOM 966 CG GLU A 74 8.985 -7.418 -5.750 1.00 0.00 C ATOM 967 CD GLU A 74 9.102 -8.218 -7.039 1.00 0.00 C ATOM 968 OE1 GLU A 74 9.791 -7.752 -7.985 1.00 0.00 O ATOM 969 OE2 GLU A 74 8.506 -9.326 -7.091 1.00 0.00 O ATOM 0 H GLU A 74 9.431 -5.048 -4.304 1.00 0.00 H new ATOM 0 HA GLU A 74 9.647 -7.595 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.961 -6.574 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.856 -8.245 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.273 -7.904 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.590 -6.426 -5.970 1.00 0.00 H new ATOM 976 N GLY A 75 11.865 -7.416 -1.958 1.00 0.00 N ATOM 977 CA GLY A 75 13.042 -7.246 -1.163 1.00 0.00 C ATOM 978 C GLY A 75 12.890 -6.224 -0.091 1.00 0.00 C ATOM 979 O GLY A 75 13.861 -5.904 0.594 1.00 0.00 O ATOM 0 H GLY A 75 11.278 -8.191 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.306 -8.201 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.871 -6.961 -1.811 1.00 0.00 H new ATOM 983 N ALA A 76 11.680 -5.675 0.118 1.00 0.00 N ATOM 984 CA ALA A 76 11.481 -4.636 1.080 1.00 0.00 C ATOM 985 C ALA A 76 11.235 -5.144 2.458 1.00 0.00 C ATOM 986 O ALA A 76 10.471 -6.076 2.700 1.00 0.00 O ATOM 987 CB ALA A 76 10.408 -3.623 0.645 1.00 0.00 C ATOM 0 H ALA A 76 10.835 -5.953 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 76 12.429 -4.100 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.298 -2.857 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.707 -3.156 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.457 -4.137 0.507 1.00 0.00 H new ATOM 993 N THR A 77 11.930 -4.534 3.435 1.00 0.00 N ATOM 994 CA THR A 77 11.940 -4.828 4.835 1.00 0.00 C ATOM 995 C THR A 77 10.995 -3.896 5.514 1.00 0.00 C ATOM 996 O THR A 77 10.168 -3.259 4.865 1.00 0.00 O ATOM 997 CB THR A 77 13.306 -4.593 5.408 1.00 0.00 C ATOM 998 OG1 THR A 77 13.784 -3.280 5.152 1.00 0.00 O ATOM 999 CG2 THR A 77 14.314 -5.525 4.715 1.00 0.00 C ATOM 0 H THR A 77 12.549 -3.753 3.218 1.00 0.00 H new ATOM 0 HA THR A 77 11.655 -5.870 4.984 1.00 0.00 H new ATOM 0 HB THR A 77 13.220 -4.764 6.481 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.675 -3.174 5.545 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.308 -5.357 5.129 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.023 -6.562 4.879 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.326 -5.317 3.645 1.00 0.00 H new ATOM 1007 N HIS A 78 11.112 -3.694 6.839 1.00 0.00 N ATOM 1008 CA HIS A 78 10.486 -2.595 7.507 1.00 0.00 C ATOM 1009 C HIS A 78 11.021 -1.286 7.038 1.00 0.00 C ATOM 1010 O HIS A 78 10.262 -0.429 6.589 1.00 0.00 O ATOM 1011 CB HIS A 78 10.616 -2.672 9.038 1.00 0.00 C ATOM 1012 CG HIS A 78 10.082 -1.467 9.754 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.803 -0.773 10.689 1.00 0.00 N ATOM 1014 CD2 HIS A 78 8.930 -0.771 9.556 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.125 0.301 11.050 1.00 0.00 C ATOM 1016 NE2 HIS A 78 8.986 0.320 10.383 1.00 0.00 N ATOM 0 H HIS A 78 11.649 -4.303 7.456 1.00 0.00 H new ATOM 0 HA HIS A 78 9.429 -2.667 7.251 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.089 -3.557 9.394 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.667 -2.801 9.298 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.718 -1.043 11.049 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.128 -1.028 8.879 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.448 1.039 11.769 1.00 0.00 H new ATOM 1025 N LYS A 79 12.347 -1.072 7.118 1.00 0.00 N ATOM 1026 CA LYS A 79 12.975 0.156 6.740 1.00 0.00 C ATOM 1027 C LYS A 79 12.862 0.464 5.287 1.00 0.00 C ATOM 1028 O LYS A 79 12.627 1.601 4.880 1.00 0.00 O ATOM 1029 CB LYS A 79 14.454 0.134 7.163 1.00 0.00 C ATOM 1030 CG LYS A 79 14.649 0.005 8.675 1.00 0.00 C ATOM 1031 CD LYS A 79 16.117 -0.176 9.064 1.00 0.00 C ATOM 1032 CE LYS A 79 16.347 -0.609 10.514 1.00 0.00 C ATOM 1033 NZ LYS A 79 15.980 0.478 11.448 1.00 0.00 N ATOM 0 H LYS A 79 13.003 -1.776 7.457 1.00 0.00 H new ATOM 0 HA LYS A 79 12.442 0.951 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.954 -0.698 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.937 1.048 6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.254 0.894 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.072 -0.844 9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.565 -0.918 8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.643 0.763 8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.755 -1.498 10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.393 -0.880 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.143 0.165 12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.563 1.316 11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.976 0.718 11.324 1.00 0.00 H new ATOM 1047 N GLN A 80 12.974 -0.550 4.410 1.00 0.00 N ATOM 1048 CA GLN A 80 12.760 -0.374 3.008 1.00 0.00 C ATOM 1049 C GLN A 80 11.336 -0.139 2.633 1.00 0.00 C ATOM 1050 O GLN A 80 11.066 0.689 1.764 1.00 0.00 O ATOM 1051 CB GLN A 80 13.366 -1.582 2.275 1.00 0.00 C ATOM 1052 CG GLN A 80 14.000 -1.267 0.919 1.00 0.00 C ATOM 1053 CD GLN A 80 13.150 -1.616 -0.295 1.00 0.00 C ATOM 1054 OE1 GLN A 80 13.452 -2.569 -1.012 1.00 0.00 O ATOM 1055 NE2 GLN A 80 12.066 -0.839 -0.557 1.00 0.00 N ATOM 0 H GLN A 80 13.216 -1.504 4.678 1.00 0.00 H new ATOM 0 HA GLN A 80 13.262 0.543 2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.123 -2.034 2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.585 -2.328 2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.233 -0.203 0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.946 -1.803 0.846 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.840 -0.055 0.056 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.478 -1.040 -1.366 1.00 0.00 H new ATOM 1064 N ALA A 81 10.351 -0.786 3.280 1.00 0.00 N ATOM 1065 CA ALA A 81 8.970 -0.484 3.061 1.00 0.00 C ATOM 1066 C ALA A 81 8.570 0.889 3.482 1.00 0.00 C ATOM 1067 O ALA A 81 7.716 1.515 2.857 1.00 0.00 O ATOM 1068 CB ALA A 81 8.050 -1.457 3.817 1.00 0.00 C ATOM 0 H ALA A 81 10.513 -1.527 3.962 1.00 0.00 H new ATOM 0 HA ALA A 81 8.855 -0.574 1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.009 -1.196 3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.237 -2.475 3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.251 -1.391 4.886 1.00 0.00 H new ATOM 1074 N VAL A 82 9.188 1.418 4.553 1.00 0.00 N ATOM 1075 CA VAL A 82 9.004 2.777 4.957 1.00 0.00 C ATOM 1076 C VAL A 82 9.400 3.710 3.865 1.00 0.00 C ATOM 1077 O VAL A 82 8.542 4.459 3.402 1.00 0.00 O ATOM 1078 CB VAL A 82 9.654 3.143 6.258 1.00 0.00 C ATOM 1079 CG1 VAL A 82 9.621 4.655 6.534 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.886 2.434 7.386 1.00 0.00 C ATOM 0 H VAL A 82 9.827 0.892 5.149 1.00 0.00 H new ATOM 0 HA VAL A 82 7.936 2.881 5.148 1.00 0.00 H new ATOM 0 HB VAL A 82 10.699 2.838 6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.105 4.861 7.488 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.148 5.182 5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.586 4.996 6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.338 2.683 8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.846 2.760 7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.929 1.356 7.233 1.00 0.00 H new ATOM 1090 N GLU A 83 10.633 3.665 3.330 1.00 0.00 N ATOM 1091 CA GLU A 83 11.017 4.507 2.240 1.00 0.00 C ATOM 1092 C GLU A 83 10.124 4.501 1.046 1.00 0.00 C ATOM 1093 O GLU A 83 9.790 5.557 0.512 1.00 0.00 O ATOM 1094 CB GLU A 83 12.447 4.211 1.755 1.00 0.00 C ATOM 1095 CG GLU A 83 13.523 4.594 2.773 1.00 0.00 C ATOM 1096 CD GLU A 83 14.898 4.584 2.118 1.00 0.00 C ATOM 1097 OE1 GLU A 83 15.324 3.513 1.610 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.562 5.654 2.102 1.00 0.00 O ATOM 0 H GLU A 83 11.370 3.040 3.656 1.00 0.00 H new ATOM 0 HA GLU A 83 10.939 5.498 2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.533 3.148 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.627 4.751 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.313 5.584 3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.506 3.896 3.610 1.00 0.00 H new ATOM 1105 N THR A 84 9.661 3.315 0.615 1.00 0.00 N ATOM 1106 CA THR A 84 8.746 3.083 -0.459 1.00 0.00 C ATOM 1107 C THR A 84 7.446 3.800 -0.333 1.00 0.00 C ATOM 1108 O THR A 84 6.989 4.417 -1.295 1.00 0.00 O ATOM 1109 CB THR A 84 8.609 1.607 -0.688 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.868 1.099 -1.104 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.635 1.134 -1.780 1.00 0.00 C ATOM 0 H THR A 84 9.953 2.444 1.057 1.00 0.00 H new ATOM 0 HA THR A 84 9.172 3.531 -1.357 1.00 0.00 H new ATOM 0 HB THR A 84 8.222 1.249 0.266 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.797 0.134 -1.257 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.644 0.045 -1.829 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.628 1.479 -1.544 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.942 1.543 -2.743 1.00 0.00 H new ATOM 1119 N LEU A 85 6.784 3.804 0.838 1.00 0.00 N ATOM 1120 CA LEU A 85 5.546 4.481 1.068 1.00 0.00 C ATOM 1121 C LEU A 85 5.669 5.872 1.590 1.00 0.00 C ATOM 1122 O LEU A 85 4.871 6.753 1.275 1.00 0.00 O ATOM 1123 CB LEU A 85 4.782 3.630 2.096 1.00 0.00 C ATOM 1124 CG LEU A 85 4.264 2.310 1.500 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.227 1.189 2.552 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.858 2.497 0.906 1.00 0.00 C ATOM 0 H LEU A 85 7.128 3.312 1.663 1.00 0.00 H new ATOM 0 HA LEU A 85 5.041 4.586 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.436 3.412 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.941 4.204 2.485 1.00 0.00 H new ATOM 0 HG LEU A 85 4.957 2.021 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.856 0.272 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.232 1.020 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.567 1.479 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.510 1.552 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.173 2.823 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.893 3.249 0.118 1.00 0.00 H new ATOM 1138 N ARG A 86 6.711 6.151 2.394 1.00 0.00 N ATOM 1139 CA ARG A 86 6.951 7.406 3.037 1.00 0.00 C ATOM 1140 C ARG A 86 7.551 8.423 2.130 1.00 0.00 C ATOM 1141 O ARG A 86 7.049 9.545 2.071 1.00 0.00 O ATOM 1142 CB ARG A 86 7.834 7.182 4.278 1.00 0.00 C ATOM 1143 CG ARG A 86 8.088 8.403 5.163 1.00 0.00 C ATOM 1144 CD ARG A 86 9.424 9.067 4.826 1.00 0.00 C ATOM 1145 NE ARG A 86 9.541 10.241 5.737 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.678 10.624 6.386 1.00 0.00 C ATOM 1147 NH1 ARG A 86 11.907 10.105 6.101 1.00 0.00 N ATOM 1148 NH2 ARG A 86 10.558 11.582 7.351 1.00 0.00 N ATOM 0 H ARG A 86 7.429 5.458 2.607 1.00 0.00 H new ATOM 0 HA ARG A 86 5.985 7.812 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.372 6.407 4.890 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.797 6.795 3.946 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.279 9.122 5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.083 8.102 6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.252 8.374 4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.452 9.379 3.782 1.00 0.00 H new ATOM 0 HE ARG A 86 8.703 10.803 5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.005 9.397 5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.728 10.425 6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.644 11.982 7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.383 11.898 7.861 1.00 0.00 H new ATOM 1162 N ASN A 87 8.632 8.127 1.386 1.00 0.00 N ATOM 1163 CA ASN A 87 9.350 9.122 0.652 1.00 0.00 C ATOM 1164 C ASN A 87 8.849 9.252 -0.746 1.00 0.00 C ATOM 1165 O ASN A 87 9.590 9.205 -1.726 1.00 0.00 O ATOM 1166 CB ASN A 87 10.865 8.856 0.696 1.00 0.00 C ATOM 1167 CG ASN A 87 11.670 10.114 0.406 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.147 11.222 0.291 1.00 0.00 O ATOM 1169 ND2 ASN A 87 13.019 9.975 0.303 1.00 0.00 N ATOM 0 H ASN A 87 9.012 7.185 1.293 1.00 0.00 H new ATOM 0 HA ASN A 87 9.170 10.081 1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.137 8.469 1.678 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.120 8.086 -0.032 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.604 10.792 0.129 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.446 9.054 0.399 1.00 0.00 H new ATOM 1176 N THR A 88 7.524 9.437 -0.886 1.00 0.00 N ATOM 1177 CA THR A 88 6.800 9.633 -2.104 1.00 0.00 C ATOM 1178 C THR A 88 6.609 11.086 -2.374 1.00 0.00 C ATOM 1179 O THR A 88 7.270 11.922 -1.762 1.00 0.00 O ATOM 1180 CB THR A 88 5.494 8.901 -2.010 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.709 9.348 -0.915 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.812 7.428 -1.704 1.00 0.00 C ATOM 0 H THR A 88 6.907 9.450 -0.074 1.00 0.00 H new ATOM 0 HA THR A 88 7.365 9.231 -2.945 1.00 0.00 H new ATOM 0 HB THR A 88 4.955 9.060 -2.944 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.041 8.666 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.883 6.863 -1.628 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.424 7.014 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.355 7.361 -0.761 1.00 0.00 H new ATOM 1190 N GLY A 89 5.707 11.479 -3.290 1.00 0.00 N ATOM 1191 CA GLY A 89 5.399 12.850 -3.556 1.00 0.00 C ATOM 1192 C GLY A 89 4.154 13.295 -2.869 1.00 0.00 C ATOM 1193 O GLY A 89 4.190 14.019 -1.876 1.00 0.00 O ATOM 0 H GLY A 89 5.176 10.824 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.232 13.476 -3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.289 12.993 -4.631 1.00 0.00 H new ATOM 1197 N GLN A 90 2.979 12.889 -3.384 1.00 0.00 N ATOM 1198 CA GLN A 90 1.724 13.249 -2.801 1.00 0.00 C ATOM 1199 C GLN A 90 0.711 12.188 -3.063 1.00 0.00 C ATOM 1200 O GLN A 90 0.186 11.591 -2.124 1.00 0.00 O ATOM 1201 CB GLN A 90 1.217 14.611 -3.306 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.074 15.067 -2.624 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.482 16.461 -3.080 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.897 16.675 -4.219 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.371 17.456 -2.161 1.00 0.00 N ATOM 0 H GLN A 90 2.899 12.304 -4.215 1.00 0.00 H new ATOM 0 HA GLN A 90 1.879 13.342 -1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.990 15.362 -3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.050 14.553 -4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.874 14.361 -2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.063 15.062 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.024 17.249 -1.225 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.635 18.410 -2.408 1.00 0.00 H new ATOM 1214 N VAL A 91 0.405 11.888 -4.338 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.446 10.789 -4.670 1.00 0.00 C ATOM 1216 C VAL A 91 0.258 9.494 -4.447 1.00 0.00 C ATOM 1217 O VAL A 91 1.343 9.220 -4.958 1.00 0.00 O ATOM 1218 CB VAL A 91 -1.052 10.802 -6.042 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.650 9.446 -6.453 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -2.167 11.862 -6.008 1.00 0.00 C ATOM 0 H VAL A 91 0.750 12.411 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.291 10.905 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.276 11.023 -6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.072 9.523 -7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.868 8.686 -6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.434 9.166 -5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.647 11.917 -6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.906 11.588 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.739 12.833 -5.759 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.389 8.639 -3.635 1.00 0.00 N ATOM 1231 CA VAL A 92 0.089 7.326 -3.332 1.00 0.00 C ATOM 1232 C VAL A 92 -0.922 6.366 -3.860 1.00 0.00 C ATOM 1233 O VAL A 92 -1.987 6.158 -3.282 1.00 0.00 O ATOM 1234 CB VAL A 92 0.321 7.182 -1.857 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.676 5.725 -1.520 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.489 8.107 -1.474 1.00 0.00 C ATOM 0 H VAL A 92 -1.271 8.868 -3.176 1.00 0.00 H new ATOM 0 HA VAL A 92 1.053 7.126 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.578 7.452 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.843 5.630 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.144 5.072 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.582 5.438 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.683 8.025 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.381 7.815 -2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.232 9.138 -1.718 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.620 5.726 -5.004 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.352 4.578 -5.442 1.00 0.00 C ATOM 1248 C HIS A 93 -0.996 3.390 -4.617 1.00 0.00 C ATOM 1249 O HIS A 93 0.126 2.899 -4.726 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.103 4.178 -6.906 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.384 5.283 -7.881 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.397 6.197 -8.187 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.513 5.536 -8.597 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -0.944 7.003 -9.078 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -2.224 6.645 -9.366 1.00 0.00 N ATOM 0 H HIS A 93 0.136 6.006 -5.629 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.397 4.870 -5.337 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.066 3.860 -7.017 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.728 3.319 -7.152 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.441 4.984 -8.569 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.436 7.845 -9.524 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.851 7.108 -10.024 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.905 2.882 -3.765 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.671 1.738 -2.940 1.00 0.00 C ATOM 1265 C LEU A 94 -2.124 0.522 -3.671 1.00 0.00 C ATOM 1266 O LEU A 94 -3.318 0.298 -3.868 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.431 1.833 -1.605 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.812 2.689 -0.487 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.302 2.208 0.889 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.279 2.580 -0.448 1.00 0.00 C ATOM 0 H LEU A 94 -2.836 3.282 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.605 1.688 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.427 2.224 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.560 0.821 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.113 3.715 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.855 2.823 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.388 2.291 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.011 1.168 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.110 3.202 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.008 1.543 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.134 2.918 -1.399 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.172 -0.331 -4.090 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.482 -1.598 -4.673 1.00 0.00 C ATOM 1284 C LEU A 95 -1.589 -2.613 -3.586 1.00 0.00 C ATOM 1285 O LEU A 95 -0.597 -3.164 -3.111 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.420 -1.994 -5.712 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.020 -2.581 -7.001 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.112 -3.075 -7.918 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.033 -3.706 -6.732 1.00 0.00 C ATOM 0 H LEU A 95 -0.173 -0.138 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.435 -1.539 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.177 -1.117 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.257 -2.724 -5.269 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.575 -1.784 -7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.314 -3.491 -8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.766 -2.240 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.688 -3.844 -7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.422 -4.080 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.541 -4.518 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.855 -3.319 -6.130 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.835 -2.845 -3.138 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.191 -3.677 -2.031 1.00 0.00 C ATOM 1303 C LEU A 96 -3.773 -4.961 -2.516 1.00 0.00 C ATOM 1304 O LEU A 96 -4.558 -4.989 -3.461 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.240 -2.965 -1.160 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.679 -1.790 -0.343 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.720 -0.666 -0.199 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.199 -2.269 1.037 1.00 0.00 C ATOM 0 H LEU A 96 -3.650 -2.421 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.292 -3.877 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.042 -2.599 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.684 -3.690 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.823 -1.385 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.295 0.151 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.000 -0.300 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.604 -1.052 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.806 -1.422 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.035 -2.709 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.415 -3.016 0.911 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.400 -6.080 -1.869 1.00 0.00 N ATOM 1321 CA GLU A 97 -3.959 -7.386 -2.033 1.00 0.00 C ATOM 1322 C GLU A 97 -4.760 -7.702 -0.818 1.00 0.00 C ATOM 1323 O GLU A 97 -4.360 -7.462 0.320 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.840 -8.433 -2.162 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.202 -9.911 -1.997 1.00 0.00 C ATOM 1326 CD GLU A 97 -1.954 -10.703 -1.636 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.024 -10.794 -2.480 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -1.893 -11.235 -0.495 1.00 0.00 O ATOM 0 H GLU A 97 -2.650 -6.069 -1.178 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.575 -7.407 -2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.383 -8.311 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.075 -8.194 -1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.957 -10.027 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.635 -10.295 -2.921 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.950 -8.285 -1.048 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.892 -8.605 -0.020 1.00 0.00 C ATOM 1337 C LYS A 98 -6.568 -9.859 0.718 1.00 0.00 C ATOM 1338 O LYS A 98 -6.406 -10.929 0.133 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.283 -8.703 -0.667 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.455 -8.704 0.317 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.590 -7.389 1.087 1.00 0.00 C ATOM 1342 CE LYS A 98 -9.933 -7.592 2.564 1.00 0.00 C ATOM 1343 NZ LYS A 98 -9.776 -6.335 3.330 1.00 0.00 N ATOM 0 H LYS A 98 -6.268 -8.543 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.858 -7.813 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.407 -7.867 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.327 -9.615 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.379 -8.896 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.327 -9.522 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.656 -6.832 1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.364 -6.779 0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.958 -7.951 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.287 -8.361 2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.966 -6.516 4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.805 -5.980 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.447 -5.625 2.973 1.00 0.00 H new ATOM 1357 N GLY A 99 -6.486 -9.795 2.059 1.00 0.00 N ATOM 1358 CA GLY A 99 -6.184 -10.901 2.913 1.00 0.00 C ATOM 1359 C GLY A 99 -7.371 -11.726 3.273 1.00 0.00 C ATOM 1360 O GLY A 99 -7.680 -11.938 4.445 1.00 0.00 O ATOM 0 H GLY A 99 -6.638 -8.927 2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.447 -11.537 2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.723 -10.527 3.827 1.00 0.00 H new ATOM 1364 N GLN A 100 -8.081 -12.241 2.254 1.00 0.00 N ATOM 1365 CA GLN A 100 -9.246 -13.062 2.372 1.00 0.00 C ATOM 1366 C GLN A 100 -8.960 -14.457 1.933 1.00 0.00 C ATOM 1367 O GLN A 100 -8.101 -14.692 1.085 1.00 0.00 O ATOM 1368 CB GLN A 100 -10.407 -12.467 1.558 1.00 0.00 C ATOM 1369 CG GLN A 100 -11.289 -11.527 2.382 1.00 0.00 C ATOM 1370 CD GLN A 100 -12.205 -12.323 3.302 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -12.019 -12.401 4.515 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -13.231 -12.963 2.680 1.00 0.00 N ATOM 0 H GLN A 100 -7.823 -12.072 1.282 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.537 -13.091 3.422 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.004 -11.924 0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.019 -13.277 1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.664 -10.857 2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.886 -10.903 1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.351 -12.873 1.671 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.880 -13.533 3.222 1.00 0.00 H new ATOM 1381 N VAL A 101 -9.684 -15.434 2.506 1.00 0.00 N ATOM 1382 CA VAL A 101 -9.512 -16.839 2.300 1.00 0.00 C ATOM 1383 C VAL A 101 -10.712 -17.333 1.566 1.00 0.00 C ATOM 1384 O VAL A 101 -11.780 -16.791 1.847 1.00 0.00 O ATOM 1385 CB VAL A 101 -9.336 -17.545 3.612 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -8.956 -19.023 3.417 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -8.207 -16.868 4.408 1.00 0.00 C ATOM 0 H VAL A 101 -10.441 -15.228 3.158 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.614 -17.039 1.715 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.286 -17.490 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.837 -19.500 4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -9.742 -19.530 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.019 -19.088 2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -8.077 -17.379 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.279 -16.920 3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.464 -15.824 4.588 1.00 0.00 H new ATOM 1397 N PRO A 102 -10.689 -18.277 0.673 1.00 0.00 N ATOM 1398 CA PRO A 102 -11.859 -18.668 -0.059 1.00 0.00 C ATOM 1399 C PRO A 102 -12.931 -19.310 0.751 1.00 0.00 C ATOM 1400 O PRO A 102 -12.642 -20.187 1.608 1.00 0.00 O ATOM 1401 CB PRO A 102 -11.364 -19.665 -1.106 1.00 0.00 C ATOM 1402 CG PRO A 102 -9.893 -19.286 -1.338 1.00 0.00 C ATOM 1403 CD PRO A 102 -9.472 -18.772 0.048 1.00 0.00 C ATOM 1404 OXT PRO A 102 -14.131 -18.994 0.528 1.00 0.00 O ATOM 0 HA PRO A 102 -12.323 -17.770 -0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.458 -20.691 -0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.942 -19.592 -2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.296 -20.142 -1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.785 -18.521 -2.107 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.024 -19.569 0.641 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.727 -17.981 -0.038 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 11.951 -4.196 16.218 1.00 0.00 N ATOM 1414 CA TYR B 205 10.776 -3.384 16.278 1.00 0.00 C ATOM 1415 C TYR B 205 10.405 -2.955 14.900 1.00 0.00 C ATOM 1416 O TYR B 205 11.218 -2.956 13.978 1.00 0.00 O ATOM 1417 CB TYR B 205 11.004 -2.226 17.264 1.00 0.00 C ATOM 1418 CG TYR B 205 9.779 -1.430 17.560 1.00 0.00 C ATOM 1419 CD1 TYR B 205 8.730 -1.974 18.262 1.00 0.00 C ATOM 1420 CD2 TYR B 205 9.687 -0.133 17.113 1.00 0.00 C ATOM 1421 CE1 TYR B 205 7.590 -1.241 18.495 1.00 0.00 C ATOM 1422 CE2 TYR B 205 8.551 0.606 17.343 1.00 0.00 C ATOM 1423 CZ TYR B 205 7.494 0.046 18.021 1.00 0.00 C ATOM 1424 OH TYR B 205 6.306 0.786 18.198 1.00 0.00 O ATOM 0 HA TYR B 205 9.923 -3.943 16.663 1.00 0.00 H new ATOM 0 HB2 TYR B 205 11.397 -2.629 18.197 1.00 0.00 H new ATOM 0 HB3 TYR B 205 11.767 -1.562 16.858 1.00 0.00 H new ATOM 0 HD1 TYR B 205 8.802 -2.985 18.634 1.00 0.00 H new ATOM 0 HD2 TYR B 205 10.514 0.309 16.577 1.00 0.00 H new ATOM 0 HE1 TYR B 205 6.771 -1.676 19.049 1.00 0.00 H new ATOM 0 HE2 TYR B 205 8.489 1.625 16.992 1.00 0.00 H new ATOM 0 HH TYR B 205 6.413 1.676 17.803 1.00 0.00 H new ATOM 1434 N LEU B 206 9.129 -2.592 14.680 1.00 0.00 N ATOM 1435 CA LEU B 206 8.630 -2.183 13.404 1.00 0.00 C ATOM 1436 C LEU B 206 7.525 -1.204 13.597 1.00 0.00 C ATOM 1437 O LEU B 206 7.538 -0.459 14.575 1.00 0.00 O ATOM 1438 CB LEU B 206 8.263 -3.356 12.478 1.00 0.00 C ATOM 1439 CG LEU B 206 6.981 -4.180 12.693 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.149 -5.450 11.843 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.723 -4.593 14.151 1.00 0.00 C ATOM 0 H LEU B 206 8.421 -2.583 15.414 1.00 0.00 H new ATOM 0 HA LEU B 206 9.437 -1.684 12.867 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.217 -2.957 11.465 1.00 0.00 H new ATOM 0 HB3 LEU B 206 9.098 -4.056 12.507 1.00 0.00 H new ATOM 0 HG LEU B 206 6.127 -3.564 12.411 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.267 -6.081 11.953 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.269 -5.173 10.796 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.030 -5.997 12.177 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.800 -5.169 14.208 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.553 -5.202 14.509 1.00 0.00 H new ATOM 0 HD23 LEU B 206 6.633 -3.701 14.771 1.00 0.00 H new ATOM 1453 N VAL B 207 6.540 -1.156 12.681 1.00 0.00 N ATOM 1454 CA VAL B 207 5.344 -0.382 12.796 1.00 0.00 C ATOM 1455 C VAL B 207 5.580 1.088 12.736 1.00 0.00 C ATOM 1456 O VAL B 207 6.090 1.747 13.640 1.00 0.00 O ATOM 1457 CB VAL B 207 4.384 -0.909 13.822 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.498 0.179 14.451 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.544 -2.034 13.194 1.00 0.00 C ATOM 0 H VAL B 207 6.582 -1.688 11.812 1.00 0.00 H new ATOM 0 HA VAL B 207 4.768 -0.534 11.883 1.00 0.00 H new ATOM 0 HB VAL B 207 4.970 -1.306 14.651 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.829 -0.274 15.183 1.00 0.00 H new ATOM 0 HG12 VAL B 207 4.127 0.920 14.944 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.909 0.663 13.672 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.844 -2.422 13.934 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.990 -1.642 12.341 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.202 -2.837 12.861 1.00 0.00 H new ATOM 1469 N THR B 208 5.232 1.657 11.568 1.00 0.00 N ATOM 1470 CA THR B 208 5.483 3.026 11.237 1.00 0.00 C ATOM 1471 C THR B 208 4.194 3.454 10.625 1.00 0.00 C ATOM 1472 O THR B 208 3.747 2.817 9.673 1.00 0.00 O ATOM 1473 CB THR B 208 6.542 3.224 10.192 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.801 2.766 10.664 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.746 4.702 9.821 1.00 0.00 C ATOM 0 H THR B 208 4.757 1.144 10.825 1.00 0.00 H new ATOM 0 HA THR B 208 5.821 3.568 12.120 1.00 0.00 H new ATOM 0 HB THR B 208 6.196 2.664 9.323 1.00 0.00 H new ATOM 0 HG1 THR B 208 7.789 1.788 10.733 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.524 4.782 9.061 1.00 0.00 H new ATOM 0 HG22 THR B 208 5.814 5.111 9.431 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.045 5.262 10.707 1.00 0.00 H new ATOM 1483 N SER B 209 3.579 4.519 11.172 1.00 0.00 N ATOM 1484 CA SER B 209 2.481 5.216 10.579 1.00 0.00 C ATOM 1485 C SER B 209 2.980 5.963 9.391 1.00 0.00 C ATOM 1486 O SER B 209 3.905 6.767 9.493 1.00 0.00 O ATOM 1487 CB SER B 209 1.818 6.244 11.512 1.00 0.00 C ATOM 1488 OG SER B 209 1.431 5.651 12.742 1.00 0.00 O ATOM 0 H SER B 209 3.862 4.912 12.070 1.00 0.00 H new ATOM 0 HA SER B 209 1.736 4.460 10.331 1.00 0.00 H new ATOM 0 HB2 SER B 209 2.510 7.064 11.703 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.944 6.672 11.022 1.00 0.00 H new ATOM 0 HG SER B 209 1.014 6.328 13.315 1.00 0.00 H new ATOM 1494 N VAL B 210 2.422 5.692 8.196 1.00 0.00 N ATOM 1495 CA VAL B 210 2.989 6.124 6.956 1.00 0.00 C ATOM 1496 C VAL B 210 1.777 6.376 6.068 1.00 0.00 C ATOM 1497 O VAL B 210 0.683 5.814 6.338 1.00 0.00 O ATOM 1498 CB VAL B 210 3.925 5.108 6.374 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.186 3.817 5.984 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.663 5.725 5.174 1.00 0.00 C ATOM 1501 OXT VAL B 210 1.907 7.231 5.152 1.00 0.00 O ATOM 0 H VAL B 210 1.558 5.161 8.090 1.00 0.00 H new ATOM 0 HA VAL B 210 3.609 7.013 7.070 1.00 0.00 H new ATOM 0 HB VAL B 210 4.658 4.827 7.131 1.00 0.00 H new ATOM 0 HG11 VAL B 210 3.896 3.104 5.566 1.00 0.00 H new ATOM 0 HG12 VAL B 210 2.716 3.386 6.868 1.00 0.00 H new ATOM 0 HG13 VAL B 210 2.421 4.046 5.242 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.345 4.989 4.748 1.00 0.00 H new ATOM 0 HG22 VAL B 210 3.939 6.028 4.418 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.230 6.596 5.504 1.00 0.00 H new TER 1511 VAL B 210