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 78 HIS : no HE2:sc= 0.0997 K(o=1.4,f=-6.1!) USER MOD Set 1.2: B 208 THR OG1 : rot 91:sc= 1.28 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0566) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0462 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 24:sc= 1.17 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 34 ASN : amide:sc= 0.853 K(o=0.85,f=-5.1!) USER MOD Single : A 35 THR OG1 : rot -38:sc= 0.246 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) 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+ -175:sc= 0 (180deg=-0.02) USER MOD Single : A 55 SER OG : rot -44:sc= 0.398 USER MOD Single : A 60 HIS : no HD1:sc= -1.24! C(o=-1.2!,f=-3.2!) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0195) USER MOD Single : A 69 ASN : amide:sc= 0.00443 K(o=0.0044,f=-2.8!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.479 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= 1.22 USER MOD Single : A 87 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 88 THR OG1 : rot -109:sc= 0.922 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-4.6!) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= 0.0874 (180deg=0.0195) USER MOD Single : A 100 GLN : amide:sc= -0.405 X(o=-0.41,f=0) 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 -11.564 -15.326 -8.009 1.00 0.00 N ATOM 2 CA MET A 8 -10.950 -14.657 -6.903 1.00 0.00 C ATOM 3 C MET A 8 -11.501 -15.159 -5.613 1.00 0.00 C ATOM 4 O MET A 8 -12.471 -15.915 -5.574 1.00 0.00 O ATOM 5 CB MET A 8 -11.129 -13.131 -6.975 1.00 0.00 C ATOM 6 CG MET A 8 -10.632 -12.463 -8.258 1.00 0.00 C ATOM 7 SD MET A 8 -11.822 -12.460 -9.632 1.00 0.00 S ATOM 8 CE MET A 8 -10.917 -11.218 -10.601 1.00 0.00 C ATOM 0 HA MET A 8 -9.884 -14.876 -6.957 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.188 -12.902 -6.855 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.608 -12.683 -6.129 1.00 0.00 H new ATOM 0 HG2 MET A 8 -10.359 -11.432 -8.031 1.00 0.00 H new ATOM 0 HG3 MET A 8 -9.723 -12.969 -8.585 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.451 -11.023 -11.531 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.839 -10.295 -10.027 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.918 -11.590 -10.827 1.00 0.00 H new ATOM 18 N LYS A 9 -10.920 -14.732 -4.477 1.00 0.00 N ATOM 19 CA LYS A 9 -11.541 -14.854 -3.194 1.00 0.00 C ATOM 20 C LYS A 9 -11.677 -13.465 -2.675 1.00 0.00 C ATOM 21 O LYS A 9 -11.223 -12.563 -3.378 1.00 0.00 O ATOM 22 CB LYS A 9 -10.712 -15.741 -2.252 1.00 0.00 C ATOM 23 CG LYS A 9 -10.730 -17.217 -2.656 1.00 0.00 C ATOM 24 CD LYS A 9 -10.222 -18.168 -1.570 1.00 0.00 C ATOM 25 CE LYS A 9 -8.723 -18.119 -1.266 1.00 0.00 C ATOM 26 NZ LYS A 9 -7.933 -18.542 -2.443 1.00 0.00 N ATOM 0 H LYS A 9 -10.000 -14.293 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.514 -15.340 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.682 -15.385 -2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.096 -15.643 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.749 -17.497 -2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.120 -17.345 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.764 -17.954 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.478 -19.187 -1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.439 -17.107 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.498 -18.768 -0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.930 -18.615 -2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.272 -19.467 -2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.041 -17.841 -3.204 1.00 0.00 H new ATOM 40 N PRO A 10 -12.240 -13.146 -1.547 1.00 0.00 N ATOM 41 CA PRO A 10 -12.124 -11.832 -0.983 1.00 0.00 C ATOM 42 C PRO A 10 -10.736 -11.533 -0.535 1.00 0.00 C ATOM 43 O PRO A 10 -10.323 -11.878 0.571 1.00 0.00 O ATOM 44 CB PRO A 10 -13.122 -11.807 0.172 1.00 0.00 C ATOM 45 CG PRO A 10 -14.181 -12.838 -0.249 1.00 0.00 C ATOM 46 CD PRO A 10 -13.321 -13.908 -0.940 1.00 0.00 C ATOM 0 HA PRO A 10 -12.343 -11.058 -1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.650 -12.078 1.116 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.557 -10.816 0.306 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.724 -13.240 0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.922 -12.410 -0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.943 -14.640 -0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.892 -14.458 -1.688 1.00 0.00 H new ATOM 54 N GLY A 11 -9.965 -10.888 -1.430 1.00 0.00 N ATOM 55 CA GLY A 11 -8.549 -11.085 -1.460 1.00 0.00 C ATOM 56 C GLY A 11 -8.041 -10.883 -2.846 1.00 0.00 C ATOM 57 O GLY A 11 -7.334 -11.726 -3.397 1.00 0.00 O ATOM 0 H GLY A 11 -10.320 -10.234 -2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.061 -10.388 -0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.305 -12.090 -1.116 1.00 0.00 H new ATOM 61 N ASP A 12 -8.421 -9.745 -3.454 1.00 0.00 N ATOM 62 CA ASP A 12 -8.136 -9.390 -4.810 1.00 0.00 C ATOM 63 C ASP A 12 -7.526 -8.031 -4.833 1.00 0.00 C ATOM 64 O ASP A 12 -7.634 -7.282 -3.863 1.00 0.00 O ATOM 65 CB ASP A 12 -9.421 -9.533 -5.642 1.00 0.00 C ATOM 66 CG ASP A 12 -10.523 -8.599 -5.166 1.00 0.00 C ATOM 67 OD1 ASP A 12 -11.176 -8.904 -4.132 1.00 0.00 O ATOM 68 OD2 ASP A 12 -10.735 -7.540 -5.815 1.00 0.00 O ATOM 0 H ASP A 12 -8.961 -9.029 -2.968 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.405 -10.057 -5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.199 -9.325 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.773 -10.563 -5.589 1.00 0.00 H new ATOM 73 N THR A 13 -6.812 -7.663 -5.912 1.00 0.00 N ATOM 74 CA THR A 13 -6.064 -6.450 -6.032 1.00 0.00 C ATOM 75 C THR A 13 -6.852 -5.221 -6.330 1.00 0.00 C ATOM 76 O THR A 13 -7.613 -5.142 -7.293 1.00 0.00 O ATOM 77 CB THR A 13 -4.962 -6.604 -7.039 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.397 -7.274 -8.213 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.878 -7.476 -6.384 1.00 0.00 C ATOM 0 H THR A 13 -6.754 -8.245 -6.747 1.00 0.00 H new ATOM 0 HA THR A 13 -5.661 -6.290 -5.032 1.00 0.00 H new ATOM 0 HB THR A 13 -4.607 -5.614 -7.325 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.649 -7.351 -8.842 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.053 -7.616 -7.082 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.512 -6.985 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.300 -8.446 -6.122 1.00 0.00 H new ATOM 87 N PHE A 14 -6.678 -4.187 -5.487 1.00 0.00 N ATOM 88 CA PHE A 14 -7.189 -2.856 -5.597 1.00 0.00 C ATOM 89 C PHE A 14 -6.049 -1.901 -5.691 1.00 0.00 C ATOM 90 O PHE A 14 -5.133 -1.928 -4.870 1.00 0.00 O ATOM 91 CB PHE A 14 -8.197 -2.424 -4.519 1.00 0.00 C ATOM 92 CG PHE A 14 -7.945 -2.802 -3.100 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.723 -4.099 -2.701 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.043 -1.847 -2.115 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.453 -4.416 -1.391 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.755 -2.137 -0.802 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.454 -3.427 -0.436 1.00 0.00 C ATOM 0 H PHE A 14 -6.120 -4.299 -4.640 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.785 -2.845 -6.510 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.278 -1.338 -4.561 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.170 -2.827 -4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.762 -4.889 -3.436 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.353 -0.847 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.241 -5.438 -1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.765 -1.352 -0.060 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.220 -3.662 0.592 1.00 0.00 H new ATOM 107 N GLU A 15 -6.020 -1.042 -6.726 1.00 0.00 N ATOM 108 CA GLU A 15 -4.944 -0.149 -7.027 1.00 0.00 C ATOM 109 C GLU A 15 -5.261 1.235 -6.573 1.00 0.00 C ATOM 110 O GLU A 15 -5.458 2.148 -7.373 1.00 0.00 O ATOM 111 CB GLU A 15 -4.677 -0.104 -8.540 1.00 0.00 C ATOM 112 CG GLU A 15 -4.193 -1.421 -9.151 1.00 0.00 C ATOM 113 CD GLU A 15 -4.196 -1.351 -10.672 1.00 0.00 C ATOM 114 OE1 GLU A 15 -3.566 -0.434 -11.262 1.00 0.00 O ATOM 115 OE2 GLU A 15 -4.851 -2.224 -11.302 1.00 0.00 O ATOM 0 H GLU A 15 -6.791 -0.967 -7.390 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.063 -0.520 -6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.593 0.199 -9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.933 0.667 -8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.187 -1.643 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.835 -2.237 -8.820 1.00 0.00 H new ATOM 122 N VAL A 16 -5.352 1.460 -5.250 1.00 0.00 N ATOM 123 CA VAL A 16 -5.940 2.636 -4.686 1.00 0.00 C ATOM 124 C VAL A 16 -5.103 3.868 -4.716 1.00 0.00 C ATOM 125 O VAL A 16 -4.115 3.985 -3.994 1.00 0.00 O ATOM 126 CB VAL A 16 -6.332 2.443 -3.251 1.00 0.00 C ATOM 127 CG1 VAL A 16 -7.474 3.433 -2.967 1.00 0.00 C ATOM 128 CG2 VAL A 16 -6.764 0.991 -2.988 1.00 0.00 C ATOM 0 H VAL A 16 -5.006 0.803 -4.551 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.799 2.785 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.489 2.633 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.795 3.330 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.124 4.451 -3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.313 3.220 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.043 0.878 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.618 0.745 -3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.938 0.318 -3.218 1.00 0.00 H new ATOM 138 N GLU A 17 -5.479 4.899 -5.494 1.00 0.00 N ATOM 139 CA GLU A 17 -4.781 6.147 -5.511 1.00 0.00 C ATOM 140 C GLU A 17 -5.379 7.118 -4.552 1.00 0.00 C ATOM 141 O GLU A 17 -6.543 7.503 -4.657 1.00 0.00 O ATOM 142 CB GLU A 17 -4.660 6.694 -6.943 1.00 0.00 C ATOM 143 CG GLU A 17 -4.695 8.216 -7.101 1.00 0.00 C ATOM 144 CD GLU A 17 -4.545 8.706 -8.534 1.00 0.00 C ATOM 145 OE1 GLU A 17 -4.549 7.899 -9.503 1.00 0.00 O ATOM 146 OE2 GLU A 17 -4.473 9.953 -8.698 1.00 0.00 O ATOM 0 H GLU A 17 -6.282 4.865 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.762 5.978 -5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.726 6.329 -7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.469 6.271 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.638 8.589 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.898 8.650 -6.497 1.00 0.00 H new ATOM 153 N LEU A 18 -4.574 7.550 -3.565 1.00 0.00 N ATOM 154 CA LEU A 18 -4.929 8.551 -2.606 1.00 0.00 C ATOM 155 C LEU A 18 -3.739 9.398 -2.313 1.00 0.00 C ATOM 156 O LEU A 18 -2.613 9.069 -2.682 1.00 0.00 O ATOM 157 CB LEU A 18 -5.488 7.989 -1.288 1.00 0.00 C ATOM 158 CG LEU A 18 -4.824 6.718 -0.734 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.874 6.730 0.803 1.00 0.00 C ATOM 160 CD2 LEU A 18 -5.546 5.454 -1.231 1.00 0.00 C ATOM 0 H LEU A 18 -3.631 7.185 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.732 9.134 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.414 8.768 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.549 7.782 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.792 6.704 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.402 5.827 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.343 7.605 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.912 6.766 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.055 4.570 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.585 5.476 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.510 5.419 -2.320 1.00 0.00 H new ATOM 172 N ALA A 19 -3.946 10.517 -1.597 1.00 0.00 N ATOM 173 CA ALA A 19 -2.929 11.389 -1.095 1.00 0.00 C ATOM 174 C ALA A 19 -2.904 11.339 0.394 1.00 0.00 C ATOM 175 O ALA A 19 -3.919 11.079 1.039 1.00 0.00 O ATOM 176 CB ALA A 19 -3.154 12.828 -1.585 1.00 0.00 C ATOM 0 H ALA A 19 -4.885 10.833 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.964 11.052 -1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.369 13.473 -1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.129 12.850 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.124 13.183 -1.237 1.00 0.00 H new ATOM 182 N LYS A 20 -1.726 11.556 1.007 1.00 0.00 N ATOM 183 CA LYS A 20 -1.511 11.339 2.404 1.00 0.00 C ATOM 184 C LYS A 20 -1.916 12.516 3.223 1.00 0.00 C ATOM 185 O LYS A 20 -2.243 13.579 2.698 1.00 0.00 O ATOM 186 CB LYS A 20 -0.047 10.985 2.716 1.00 0.00 C ATOM 187 CG LYS A 20 0.669 10.138 1.663 1.00 0.00 C ATOM 188 CD LYS A 20 1.802 10.907 0.980 1.00 0.00 C ATOM 189 CE LYS A 20 3.058 10.944 1.853 1.00 0.00 C ATOM 190 NZ LYS A 20 3.837 12.173 1.580 1.00 0.00 N ATOM 0 H LYS A 20 -0.898 11.893 0.515 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.142 10.491 2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.511 11.912 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.016 10.453 3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.072 9.241 2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.050 9.810 0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.036 10.440 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.476 11.925 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.778 10.909 2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.672 10.065 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.687 12.186 2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.119 12.190 0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.253 13.008 1.790 1.00 0.00 H new ATOM 204 N THR A 21 -1.880 12.408 4.563 1.00 0.00 N ATOM 205 CA THR A 21 -2.010 13.511 5.463 1.00 0.00 C ATOM 206 C THR A 21 -0.686 13.711 6.115 1.00 0.00 C ATOM 207 O THR A 21 -0.274 12.946 6.986 1.00 0.00 O ATOM 208 CB THR A 21 -3.164 13.382 6.413 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.167 14.337 7.464 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.253 11.994 7.072 1.00 0.00 C ATOM 0 H THR A 21 -1.755 11.515 5.039 1.00 0.00 H new ATOM 0 HA THR A 21 -2.273 14.414 4.912 1.00 0.00 H new ATOM 0 HB THR A 21 -4.023 13.556 5.765 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.948 14.190 8.038 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.108 11.966 7.747 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.374 11.233 6.302 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.340 11.799 7.635 1.00 0.00 H new ATOM 218 N ASP A 22 0.063 14.742 5.686 1.00 0.00 N ATOM 219 CA ASP A 22 1.396 15.094 6.067 1.00 0.00 C ATOM 220 C ASP A 22 2.334 13.977 6.373 1.00 0.00 C ATOM 221 O ASP A 22 2.766 13.779 7.507 1.00 0.00 O ATOM 222 CB ASP A 22 1.348 16.154 7.180 1.00 0.00 C ATOM 223 CG ASP A 22 2.654 16.923 7.325 1.00 0.00 C ATOM 224 OD1 ASP A 22 3.091 17.560 6.329 1.00 0.00 O ATOM 225 OD2 ASP A 22 3.265 16.903 8.427 1.00 0.00 O ATOM 0 H ASP A 22 -0.308 15.398 4.998 1.00 0.00 H new ATOM 0 HA ASP A 22 1.849 15.510 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.541 16.856 6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.111 15.668 8.127 1.00 0.00 H new ATOM 230 N GLY A 23 2.710 13.174 5.361 1.00 0.00 N ATOM 231 CA GLY A 23 3.588 12.061 5.540 1.00 0.00 C ATOM 232 C GLY A 23 3.013 10.920 6.308 1.00 0.00 C ATOM 233 O GLY A 23 3.643 10.414 7.235 1.00 0.00 O ATOM 0 H GLY A 23 2.397 13.301 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.897 11.700 4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.487 12.406 6.050 1.00 0.00 H new ATOM 237 N SER A 24 1.793 10.474 5.961 1.00 0.00 N ATOM 238 CA SER A 24 1.062 9.483 6.689 1.00 0.00 C ATOM 239 C SER A 24 -0.189 9.196 5.934 1.00 0.00 C ATOM 240 O SER A 24 -1.101 10.015 5.828 1.00 0.00 O ATOM 241 CB SER A 24 0.642 9.863 8.119 1.00 0.00 C ATOM 242 OG SER A 24 1.726 9.734 9.028 1.00 0.00 O ATOM 0 H SER A 24 1.295 10.818 5.140 1.00 0.00 H new ATOM 0 HA SER A 24 1.743 8.638 6.787 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.275 10.889 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.182 9.225 8.440 1.00 0.00 H new ATOM 0 HG SER A 24 2.573 9.801 8.539 1.00 0.00 H new ATOM 248 N LEU A 25 -0.276 7.981 5.364 1.00 0.00 N ATOM 249 CA LEU A 25 -1.457 7.388 4.818 1.00 0.00 C ATOM 250 C LEU A 25 -2.376 7.065 5.945 1.00 0.00 C ATOM 251 O LEU A 25 -3.578 7.328 5.937 1.00 0.00 O ATOM 252 CB LEU A 25 -1.072 6.047 4.171 1.00 0.00 C ATOM 253 CG LEU A 25 0.097 6.074 3.173 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.685 4.657 3.053 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.293 6.660 1.806 1.00 0.00 C ATOM 0 H LEU A 25 0.537 7.371 5.279 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.918 8.064 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.825 5.344 4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.949 5.652 3.658 1.00 0.00 H new ATOM 0 HG LEU A 25 0.862 6.749 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.515 4.666 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.042 4.327 4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.085 3.972 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.574 6.652 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.089 6.059 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.641 7.685 1.935 1.00 0.00 H new ATOM 267 N GLY A 26 -1.795 6.466 6.999 1.00 0.00 N ATOM 268 CA GLY A 26 -2.483 6.049 8.182 1.00 0.00 C ATOM 269 C GLY A 26 -2.635 4.568 8.211 1.00 0.00 C ATOM 270 O GLY A 26 -3.695 4.041 8.545 1.00 0.00 O ATOM 0 H GLY A 26 -0.796 6.262 7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.934 6.380 9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.465 6.521 8.223 1.00 0.00 H new ATOM 274 N ILE A 27 -1.528 3.878 7.882 1.00 0.00 N ATOM 275 CA ILE A 27 -1.352 2.488 8.164 1.00 0.00 C ATOM 276 C ILE A 27 -0.079 2.318 8.920 1.00 0.00 C ATOM 277 O ILE A 27 0.920 2.989 8.663 1.00 0.00 O ATOM 278 CB ILE A 27 -1.357 1.630 6.934 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.387 2.138 5.854 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.811 1.592 6.435 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.030 1.087 4.804 1.00 0.00 C ATOM 0 H ILE A 27 -0.731 4.301 7.405 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.201 2.154 8.760 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.001 0.627 7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.831 3.000 5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.528 2.484 6.334 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.871 0.978 5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.450 1.167 7.209 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.143 2.604 6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.657 1.518 4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.444 0.234 5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.936 0.758 4.296 1.00 0.00 H new ATOM 293 N SER A 28 -0.071 1.399 9.902 1.00 0.00 N ATOM 294 CA SER A 28 1.128 0.894 10.493 1.00 0.00 C ATOM 295 C SER A 28 1.602 -0.314 9.761 1.00 0.00 C ATOM 296 O SER A 28 0.857 -1.280 9.600 1.00 0.00 O ATOM 297 CB SER A 28 0.996 0.439 11.957 1.00 0.00 C ATOM 298 OG SER A 28 0.866 1.566 12.811 1.00 0.00 O ATOM 0 H SER A 28 -0.922 0.997 10.295 1.00 0.00 H new ATOM 0 HA SER A 28 1.811 1.742 10.441 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.128 -0.211 12.066 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.870 -0.145 12.244 1.00 0.00 H new ATOM 0 HG SER A 28 0.781 1.265 13.740 1.00 0.00 H new ATOM 304 N VAL A 29 2.869 -0.318 9.309 1.00 0.00 N ATOM 305 CA VAL A 29 3.401 -1.398 8.538 1.00 0.00 C ATOM 306 C VAL A 29 3.965 -2.525 9.332 1.00 0.00 C ATOM 307 O VAL A 29 4.496 -2.361 10.430 1.00 0.00 O ATOM 308 CB VAL A 29 4.424 -0.910 7.555 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.711 0.032 6.571 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.590 -0.238 8.298 1.00 0.00 C ATOM 0 H VAL A 29 3.532 0.438 9.481 1.00 0.00 H new ATOM 0 HA VAL A 29 2.536 -1.805 8.014 1.00 0.00 H new ATOM 0 HB VAL A 29 4.863 -1.732 6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.428 0.406 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.919 -0.512 6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.280 0.870 7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.327 0.113 7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.215 0.608 8.874 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.055 -0.958 8.971 1.00 0.00 H new ATOM 320 N THR A 30 3.881 -3.755 8.795 1.00 0.00 N ATOM 321 CA THR A 30 4.438 -4.937 9.377 1.00 0.00 C ATOM 322 C THR A 30 4.819 -5.876 8.283 1.00 0.00 C ATOM 323 O THR A 30 4.473 -5.677 7.120 1.00 0.00 O ATOM 324 CB THR A 30 3.532 -5.574 10.389 1.00 0.00 C ATOM 325 OG1 THR A 30 4.034 -6.748 11.010 1.00 0.00 O ATOM 326 CG2 THR A 30 2.145 -5.905 9.814 1.00 0.00 C ATOM 0 H THR A 30 3.402 -3.934 7.913 1.00 0.00 H new ATOM 0 HA THR A 30 5.330 -4.662 9.940 1.00 0.00 H new ATOM 0 HB THR A 30 3.463 -4.801 11.154 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.375 -7.086 11.652 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.530 -6.364 10.588 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.667 -4.989 9.467 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.253 -6.597 8.979 1.00 0.00 H new ATOM 334 N GLY A 31 5.585 -6.933 8.603 1.00 0.00 N ATOM 335 CA GLY A 31 6.054 -7.897 7.657 1.00 0.00 C ATOM 336 C GLY A 31 7.385 -7.544 7.088 1.00 0.00 C ATOM 337 O GLY A 31 8.282 -7.103 7.806 1.00 0.00 O ATOM 0 H GLY A 31 5.890 -7.124 9.558 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.117 -8.872 8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.330 -7.988 6.847 1.00 0.00 H new ATOM 341 N GLY A 32 7.563 -7.735 5.769 1.00 0.00 N ATOM 342 CA GLY A 32 8.751 -7.378 5.058 1.00 0.00 C ATOM 343 C GLY A 32 9.657 -8.529 4.786 1.00 0.00 C ATOM 344 O GLY A 32 9.537 -9.609 5.364 1.00 0.00 O ATOM 0 H GLY A 32 6.850 -8.156 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.472 -6.916 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.295 -6.627 5.631 1.00 0.00 H new ATOM 348 N VAL A 33 10.654 -8.321 3.909 1.00 0.00 N ATOM 349 CA VAL A 33 11.731 -9.214 3.615 1.00 0.00 C ATOM 350 C VAL A 33 12.426 -9.720 4.832 1.00 0.00 C ATOM 351 O VAL A 33 12.801 -10.886 4.935 1.00 0.00 O ATOM 352 CB VAL A 33 12.709 -8.510 2.721 1.00 0.00 C ATOM 353 CG1 VAL A 33 14.135 -9.084 2.719 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.162 -8.553 1.284 1.00 0.00 C ATOM 0 H VAL A 33 10.710 -7.461 3.364 1.00 0.00 H new ATOM 0 HA VAL A 33 11.308 -10.088 3.120 1.00 0.00 H new ATOM 0 HB VAL A 33 12.802 -7.498 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.760 -8.503 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.549 -9.034 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.109 -10.122 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.857 -8.046 0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.046 -9.590 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.194 -8.053 1.248 1.00 0.00 H new ATOM 364 N ASN A 34 12.575 -8.844 5.843 1.00 0.00 N ATOM 365 CA ASN A 34 13.230 -9.055 7.097 1.00 0.00 C ATOM 366 C ASN A 34 12.753 -10.213 7.904 1.00 0.00 C ATOM 367 O ASN A 34 13.560 -10.943 8.478 1.00 0.00 O ATOM 368 CB ASN A 34 13.201 -7.762 7.930 1.00 0.00 C ATOM 369 CG ASN A 34 11.831 -7.100 7.896 1.00 0.00 C ATOM 370 OD1 ASN A 34 11.514 -6.413 6.926 1.00 0.00 O ATOM 371 ND2 ASN A 34 10.978 -7.338 8.927 1.00 0.00 N ATOM 0 H ASN A 34 12.200 -7.898 5.773 1.00 0.00 H new ATOM 0 HA ASN A 34 14.252 -9.325 6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.470 -7.988 8.962 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.950 -7.067 7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.038 -6.942 8.913 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.278 -7.913 9.714 1.00 0.00 H new ATOM 378 N THR A 35 11.434 -10.463 7.976 1.00 0.00 N ATOM 379 CA THR A 35 10.880 -11.541 8.735 1.00 0.00 C ATOM 380 C THR A 35 10.688 -12.748 7.883 1.00 0.00 C ATOM 381 O THR A 35 10.331 -13.821 8.365 1.00 0.00 O ATOM 382 CB THR A 35 9.615 -11.140 9.435 1.00 0.00 C ATOM 383 OG1 THR A 35 9.076 -12.152 10.272 1.00 0.00 O ATOM 384 CG2 THR A 35 8.515 -10.724 8.443 1.00 0.00 C ATOM 0 H THR A 35 10.733 -9.900 7.493 1.00 0.00 H new ATOM 0 HA THR A 35 11.597 -11.800 9.515 1.00 0.00 H new ATOM 0 HB THR A 35 9.914 -10.295 10.056 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.188 -13.026 9.842 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.617 -10.442 8.993 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.860 -9.876 7.852 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.287 -11.559 7.781 1.00 0.00 H new ATOM 392 N SER A 36 10.917 -12.635 6.562 1.00 0.00 N ATOM 393 CA SER A 36 10.581 -13.597 5.560 1.00 0.00 C ATOM 394 C SER A 36 9.111 -13.800 5.422 1.00 0.00 C ATOM 395 O SER A 36 8.497 -14.635 6.084 1.00 0.00 O ATOM 396 CB SER A 36 11.288 -14.961 5.628 1.00 0.00 C ATOM 397 OG SER A 36 12.632 -14.843 5.185 1.00 0.00 O ATOM 0 H SER A 36 11.370 -11.811 6.168 1.00 0.00 H new ATOM 0 HA SER A 36 10.980 -13.118 4.666 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.267 -15.338 6.650 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.757 -15.685 5.010 1.00 0.00 H new ATOM 0 HG SER A 36 13.071 -15.718 5.235 1.00 0.00 H new ATOM 403 N VAL A 37 8.480 -13.017 4.528 1.00 0.00 N ATOM 404 CA VAL A 37 7.102 -13.131 4.166 1.00 0.00 C ATOM 405 C VAL A 37 7.018 -14.008 2.965 1.00 0.00 C ATOM 406 O VAL A 37 7.783 -14.963 2.839 1.00 0.00 O ATOM 407 CB VAL A 37 6.500 -11.770 3.979 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.420 -11.076 5.349 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.313 -10.891 3.013 1.00 0.00 C ATOM 0 H VAL A 37 8.958 -12.265 4.032 1.00 0.00 H new ATOM 0 HA VAL A 37 6.512 -13.595 4.956 1.00 0.00 H new ATOM 0 HB VAL A 37 5.510 -11.900 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.984 -10.084 5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.798 -11.667 6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.422 -10.984 5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.832 -9.918 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.322 -10.759 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.361 -11.372 2.036 1.00 0.00 H new ATOM 419 N ARG A 38 6.120 -13.744 2.000 1.00 0.00 N ATOM 420 CA ARG A 38 6.168 -14.365 0.712 1.00 0.00 C ATOM 421 C ARG A 38 7.028 -13.536 -0.180 1.00 0.00 C ATOM 422 O ARG A 38 6.577 -12.565 -0.784 1.00 0.00 O ATOM 423 CB ARG A 38 4.746 -14.555 0.158 1.00 0.00 C ATOM 424 CG ARG A 38 4.670 -15.232 -1.211 1.00 0.00 C ATOM 425 CD ARG A 38 3.276 -15.755 -1.562 1.00 0.00 C ATOM 426 NE ARG A 38 3.088 -17.063 -0.872 1.00 0.00 N ATOM 427 CZ ARG A 38 3.307 -18.272 -1.466 1.00 0.00 C ATOM 428 NH1 ARG A 38 3.806 -18.390 -2.731 1.00 0.00 N ATOM 429 NH2 ARG A 38 3.049 -19.433 -0.795 1.00 0.00 N ATOM 0 H ARG A 38 5.347 -13.088 2.115 1.00 0.00 H new ATOM 0 HA ARG A 38 6.606 -15.361 0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.171 -15.146 0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.265 -13.579 0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.985 -14.522 -1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.377 -16.062 -1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.512 -15.045 -1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.174 -15.875 -2.641 1.00 0.00 H new ATOM 0 HE ARG A 38 2.778 -17.054 0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.031 -17.554 -3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.954 -19.314 -3.137 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.689 -19.402 0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.216 -20.332 -1.248 1.00 0.00 H new ATOM 443 N HIS A 39 8.333 -13.858 -0.216 1.00 0.00 N ATOM 444 CA HIS A 39 9.402 -13.148 -0.848 1.00 0.00 C ATOM 445 C HIS A 39 9.723 -11.816 -0.262 1.00 0.00 C ATOM 446 O HIS A 39 10.803 -11.592 0.283 1.00 0.00 O ATOM 447 CB HIS A 39 9.266 -12.998 -2.372 1.00 0.00 C ATOM 448 CG HIS A 39 9.137 -14.279 -3.141 1.00 0.00 C ATOM 449 ND1 HIS A 39 10.221 -15.120 -3.288 1.00 0.00 N ATOM 450 CD2 HIS A 39 8.090 -14.718 -3.891 1.00 0.00 C ATOM 451 CE1 HIS A 39 9.824 -16.053 -4.134 1.00 0.00 C ATOM 452 NE2 HIS A 39 8.537 -15.858 -4.529 1.00 0.00 N ATOM 0 H HIS A 39 8.671 -14.702 0.245 1.00 0.00 H new ATOM 0 HA HIS A 39 10.238 -13.815 -0.637 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.393 -12.380 -2.582 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.136 -12.458 -2.745 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.112 -14.268 -3.971 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.445 -16.870 -4.471 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.004 -16.442 -5.173 1.00 0.00 H new ATOM 460 N GLY A 40 8.776 -10.867 -0.368 1.00 0.00 N ATOM 461 CA GLY A 40 8.954 -9.455 -0.221 1.00 0.00 C ATOM 462 C GLY A 40 7.607 -8.838 -0.388 1.00 0.00 C ATOM 463 O GLY A 40 6.932 -8.979 -1.406 1.00 0.00 O ATOM 0 H GLY A 40 7.807 -11.109 -0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.371 -9.217 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.651 -9.072 -0.967 1.00 0.00 H new ATOM 467 N GLY A 41 7.131 -8.158 0.670 1.00 0.00 N ATOM 468 CA GLY A 41 5.882 -7.459 0.670 1.00 0.00 C ATOM 469 C GLY A 41 5.714 -6.873 2.029 1.00 0.00 C ATOM 470 O GLY A 41 6.212 -7.446 2.997 1.00 0.00 O ATOM 0 H GLY A 41 7.632 -8.092 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.877 -6.678 -0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.060 -8.136 0.437 1.00 0.00 H new ATOM 474 N ILE A 42 5.013 -5.731 2.147 1.00 0.00 N ATOM 475 CA ILE A 42 4.725 -5.168 3.429 1.00 0.00 C ATOM 476 C ILE A 42 3.270 -5.388 3.662 1.00 0.00 C ATOM 477 O ILE A 42 2.503 -5.643 2.735 1.00 0.00 O ATOM 478 CB ILE A 42 5.203 -3.759 3.623 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.625 -3.478 5.075 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.191 -2.672 3.226 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.880 -4.230 5.515 1.00 0.00 C ATOM 0 H ILE A 42 4.647 -5.199 1.357 1.00 0.00 H new ATOM 0 HA ILE A 42 5.304 -5.672 4.203 1.00 0.00 H new ATOM 0 HB ILE A 42 6.056 -3.699 2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.796 -2.408 5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.803 -3.744 5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.626 -1.688 3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.942 -2.775 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.287 -2.781 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.111 -3.978 6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.709 -5.303 5.432 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.717 -3.946 4.877 1.00 0.00 H new ATOM 493 N TYR A 43 2.833 -5.396 4.934 1.00 0.00 N ATOM 494 CA TYR A 43 1.489 -5.723 5.297 1.00 0.00 C ATOM 495 C TYR A 43 1.051 -4.648 6.231 1.00 0.00 C ATOM 496 O TYR A 43 1.874 -3.940 6.810 1.00 0.00 O ATOM 497 CB TYR A 43 1.446 -7.066 6.046 1.00 0.00 C ATOM 498 CG TYR A 43 1.746 -8.229 5.165 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.026 -8.526 4.755 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.716 -9.059 4.792 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.262 -9.620 3.957 1.00 0.00 C ATOM 502 CE2 TYR A 43 0.948 -10.167 4.010 1.00 0.00 C ATOM 503 CZ TYR A 43 2.227 -10.446 3.587 1.00 0.00 C ATOM 504 OH TYR A 43 2.462 -11.583 2.785 1.00 0.00 O ATOM 0 H TYR A 43 3.429 -5.169 5.730 1.00 0.00 H new ATOM 0 HA TYR A 43 0.855 -5.802 4.414 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.164 -7.043 6.866 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.459 -7.198 6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.848 -7.897 5.062 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.290 -8.838 5.117 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.266 -9.832 3.619 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.130 -10.814 3.730 1.00 0.00 H new ATOM 0 HH TYR A 43 1.616 -12.050 2.623 1.00 0.00 H new ATOM 514 N VAL A 44 -0.267 -4.472 6.435 1.00 0.00 N ATOM 515 CA VAL A 44 -0.760 -3.555 7.415 1.00 0.00 C ATOM 516 C VAL A 44 -0.962 -4.269 8.707 1.00 0.00 C ATOM 517 O VAL A 44 -1.511 -5.368 8.765 1.00 0.00 O ATOM 518 CB VAL A 44 -2.038 -2.901 6.982 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.426 -1.830 8.016 1.00 0.00 C ATOM 520 CG2 VAL A 44 -1.842 -2.256 5.599 1.00 0.00 C ATOM 0 H VAL A 44 -0.994 -4.967 5.919 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.018 -2.766 7.538 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.833 -3.643 6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.355 -1.348 7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.564 -2.298 8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.634 -1.083 8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.771 -1.781 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.052 -1.507 5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.564 -3.023 4.876 1.00 0.00 H new ATOM 530 N LYS A 45 -0.503 -3.663 9.817 1.00 0.00 N ATOM 531 CA LYS A 45 -0.738 -4.120 11.151 1.00 0.00 C ATOM 532 C LYS A 45 -2.043 -3.592 11.637 1.00 0.00 C ATOM 533 O LYS A 45 -2.931 -4.338 12.046 1.00 0.00 O ATOM 534 CB LYS A 45 0.370 -3.628 12.097 1.00 0.00 C ATOM 535 CG LYS A 45 0.257 -4.070 13.557 1.00 0.00 C ATOM 536 CD LYS A 45 1.177 -5.235 13.928 1.00 0.00 C ATOM 537 CE LYS A 45 1.523 -5.258 15.418 1.00 0.00 C ATOM 538 NZ LYS A 45 2.380 -6.421 15.742 1.00 0.00 N ATOM 0 H LYS A 45 0.059 -2.813 9.782 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.748 -5.210 11.142 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.329 -3.971 11.709 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.386 -2.538 12.069 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.485 -3.221 14.201 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.775 -4.356 13.760 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.696 -6.174 13.656 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.096 -5.167 13.346 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.036 -4.336 15.691 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.607 -5.300 16.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.602 -6.416 16.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.878 -7.300 15.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.262 -6.365 15.194 1.00 0.00 H new ATOM 552 N ALA A 46 -2.185 -2.254 11.625 1.00 0.00 N ATOM 553 CA ALA A 46 -3.280 -1.562 12.232 1.00 0.00 C ATOM 554 C ALA A 46 -3.746 -0.449 11.359 1.00 0.00 C ATOM 555 O ALA A 46 -2.964 0.380 10.897 1.00 0.00 O ATOM 556 CB ALA A 46 -2.844 -1.035 13.609 1.00 0.00 C ATOM 0 H ALA A 46 -1.513 -1.632 11.176 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.115 -2.250 12.362 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.675 -0.507 14.076 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.545 -1.871 14.241 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.003 -0.353 13.488 1.00 0.00 H new ATOM 562 N ILE A 47 -5.066 -0.403 11.103 1.00 0.00 N ATOM 563 CA ILE A 47 -5.736 0.615 10.354 1.00 0.00 C ATOM 564 C ILE A 47 -6.205 1.679 11.285 1.00 0.00 C ATOM 565 O ILE A 47 -6.974 1.420 12.209 1.00 0.00 O ATOM 566 CB ILE A 47 -6.925 0.086 9.607 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.549 -1.072 8.668 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.630 1.193 8.804 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.641 -0.640 7.517 1.00 0.00 C ATOM 0 H ILE A 47 -5.705 -1.123 11.441 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.023 1.005 9.628 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.613 -0.293 10.362 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.050 -1.851 9.244 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.459 -1.511 8.260 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.486 0.771 8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.971 1.974 9.483 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.933 1.619 8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.412 -1.502 6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.147 0.118 6.919 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.716 -0.227 7.919 1.00 0.00 H new ATOM 581 N ILE A 48 -5.781 2.934 11.055 1.00 0.00 N ATOM 582 CA ILE A 48 -6.215 4.062 11.819 1.00 0.00 C ATOM 583 C ILE A 48 -7.660 4.324 11.566 1.00 0.00 C ATOM 584 O ILE A 48 -8.014 4.334 10.389 1.00 0.00 O ATOM 585 CB ILE A 48 -5.428 5.282 11.437 1.00 0.00 C ATOM 586 CG1 ILE A 48 -3.938 5.069 11.753 1.00 0.00 C ATOM 587 CG2 ILE A 48 -5.951 6.564 12.107 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.127 6.323 11.427 1.00 0.00 C ATOM 0 H ILE A 48 -5.118 3.171 10.317 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.059 3.842 12.875 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.553 5.423 10.363 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.818 4.817 12.807 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.557 4.225 11.178 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.343 7.413 11.793 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.987 6.732 11.813 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.894 6.458 13.190 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.077 6.147 11.659 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.230 6.558 10.368 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.495 7.159 12.022 1.00 0.00 H new ATOM 600 N PRO A 49 -8.514 4.560 12.518 1.00 0.00 N ATOM 601 CA PRO A 49 -9.861 4.990 12.279 1.00 0.00 C ATOM 602 C PRO A 49 -9.920 6.372 11.723 1.00 0.00 C ATOM 603 O PRO A 49 -9.947 7.346 12.473 1.00 0.00 O ATOM 604 CB PRO A 49 -10.554 4.864 13.634 1.00 0.00 C ATOM 605 CG PRO A 49 -9.424 5.065 14.655 1.00 0.00 C ATOM 606 CD PRO A 49 -8.230 4.415 13.937 1.00 0.00 C ATOM 0 HA PRO A 49 -10.357 4.384 11.521 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.336 5.614 13.753 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.027 3.889 13.750 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.248 6.120 14.868 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.642 4.580 15.607 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.295 4.907 14.204 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.128 3.365 14.213 1.00 0.00 H new ATOM 614 N LYS A 50 -9.918 6.462 10.381 1.00 0.00 N ATOM 615 CA LYS A 50 -9.838 7.641 9.575 1.00 0.00 C ATOM 616 C LYS A 50 -8.531 8.354 9.622 1.00 0.00 C ATOM 617 O LYS A 50 -8.382 9.407 10.238 1.00 0.00 O ATOM 618 CB LYS A 50 -11.032 8.599 9.727 1.00 0.00 C ATOM 619 CG LYS A 50 -12.338 8.053 9.147 1.00 0.00 C ATOM 620 CD LYS A 50 -12.403 8.063 7.618 1.00 0.00 C ATOM 621 CE LYS A 50 -12.552 9.439 6.965 1.00 0.00 C ATOM 622 NZ LYS A 50 -13.892 10.005 7.239 1.00 0.00 N ATOM 0 H LYS A 50 -9.979 5.623 9.805 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.904 7.237 8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.178 8.818 10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.794 9.543 9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.478 7.031 9.498 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.169 8.641 9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.497 7.595 7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.242 7.441 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.783 10.112 7.344 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.400 9.355 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.005 10.898 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.623 9.331 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.992 10.183 8.259 1.00 0.00 H new ATOM 636 N GLY A 51 -7.533 7.838 8.882 1.00 0.00 N ATOM 637 CA GLY A 51 -6.513 8.649 8.292 1.00 0.00 C ATOM 638 C GLY A 51 -6.918 8.866 6.873 1.00 0.00 C ATOM 639 O GLY A 51 -8.076 9.137 6.564 1.00 0.00 O ATOM 0 H GLY A 51 -7.432 6.841 8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.418 9.599 8.819 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.543 8.155 8.348 1.00 0.00 H new ATOM 643 N ALA A 52 -5.975 8.707 5.927 1.00 0.00 N ATOM 644 CA ALA A 52 -6.253 8.755 4.525 1.00 0.00 C ATOM 645 C ALA A 52 -6.559 7.401 3.983 1.00 0.00 C ATOM 646 O ALA A 52 -7.447 7.243 3.146 1.00 0.00 O ATOM 647 CB ALA A 52 -5.020 9.336 3.812 1.00 0.00 C ATOM 0 H ALA A 52 -4.992 8.540 6.143 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.129 9.381 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.208 9.383 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.821 10.339 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.156 8.699 4.001 1.00 0.00 H new ATOM 653 N ALA A 53 -5.829 6.375 4.454 1.00 0.00 N ATOM 654 CA ALA A 53 -5.869 5.021 3.995 1.00 0.00 C ATOM 655 C ALA A 53 -7.133 4.280 4.265 1.00 0.00 C ATOM 656 O ALA A 53 -7.701 3.693 3.344 1.00 0.00 O ATOM 657 CB ALA A 53 -4.683 4.263 4.614 1.00 0.00 C ATOM 0 H ALA A 53 -5.160 6.503 5.213 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.810 5.073 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.697 3.227 4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.749 4.734 4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.761 4.290 5.701 1.00 0.00 H new ATOM 663 N GLU A 54 -7.684 4.304 5.492 1.00 0.00 N ATOM 664 CA GLU A 54 -8.960 3.719 5.765 1.00 0.00 C ATOM 665 C GLU A 54 -10.043 4.305 4.926 1.00 0.00 C ATOM 666 O GLU A 54 -11.014 3.662 4.532 1.00 0.00 O ATOM 667 CB GLU A 54 -9.392 3.895 7.230 1.00 0.00 C ATOM 668 CG GLU A 54 -10.693 3.150 7.531 1.00 0.00 C ATOM 669 CD GLU A 54 -11.082 3.214 9.000 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.520 4.312 9.437 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.014 2.175 9.709 1.00 0.00 O ATOM 0 H GLU A 54 -7.240 4.734 6.303 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.827 2.662 5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.603 3.530 7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.522 4.955 7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.497 3.573 6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.586 2.107 7.233 1.00 0.00 H new ATOM 678 N SER A 55 -9.869 5.592 4.574 1.00 0.00 N ATOM 679 CA SER A 55 -10.781 6.291 3.723 1.00 0.00 C ATOM 680 C SER A 55 -10.780 5.896 2.286 1.00 0.00 C ATOM 681 O SER A 55 -11.535 6.472 1.504 1.00 0.00 O ATOM 682 CB SER A 55 -10.589 7.815 3.809 1.00 0.00 C ATOM 683 OG SER A 55 -11.766 8.506 3.419 1.00 0.00 O ATOM 0 H SER A 55 -9.080 6.158 4.887 1.00 0.00 H new ATOM 0 HA SER A 55 -11.750 5.990 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.322 8.093 4.829 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.759 8.116 3.169 1.00 0.00 H new ATOM 0 HG SER A 55 -12.134 8.095 2.609 1.00 0.00 H new ATOM 689 N ASP A 56 -10.010 4.877 1.864 1.00 0.00 N ATOM 690 CA ASP A 56 -10.273 4.090 0.699 1.00 0.00 C ATOM 691 C ASP A 56 -11.605 3.435 0.835 1.00 0.00 C ATOM 692 O ASP A 56 -12.629 3.909 0.348 1.00 0.00 O ATOM 693 CB ASP A 56 -9.142 3.061 0.533 1.00 0.00 C ATOM 694 CG ASP A 56 -9.464 1.907 -0.405 1.00 0.00 C ATOM 695 OD1 ASP A 56 -9.834 2.152 -1.584 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.506 0.744 0.078 1.00 0.00 O ATOM 0 H ASP A 56 -9.165 4.589 2.358 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.302 4.715 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.254 3.574 0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.892 2.655 1.513 1.00 0.00 H new ATOM 701 N GLY A 57 -11.631 2.278 1.521 1.00 0.00 N ATOM 702 CA GLY A 57 -12.846 1.554 1.728 1.00 0.00 C ATOM 703 C GLY A 57 -12.583 0.174 2.224 1.00 0.00 C ATOM 704 O GLY A 57 -13.237 -0.311 3.146 1.00 0.00 O ATOM 0 H GLY A 57 -10.806 1.843 1.934 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.470 2.087 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.405 1.505 0.794 1.00 0.00 H new ATOM 708 N ARG A 58 -11.619 -0.513 1.586 1.00 0.00 N ATOM 709 CA ARG A 58 -11.392 -1.913 1.769 1.00 0.00 C ATOM 710 C ARG A 58 -10.497 -2.268 2.906 1.00 0.00 C ATOM 711 O ARG A 58 -10.746 -3.268 3.578 1.00 0.00 O ATOM 712 CB ARG A 58 -10.807 -2.475 0.462 1.00 0.00 C ATOM 713 CG ARG A 58 -11.869 -2.879 -0.563 1.00 0.00 C ATOM 714 CD ARG A 58 -11.325 -3.911 -1.554 1.00 0.00 C ATOM 715 NE ARG A 58 -11.930 -3.681 -2.895 1.00 0.00 N ATOM 716 CZ ARG A 58 -11.619 -4.463 -3.971 1.00 0.00 C ATOM 717 NH1 ARG A 58 -11.038 -5.689 -3.836 1.00 0.00 N ATOM 718 NH2 ARG A 58 -11.844 -3.948 -5.214 1.00 0.00 N ATOM 0 H ARG A 58 -10.977 -0.081 0.922 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.357 -2.353 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.151 -1.727 0.017 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.190 -3.343 0.694 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.737 -3.290 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.209 -1.996 -1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.239 -3.834 -1.615 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.554 -4.919 -1.208 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.596 -2.917 -3.014 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.821 -6.051 -2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.820 -6.244 -4.664 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.231 -3.010 -5.315 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.625 -4.501 -6.043 1.00 0.00 H new ATOM 732 N ILE A 59 -9.412 -1.508 3.137 1.00 0.00 N ATOM 733 CA ILE A 59 -8.289 -1.875 3.942 1.00 0.00 C ATOM 734 C ILE A 59 -8.574 -2.321 5.335 1.00 0.00 C ATOM 735 O ILE A 59 -9.307 -1.682 6.087 1.00 0.00 O ATOM 736 CB ILE A 59 -7.212 -0.832 3.961 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.224 0.058 2.706 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.858 -1.549 4.102 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.072 1.061 2.661 1.00 0.00 C ATOM 0 H ILE A 59 -9.314 -0.576 2.735 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.937 -2.764 3.419 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.388 -0.164 4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.179 -0.576 1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.169 0.599 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.056 -0.811 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.844 -2.121 5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.714 -2.223 3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.142 1.655 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.128 1.719 3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.123 0.526 2.673 1.00 0.00 H new ATOM 751 N HIS A 60 -8.004 -3.474 5.728 1.00 0.00 N ATOM 752 CA HIS A 60 -8.163 -4.113 6.997 1.00 0.00 C ATOM 753 C HIS A 60 -6.838 -4.409 7.611 1.00 0.00 C ATOM 754 O HIS A 60 -5.770 -4.178 7.047 1.00 0.00 O ATOM 755 CB HIS A 60 -9.004 -5.389 6.832 1.00 0.00 C ATOM 756 CG HIS A 60 -9.257 -6.222 8.054 1.00 0.00 C ATOM 757 ND1 HIS A 60 -9.763 -5.648 9.202 1.00 0.00 N ATOM 758 CD2 HIS A 60 -8.998 -7.542 8.258 1.00 0.00 C ATOM 759 CE1 HIS A 60 -9.795 -6.623 10.091 1.00 0.00 C ATOM 760 NE2 HIS A 60 -9.343 -7.794 9.570 1.00 0.00 N ATOM 0 H HIS A 60 -7.385 -3.998 5.110 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.689 -3.438 7.673 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.970 -5.102 6.416 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.513 -6.021 6.092 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.604 -8.247 7.541 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.138 -6.505 11.108 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.272 -8.688 10.056 1.00 0.00 H new ATOM 768 N LYS A 61 -6.846 -4.921 8.855 1.00 0.00 N ATOM 769 CA LYS A 61 -5.708 -5.083 9.706 1.00 0.00 C ATOM 770 C LYS A 61 -4.975 -6.360 9.483 1.00 0.00 C ATOM 771 O LYS A 61 -4.526 -7.025 10.416 1.00 0.00 O ATOM 772 CB LYS A 61 -6.168 -5.009 11.171 1.00 0.00 C ATOM 773 CG LYS A 61 -7.028 -3.787 11.498 1.00 0.00 C ATOM 774 CD LYS A 61 -7.321 -3.662 12.995 1.00 0.00 C ATOM 775 CE LYS A 61 -8.313 -2.556 13.359 1.00 0.00 C ATOM 776 NZ LYS A 61 -9.682 -2.888 12.904 1.00 0.00 N ATOM 0 H LYS A 61 -7.708 -5.244 9.295 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.012 -4.279 9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.733 -5.911 11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.289 -5.004 11.816 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.520 -2.886 11.154 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.969 -3.851 10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.710 -4.614 13.357 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.384 -3.479 13.521 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.313 -2.406 14.439 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.995 -1.617 12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.343 -2.151 13.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.699 -2.940 11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.967 -3.806 13.302 1.00 0.00 H new ATOM 790 N GLY A 62 -4.805 -6.772 8.213 1.00 0.00 N ATOM 791 CA GLY A 62 -4.090 -7.968 7.895 1.00 0.00 C ATOM 792 C GLY A 62 -3.995 -8.153 6.420 1.00 0.00 C ATOM 793 O GLY A 62 -4.115 -9.266 5.910 1.00 0.00 O ATOM 0 H GLY A 62 -5.166 -6.271 7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.090 -7.924 8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.592 -8.826 8.342 1.00 0.00 H new ATOM 797 N ASP A 63 -3.794 -7.036 5.697 1.00 0.00 N ATOM 798 CA ASP A 63 -3.753 -6.978 4.269 1.00 0.00 C ATOM 799 C ASP A 63 -2.340 -6.859 3.811 1.00 0.00 C ATOM 800 O ASP A 63 -1.474 -6.407 4.558 1.00 0.00 O ATOM 801 CB ASP A 63 -4.515 -5.743 3.758 1.00 0.00 C ATOM 802 CG ASP A 63 -6.011 -5.823 4.029 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.539 -6.889 4.445 1.00 0.00 O ATOM 804 OD2 ASP A 63 -6.674 -4.781 3.784 1.00 0.00 O ATOM 0 H ASP A 63 -3.653 -6.125 6.133 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.211 -7.888 3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.111 -4.849 4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.349 -5.636 2.686 1.00 0.00 H new ATOM 809 N ARG A 64 -2.055 -7.235 2.552 1.00 0.00 N ATOM 810 CA ARG A 64 -0.761 -7.108 1.958 1.00 0.00 C ATOM 811 C ARG A 64 -0.725 -5.878 1.119 1.00 0.00 C ATOM 812 O ARG A 64 -1.622 -5.638 0.312 1.00 0.00 O ATOM 813 CB ARG A 64 -0.439 -8.317 1.063 1.00 0.00 C ATOM 814 CG ARG A 64 0.985 -8.359 0.504 1.00 0.00 C ATOM 815 CD ARG A 64 1.188 -9.466 -0.533 1.00 0.00 C ATOM 816 NE ARG A 64 2.617 -9.459 -0.951 1.00 0.00 N ATOM 817 CZ ARG A 64 3.152 -10.452 -1.719 1.00 0.00 C ATOM 818 NH1 ARG A 64 2.367 -11.400 -2.310 1.00 0.00 N ATOM 819 NH2 ARG A 64 4.498 -10.527 -1.934 1.00 0.00 N ATOM 0 H ARG A 64 -2.750 -7.642 1.926 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.024 -7.054 2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.613 -9.228 1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.139 -8.326 0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.220 -7.396 0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.687 -8.504 1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.921 -10.435 -0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.540 -9.303 -1.394 1.00 0.00 H new ATOM 0 HE ARG A 64 3.215 -8.688 -0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.355 -11.376 -2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.792 -12.132 -2.879 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.120 -9.834 -1.518 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.881 -11.276 -2.511 1.00 0.00 H new ATOM 833 N VAL A 65 0.341 -5.066 1.237 1.00 0.00 N ATOM 834 CA VAL A 65 0.695 -4.047 0.299 1.00 0.00 C ATOM 835 C VAL A 65 1.726 -4.689 -0.563 1.00 0.00 C ATOM 836 O VAL A 65 2.825 -5.015 -0.117 1.00 0.00 O ATOM 837 CB VAL A 65 1.244 -2.783 0.890 1.00 0.00 C ATOM 838 CG1 VAL A 65 0.818 -1.603 0.000 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.798 -2.581 2.348 1.00 0.00 C ATOM 0 H VAL A 65 0.987 -5.123 2.025 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.202 -3.714 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 65 2.332 -2.848 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.209 -0.674 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.213 -1.745 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.270 -1.552 -0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.221 -1.653 2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.290 -2.530 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.147 -3.417 2.954 1.00 0.00 H new ATOM 849 N LEU A 66 1.409 -4.970 -1.839 1.00 0.00 N ATOM 850 CA LEU A 66 2.312 -5.628 -2.732 1.00 0.00 C ATOM 851 C LEU A 66 3.072 -4.663 -3.576 1.00 0.00 C ATOM 852 O LEU A 66 4.196 -4.952 -3.984 1.00 0.00 O ATOM 853 CB LEU A 66 1.638 -6.723 -3.575 1.00 0.00 C ATOM 854 CG LEU A 66 0.343 -6.388 -4.335 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.263 -7.256 -5.601 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.907 -6.649 -3.478 1.00 0.00 C ATOM 0 H LEU A 66 0.509 -4.736 -2.259 1.00 0.00 H new ATOM 0 HA LEU A 66 3.036 -6.139 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.368 -7.071 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.424 -7.562 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 66 0.369 -5.328 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.653 -7.023 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.124 -7.052 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.261 -8.309 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.800 -6.400 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.940 -7.701 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.868 -6.032 -2.581 1.00 0.00 H new ATOM 868 N ALA A 67 2.510 -3.476 -3.861 1.00 0.00 N ATOM 869 CA ALA A 67 3.226 -2.486 -4.603 1.00 0.00 C ATOM 870 C ALA A 67 2.735 -1.114 -4.293 1.00 0.00 C ATOM 871 O ALA A 67 1.645 -0.933 -3.753 1.00 0.00 O ATOM 872 CB ALA A 67 3.140 -2.786 -6.110 1.00 0.00 C ATOM 0 H ALA A 67 1.568 -3.203 -3.581 1.00 0.00 H new ATOM 0 HA ALA A 67 4.274 -2.525 -4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.689 -2.025 -6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.574 -3.765 -6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.096 -2.780 -6.423 1.00 0.00 H new ATOM 878 N VAL A 68 3.545 -0.079 -4.580 1.00 0.00 N ATOM 879 CA VAL A 68 3.212 1.278 -4.277 1.00 0.00 C ATOM 880 C VAL A 68 3.573 2.166 -5.418 1.00 0.00 C ATOM 881 O VAL A 68 4.735 2.174 -5.822 1.00 0.00 O ATOM 882 CB VAL A 68 3.948 1.781 -3.071 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.371 3.142 -2.650 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.859 0.803 -1.887 1.00 0.00 C ATOM 0 H VAL A 68 4.452 -0.188 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 68 2.139 1.298 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 68 4.999 1.878 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.905 3.508 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.484 3.854 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.314 3.030 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.407 1.210 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.814 0.660 -1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.293 -0.155 -2.173 1.00 0.00 H new ATOM 894 N ASN A 69 2.640 2.925 -6.020 1.00 0.00 N ATOM 895 CA ASN A 69 2.828 3.719 -7.194 1.00 0.00 C ATOM 896 C ASN A 69 3.602 3.114 -8.315 1.00 0.00 C ATOM 897 O ASN A 69 4.335 3.787 -9.039 1.00 0.00 O ATOM 898 CB ASN A 69 3.177 5.187 -6.896 1.00 0.00 C ATOM 899 CG ASN A 69 4.388 5.373 -5.994 1.00 0.00 C ATOM 900 OD1 ASN A 69 4.254 5.787 -4.843 1.00 0.00 O ATOM 901 ND2 ASN A 69 5.604 5.077 -6.526 1.00 0.00 N ATOM 0 H ASN A 69 1.688 2.987 -5.660 1.00 0.00 H new ATOM 0 HA ASN A 69 1.826 3.730 -7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.358 5.704 -7.839 1.00 0.00 H new ATOM 0 HB3 ASN A 69 2.315 5.666 -6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.448 5.196 -5.966 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.672 4.736 -7.485 1.00 0.00 H new ATOM 908 N GLY A 70 3.457 1.789 -8.491 1.00 0.00 N ATOM 909 CA GLY A 70 4.121 1.034 -9.508 1.00 0.00 C ATOM 910 C GLY A 70 5.442 0.486 -9.091 1.00 0.00 C ATOM 911 O GLY A 70 6.236 0.025 -9.910 1.00 0.00 O ATOM 0 H GLY A 70 2.852 1.219 -7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.477 0.209 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.262 1.668 -10.383 1.00 0.00 H new ATOM 915 N VAL A 71 5.721 0.517 -7.776 1.00 0.00 N ATOM 916 CA VAL A 71 6.937 0.070 -7.172 1.00 0.00 C ATOM 917 C VAL A 71 6.599 -1.100 -6.313 1.00 0.00 C ATOM 918 O VAL A 71 6.121 -0.973 -5.186 1.00 0.00 O ATOM 919 CB VAL A 71 7.633 1.119 -6.357 1.00 0.00 C ATOM 920 CG1 VAL A 71 8.940 0.568 -5.763 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.935 2.334 -7.252 1.00 0.00 C ATOM 0 H VAL A 71 5.055 0.877 -7.092 1.00 0.00 H new ATOM 0 HA VAL A 71 7.636 -0.189 -7.967 1.00 0.00 H new ATOM 0 HB VAL A 71 6.984 1.418 -5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.429 1.345 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.717 -0.285 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.602 0.253 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.441 3.101 -6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.576 2.027 -8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.002 2.736 -7.647 1.00 0.00 H new ATOM 931 N SER A 72 6.823 -2.320 -6.834 1.00 0.00 N ATOM 932 CA SER A 72 6.680 -3.546 -6.112 1.00 0.00 C ATOM 933 C SER A 72 7.610 -3.661 -4.953 1.00 0.00 C ATOM 934 O SER A 72 8.768 -3.247 -4.996 1.00 0.00 O ATOM 935 CB SER A 72 6.829 -4.791 -7.001 1.00 0.00 C ATOM 936 OG SER A 72 8.024 -4.780 -7.768 1.00 0.00 O ATOM 0 H SER A 72 7.117 -2.457 -7.801 1.00 0.00 H new ATOM 0 HA SER A 72 5.659 -3.509 -5.732 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.813 -5.683 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.973 -4.857 -7.672 1.00 0.00 H new ATOM 0 HG SER A 72 8.070 -5.593 -8.313 1.00 0.00 H new ATOM 942 N LEU A 73 7.136 -4.252 -3.842 1.00 0.00 N ATOM 943 CA LEU A 73 7.901 -4.403 -2.644 1.00 0.00 C ATOM 944 C LEU A 73 8.722 -5.647 -2.638 1.00 0.00 C ATOM 945 O LEU A 73 9.056 -6.218 -1.602 1.00 0.00 O ATOM 946 CB LEU A 73 6.983 -4.338 -1.411 1.00 0.00 C ATOM 947 CG LEU A 73 6.254 -2.996 -1.232 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.480 -2.980 0.098 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.191 -1.777 -1.246 1.00 0.00 C ATOM 0 H LEU A 73 6.193 -4.636 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 73 8.605 -3.571 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.241 -5.134 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.578 -4.536 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 73 5.582 -2.916 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.969 -2.024 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.746 -3.786 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.176 -3.119 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.606 -0.867 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.914 -1.864 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.719 -1.735 -2.199 1.00 0.00 H new ATOM 961 N GLU A 74 9.153 -6.077 -3.838 1.00 0.00 N ATOM 962 CA GLU A 74 10.064 -7.153 -4.079 1.00 0.00 C ATOM 963 C GLU A 74 11.434 -6.729 -3.679 1.00 0.00 C ATOM 964 O GLU A 74 12.124 -6.017 -4.409 1.00 0.00 O ATOM 965 CB GLU A 74 10.003 -7.513 -5.574 1.00 0.00 C ATOM 966 CG GLU A 74 10.738 -8.788 -5.993 1.00 0.00 C ATOM 967 CD GLU A 74 9.996 -10.065 -5.621 1.00 0.00 C ATOM 968 OE1 GLU A 74 9.790 -10.330 -4.407 1.00 0.00 O ATOM 969 OE2 GLU A 74 9.601 -10.817 -6.551 1.00 0.00 O ATOM 0 H GLU A 74 8.840 -5.638 -4.704 1.00 0.00 H new ATOM 0 HA GLU A 74 9.797 -8.033 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.956 -7.612 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.412 -6.679 -6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.896 -8.770 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.723 -8.800 -5.527 1.00 0.00 H new ATOM 976 N GLY A 75 11.862 -7.101 -2.460 1.00 0.00 N ATOM 977 CA GLY A 75 13.091 -6.669 -1.870 1.00 0.00 C ATOM 978 C GLY A 75 12.944 -5.700 -0.748 1.00 0.00 C ATOM 979 O GLY A 75 13.944 -5.319 -0.140 1.00 0.00 O ATOM 0 H GLY A 75 11.329 -7.730 -1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.629 -7.544 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.708 -6.214 -2.645 1.00 0.00 H new ATOM 983 N ALA A 76 11.724 -5.249 -0.406 1.00 0.00 N ATOM 984 CA ALA A 76 11.531 -4.258 0.606 1.00 0.00 C ATOM 985 C ALA A 76 11.286 -4.810 1.969 1.00 0.00 C ATOM 986 O ALA A 76 10.617 -5.821 2.180 1.00 0.00 O ATOM 987 CB ALA A 76 10.448 -3.244 0.198 1.00 0.00 C ATOM 0 H ALA A 76 10.860 -5.577 -0.838 1.00 0.00 H new ATOM 0 HA ALA A 76 12.483 -3.733 0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.326 -2.504 0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.746 -2.744 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.504 -3.765 0.039 1.00 0.00 H new ATOM 993 N THR A 77 11.871 -4.147 2.982 1.00 0.00 N ATOM 994 CA THR A 77 11.887 -4.509 4.365 1.00 0.00 C ATOM 995 C THR A 77 10.896 -3.687 5.115 1.00 0.00 C ATOM 996 O THR A 77 10.045 -3.029 4.519 1.00 0.00 O ATOM 997 CB THR A 77 13.239 -4.275 4.973 1.00 0.00 C ATOM 998 OG1 THR A 77 13.630 -2.912 4.925 1.00 0.00 O ATOM 999 CG2 THR A 77 14.308 -5.030 4.165 1.00 0.00 C ATOM 0 H THR A 77 12.379 -3.278 2.815 1.00 0.00 H new ATOM 0 HA THR A 77 11.639 -5.568 4.430 1.00 0.00 H new ATOM 0 HB THR A 77 13.164 -4.612 6.007 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.515 -2.811 5.334 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.289 -4.858 4.609 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.087 -6.097 4.177 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.308 -4.671 3.136 1.00 0.00 H new ATOM 1007 N HIS A 78 10.989 -3.618 6.455 1.00 0.00 N ATOM 1008 CA HIS A 78 10.282 -2.662 7.251 1.00 0.00 C ATOM 1009 C HIS A 78 10.718 -1.272 6.943 1.00 0.00 C ATOM 1010 O HIS A 78 9.883 -0.418 6.646 1.00 0.00 O ATOM 1011 CB HIS A 78 10.437 -2.911 8.760 1.00 0.00 C ATOM 1012 CG HIS A 78 9.991 -1.813 9.682 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.524 -1.676 10.936 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.134 -0.772 9.513 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.029 -0.592 11.504 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.176 -0.032 10.666 1.00 0.00 N ATOM 0 H HIS A 78 11.575 -4.248 7.003 1.00 0.00 H new ATOM 0 HA HIS A 78 9.230 -2.785 6.992 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.880 -3.813 9.013 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.488 -3.118 8.963 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.197 -2.311 11.364 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.535 -0.567 8.638 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.280 -0.225 12.488 1.00 0.00 H new ATOM 1025 N LYS A 79 12.031 -0.985 6.998 1.00 0.00 N ATOM 1026 CA LYS A 79 12.554 0.316 6.713 1.00 0.00 C ATOM 1027 C LYS A 79 12.368 0.712 5.288 1.00 0.00 C ATOM 1028 O LYS A 79 11.891 1.809 5.002 1.00 0.00 O ATOM 1029 CB LYS A 79 14.041 0.438 7.091 1.00 0.00 C ATOM 1030 CG LYS A 79 14.338 0.264 8.581 1.00 0.00 C ATOM 1031 CD LYS A 79 15.788 0.628 8.902 1.00 0.00 C ATOM 1032 CE LYS A 79 16.267 0.304 10.318 1.00 0.00 C ATOM 1033 NZ LYS A 79 15.572 1.102 11.351 1.00 0.00 N ATOM 0 H LYS A 79 12.744 -1.671 7.246 1.00 0.00 H new ATOM 0 HA LYS A 79 11.976 1.001 7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.606 -0.308 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.403 1.416 6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.665 0.892 9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.146 -0.768 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.436 0.111 8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.919 1.697 8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.110 -0.756 10.517 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.340 0.485 10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.934 0.843 12.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.742 2.114 11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.551 0.911 11.309 1.00 0.00 H new ATOM 1047 N GLN A 80 12.656 -0.185 4.328 1.00 0.00 N ATOM 1048 CA GLN A 80 12.438 0.063 2.936 1.00 0.00 C ATOM 1049 C GLN A 80 11.008 0.314 2.600 1.00 0.00 C ATOM 1050 O GLN A 80 10.703 1.238 1.848 1.00 0.00 O ATOM 1051 CB GLN A 80 13.002 -1.078 2.072 1.00 0.00 C ATOM 1052 CG GLN A 80 14.210 -0.735 1.197 1.00 0.00 C ATOM 1053 CD GLN A 80 13.840 0.064 -0.043 1.00 0.00 C ATOM 1054 OE1 GLN A 80 13.084 -0.407 -0.891 1.00 0.00 O ATOM 1055 NE2 GLN A 80 14.423 1.284 -0.204 1.00 0.00 N ATOM 0 H GLN A 80 13.050 -1.105 4.524 1.00 0.00 H new ATOM 0 HA GLN A 80 12.980 0.981 2.707 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.280 -1.900 2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.204 -1.443 1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.929 -0.167 1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.705 -1.657 0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.046 1.650 0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.237 1.831 -1.044 1.00 0.00 H new ATOM 1064 N ALA A 81 10.047 -0.452 3.147 1.00 0.00 N ATOM 1065 CA ALA A 81 8.654 -0.216 2.924 1.00 0.00 C ATOM 1066 C ALA A 81 8.145 1.101 3.398 1.00 0.00 C ATOM 1067 O ALA A 81 7.350 1.734 2.704 1.00 0.00 O ATOM 1068 CB ALA A 81 7.814 -1.312 3.600 1.00 0.00 C ATOM 0 H ALA A 81 10.240 -1.248 3.754 1.00 0.00 H new ATOM 0 HA ALA A 81 8.552 -0.224 1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.756 -1.121 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.082 -2.284 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.008 -1.310 4.673 1.00 0.00 H new ATOM 1074 N VAL A 82 8.588 1.581 4.574 1.00 0.00 N ATOM 1075 CA VAL A 82 8.228 2.866 5.090 1.00 0.00 C ATOM 1076 C VAL A 82 8.636 3.958 4.161 1.00 0.00 C ATOM 1077 O VAL A 82 7.839 4.821 3.794 1.00 0.00 O ATOM 1078 CB VAL A 82 8.829 3.112 6.441 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.709 4.572 6.908 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.115 2.211 7.463 1.00 0.00 C ATOM 0 H VAL A 82 9.216 1.059 5.185 1.00 0.00 H new ATOM 0 HA VAL A 82 7.142 2.868 5.187 1.00 0.00 H new ATOM 0 HB VAL A 82 9.893 2.887 6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.165 4.678 7.893 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.220 5.224 6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.657 4.851 6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.540 2.376 8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.052 2.451 7.479 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.247 1.166 7.182 1.00 0.00 H new ATOM 1090 N GLU A 83 9.894 3.941 3.687 1.00 0.00 N ATOM 1091 CA GLU A 83 10.380 4.891 2.736 1.00 0.00 C ATOM 1092 C GLU A 83 9.684 4.844 1.418 1.00 0.00 C ATOM 1093 O GLU A 83 9.395 5.881 0.822 1.00 0.00 O ATOM 1094 CB GLU A 83 11.902 4.767 2.556 1.00 0.00 C ATOM 1095 CG GLU A 83 12.640 5.030 3.871 1.00 0.00 C ATOM 1096 CD GLU A 83 14.123 5.320 3.686 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.554 5.643 2.547 1.00 0.00 O ATOM 1098 OE2 GLU A 83 14.864 5.294 4.704 1.00 0.00 O ATOM 0 H GLU A 83 10.589 3.251 3.971 1.00 0.00 H new ATOM 0 HA GLU A 83 10.149 5.869 3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.147 3.769 2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.240 5.475 1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.173 5.874 4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.526 4.164 4.523 1.00 0.00 H new ATOM 1105 N THR A 84 9.311 3.639 0.950 1.00 0.00 N ATOM 1106 CA THR A 84 8.573 3.398 -0.249 1.00 0.00 C ATOM 1107 C THR A 84 7.200 3.977 -0.224 1.00 0.00 C ATOM 1108 O THR A 84 6.652 4.341 -1.263 1.00 0.00 O ATOM 1109 CB THR A 84 8.532 1.938 -0.592 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.850 1.414 -0.659 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.949 1.640 -1.984 1.00 0.00 C ATOM 0 H THR A 84 9.541 2.777 1.444 1.00 0.00 H new ATOM 0 HA THR A 84 9.115 3.920 -1.037 1.00 0.00 H new ATOM 0 HB THR A 84 7.911 1.496 0.187 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.078 0.992 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.953 0.564 -2.158 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.926 2.012 -2.037 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.554 2.133 -2.745 1.00 0.00 H new ATOM 1119 N LEU A 85 6.584 4.154 0.958 1.00 0.00 N ATOM 1120 CA LEU A 85 5.330 4.824 1.106 1.00 0.00 C ATOM 1121 C LEU A 85 5.460 6.294 1.315 1.00 0.00 C ATOM 1122 O LEU A 85 4.709 7.095 0.761 1.00 0.00 O ATOM 1123 CB LEU A 85 4.572 4.242 2.311 1.00 0.00 C ATOM 1124 CG LEU A 85 4.214 2.755 2.149 1.00 0.00 C ATOM 1125 CD1 LEU A 85 3.875 2.108 3.503 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.069 2.499 1.155 1.00 0.00 C ATOM 0 H LEU A 85 6.972 3.820 1.840 1.00 0.00 H new ATOM 0 HA LEU A 85 4.792 4.665 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.180 4.366 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.657 4.813 2.465 1.00 0.00 H new ATOM 0 HG LEU A 85 5.109 2.291 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.627 1.057 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.735 2.186 4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.023 2.622 3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.873 1.429 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.170 3.013 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.351 2.873 0.171 1.00 0.00 H new ATOM 1138 N ARG A 86 6.416 6.735 2.152 1.00 0.00 N ATOM 1139 CA ARG A 86 6.520 8.085 2.610 1.00 0.00 C ATOM 1140 C ARG A 86 7.324 8.991 1.743 1.00 0.00 C ATOM 1141 O ARG A 86 7.150 10.208 1.789 1.00 0.00 O ATOM 1142 CB ARG A 86 6.875 8.065 4.107 1.00 0.00 C ATOM 1143 CG ARG A 86 8.026 8.910 4.655 1.00 0.00 C ATOM 1144 CD ARG A 86 9.383 8.355 4.216 1.00 0.00 C ATOM 1145 NE ARG A 86 10.477 9.236 4.713 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.843 10.415 4.131 1.00 0.00 C ATOM 1147 NH1 ARG A 86 10.112 11.021 3.151 1.00 0.00 N ATOM 1148 NH2 ARG A 86 11.964 11.071 4.553 1.00 0.00 N ATOM 0 H ARG A 86 7.145 6.127 2.524 1.00 0.00 H new ATOM 0 HA ARG A 86 5.549 8.571 2.512 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.977 8.357 4.652 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.086 7.029 4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.922 9.938 4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.976 8.934 5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.514 7.344 4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.424 8.288 3.129 1.00 0.00 H new ATOM 0 HE ARG A 86 10.987 8.938 5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.247 10.592 2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.430 11.903 2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.531 10.680 5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.234 11.952 4.116 1.00 0.00 H new ATOM 1162 N ASN A 87 8.246 8.483 0.907 1.00 0.00 N ATOM 1163 CA ASN A 87 9.097 9.257 0.057 1.00 0.00 C ATOM 1164 C ASN A 87 8.620 9.231 -1.354 1.00 0.00 C ATOM 1165 O ASN A 87 9.372 9.221 -2.327 1.00 0.00 O ATOM 1166 CB ASN A 87 10.547 8.758 0.179 1.00 0.00 C ATOM 1167 CG ASN A 87 11.661 9.691 -0.274 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.363 10.971 -0.623 1.00 0.00 O flip ATOM 1169 ND2 ASN A 87 12.818 9.271 -0.297 1.00 0.00 N flip ATOM 0 H ASN A 87 8.406 7.480 0.819 1.00 0.00 H new ATOM 0 HA ASN A 87 9.065 10.298 0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.727 8.505 1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.632 7.834 -0.392 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.016 8.307 -0.031 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.579 9.888 -0.582 1.00 0.00 H new ATOM 1176 N THR A 88 7.285 9.253 -1.518 1.00 0.00 N ATOM 1177 CA THR A 88 6.556 9.230 -2.748 1.00 0.00 C ATOM 1178 C THR A 88 6.356 10.607 -3.282 1.00 0.00 C ATOM 1179 O THR A 88 6.916 11.570 -2.759 1.00 0.00 O ATOM 1180 CB THR A 88 5.237 8.559 -2.505 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.629 9.069 -1.328 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.517 7.070 -2.238 1.00 0.00 C ATOM 0 H THR A 88 6.660 9.290 -0.713 1.00 0.00 H new ATOM 0 HA THR A 88 7.123 8.675 -3.495 1.00 0.00 H new ATOM 0 HB THR A 88 4.589 8.724 -3.366 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.660 8.389 -0.623 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.577 6.550 -2.057 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.013 6.632 -3.104 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.160 6.972 -1.364 1.00 0.00 H new ATOM 1190 N GLY A 89 5.545 10.781 -4.339 1.00 0.00 N ATOM 1191 CA GLY A 89 5.251 12.053 -4.924 1.00 0.00 C ATOM 1192 C GLY A 89 3.831 12.457 -4.727 1.00 0.00 C ATOM 1193 O GLY A 89 3.090 12.624 -5.695 1.00 0.00 O ATOM 0 H GLY A 89 5.075 10.005 -4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.904 12.809 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.471 12.018 -5.991 1.00 0.00 H new ATOM 1197 N GLN A 90 3.416 12.633 -3.460 1.00 0.00 N ATOM 1198 CA GLN A 90 2.139 13.084 -3.000 1.00 0.00 C ATOM 1199 C GLN A 90 1.041 12.088 -3.146 1.00 0.00 C ATOM 1200 O GLN A 90 0.375 11.729 -2.176 1.00 0.00 O ATOM 1201 CB GLN A 90 1.808 14.473 -3.574 1.00 0.00 C ATOM 1202 CG GLN A 90 0.661 15.205 -2.876 1.00 0.00 C ATOM 1203 CD GLN A 90 0.597 16.633 -3.396 1.00 0.00 C ATOM 1204 OE1 GLN A 90 0.233 16.883 -4.544 1.00 0.00 O ATOM 1205 NE2 GLN A 90 1.001 17.616 -2.547 1.00 0.00 N ATOM 0 H GLN A 90 4.042 12.438 -2.679 1.00 0.00 H new ATOM 0 HA GLN A 90 2.220 13.195 -1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.702 15.094 -3.519 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.560 14.363 -4.630 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.283 14.693 -3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.815 15.204 -1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.298 17.382 -1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.007 18.588 -2.858 1.00 0.00 H new ATOM 1214 N VAL A 91 0.843 11.563 -4.369 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.016 10.453 -4.638 1.00 0.00 C ATOM 1216 C VAL A 91 0.698 9.176 -4.354 1.00 0.00 C ATOM 1217 O VAL A 91 1.826 8.929 -4.778 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.572 10.421 -6.030 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.169 9.053 -6.404 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.655 11.512 -6.083 1.00 0.00 C ATOM 0 H VAL A 91 1.301 11.928 -5.204 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.872 10.575 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 91 0.227 10.596 -6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.556 9.091 -7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.395 8.288 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.980 8.810 -5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.098 11.536 -7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.428 11.293 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.207 12.481 -5.862 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.004 8.302 -3.611 1.00 0.00 N ATOM 1231 CA VAL A 92 0.398 6.954 -3.354 1.00 0.00 C ATOM 1232 C VAL A 92 -0.649 6.075 -3.947 1.00 0.00 C ATOM 1233 O VAL A 92 -1.776 6.019 -3.459 1.00 0.00 O ATOM 1234 CB VAL A 92 0.516 6.724 -1.875 1.00 0.00 C ATOM 1235 CG1 VAL A 92 1.086 5.320 -1.614 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.474 7.782 -1.305 1.00 0.00 C ATOM 0 H VAL A 92 -0.891 8.546 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 92 1.372 6.739 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.462 6.800 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.171 5.156 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.421 4.571 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.071 5.236 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.578 7.637 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.450 7.683 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.075 8.777 -1.500 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.334 5.360 -5.042 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.191 4.349 -5.580 1.00 0.00 C ATOM 1248 C HIS A 93 -0.933 3.076 -4.851 1.00 0.00 C ATOM 1249 O HIS A 93 0.076 2.413 -5.091 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.038 4.077 -7.085 1.00 0.00 C ATOM 1251 CG HIS A 93 -0.949 5.292 -7.962 1.00 0.00 C ATOM 1252 ND1 HIS A 93 0.205 6.048 -7.950 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -1.824 5.781 -8.880 1.00 0.00 C ATOM 1254 CE1 HIS A 93 0.006 6.999 -8.843 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -1.213 6.887 -9.435 1.00 0.00 N ATOM 0 H HIS A 93 0.533 5.487 -5.564 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.205 4.727 -5.448 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.142 3.476 -7.237 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.885 3.475 -7.414 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -2.798 5.385 -9.125 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.724 7.772 -9.075 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.601 7.502 -10.151 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.797 2.681 -3.899 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.567 1.556 -3.047 1.00 0.00 C ATOM 1265 C LEU A 94 -2.080 0.297 -3.653 1.00 0.00 C ATOM 1266 O LEU A 94 -3.285 0.076 -3.775 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.217 1.733 -1.663 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.494 2.783 -0.803 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.458 3.439 0.199 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.251 2.168 -0.140 1.00 0.00 C ATOM 0 H LEU A 94 -2.680 3.157 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.486 1.491 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.259 2.027 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.216 0.777 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.140 3.589 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.919 4.177 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.267 3.930 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.873 2.676 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.250 2.924 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.552 1.335 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.432 1.809 -0.910 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.159 -0.600 -4.046 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.484 -1.873 -4.609 1.00 0.00 C ATOM 1284 C LEU A 95 -1.597 -2.861 -3.499 1.00 0.00 C ATOM 1285 O LEU A 95 -0.625 -3.474 -3.061 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.449 -2.194 -5.700 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.068 -2.801 -6.970 1.00 0.00 C ATOM 1288 CD1 LEU A 95 -0.287 -2.347 -8.215 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -1.100 -4.338 -6.917 1.00 0.00 C ATOM 0 H LEU A 95 -0.156 -0.434 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.451 -1.895 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.083 -1.281 -5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.289 -2.888 -5.297 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.096 -2.444 -7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.737 -2.785 -9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.320 -1.260 -8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.750 -2.674 -8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.545 -4.724 -7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.084 -4.720 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.694 -4.660 -6.062 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.828 -2.963 -2.967 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.228 -3.712 -1.816 1.00 0.00 C ATOM 1303 C LEU A 96 -3.942 -4.964 -2.196 1.00 0.00 C ATOM 1304 O LEU A 96 -4.636 -5.017 -3.210 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.205 -2.867 -0.982 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.584 -1.650 -0.275 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.587 -0.487 -0.191 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.087 -2.031 1.129 1.00 0.00 C ATOM 0 H LEU A 96 -3.618 -2.472 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.327 -3.964 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.006 -2.518 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.664 -3.509 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.730 -1.320 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.121 0.360 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.886 -0.191 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.466 -0.804 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.652 -1.156 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.924 -2.395 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.332 -2.813 1.048 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.819 -6.033 -1.388 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.622 -7.211 -1.502 1.00 0.00 C ATOM 1322 C GLU A 97 -5.079 -7.635 -0.149 1.00 0.00 C ATOM 1323 O GLU A 97 -4.328 -7.569 0.822 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.827 -8.354 -2.156 1.00 0.00 C ATOM 1325 CG GLU A 97 -4.653 -9.578 -2.558 1.00 0.00 C ATOM 1326 CD GLU A 97 -3.831 -10.533 -3.414 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -2.809 -11.063 -2.904 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -4.197 -10.758 -4.599 1.00 0.00 O ATOM 0 H GLU A 97 -3.138 -6.079 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.483 -6.983 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.328 -7.966 -3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.047 -8.674 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.003 -10.095 -1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.538 -9.259 -3.109 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.334 -8.101 -0.008 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.919 -8.419 1.257 1.00 0.00 C ATOM 1337 C LYS A 98 -6.550 -9.777 1.748 1.00 0.00 C ATOM 1338 O LYS A 98 -7.407 -10.634 1.961 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.456 -8.380 1.216 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.112 -7.066 0.783 1.00 0.00 C ATOM 1341 CD LYS A 98 -8.894 -5.914 1.765 1.00 0.00 C ATOM 1342 CE LYS A 98 -9.424 -6.148 3.182 1.00 0.00 C ATOM 1343 NZ LYS A 98 -10.899 -6.269 3.213 1.00 0.00 N ATOM 0 H LYS A 98 -6.959 -8.261 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.525 -7.655 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.796 -9.166 0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.827 -8.631 2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.719 -6.779 -0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.183 -7.229 0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.825 -5.708 1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.369 -5.020 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.978 -7.055 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.115 -5.324 3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.195 -6.673 4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.327 -5.328 3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.213 -6.891 2.441 1.00 0.00 H new ATOM 1357 N GLY A 99 -5.255 -10.046 1.986 1.00 0.00 N ATOM 1358 CA GLY A 99 -4.749 -11.306 2.435 1.00 0.00 C ATOM 1359 C GLY A 99 -4.891 -12.388 1.422 1.00 0.00 C ATOM 1360 O GLY A 99 -3.987 -12.611 0.618 1.00 0.00 O ATOM 0 H GLY A 99 -4.522 -9.348 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.696 -11.196 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.273 -11.598 3.345 1.00 0.00 H new ATOM 1364 N GLN A 100 -6.050 -13.069 1.449 1.00 0.00 N ATOM 1365 CA GLN A 100 -6.588 -13.911 0.426 1.00 0.00 C ATOM 1366 C GLN A 100 -7.888 -14.493 0.863 1.00 0.00 C ATOM 1367 O GLN A 100 -8.758 -14.769 0.039 1.00 0.00 O ATOM 1368 CB GLN A 100 -5.677 -15.018 -0.132 1.00 0.00 C ATOM 1369 CG GLN A 100 -5.165 -16.018 0.907 1.00 0.00 C ATOM 1370 CD GLN A 100 -3.922 -16.789 0.488 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -3.236 -17.343 1.345 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -3.595 -16.832 -0.832 1.00 0.00 N ATOM 0 H GLN A 100 -6.665 -13.025 2.262 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.713 -13.231 -0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.223 -15.564 -0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.820 -14.552 -0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.949 -15.482 1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.960 -16.730 1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.185 -16.362 -1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.760 -17.334 -1.135 1.00 0.00 H new ATOM 1381 N VAL A 101 -8.066 -14.725 2.176 1.00 0.00 N ATOM 1382 CA VAL A 101 -9.255 -15.271 2.752 1.00 0.00 C ATOM 1383 C VAL A 101 -10.192 -14.201 3.197 1.00 0.00 C ATOM 1384 O VAL A 101 -9.773 -13.047 3.278 1.00 0.00 O ATOM 1385 CB VAL A 101 -8.916 -16.183 3.893 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -8.234 -17.448 3.346 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -8.032 -15.479 4.936 1.00 0.00 C ATOM 0 H VAL A 101 -7.346 -14.522 2.869 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.760 -15.850 1.979 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.837 -16.466 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.986 -18.114 4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.910 -17.958 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.322 -17.170 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.807 -16.170 5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.103 -15.155 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.559 -14.612 5.334 1.00 0.00 H new ATOM 1397 N PRO A 102 -11.433 -14.457 3.488 1.00 0.00 N ATOM 1398 CA PRO A 102 -12.352 -13.439 3.907 1.00 0.00 C ATOM 1399 C PRO A 102 -12.000 -12.728 5.169 1.00 0.00 C ATOM 1400 O PRO A 102 -11.651 -13.371 6.194 1.00 0.00 O ATOM 1401 CB PRO A 102 -13.684 -14.163 4.082 1.00 0.00 C ATOM 1402 CG PRO A 102 -13.619 -15.290 3.039 1.00 0.00 C ATOM 1403 CD PRO A 102 -12.129 -15.669 3.085 1.00 0.00 C ATOM 1404 OXT PRO A 102 -12.102 -11.472 5.183 1.00 0.00 O ATOM 0 HA PRO A 102 -12.357 -12.647 3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -13.797 -14.557 5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -14.529 -13.498 3.903 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -14.263 -16.129 3.302 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -13.925 -14.951 2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -11.951 -16.478 3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -11.782 -16.016 2.112 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 8.099 -3.410 18.775 1.00 0.00 N ATOM 1414 CA TYR B 205 9.341 -3.453 18.067 1.00 0.00 C ATOM 1415 C TYR B 205 9.166 -2.996 16.660 1.00 0.00 C ATOM 1416 O TYR B 205 9.959 -2.220 16.129 1.00 0.00 O ATOM 1417 CB TYR B 205 10.057 -4.809 18.183 1.00 0.00 C ATOM 1418 CG TYR B 205 9.251 -5.980 17.732 1.00 0.00 C ATOM 1419 CD1 TYR B 205 8.427 -6.641 18.611 1.00 0.00 C ATOM 1420 CD2 TYR B 205 9.354 -6.441 16.441 1.00 0.00 C ATOM 1421 CE1 TYR B 205 7.697 -7.735 18.207 1.00 0.00 C ATOM 1422 CE2 TYR B 205 8.626 -7.531 16.026 1.00 0.00 C ATOM 1423 CZ TYR B 205 7.795 -8.178 16.909 1.00 0.00 C ATOM 1424 OH TYR B 205 7.083 -9.321 16.487 1.00 0.00 O ATOM 0 HA TYR B 205 10.015 -2.747 18.552 1.00 0.00 H new ATOM 0 HB2 TYR B 205 10.976 -4.771 17.598 1.00 0.00 H new ATOM 0 HB3 TYR B 205 10.347 -4.964 19.222 1.00 0.00 H new ATOM 0 HD1 TYR B 205 8.351 -6.297 19.632 1.00 0.00 H new ATOM 0 HD2 TYR B 205 10.013 -5.942 15.746 1.00 0.00 H new ATOM 0 HE1 TYR B 205 7.050 -8.244 18.906 1.00 0.00 H new ATOM 0 HE2 TYR B 205 8.707 -7.879 15.007 1.00 0.00 H new ATOM 0 HH TYR B 205 7.268 -9.490 15.540 1.00 0.00 H new ATOM 1434 N LEU B 206 8.089 -3.447 15.993 1.00 0.00 N ATOM 1435 CA LEU B 206 7.772 -3.144 14.632 1.00 0.00 C ATOM 1436 C LEU B 206 6.963 -1.895 14.559 1.00 0.00 C ATOM 1437 O LEU B 206 7.036 -1.061 15.461 1.00 0.00 O ATOM 1438 CB LEU B 206 7.073 -4.381 14.042 1.00 0.00 C ATOM 1439 CG LEU B 206 6.842 -4.485 12.525 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.952 -3.855 11.668 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.780 -5.982 12.179 1.00 0.00 C ATOM 0 H LEU B 206 7.400 -4.059 16.430 1.00 0.00 H new ATOM 0 HA LEU B 206 8.662 -2.940 14.036 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.652 -5.254 14.342 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.099 -4.464 14.524 1.00 0.00 H new ATOM 0 HG LEU B 206 5.926 -3.939 12.300 1.00 0.00 H new ATOM 0 HD11 LEU B 206 7.708 -3.974 10.612 1.00 0.00 H new ATOM 0 HD12 LEU B 206 8.036 -2.794 11.904 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.900 -4.350 11.879 1.00 0.00 H new ATOM 0 HD21 LEU B 206 6.617 -6.101 11.108 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.719 -6.459 12.458 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.960 -6.448 12.725 1.00 0.00 H new ATOM 1453 N VAL B 207 6.186 -1.695 13.479 1.00 0.00 N ATOM 1454 CA VAL B 207 5.256 -0.634 13.253 1.00 0.00 C ATOM 1455 C VAL B 207 5.805 0.743 13.102 1.00 0.00 C ATOM 1456 O VAL B 207 6.676 1.233 13.819 1.00 0.00 O ATOM 1457 CB VAL B 207 3.941 -0.697 13.972 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.218 -1.985 13.544 1.00 0.00 C ATOM 1459 CG2 VAL B 207 4.048 -0.612 15.504 1.00 0.00 C ATOM 0 H VAL B 207 6.214 -2.341 12.690 1.00 0.00 H new ATOM 0 HA VAL B 207 4.984 -0.900 12.231 1.00 0.00 H new ATOM 0 HB VAL B 207 3.372 0.188 13.687 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.258 -2.051 14.056 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.054 -1.969 12.466 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.829 -2.849 13.806 1.00 0.00 H new ATOM 0 HG21 VAL B 207 3.051 -0.665 15.942 1.00 0.00 H new ATOM 0 HG22 VAL B 207 4.651 -1.441 15.873 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.518 0.331 15.784 1.00 0.00 H new ATOM 1469 N THR B 208 5.285 1.418 12.060 1.00 0.00 N ATOM 1470 CA THR B 208 5.596 2.775 11.730 1.00 0.00 C ATOM 1471 C THR B 208 4.347 3.204 11.037 1.00 0.00 C ATOM 1472 O THR B 208 3.985 2.600 10.030 1.00 0.00 O ATOM 1473 CB THR B 208 6.724 2.968 10.762 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.955 2.460 11.256 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.951 4.458 10.456 1.00 0.00 C ATOM 0 H THR B 208 4.615 0.996 11.417 1.00 0.00 H new ATOM 0 HA THR B 208 5.903 3.316 12.625 1.00 0.00 H new ATOM 0 HB THR B 208 6.429 2.424 9.865 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.057 1.525 10.981 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.776 4.563 9.751 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.046 4.882 10.021 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.193 4.986 11.378 1.00 0.00 H new ATOM 1483 N SER B 209 3.640 4.213 11.575 1.00 0.00 N ATOM 1484 CA SER B 209 2.532 4.840 10.923 1.00 0.00 C ATOM 1485 C SER B 209 3.024 5.801 9.897 1.00 0.00 C ATOM 1486 O SER B 209 3.920 6.612 10.129 1.00 0.00 O ATOM 1487 CB SER B 209 1.476 5.462 11.852 1.00 0.00 C ATOM 1488 OG SER B 209 1.963 6.523 12.662 1.00 0.00 O ATOM 0 H SER B 209 3.846 4.606 12.494 1.00 0.00 H new ATOM 0 HA SER B 209 1.982 4.036 10.435 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.649 5.833 11.246 1.00 0.00 H new ATOM 0 HB3 SER B 209 1.073 4.682 12.498 1.00 0.00 H new ATOM 0 HG SER B 209 1.236 6.867 13.222 1.00 0.00 H new ATOM 1494 N VAL B 210 2.499 5.670 8.665 1.00 0.00 N ATOM 1495 CA VAL B 210 3.141 6.122 7.469 1.00 0.00 C ATOM 1496 C VAL B 210 2.009 6.140 6.451 1.00 0.00 C ATOM 1497 O VAL B 210 0.882 5.658 6.745 1.00 0.00 O ATOM 1498 CB VAL B 210 4.278 5.228 7.072 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.790 3.826 6.668 1.00 0.00 C ATOM 1500 CG2 VAL B 210 5.130 5.882 5.971 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.220 6.760 5.375 1.00 0.00 O ATOM 0 H VAL B 210 1.593 5.233 8.495 1.00 0.00 H new ATOM 0 HA VAL B 210 3.612 7.099 7.575 1.00 0.00 H new ATOM 0 HB VAL B 210 4.916 5.093 7.945 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.644 3.210 6.388 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.271 3.365 7.508 1.00 0.00 H new ATOM 0 HG13 VAL B 210 3.108 3.908 5.821 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.948 5.215 5.700 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.510 6.071 5.095 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.537 6.825 6.337 1.00 0.00 H new TER 1511 VAL B 210