USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 614 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.3!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 20 SER OG : rot 15:sc= 0.327 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc=-0.00884 X(o=-0.0088,f=0) USER MOD Single : A 30 ASN : amide:sc= -3.08 K(o=-3.1,f=-5.6!) USER MOD Single : A 34 THR OG1 : rot 128:sc= 1 USER MOD Single : A 39 SER OG : rot 180:sc= -0.321 USER MOD Single : A 40 MET CE :methyl -154:sc= -0.164 (180deg=-1.03) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 50 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.18) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1.1) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0684 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -91:sc= -2.17! USER MOD Single : A 71 ASN : amide:sc= -0.905 X(o=-0.9,f=-0.87) USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.256) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -2.546 -16.503 4.434 1.00 0.00 N ATOM 2 CA ALA A 2 -2.276 -16.064 5.792 1.00 0.00 C ATOM 3 C ALA A 2 -0.796 -16.287 6.111 1.00 0.00 C ATOM 4 O ALA A 2 -0.462 -17.058 7.010 1.00 0.00 O ATOM 5 CB ALA A 2 -3.200 -16.804 6.761 1.00 0.00 C ATOM 0 HA ALA A 2 -2.479 -14.998 5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.997 -16.475 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.239 -16.589 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.023 -17.877 6.685 1.00 0.00 H new ATOM 11 N ASP A 3 0.049 -15.599 5.359 1.00 0.00 N ATOM 12 CA ASP A 3 1.485 -15.712 5.550 1.00 0.00 C ATOM 13 C ASP A 3 2.042 -14.365 6.014 1.00 0.00 C ATOM 14 O ASP A 3 1.314 -13.375 6.069 1.00 0.00 O ATOM 15 CB ASP A 3 2.187 -16.089 4.244 1.00 0.00 C ATOM 16 CG ASP A 3 3.425 -16.973 4.408 1.00 0.00 C ATOM 17 OD1 ASP A 3 3.733 -17.309 5.571 1.00 0.00 O ATOM 18 OD2 ASP A 3 4.037 -17.290 3.365 1.00 0.00 O ATOM 0 H ASP A 3 -0.233 -14.960 4.615 1.00 0.00 H new ATOM 0 HA ASP A 3 1.665 -16.488 6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.473 -16.604 3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.478 -15.174 3.728 1.00 0.00 H new ATOM 23 N GLU A 4 3.326 -14.371 6.336 1.00 0.00 N ATOM 24 CA GLU A 4 3.989 -13.161 6.793 1.00 0.00 C ATOM 25 C GLU A 4 4.785 -12.528 5.652 1.00 0.00 C ATOM 26 O GLU A 4 5.180 -11.366 5.735 1.00 0.00 O ATOM 27 CB GLU A 4 4.889 -13.450 7.996 1.00 0.00 C ATOM 28 CG GLU A 4 6.095 -14.300 7.587 1.00 0.00 C ATOM 29 CD GLU A 4 6.763 -14.927 8.812 1.00 0.00 C ATOM 30 OE1 GLU A 4 7.345 -14.153 9.600 1.00 0.00 O ATOM 31 OE2 GLU A 4 6.677 -16.169 8.931 1.00 0.00 O ATOM 0 H GLU A 4 3.926 -15.195 6.290 1.00 0.00 H new ATOM 0 HA GLU A 4 3.226 -12.452 7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.232 -12.512 8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.318 -13.969 8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.776 -15.084 6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.816 -13.682 7.052 1.00 0.00 H new ATOM 38 N ALA A 5 5.000 -13.320 4.611 1.00 0.00 N ATOM 39 CA ALA A 5 5.742 -12.852 3.454 1.00 0.00 C ATOM 40 C ALA A 5 4.869 -11.889 2.647 1.00 0.00 C ATOM 41 O ALA A 5 5.348 -11.240 1.720 1.00 0.00 O ATOM 42 CB ALA A 5 6.206 -14.051 2.625 1.00 0.00 C ATOM 0 H ALA A 5 4.672 -14.284 4.546 1.00 0.00 H new ATOM 0 HA ALA A 5 6.633 -12.307 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.763 -13.699 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.848 -14.688 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.339 -14.621 2.293 1.00 0.00 H new ATOM 48 N ILE A 6 3.602 -11.828 3.031 1.00 0.00 N ATOM 49 CA ILE A 6 2.657 -10.956 2.355 1.00 0.00 C ATOM 50 C ILE A 6 2.594 -9.615 3.089 1.00 0.00 C ATOM 51 O ILE A 6 2.655 -8.557 2.462 1.00 0.00 O ATOM 52 CB ILE A 6 1.297 -11.644 2.215 1.00 0.00 C ATOM 53 CG1 ILE A 6 1.191 -12.379 0.877 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.154 -10.647 2.414 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.200 -12.992 0.697 1.00 0.00 C ATOM 0 H ILE A 6 3.208 -12.368 3.801 1.00 0.00 H new ATOM 0 HA ILE A 6 2.990 -10.749 1.338 1.00 0.00 H new ATOM 0 HB ILE A 6 1.210 -12.393 3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.396 -11.687 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.947 -13.163 0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.801 -11.162 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.223 -10.209 3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.225 -9.858 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.249 -13.508 -0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.392 -13.702 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.951 -12.203 0.723 1.00 0.00 H new ATOM 67 N LYS A 7 2.471 -9.701 4.405 1.00 0.00 N ATOM 68 CA LYS A 7 2.398 -8.507 5.230 1.00 0.00 C ATOM 69 C LYS A 7 3.733 -7.764 5.162 1.00 0.00 C ATOM 70 O LYS A 7 3.767 -6.535 5.202 1.00 0.00 O ATOM 71 CB LYS A 7 1.966 -8.865 6.654 1.00 0.00 C ATOM 72 CG LYS A 7 0.956 -7.850 7.191 1.00 0.00 C ATOM 73 CD LYS A 7 1.204 -7.562 8.674 1.00 0.00 C ATOM 74 CE LYS A 7 0.368 -8.488 9.559 1.00 0.00 C ATOM 75 NZ LYS A 7 0.094 -7.847 10.866 1.00 0.00 N ATOM 0 H LYS A 7 2.420 -10.579 4.921 1.00 0.00 H new ATOM 0 HA LYS A 7 1.634 -7.828 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.526 -9.862 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.839 -8.895 7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.027 -6.924 6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.056 -8.232 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.262 -7.693 8.902 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.957 -6.523 8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.571 -8.727 9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.896 -9.429 9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.474 -8.489 11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.993 -7.641 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.429 -6.961 10.715 1.00 0.00 H new ATOM 89 N ASN A 8 4.803 -8.540 5.059 1.00 0.00 N ATOM 90 CA ASN A 8 6.137 -7.971 4.984 1.00 0.00 C ATOM 91 C ASN A 8 6.361 -7.388 3.587 1.00 0.00 C ATOM 92 O ASN A 8 6.734 -6.225 3.448 1.00 0.00 O ATOM 93 CB ASN A 8 7.206 -9.037 5.230 1.00 0.00 C ATOM 94 CG ASN A 8 8.394 -8.457 6.000 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.546 -7.255 6.144 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.224 -9.375 6.486 1.00 0.00 N ATOM 0 H ASN A 8 4.772 -9.559 5.026 1.00 0.00 H new ATOM 0 HA ASN A 8 6.217 -7.198 5.749 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.775 -9.866 5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.548 -9.440 4.277 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.047 -9.089 7.016 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.038 -10.365 6.329 1.00 0.00 H new ATOM 103 N GLY A 9 6.125 -8.225 2.588 1.00 0.00 N ATOM 104 CA GLY A 9 6.296 -7.809 1.206 1.00 0.00 C ATOM 105 C GLY A 9 5.496 -6.539 0.914 1.00 0.00 C ATOM 106 O GLY A 9 6.023 -5.585 0.344 1.00 0.00 O ATOM 0 H GLY A 9 5.817 -9.190 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.352 -7.632 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.973 -8.608 0.539 1.00 0.00 H new ATOM 110 N VAL A 10 4.233 -6.567 1.315 1.00 0.00 N ATOM 111 CA VAL A 10 3.353 -5.430 1.103 1.00 0.00 C ATOM 112 C VAL A 10 4.003 -4.174 1.686 1.00 0.00 C ATOM 113 O VAL A 10 3.967 -3.109 1.070 1.00 0.00 O ATOM 114 CB VAL A 10 1.973 -5.719 1.694 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.221 -4.420 1.989 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.159 -6.626 0.770 1.00 0.00 C ATOM 0 H VAL A 10 3.798 -7.360 1.786 1.00 0.00 H new ATOM 0 HA VAL A 10 3.204 -5.255 0.038 1.00 0.00 H new ATOM 0 HB VAL A 10 2.116 -6.245 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.242 -4.653 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.790 -3.825 2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.094 -3.855 1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.182 -6.816 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.030 -6.139 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.684 -7.571 0.632 1.00 0.00 H new ATOM 126 N LEU A 11 4.583 -4.338 2.866 1.00 0.00 N ATOM 127 CA LEU A 11 5.240 -3.231 3.538 1.00 0.00 C ATOM 128 C LEU A 11 6.555 -2.913 2.824 1.00 0.00 C ATOM 129 O LEU A 11 6.832 -1.757 2.511 1.00 0.00 O ATOM 130 CB LEU A 11 5.406 -3.531 5.029 1.00 0.00 C ATOM 131 CG LEU A 11 4.932 -2.441 5.991 1.00 0.00 C ATOM 132 CD1 LEU A 11 5.602 -2.586 7.359 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.148 -1.049 5.392 1.00 0.00 C ATOM 0 H LEU A 11 4.611 -5.222 3.374 1.00 0.00 H new ATOM 0 HA LEU A 11 4.623 -2.334 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.864 -4.449 5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.460 -3.726 5.224 1.00 0.00 H new ATOM 0 HG LEU A 11 3.860 -2.564 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.247 -1.798 8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.354 -3.559 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.683 -2.505 7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.803 -0.292 6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.209 -0.900 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.587 -0.962 4.462 1.00 0.00 H new ATOM 145 N ASP A 12 7.331 -3.962 2.588 1.00 0.00 N ATOM 146 CA ASP A 12 8.610 -3.809 1.916 1.00 0.00 C ATOM 147 C ASP A 12 8.397 -3.107 0.574 1.00 0.00 C ATOM 148 O ASP A 12 9.095 -2.147 0.252 1.00 0.00 O ATOM 149 CB ASP A 12 9.254 -5.170 1.642 1.00 0.00 C ATOM 150 CG ASP A 12 10.779 -5.199 1.761 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.434 -4.934 0.731 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.254 -5.487 2.881 1.00 0.00 O ATOM 0 H ASP A 12 7.098 -4.920 2.850 1.00 0.00 H new ATOM 0 HA ASP A 12 9.263 -3.225 2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.836 -5.899 2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.977 -5.491 0.638 1.00 0.00 H new ATOM 157 N ILE A 13 7.427 -3.614 -0.175 1.00 0.00 N ATOM 158 CA ILE A 13 7.113 -3.049 -1.476 1.00 0.00 C ATOM 159 C ILE A 13 6.663 -1.597 -1.300 1.00 0.00 C ATOM 160 O ILE A 13 6.735 -0.803 -2.237 1.00 0.00 O ATOM 161 CB ILE A 13 6.094 -3.924 -2.209 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.794 -4.981 -3.064 1.00 0.00 C ATOM 163 CG2 ILE A 13 5.128 -3.068 -3.031 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.078 -6.330 -2.965 1.00 0.00 C ATOM 0 H ILE A 13 6.849 -4.410 0.095 1.00 0.00 H new ATOM 0 HA ILE A 13 8.000 -3.035 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 13 5.500 -4.455 -1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.819 -4.654 -4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.829 -5.090 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.414 -3.714 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.592 -2.387 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.689 -2.492 -3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.597 -7.063 -3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.076 -6.666 -1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.051 -6.223 -3.314 1.00 0.00 H new ATOM 176 N LEU A 14 6.209 -1.293 -0.093 1.00 0.00 N ATOM 177 CA LEU A 14 5.747 0.049 0.217 1.00 0.00 C ATOM 178 C LEU A 14 6.951 0.936 0.541 1.00 0.00 C ATOM 179 O LEU A 14 7.241 1.886 -0.185 1.00 0.00 O ATOM 180 CB LEU A 14 4.695 0.011 1.327 1.00 0.00 C ATOM 181 CG LEU A 14 3.356 0.675 1.004 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.615 -0.089 -0.095 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.503 0.833 2.265 1.00 0.00 C ATOM 0 H LEU A 14 6.151 -1.953 0.682 1.00 0.00 H new ATOM 0 HA LEU A 14 5.249 0.489 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.508 -1.031 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.112 0.491 2.212 1.00 0.00 H new ATOM 0 HG LEU A 14 3.556 1.676 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.666 0.405 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.223 -0.106 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.427 -1.111 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.556 1.308 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.310 -0.148 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.034 1.452 2.988 1.00 0.00 H new ATOM 195 N ALA A 15 7.621 0.593 1.632 1.00 0.00 N ATOM 196 CA ALA A 15 8.788 1.346 2.062 1.00 0.00 C ATOM 197 C ALA A 15 9.822 1.362 0.934 1.00 0.00 C ATOM 198 O ALA A 15 10.707 2.216 0.911 1.00 0.00 O ATOM 199 CB ALA A 15 9.341 0.738 3.352 1.00 0.00 C ATOM 0 H ALA A 15 7.378 -0.196 2.231 1.00 0.00 H new ATOM 0 HA ALA A 15 8.520 2.380 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.216 1.302 3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.578 0.777 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.624 -0.299 3.173 1.00 0.00 H new ATOM 205 N ASP A 16 9.677 0.407 0.027 1.00 0.00 N ATOM 206 CA ASP A 16 10.587 0.301 -1.100 1.00 0.00 C ATOM 207 C ASP A 16 10.147 1.269 -2.200 1.00 0.00 C ATOM 208 O ASP A 16 10.977 1.788 -2.945 1.00 0.00 O ATOM 209 CB ASP A 16 10.579 -1.113 -1.684 1.00 0.00 C ATOM 210 CG ASP A 16 11.404 -1.291 -2.960 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.383 -0.529 -3.114 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.037 -2.185 -3.753 1.00 0.00 O ATOM 0 H ASP A 16 8.943 -0.300 0.050 1.00 0.00 H new ATOM 0 HA ASP A 16 11.590 0.539 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.953 -1.804 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.548 -1.397 -1.894 1.00 0.00 H new ATOM 217 N LEU A 17 8.842 1.484 -2.266 1.00 0.00 N ATOM 218 CA LEU A 17 8.280 2.381 -3.262 1.00 0.00 C ATOM 219 C LEU A 17 8.607 3.827 -2.882 1.00 0.00 C ATOM 220 O LEU A 17 9.175 4.569 -3.681 1.00 0.00 O ATOM 221 CB LEU A 17 6.784 2.115 -3.441 1.00 0.00 C ATOM 222 CG LEU A 17 6.332 1.749 -4.855 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.945 0.272 -4.943 1.00 0.00 C ATOM 224 CD2 LEU A 17 5.201 2.667 -5.325 1.00 0.00 C ATOM 0 H LEU A 17 8.157 1.052 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 17 8.731 2.197 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.496 1.307 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.237 3.003 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 17 7.173 1.902 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.627 0.039 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.804 -0.345 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.127 0.068 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.899 2.385 -6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.350 2.571 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.548 3.700 -5.326 1.00 0.00 H new ATOM 236 N THR A 18 8.233 4.182 -1.662 1.00 0.00 N ATOM 237 CA THR A 18 8.479 5.526 -1.166 1.00 0.00 C ATOM 238 C THR A 18 9.980 5.822 -1.150 1.00 0.00 C ATOM 239 O THR A 18 10.387 6.983 -1.148 1.00 0.00 O ATOM 240 CB THR A 18 7.820 5.651 0.210 1.00 0.00 C ATOM 241 OG1 THR A 18 8.256 4.489 0.909 1.00 0.00 O ATOM 242 CG2 THR A 18 6.300 5.500 0.146 1.00 0.00 C ATOM 0 H THR A 18 7.762 3.563 -1.002 1.00 0.00 H new ATOM 0 HA THR A 18 8.038 6.276 -1.822 1.00 0.00 H new ATOM 0 HB THR A 18 8.070 6.618 0.647 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.877 4.489 1.813 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.882 5.597 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.884 6.276 -0.497 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.048 4.520 -0.259 1.00 0.00 H new ATOM 250 N GLY A 19 10.761 4.753 -1.140 1.00 0.00 N ATOM 251 CA GLY A 19 12.209 4.883 -1.123 1.00 0.00 C ATOM 252 C GLY A 19 12.697 5.409 0.227 1.00 0.00 C ATOM 253 O GLY A 19 13.727 6.078 0.302 1.00 0.00 O ATOM 0 H GLY A 19 10.419 3.792 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.667 3.915 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.526 5.559 -1.917 1.00 0.00 H new ATOM 257 N SER A 20 11.935 5.089 1.262 1.00 0.00 N ATOM 258 CA SER A 20 12.277 5.522 2.606 1.00 0.00 C ATOM 259 C SER A 20 11.742 4.518 3.631 1.00 0.00 C ATOM 260 O SER A 20 10.884 3.697 3.311 1.00 0.00 O ATOM 261 CB SER A 20 11.724 6.919 2.893 1.00 0.00 C ATOM 262 OG SER A 20 12.524 7.941 2.304 1.00 0.00 O ATOM 0 H SER A 20 11.081 4.535 1.197 1.00 0.00 H new ATOM 0 HA SER A 20 13.363 5.568 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.705 6.991 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.673 7.074 3.971 1.00 0.00 H new ATOM 0 HG SER A 20 13.122 7.544 1.636 1.00 0.00 H new ATOM 268 N ASP A 21 12.270 4.620 4.841 1.00 0.00 N ATOM 269 CA ASP A 21 11.858 3.731 5.914 1.00 0.00 C ATOM 270 C ASP A 21 11.008 4.513 6.920 1.00 0.00 C ATOM 271 O ASP A 21 11.490 4.880 7.990 1.00 0.00 O ATOM 272 CB ASP A 21 13.068 3.164 6.658 1.00 0.00 C ATOM 273 CG ASP A 21 13.420 1.716 6.311 1.00 0.00 C ATOM 274 OD1 ASP A 21 12.602 1.086 5.607 1.00 0.00 O ATOM 275 OD2 ASP A 21 14.500 1.272 6.758 1.00 0.00 O ATOM 0 H ASP A 21 12.980 5.305 5.103 1.00 0.00 H new ATOM 0 HA ASP A 21 11.291 2.911 5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.933 3.793 6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.880 3.230 7.730 1.00 0.00 H new ATOM 280 N ASP A 22 9.761 4.745 6.538 1.00 0.00 N ATOM 281 CA ASP A 22 8.841 5.477 7.393 1.00 0.00 C ATOM 282 C ASP A 22 7.584 4.635 7.619 1.00 0.00 C ATOM 283 O ASP A 22 7.083 4.550 8.739 1.00 0.00 O ATOM 284 CB ASP A 22 8.418 6.796 6.744 1.00 0.00 C ATOM 285 CG ASP A 22 8.429 8.008 7.677 1.00 0.00 C ATOM 286 OD1 ASP A 22 8.168 7.800 8.881 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.699 9.116 7.165 1.00 0.00 O ATOM 0 H ASP A 22 9.366 4.439 5.649 1.00 0.00 H new ATOM 0 HA ASP A 22 9.348 5.686 8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.080 6.998 5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.413 6.678 6.338 1.00 0.00 H new ATOM 292 N VAL A 23 7.109 4.035 6.537 1.00 0.00 N ATOM 293 CA VAL A 23 5.919 3.204 6.603 1.00 0.00 C ATOM 294 C VAL A 23 6.282 1.849 7.213 1.00 0.00 C ATOM 295 O VAL A 23 5.472 1.241 7.910 1.00 0.00 O ATOM 296 CB VAL A 23 5.287 3.086 5.215 1.00 0.00 C ATOM 297 CG1 VAL A 23 5.099 4.464 4.578 1.00 0.00 C ATOM 298 CG2 VAL A 23 6.115 2.171 4.310 1.00 0.00 C ATOM 0 H VAL A 23 7.527 4.108 5.609 1.00 0.00 H new ATOM 0 HA VAL A 23 5.169 3.660 7.249 1.00 0.00 H new ATOM 0 HB VAL A 23 4.302 2.636 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.648 4.351 3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.447 5.070 5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.067 4.955 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.643 2.105 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.120 2.579 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.172 1.177 4.753 1.00 0.00 H new ATOM 308 N LYS A 24 7.501 1.415 6.927 1.00 0.00 N ATOM 309 CA LYS A 24 7.982 0.143 7.438 1.00 0.00 C ATOM 310 C LYS A 24 7.654 0.040 8.929 1.00 0.00 C ATOM 311 O LYS A 24 7.517 -1.058 9.464 1.00 0.00 O ATOM 312 CB LYS A 24 9.469 -0.034 7.123 1.00 0.00 C ATOM 313 CG LYS A 24 9.960 -1.417 7.555 1.00 0.00 C ATOM 314 CD LYS A 24 10.453 -1.396 9.004 1.00 0.00 C ATOM 315 CE LYS A 24 10.167 -2.728 9.699 1.00 0.00 C ATOM 316 NZ LYS A 24 11.424 -3.337 10.189 1.00 0.00 N ATOM 0 H LYS A 24 8.170 1.922 6.348 1.00 0.00 H new ATOM 0 HA LYS A 24 7.474 -0.683 6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.636 0.098 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.047 0.737 7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.153 -2.142 7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.766 -1.742 6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.524 -1.193 9.025 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.965 -0.586 9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.483 -2.570 10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.673 -3.408 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.212 -4.241 10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.064 -3.505 9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.880 -2.694 10.867 1.00 0.00 H new ATOM 330 N LYS A 25 7.536 1.201 9.557 1.00 0.00 N ATOM 331 CA LYS A 25 7.226 1.256 10.976 1.00 0.00 C ATOM 332 C LYS A 25 5.765 1.671 11.159 1.00 0.00 C ATOM 333 O LYS A 25 4.907 0.834 11.433 1.00 0.00 O ATOM 334 CB LYS A 25 8.219 2.161 11.707 1.00 0.00 C ATOM 335 CG LYS A 25 8.017 2.087 13.222 1.00 0.00 C ATOM 336 CD LYS A 25 7.060 3.179 13.702 1.00 0.00 C ATOM 337 CE LYS A 25 6.919 3.154 15.225 1.00 0.00 C ATOM 338 NZ LYS A 25 5.967 2.099 15.641 1.00 0.00 N ATOM 0 H LYS A 25 7.649 2.111 9.109 1.00 0.00 H new ATOM 0 HA LYS A 25 7.337 0.270 11.428 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.238 1.865 11.458 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.095 3.190 11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.622 1.108 13.492 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.978 2.193 13.726 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.427 4.155 13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.082 3.039 13.240 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.892 2.975 15.683 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.573 4.125 15.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.883 2.096 16.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.035 2.286 15.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.313 1.173 15.319 1.00 0.00 H new ATOM 352 N ASN A 26 5.527 2.965 10.998 1.00 0.00 N ATOM 353 CA ASN A 26 4.185 3.502 11.142 1.00 0.00 C ATOM 354 C ASN A 26 3.211 2.661 10.313 1.00 0.00 C ATOM 355 O ASN A 26 3.544 2.227 9.211 1.00 0.00 O ATOM 356 CB ASN A 26 4.111 4.944 10.637 1.00 0.00 C ATOM 357 CG ASN A 26 4.585 5.926 11.710 1.00 0.00 C ATOM 358 OD1 ASN A 26 3.944 6.129 12.729 1.00 0.00 O ATOM 359 ND2 ASN A 26 5.739 6.523 11.426 1.00 0.00 N ATOM 0 H ASN A 26 6.241 3.657 10.769 1.00 0.00 H new ATOM 0 HA ASN A 26 3.924 3.476 12.200 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.726 5.052 9.743 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.086 5.180 10.350 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.139 7.197 12.079 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.224 6.307 10.555 1.00 0.00 H new ATOM 366 N LEU A 27 2.029 2.456 10.875 1.00 0.00 N ATOM 367 CA LEU A 27 1.006 1.675 10.201 1.00 0.00 C ATOM 368 C LEU A 27 -0.197 2.569 9.899 1.00 0.00 C ATOM 369 O LEU A 27 -1.326 2.089 9.808 1.00 0.00 O ATOM 370 CB LEU A 27 0.657 0.430 11.021 1.00 0.00 C ATOM 371 CG LEU A 27 1.797 -0.565 11.249 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.507 -1.464 12.452 1.00 0.00 C ATOM 373 CD2 LEU A 27 2.080 -1.375 9.982 1.00 0.00 C ATOM 0 H LEU A 27 1.757 2.817 11.789 1.00 0.00 H new ATOM 0 HA LEU A 27 1.376 1.306 9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.283 0.752 11.993 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.160 -0.092 10.522 1.00 0.00 H new ATOM 0 HG LEU A 27 2.701 -0.002 11.479 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.333 -2.162 12.592 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.395 -0.851 13.346 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.587 -2.021 12.276 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.894 -2.074 10.172 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.185 -1.928 9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.362 -0.700 9.174 1.00 0.00 H new ATOM 385 N ASP A 28 0.085 3.856 9.753 1.00 0.00 N ATOM 386 CA ASP A 28 -0.960 4.822 9.464 1.00 0.00 C ATOM 387 C ASP A 28 -0.328 6.098 8.901 1.00 0.00 C ATOM 388 O ASP A 28 -0.862 7.191 9.081 1.00 0.00 O ATOM 389 CB ASP A 28 -1.731 5.197 10.730 1.00 0.00 C ATOM 390 CG ASP A 28 -3.234 4.918 10.678 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.586 3.742 10.438 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.999 5.887 10.881 1.00 0.00 O ATOM 0 H ASP A 28 1.022 4.251 9.830 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.645 4.371 8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.304 4.652 11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.580 6.258 10.928 1.00 0.00 H new ATOM 397 N LEU A 29 0.801 5.915 8.231 1.00 0.00 N ATOM 398 CA LEU A 29 1.511 7.036 7.641 1.00 0.00 C ATOM 399 C LEU A 29 0.920 7.341 6.264 1.00 0.00 C ATOM 400 O LEU A 29 1.283 6.707 5.274 1.00 0.00 O ATOM 401 CB LEU A 29 3.016 6.765 7.619 1.00 0.00 C ATOM 402 CG LEU A 29 3.914 7.981 7.377 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.167 8.743 8.678 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.217 7.571 6.688 1.00 0.00 C ATOM 0 H LEU A 29 1.241 5.007 8.084 1.00 0.00 H new ATOM 0 HA LEU A 29 1.381 7.932 8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.298 6.314 8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.221 6.027 6.843 1.00 0.00 H new ATOM 0 HG LEU A 29 3.394 8.662 6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.808 9.602 8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.218 9.086 9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.656 8.085 9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.837 8.453 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.753 6.860 7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.991 7.107 5.728 1.00 0.00 H new ATOM 416 N ASN A 30 0.020 8.313 6.242 1.00 0.00 N ATOM 417 CA ASN A 30 -0.625 8.709 5.003 1.00 0.00 C ATOM 418 C ASN A 30 0.401 8.682 3.868 1.00 0.00 C ATOM 419 O ASN A 30 1.418 9.371 3.929 1.00 0.00 O ATOM 420 CB ASN A 30 -1.182 10.131 5.101 1.00 0.00 C ATOM 421 CG ASN A 30 -2.701 10.112 5.287 1.00 0.00 C ATOM 422 OD1 ASN A 30 -3.436 10.876 4.683 1.00 0.00 O ATOM 423 ND2 ASN A 30 -3.128 9.199 6.155 1.00 0.00 N ATOM 0 H ASN A 30 -0.278 8.838 7.064 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.442 8.014 4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.716 10.651 5.938 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.929 10.688 4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.125 9.107 6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.458 8.591 6.626 1.00 0.00 H new ATOM 430 N LEU A 31 0.100 7.878 2.859 1.00 0.00 N ATOM 431 CA LEU A 31 0.983 7.752 1.712 1.00 0.00 C ATOM 432 C LEU A 31 0.645 8.839 0.691 1.00 0.00 C ATOM 433 O LEU A 31 1.130 8.807 -0.439 1.00 0.00 O ATOM 434 CB LEU A 31 0.923 6.332 1.144 1.00 0.00 C ATOM 435 CG LEU A 31 1.387 5.214 2.079 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.979 3.842 1.539 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.893 5.304 2.337 1.00 0.00 C ATOM 0 H LEU A 31 -0.744 7.307 2.812 1.00 0.00 H new ATOM 0 HA LEU A 31 2.020 7.908 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.105 6.125 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.531 6.298 0.240 1.00 0.00 H new ATOM 0 HG LEU A 31 0.888 5.343 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.321 3.065 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.106 3.794 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.431 3.688 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.197 4.498 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.430 5.215 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.126 6.264 2.798 1.00 0.00 H new ATOM 449 N PHE A 32 -0.186 9.776 1.125 1.00 0.00 N ATOM 450 CA PHE A 32 -0.596 10.871 0.261 1.00 0.00 C ATOM 451 C PHE A 32 -0.362 12.221 0.942 1.00 0.00 C ATOM 452 O PHE A 32 0.300 13.095 0.384 1.00 0.00 O ATOM 453 CB PHE A 32 -2.092 10.697 -0.002 1.00 0.00 C ATOM 454 CG PHE A 32 -2.417 10.078 -1.363 1.00 0.00 C ATOM 455 CD1 PHE A 32 -2.248 8.743 -1.561 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.874 10.863 -2.375 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.549 8.168 -2.823 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.175 10.288 -3.638 1.00 0.00 C ATOM 459 CZ PHE A 32 -3.006 8.953 -3.836 1.00 0.00 C ATOM 0 H PHE A 32 -0.586 9.800 2.063 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.017 10.855 -0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.518 10.070 0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.578 11.670 0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.884 8.120 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.008 11.923 -2.218 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.415 7.108 -2.979 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.538 10.911 -4.442 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.234 8.516 -4.797 1.00 0.00 H new ATOM 469 N GLU A 33 -0.919 12.349 2.138 1.00 0.00 N ATOM 470 CA GLU A 33 -0.781 13.578 2.900 1.00 0.00 C ATOM 471 C GLU A 33 0.666 13.755 3.363 1.00 0.00 C ATOM 472 O GLU A 33 1.056 14.839 3.794 1.00 0.00 O ATOM 473 CB GLU A 33 -1.744 13.598 4.088 1.00 0.00 C ATOM 474 CG GLU A 33 -2.738 14.756 3.971 1.00 0.00 C ATOM 475 CD GLU A 33 -3.867 14.413 2.998 1.00 0.00 C ATOM 476 OE1 GLU A 33 -4.483 13.344 3.196 1.00 0.00 O ATOM 477 OE2 GLU A 33 -4.089 15.228 2.076 1.00 0.00 O ATOM 0 H GLU A 33 -1.467 11.621 2.598 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.040 14.416 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.285 12.653 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.180 13.691 5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.155 14.983 4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.219 15.652 3.630 1.00 0.00 H new ATOM 484 N THR A 34 1.424 12.674 3.259 1.00 0.00 N ATOM 485 CA THR A 34 2.820 12.696 3.662 1.00 0.00 C ATOM 486 C THR A 34 3.718 12.983 2.458 1.00 0.00 C ATOM 487 O THR A 34 4.878 13.357 2.620 1.00 0.00 O ATOM 488 CB THR A 34 3.134 11.365 4.351 1.00 0.00 C ATOM 489 OG1 THR A 34 2.086 11.213 5.305 1.00 0.00 O ATOM 490 CG2 THR A 34 4.405 11.431 5.200 1.00 0.00 C ATOM 0 H THR A 34 1.098 11.776 2.901 1.00 0.00 H new ATOM 0 HA THR A 34 3.014 13.500 4.372 1.00 0.00 H new ATOM 0 HB THR A 34 3.240 10.583 3.599 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.668 10.333 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.582 10.462 5.666 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.253 11.689 4.566 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.287 12.190 5.974 1.00 0.00 H new ATOM 498 N GLY A 35 3.148 12.798 1.277 1.00 0.00 N ATOM 499 CA GLY A 35 3.882 13.034 0.045 1.00 0.00 C ATOM 500 C GLY A 35 4.773 11.838 -0.298 1.00 0.00 C ATOM 501 O GLY A 35 5.520 11.877 -1.275 1.00 0.00 O ATOM 0 H GLY A 35 2.185 12.487 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.182 13.217 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.493 13.931 0.147 1.00 0.00 H new ATOM 505 N LEU A 36 4.663 10.804 0.522 1.00 0.00 N ATOM 506 CA LEU A 36 5.449 9.599 0.316 1.00 0.00 C ATOM 507 C LEU A 36 5.176 9.049 -1.085 1.00 0.00 C ATOM 508 O LEU A 36 6.099 8.637 -1.784 1.00 0.00 O ATOM 509 CB LEU A 36 5.184 8.589 1.435 1.00 0.00 C ATOM 510 CG LEU A 36 6.056 8.728 2.685 1.00 0.00 C ATOM 511 CD1 LEU A 36 7.451 8.148 2.446 1.00 0.00 C ATOM 512 CD2 LEU A 36 6.111 10.183 3.156 1.00 0.00 C ATOM 0 H LEU A 36 4.042 10.775 1.330 1.00 0.00 H new ATOM 0 HA LEU A 36 6.514 9.826 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.139 8.674 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.320 7.586 1.031 1.00 0.00 H new ATOM 0 HG LEU A 36 5.600 8.148 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.051 8.259 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.367 7.091 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.930 8.680 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.737 10.254 4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.531 10.806 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.104 10.527 3.392 1.00 0.00 H new ATOM 524 N LEU A 37 3.903 9.062 -1.453 1.00 0.00 N ATOM 525 CA LEU A 37 3.497 8.571 -2.759 1.00 0.00 C ATOM 526 C LEU A 37 2.829 9.704 -3.540 1.00 0.00 C ATOM 527 O LEU A 37 2.586 10.780 -2.996 1.00 0.00 O ATOM 528 CB LEU A 37 2.621 7.325 -2.613 1.00 0.00 C ATOM 529 CG LEU A 37 3.305 5.987 -2.903 1.00 0.00 C ATOM 530 CD1 LEU A 37 2.287 4.846 -2.930 1.00 0.00 C ATOM 531 CD2 LEU A 37 4.123 6.057 -4.194 1.00 0.00 C ATOM 0 H LEU A 37 3.140 9.405 -0.870 1.00 0.00 H new ATOM 0 HA LEU A 37 4.367 8.256 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.229 7.297 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.766 7.426 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 37 4.002 5.777 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.799 3.906 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.788 4.781 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.548 5.036 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.598 5.093 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.466 6.301 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.889 6.827 -4.098 1.00 0.00 H new ATOM 543 N ASP A 38 2.551 9.424 -4.806 1.00 0.00 N ATOM 544 CA ASP A 38 1.915 10.407 -5.668 1.00 0.00 C ATOM 545 C ASP A 38 0.600 9.836 -6.200 1.00 0.00 C ATOM 546 O ASP A 38 -0.456 10.035 -5.602 1.00 0.00 O ATOM 547 CB ASP A 38 2.805 10.745 -6.865 1.00 0.00 C ATOM 548 CG ASP A 38 3.823 9.665 -7.241 1.00 0.00 C ATOM 549 OD1 ASP A 38 4.779 9.489 -6.455 1.00 0.00 O ATOM 550 OD2 ASP A 38 3.621 9.041 -8.305 1.00 0.00 O ATOM 0 H ASP A 38 2.754 8.531 -5.255 1.00 0.00 H new ATOM 0 HA ASP A 38 1.741 11.310 -5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.168 10.939 -7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.341 11.669 -6.650 1.00 0.00 H new ATOM 555 N SER A 39 0.706 9.138 -7.322 1.00 0.00 N ATOM 556 CA SER A 39 -0.461 8.537 -7.944 1.00 0.00 C ATOM 557 C SER A 39 -0.046 7.320 -8.772 1.00 0.00 C ATOM 558 O SER A 39 -0.623 6.243 -8.632 1.00 0.00 O ATOM 559 CB SER A 39 -1.201 9.549 -8.821 1.00 0.00 C ATOM 560 OG SER A 39 -0.531 9.771 -10.060 1.00 0.00 O ATOM 0 H SER A 39 1.583 8.976 -7.816 1.00 0.00 H new ATOM 0 HA SER A 39 -1.141 8.216 -7.155 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.212 9.191 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.295 10.493 -8.285 1.00 0.00 H new ATOM 0 HG SER A 39 -1.035 10.421 -10.592 1.00 0.00 H new ATOM 566 N MET A 40 0.952 7.532 -9.617 1.00 0.00 N ATOM 567 CA MET A 40 1.451 6.465 -10.468 1.00 0.00 C ATOM 568 C MET A 40 2.088 5.352 -9.634 1.00 0.00 C ATOM 569 O MET A 40 2.260 4.233 -10.115 1.00 0.00 O ATOM 570 CB MET A 40 2.489 7.031 -11.440 1.00 0.00 C ATOM 571 CG MET A 40 1.822 7.908 -12.503 1.00 0.00 C ATOM 572 SD MET A 40 0.785 6.908 -13.557 1.00 0.00 S ATOM 573 CE MET A 40 2.030 5.922 -14.373 1.00 0.00 C ATOM 0 H MET A 40 1.429 8.427 -9.731 1.00 0.00 H new ATOM 0 HA MET A 40 0.612 6.044 -11.022 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.226 7.616 -10.891 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.026 6.214 -11.922 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.226 8.685 -12.024 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.582 8.412 -13.100 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.657 5.596 -15.344 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.932 6.518 -14.512 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.262 5.050 -13.762 1.00 0.00 H new ATOM 583 N GLY A 41 2.422 5.697 -8.399 1.00 0.00 N ATOM 584 CA GLY A 41 3.036 4.740 -7.494 1.00 0.00 C ATOM 585 C GLY A 41 2.073 3.595 -7.171 1.00 0.00 C ATOM 586 O GLY A 41 2.400 2.428 -7.381 1.00 0.00 O ATOM 0 H GLY A 41 2.279 6.626 -8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.945 4.340 -7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.331 5.243 -6.573 1.00 0.00 H new ATOM 590 N THR A 42 0.906 3.970 -6.669 1.00 0.00 N ATOM 591 CA THR A 42 -0.106 2.988 -6.316 1.00 0.00 C ATOM 592 C THR A 42 -0.297 1.985 -7.455 1.00 0.00 C ATOM 593 O THR A 42 -0.532 0.803 -7.213 1.00 0.00 O ATOM 594 CB THR A 42 -1.386 3.741 -5.947 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.900 3.026 -4.827 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.476 3.599 -7.012 1.00 0.00 C ATOM 0 H THR A 42 0.638 4.939 -6.498 1.00 0.00 H new ATOM 0 HA THR A 42 0.200 2.396 -5.453 1.00 0.00 H new ATOM 0 HB THR A 42 -1.156 4.796 -5.800 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.730 3.449 -4.522 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.363 4.152 -6.701 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.113 3.998 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.730 2.546 -7.135 1.00 0.00 H new ATOM 604 N VAL A 43 -0.190 2.495 -8.673 1.00 0.00 N ATOM 605 CA VAL A 43 -0.349 1.659 -9.852 1.00 0.00 C ATOM 606 C VAL A 43 0.671 0.520 -9.803 1.00 0.00 C ATOM 607 O VAL A 43 0.419 -0.567 -10.320 1.00 0.00 O ATOM 608 CB VAL A 43 -0.234 2.510 -11.118 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.313 1.639 -12.373 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.303 3.605 -11.140 1.00 0.00 C ATOM 0 H VAL A 43 0.005 3.477 -8.870 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.341 1.208 -9.870 1.00 0.00 H new ATOM 0 HB VAL A 43 0.742 2.995 -11.109 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.229 2.269 -13.259 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.501 0.914 -12.364 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.267 1.113 -12.391 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.200 4.196 -12.050 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.292 3.148 -11.114 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.179 4.252 -10.271 1.00 0.00 H new ATOM 620 N GLN A 44 1.803 0.807 -9.177 1.00 0.00 N ATOM 621 CA GLN A 44 2.862 -0.180 -9.054 1.00 0.00 C ATOM 622 C GLN A 44 2.468 -1.258 -8.042 1.00 0.00 C ATOM 623 O GLN A 44 2.246 -2.410 -8.411 1.00 0.00 O ATOM 624 CB GLN A 44 4.185 0.481 -8.664 1.00 0.00 C ATOM 625 CG GLN A 44 5.316 -0.548 -8.599 1.00 0.00 C ATOM 626 CD GLN A 44 6.671 0.108 -8.867 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.945 1.219 -8.446 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.501 -0.640 -9.589 1.00 0.00 N ATOM 0 H GLN A 44 2.010 1.710 -8.749 1.00 0.00 H new ATOM 0 HA GLN A 44 3.004 -0.655 -10.025 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.435 1.256 -9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.079 0.971 -7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.325 -1.022 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.138 -1.336 -9.331 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.208 -1.563 -9.910 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.431 -0.291 -9.821 1.00 0.00 H new ATOM 637 N LEU A 45 2.395 -0.845 -6.785 1.00 0.00 N ATOM 638 CA LEU A 45 2.032 -1.762 -5.717 1.00 0.00 C ATOM 639 C LEU A 45 0.893 -2.666 -6.191 1.00 0.00 C ATOM 640 O LEU A 45 0.944 -3.882 -6.010 1.00 0.00 O ATOM 641 CB LEU A 45 1.711 -0.991 -4.435 1.00 0.00 C ATOM 642 CG LEU A 45 1.329 0.479 -4.615 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.270 0.899 -3.595 1.00 0.00 C ATOM 644 CD2 LEU A 45 2.566 1.379 -4.559 1.00 0.00 C ATOM 0 H LEU A 45 2.581 0.111 -6.482 1.00 0.00 H new ATOM 0 HA LEU A 45 2.873 -2.410 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.893 -1.499 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.578 -1.043 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 45 0.889 0.598 -5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.016 1.948 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.623 0.288 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.661 0.761 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.266 2.419 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.058 1.262 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.257 1.098 -5.354 1.00 0.00 H new ATOM 656 N LEU A 46 -0.107 -2.039 -6.791 1.00 0.00 N ATOM 657 CA LEU A 46 -1.257 -2.772 -7.293 1.00 0.00 C ATOM 658 C LEU A 46 -0.775 -3.942 -8.153 1.00 0.00 C ATOM 659 O LEU A 46 -1.270 -5.060 -8.019 1.00 0.00 O ATOM 660 CB LEU A 46 -2.218 -1.829 -8.021 1.00 0.00 C ATOM 661 CG LEU A 46 -3.609 -1.682 -7.403 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.512 -0.815 -8.283 1.00 0.00 C ATOM 663 CD2 LEU A 46 -4.231 -3.050 -7.119 1.00 0.00 C ATOM 0 H LEU A 46 -0.145 -1.031 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.828 -3.196 -6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.758 -0.842 -8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.333 -2.180 -9.047 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.504 -1.171 -6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.495 -0.727 -7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.072 0.176 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.614 -1.276 -9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.220 -2.916 -6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.320 -3.609 -8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.597 -3.601 -6.424 1.00 0.00 H new ATOM 675 N LEU A 47 0.186 -3.644 -9.016 1.00 0.00 N ATOM 676 CA LEU A 47 0.741 -4.657 -9.897 1.00 0.00 C ATOM 677 C LEU A 47 1.522 -5.677 -9.066 1.00 0.00 C ATOM 678 O LEU A 47 1.721 -6.811 -9.497 1.00 0.00 O ATOM 679 CB LEU A 47 1.566 -4.007 -11.008 1.00 0.00 C ATOM 680 CG LEU A 47 1.362 -4.572 -12.416 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.078 -5.913 -12.577 1.00 0.00 C ATOM 682 CD2 LEU A 47 -0.127 -4.673 -12.754 1.00 0.00 C ATOM 0 H LEU A 47 0.594 -2.715 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.057 -5.201 -10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.335 -2.942 -11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.621 -4.099 -10.751 1.00 0.00 H new ATOM 0 HG LEU A 47 1.809 -3.881 -13.131 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.917 -6.293 -13.586 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.146 -5.778 -12.406 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.682 -6.626 -11.854 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.245 -5.077 -13.759 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.619 -5.332 -12.038 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.579 -3.682 -12.706 1.00 0.00 H new ATOM 694 N GLU A 48 1.943 -5.236 -7.890 1.00 0.00 N ATOM 695 CA GLU A 48 2.699 -6.096 -6.995 1.00 0.00 C ATOM 696 C GLU A 48 1.753 -6.832 -6.043 1.00 0.00 C ATOM 697 O GLU A 48 2.127 -7.844 -5.450 1.00 0.00 O ATOM 698 CB GLU A 48 3.745 -5.295 -6.219 1.00 0.00 C ATOM 699 CG GLU A 48 5.077 -6.047 -6.158 1.00 0.00 C ATOM 700 CD GLU A 48 5.575 -6.393 -7.562 1.00 0.00 C ATOM 701 OE1 GLU A 48 6.250 -5.524 -8.156 1.00 0.00 O ATOM 702 OE2 GLU A 48 5.270 -7.519 -8.011 1.00 0.00 O ATOM 0 H GLU A 48 1.775 -4.294 -7.536 1.00 0.00 H new ATOM 0 HA GLU A 48 3.229 -6.837 -7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.892 -4.325 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.385 -5.103 -5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.820 -5.437 -5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.957 -6.960 -5.575 1.00 0.00 H new ATOM 709 N LEU A 49 0.548 -6.296 -5.925 1.00 0.00 N ATOM 710 CA LEU A 49 -0.454 -6.888 -5.056 1.00 0.00 C ATOM 711 C LEU A 49 -1.327 -7.846 -5.869 1.00 0.00 C ATOM 712 O LEU A 49 -2.082 -8.636 -5.304 1.00 0.00 O ATOM 713 CB LEU A 49 -1.246 -5.799 -4.330 1.00 0.00 C ATOM 714 CG LEU A 49 -0.537 -5.125 -3.155 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.528 -4.337 -2.295 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.251 -6.146 -2.331 1.00 0.00 C ATOM 0 H LEU A 49 0.242 -5.457 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 49 0.022 -7.478 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.517 -5.031 -5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.176 -6.236 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 49 0.182 -4.410 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.998 -3.868 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.006 -3.568 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.288 -5.013 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.746 -5.640 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.430 -6.902 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.000 -6.624 -2.963 1.00 0.00 H new ATOM 728 N GLN A 50 -1.195 -7.745 -7.183 1.00 0.00 N ATOM 729 CA GLN A 50 -1.963 -8.592 -8.080 1.00 0.00 C ATOM 730 C GLN A 50 -1.052 -9.626 -8.743 1.00 0.00 C ATOM 731 O GLN A 50 -1.389 -10.174 -9.792 1.00 0.00 O ATOM 732 CB GLN A 50 -2.698 -7.755 -9.130 1.00 0.00 C ATOM 733 CG GLN A 50 -3.788 -8.577 -9.821 1.00 0.00 C ATOM 734 CD GLN A 50 -4.922 -7.677 -10.316 1.00 0.00 C ATOM 735 OE1 GLN A 50 -4.716 -6.551 -10.739 1.00 0.00 O ATOM 736 NE2 GLN A 50 -6.126 -8.235 -10.242 1.00 0.00 N ATOM 0 H GLN A 50 -0.567 -7.089 -7.649 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.714 -9.121 -7.494 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.143 -6.880 -8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.988 -7.390 -9.872 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.359 -9.123 -10.661 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.184 -9.319 -9.127 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.228 -9.182 -9.877 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.948 -7.716 -10.550 1.00 0.00 H new ATOM 745 N SER A 51 0.084 -9.863 -8.104 1.00 0.00 N ATOM 746 CA SER A 51 1.047 -10.822 -8.619 1.00 0.00 C ATOM 747 C SER A 51 1.493 -11.767 -7.501 1.00 0.00 C ATOM 748 O SER A 51 1.314 -12.979 -7.600 1.00 0.00 O ATOM 749 CB SER A 51 2.258 -10.114 -9.231 1.00 0.00 C ATOM 750 OG SER A 51 2.646 -10.696 -10.472 1.00 0.00 O ATOM 0 H SER A 51 0.359 -9.407 -7.234 1.00 0.00 H new ATOM 0 HA SER A 51 0.565 -11.402 -9.406 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.024 -9.060 -9.382 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.094 -10.157 -8.533 1.00 0.00 H new ATOM 0 HG SER A 51 3.421 -10.215 -10.831 1.00 0.00 H new ATOM 756 N GLN A 52 2.064 -11.175 -6.463 1.00 0.00 N ATOM 757 CA GLN A 52 2.537 -11.949 -5.327 1.00 0.00 C ATOM 758 C GLN A 52 1.371 -12.303 -4.403 1.00 0.00 C ATOM 759 O GLN A 52 1.458 -13.249 -3.622 1.00 0.00 O ATOM 760 CB GLN A 52 3.630 -11.195 -4.568 1.00 0.00 C ATOM 761 CG GLN A 52 4.895 -11.057 -5.416 1.00 0.00 C ATOM 762 CD GLN A 52 5.815 -12.266 -5.230 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.506 -13.380 -5.619 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.960 -11.983 -4.615 1.00 0.00 N ATOM 0 H GLN A 52 2.210 -10.169 -6.384 1.00 0.00 H new ATOM 0 HA GLN A 52 2.973 -12.876 -5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.267 -10.206 -4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.864 -11.722 -3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.624 -10.960 -6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.425 -10.146 -5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.155 -11.028 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.643 -12.721 -4.443 1.00 0.00 H new ATOM 773 N PHE A 53 0.306 -11.525 -4.523 1.00 0.00 N ATOM 774 CA PHE A 53 -0.877 -11.743 -3.708 1.00 0.00 C ATOM 775 C PHE A 53 -2.105 -12.008 -4.583 1.00 0.00 C ATOM 776 O PHE A 53 -3.005 -12.747 -4.189 1.00 0.00 O ATOM 777 CB PHE A 53 -1.107 -10.465 -2.900 1.00 0.00 C ATOM 778 CG PHE A 53 0.173 -9.848 -2.334 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.077 -9.270 -3.169 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.409 -9.878 -0.995 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.266 -8.698 -2.644 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.597 -9.306 -0.469 1.00 0.00 C ATOM 783 CZ PHE A 53 2.501 -8.728 -1.305 1.00 0.00 C ATOM 0 H PHE A 53 0.237 -10.742 -5.173 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.729 -12.610 -3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.602 -9.730 -3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.787 -10.685 -2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.891 -9.246 -4.233 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.308 -10.338 -0.331 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.984 -8.239 -3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.783 -9.330 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.405 -8.293 -0.905 1.00 0.00 H new ATOM 793 N GLY A 54 -2.100 -11.388 -5.755 1.00 0.00 N ATOM 794 CA GLY A 54 -3.202 -11.547 -6.688 1.00 0.00 C ATOM 795 C GLY A 54 -4.475 -10.889 -6.152 1.00 0.00 C ATOM 796 O GLY A 54 -5.546 -11.493 -6.171 1.00 0.00 O ATOM 0 H GLY A 54 -1.351 -10.776 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.937 -11.105 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.383 -12.607 -6.865 1.00 0.00 H new ATOM 800 N VAL A 55 -4.315 -9.659 -5.686 1.00 0.00 N ATOM 801 CA VAL A 55 -5.438 -8.911 -5.146 1.00 0.00 C ATOM 802 C VAL A 55 -6.264 -8.337 -6.298 1.00 0.00 C ATOM 803 O VAL A 55 -5.800 -8.290 -7.437 1.00 0.00 O ATOM 804 CB VAL A 55 -4.935 -7.840 -4.177 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.408 -6.619 -4.936 1.00 0.00 C ATOM 806 CG2 VAL A 55 -6.030 -7.438 -3.186 1.00 0.00 C ATOM 0 H VAL A 55 -3.425 -9.162 -5.671 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.094 -9.566 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.108 -8.265 -3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.056 -5.872 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.584 -6.920 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.208 -6.194 -5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.646 -6.675 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.886 -7.041 -3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.339 -8.311 -2.611 1.00 0.00 H new ATOM 816 N ASP A 56 -7.474 -7.913 -5.962 1.00 0.00 N ATOM 817 CA ASP A 56 -8.369 -7.342 -6.955 1.00 0.00 C ATOM 818 C ASP A 56 -8.927 -6.017 -6.431 1.00 0.00 C ATOM 819 O ASP A 56 -9.650 -5.995 -5.435 1.00 0.00 O ATOM 820 CB ASP A 56 -9.548 -8.276 -7.233 1.00 0.00 C ATOM 821 CG ASP A 56 -10.587 -7.730 -8.215 1.00 0.00 C ATOM 822 OD1 ASP A 56 -11.282 -6.765 -7.829 1.00 0.00 O ATOM 823 OD2 ASP A 56 -10.664 -8.290 -9.330 1.00 0.00 O ATOM 0 H ASP A 56 -7.855 -7.953 -5.017 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.803 -7.192 -7.874 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.162 -9.218 -7.622 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.045 -8.501 -6.289 1.00 0.00 H new ATOM 828 N ALA A 57 -8.571 -4.947 -7.124 1.00 0.00 N ATOM 829 CA ALA A 57 -9.027 -3.621 -6.741 1.00 0.00 C ATOM 830 C ALA A 57 -9.119 -2.739 -7.987 1.00 0.00 C ATOM 831 O ALA A 57 -8.508 -3.038 -9.012 1.00 0.00 O ATOM 832 CB ALA A 57 -8.085 -3.042 -5.684 1.00 0.00 C ATOM 0 H ALA A 57 -7.972 -4.970 -7.949 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.022 -3.670 -6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.427 -2.048 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.079 -3.690 -4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.077 -2.975 -6.093 1.00 0.00 H new ATOM 838 N PRO A 58 -9.909 -1.638 -7.855 1.00 0.00 N ATOM 839 CA PRO A 58 -10.088 -0.709 -8.958 1.00 0.00 C ATOM 840 C PRO A 58 -8.846 0.162 -9.149 1.00 0.00 C ATOM 841 O PRO A 58 -7.816 -0.072 -8.518 1.00 0.00 O ATOM 842 CB PRO A 58 -11.328 0.093 -8.598 1.00 0.00 C ATOM 843 CG PRO A 58 -11.525 -0.093 -7.102 1.00 0.00 C ATOM 844 CD PRO A 58 -10.648 -1.251 -6.656 1.00 0.00 C ATOM 0 HA PRO A 58 -10.220 -1.213 -9.916 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.198 1.146 -8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.197 -0.261 -9.153 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.257 0.817 -6.566 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.572 -0.299 -6.878 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.973 -0.951 -5.854 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.247 -2.078 -6.276 1.00 0.00 H new ATOM 852 N VAL A 59 -8.983 1.149 -10.022 1.00 0.00 N ATOM 853 CA VAL A 59 -7.884 2.057 -10.304 1.00 0.00 C ATOM 854 C VAL A 59 -8.446 3.405 -10.762 1.00 0.00 C ATOM 855 O VAL A 59 -7.987 4.456 -10.319 1.00 0.00 O ATOM 856 CB VAL A 59 -6.933 1.428 -11.323 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.760 2.361 -11.629 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.437 0.063 -10.841 1.00 0.00 C ATOM 0 H VAL A 59 -9.839 1.340 -10.544 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.298 2.239 -9.403 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.488 1.275 -12.248 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.100 1.889 -12.356 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.138 3.299 -12.037 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.206 2.561 -10.712 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.763 -0.362 -11.584 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.907 0.181 -9.896 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.287 -0.604 -10.699 1.00 0.00 H new ATOM 868 N SER A 60 -9.431 3.328 -11.646 1.00 0.00 N ATOM 869 CA SER A 60 -10.061 4.528 -12.169 1.00 0.00 C ATOM 870 C SER A 60 -10.116 5.606 -11.085 1.00 0.00 C ATOM 871 O SER A 60 -9.424 6.620 -11.176 1.00 0.00 O ATOM 872 CB SER A 60 -11.466 4.230 -12.693 1.00 0.00 C ATOM 873 OG SER A 60 -12.242 3.494 -11.750 1.00 0.00 O ATOM 0 H SER A 60 -9.807 2.454 -12.013 1.00 0.00 H new ATOM 0 HA SER A 60 -9.462 4.892 -13.004 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.972 5.167 -12.927 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.394 3.666 -13.623 1.00 0.00 H new ATOM 0 HG SER A 60 -13.133 3.325 -12.121 1.00 0.00 H new ATOM 879 N GLU A 61 -10.945 5.351 -10.084 1.00 0.00 N ATOM 880 CA GLU A 61 -11.100 6.288 -8.983 1.00 0.00 C ATOM 881 C GLU A 61 -11.401 5.536 -7.685 1.00 0.00 C ATOM 882 O GLU A 61 -12.383 5.831 -7.006 1.00 0.00 O ATOM 883 CB GLU A 61 -12.192 7.315 -9.287 1.00 0.00 C ATOM 884 CG GLU A 61 -11.596 8.713 -9.465 1.00 0.00 C ATOM 885 CD GLU A 61 -12.609 9.665 -10.103 1.00 0.00 C ATOM 886 OE1 GLU A 61 -13.726 9.758 -9.549 1.00 0.00 O ATOM 887 OE2 GLU A 61 -12.246 10.277 -11.130 1.00 0.00 O ATOM 0 H GLU A 61 -11.517 4.509 -10.012 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.162 6.830 -8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.726 7.026 -10.192 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.921 7.327 -8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.284 9.105 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.704 8.655 -10.088 1.00 0.00 H new ATOM 894 N PHE A 62 -10.537 4.579 -7.380 1.00 0.00 N ATOM 895 CA PHE A 62 -10.697 3.782 -6.176 1.00 0.00 C ATOM 896 C PHE A 62 -10.743 4.672 -4.932 1.00 0.00 C ATOM 897 O PHE A 62 -10.805 5.896 -5.041 1.00 0.00 O ATOM 898 CB PHE A 62 -9.479 2.861 -6.083 1.00 0.00 C ATOM 899 CG PHE A 62 -8.166 3.521 -6.503 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.962 4.844 -6.264 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.200 2.785 -7.116 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.743 5.458 -6.654 1.00 0.00 C ATOM 903 CE2 PHE A 62 -5.980 3.398 -7.507 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.777 4.722 -7.267 1.00 0.00 C ATOM 0 H PHE A 62 -9.724 4.338 -7.946 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.630 3.220 -6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.383 2.505 -5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.650 1.985 -6.709 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.728 5.428 -5.777 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.361 1.734 -7.305 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.583 6.509 -6.464 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.214 2.814 -7.995 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.849 5.188 -7.563 1.00 0.00 H new ATOM 914 N ASP A 63 -10.711 4.022 -3.777 1.00 0.00 N ATOM 915 CA ASP A 63 -10.748 4.741 -2.514 1.00 0.00 C ATOM 916 C ASP A 63 -9.319 4.952 -2.011 1.00 0.00 C ATOM 917 O ASP A 63 -8.855 4.233 -1.127 1.00 0.00 O ATOM 918 CB ASP A 63 -11.510 3.945 -1.451 1.00 0.00 C ATOM 919 CG ASP A 63 -12.942 4.418 -1.195 1.00 0.00 C ATOM 920 OD1 ASP A 63 -13.095 5.614 -0.861 1.00 0.00 O ATOM 921 OD2 ASP A 63 -13.853 3.574 -1.337 1.00 0.00 O ATOM 0 H ASP A 63 -10.660 3.007 -3.689 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.250 5.694 -2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.537 2.898 -1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.954 3.993 -0.515 1.00 0.00 H new ATOM 926 N ARG A 64 -8.661 5.942 -2.595 1.00 0.00 N ATOM 927 CA ARG A 64 -7.294 6.259 -2.217 1.00 0.00 C ATOM 928 C ARG A 64 -7.139 6.211 -0.696 1.00 0.00 C ATOM 929 O ARG A 64 -6.051 5.948 -0.187 1.00 0.00 O ATOM 930 CB ARG A 64 -6.889 7.645 -2.722 1.00 0.00 C ATOM 931 CG ARG A 64 -7.986 8.673 -2.438 1.00 0.00 C ATOM 932 CD ARG A 64 -7.627 9.539 -1.229 1.00 0.00 C ATOM 933 NE ARG A 64 -6.834 10.711 -1.664 1.00 0.00 N ATOM 934 CZ ARG A 64 -7.302 11.682 -2.459 1.00 0.00 C ATOM 935 NH1 ARG A 64 -8.563 11.628 -2.911 1.00 0.00 N ATOM 936 NH2 ARG A 64 -6.511 12.707 -2.802 1.00 0.00 N ATOM 0 H ARG A 64 -9.049 6.536 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.643 5.515 -2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.962 7.955 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.693 7.603 -3.793 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.131 9.306 -3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.931 8.161 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.535 9.870 -0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.059 8.953 -0.507 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.870 10.784 -1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.166 10.848 -2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.920 12.367 -3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.552 12.748 -2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.868 13.446 -3.407 1.00 0.00 H new ATOM 950 N LYS A 65 -8.245 6.471 -0.013 1.00 0.00 N ATOM 951 CA LYS A 65 -8.246 6.462 1.441 1.00 0.00 C ATOM 952 C LYS A 65 -7.742 5.105 1.937 1.00 0.00 C ATOM 953 O LYS A 65 -7.024 5.033 2.934 1.00 0.00 O ATOM 954 CB LYS A 65 -9.628 6.838 1.977 1.00 0.00 C ATOM 955 CG LYS A 65 -9.822 6.319 3.404 1.00 0.00 C ATOM 956 CD LYS A 65 -9.155 7.247 4.421 1.00 0.00 C ATOM 957 CE LYS A 65 -9.952 8.542 4.587 1.00 0.00 C ATOM 958 NZ LYS A 65 -11.081 8.340 5.523 1.00 0.00 N ATOM 0 H LYS A 65 -9.146 6.689 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.563 7.218 1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.746 7.921 1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.399 6.424 1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.887 6.238 3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.402 5.317 3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.074 6.740 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.141 7.479 4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.300 9.332 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.329 8.870 3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.611 9.229 5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.712 7.601 5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.714 8.048 6.451 1.00 0.00 H new ATOM 972 N GLU A 66 -8.138 4.063 1.221 1.00 0.00 N ATOM 973 CA GLU A 66 -7.736 2.714 1.577 1.00 0.00 C ATOM 974 C GLU A 66 -6.317 2.433 1.075 1.00 0.00 C ATOM 975 O GLU A 66 -5.599 1.620 1.656 1.00 0.00 O ATOM 976 CB GLU A 66 -8.724 1.684 1.029 1.00 0.00 C ATOM 977 CG GLU A 66 -8.168 0.264 1.160 1.00 0.00 C ATOM 978 CD GLU A 66 -9.220 -0.775 0.767 1.00 0.00 C ATOM 979 OE1 GLU A 66 -9.723 -0.670 -0.372 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.496 -1.651 1.615 1.00 0.00 O ATOM 0 H GLU A 66 -8.734 4.126 0.395 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.740 2.630 2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.669 1.759 1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.936 1.900 -0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.288 0.154 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.845 0.089 2.186 1.00 0.00 H new ATOM 987 N TRP A 67 -5.956 3.121 0.002 1.00 0.00 N ATOM 988 CA TRP A 67 -4.638 2.956 -0.584 1.00 0.00 C ATOM 989 C TRP A 67 -3.772 4.136 -0.139 1.00 0.00 C ATOM 990 O TRP A 67 -2.773 4.455 -0.783 1.00 0.00 O ATOM 991 CB TRP A 67 -4.727 2.819 -2.106 1.00 0.00 C ATOM 992 CG TRP A 67 -5.879 1.934 -2.584 1.00 0.00 C ATOM 993 CD1 TRP A 67 -7.121 2.309 -2.924 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.848 0.503 -2.763 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.888 1.229 -3.308 1.00 0.00 N ATOM 996 CE2 TRP A 67 -7.090 0.095 -3.207 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.805 -0.417 -2.556 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.404 -1.241 -3.481 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -5.136 -1.748 -2.836 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -6.381 -2.175 -3.283 1.00 0.00 C ATOM 0 H TRP A 67 -6.554 3.794 -0.477 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.174 2.033 -0.236 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.838 3.811 -2.544 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.788 2.409 -2.479 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.476 3.329 -2.900 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.862 1.257 -3.610 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.826 -0.120 -2.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -8.384 -1.535 -3.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -4.370 -2.496 -2.695 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.558 -3.223 -3.477 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.186 4.753 0.957 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.461 5.891 1.495 1.00 0.00 C ATOM 1013 C ASP A 68 -2.533 5.416 2.617 1.00 0.00 C ATOM 1014 O ASP A 68 -1.420 5.920 2.761 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.420 6.929 2.082 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.839 7.779 3.214 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.873 8.520 2.928 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.374 7.669 4.338 1.00 0.00 O ATOM 0 H ASP A 68 -5.015 4.486 1.488 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.894 6.344 0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.748 7.592 1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.306 6.414 2.453 1.00 0.00 H new ATOM 1023 N THR A 69 -3.027 4.453 3.380 1.00 0.00 N ATOM 1024 CA THR A 69 -2.258 3.905 4.484 1.00 0.00 C ATOM 1025 C THR A 69 -1.846 2.463 4.182 1.00 0.00 C ATOM 1026 O THR A 69 -2.443 1.809 3.329 1.00 0.00 O ATOM 1027 CB THR A 69 -3.092 4.044 5.758 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.432 3.835 5.321 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.097 5.475 6.302 1.00 0.00 C ATOM 0 H THR A 69 -3.950 4.038 3.256 1.00 0.00 H new ATOM 0 HA THR A 69 -1.327 4.453 4.627 1.00 0.00 H new ATOM 0 HB THR A 69 -2.705 3.367 6.520 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.835 4.695 5.080 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.703 5.518 7.207 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.077 5.779 6.534 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.515 6.148 5.553 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.800 1.997 4.917 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.302 0.644 4.737 1.00 0.00 C ATOM 1039 C PRO A 70 -1.247 -0.378 5.371 1.00 0.00 C ATOM 1040 O PRO A 70 -1.392 -1.491 4.867 1.00 0.00 O ATOM 1041 CB PRO A 70 1.080 0.647 5.370 1.00 0.00 C ATOM 1042 CG PRO A 70 1.116 1.859 6.287 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.069 2.743 5.937 1.00 0.00 C ATOM 0 HA PRO A 70 -0.246 0.353 3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.255 -0.272 5.930 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.858 0.710 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.066 1.549 7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.051 2.406 6.161 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.692 2.934 6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.258 3.712 5.561 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.868 0.036 6.465 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.796 -0.829 7.173 1.00 0.00 C ATOM 1053 C ASN A 71 -4.028 -1.071 6.298 1.00 0.00 C ATOM 1054 O ASN A 71 -4.450 -2.213 6.117 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.263 -0.184 8.480 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.891 -1.054 9.683 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.995 -2.269 9.658 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.457 -0.365 10.733 1.00 0.00 N ATOM 0 H ASN A 71 -1.747 0.960 6.879 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.283 -1.764 7.396 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.810 0.802 8.586 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.343 -0.038 8.452 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.186 -0.853 11.587 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.395 0.652 10.685 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.571 0.021 5.780 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.745 -0.059 4.929 1.00 0.00 C ATOM 1067 C LYS A 72 -5.430 -0.930 3.712 1.00 0.00 C ATOM 1068 O LYS A 72 -6.314 -1.600 3.177 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.243 1.343 4.570 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.387 1.772 5.491 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.323 3.272 5.782 1.00 0.00 C ATOM 1072 CE LYS A 72 -8.726 3.884 5.817 1.00 0.00 C ATOM 1073 NZ LYS A 72 -9.588 3.149 6.769 1.00 0.00 N ATOM 0 H LYS A 72 -4.219 0.966 5.934 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.568 -0.538 5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.422 2.055 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.581 1.358 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.343 1.528 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.335 1.214 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.825 3.440 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.724 3.769 5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.665 4.933 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.167 3.855 4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.430 3.720 6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.882 2.246 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.059 2.964 7.645 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.169 -0.894 3.309 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.727 -1.672 2.165 1.00 0.00 C ATOM 1089 C ILE A 73 -3.463 -3.113 2.605 1.00 0.00 C ATOM 1090 O ILE A 73 -4.036 -4.051 2.050 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.524 -1.004 1.495 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.932 0.303 0.812 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.831 -1.965 0.527 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.720 0.997 0.188 1.00 0.00 C ATOM 0 H ILE A 73 -3.439 -0.338 3.754 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.507 -1.708 1.405 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.800 -0.750 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.675 0.098 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.401 0.966 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.980 -1.465 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.484 -2.843 1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.535 -2.273 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.038 1.923 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.990 1.222 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.268 0.341 -0.556 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.595 -3.247 3.597 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.250 -4.558 4.117 1.00 0.00 C ATOM 1108 C ILE A 74 -3.529 -5.362 4.355 1.00 0.00 C ATOM 1109 O ILE A 74 -3.505 -6.592 4.342 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.368 -4.425 5.361 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.115 -4.409 4.982 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.686 -5.521 6.379 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.976 -3.940 6.157 1.00 0.00 C ATOM 0 H ILE A 74 -2.120 -2.468 4.054 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.656 -5.111 3.389 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.590 -3.470 5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.426 -5.407 4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.269 -3.750 4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.045 -5.403 7.253 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.730 -5.444 6.682 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.509 -6.498 5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.025 -3.938 5.861 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.679 -2.932 6.447 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.838 -4.616 7.001 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.617 -4.635 4.566 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.903 -5.265 4.806 1.00 0.00 C ATOM 1127 C ALA A 75 -6.479 -5.760 3.477 1.00 0.00 C ATOM 1128 O ALA A 75 -7.026 -6.860 3.405 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.833 -4.275 5.510 1.00 0.00 C ATOM 0 H ALA A 75 -4.633 -3.615 4.576 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.791 -6.130 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.798 -4.748 5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.393 -3.975 6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.971 -3.396 4.881 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.336 -4.925 2.459 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.835 -5.265 1.136 1.00 0.00 C ATOM 1137 C LYS A 76 -6.061 -6.469 0.598 1.00 0.00 C ATOM 1138 O LYS A 76 -6.584 -7.239 -0.206 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.789 -4.043 0.217 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.740 -4.214 -0.970 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.198 -4.085 -0.527 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.069 -3.537 -1.659 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.380 -4.223 -1.684 1.00 0.00 N ATOM 0 H LYS A 76 -5.882 -4.014 2.523 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.884 -5.557 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.061 -3.150 0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.772 -3.894 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.519 -3.463 -1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.581 -5.189 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.574 -5.059 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.262 -3.425 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.216 -2.465 -1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.562 -3.674 -2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.958 -3.839 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.236 -5.242 -1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.869 -4.071 -0.779 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.827 -6.596 1.063 1.00 0.00 N ATOM 1158 CA VAL A 77 -3.976 -7.694 0.638 1.00 0.00 C ATOM 1159 C VAL A 77 -4.367 -8.961 1.402 1.00 0.00 C ATOM 1160 O VAL A 77 -4.321 -10.060 0.851 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.504 -7.316 0.821 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.585 -8.392 0.237 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.209 -5.948 0.202 1.00 0.00 C ATOM 0 H VAL A 77 -4.396 -5.956 1.730 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.116 -7.898 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.305 -7.250 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.545 -8.099 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.768 -9.340 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.787 -8.504 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.157 -5.703 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.433 -5.975 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.827 -5.190 0.683 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.742 -8.766 2.657 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.141 -9.879 3.501 1.00 0.00 C ATOM 1175 C GLU A 78 -6.579 -10.296 3.185 1.00 0.00 C ATOM 1176 O GLU A 78 -6.959 -11.444 3.408 1.00 0.00 O ATOM 1177 CB GLU A 78 -4.984 -9.529 4.982 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.508 -9.512 5.388 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.050 -10.898 5.845 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.020 -11.799 4.979 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.739 -11.024 7.048 1.00 0.00 O ATOM 0 H GLU A 78 -4.778 -7.853 3.110 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.484 -10.723 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.430 -8.554 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.524 -10.255 5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.899 -9.183 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.356 -8.791 6.192 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.338 -9.340 2.671 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.726 -9.594 2.323 1.00 0.00 C ATOM 1190 C GLN A 79 -8.834 -10.046 0.866 1.00 0.00 C ATOM 1191 O GLN A 79 -9.899 -9.947 0.258 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.590 -8.357 2.578 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.317 -8.464 3.920 1.00 0.00 C ATOM 1194 CD GLN A 79 -11.167 -7.218 4.184 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -12.371 -7.205 3.993 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -10.473 -6.176 4.634 1.00 0.00 N ATOM 0 H GLN A 79 -7.019 -8.389 2.487 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.099 -10.396 2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.965 -7.464 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.317 -8.245 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.952 -9.350 3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.590 -8.590 4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.465 -6.255 4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.948 -5.298 4.841 1.00 0.00 H new ATOM 1205 N ALA A 80 -7.716 -10.534 0.347 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.672 -11.002 -1.028 1.00 0.00 C ATOM 1207 C ALA A 80 -7.278 -12.480 -1.046 1.00 0.00 C ATOM 1208 O ALA A 80 -7.852 -13.271 -1.795 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.705 -10.131 -1.832 1.00 0.00 C ATOM 0 H ALA A 80 -6.835 -10.615 0.854 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.653 -10.917 -1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.671 -10.481 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.045 -9.096 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.709 -10.194 -1.395 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.301 -12.810 -0.214 1.00 0.00 N ATOM 1216 CA GLN A 81 -5.823 -14.179 -0.125 1.00 0.00 C ATOM 1217 C GLN A 81 -7.004 -15.149 -0.045 1.00 0.00 C ATOM 1218 O GLN A 81 -6.973 -16.222 -0.645 1.00 0.00 O ATOM 1219 CB GLN A 81 -4.886 -14.356 1.071 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.618 -13.517 0.903 1.00 0.00 C ATOM 1221 CD GLN A 81 -2.962 -13.779 -0.454 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.248 -14.747 -0.651 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.245 -12.864 -1.377 1.00 0.00 N ATOM 0 H GLN A 81 -5.827 -12.152 0.405 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.253 -14.404 -1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.400 -14.065 1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.619 -15.408 1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.863 -12.459 0.994 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.915 -13.751 1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.851 -12.077 -1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.856 -12.950 -2.316 1.00 0.00 H new TER 1232 GLN A 81