USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 569 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 38 MET CE :methyl -149:sc= -0.665 (180deg=-1.92!) USER MOD Set 1.2: A 48 MET CE :methyl 160:sc= -4.62! (180deg=-5.6!) USER MOD Set 2.1: A 20 THR OG1 : rot 81:sc= 0.834 USER MOD Set 2.2: A 51 TYR OH : rot 54:sc= 0.362 USER MOD Single : A 1 ALA N :NH3+ -166:sc= 1.24 (180deg=1.22) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0698) USER MOD Single : A 4 GLN : amide:sc= -2.95! C(o=-2.9!,f=-6.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 14 GLN : amide:sc= -0.36 K(o=-0.36,f=-3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.44 X(o=-2.4,f=-2.4!) USER MOD Single : A 22 SER OG : rot 74:sc= 1.27 USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= 0.861 (180deg=0.444) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -76:sc= 0.944 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 51:sc= 1.13 USER MOD Single : A 40 SER OG : rot 89:sc= 0.0234 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.26 K(o=0.26,f=-6.7!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0564 X(o=-0.056,f=-0.056) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 106:sc= 1.36 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.131 11.122 6.131 1.00 0.00 N ATOM 2 CA ALA A 1 -5.409 12.361 5.402 1.00 0.00 C ATOM 3 C ALA A 1 -4.396 12.508 4.321 1.00 0.00 C ATOM 4 O ALA A 1 -3.220 12.719 4.608 1.00 0.00 O ATOM 5 CB ALA A 1 -5.352 13.562 6.329 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.949 10.878 6.725 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.954 10.353 5.454 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.293 11.254 6.732 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.413 12.313 4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.562 14.469 5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.094 13.447 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.359 13.633 6.772 1.00 0.00 H new ATOM 13 N ASP A 2 -4.833 12.387 3.085 1.00 0.00 N ATOM 14 CA ASP A 2 -3.920 12.402 1.957 1.00 0.00 C ATOM 15 C ASP A 2 -4.660 12.638 0.628 1.00 0.00 C ATOM 16 O ASP A 2 -4.819 13.791 0.206 1.00 0.00 O ATOM 17 CB ASP A 2 -3.029 11.117 1.936 1.00 0.00 C ATOM 18 CG ASP A 2 -3.828 9.833 2.105 1.00 0.00 C ATOM 19 OD1 ASP A 2 -3.991 9.344 3.269 1.00 0.00 O ATOM 20 OD2 ASP A 2 -4.348 9.336 1.104 1.00 0.00 O ATOM 0 H ASP A 2 -5.815 12.277 2.834 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.246 13.249 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.483 11.076 0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.287 11.184 2.732 1.00 0.00 H new ATOM 25 N LYS A 3 -5.136 11.582 0.000 1.00 0.00 N ATOM 26 CA LYS A 3 -5.883 11.676 -1.236 1.00 0.00 C ATOM 27 C LYS A 3 -7.243 12.293 -0.969 1.00 0.00 C ATOM 28 O LYS A 3 -7.600 13.321 -1.544 1.00 0.00 O ATOM 29 CB LYS A 3 -6.037 10.287 -1.879 1.00 0.00 C ATOM 30 CG LYS A 3 -6.851 10.285 -3.163 1.00 0.00 C ATOM 31 CD LYS A 3 -6.967 8.892 -3.755 1.00 0.00 C ATOM 32 CE LYS A 3 -7.870 8.879 -4.982 1.00 0.00 C ATOM 33 NZ LYS A 3 -7.391 9.771 -6.067 1.00 0.00 N ATOM 0 H LYS A 3 -5.014 10.627 0.337 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.337 12.314 -1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.046 9.884 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.509 9.616 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.847 10.679 -2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.385 10.951 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.976 8.528 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.363 8.208 -3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.941 7.860 -5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.876 9.181 -4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.976 9.631 -6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.460 10.762 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.400 9.546 -6.289 1.00 0.00 H new ATOM 47 N GLN A 4 -7.984 11.687 -0.076 1.00 0.00 N ATOM 48 CA GLN A 4 -9.275 12.195 0.268 1.00 0.00 C ATOM 49 C GLN A 4 -9.102 13.093 1.451 1.00 0.00 C ATOM 50 O GLN A 4 -8.354 12.774 2.388 1.00 0.00 O ATOM 51 CB GLN A 4 -10.275 11.080 0.545 1.00 0.00 C ATOM 52 CG GLN A 4 -11.718 11.536 0.499 1.00 0.00 C ATOM 53 CD GLN A 4 -12.693 10.477 0.956 1.00 0.00 C ATOM 54 OE1 GLN A 4 -12.380 9.651 1.810 1.00 0.00 O ATOM 55 NE2 GLN A 4 -13.860 10.489 0.401 1.00 0.00 N ATOM 0 H GLN A 4 -7.709 10.841 0.423 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.690 12.753 -0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.131 10.284 -0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.068 10.653 1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.833 12.420 1.126 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.966 11.833 -0.520 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.082 11.191 -0.305 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.559 9.796 0.669 1.00 0.00 H new ATOM 64 N THR A 5 -9.709 14.237 1.374 1.00 0.00 N ATOM 65 CA THR A 5 -9.535 15.238 2.375 1.00 0.00 C ATOM 66 C THR A 5 -10.902 15.772 2.842 1.00 0.00 C ATOM 67 O THR A 5 -11.048 16.944 3.174 1.00 0.00 O ATOM 68 CB THR A 5 -8.701 16.383 1.765 1.00 0.00 C ATOM 69 OG1 THR A 5 -7.830 15.831 0.753 1.00 0.00 O ATOM 70 CG2 THR A 5 -7.824 16.982 2.819 1.00 0.00 C ATOM 0 H THR A 5 -10.338 14.501 0.616 1.00 0.00 H new ATOM 0 HA THR A 5 -9.024 14.816 3.240 1.00 0.00 H new ATOM 0 HB THR A 5 -9.373 17.134 1.351 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.295 16.549 0.355 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.235 17.791 2.386 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.442 17.375 3.626 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.155 16.217 3.213 1.00 0.00 H new ATOM 78 N HIS A 6 -11.894 14.899 2.882 1.00 0.00 N ATOM 79 CA HIS A 6 -13.233 15.287 3.350 1.00 0.00 C ATOM 80 C HIS A 6 -13.255 15.188 4.861 1.00 0.00 C ATOM 81 O HIS A 6 -13.989 15.899 5.550 1.00 0.00 O ATOM 82 CB HIS A 6 -14.335 14.405 2.731 1.00 0.00 C ATOM 83 CG HIS A 6 -14.485 14.537 1.234 1.00 0.00 C ATOM 84 ND1 HIS A 6 -15.672 14.819 0.599 1.00 0.00 N ATOM 85 CD2 HIS A 6 -13.574 14.384 0.248 1.00 0.00 C ATOM 86 CE1 HIS A 6 -15.453 14.825 -0.709 1.00 0.00 C ATOM 87 NE2 HIS A 6 -14.189 14.564 -0.977 1.00 0.00 N ATOM 0 H HIS A 6 -11.809 13.922 2.601 1.00 0.00 H new ATOM 0 HA HIS A 6 -13.438 16.310 3.035 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -14.124 13.363 2.970 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -15.287 14.654 3.201 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.528 14.157 0.394 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -16.210 15.018 -1.455 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -13.754 14.507 -1.898 1.00 0.00 H new ATOM 95 N GLU A 7 -12.424 14.306 5.342 1.00 0.00 N ATOM 96 CA GLU A 7 -12.170 14.068 6.731 1.00 0.00 C ATOM 97 C GLU A 7 -10.690 13.798 6.845 1.00 0.00 C ATOM 98 O GLU A 7 -9.980 13.819 5.830 1.00 0.00 O ATOM 99 CB GLU A 7 -12.939 12.837 7.241 1.00 0.00 C ATOM 100 CG GLU A 7 -14.445 12.977 7.253 1.00 0.00 C ATOM 101 CD GLU A 7 -15.124 11.744 7.779 1.00 0.00 C ATOM 102 OE1 GLU A 7 -15.207 11.579 9.019 1.00 0.00 O ATOM 103 OE2 GLU A 7 -15.608 10.935 6.977 1.00 0.00 O ATOM 0 H GLU A 7 -11.874 13.698 4.735 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.490 14.925 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.675 11.981 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.603 12.613 8.253 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.724 13.834 7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.798 13.181 6.242 1.00 0.00 H new ATOM 110 N THR A 8 -10.217 13.522 8.032 1.00 0.00 N ATOM 111 CA THR A 8 -8.810 13.191 8.218 1.00 0.00 C ATOM 112 C THR A 8 -8.578 11.736 7.840 1.00 0.00 C ATOM 113 O THR A 8 -7.450 11.282 7.595 1.00 0.00 O ATOM 114 CB THR A 8 -8.387 13.453 9.672 1.00 0.00 C ATOM 115 OG1 THR A 8 -8.995 14.684 10.117 1.00 0.00 O ATOM 116 CG2 THR A 8 -6.871 13.592 9.790 1.00 0.00 C ATOM 0 H THR A 8 -10.774 13.517 8.887 1.00 0.00 H new ATOM 0 HA THR A 8 -8.201 13.824 7.572 1.00 0.00 H new ATOM 0 HB THR A 8 -8.710 12.610 10.283 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.734 14.861 11.045 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.602 13.777 10.830 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.394 12.673 9.450 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.533 14.426 9.174 1.00 0.00 H new ATOM 124 N GLU A 9 -9.645 11.066 7.721 1.00 0.00 N ATOM 125 CA GLU A 9 -9.664 9.688 7.400 1.00 0.00 C ATOM 126 C GLU A 9 -10.260 9.516 6.031 1.00 0.00 C ATOM 127 O GLU A 9 -10.889 10.436 5.512 1.00 0.00 O ATOM 128 CB GLU A 9 -10.444 8.939 8.456 1.00 0.00 C ATOM 129 CG GLU A 9 -11.870 9.426 8.643 1.00 0.00 C ATOM 130 CD GLU A 9 -12.551 8.734 9.775 1.00 0.00 C ATOM 131 OE1 GLU A 9 -13.351 7.805 9.538 1.00 0.00 O ATOM 132 OE2 GLU A 9 -12.295 9.100 10.936 1.00 0.00 O ATOM 0 H GLU A 9 -10.573 11.469 7.848 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.654 9.279 7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.465 7.881 8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.917 9.021 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.865 10.501 8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.433 9.260 7.725 1.00 0.00 H new ATOM 139 N LEU A 10 -10.049 8.386 5.444 1.00 0.00 N ATOM 140 CA LEU A 10 -10.528 8.122 4.121 1.00 0.00 C ATOM 141 C LEU A 10 -11.314 6.841 4.164 1.00 0.00 C ATOM 142 O LEU A 10 -11.386 6.192 5.213 1.00 0.00 O ATOM 143 CB LEU A 10 -9.373 7.939 3.128 1.00 0.00 C ATOM 144 CG LEU A 10 -8.089 8.753 3.344 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.212 8.093 4.402 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.336 8.863 2.052 1.00 0.00 C ATOM 0 H LEU A 10 -9.537 7.612 5.868 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.134 8.967 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.101 6.884 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.751 8.172 2.133 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.360 9.751 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.306 8.682 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.758 8.036 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.944 7.088 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.426 9.441 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.076 7.866 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.959 9.362 1.309 1.00 0.00 H new ATOM 158 N THR A 11 -11.870 6.455 3.053 1.00 0.00 N ATOM 159 CA THR A 11 -12.646 5.245 2.996 1.00 0.00 C ATOM 160 C THR A 11 -11.795 4.110 2.496 1.00 0.00 C ATOM 161 O THR A 11 -10.644 4.316 2.105 1.00 0.00 O ATOM 162 CB THR A 11 -13.884 5.397 2.092 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.454 5.616 0.739 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.734 6.574 2.532 1.00 0.00 C ATOM 0 H THR A 11 -11.802 6.961 2.170 1.00 0.00 H new ATOM 0 HA THR A 11 -12.993 5.032 4.007 1.00 0.00 H new ATOM 0 HB THR A 11 -14.479 4.487 2.163 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.238 5.712 0.158 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.602 6.661 1.878 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.067 6.419 3.558 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.145 7.489 2.476 1.00 0.00 H new ATOM 172 N PHE A 12 -12.365 2.928 2.480 1.00 0.00 N ATOM 173 CA PHE A 12 -11.660 1.755 2.050 1.00 0.00 C ATOM 174 C PHE A 12 -11.289 1.855 0.575 1.00 0.00 C ATOM 175 O PHE A 12 -10.192 1.500 0.152 1.00 0.00 O ATOM 176 CB PHE A 12 -12.474 0.493 2.351 1.00 0.00 C ATOM 177 CG PHE A 12 -11.790 -0.781 1.964 1.00 0.00 C ATOM 178 CD1 PHE A 12 -10.527 -1.077 2.438 1.00 0.00 C ATOM 179 CD2 PHE A 12 -12.412 -1.686 1.137 1.00 0.00 C ATOM 180 CE1 PHE A 12 -9.899 -2.244 2.088 1.00 0.00 C ATOM 181 CE2 PHE A 12 -11.788 -2.860 0.785 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.523 -3.140 1.264 1.00 0.00 C ATOM 0 H PHE A 12 -13.329 2.758 2.765 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.729 1.684 2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.698 0.463 3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.428 0.555 1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.027 -0.379 3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.401 -1.473 0.760 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.909 -2.457 2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.287 -3.563 0.134 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.030 -4.061 0.990 1.00 0.00 H new ATOM 192 N ASP A 13 -12.235 2.428 -0.172 1.00 0.00 N ATOM 193 CA ASP A 13 -12.031 2.741 -1.597 1.00 0.00 C ATOM 194 C ASP A 13 -10.916 3.737 -1.778 1.00 0.00 C ATOM 195 O ASP A 13 -10.069 3.585 -2.648 1.00 0.00 O ATOM 196 CB ASP A 13 -13.303 3.286 -2.276 1.00 0.00 C ATOM 197 CG ASP A 13 -14.354 2.239 -2.544 1.00 0.00 C ATOM 198 OD1 ASP A 13 -15.327 2.146 -1.767 1.00 0.00 O ATOM 199 OD2 ASP A 13 -14.221 1.472 -3.529 1.00 0.00 O ATOM 0 H ASP A 13 -13.155 2.687 0.184 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.768 1.797 -2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.733 4.064 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.025 3.757 -3.219 1.00 0.00 H new ATOM 204 N GLN A 14 -10.876 4.718 -0.893 1.00 0.00 N ATOM 205 CA GLN A 14 -9.897 5.788 -1.011 1.00 0.00 C ATOM 206 C GLN A 14 -8.532 5.291 -0.652 1.00 0.00 C ATOM 207 O GLN A 14 -7.534 5.678 -1.260 1.00 0.00 O ATOM 208 CB GLN A 14 -10.255 6.982 -0.162 1.00 0.00 C ATOM 209 CG GLN A 14 -11.524 7.673 -0.572 1.00 0.00 C ATOM 210 CD GLN A 14 -11.476 8.122 -1.992 1.00 0.00 C ATOM 211 OE1 GLN A 14 -11.017 9.209 -2.294 1.00 0.00 O ATOM 212 NE2 GLN A 14 -11.978 7.320 -2.863 1.00 0.00 N ATOM 0 H GLN A 14 -11.503 4.797 -0.092 1.00 0.00 H new ATOM 0 HA GLN A 14 -9.899 6.113 -2.052 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.349 6.661 0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.435 7.700 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.367 6.997 -0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.695 8.533 0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.353 6.418 -2.569 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.002 7.586 -3.847 1.00 0.00 H new ATOM 221 N VAL A 15 -8.490 4.435 0.338 1.00 0.00 N ATOM 222 CA VAL A 15 -7.262 3.930 0.820 1.00 0.00 C ATOM 223 C VAL A 15 -6.703 2.979 -0.205 1.00 0.00 C ATOM 224 O VAL A 15 -5.503 2.993 -0.492 1.00 0.00 O ATOM 225 CB VAL A 15 -7.367 3.284 2.211 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.048 2.646 2.528 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.651 4.346 3.265 1.00 0.00 C ATOM 0 H VAL A 15 -9.314 4.079 0.822 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.579 4.767 0.961 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.174 2.551 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.097 2.180 3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.821 1.888 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.266 3.406 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.723 3.875 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.843 5.077 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.591 4.847 3.033 1.00 0.00 H new ATOM 237 N LYS A 16 -7.556 2.164 -0.773 1.00 0.00 N ATOM 238 CA LYS A 16 -7.156 1.322 -1.850 1.00 0.00 C ATOM 239 C LYS A 16 -6.573 2.137 -2.981 1.00 0.00 C ATOM 240 O LYS A 16 -5.498 1.844 -3.451 1.00 0.00 O ATOM 241 CB LYS A 16 -8.313 0.464 -2.327 1.00 0.00 C ATOM 242 CG LYS A 16 -8.497 -0.831 -1.539 1.00 0.00 C ATOM 243 CD LYS A 16 -9.523 -1.772 -2.177 1.00 0.00 C ATOM 244 CE LYS A 16 -10.902 -1.141 -2.294 1.00 0.00 C ATOM 245 NZ LYS A 16 -11.900 -2.093 -2.822 1.00 0.00 N ATOM 0 H LYS A 16 -8.534 2.072 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.377 0.652 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.232 1.047 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.160 0.218 -3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.538 -1.344 -1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.812 -0.592 -0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.176 -2.064 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.594 -2.683 -1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.223 -0.785 -1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.849 -0.271 -2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.826 -1.625 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.608 -2.414 -3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.970 -2.912 -2.185 1.00 0.00 H new ATOM 259 N GLU A 17 -7.238 3.194 -3.364 1.00 0.00 N ATOM 260 CA GLU A 17 -6.705 4.052 -4.392 1.00 0.00 C ATOM 261 C GLU A 17 -5.375 4.718 -3.992 1.00 0.00 C ATOM 262 O GLU A 17 -4.536 4.963 -4.863 1.00 0.00 O ATOM 263 CB GLU A 17 -7.714 5.082 -4.878 1.00 0.00 C ATOM 264 CG GLU A 17 -8.924 4.476 -5.563 1.00 0.00 C ATOM 265 CD GLU A 17 -9.843 5.518 -6.134 1.00 0.00 C ATOM 266 OE1 GLU A 17 -10.714 6.028 -5.417 1.00 0.00 O ATOM 267 OE2 GLU A 17 -9.706 5.857 -7.335 1.00 0.00 O ATOM 0 H GLU A 17 -8.141 3.481 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.487 3.392 -5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.049 5.678 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.219 5.763 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.591 3.813 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.474 3.864 -4.848 1.00 0.00 H new ATOM 274 N GLN A 18 -5.145 4.966 -2.671 1.00 0.00 N ATOM 275 CA GLN A 18 -3.916 5.634 -2.242 1.00 0.00 C ATOM 276 C GLN A 18 -2.784 4.684 -2.456 1.00 0.00 C ATOM 277 O GLN A 18 -1.760 5.003 -3.075 1.00 0.00 O ATOM 278 CB GLN A 18 -3.993 6.193 -0.783 1.00 0.00 C ATOM 279 CG GLN A 18 -3.707 5.213 0.343 1.00 0.00 C ATOM 280 CD GLN A 18 -3.869 5.804 1.719 1.00 0.00 C ATOM 281 OE1 GLN A 18 -3.182 5.419 2.658 1.00 0.00 O ATOM 282 NE2 GLN A 18 -4.769 6.716 1.863 1.00 0.00 N ATOM 0 H GLN A 18 -5.784 4.716 -1.916 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.757 6.528 -2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.289 7.021 -0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.990 6.605 -0.629 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.374 4.356 0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.689 4.838 0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.325 7.015 1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.925 7.138 2.778 1.00 0.00 H new ATOM 291 N LEU A 19 -3.013 3.502 -1.985 1.00 0.00 N ATOM 292 CA LEU A 19 -2.089 2.447 -2.024 1.00 0.00 C ATOM 293 C LEU A 19 -1.826 1.986 -3.434 1.00 0.00 C ATOM 294 O LEU A 19 -0.683 1.763 -3.810 1.00 0.00 O ATOM 295 CB LEU A 19 -2.614 1.343 -1.177 1.00 0.00 C ATOM 296 CG LEU A 19 -2.499 1.513 0.345 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.137 0.347 1.042 1.00 0.00 C ATOM 298 CD2 LEU A 19 -1.044 1.650 0.784 1.00 0.00 C ATOM 0 H LEU A 19 -3.897 3.247 -1.544 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.129 2.787 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.666 1.199 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.094 0.427 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.020 2.430 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.051 0.476 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.190 0.290 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.634 -0.574 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.000 1.769 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.491 0.757 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.600 2.523 0.305 1.00 0.00 H new ATOM 310 N THR A 20 -2.885 1.911 -4.212 1.00 0.00 N ATOM 311 CA THR A 20 -2.802 1.523 -5.603 1.00 0.00 C ATOM 312 C THR A 20 -1.867 2.448 -6.342 1.00 0.00 C ATOM 313 O THR A 20 -0.875 2.003 -6.894 1.00 0.00 O ATOM 314 CB THR A 20 -4.211 1.563 -6.260 1.00 0.00 C ATOM 315 OG1 THR A 20 -5.039 0.514 -5.740 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.153 1.500 -7.787 1.00 0.00 C ATOM 0 H THR A 20 -3.832 2.119 -3.895 1.00 0.00 H new ATOM 0 HA THR A 20 -2.416 0.505 -5.658 1.00 0.00 H new ATOM 0 HB THR A 20 -4.653 2.526 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.412 0.789 -4.877 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.165 1.531 -8.191 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.585 2.350 -8.165 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.668 0.574 -8.095 1.00 0.00 H new ATOM 324 N GLU A 21 -2.119 3.726 -6.233 1.00 0.00 N ATOM 325 CA GLU A 21 -1.364 4.722 -6.969 1.00 0.00 C ATOM 326 C GLU A 21 0.094 4.726 -6.541 1.00 0.00 C ATOM 327 O GLU A 21 1.004 4.784 -7.359 1.00 0.00 O ATOM 328 CB GLU A 21 -1.994 6.077 -6.768 1.00 0.00 C ATOM 329 CG GLU A 21 -1.291 7.196 -7.499 1.00 0.00 C ATOM 330 CD GLU A 21 -1.955 8.512 -7.280 1.00 0.00 C ATOM 331 OE1 GLU A 21 -1.419 9.361 -6.540 1.00 0.00 O ATOM 332 OE2 GLU A 21 -3.045 8.735 -7.841 1.00 0.00 O ATOM 0 H GLU A 21 -2.850 4.111 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.388 4.475 -8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.032 6.036 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.008 6.305 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.255 7.253 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.269 6.974 -8.566 1.00 0.00 H new ATOM 339 N SER A 22 0.283 4.609 -5.264 1.00 0.00 N ATOM 340 CA SER A 22 1.608 4.635 -4.664 1.00 0.00 C ATOM 341 C SER A 22 2.430 3.445 -5.138 1.00 0.00 C ATOM 342 O SER A 22 3.586 3.594 -5.558 1.00 0.00 O ATOM 343 CB SER A 22 1.503 4.674 -3.137 1.00 0.00 C ATOM 344 OG SER A 22 0.788 5.837 -2.721 1.00 0.00 O ATOM 0 H SER A 22 -0.475 4.491 -4.591 1.00 0.00 H new ATOM 0 HA SER A 22 2.122 5.541 -4.984 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.996 3.779 -2.777 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.500 4.674 -2.697 1.00 0.00 H new ATOM 0 HG SER A 22 -0.167 5.717 -2.905 1.00 0.00 H new ATOM 350 N GLY A 23 1.804 2.282 -5.145 1.00 0.00 N ATOM 351 CA GLY A 23 2.439 1.086 -5.614 1.00 0.00 C ATOM 352 C GLY A 23 2.737 1.163 -7.084 1.00 0.00 C ATOM 353 O GLY A 23 3.723 0.649 -7.538 1.00 0.00 O ATOM 0 H GLY A 23 0.844 2.151 -4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.365 0.923 -5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.795 0.229 -5.416 1.00 0.00 H new ATOM 357 N LYS A 24 1.857 1.820 -7.807 1.00 0.00 N ATOM 358 CA LYS A 24 2.021 2.037 -9.230 1.00 0.00 C ATOM 359 C LYS A 24 3.213 2.920 -9.565 1.00 0.00 C ATOM 360 O LYS A 24 3.875 2.714 -10.581 1.00 0.00 O ATOM 361 CB LYS A 24 0.746 2.592 -9.805 1.00 0.00 C ATOM 362 CG LYS A 24 -0.392 1.587 -9.762 1.00 0.00 C ATOM 363 CD LYS A 24 -0.236 0.478 -10.805 1.00 0.00 C ATOM 364 CE LYS A 24 -0.387 1.007 -12.209 1.00 0.00 C ATOM 365 NZ LYS A 24 0.003 0.022 -13.242 1.00 0.00 N ATOM 0 H LYS A 24 1.002 2.222 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 24 2.234 1.071 -9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.459 3.486 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.919 2.898 -10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.442 1.142 -8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.336 2.106 -9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.743 0.011 -10.696 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.981 -0.297 -10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.423 1.304 -12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.222 1.904 -12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.541 0.197 -14.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.019 0.115 -13.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.194 -0.939 -12.897 1.00 0.00 H new ATOM 379 N LYS A 25 3.499 3.885 -8.706 1.00 0.00 N ATOM 380 CA LYS A 25 4.606 4.797 -8.897 1.00 0.00 C ATOM 381 C LYS A 25 5.915 4.095 -8.608 1.00 0.00 C ATOM 382 O LYS A 25 6.899 4.255 -9.323 1.00 0.00 O ATOM 383 CB LYS A 25 4.426 6.008 -7.966 1.00 0.00 C ATOM 384 CG LYS A 25 3.186 6.841 -8.280 1.00 0.00 C ATOM 385 CD LYS A 25 2.839 7.828 -7.166 1.00 0.00 C ATOM 386 CE LYS A 25 3.950 8.824 -6.894 1.00 0.00 C ATOM 387 NZ LYS A 25 3.573 9.774 -5.833 1.00 0.00 N ATOM 0 H LYS A 25 2.965 4.055 -7.854 1.00 0.00 H new ATOM 0 HA LYS A 25 4.625 5.139 -9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.367 5.658 -6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.308 6.644 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.348 7.389 -9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.339 6.175 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.931 8.368 -7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.621 7.275 -6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.855 8.291 -6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.182 9.371 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.354 10.441 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.723 10.299 -6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.375 9.253 -4.955 1.00 0.00 H new ATOM 401 N ARG A 26 5.891 3.295 -7.581 1.00 0.00 N ATOM 402 CA ARG A 26 7.072 2.605 -7.109 1.00 0.00 C ATOM 403 C ARG A 26 7.343 1.349 -7.905 1.00 0.00 C ATOM 404 O ARG A 26 8.400 1.155 -8.498 1.00 0.00 O ATOM 405 CB ARG A 26 6.878 2.198 -5.661 1.00 0.00 C ATOM 406 CG ARG A 26 6.588 3.326 -4.715 1.00 0.00 C ATOM 407 CD ARG A 26 6.215 2.779 -3.351 1.00 0.00 C ATOM 408 NE ARG A 26 7.286 1.996 -2.727 1.00 0.00 N ATOM 409 CZ ARG A 26 7.137 1.327 -1.570 1.00 0.00 C ATOM 410 NH1 ARG A 26 6.008 1.443 -0.881 1.00 0.00 N ATOM 411 NH2 ARG A 26 8.122 0.577 -1.104 1.00 0.00 N ATOM 0 H ARG A 26 5.050 3.097 -7.040 1.00 0.00 H new ATOM 0 HA ARG A 26 7.913 3.289 -7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.059 1.481 -5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.776 1.682 -5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.461 3.973 -4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.775 3.938 -5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.951 3.608 -2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.327 2.154 -3.448 1.00 0.00 H new ATOM 0 HE ARG A 26 8.191 1.957 -3.195 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.257 2.038 -1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.892 0.937 -0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.997 0.505 -1.623 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.006 0.071 -0.226 1.00 0.00 H new ATOM 425 N GLY A 27 6.315 0.538 -7.947 1.00 0.00 N ATOM 426 CA GLY A 27 6.362 -0.764 -8.501 1.00 0.00 C ATOM 427 C GLY A 27 6.241 -1.770 -7.400 1.00 0.00 C ATOM 428 O GLY A 27 6.215 -2.975 -7.641 1.00 0.00 O ATOM 0 H GLY A 27 5.397 0.789 -7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.554 -0.896 -9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.297 -0.909 -9.042 1.00 0.00 H new ATOM 432 N VAL A 28 6.088 -1.275 -6.180 1.00 0.00 N ATOM 433 CA VAL A 28 6.115 -2.120 -5.033 1.00 0.00 C ATOM 434 C VAL A 28 5.389 -1.481 -3.859 1.00 0.00 C ATOM 435 O VAL A 28 5.186 -0.266 -3.834 1.00 0.00 O ATOM 436 CB VAL A 28 7.584 -2.402 -4.668 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.296 -1.186 -4.126 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.739 -3.581 -3.787 1.00 0.00 C ATOM 0 H VAL A 28 5.944 -0.286 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 28 5.600 -3.053 -5.262 1.00 0.00 H new ATOM 0 HB VAL A 28 8.078 -2.653 -5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.327 -1.445 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.285 -0.394 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.790 -0.840 -3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.795 -3.731 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.191 -3.416 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.345 -4.465 -4.289 1.00 0.00 H new ATOM 448 N LEU A 29 4.941 -2.325 -2.961 1.00 0.00 N ATOM 449 CA LEU A 29 4.328 -1.951 -1.714 1.00 0.00 C ATOM 450 C LEU A 29 4.615 -3.038 -0.694 1.00 0.00 C ATOM 451 O LEU A 29 4.525 -4.203 -1.020 1.00 0.00 O ATOM 452 CB LEU A 29 2.807 -1.832 -1.847 1.00 0.00 C ATOM 453 CG LEU A 29 2.224 -0.630 -2.573 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.724 -0.791 -2.685 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.540 0.651 -1.833 1.00 0.00 C ATOM 0 H LEU A 29 4.997 -3.336 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 29 4.734 -0.986 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.450 -2.728 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.386 -1.845 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 29 2.668 -0.574 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.304 0.070 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.496 -1.699 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.290 -0.860 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.113 1.497 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.114 0.606 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.621 0.774 -1.763 1.00 0.00 H new ATOM 467 N THR A 30 5.012 -2.677 0.491 1.00 0.00 N ATOM 468 CA THR A 30 5.168 -3.646 1.557 1.00 0.00 C ATOM 469 C THR A 30 3.794 -4.106 2.062 1.00 0.00 C ATOM 470 O THR A 30 2.856 -3.304 2.120 1.00 0.00 O ATOM 471 CB THR A 30 5.978 -3.086 2.754 1.00 0.00 C ATOM 472 OG1 THR A 30 5.404 -1.892 3.248 1.00 0.00 O ATOM 473 CG2 THR A 30 7.404 -2.826 2.388 1.00 0.00 C ATOM 0 H THR A 30 5.237 -1.717 0.753 1.00 0.00 H new ATOM 0 HA THR A 30 5.721 -4.486 1.136 1.00 0.00 H new ATOM 0 HB THR A 30 5.949 -3.850 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.613 -1.152 2.640 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.937 -2.434 3.255 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.872 -3.756 2.064 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.445 -2.098 1.578 1.00 0.00 H new ATOM 481 N TYR A 31 3.689 -5.376 2.440 1.00 0.00 N ATOM 482 CA TYR A 31 2.436 -5.950 2.952 1.00 0.00 C ATOM 483 C TYR A 31 1.911 -5.137 4.144 1.00 0.00 C ATOM 484 O TYR A 31 0.713 -4.871 4.264 1.00 0.00 O ATOM 485 CB TYR A 31 2.629 -7.425 3.401 1.00 0.00 C ATOM 486 CG TYR A 31 2.981 -8.433 2.308 1.00 0.00 C ATOM 487 CD1 TYR A 31 2.033 -8.824 1.372 1.00 0.00 C ATOM 488 CD2 TYR A 31 4.246 -9.039 2.245 1.00 0.00 C ATOM 489 CE1 TYR A 31 2.320 -9.773 0.409 1.00 0.00 C ATOM 490 CE2 TYR A 31 4.537 -9.979 1.277 1.00 0.00 C ATOM 491 CZ TYR A 31 3.572 -10.343 0.365 1.00 0.00 C ATOM 492 OH TYR A 31 3.857 -11.301 -0.587 1.00 0.00 O ATOM 0 H TYR A 31 4.463 -6.039 2.403 1.00 0.00 H new ATOM 0 HA TYR A 31 1.714 -5.917 2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.416 -7.451 4.155 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.711 -7.756 3.887 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.050 -8.377 1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.003 -8.765 2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.565 -10.066 -0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.519 -10.428 1.235 1.00 0.00 H new ATOM 0 HH TYR A 31 4.784 -11.601 -0.482 1.00 0.00 H new ATOM 502 N GLU A 32 2.828 -4.696 4.979 1.00 0.00 N ATOM 503 CA GLU A 32 2.485 -3.999 6.193 1.00 0.00 C ATOM 504 C GLU A 32 2.138 -2.521 6.016 1.00 0.00 C ATOM 505 O GLU A 32 1.393 -1.978 6.826 1.00 0.00 O ATOM 506 CB GLU A 32 3.529 -4.231 7.255 1.00 0.00 C ATOM 507 CG GLU A 32 3.554 -5.672 7.714 1.00 0.00 C ATOM 508 CD GLU A 32 4.674 -5.975 8.651 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.703 -6.552 8.207 1.00 0.00 O ATOM 510 OE2 GLU A 32 4.553 -5.655 9.848 1.00 0.00 O ATOM 0 H GLU A 32 3.831 -4.812 4.832 1.00 0.00 H new ATOM 0 HA GLU A 32 1.547 -4.438 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.510 -3.956 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.331 -3.582 8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.608 -5.907 8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.633 -6.322 6.843 1.00 0.00 H new ATOM 517 N GLU A 33 2.612 -1.863 4.959 1.00 0.00 N ATOM 518 CA GLU A 33 2.209 -0.469 4.769 1.00 0.00 C ATOM 519 C GLU A 33 0.791 -0.466 4.236 1.00 0.00 C ATOM 520 O GLU A 33 0.011 0.464 4.466 1.00 0.00 O ATOM 521 CB GLU A 33 3.151 0.294 3.833 1.00 0.00 C ATOM 522 CG GLU A 33 3.105 -0.143 2.384 1.00 0.00 C ATOM 523 CD GLU A 33 4.143 0.546 1.563 1.00 0.00 C ATOM 524 OE1 GLU A 33 3.926 1.688 1.183 1.00 0.00 O ATOM 525 OE2 GLU A 33 5.222 -0.067 1.280 1.00 0.00 O ATOM 0 H GLU A 33 3.242 -2.246 4.254 1.00 0.00 H new ATOM 0 HA GLU A 33 2.261 0.050 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.909 1.356 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.172 0.182 4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.252 -1.221 2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.118 0.067 1.972 1.00 0.00 H new ATOM 532 N ILE A 34 0.464 -1.553 3.557 1.00 0.00 N ATOM 533 CA ILE A 34 -0.845 -1.784 3.032 1.00 0.00 C ATOM 534 C ILE A 34 -1.783 -2.054 4.180 1.00 0.00 C ATOM 535 O ILE A 34 -2.877 -1.492 4.248 1.00 0.00 O ATOM 536 CB ILE A 34 -0.842 -2.971 2.046 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.051 -2.642 0.859 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.255 -3.311 1.583 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.254 -3.789 -0.090 1.00 0.00 C ATOM 0 H ILE A 34 1.123 -2.306 3.359 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.176 -0.903 2.483 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.449 -3.849 2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.382 -1.804 0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.022 -2.313 1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.218 -4.151 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.866 -3.579 2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.692 -2.447 1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.902 -3.474 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.717 -4.622 0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.709 -4.105 -0.491 1.00 0.00 H new ATOM 551 N ALA A 35 -1.297 -2.823 5.167 1.00 0.00 N ATOM 552 CA ALA A 35 -2.041 -3.208 6.330 1.00 0.00 C ATOM 553 C ALA A 35 -2.289 -2.012 7.224 1.00 0.00 C ATOM 554 O ALA A 35 -3.345 -1.879 7.834 1.00 0.00 O ATOM 555 CB ALA A 35 -1.316 -4.305 7.091 1.00 0.00 C ATOM 0 H ALA A 35 -0.347 -3.194 5.158 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.006 -3.598 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.897 -4.583 7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.194 -5.176 6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.336 -3.945 7.403 1.00 0.00 H new ATOM 561 N GLU A 36 -1.291 -1.128 7.263 1.00 0.00 N ATOM 562 CA GLU A 36 -1.268 0.032 8.143 1.00 0.00 C ATOM 563 C GLU A 36 -2.455 0.925 7.902 1.00 0.00 C ATOM 564 O GLU A 36 -3.141 1.340 8.836 1.00 0.00 O ATOM 565 CB GLU A 36 -0.001 0.854 7.905 1.00 0.00 C ATOM 566 CG GLU A 36 0.142 2.037 8.850 1.00 0.00 C ATOM 567 CD GLU A 36 1.215 3.007 8.433 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.952 4.234 8.447 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.325 2.574 8.071 1.00 0.00 O ATOM 0 H GLU A 36 -0.463 -1.203 6.672 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.295 -0.340 9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.869 0.206 8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.001 1.218 6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.811 2.563 8.909 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.365 1.668 9.851 1.00 0.00 H new ATOM 576 N ARG A 37 -2.720 1.199 6.647 1.00 0.00 N ATOM 577 CA ARG A 37 -3.790 2.091 6.275 1.00 0.00 C ATOM 578 C ARG A 37 -5.125 1.404 6.515 1.00 0.00 C ATOM 579 O ARG A 37 -6.106 2.030 6.889 1.00 0.00 O ATOM 580 CB ARG A 37 -3.645 2.454 4.798 1.00 0.00 C ATOM 581 CG ARG A 37 -2.227 2.811 4.378 1.00 0.00 C ATOM 582 CD ARG A 37 -1.695 4.046 5.075 1.00 0.00 C ATOM 583 NE ARG A 37 -0.231 4.120 4.948 1.00 0.00 N ATOM 584 CZ ARG A 37 0.510 5.239 5.029 1.00 0.00 C ATOM 585 NH1 ARG A 37 -0.065 6.437 5.057 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.834 5.154 5.054 1.00 0.00 N ATOM 0 H ARG A 37 -2.202 0.811 5.858 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.745 2.999 6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.990 1.615 4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.300 3.297 4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.568 1.969 4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.203 2.970 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.149 4.938 4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.974 4.025 6.129 1.00 0.00 H new ATOM 0 HE ARG A 37 0.266 3.245 4.784 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.081 6.516 5.017 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.510 7.277 5.119 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.287 4.241 5.012 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.398 6.001 5.115 1.00 0.00 H new ATOM 600 N MET A 38 -5.126 0.086 6.379 1.00 0.00 N ATOM 601 CA MET A 38 -6.341 -0.691 6.533 1.00 0.00 C ATOM 602 C MET A 38 -6.618 -0.981 7.992 1.00 0.00 C ATOM 603 O MET A 38 -7.632 -1.575 8.326 1.00 0.00 O ATOM 604 CB MET A 38 -6.291 -2.000 5.749 1.00 0.00 C ATOM 605 CG MET A 38 -6.004 -1.833 4.277 1.00 0.00 C ATOM 606 SD MET A 38 -7.187 -0.774 3.442 1.00 0.00 S ATOM 607 CE MET A 38 -6.572 -0.883 1.767 1.00 0.00 C ATOM 0 H MET A 38 -4.296 -0.466 6.162 1.00 0.00 H new ATOM 0 HA MET A 38 -7.151 -0.086 6.127 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.526 -2.642 6.186 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.244 -2.516 5.865 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.004 -1.418 4.153 1.00 0.00 H new ATOM 0 HG3 MET A 38 -6.004 -2.813 3.800 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.777 0.050 1.243 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.497 -1.060 1.785 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.067 -1.706 1.251 1.00 0.00 H new ATOM 617 N SER A 39 -5.729 -0.531 8.862 1.00 0.00 N ATOM 618 CA SER A 39 -5.890 -0.728 10.285 1.00 0.00 C ATOM 619 C SER A 39 -6.962 0.221 10.836 1.00 0.00 C ATOM 620 O SER A 39 -7.450 0.047 11.961 1.00 0.00 O ATOM 621 CB SER A 39 -4.557 -0.537 10.995 1.00 0.00 C ATOM 622 OG SER A 39 -3.579 -1.449 10.493 1.00 0.00 O ATOM 0 H SER A 39 -4.884 -0.024 8.601 1.00 0.00 H new ATOM 0 HA SER A 39 -6.224 -1.749 10.469 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.210 0.487 10.857 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.686 -0.689 12.067 1.00 0.00 H new ATOM 0 HG SER A 39 -3.558 -1.400 9.514 1.00 0.00 H new ATOM 628 N SER A 40 -7.319 1.220 10.035 1.00 0.00 N ATOM 629 CA SER A 40 -8.399 2.116 10.366 1.00 0.00 C ATOM 630 C SER A 40 -9.723 1.360 10.180 1.00 0.00 C ATOM 631 O SER A 40 -10.736 1.659 10.801 1.00 0.00 O ATOM 632 CB SER A 40 -8.340 3.318 9.430 1.00 0.00 C ATOM 633 OG SER A 40 -7.021 3.866 9.401 1.00 0.00 O ATOM 0 H SER A 40 -6.865 1.423 9.145 1.00 0.00 H new ATOM 0 HA SER A 40 -8.320 2.463 11.396 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.638 3.019 8.425 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.049 4.078 9.759 1.00 0.00 H new ATOM 0 HG SER A 40 -6.498 3.423 8.701 1.00 0.00 H new ATOM 639 N PHE A 41 -9.685 0.386 9.294 1.00 0.00 N ATOM 640 CA PHE A 41 -10.815 -0.468 9.010 1.00 0.00 C ATOM 641 C PHE A 41 -10.641 -1.801 9.748 1.00 0.00 C ATOM 642 O PHE A 41 -9.892 -1.893 10.714 1.00 0.00 O ATOM 643 CB PHE A 41 -10.884 -0.707 7.502 1.00 0.00 C ATOM 644 CG PHE A 41 -10.760 0.547 6.714 1.00 0.00 C ATOM 645 CD1 PHE A 41 -11.685 1.571 6.843 1.00 0.00 C ATOM 646 CD2 PHE A 41 -9.687 0.718 5.876 1.00 0.00 C ATOM 647 CE1 PHE A 41 -11.522 2.741 6.143 1.00 0.00 C ATOM 648 CE2 PHE A 41 -9.523 1.874 5.169 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.434 2.891 5.306 1.00 0.00 C ATOM 0 H PHE A 41 -8.855 0.164 8.744 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.739 0.004 9.345 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.089 -1.394 7.211 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.829 -1.192 7.258 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -12.536 1.448 7.496 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.961 -0.075 5.774 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -12.241 3.540 6.247 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.679 1.988 4.504 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.300 3.812 4.757 1.00 0.00 H new ATOM 659 N GLU A 42 -11.322 -2.811 9.284 1.00 0.00 N ATOM 660 CA GLU A 42 -11.306 -4.126 9.894 1.00 0.00 C ATOM 661 C GLU A 42 -11.018 -5.175 8.824 1.00 0.00 C ATOM 662 O GLU A 42 -11.546 -6.291 8.850 1.00 0.00 O ATOM 663 CB GLU A 42 -12.663 -4.349 10.566 1.00 0.00 C ATOM 664 CG GLU A 42 -13.853 -4.053 9.661 1.00 0.00 C ATOM 665 CD GLU A 42 -15.154 -4.099 10.400 1.00 0.00 C ATOM 666 OE1 GLU A 42 -15.430 -3.168 11.183 1.00 0.00 O ATOM 667 OE2 GLU A 42 -15.928 -5.061 10.217 1.00 0.00 O ATOM 0 H GLU A 42 -11.916 -2.750 8.457 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.523 -4.208 10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.725 -5.383 10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.727 -3.718 11.453 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.728 -3.068 9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.875 -4.776 8.846 1.00 0.00 H new ATOM 674 N ILE A 43 -10.111 -4.823 7.933 1.00 0.00 N ATOM 675 CA ILE A 43 -9.775 -5.651 6.780 1.00 0.00 C ATOM 676 C ILE A 43 -9.010 -6.894 7.198 1.00 0.00 C ATOM 677 O ILE A 43 -7.931 -6.818 7.809 1.00 0.00 O ATOM 678 CB ILE A 43 -8.950 -4.864 5.729 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.643 -3.564 5.379 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.707 -5.687 4.474 1.00 0.00 C ATOM 681 CD1 ILE A 43 -11.033 -3.757 4.827 1.00 0.00 C ATOM 0 H ILE A 43 -9.582 -3.952 7.985 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.719 -5.951 6.325 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.979 -4.641 6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.697 -2.938 6.270 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.041 -3.025 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.126 -5.101 3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.158 -6.592 4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.663 -5.958 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.471 -2.786 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.984 -4.357 3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.650 -4.268 5.566 1.00 0.00 H new ATOM 693 N GLU A 44 -9.579 -8.008 6.862 1.00 0.00 N ATOM 694 CA GLU A 44 -9.019 -9.315 7.152 1.00 0.00 C ATOM 695 C GLU A 44 -7.863 -9.592 6.181 1.00 0.00 C ATOM 696 O GLU A 44 -7.772 -8.948 5.125 1.00 0.00 O ATOM 697 CB GLU A 44 -10.099 -10.385 6.959 1.00 0.00 C ATOM 698 CG GLU A 44 -11.401 -10.111 7.697 1.00 0.00 C ATOM 699 CD GLU A 44 -12.430 -11.190 7.466 1.00 0.00 C ATOM 700 OE1 GLU A 44 -12.575 -12.074 8.324 1.00 0.00 O ATOM 701 OE2 GLU A 44 -13.104 -11.179 6.419 1.00 0.00 O ATOM 0 H GLU A 44 -10.469 -8.048 6.365 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.657 -9.339 8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.313 -10.479 5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.704 -11.345 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.200 -10.027 8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.805 -9.152 7.372 1.00 0.00 H new ATOM 708 N SER A 45 -7.018 -10.560 6.496 1.00 0.00 N ATOM 709 CA SER A 45 -5.886 -10.885 5.645 1.00 0.00 C ATOM 710 C SER A 45 -6.377 -11.447 4.301 1.00 0.00 C ATOM 711 O SER A 45 -5.752 -11.236 3.272 1.00 0.00 O ATOM 712 CB SER A 45 -4.921 -11.864 6.349 1.00 0.00 C ATOM 713 OG SER A 45 -3.729 -12.065 5.600 1.00 0.00 O ATOM 0 H SER A 45 -7.095 -11.134 7.335 1.00 0.00 H new ATOM 0 HA SER A 45 -5.327 -9.970 5.448 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.668 -11.477 7.336 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.421 -12.821 6.500 1.00 0.00 H new ATOM 0 HG SER A 45 -3.143 -12.689 6.078 1.00 0.00 H new ATOM 719 N ASP A 46 -7.540 -12.095 4.308 1.00 0.00 N ATOM 720 CA ASP A 46 -8.110 -12.628 3.068 1.00 0.00 C ATOM 721 C ASP A 46 -8.584 -11.499 2.180 1.00 0.00 C ATOM 722 O ASP A 46 -8.505 -11.578 0.961 1.00 0.00 O ATOM 723 CB ASP A 46 -9.232 -13.647 3.320 1.00 0.00 C ATOM 724 CG ASP A 46 -8.723 -14.953 3.898 1.00 0.00 C ATOM 725 OD1 ASP A 46 -8.777 -15.145 5.137 1.00 0.00 O ATOM 726 OD2 ASP A 46 -8.247 -15.813 3.135 1.00 0.00 O ATOM 0 H ASP A 46 -8.100 -12.263 5.143 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.316 -13.170 2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.963 -13.214 4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.751 -13.848 2.383 1.00 0.00 H new ATOM 731 N GLN A 47 -9.012 -10.412 2.807 1.00 0.00 N ATOM 732 CA GLN A 47 -9.438 -9.233 2.074 1.00 0.00 C ATOM 733 C GLN A 47 -8.216 -8.493 1.577 1.00 0.00 C ATOM 734 O GLN A 47 -8.233 -7.845 0.543 1.00 0.00 O ATOM 735 CB GLN A 47 -10.257 -8.311 2.941 1.00 0.00 C ATOM 736 CG GLN A 47 -11.499 -8.929 3.503 1.00 0.00 C ATOM 737 CD GLN A 47 -12.333 -7.924 4.248 1.00 0.00 C ATOM 738 OE1 GLN A 47 -12.169 -7.737 5.451 1.00 0.00 O ATOM 739 NE2 GLN A 47 -13.207 -7.259 3.548 1.00 0.00 N ATOM 0 H GLN A 47 -9.073 -10.324 3.821 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.059 -9.555 1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.636 -7.960 3.765 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.535 -7.434 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.088 -9.362 2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.228 -9.745 4.173 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.311 -7.446 2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.788 -6.551 3.997 1.00 0.00 H new ATOM 748 N MET A 48 -7.159 -8.563 2.345 1.00 0.00 N ATOM 749 CA MET A 48 -5.901 -8.008 1.910 1.00 0.00 C ATOM 750 C MET A 48 -5.362 -8.780 0.713 1.00 0.00 C ATOM 751 O MET A 48 -4.848 -8.190 -0.209 1.00 0.00 O ATOM 752 CB MET A 48 -4.863 -7.979 3.034 1.00 0.00 C ATOM 753 CG MET A 48 -5.075 -6.927 4.122 1.00 0.00 C ATOM 754 SD MET A 48 -4.528 -5.232 3.685 1.00 0.00 S ATOM 755 CE MET A 48 -5.525 -4.797 2.254 1.00 0.00 C ATOM 0 H MET A 48 -7.143 -8.995 3.269 1.00 0.00 H new ATOM 0 HA MET A 48 -6.090 -6.976 1.614 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.842 -8.961 3.507 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.881 -7.819 2.589 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.135 -6.896 4.374 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.543 -7.243 5.020 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.538 -3.714 2.136 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.099 -5.254 1.361 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.543 -5.159 2.396 1.00 0.00 H new ATOM 765 N ASP A 49 -5.510 -10.102 0.742 1.00 0.00 N ATOM 766 CA ASP A 49 -5.030 -11.000 -0.332 1.00 0.00 C ATOM 767 C ASP A 49 -5.676 -10.685 -1.657 1.00 0.00 C ATOM 768 O ASP A 49 -4.991 -10.602 -2.678 1.00 0.00 O ATOM 769 CB ASP A 49 -5.278 -12.464 0.021 1.00 0.00 C ATOM 770 CG ASP A 49 -4.748 -13.437 -1.024 1.00 0.00 C ATOM 771 OD1 ASP A 49 -5.522 -13.903 -1.883 1.00 0.00 O ATOM 772 OD2 ASP A 49 -3.546 -13.789 -0.972 1.00 0.00 O ATOM 0 H ASP A 49 -5.967 -10.593 1.510 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.957 -10.832 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.810 -12.683 0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.349 -12.624 0.145 1.00 0.00 H new ATOM 777 N GLU A 50 -6.988 -10.470 -1.645 1.00 0.00 N ATOM 778 CA GLU A 50 -7.691 -10.134 -2.873 1.00 0.00 C ATOM 779 C GLU A 50 -7.216 -8.766 -3.390 1.00 0.00 C ATOM 780 O GLU A 50 -7.129 -8.539 -4.595 1.00 0.00 O ATOM 781 CB GLU A 50 -9.217 -10.184 -2.693 1.00 0.00 C ATOM 782 CG GLU A 50 -9.761 -9.201 -1.682 1.00 0.00 C ATOM 783 CD GLU A 50 -11.242 -9.295 -1.505 1.00 0.00 C ATOM 784 OE1 GLU A 50 -11.986 -8.637 -2.251 1.00 0.00 O ATOM 785 OE2 GLU A 50 -11.709 -10.015 -0.595 1.00 0.00 O ATOM 0 H GLU A 50 -7.575 -10.522 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.450 -10.886 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.690 -9.994 -3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.502 -11.192 -2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.275 -9.372 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.503 -8.189 -1.994 1.00 0.00 H new ATOM 792 N TYR A 51 -6.881 -7.868 -2.466 1.00 0.00 N ATOM 793 CA TYR A 51 -6.319 -6.588 -2.834 1.00 0.00 C ATOM 794 C TYR A 51 -4.901 -6.796 -3.369 1.00 0.00 C ATOM 795 O TYR A 51 -4.486 -6.108 -4.292 1.00 0.00 O ATOM 796 CB TYR A 51 -6.360 -5.610 -1.674 1.00 0.00 C ATOM 797 CG TYR A 51 -5.814 -4.245 -2.016 1.00 0.00 C ATOM 798 CD1 TYR A 51 -6.258 -3.540 -3.144 1.00 0.00 C ATOM 799 CD2 TYR A 51 -4.860 -3.653 -1.215 1.00 0.00 C ATOM 800 CE1 TYR A 51 -5.746 -2.306 -3.443 1.00 0.00 C ATOM 801 CE2 TYR A 51 -4.354 -2.415 -1.517 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.801 -1.753 -2.631 1.00 0.00 C ATOM 803 OH TYR A 51 -4.280 -0.547 -2.943 1.00 0.00 O ATOM 0 H TYR A 51 -6.992 -8.010 -1.462 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.923 -6.142 -3.625 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.390 -5.505 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.790 -6.022 -0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.012 -3.975 -3.784 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.506 -4.172 -0.337 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.089 -1.773 -4.318 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.607 -1.964 -0.881 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.005 0.102 -3.062 1.00 0.00 H new ATOM 813 N TYR A 52 -4.151 -7.729 -2.788 1.00 0.00 N ATOM 814 CA TYR A 52 -2.796 -8.028 -3.246 1.00 0.00 C ATOM 815 C TYR A 52 -2.831 -8.527 -4.674 1.00 0.00 C ATOM 816 O TYR A 52 -2.015 -8.133 -5.513 1.00 0.00 O ATOM 817 CB TYR A 52 -2.070 -9.053 -2.344 1.00 0.00 C ATOM 818 CG TYR A 52 -1.826 -8.601 -0.911 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.864 -9.510 0.141 1.00 0.00 C ATOM 820 CD2 TYR A 52 -1.572 -7.270 -0.608 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.656 -9.102 1.442 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.362 -6.865 0.689 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.406 -7.782 1.712 1.00 0.00 C ATOM 824 OH TYR A 52 -1.191 -7.380 3.020 1.00 0.00 O ATOM 0 H TYR A 52 -4.460 -8.293 -1.996 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.229 -7.099 -3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.655 -9.972 -2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.110 -9.297 -2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.060 -10.552 -0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.539 -6.541 -1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.690 -9.822 2.247 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.162 -5.826 0.904 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.027 -6.414 3.043 1.00 0.00 H new ATOM 834 N GLU A 53 -3.821 -9.372 -4.942 1.00 0.00 N ATOM 835 CA GLU A 53 -4.069 -9.928 -6.248 1.00 0.00 C ATOM 836 C GLU A 53 -4.404 -8.792 -7.215 1.00 0.00 C ATOM 837 O GLU A 53 -3.877 -8.736 -8.335 1.00 0.00 O ATOM 838 CB GLU A 53 -5.258 -10.890 -6.138 1.00 0.00 C ATOM 839 CG GLU A 53 -5.360 -11.902 -7.251 1.00 0.00 C ATOM 840 CD GLU A 53 -4.147 -12.794 -7.289 1.00 0.00 C ATOM 841 OE1 GLU A 53 -3.921 -13.556 -6.329 1.00 0.00 O ATOM 842 OE2 GLU A 53 -3.392 -12.749 -8.276 1.00 0.00 O ATOM 0 H GLU A 53 -4.483 -9.690 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.193 -10.462 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.190 -11.421 -5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.178 -10.306 -6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.256 -12.508 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.466 -11.387 -8.206 1.00 0.00 H new ATOM 849 N PHE A 54 -5.241 -7.866 -6.746 1.00 0.00 N ATOM 850 CA PHE A 54 -5.618 -6.685 -7.497 1.00 0.00 C ATOM 851 C PHE A 54 -4.383 -5.854 -7.849 1.00 0.00 C ATOM 852 O PHE A 54 -4.176 -5.473 -9.011 1.00 0.00 O ATOM 853 CB PHE A 54 -6.624 -5.851 -6.686 1.00 0.00 C ATOM 854 CG PHE A 54 -6.823 -4.468 -7.215 1.00 0.00 C ATOM 855 CD1 PHE A 54 -6.152 -3.419 -6.634 1.00 0.00 C ATOM 856 CD2 PHE A 54 -7.641 -4.222 -8.294 1.00 0.00 C ATOM 857 CE1 PHE A 54 -6.285 -2.147 -7.108 1.00 0.00 C ATOM 858 CE2 PHE A 54 -7.787 -2.942 -8.778 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.099 -1.902 -8.176 1.00 0.00 C ATOM 0 H PHE A 54 -5.676 -7.922 -5.825 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.091 -6.995 -8.429 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.584 -6.367 -6.674 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.282 -5.789 -5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.508 -3.605 -5.787 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.171 -5.038 -8.763 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.748 -1.336 -6.640 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.434 -2.750 -9.621 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.207 -0.895 -8.552 1.00 0.00 H new ATOM 869 N LEU A 55 -3.577 -5.572 -6.842 1.00 0.00 N ATOM 870 CA LEU A 55 -2.352 -4.810 -7.006 1.00 0.00 C ATOM 871 C LEU A 55 -1.414 -5.460 -8.009 1.00 0.00 C ATOM 872 O LEU A 55 -0.799 -4.785 -8.838 1.00 0.00 O ATOM 873 CB LEU A 55 -1.662 -4.588 -5.670 1.00 0.00 C ATOM 874 CG LEU A 55 -2.372 -3.643 -4.705 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.625 -3.584 -3.394 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.492 -2.247 -5.315 1.00 0.00 C ATOM 0 H LEU A 55 -3.755 -5.867 -5.882 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.627 -3.835 -7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.541 -5.554 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.661 -4.199 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.377 -4.023 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.140 -2.907 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.584 -4.580 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.612 -3.222 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.001 -1.586 -4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.497 -1.855 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.064 -2.303 -6.241 1.00 0.00 H new ATOM 888 N GLY A 56 -1.342 -6.776 -7.921 1.00 0.00 N ATOM 889 CA GLY A 56 -0.533 -7.552 -8.834 1.00 0.00 C ATOM 890 C GLY A 56 -0.993 -7.392 -10.261 1.00 0.00 C ATOM 891 O GLY A 56 -0.173 -7.275 -11.160 1.00 0.00 O ATOM 0 H GLY A 56 -1.838 -7.329 -7.222 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.509 -7.242 -8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.576 -8.604 -8.554 1.00 0.00 H new ATOM 895 N GLU A 57 -2.302 -7.360 -10.470 1.00 0.00 N ATOM 896 CA GLU A 57 -2.856 -7.171 -11.779 1.00 0.00 C ATOM 897 C GLU A 57 -2.499 -5.810 -12.352 1.00 0.00 C ATOM 898 O GLU A 57 -2.277 -5.675 -13.543 1.00 0.00 O ATOM 899 CB GLU A 57 -4.346 -7.325 -11.733 1.00 0.00 C ATOM 900 CG GLU A 57 -4.810 -8.700 -11.339 1.00 0.00 C ATOM 901 CD GLU A 57 -6.296 -8.814 -11.391 1.00 0.00 C ATOM 902 OE1 GLU A 57 -6.973 -8.431 -10.418 1.00 0.00 O ATOM 903 OE2 GLU A 57 -6.830 -9.285 -12.417 1.00 0.00 O ATOM 0 H GLU A 57 -2.997 -7.465 -9.731 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.427 -7.932 -12.431 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.754 -6.600 -11.028 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.756 -7.082 -12.713 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.364 -9.440 -12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.462 -8.927 -10.331 1.00 0.00 H new ATOM 910 N GLN A 58 -2.430 -4.801 -11.491 1.00 0.00 N ATOM 911 CA GLN A 58 -2.109 -3.452 -11.925 1.00 0.00 C ATOM 912 C GLN A 58 -0.606 -3.353 -12.169 1.00 0.00 C ATOM 913 O GLN A 58 -0.169 -2.805 -13.173 1.00 0.00 O ATOM 914 CB GLN A 58 -2.554 -2.428 -10.868 1.00 0.00 C ATOM 915 CG GLN A 58 -4.023 -2.516 -10.475 1.00 0.00 C ATOM 916 CD GLN A 58 -4.959 -2.346 -11.652 1.00 0.00 C ATOM 917 OE1 GLN A 58 -5.350 -1.228 -11.992 1.00 0.00 O ATOM 918 NE2 GLN A 58 -5.368 -3.438 -12.239 1.00 0.00 N ATOM 0 H GLN A 58 -2.593 -4.895 -10.488 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.641 -3.231 -12.850 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.944 -2.561 -9.974 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.352 -1.426 -11.246 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.211 -3.481 -10.004 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.241 -1.750 -9.730 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.020 -4.345 -11.928 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.035 -3.384 -13.009 1.00 0.00 H new ATOM 927 N GLY A 59 0.169 -3.851 -11.252 1.00 0.00 N ATOM 928 CA GLY A 59 1.599 -3.893 -11.445 1.00 0.00 C ATOM 929 C GLY A 59 2.341 -3.423 -10.233 1.00 0.00 C ATOM 930 O GLY A 59 3.129 -2.473 -10.304 1.00 0.00 O ATOM 0 H GLY A 59 -0.157 -4.234 -10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.903 -4.912 -11.684 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.868 -3.271 -12.299 1.00 0.00 H new ATOM 934 N VAL A 60 2.062 -4.049 -9.114 1.00 0.00 N ATOM 935 CA VAL A 60 2.697 -3.721 -7.857 1.00 0.00 C ATOM 936 C VAL A 60 3.139 -5.002 -7.190 1.00 0.00 C ATOM 937 O VAL A 60 2.345 -5.934 -7.043 1.00 0.00 O ATOM 938 CB VAL A 60 1.720 -3.011 -6.884 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.445 -2.548 -5.641 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.976 -1.862 -7.547 1.00 0.00 C ATOM 0 H VAL A 60 1.382 -4.807 -9.049 1.00 0.00 H new ATOM 0 HA VAL A 60 3.533 -3.056 -8.072 1.00 0.00 H new ATOM 0 HB VAL A 60 0.968 -3.743 -6.592 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.741 -2.053 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.883 -3.408 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.234 -1.849 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.305 -1.398 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.693 -1.122 -7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.397 -2.241 -8.389 1.00 0.00 H new ATOM 950 N GLU A 61 4.379 -5.063 -6.821 1.00 0.00 N ATOM 951 CA GLU A 61 4.905 -6.194 -6.109 1.00 0.00 C ATOM 952 C GLU A 61 4.747 -5.954 -4.635 1.00 0.00 C ATOM 953 O GLU A 61 4.993 -4.853 -4.158 1.00 0.00 O ATOM 954 CB GLU A 61 6.359 -6.391 -6.470 1.00 0.00 C ATOM 955 CG GLU A 61 6.544 -6.722 -7.923 1.00 0.00 C ATOM 956 CD GLU A 61 7.987 -6.842 -8.311 1.00 0.00 C ATOM 957 OE1 GLU A 61 8.513 -7.969 -8.380 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.637 -5.810 -8.549 1.00 0.00 O ATOM 0 H GLU A 61 5.062 -4.328 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 61 4.362 -7.098 -6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.916 -5.485 -6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.777 -7.192 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.033 -7.659 -8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.072 -5.950 -8.530 1.00 0.00 H new ATOM 965 N LEU A 62 4.279 -6.925 -3.921 1.00 0.00 N ATOM 966 CA LEU A 62 4.097 -6.748 -2.516 1.00 0.00 C ATOM 967 C LEU A 62 5.256 -7.333 -1.731 1.00 0.00 C ATOM 968 O LEU A 62 5.405 -8.544 -1.651 1.00 0.00 O ATOM 969 CB LEU A 62 2.766 -7.330 -2.046 1.00 0.00 C ATOM 970 CG LEU A 62 1.497 -6.837 -2.762 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.529 -5.360 -3.070 1.00 0.00 C ATOM 972 CD2 LEU A 62 1.142 -7.666 -3.975 1.00 0.00 C ATOM 0 H LEU A 62 4.017 -7.842 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 62 4.073 -5.675 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.814 -8.414 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.660 -7.117 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 62 0.688 -6.982 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.606 -5.074 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.625 -4.797 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.379 -5.141 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.238 -7.268 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.961 -7.630 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.970 -8.699 -3.672 1.00 0.00 H new ATOM 984 N ILE A 63 6.096 -6.472 -1.191 1.00 0.00 N ATOM 985 CA ILE A 63 7.237 -6.910 -0.394 1.00 0.00 C ATOM 986 C ILE A 63 6.947 -7.026 1.078 1.00 0.00 C ATOM 987 O ILE A 63 5.916 -6.614 1.565 1.00 0.00 O ATOM 988 CB ILE A 63 8.484 -6.060 -0.571 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.165 -4.585 -0.444 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.144 -6.375 -1.871 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.369 -3.686 -0.550 1.00 0.00 C ATOM 0 H ILE A 63 6.014 -5.460 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 63 7.433 -7.904 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 63 9.185 -6.302 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.450 -4.310 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.677 -4.411 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.036 -5.759 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.425 -7.428 -1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.454 -6.169 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.057 -2.647 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.077 -3.931 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.846 -3.829 -1.520 1.00 0.00 H new ATOM 1003 N SER A 64 7.920 -7.510 1.763 1.00 0.00 N ATOM 1004 CA SER A 64 7.840 -7.903 3.131 1.00 0.00 C ATOM 1005 C SER A 64 8.383 -6.892 4.191 1.00 0.00 C ATOM 1006 O SER A 64 8.622 -7.285 5.340 1.00 0.00 O ATOM 1007 CB SER A 64 8.584 -9.188 3.181 1.00 0.00 C ATOM 1008 OG SER A 64 7.783 -10.275 2.771 1.00 0.00 O ATOM 0 H SER A 64 8.848 -7.652 1.364 1.00 0.00 H new ATOM 0 HA SER A 64 6.791 -7.970 3.418 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.464 -9.123 2.541 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.940 -9.362 4.196 1.00 0.00 H new ATOM 0 HG SER A 64 8.307 -11.102 2.816 1.00 0.00 H new ATOM 1014 N GLU A 65 8.572 -5.621 3.811 1.00 0.00 N ATOM 1015 CA GLU A 65 9.012 -4.495 4.736 1.00 0.00 C ATOM 1016 C GLU A 65 10.464 -4.620 5.184 1.00 0.00 C ATOM 1017 O GLU A 65 11.221 -3.659 5.127 1.00 0.00 O ATOM 1018 CB GLU A 65 8.087 -4.300 5.964 1.00 0.00 C ATOM 1019 CG GLU A 65 8.405 -3.030 6.754 1.00 0.00 C ATOM 1020 CD GLU A 65 7.702 -2.951 8.083 1.00 0.00 C ATOM 1021 OE1 GLU A 65 6.553 -2.458 8.150 1.00 0.00 O ATOM 1022 OE2 GLU A 65 8.299 -3.365 9.097 1.00 0.00 O ATOM 0 H GLU A 65 8.430 -5.312 2.849 1.00 0.00 H new ATOM 0 HA GLU A 65 8.927 -3.600 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.050 -4.263 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.179 -5.164 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.481 -2.975 6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.129 -2.162 6.155 1.00 0.00 H new ATOM 1029 N ASN A 66 10.845 -5.815 5.613 1.00 0.00 N ATOM 1030 CA ASN A 66 12.205 -6.121 5.997 1.00 0.00 C ATOM 1031 C ASN A 66 13.082 -6.088 4.784 1.00 0.00 C ATOM 1032 O ASN A 66 14.300 -5.998 4.872 1.00 0.00 O ATOM 1033 CB ASN A 66 12.290 -7.464 6.711 1.00 0.00 C ATOM 1034 CG ASN A 66 11.599 -7.461 8.059 1.00 0.00 C ATOM 1035 OD1 ASN A 66 12.197 -7.107 9.078 1.00 0.00 O ATOM 1036 ND2 ASN A 66 10.369 -7.886 8.095 1.00 0.00 N ATOM 0 H ASN A 66 10.206 -6.605 5.703 1.00 0.00 H new ATOM 0 HA ASN A 66 12.553 -5.367 6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.843 -8.233 6.081 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.338 -7.732 6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.872 -7.933 8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.903 -8.171 7.234 1.00 0.00 H new ATOM 1043 N GLU A 67 12.438 -6.152 3.665 1.00 0.00 N ATOM 1044 CA GLU A 67 13.044 -5.947 2.419 1.00 0.00 C ATOM 1045 C GLU A 67 12.346 -4.756 1.846 1.00 0.00 C ATOM 1046 O GLU A 67 11.117 -4.601 2.012 1.00 0.00 O ATOM 1047 CB GLU A 67 12.898 -7.152 1.506 1.00 0.00 C ATOM 1048 CG GLU A 67 11.501 -7.382 0.970 1.00 0.00 C ATOM 1049 CD GLU A 67 11.394 -8.586 0.084 1.00 0.00 C ATOM 1050 OE1 GLU A 67 10.686 -9.529 0.451 1.00 0.00 O ATOM 1051 OE2 GLU A 67 12.021 -8.610 -0.991 1.00 0.00 O ATOM 0 H GLU A 67 11.440 -6.357 3.607 1.00 0.00 H new ATOM 0 HA GLU A 67 14.118 -5.793 2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.580 -7.036 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.213 -8.042 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.812 -7.494 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.184 -6.501 0.413 1.00 0.00 H new ATOM 1058 N GLU A 68 13.084 -3.934 1.241 1.00 0.00 N ATOM 1059 CA GLU A 68 12.587 -2.708 0.691 1.00 0.00 C ATOM 1060 C GLU A 68 13.576 -2.191 -0.311 1.00 0.00 C ATOM 1061 O GLU A 68 14.778 -2.123 -0.037 1.00 0.00 O ATOM 1062 CB GLU A 68 12.299 -1.687 1.814 1.00 0.00 C ATOM 1063 CG GLU A 68 11.781 -0.329 1.357 1.00 0.00 C ATOM 1064 CD GLU A 68 10.561 -0.426 0.505 1.00 0.00 C ATOM 1065 OE1 GLU A 68 9.430 -0.386 1.040 1.00 0.00 O ATOM 1066 OE2 GLU A 68 10.713 -0.517 -0.726 1.00 0.00 O ATOM 0 H GLU A 68 14.084 -4.077 1.097 1.00 0.00 H new ATOM 0 HA GLU A 68 11.640 -2.881 0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.569 -2.122 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.216 -1.533 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.558 0.282 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.566 0.184 0.801 1.00 0.00 H new ATOM 1073 N THR A 69 13.082 -1.813 -1.441 1.00 0.00 N ATOM 1074 CA THR A 69 13.898 -1.411 -2.537 1.00 0.00 C ATOM 1075 C THR A 69 14.134 0.054 -2.501 1.00 0.00 C ATOM 1076 O THR A 69 15.209 0.550 -2.843 1.00 0.00 O ATOM 1077 CB THR A 69 13.257 -1.838 -3.851 1.00 0.00 C ATOM 1078 OG1 THR A 69 11.866 -1.497 -3.817 1.00 0.00 O ATOM 1079 CG2 THR A 69 13.409 -3.328 -4.041 1.00 0.00 C ATOM 0 H THR A 69 12.081 -1.774 -1.633 1.00 0.00 H new ATOM 0 HA THR A 69 14.867 -1.904 -2.457 1.00 0.00 H new ATOM 0 HB THR A 69 13.747 -1.327 -4.680 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.707 -0.716 -4.387 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.948 -3.624 -4.983 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.468 -3.586 -4.059 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.922 -3.851 -3.218 1.00 0.00 H new ATOM 1087 N GLU A 70 13.180 0.720 -1.948 1.00 0.00 N ATOM 1088 CA GLU A 70 13.177 2.164 -1.876 1.00 0.00 C ATOM 1089 C GLU A 70 13.917 2.577 -0.621 1.00 0.00 C ATOM 1090 O GLU A 70 13.942 3.742 -0.229 1.00 0.00 O ATOM 1091 CB GLU A 70 11.750 2.665 -1.825 1.00 0.00 C ATOM 1092 CG GLU A 70 10.807 1.864 -2.694 1.00 0.00 C ATOM 1093 CD GLU A 70 11.074 1.929 -4.190 1.00 0.00 C ATOM 1094 OE1 GLU A 70 10.612 2.880 -4.839 1.00 0.00 O ATOM 1095 OE2 GLU A 70 11.698 0.983 -4.748 1.00 0.00 O ATOM 0 H GLU A 70 12.362 0.283 -1.523 1.00 0.00 H new ATOM 0 HA GLU A 70 13.665 2.590 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.398 2.635 -0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.726 3.708 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.851 0.821 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.790 2.210 -2.510 1.00 0.00 H new ATOM 1102 N ASP A 71 14.454 1.581 0.043 1.00 0.00 N ATOM 1103 CA ASP A 71 15.252 1.784 1.218 1.00 0.00 C ATOM 1104 C ASP A 71 16.704 1.609 0.863 1.00 0.00 C ATOM 1105 O ASP A 71 17.611 2.193 1.470 1.00 0.00 O ATOM 1106 CB ASP A 71 14.837 0.825 2.313 1.00 0.00 C ATOM 1107 CG ASP A 71 15.640 0.943 3.590 1.00 0.00 C ATOM 1108 OD1 ASP A 71 15.276 1.746 4.464 1.00 0.00 O ATOM 1109 OD2 ASP A 71 16.595 0.177 3.773 1.00 0.00 O ATOM 0 H ASP A 71 14.346 0.602 -0.223 1.00 0.00 H new ATOM 0 HA ASP A 71 15.099 2.796 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.785 0.991 2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.924 -0.195 1.937 1.00 0.00 H new ATOM 1114 N LEU A 72 16.894 0.842 -0.151 1.00 0.00 N ATOM 1115 CA LEU A 72 18.197 0.547 -0.680 1.00 0.00 C ATOM 1116 C LEU A 72 18.586 1.670 -1.601 1.00 0.00 C ATOM 1117 O LEU A 72 19.639 2.294 -1.449 1.00 0.00 O ATOM 1118 CB LEU A 72 18.174 -0.768 -1.482 1.00 0.00 C ATOM 1119 CG LEU A 72 17.799 -2.044 -0.728 1.00 0.00 C ATOM 1120 CD1 LEU A 72 17.745 -3.221 -1.684 1.00 0.00 C ATOM 1121 CD2 LEU A 72 18.786 -2.318 0.390 1.00 0.00 C ATOM 0 H LEU A 72 16.134 0.386 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 72 18.908 0.441 0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 72 17.474 -0.647 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.162 -0.913 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 72 16.813 -1.904 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.477 -4.124 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.998 -3.030 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 72 18.721 -3.356 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.499 -3.231 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.785 -2.438 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.784 -1.483 1.090 1.00 0.00 H new ATOM 1133 N GLU A 73 17.706 1.949 -2.529 1.00 0.00 N ATOM 1134 CA GLU A 73 17.915 2.955 -3.516 1.00 0.00 C ATOM 1135 C GLU A 73 17.101 4.168 -3.142 1.00 0.00 C ATOM 1136 O GLU A 73 15.867 4.109 -3.133 1.00 0.00 O ATOM 1137 CB GLU A 73 17.474 2.435 -4.883 1.00 0.00 C ATOM 1138 CG GLU A 73 18.143 1.130 -5.300 1.00 0.00 C ATOM 1139 CD GLU A 73 19.650 1.228 -5.345 1.00 0.00 C ATOM 1140 OE1 GLU A 73 20.326 0.743 -4.411 1.00 0.00 O ATOM 1141 OE2 GLU A 73 20.189 1.803 -6.306 1.00 0.00 O ATOM 0 H GLU A 73 16.810 1.469 -2.614 1.00 0.00 H new ATOM 0 HA GLU A 73 18.972 3.217 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 73 16.394 2.290 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 73 17.686 3.196 -5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.856 0.342 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.774 0.837 -6.283 1.00 0.00 H new ATOM 1148 N HIS A 74 17.798 5.239 -2.776 1.00 0.00 N ATOM 1149 CA HIS A 74 17.186 6.513 -2.392 1.00 0.00 C ATOM 1150 C HIS A 74 16.392 6.395 -1.084 1.00 0.00 C ATOM 1151 O HIS A 74 16.500 5.399 -0.356 1.00 0.00 O ATOM 1152 CB HIS A 74 16.308 7.102 -3.535 1.00 0.00 C ATOM 1153 CG HIS A 74 17.090 7.531 -4.743 1.00 0.00 C ATOM 1154 ND1 HIS A 74 17.664 8.774 -4.878 1.00 0.00 N ATOM 1155 CD2 HIS A 74 17.404 6.850 -5.872 1.00 0.00 C ATOM 1156 CE1 HIS A 74 18.298 8.812 -6.048 1.00 0.00 C ATOM 1157 NE2 HIS A 74 18.172 7.665 -6.696 1.00 0.00 N ATOM 0 H HIS A 74 18.817 5.250 -2.736 1.00 0.00 H new ATOM 0 HA HIS A 74 18.003 7.213 -2.215 1.00 0.00 H new ATOM 0 HB2 HIS A 74 15.573 6.356 -3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.754 7.958 -3.150 1.00 0.00 H new ATOM 0 HD2 HIS A 74 17.105 5.836 -6.096 1.00 0.00 H new ATOM 0 HE1 HIS A 74 18.844 9.667 -6.420 1.00 0.00 H new ATOM 0 HE2 HIS A 74 18.558 7.428 -7.610 1.00 0.00 H new ATOM 1165 N HIS A 75 15.677 7.434 -0.750 1.00 0.00 N ATOM 1166 CA HIS A 75 14.811 7.452 0.400 1.00 0.00 C ATOM 1167 C HIS A 75 13.706 8.435 0.126 1.00 0.00 C ATOM 1168 O HIS A 75 13.722 9.120 -0.918 1.00 0.00 O ATOM 1169 CB HIS A 75 15.566 7.827 1.715 1.00 0.00 C ATOM 1170 CG HIS A 75 16.131 9.232 1.787 1.00 0.00 C ATOM 1171 ND1 HIS A 75 15.536 10.269 2.475 1.00 0.00 N ATOM 1172 CD2 HIS A 75 17.266 9.737 1.273 1.00 0.00 C ATOM 1173 CE1 HIS A 75 16.307 11.345 2.358 1.00 0.00 C ATOM 1174 NE2 HIS A 75 17.380 11.078 1.634 1.00 0.00 N ATOM 0 H HIS A 75 15.679 8.307 -1.277 1.00 0.00 H new ATOM 0 HA HIS A 75 14.413 6.450 0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 75 14.883 7.690 2.553 1.00 0.00 H new ATOM 0 HB3 HIS A 75 16.385 7.121 1.853 1.00 0.00 H new ATOM 0 HD2 HIS A 75 17.978 9.189 0.674 1.00 0.00 H new ATOM 0 HE1 HIS A 75 16.087 12.308 2.795 1.00 0.00 H new ATOM 0 HE2 HIS A 75 18.134 11.720 1.390 1.00 0.00 H new ATOM 1182 N HIS A 76 12.757 8.507 1.002 1.00 0.00 N ATOM 1183 CA HIS A 76 11.694 9.445 0.864 1.00 0.00 C ATOM 1184 C HIS A 76 11.809 10.451 1.963 1.00 0.00 C ATOM 1185 O HIS A 76 12.311 11.552 1.703 1.00 0.00 O ATOM 1186 CB HIS A 76 10.315 8.758 0.844 1.00 0.00 C ATOM 1187 CG HIS A 76 10.093 7.886 -0.362 1.00 0.00 C ATOM 1188 ND1 HIS A 76 9.236 8.200 -1.397 1.00 0.00 N ATOM 1189 CD2 HIS A 76 10.658 6.698 -0.696 1.00 0.00 C ATOM 1190 CE1 HIS A 76 9.305 7.222 -2.306 1.00 0.00 C ATOM 1191 NE2 HIS A 76 10.158 6.281 -1.926 1.00 0.00 N ATOM 1192 OXT HIS A 76 11.494 10.120 3.116 1.00 0.00 O ATOM 0 H HIS A 76 12.698 7.917 1.832 1.00 0.00 H new ATOM 0 HA HIS A 76 11.778 9.951 -0.098 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.207 8.153 1.744 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.538 9.521 0.878 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.382 6.161 -0.101 1.00 0.00 H new ATOM 0 HE1 HIS A 76 8.741 7.201 -3.227 1.00 0.00 H new ATOM 0 HE2 HIS A 76 10.398 5.428 -2.431 1.00 0.00 H new TER 1200 HIS A 76