USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 75 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 77 GLN : amide:sc= -0.135 K(o=-0.14,f=-2!) USER MOD Set 2.1: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 42 MET CE :methyl -154:sc= 0 (180deg=0) USER MOD Set 3.1: A 12 ASN : amide:sc= -0.0222 X(o=-0.022,f=-0.19) USER MOD Set 3.2: A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0949) USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.00272) USER MOD Single : A 2 SER OG : rot 180:sc= -0.336 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 106:sc= -0.202 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -114:sc= -1.39 (180deg=-5.99!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0331 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -5.66! C(o=-5.7!,f=-5.7!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.21 K(o=-2.2,f=-7.1!) USER MOD Single : A 50 THR OG1 : rot -100:sc= -0.747 USER MOD Single : A 52 GLN : amide:sc= -0.312 X(o=-0.31,f=0) USER MOD Single : A 53 SER OG : rot 130:sc= -0.708 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.639 K(o=-0.64,f=-2.2!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 53:sc= 0.874 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.309 -14.728 4.899 1.00 0.00 N ATOM 2 CA GLY A 1 -3.439 -13.722 5.484 1.00 0.00 C ATOM 3 C GLY A 1 -2.093 -13.671 4.758 1.00 0.00 C ATOM 4 O GLY A 1 -1.040 -13.725 5.390 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.202 -14.766 5.430 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.506 -14.483 3.908 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.842 -15.657 4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.921 -12.746 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.279 -13.944 6.539 1.00 0.00 H new ATOM 8 N SER A 2 -2.173 -13.567 3.439 1.00 0.00 N ATOM 9 CA SER A 2 -0.974 -13.508 2.619 1.00 0.00 C ATOM 10 C SER A 2 -1.340 -13.688 1.145 1.00 0.00 C ATOM 11 O SER A 2 -1.873 -14.726 0.756 1.00 0.00 O ATOM 12 CB SER A 2 0.039 -14.570 3.050 1.00 0.00 C ATOM 13 OG SER A 2 -0.597 -15.749 3.538 1.00 0.00 O ATOM 0 H SER A 2 -3.049 -13.522 2.918 1.00 0.00 H new ATOM 0 HA SER A 2 -0.513 -12.530 2.754 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.677 -14.826 2.204 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.686 -14.160 3.825 1.00 0.00 H new ATOM 0 HG SER A 2 0.084 -16.403 3.801 1.00 0.00 H new ATOM 19 N ALA A 3 -1.037 -12.661 0.364 1.00 0.00 N ATOM 20 CA ALA A 3 -1.327 -12.693 -1.059 1.00 0.00 C ATOM 21 C ALA A 3 -0.196 -12.001 -1.822 1.00 0.00 C ATOM 22 O ALA A 3 -0.379 -10.906 -2.352 1.00 0.00 O ATOM 23 CB ALA A 3 -2.688 -12.042 -1.319 1.00 0.00 C ATOM 0 H ALA A 3 -0.594 -11.802 0.690 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.384 -13.722 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.905 -12.066 -2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.462 -12.588 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.668 -11.007 -0.976 1.00 0.00 H new ATOM 29 N GLY A 4 0.949 -12.667 -1.851 1.00 0.00 N ATOM 30 CA GLY A 4 2.111 -12.129 -2.539 1.00 0.00 C ATOM 31 C GLY A 4 2.469 -10.741 -2.007 1.00 0.00 C ATOM 32 O GLY A 4 1.822 -10.238 -1.090 1.00 0.00 O ATOM 0 H GLY A 4 1.097 -13.574 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.959 -12.802 -2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.910 -12.072 -3.609 1.00 0.00 H new ATOM 36 N LYS A 5 3.499 -10.160 -2.605 1.00 0.00 N ATOM 37 CA LYS A 5 3.951 -8.840 -2.202 1.00 0.00 C ATOM 38 C LYS A 5 3.417 -7.799 -3.189 1.00 0.00 C ATOM 39 O LYS A 5 3.595 -7.937 -4.399 1.00 0.00 O ATOM 40 CB LYS A 5 5.473 -8.818 -2.050 1.00 0.00 C ATOM 41 CG LYS A 5 6.155 -9.441 -3.270 1.00 0.00 C ATOM 42 CD LYS A 5 7.408 -8.654 -3.659 1.00 0.00 C ATOM 43 CE LYS A 5 7.050 -7.454 -4.538 1.00 0.00 C ATOM 44 NZ LYS A 5 7.399 -7.724 -5.951 1.00 0.00 N ATOM 0 H LYS A 5 4.033 -10.580 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 5 3.552 -8.584 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.815 -7.791 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.760 -9.363 -1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.423 -10.475 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.459 -9.462 -4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.920 -8.311 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.101 -9.306 -4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.984 -7.240 -4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.581 -6.569 -4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.150 -6.900 -6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.420 -7.906 -6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.873 -8.556 -6.286 1.00 0.00 H new ATOM 58 N PHE A 6 2.773 -6.783 -2.637 1.00 0.00 N ATOM 59 CA PHE A 6 2.212 -5.719 -3.453 1.00 0.00 C ATOM 60 C PHE A 6 3.089 -4.467 -3.402 1.00 0.00 C ATOM 61 O PHE A 6 3.940 -4.337 -2.523 1.00 0.00 O ATOM 62 CB PHE A 6 0.835 -5.388 -2.872 1.00 0.00 C ATOM 63 CG PHE A 6 -0.167 -6.543 -2.949 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.176 -7.699 -3.577 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.399 -6.411 -2.389 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.754 -8.769 -3.648 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.328 -7.482 -2.460 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.987 -8.639 -3.089 1.00 0.00 C ATOM 0 H PHE A 6 2.626 -6.673 -1.634 1.00 0.00 H new ATOM 0 HA PHE A 6 2.148 -6.042 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.953 -5.092 -1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.425 -4.529 -3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.155 -7.803 -4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.671 -5.492 -1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.482 -9.688 -4.147 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.306 -7.378 -2.014 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.694 -9.453 -3.144 1.00 0.00 H new ATOM 78 N ILE A 7 2.850 -3.577 -4.354 1.00 0.00 N ATOM 79 CA ILE A 7 3.608 -2.339 -4.427 1.00 0.00 C ATOM 80 C ILE A 7 2.671 -1.195 -4.819 1.00 0.00 C ATOM 81 O ILE A 7 2.424 -0.968 -6.003 1.00 0.00 O ATOM 82 CB ILE A 7 4.807 -2.500 -5.365 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.417 -3.274 -6.626 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.988 -3.146 -4.638 1.00 0.00 C ATOM 85 CD1 ILE A 7 5.599 -3.378 -7.592 1.00 0.00 C ATOM 0 H ILE A 7 2.143 -3.688 -5.081 1.00 0.00 H new ATOM 0 HA ILE A 7 4.026 -2.090 -3.452 1.00 0.00 H new ATOM 0 HB ILE A 7 5.128 -1.508 -5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.076 -4.273 -6.353 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.582 -2.776 -7.119 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.827 -3.249 -5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.284 -2.520 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.696 -4.130 -4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.296 -3.933 -8.480 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.921 -2.378 -7.881 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.423 -3.898 -7.104 1.00 0.00 H new ATOM 97 N VAL A 8 2.175 -0.505 -3.803 1.00 0.00 N ATOM 98 CA VAL A 8 1.270 0.610 -4.027 1.00 0.00 C ATOM 99 C VAL A 8 2.053 1.922 -3.940 1.00 0.00 C ATOM 100 O VAL A 8 3.120 1.972 -3.330 1.00 0.00 O ATOM 101 CB VAL A 8 0.104 0.544 -3.038 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.555 -0.837 -3.060 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.562 0.910 -1.625 1.00 0.00 C ATOM 0 H VAL A 8 2.382 -0.696 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 8 0.836 0.555 -5.025 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.641 1.276 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.380 -0.858 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.934 -1.044 -4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.179 -1.595 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.286 0.855 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.335 0.213 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.964 1.923 -1.624 1.00 0.00 H new ATOM 113 N ILE A 9 1.492 2.950 -4.559 1.00 0.00 N ATOM 114 CA ILE A 9 2.125 4.258 -4.560 1.00 0.00 C ATOM 115 C ILE A 9 1.097 5.317 -4.155 1.00 0.00 C ATOM 116 O ILE A 9 -0.100 5.041 -4.112 1.00 0.00 O ATOM 117 CB ILE A 9 2.788 4.532 -5.911 1.00 0.00 C ATOM 118 CG1 ILE A 9 2.822 3.267 -6.772 1.00 0.00 C ATOM 119 CG2 ILE A 9 4.183 5.135 -5.725 1.00 0.00 C ATOM 120 CD1 ILE A 9 3.751 2.214 -6.165 1.00 0.00 C ATOM 0 H ILE A 9 0.606 2.904 -5.063 1.00 0.00 H new ATOM 0 HA ILE A 9 2.928 4.293 -3.824 1.00 0.00 H new ATOM 0 HB ILE A 9 2.186 5.269 -6.443 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.816 2.859 -6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.158 3.517 -7.778 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.632 5.320 -6.701 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.103 6.074 -5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.808 4.440 -5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.756 1.326 -6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.762 2.617 -6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.398 1.948 -5.169 1.00 0.00 H new ATOM 132 N PHE A 10 1.603 6.507 -3.867 1.00 0.00 N ATOM 133 CA PHE A 10 0.744 7.609 -3.467 1.00 0.00 C ATOM 134 C PHE A 10 1.044 8.865 -4.289 1.00 0.00 C ATOM 135 O PHE A 10 2.204 9.161 -4.575 1.00 0.00 O ATOM 136 CB PHE A 10 1.041 7.894 -1.993 1.00 0.00 C ATOM 137 CG PHE A 10 1.109 6.641 -1.119 1.00 0.00 C ATOM 138 CD1 PHE A 10 0.155 5.678 -1.233 1.00 0.00 C ATOM 139 CD2 PHE A 10 2.124 6.489 -0.226 1.00 0.00 C ATOM 140 CE1 PHE A 10 0.219 4.515 -0.421 1.00 0.00 C ATOM 141 CE2 PHE A 10 2.188 5.326 0.586 1.00 0.00 C ATOM 142 CZ PHE A 10 1.235 4.364 0.471 1.00 0.00 C ATOM 0 H PHE A 10 2.597 6.732 -3.903 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.301 7.344 -3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.989 8.427 -1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.271 8.558 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.651 5.798 -1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.881 7.253 -0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.539 3.751 -0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.994 5.206 1.295 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.284 3.479 1.088 1.00 0.00 H new ATOM 152 N LYS A 11 -0.020 9.569 -4.644 1.00 0.00 N ATOM 153 CA LYS A 11 0.114 10.786 -5.425 1.00 0.00 C ATOM 154 C LYS A 11 1.151 11.699 -4.766 1.00 0.00 C ATOM 155 O LYS A 11 1.724 11.350 -3.735 1.00 0.00 O ATOM 156 CB LYS A 11 -1.250 11.448 -5.626 1.00 0.00 C ATOM 157 CG LYS A 11 -1.918 11.744 -4.282 1.00 0.00 C ATOM 158 CD LYS A 11 -3.379 12.155 -4.474 1.00 0.00 C ATOM 159 CE LYS A 11 -3.486 13.416 -5.333 1.00 0.00 C ATOM 160 NZ LYS A 11 -4.864 13.579 -5.847 1.00 0.00 N ATOM 0 H LYS A 11 -0.980 9.319 -4.405 1.00 0.00 H new ATOM 0 HA LYS A 11 0.481 10.557 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.130 12.374 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.891 10.796 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.866 10.862 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.377 12.540 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.930 11.342 -4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.841 12.332 -3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.206 14.289 -4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.786 13.356 -6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.918 14.440 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.118 12.754 -6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.525 13.658 -5.048 1.00 0.00 H new ATOM 174 N ASN A 12 1.359 12.850 -5.388 1.00 0.00 N ATOM 175 CA ASN A 12 2.316 13.815 -4.873 1.00 0.00 C ATOM 176 C ASN A 12 1.581 14.847 -4.015 1.00 0.00 C ATOM 177 O ASN A 12 1.939 16.023 -4.009 1.00 0.00 O ATOM 178 CB ASN A 12 3.013 14.560 -6.014 1.00 0.00 C ATOM 179 CG ASN A 12 4.522 14.639 -5.775 1.00 0.00 C ATOM 180 OD1 ASN A 12 5.195 13.645 -5.559 1.00 0.00 O ATOM 181 ND2 ASN A 12 5.013 15.874 -5.827 1.00 0.00 N ATOM 0 H ASN A 12 0.882 13.136 -6.243 1.00 0.00 H new ATOM 0 HA ASN A 12 3.059 13.274 -4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.817 14.052 -6.958 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.602 15.566 -6.101 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.010 16.033 -5.681 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.393 16.662 -6.012 1.00 0.00 H new ATOM 188 N ASP A 13 0.568 14.367 -3.309 1.00 0.00 N ATOM 189 CA ASP A 13 -0.220 15.233 -2.447 1.00 0.00 C ATOM 190 C ASP A 13 -0.216 14.670 -1.025 1.00 0.00 C ATOM 191 O ASP A 13 -0.063 15.417 -0.059 1.00 0.00 O ATOM 192 CB ASP A 13 -1.673 15.308 -2.922 1.00 0.00 C ATOM 193 CG ASP A 13 -1.909 16.198 -4.144 1.00 0.00 C ATOM 194 OD1 ASP A 13 -1.079 16.115 -5.074 1.00 0.00 O ATOM 195 OD2 ASP A 13 -2.914 16.940 -4.120 1.00 0.00 O ATOM 0 H ASP A 13 0.274 13.390 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 13 0.221 16.229 -2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.016 14.300 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.290 15.673 -2.101 1.00 0.00 H new ATOM 200 N VAL A 14 -0.386 13.359 -0.941 1.00 0.00 N ATOM 201 CA VAL A 14 -0.403 12.688 0.348 1.00 0.00 C ATOM 202 C VAL A 14 0.670 13.299 1.251 1.00 0.00 C ATOM 203 O VAL A 14 1.672 13.820 0.765 1.00 0.00 O ATOM 204 CB VAL A 14 -0.233 11.179 0.155 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.709 10.879 -1.013 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.258 10.514 1.442 1.00 0.00 C ATOM 0 H VAL A 14 -0.513 12.743 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.364 12.833 0.841 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.209 10.759 -0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.813 9.800 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.300 11.305 -1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.687 11.318 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.370 9.442 1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.220 10.940 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.466 10.685 2.239 1.00 0.00 H new ATOM 216 N SER A 15 0.422 13.215 2.550 1.00 0.00 N ATOM 217 CA SER A 15 1.355 13.754 3.526 1.00 0.00 C ATOM 218 C SER A 15 2.362 12.678 3.936 1.00 0.00 C ATOM 219 O SER A 15 2.236 11.521 3.539 1.00 0.00 O ATOM 220 CB SER A 15 0.618 14.288 4.756 1.00 0.00 C ATOM 221 OG SER A 15 0.360 13.263 5.711 1.00 0.00 O ATOM 0 H SER A 15 -0.411 12.782 2.949 1.00 0.00 H new ATOM 0 HA SER A 15 1.889 14.586 3.066 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.212 15.075 5.221 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.324 14.740 4.446 1.00 0.00 H new ATOM 0 HG SER A 15 0.966 13.367 6.474 1.00 0.00 H new ATOM 227 N GLU A 16 3.338 13.098 4.728 1.00 0.00 N ATOM 228 CA GLU A 16 4.366 12.184 5.197 1.00 0.00 C ATOM 229 C GLU A 16 3.812 11.284 6.303 1.00 0.00 C ATOM 230 O GLU A 16 4.055 10.078 6.308 1.00 0.00 O ATOM 231 CB GLU A 16 5.601 12.949 5.680 1.00 0.00 C ATOM 232 CG GLU A 16 5.297 13.727 6.962 1.00 0.00 C ATOM 233 CD GLU A 16 6.346 14.814 7.204 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.708 15.486 6.213 1.00 0.00 O ATOM 235 OE2 GLU A 16 6.762 14.950 8.375 1.00 0.00 O ATOM 0 H GLU A 16 3.439 14.058 5.057 1.00 0.00 H new ATOM 0 HA GLU A 16 4.673 11.554 4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.419 12.251 5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.934 13.637 4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.308 14.180 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.274 13.043 7.810 1.00 0.00 H new ATOM 242 N ASP A 17 3.078 11.905 7.215 1.00 0.00 N ATOM 243 CA ASP A 17 2.487 11.175 8.324 1.00 0.00 C ATOM 244 C ASP A 17 1.516 10.125 7.778 1.00 0.00 C ATOM 245 O ASP A 17 1.463 9.004 8.282 1.00 0.00 O ATOM 246 CB ASP A 17 1.702 12.112 9.243 1.00 0.00 C ATOM 247 CG ASP A 17 2.406 12.471 10.554 1.00 0.00 C ATOM 248 OD1 ASP A 17 3.013 11.551 11.143 1.00 0.00 O ATOM 249 OD2 ASP A 17 2.321 13.658 10.937 1.00 0.00 O ATOM 0 H ASP A 17 2.879 12.905 7.209 1.00 0.00 H new ATOM 0 HA ASP A 17 3.294 10.708 8.889 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.486 13.032 8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.744 11.648 9.478 1.00 0.00 H new ATOM 254 N LYS A 18 0.774 10.527 6.757 1.00 0.00 N ATOM 255 CA LYS A 18 -0.191 9.634 6.138 1.00 0.00 C ATOM 256 C LYS A 18 0.536 8.408 5.583 1.00 0.00 C ATOM 257 O LYS A 18 0.098 7.277 5.787 1.00 0.00 O ATOM 258 CB LYS A 18 -1.020 10.383 5.093 1.00 0.00 C ATOM 259 CG LYS A 18 -2.461 10.577 5.571 1.00 0.00 C ATOM 260 CD LYS A 18 -3.046 11.885 5.033 1.00 0.00 C ATOM 261 CE LYS A 18 -3.663 11.680 3.649 1.00 0.00 C ATOM 262 NZ LYS A 18 -4.557 12.809 3.308 1.00 0.00 N ATOM 0 H LYS A 18 0.821 11.458 6.343 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.905 9.273 6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.566 11.353 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.016 9.828 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.073 9.738 5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.489 10.583 6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.804 12.259 5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.264 12.642 4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.874 11.594 2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.224 10.745 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.968 12.654 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.320 12.872 4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.012 13.695 3.307 1.00 0.00 H new ATOM 276 N ILE A 19 1.634 8.675 4.892 1.00 0.00 N ATOM 277 CA ILE A 19 2.426 7.607 4.305 1.00 0.00 C ATOM 278 C ILE A 19 2.790 6.592 5.391 1.00 0.00 C ATOM 279 O ILE A 19 2.447 5.415 5.285 1.00 0.00 O ATOM 280 CB ILE A 19 3.639 8.182 3.571 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.558 7.895 2.070 1.00 0.00 C ATOM 282 CG2 ILE A 19 4.945 7.669 4.182 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.405 8.890 1.274 1.00 0.00 C ATOM 0 H ILE A 19 1.994 9.615 4.725 1.00 0.00 H new ATOM 0 HA ILE A 19 1.848 7.074 3.550 1.00 0.00 H new ATOM 0 HB ILE A 19 3.630 9.265 3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.901 6.880 1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.520 7.951 1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.791 8.093 3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.998 7.966 5.229 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.977 6.582 4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.329 8.663 0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.044 9.902 1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.446 8.814 1.588 1.00 0.00 H new ATOM 295 N ARG A 20 3.478 7.084 6.410 1.00 0.00 N ATOM 296 CA ARG A 20 3.891 6.235 7.515 1.00 0.00 C ATOM 297 C ARG A 20 2.675 5.548 8.139 1.00 0.00 C ATOM 298 O ARG A 20 2.779 4.431 8.644 1.00 0.00 O ATOM 299 CB ARG A 20 4.620 7.043 8.589 1.00 0.00 C ATOM 300 CG ARG A 20 6.032 7.415 8.132 1.00 0.00 C ATOM 301 CD ARG A 20 6.444 8.783 8.681 1.00 0.00 C ATOM 302 NE ARG A 20 7.918 8.908 8.674 1.00 0.00 N ATOM 303 CZ ARG A 20 8.574 10.070 8.794 1.00 0.00 C ATOM 304 NH1 ARG A 20 7.889 11.214 8.933 1.00 0.00 N ATOM 305 NH2 ARG A 20 9.914 10.089 8.777 1.00 0.00 N ATOM 0 H ARG A 20 3.760 8.061 6.494 1.00 0.00 H new ATOM 0 HA ARG A 20 4.573 5.483 7.118 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.056 7.949 8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.673 6.464 9.511 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.739 6.656 8.469 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.074 7.429 7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.001 9.575 8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.065 8.906 9.696 1.00 0.00 H new ATOM 0 HE ARG A 20 8.469 8.056 8.571 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.869 11.199 8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.388 12.099 9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.435 9.218 8.673 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.413 10.974 8.868 1.00 0.00 H new ATOM 319 N GLU A 21 1.549 6.245 8.086 1.00 0.00 N ATOM 320 CA GLU A 21 0.315 5.716 8.641 1.00 0.00 C ATOM 321 C GLU A 21 -0.149 4.499 7.838 1.00 0.00 C ATOM 322 O GLU A 21 -0.149 3.379 8.347 1.00 0.00 O ATOM 323 CB GLU A 21 -0.772 6.792 8.683 1.00 0.00 C ATOM 324 CG GLU A 21 -0.578 7.721 9.883 1.00 0.00 C ATOM 325 CD GLU A 21 -1.825 7.741 10.768 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.065 6.709 11.433 1.00 0.00 O ATOM 327 OE2 GLU A 21 -2.509 8.787 10.762 1.00 0.00 O ATOM 0 H GLU A 21 1.466 7.171 7.667 1.00 0.00 H new ATOM 0 HA GLU A 21 0.507 5.399 9.666 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.749 7.373 7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.753 6.321 8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.281 7.392 10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.359 8.730 9.534 1.00 0.00 H new ATOM 334 N THR A 22 -0.534 4.760 6.598 1.00 0.00 N ATOM 335 CA THR A 22 -0.999 3.699 5.720 1.00 0.00 C ATOM 336 C THR A 22 -0.147 2.442 5.903 1.00 0.00 C ATOM 337 O THR A 22 -0.661 1.326 5.857 1.00 0.00 O ATOM 338 CB THR A 22 -0.993 4.235 4.287 1.00 0.00 C ATOM 339 OG1 THR A 22 -2.126 5.097 4.234 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.302 3.149 3.255 1.00 0.00 C ATOM 0 H THR A 22 -0.534 5.690 6.180 1.00 0.00 H new ATOM 0 HA THR A 22 -2.018 3.400 5.966 1.00 0.00 H new ATOM 0 HB THR A 22 -0.021 4.677 4.069 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.197 5.490 3.339 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.285 3.582 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.553 2.360 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.289 2.730 3.452 1.00 0.00 H new ATOM 348 N LYS A 23 1.143 2.666 6.106 1.00 0.00 N ATOM 349 CA LYS A 23 2.073 1.566 6.297 1.00 0.00 C ATOM 350 C LYS A 23 1.759 0.861 7.618 1.00 0.00 C ATOM 351 O LYS A 23 1.515 -0.344 7.640 1.00 0.00 O ATOM 352 CB LYS A 23 3.518 2.060 6.191 1.00 0.00 C ATOM 353 CG LYS A 23 4.165 1.584 4.890 1.00 0.00 C ATOM 354 CD LYS A 23 3.886 2.563 3.747 1.00 0.00 C ATOM 355 CE LYS A 23 4.945 3.667 3.701 1.00 0.00 C ATOM 356 NZ LYS A 23 5.012 4.263 2.347 1.00 0.00 N ATOM 0 H LYS A 23 1.566 3.593 6.142 1.00 0.00 H new ATOM 0 HA LYS A 23 1.955 0.826 5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.538 3.149 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.094 1.697 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.241 1.482 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.782 0.597 4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.873 2.026 2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.899 3.006 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.707 4.438 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.918 3.258 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.934 4.046 1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.253 3.868 1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.896 5.294 2.415 1.00 0.00 H new ATOM 370 N ASP A 24 1.776 1.644 8.688 1.00 0.00 N ATOM 371 CA ASP A 24 1.497 1.111 10.010 1.00 0.00 C ATOM 372 C ASP A 24 0.082 0.525 10.031 1.00 0.00 C ATOM 373 O ASP A 24 -0.152 -0.521 10.633 1.00 0.00 O ATOM 374 CB ASP A 24 1.570 2.207 11.074 1.00 0.00 C ATOM 375 CG ASP A 24 2.874 2.247 11.871 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.530 1.186 11.940 1.00 0.00 O ATOM 377 OD2 ASP A 24 3.187 3.338 12.396 1.00 0.00 O ATOM 0 H ASP A 24 1.979 2.643 8.665 1.00 0.00 H new ATOM 0 HA ASP A 24 2.243 0.347 10.229 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.428 3.173 10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.741 2.074 11.769 1.00 0.00 H new ATOM 382 N GLU A 25 -0.823 1.227 9.364 1.00 0.00 N ATOM 383 CA GLU A 25 -2.207 0.791 9.299 1.00 0.00 C ATOM 384 C GLU A 25 -2.286 -0.653 8.797 1.00 0.00 C ATOM 385 O GLU A 25 -3.080 -1.446 9.301 1.00 0.00 O ATOM 386 CB GLU A 25 -3.035 1.724 8.413 1.00 0.00 C ATOM 387 CG GLU A 25 -4.450 1.897 8.969 1.00 0.00 C ATOM 388 CD GLU A 25 -4.972 3.311 8.708 1.00 0.00 C ATOM 389 OE1 GLU A 25 -4.362 4.252 9.259 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.970 3.418 7.963 1.00 0.00 O ATOM 0 H GLU A 25 -0.625 2.094 8.864 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.627 0.830 10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.546 2.696 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.085 1.321 7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.117 1.168 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.451 1.697 10.041 1.00 0.00 H new ATOM 397 N VAL A 26 -1.451 -0.950 7.813 1.00 0.00 N ATOM 398 CA VAL A 26 -1.416 -2.285 7.239 1.00 0.00 C ATOM 399 C VAL A 26 -0.650 -3.219 8.177 1.00 0.00 C ATOM 400 O VAL A 26 -1.112 -4.320 8.476 1.00 0.00 O ATOM 401 CB VAL A 26 -0.820 -2.232 5.830 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.600 -2.802 5.814 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.716 -2.965 4.828 1.00 0.00 C ATOM 0 H VAL A 26 -0.793 -0.290 7.398 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.425 -2.684 7.137 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.765 -1.186 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.000 -2.753 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.233 -2.220 6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.579 -3.840 6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.270 -2.912 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.817 -4.009 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.700 -2.496 4.809 1.00 0.00 H new ATOM 413 N ILE A 27 0.508 -2.747 8.616 1.00 0.00 N ATOM 414 CA ILE A 27 1.342 -3.527 9.514 1.00 0.00 C ATOM 415 C ILE A 27 0.483 -4.073 10.656 1.00 0.00 C ATOM 416 O ILE A 27 0.650 -5.219 11.071 1.00 0.00 O ATOM 417 CB ILE A 27 2.539 -2.699 9.987 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.359 -2.193 8.800 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.394 -3.491 10.980 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.552 -3.112 8.525 1.00 0.00 C ATOM 0 H ILE A 27 0.888 -1.834 8.366 1.00 0.00 H new ATOM 0 HA ILE A 27 1.763 -4.386 8.993 1.00 0.00 H new ATOM 0 HB ILE A 27 2.162 -1.822 10.514 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.727 -2.137 7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.713 -1.182 9.003 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.238 -2.881 11.301 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.790 -3.760 11.847 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.763 -4.397 10.500 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.118 -2.729 7.676 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.195 -3.146 9.404 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.193 -4.116 8.299 1.00 0.00 H new ATOM 432 N ALA A 28 -0.420 -3.228 11.132 1.00 0.00 N ATOM 433 CA ALA A 28 -1.306 -3.612 12.217 1.00 0.00 C ATOM 434 C ALA A 28 -2.468 -4.433 11.654 1.00 0.00 C ATOM 435 O ALA A 28 -2.813 -5.481 12.199 1.00 0.00 O ATOM 436 CB ALA A 28 -1.782 -2.359 12.955 1.00 0.00 C ATOM 0 H ALA A 28 -0.557 -2.278 10.786 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.780 -4.236 12.939 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.447 -2.647 13.769 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.922 -1.826 13.360 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.317 -1.710 12.262 1.00 0.00 H new ATOM 442 N GLU A 29 -3.040 -3.927 10.572 1.00 0.00 N ATOM 443 CA GLU A 29 -4.156 -4.600 9.931 1.00 0.00 C ATOM 444 C GLU A 29 -3.801 -6.061 9.644 1.00 0.00 C ATOM 445 O GLU A 29 -4.332 -6.968 10.283 1.00 0.00 O ATOM 446 CB GLU A 29 -4.570 -3.875 8.648 1.00 0.00 C ATOM 447 CG GLU A 29 -5.838 -4.492 8.054 1.00 0.00 C ATOM 448 CD GLU A 29 -7.055 -3.602 8.316 1.00 0.00 C ATOM 449 OE1 GLU A 29 -6.919 -2.378 8.101 1.00 0.00 O ATOM 450 OE2 GLU A 29 -8.093 -4.166 8.724 1.00 0.00 O ATOM 0 H GLU A 29 -2.751 -3.058 10.123 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.007 -4.580 10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.740 -2.820 8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.761 -3.926 7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.710 -4.633 6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.004 -5.478 8.487 1.00 0.00 H new ATOM 457 N GLY A 30 -2.906 -6.242 8.685 1.00 0.00 N ATOM 458 CA GLY A 30 -2.474 -7.576 8.307 1.00 0.00 C ATOM 459 C GLY A 30 -1.179 -7.525 7.495 1.00 0.00 C ATOM 460 O GLY A 30 -0.120 -7.916 7.984 1.00 0.00 O ATOM 0 H GLY A 30 -2.468 -5.487 8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.323 -8.180 9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.255 -8.063 7.722 1.00 0.00 H new ATOM 464 N GLY A 31 -1.304 -7.037 6.269 1.00 0.00 N ATOM 465 CA GLY A 31 -0.157 -6.929 5.385 1.00 0.00 C ATOM 466 C GLY A 31 1.065 -6.399 6.137 1.00 0.00 C ATOM 467 O GLY A 31 0.944 -5.897 7.253 1.00 0.00 O ATOM 0 H GLY A 31 -2.183 -6.712 5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.070 -7.905 4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.394 -6.264 4.555 1.00 0.00 H new ATOM 471 N THR A 32 2.217 -6.529 5.494 1.00 0.00 N ATOM 472 CA THR A 32 3.461 -6.069 6.088 1.00 0.00 C ATOM 473 C THR A 32 4.254 -5.231 5.083 1.00 0.00 C ATOM 474 O THR A 32 3.812 -5.026 3.954 1.00 0.00 O ATOM 475 CB THR A 32 4.225 -7.294 6.594 1.00 0.00 C ATOM 476 OG1 THR A 32 3.205 -8.254 6.861 1.00 0.00 O ATOM 477 CG2 THR A 32 4.878 -7.057 7.957 1.00 0.00 C ATOM 0 H THR A 32 2.315 -6.946 4.568 1.00 0.00 H new ATOM 0 HA THR A 32 3.274 -5.411 6.937 1.00 0.00 H new ATOM 0 HB THR A 32 4.990 -7.568 5.868 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.613 -9.081 7.192 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.407 -7.958 8.269 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.583 -6.229 7.883 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.110 -6.815 8.691 1.00 0.00 H new ATOM 485 N ILE A 33 5.413 -4.769 5.530 1.00 0.00 N ATOM 486 CA ILE A 33 6.272 -3.958 4.685 1.00 0.00 C ATOM 487 C ILE A 33 7.693 -4.523 4.718 1.00 0.00 C ATOM 488 O ILE A 33 8.222 -4.822 5.788 1.00 0.00 O ATOM 489 CB ILE A 33 6.186 -2.485 5.089 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.730 -2.016 5.145 1.00 0.00 C ATOM 491 CG2 ILE A 33 7.035 -1.611 4.164 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.105 -2.002 3.748 1.00 0.00 C ATOM 0 H ILE A 33 5.777 -4.941 6.467 1.00 0.00 H new ATOM 0 HA ILE A 33 5.936 -4.000 3.649 1.00 0.00 H new ATOM 0 HB ILE A 33 6.596 -2.382 6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.157 -2.675 5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.682 -1.017 5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.956 -0.569 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.077 -1.928 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.679 -1.713 3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.071 -1.665 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.666 -1.324 3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.133 -3.007 3.327 1.00 0.00 H new ATOM 504 N THR A 34 8.273 -4.652 3.533 1.00 0.00 N ATOM 505 CA THR A 34 9.623 -5.175 3.413 1.00 0.00 C ATOM 506 C THR A 34 10.567 -4.095 2.881 1.00 0.00 C ATOM 507 O THR A 34 11.769 -4.133 3.143 1.00 0.00 O ATOM 508 CB THR A 34 9.568 -6.425 2.531 1.00 0.00 C ATOM 509 OG1 THR A 34 10.877 -6.978 2.634 1.00 0.00 O ATOM 510 CG2 THR A 34 9.422 -6.087 1.046 1.00 0.00 C ATOM 0 H THR A 34 7.832 -4.403 2.648 1.00 0.00 H new ATOM 0 HA THR A 34 10.025 -5.463 4.384 1.00 0.00 H new ATOM 0 HB THR A 34 8.735 -7.055 2.843 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.931 -7.794 2.094 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.388 -7.008 0.465 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.501 -5.525 0.890 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.273 -5.486 0.724 1.00 0.00 H new ATOM 518 N ASN A 35 9.989 -3.160 2.144 1.00 0.00 N ATOM 519 CA ASN A 35 10.765 -2.071 1.573 1.00 0.00 C ATOM 520 C ASN A 35 9.831 -0.910 1.229 1.00 0.00 C ATOM 521 O ASN A 35 8.615 -1.085 1.162 1.00 0.00 O ATOM 522 CB ASN A 35 11.466 -2.511 0.286 1.00 0.00 C ATOM 523 CG ASN A 35 12.384 -3.708 0.543 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.299 -3.660 1.349 1.00 0.00 O ATOM 525 ND2 ASN A 35 12.091 -4.781 -0.186 1.00 0.00 N ATOM 0 H ASN A 35 8.992 -3.133 1.928 1.00 0.00 H new ATOM 0 HA ASN A 35 11.513 -1.769 2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.722 -2.774 -0.466 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.048 -1.682 -0.117 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.646 -5.631 -0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.311 -4.754 -0.843 1.00 0.00 H new ATOM 532 N GLU A 36 10.433 0.251 1.020 1.00 0.00 N ATOM 533 CA GLU A 36 9.670 1.442 0.684 1.00 0.00 C ATOM 534 C GLU A 36 10.344 2.198 -0.462 1.00 0.00 C ATOM 535 O GLU A 36 11.490 1.918 -0.807 1.00 0.00 O ATOM 536 CB GLU A 36 9.494 2.343 1.908 1.00 0.00 C ATOM 537 CG GLU A 36 10.653 3.336 2.029 1.00 0.00 C ATOM 538 CD GLU A 36 11.969 2.609 2.316 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.170 2.243 3.494 1.00 0.00 O ATOM 540 OE2 GLU A 36 12.744 2.438 1.351 1.00 0.00 O ATOM 0 H GLU A 36 11.441 0.393 1.077 1.00 0.00 H new ATOM 0 HA GLU A 36 8.677 1.134 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.552 2.886 1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.438 1.732 2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.744 3.909 1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.445 4.048 2.828 1.00 0.00 H new ATOM 547 N TYR A 37 9.601 3.142 -1.021 1.00 0.00 N ATOM 548 CA TYR A 37 10.113 3.942 -2.122 1.00 0.00 C ATOM 549 C TYR A 37 9.984 5.437 -1.820 1.00 0.00 C ATOM 550 O TYR A 37 8.964 6.050 -2.131 1.00 0.00 O ATOM 551 CB TYR A 37 9.240 3.601 -3.332 1.00 0.00 C ATOM 552 CG TYR A 37 9.337 2.140 -3.777 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.574 1.564 -3.989 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.189 1.398 -3.964 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.665 0.189 -4.407 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.280 0.024 -4.383 1.00 0.00 C ATOM 557 CZ TYR A 37 9.513 -0.513 -4.584 1.00 0.00 C ATOM 558 OH TYR A 37 9.599 -1.812 -4.979 1.00 0.00 O ATOM 0 H TYR A 37 8.650 3.371 -0.733 1.00 0.00 H new ATOM 0 HA TYR A 37 11.168 3.729 -2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.201 3.829 -3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.525 4.244 -4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.473 2.144 -3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.222 1.848 -3.796 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.626 -0.274 -4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.389 -0.567 -4.534 1.00 0.00 H new ATOM 0 HH TYR A 37 8.698 -2.188 -5.064 1.00 0.00 H new ATOM 568 N ASN A 38 11.031 5.978 -1.218 1.00 0.00 N ATOM 569 CA ASN A 38 11.048 7.389 -0.872 1.00 0.00 C ATOM 570 C ASN A 38 11.795 8.168 -1.957 1.00 0.00 C ATOM 571 O ASN A 38 12.746 8.892 -1.664 1.00 0.00 O ATOM 572 CB ASN A 38 11.770 7.622 0.458 1.00 0.00 C ATOM 573 CG ASN A 38 11.447 6.510 1.458 1.00 0.00 C ATOM 574 OD1 ASN A 38 12.202 5.569 1.645 1.00 0.00 O ATOM 575 ND2 ASN A 38 10.288 6.669 2.089 1.00 0.00 N ATOM 0 H ASN A 38 11.874 5.465 -0.961 1.00 0.00 H new ATOM 0 HA ASN A 38 10.015 7.727 -0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.846 7.663 0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.475 8.586 0.872 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.983 5.980 2.777 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.704 7.480 1.885 1.00 0.00 H new ATOM 582 N MET A 39 11.335 7.994 -3.187 1.00 0.00 N ATOM 583 CA MET A 39 11.947 8.673 -4.317 1.00 0.00 C ATOM 584 C MET A 39 11.312 10.046 -4.543 1.00 0.00 C ATOM 585 O MET A 39 10.245 10.337 -4.004 1.00 0.00 O ATOM 586 CB MET A 39 11.779 7.819 -5.575 1.00 0.00 C ATOM 587 CG MET A 39 13.021 6.963 -5.828 1.00 0.00 C ATOM 588 SD MET A 39 13.291 6.780 -7.583 1.00 0.00 S ATOM 589 CE MET A 39 13.511 5.011 -7.680 1.00 0.00 C ATOM 0 H MET A 39 10.546 7.393 -3.426 1.00 0.00 H new ATOM 0 HA MET A 39 13.006 8.816 -4.101 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.906 7.176 -5.468 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.596 8.464 -6.435 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.892 7.426 -5.364 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.897 5.983 -5.367 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.691 4.723 -8.716 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.363 4.716 -7.068 1.00 0.00 H new ATOM 0 HE3 MET A 39 12.613 4.512 -7.316 1.00 0.00 H new ATOM 599 N PRO A 40 12.012 10.876 -5.361 1.00 0.00 N ATOM 600 CA PRO A 40 11.527 12.212 -5.664 1.00 0.00 C ATOM 601 C PRO A 40 10.362 12.161 -6.655 1.00 0.00 C ATOM 602 O PRO A 40 9.637 13.141 -6.816 1.00 0.00 O ATOM 603 CB PRO A 40 12.737 12.955 -6.207 1.00 0.00 C ATOM 604 CG PRO A 40 13.733 11.884 -6.623 1.00 0.00 C ATOM 605 CD PRO A 40 13.278 10.565 -6.017 1.00 0.00 C ATOM 0 HA PRO A 40 11.122 12.721 -4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.462 13.583 -7.055 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.164 13.612 -5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.781 11.809 -7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.735 12.138 -6.276 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.150 9.801 -6.783 1.00 0.00 H new ATOM 0 HD3 PRO A 40 14.010 10.183 -5.305 1.00 0.00 H new ATOM 613 N GLY A 41 10.221 11.009 -7.294 1.00 0.00 N ATOM 614 CA GLY A 41 9.157 10.818 -8.265 1.00 0.00 C ATOM 615 C GLY A 41 8.394 9.519 -7.993 1.00 0.00 C ATOM 616 O GLY A 41 7.496 9.153 -8.749 1.00 0.00 O ATOM 0 H GLY A 41 10.826 10.199 -7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.469 11.663 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.577 10.794 -9.270 1.00 0.00 H new ATOM 620 N MET A 42 8.779 8.859 -6.911 1.00 0.00 N ATOM 621 CA MET A 42 8.143 7.609 -6.531 1.00 0.00 C ATOM 622 C MET A 42 7.850 7.579 -5.030 1.00 0.00 C ATOM 623 O MET A 42 8.696 7.170 -4.236 1.00 0.00 O ATOM 624 CB MET A 42 9.059 6.438 -6.896 1.00 0.00 C ATOM 625 CG MET A 42 8.341 5.447 -7.814 1.00 0.00 C ATOM 626 SD MET A 42 9.147 5.393 -9.405 1.00 0.00 S ATOM 627 CE MET A 42 10.183 3.956 -9.178 1.00 0.00 C ATOM 0 H MET A 42 9.524 9.166 -6.285 1.00 0.00 H new ATOM 0 HA MET A 42 7.199 7.524 -7.069 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.956 6.813 -7.390 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.384 5.929 -5.989 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.342 4.455 -7.363 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.298 5.741 -7.935 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.053 4.028 -9.830 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.511 3.904 -8.140 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.618 3.057 -9.425 1.00 0.00 H new ATOM 637 N LYS A 43 6.647 8.016 -4.685 1.00 0.00 N ATOM 638 CA LYS A 43 6.231 8.044 -3.293 1.00 0.00 C ATOM 639 C LYS A 43 5.334 6.837 -3.010 1.00 0.00 C ATOM 640 O LYS A 43 4.132 6.989 -2.803 1.00 0.00 O ATOM 641 CB LYS A 43 5.580 9.387 -2.955 1.00 0.00 C ATOM 642 CG LYS A 43 6.638 10.474 -2.752 1.00 0.00 C ATOM 643 CD LYS A 43 5.986 11.834 -2.502 1.00 0.00 C ATOM 644 CE LYS A 43 7.042 12.905 -2.219 1.00 0.00 C ATOM 645 NZ LYS A 43 7.844 13.176 -3.433 1.00 0.00 N ATOM 0 H LYS A 43 5.947 8.354 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 43 7.096 7.961 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.903 9.679 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.979 9.287 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.276 10.212 -1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.280 10.531 -3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.394 12.123 -3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.300 11.763 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.558 13.822 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.695 12.576 -1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.450 14.006 -3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.438 12.350 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.208 13.363 -4.235 1.00 0.00 H new ATOM 659 N GLY A 44 5.955 5.666 -3.010 1.00 0.00 N ATOM 660 CA GLY A 44 5.228 4.434 -2.755 1.00 0.00 C ATOM 661 C GLY A 44 6.024 3.509 -1.832 1.00 0.00 C ATOM 662 O GLY A 44 7.028 3.920 -1.251 1.00 0.00 O ATOM 0 H GLY A 44 6.953 5.545 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.264 4.664 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.024 3.926 -3.698 1.00 0.00 H new ATOM 666 N PHE A 45 5.547 2.277 -1.727 1.00 0.00 N ATOM 667 CA PHE A 45 6.202 1.291 -0.886 1.00 0.00 C ATOM 668 C PHE A 45 5.918 -0.128 -1.383 1.00 0.00 C ATOM 669 O PHE A 45 5.017 -0.338 -2.194 1.00 0.00 O ATOM 670 CB PHE A 45 5.624 1.449 0.522 1.00 0.00 C ATOM 671 CG PHE A 45 4.252 0.799 0.710 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.160 -0.534 0.964 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.124 1.554 0.621 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.886 -1.137 1.138 1.00 0.00 C ATOM 675 CE2 PHE A 45 1.851 0.951 0.794 1.00 0.00 C ATOM 676 CZ PHE A 45 1.758 -0.382 1.050 1.00 0.00 C ATOM 0 H PHE A 45 4.715 1.940 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 45 7.281 1.445 -0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.321 1.016 1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.546 2.511 0.754 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.055 -1.134 1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.197 2.612 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.813 -2.195 1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.956 1.551 0.722 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.789 -0.840 1.183 1.00 0.00 H new ATOM 686 N ALA A 46 6.704 -1.067 -0.877 1.00 0.00 N ATOM 687 CA ALA A 46 6.549 -2.460 -1.259 1.00 0.00 C ATOM 688 C ALA A 46 6.546 -3.333 -0.002 1.00 0.00 C ATOM 689 O ALA A 46 7.007 -2.905 1.055 1.00 0.00 O ATOM 690 CB ALA A 46 7.661 -2.848 -2.235 1.00 0.00 C ATOM 0 H ALA A 46 7.451 -0.890 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 46 5.598 -2.614 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.545 -3.893 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.601 -2.219 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.630 -2.709 -1.756 1.00 0.00 H new ATOM 696 N GLY A 47 6.021 -4.538 -0.159 1.00 0.00 N ATOM 697 CA GLY A 47 5.952 -5.475 0.950 1.00 0.00 C ATOM 698 C GLY A 47 4.872 -6.532 0.709 1.00 0.00 C ATOM 699 O GLY A 47 4.528 -6.823 -0.436 1.00 0.00 O ATOM 0 H GLY A 47 5.639 -4.888 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.919 -5.961 1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.739 -4.936 1.873 1.00 0.00 H new ATOM 703 N GLU A 48 4.370 -7.079 1.806 1.00 0.00 N ATOM 704 CA GLU A 48 3.337 -8.099 1.726 1.00 0.00 C ATOM 705 C GLU A 48 1.960 -7.480 1.977 1.00 0.00 C ATOM 706 O GLU A 48 1.799 -6.659 2.880 1.00 0.00 O ATOM 707 CB GLU A 48 3.614 -9.237 2.712 1.00 0.00 C ATOM 708 CG GLU A 48 2.738 -10.453 2.403 1.00 0.00 C ATOM 709 CD GLU A 48 3.596 -11.674 2.066 1.00 0.00 C ATOM 710 OE1 GLU A 48 4.632 -11.472 1.395 1.00 0.00 O ATOM 711 OE2 GLU A 48 3.197 -12.782 2.484 1.00 0.00 O ATOM 0 H GLU A 48 4.658 -6.836 2.754 1.00 0.00 H new ATOM 0 HA GLU A 48 3.347 -8.521 0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.666 -9.519 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.424 -8.896 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.103 -10.676 3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.077 -10.226 1.567 1.00 0.00 H new ATOM 718 N LEU A 49 1.002 -7.896 1.162 1.00 0.00 N ATOM 719 CA LEU A 49 -0.355 -7.394 1.284 1.00 0.00 C ATOM 720 C LEU A 49 -1.342 -8.536 1.035 1.00 0.00 C ATOM 721 O LEU A 49 -0.951 -9.701 0.996 1.00 0.00 O ATOM 722 CB LEU A 49 -0.565 -6.189 0.365 1.00 0.00 C ATOM 723 CG LEU A 49 -0.406 -4.813 1.016 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.348 -3.854 0.092 1.00 0.00 C ATOM 725 CD2 LEU A 49 -1.763 -4.249 1.443 1.00 0.00 C ATOM 0 H LEU A 49 1.139 -8.576 0.414 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.537 -7.030 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.141 -6.261 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.566 -6.253 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 49 0.193 -4.929 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.448 -2.883 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.338 -4.257 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.204 -3.738 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.622 -3.271 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.407 -4.150 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.228 -4.924 2.162 1.00 0.00 H new ATOM 737 N THR A 50 -2.603 -8.162 0.874 1.00 0.00 N ATOM 738 CA THR A 50 -3.649 -9.141 0.630 1.00 0.00 C ATOM 739 C THR A 50 -4.857 -8.476 -0.034 1.00 0.00 C ATOM 740 O THR A 50 -4.813 -7.293 -0.366 1.00 0.00 O ATOM 741 CB THR A 50 -3.983 -9.817 1.961 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.065 -9.238 2.885 1.00 0.00 O ATOM 743 CG2 THR A 50 -3.629 -11.305 1.967 1.00 0.00 C ATOM 0 H THR A 50 -2.924 -7.194 0.908 1.00 0.00 H new ATOM 0 HA THR A 50 -3.317 -9.910 -0.067 1.00 0.00 H new ATOM 0 HB THR A 50 -5.045 -9.696 2.173 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.317 -9.854 3.032 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.886 -11.736 2.934 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.188 -11.815 1.182 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.560 -11.426 1.789 1.00 0.00 H new ATOM 751 N PRO A 51 -5.933 -9.288 -0.212 1.00 0.00 N ATOM 752 CA PRO A 51 -7.151 -8.791 -0.830 1.00 0.00 C ATOM 753 C PRO A 51 -7.936 -7.905 0.139 1.00 0.00 C ATOM 754 O PRO A 51 -8.711 -7.049 -0.286 1.00 0.00 O ATOM 755 CB PRO A 51 -7.916 -10.036 -1.249 1.00 0.00 C ATOM 756 CG PRO A 51 -7.325 -11.180 -0.439 1.00 0.00 C ATOM 757 CD PRO A 51 -6.019 -10.694 0.169 1.00 0.00 C ATOM 0 HA PRO A 51 -6.955 -8.152 -1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.982 -9.925 -1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.810 -10.219 -2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.017 -11.492 0.343 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.150 -12.048 -1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.019 -10.811 1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.170 -11.260 -0.213 1.00 0.00 H new ATOM 765 N GLN A 52 -7.708 -8.139 1.422 1.00 0.00 N ATOM 766 CA GLN A 52 -8.384 -7.373 2.455 1.00 0.00 C ATOM 767 C GLN A 52 -7.837 -5.945 2.499 1.00 0.00 C ATOM 768 O GLN A 52 -8.576 -4.987 2.277 1.00 0.00 O ATOM 769 CB GLN A 52 -8.251 -8.054 3.819 1.00 0.00 C ATOM 770 CG GLN A 52 -9.605 -8.135 4.526 1.00 0.00 C ATOM 771 CD GLN A 52 -9.428 -8.194 6.044 1.00 0.00 C ATOM 772 OE1 GLN A 52 -10.135 -7.550 6.803 1.00 0.00 O ATOM 773 NE2 GLN A 52 -8.448 -9.000 6.443 1.00 0.00 N ATOM 0 H GLN A 52 -7.064 -8.849 1.771 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.445 -7.328 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.843 -9.057 3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.546 -7.500 4.439 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.210 -7.268 4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.145 -9.018 4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.895 -9.510 5.754 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.250 -9.108 7.438 1.00 0.00 H new ATOM 782 N SER A 53 -6.547 -5.848 2.787 1.00 0.00 N ATOM 783 CA SER A 53 -5.894 -4.551 2.864 1.00 0.00 C ATOM 784 C SER A 53 -6.142 -3.763 1.576 1.00 0.00 C ATOM 785 O SER A 53 -6.304 -2.545 1.613 1.00 0.00 O ATOM 786 CB SER A 53 -4.391 -4.707 3.110 1.00 0.00 C ATOM 787 OG SER A 53 -4.063 -4.599 4.493 1.00 0.00 O ATOM 0 H SER A 53 -5.937 -6.645 2.970 1.00 0.00 H new ATOM 0 HA SER A 53 -6.319 -4.002 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.060 -5.675 2.733 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.851 -3.945 2.548 1.00 0.00 H new ATOM 0 HG SER A 53 -3.500 -5.357 4.756 1.00 0.00 H new ATOM 793 N LEU A 54 -6.164 -4.492 0.469 1.00 0.00 N ATOM 794 CA LEU A 54 -6.390 -3.876 -0.826 1.00 0.00 C ATOM 795 C LEU A 54 -7.679 -3.053 -0.778 1.00 0.00 C ATOM 796 O LEU A 54 -7.634 -1.823 -0.760 1.00 0.00 O ATOM 797 CB LEU A 54 -6.377 -4.934 -1.933 1.00 0.00 C ATOM 798 CG LEU A 54 -5.144 -4.944 -2.837 1.00 0.00 C ATOM 799 CD1 LEU A 54 -5.485 -5.496 -4.222 1.00 0.00 C ATOM 800 CD2 LEU A 54 -4.509 -3.554 -2.914 1.00 0.00 C ATOM 0 H LEU A 54 -6.029 -5.503 0.443 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.580 -3.187 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.472 -5.916 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.259 -4.789 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.403 -5.612 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.591 -5.492 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.856 -6.516 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.251 -4.873 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.634 -3.589 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.232 -2.845 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.208 -3.236 -1.916 1.00 0.00 H new ATOM 812 N THR A 55 -8.797 -3.763 -0.759 1.00 0.00 N ATOM 813 CA THR A 55 -10.096 -3.114 -0.713 1.00 0.00 C ATOM 814 C THR A 55 -10.038 -1.869 0.175 1.00 0.00 C ATOM 815 O THR A 55 -10.764 -0.903 -0.056 1.00 0.00 O ATOM 816 CB THR A 55 -11.124 -4.145 -0.246 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.036 -5.187 -1.215 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.562 -3.639 -0.374 1.00 0.00 C ATOM 0 H THR A 55 -8.830 -4.782 -0.775 1.00 0.00 H new ATOM 0 HA THR A 55 -10.396 -2.759 -1.699 1.00 0.00 H new ATOM 0 HB THR A 55 -10.924 -4.411 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.669 -5.899 -0.988 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.251 -4.410 -0.029 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.688 -2.742 0.233 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.773 -3.404 -1.417 1.00 0.00 H new ATOM 826 N LYS A 56 -9.168 -1.932 1.173 1.00 0.00 N ATOM 827 CA LYS A 56 -9.006 -0.822 2.096 1.00 0.00 C ATOM 828 C LYS A 56 -8.671 0.446 1.309 1.00 0.00 C ATOM 829 O LYS A 56 -9.499 1.349 1.195 1.00 0.00 O ATOM 830 CB LYS A 56 -7.976 -1.168 3.174 1.00 0.00 C ATOM 831 CG LYS A 56 -8.316 -0.479 4.498 1.00 0.00 C ATOM 832 CD LYS A 56 -7.958 1.008 4.449 1.00 0.00 C ATOM 833 CE LYS A 56 -6.476 1.205 4.124 1.00 0.00 C ATOM 834 NZ LYS A 56 -5.952 2.414 4.797 1.00 0.00 N ATOM 0 H LYS A 56 -8.568 -2.735 1.362 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.938 -0.630 2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.945 -2.248 3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.983 -0.862 2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.379 -0.594 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.775 -0.961 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.568 1.508 3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.189 1.473 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.909 0.330 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.343 1.296 3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.945 2.532 4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.482 3.249 4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.060 2.313 5.826 1.00 0.00 H new ATOM 848 N PHE A 57 -7.454 0.475 0.785 1.00 0.00 N ATOM 849 CA PHE A 57 -6.998 1.617 0.012 1.00 0.00 C ATOM 850 C PHE A 57 -7.263 1.410 -1.481 1.00 0.00 C ATOM 851 O PHE A 57 -6.722 2.132 -2.316 1.00 0.00 O ATOM 852 CB PHE A 57 -5.490 1.738 0.239 1.00 0.00 C ATOM 853 CG PHE A 57 -4.726 0.425 0.055 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.360 0.020 -1.190 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.414 -0.337 1.139 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.650 -1.199 -1.359 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.705 -1.555 0.968 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.339 -1.961 -0.277 1.00 0.00 C ATOM 0 H PHE A 57 -6.770 -0.275 0.881 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.530 2.515 0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.088 2.480 -0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.313 2.111 1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.609 0.624 -2.050 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.705 -0.015 2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.357 -1.520 -2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.456 -2.160 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.801 -2.889 -0.406 1.00 0.00 H new ATOM 868 N GLN A 58 -8.095 0.420 -1.769 1.00 0.00 N ATOM 869 CA GLN A 58 -8.438 0.109 -3.146 1.00 0.00 C ATOM 870 C GLN A 58 -9.674 0.899 -3.577 1.00 0.00 C ATOM 871 O GLN A 58 -9.692 1.492 -4.654 1.00 0.00 O ATOM 872 CB GLN A 58 -8.657 -1.395 -3.330 1.00 0.00 C ATOM 873 CG GLN A 58 -7.406 -2.065 -3.902 1.00 0.00 C ATOM 874 CD GLN A 58 -7.575 -2.361 -5.394 1.00 0.00 C ATOM 875 OE1 GLN A 58 -8.676 -2.460 -5.912 1.00 0.00 O ATOM 876 NE2 GLN A 58 -6.428 -2.495 -6.052 1.00 0.00 N ATOM 0 H GLN A 58 -8.541 -0.177 -1.073 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.603 0.403 -3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.911 -1.849 -2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.502 -1.564 -3.997 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.542 -1.418 -3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.208 -2.992 -3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.542 -2.400 -5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.434 -2.693 -7.053 1.00 0.00 H new ATOM 885 N GLY A 59 -10.679 0.883 -2.713 1.00 0.00 N ATOM 886 CA GLY A 59 -11.917 1.591 -2.991 1.00 0.00 C ATOM 887 C GLY A 59 -11.731 3.101 -2.834 1.00 0.00 C ATOM 888 O GLY A 59 -12.401 3.886 -3.506 1.00 0.00 O ATOM 0 H GLY A 59 -10.661 0.391 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.250 1.365 -4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.698 1.245 -2.314 1.00 0.00 H new ATOM 892 N LEU A 60 -10.819 3.464 -1.945 1.00 0.00 N ATOM 893 CA LEU A 60 -10.536 4.867 -1.692 1.00 0.00 C ATOM 894 C LEU A 60 -9.423 5.335 -2.630 1.00 0.00 C ATOM 895 O LEU A 60 -9.278 6.532 -2.877 1.00 0.00 O ATOM 896 CB LEU A 60 -10.229 5.093 -0.210 1.00 0.00 C ATOM 897 CG LEU A 60 -9.469 6.377 0.129 1.00 0.00 C ATOM 898 CD1 LEU A 60 -10.438 7.515 0.457 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.464 6.137 1.257 1.00 0.00 C ATOM 0 H LEU A 60 -10.266 2.811 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.412 5.478 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.170 5.096 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.650 4.245 0.154 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.900 6.681 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.873 8.417 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.080 7.705 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.052 7.235 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.937 7.065 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.992 5.798 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.746 5.377 0.949 1.00 0.00 H new ATOM 911 N GLN A 61 -8.665 4.369 -3.126 1.00 0.00 N ATOM 912 CA GLN A 61 -7.568 4.668 -4.032 1.00 0.00 C ATOM 913 C GLN A 61 -7.965 5.792 -4.992 1.00 0.00 C ATOM 914 O GLN A 61 -9.149 6.032 -5.217 1.00 0.00 O ATOM 915 CB GLN A 61 -7.135 3.418 -4.799 1.00 0.00 C ATOM 916 CG GLN A 61 -7.017 3.707 -6.297 1.00 0.00 C ATOM 917 CD GLN A 61 -6.640 2.443 -7.072 1.00 0.00 C ATOM 918 OE1 GLN A 61 -7.100 1.349 -6.787 1.00 0.00 O ATOM 919 NE2 GLN A 61 -5.780 2.653 -8.064 1.00 0.00 N ATOM 0 H GLN A 61 -8.788 3.378 -2.918 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.716 5.005 -3.442 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.177 3.066 -4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.857 2.618 -4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.963 4.098 -6.671 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.265 4.478 -6.464 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.434 3.595 -8.248 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.466 1.872 -8.641 1.00 0.00 H new ATOM 928 N GLY A 62 -6.950 6.450 -5.534 1.00 0.00 N ATOM 929 CA GLY A 62 -7.177 7.541 -6.465 1.00 0.00 C ATOM 930 C GLY A 62 -7.043 8.895 -5.764 1.00 0.00 C ATOM 931 O GLY A 62 -6.776 9.908 -6.411 1.00 0.00 O ATOM 0 H GLY A 62 -5.968 6.248 -5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.462 7.479 -7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.171 7.450 -6.902 1.00 0.00 H new ATOM 935 N ASP A 63 -7.235 8.870 -4.454 1.00 0.00 N ATOM 936 CA ASP A 63 -7.138 10.083 -3.660 1.00 0.00 C ATOM 937 C ASP A 63 -5.870 10.029 -2.806 1.00 0.00 C ATOM 938 O ASP A 63 -5.301 11.064 -2.467 1.00 0.00 O ATOM 939 CB ASP A 63 -8.337 10.222 -2.719 1.00 0.00 C ATOM 940 CG ASP A 63 -8.867 11.647 -2.554 1.00 0.00 C ATOM 941 OD1 ASP A 63 -8.106 12.477 -2.010 1.00 0.00 O ATOM 942 OD2 ASP A 63 -10.022 11.875 -2.974 1.00 0.00 O ATOM 0 H ASP A 63 -7.457 8.029 -3.922 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.115 10.932 -4.343 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.145 9.590 -3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.056 9.839 -1.738 1.00 0.00 H new ATOM 947 N LEU A 64 -5.465 8.809 -2.482 1.00 0.00 N ATOM 948 CA LEU A 64 -4.275 8.606 -1.673 1.00 0.00 C ATOM 949 C LEU A 64 -3.418 7.505 -2.302 1.00 0.00 C ATOM 950 O LEU A 64 -2.366 7.153 -1.771 1.00 0.00 O ATOM 951 CB LEU A 64 -4.657 8.332 -0.217 1.00 0.00 C ATOM 952 CG LEU A 64 -5.209 6.936 0.081 1.00 0.00 C ATOM 953 CD1 LEU A 64 -6.065 6.426 -1.081 1.00 0.00 C ATOM 954 CD2 LEU A 64 -4.080 5.964 0.431 1.00 0.00 C ATOM 0 H LEU A 64 -5.940 7.952 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.668 9.511 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.777 8.493 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.401 9.068 0.087 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.858 7.004 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.445 5.432 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.902 7.106 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.458 6.376 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.499 4.979 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.387 5.894 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.549 6.325 1.312 1.00 0.00 H new ATOM 966 N ILE A 65 -3.900 6.993 -3.424 1.00 0.00 N ATOM 967 CA ILE A 65 -3.192 5.940 -4.131 1.00 0.00 C ATOM 968 C ILE A 65 -3.098 6.301 -5.615 1.00 0.00 C ATOM 969 O ILE A 65 -4.107 6.325 -6.317 1.00 0.00 O ATOM 970 CB ILE A 65 -3.848 4.583 -3.870 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.740 4.198 -2.392 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.267 3.506 -4.787 1.00 0.00 C ATOM 973 CD1 ILE A 65 -2.638 3.159 -2.176 1.00 0.00 C ATOM 0 H ILE A 65 -4.773 7.288 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.172 5.852 -3.758 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.909 4.666 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.530 5.086 -1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.694 3.800 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.751 2.552 -4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.439 3.782 -5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.196 3.415 -4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.582 2.903 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.864 2.263 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.682 3.570 -2.501 1.00 0.00 H new ATOM 985 N ASP A 66 -1.875 6.572 -6.049 1.00 0.00 N ATOM 986 CA ASP A 66 -1.636 6.931 -7.436 1.00 0.00 C ATOM 987 C ASP A 66 -1.593 5.660 -8.287 1.00 0.00 C ATOM 988 O ASP A 66 -2.167 5.617 -9.374 1.00 0.00 O ATOM 989 CB ASP A 66 -0.297 7.654 -7.596 1.00 0.00 C ATOM 990 CG ASP A 66 -0.397 9.106 -8.066 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.530 9.632 -8.046 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.663 9.657 -8.433 1.00 0.00 O ATOM 0 H ASP A 66 -1.040 6.550 -5.464 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.442 7.591 -7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.226 7.633 -6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.315 7.099 -8.307 1.00 0.00 H new ATOM 997 N SER A 67 -0.906 4.658 -7.760 1.00 0.00 N ATOM 998 CA SER A 67 -0.780 3.390 -8.458 1.00 0.00 C ATOM 999 C SER A 67 -0.947 2.231 -7.472 1.00 0.00 C ATOM 1000 O SER A 67 -0.609 2.359 -6.296 1.00 0.00 O ATOM 1001 CB SER A 67 0.568 3.286 -9.175 1.00 0.00 C ATOM 1002 OG SER A 67 0.523 3.851 -10.482 1.00 0.00 O ATOM 0 H SER A 67 -0.431 4.698 -6.858 1.00 0.00 H new ATOM 0 HA SER A 67 -1.566 3.335 -9.211 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.332 3.794 -8.586 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.863 2.239 -9.243 1.00 0.00 H new ATOM 0 HG SER A 67 1.403 3.766 -10.905 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.468 1.127 -7.988 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.684 -0.053 -7.168 1.00 0.00 C ATOM 1010 C ILE A 68 -1.340 -1.302 -7.980 1.00 0.00 C ATOM 1011 O ILE A 68 -2.061 -1.662 -8.909 1.00 0.00 O ATOM 1012 CB ILE A 68 -3.105 -0.059 -6.603 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -3.161 -0.805 -5.268 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -4.097 -0.627 -7.618 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.974 -0.022 -4.234 1.00 0.00 C ATOM 0 H ILE A 68 -1.747 1.025 -8.964 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.022 -0.043 -6.302 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.399 0.972 -6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.606 -1.789 -5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.150 -0.965 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.100 -0.620 -7.190 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.083 -0.017 -8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.817 -1.650 -7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.997 -0.575 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.513 0.952 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.992 0.115 -4.600 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.236 -1.930 -7.600 1.00 0.00 N ATOM 1028 CA GLU A 69 0.213 -3.133 -8.282 1.00 0.00 C ATOM 1029 C GLU A 69 0.349 -4.287 -7.287 1.00 0.00 C ATOM 1030 O GLU A 69 1.348 -4.382 -6.575 1.00 0.00 O ATOM 1031 CB GLU A 69 1.530 -2.885 -9.020 1.00 0.00 C ATOM 1032 CG GLU A 69 1.438 -3.346 -10.476 1.00 0.00 C ATOM 1033 CD GLU A 69 2.809 -3.768 -11.006 1.00 0.00 C ATOM 1034 OE1 GLU A 69 3.366 -4.731 -10.436 1.00 0.00 O ATOM 1035 OE2 GLU A 69 3.271 -3.119 -11.968 1.00 0.00 O ATOM 0 H GLU A 69 0.360 -1.629 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.535 -3.407 -9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.776 -1.824 -8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.338 -3.416 -8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.742 -4.181 -10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.039 -2.540 -11.092 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.668 -5.135 -7.269 1.00 0.00 N ATOM 1043 CA GLU A 70 -0.674 -6.279 -6.373 1.00 0.00 C ATOM 1044 C GLU A 70 -0.384 -7.564 -7.151 1.00 0.00 C ATOM 1045 O GLU A 70 -1.122 -7.917 -8.071 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.003 -6.380 -5.622 1.00 0.00 C ATOM 1047 CG GLU A 70 -2.273 -5.110 -4.814 1.00 0.00 C ATOM 1048 CD GLU A 70 -2.573 -3.926 -5.737 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -3.669 -3.940 -6.338 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -1.700 -3.037 -5.820 1.00 0.00 O ATOM 0 H GLU A 70 -1.495 -5.053 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 70 0.114 -6.140 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.814 -6.543 -6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.984 -7.242 -4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.115 -5.274 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.408 -4.880 -4.191 1.00 0.00 H new ATOM 1057 N ASP A 71 0.691 -8.228 -6.755 1.00 0.00 N ATOM 1058 CA ASP A 71 1.087 -9.467 -7.404 1.00 0.00 C ATOM 1059 C ASP A 71 0.920 -10.629 -6.422 1.00 0.00 C ATOM 1060 O ASP A 71 1.902 -11.246 -6.013 1.00 0.00 O ATOM 1061 CB ASP A 71 2.555 -9.419 -7.834 1.00 0.00 C ATOM 1062 CG ASP A 71 3.034 -10.631 -8.634 1.00 0.00 C ATOM 1063 OD1 ASP A 71 2.197 -11.534 -8.854 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.227 -10.628 -9.010 1.00 0.00 O ATOM 0 H ASP A 71 1.301 -7.932 -5.993 1.00 0.00 H new ATOM 0 HA ASP A 71 0.458 -9.603 -8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.714 -8.522 -8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.176 -9.322 -6.943 1.00 0.00 H new ATOM 1069 N GLY A 72 -0.331 -10.891 -6.072 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.639 -11.968 -5.147 1.00 0.00 C ATOM 1071 C GLY A 72 -1.496 -13.041 -5.821 1.00 0.00 C ATOM 1072 O GLY A 72 -1.088 -14.198 -5.912 1.00 0.00 O ATOM 0 H GLY A 72 -1.143 -10.376 -6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.286 -12.413 -4.781 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.165 -11.568 -4.280 1.00 0.00 H new ATOM 1076 N ILE A 73 -2.667 -12.620 -6.274 1.00 0.00 N ATOM 1077 CA ILE A 73 -3.585 -13.531 -6.936 1.00 0.00 C ATOM 1078 C ILE A 73 -3.238 -13.606 -8.424 1.00 0.00 C ATOM 1079 O ILE A 73 -3.824 -12.894 -9.238 1.00 0.00 O ATOM 1080 CB ILE A 73 -5.034 -13.125 -6.662 1.00 0.00 C ATOM 1081 CG1 ILE A 73 -5.338 -13.153 -5.163 1.00 0.00 C ATOM 1082 CG2 ILE A 73 -6.008 -13.995 -7.461 1.00 0.00 C ATOM 1083 CD1 ILE A 73 -6.453 -12.166 -4.810 1.00 0.00 C ATOM 0 H ILE A 73 -3.002 -11.660 -6.196 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.479 -14.538 -6.533 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.170 -12.097 -6.998 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.632 -14.160 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.437 -12.906 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.031 -13.686 -7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.809 -13.880 -8.526 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.879 -15.040 -7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.649 -12.206 -3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.146 -11.157 -5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.359 -12.431 -5.355 1.00 0.00 H new ATOM 1095 N VAL A 74 -2.286 -14.474 -8.734 1.00 0.00 N ATOM 1096 CA VAL A 74 -1.854 -14.651 -10.110 1.00 0.00 C ATOM 1097 C VAL A 74 -2.472 -15.932 -10.674 1.00 0.00 C ATOM 1098 O VAL A 74 -3.275 -15.880 -11.604 1.00 0.00 O ATOM 1099 CB VAL A 74 -0.326 -14.642 -10.185 1.00 0.00 C ATOM 1100 CG1 VAL A 74 0.156 -14.960 -11.601 1.00 0.00 C ATOM 1101 CG2 VAL A 74 0.239 -13.306 -9.698 1.00 0.00 C ATOM 0 H VAL A 74 -1.802 -15.062 -8.056 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.201 -13.823 -10.728 1.00 0.00 H new ATOM 0 HB VAL A 74 0.047 -15.423 -9.523 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.246 -14.947 -11.626 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.202 -15.947 -11.894 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.232 -14.213 -12.294 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.327 -13.326 -9.762 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.146 -12.499 -10.322 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.061 -13.140 -8.663 1.00 0.00 H new ATOM 1111 N THR A 75 -2.076 -17.051 -10.086 1.00 0.00 N ATOM 1112 CA THR A 75 -2.581 -18.343 -10.518 1.00 0.00 C ATOM 1113 C THR A 75 -4.064 -18.242 -10.878 1.00 0.00 C ATOM 1114 O THR A 75 -4.915 -18.131 -9.995 1.00 0.00 O ATOM 1115 CB THR A 75 -2.291 -19.358 -9.411 1.00 0.00 C ATOM 1116 OG1 THR A 75 -3.154 -20.453 -9.710 1.00 0.00 O ATOM 1117 CG2 THR A 75 -2.763 -18.877 -8.037 1.00 0.00 C ATOM 0 H THR A 75 -1.411 -17.090 -9.314 1.00 0.00 H new ATOM 0 HA THR A 75 -2.081 -18.680 -11.426 1.00 0.00 H new ATOM 0 HB THR A 75 -1.221 -19.562 -9.376 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.030 -21.159 -9.042 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.533 -19.634 -7.288 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.253 -17.948 -7.782 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.839 -18.706 -8.061 1.00 0.00 H new ATOM 1125 N THR A 76 -4.331 -18.286 -12.175 1.00 0.00 N ATOM 1126 CA THR A 76 -5.698 -18.201 -12.661 1.00 0.00 C ATOM 1127 C THR A 76 -6.255 -19.600 -12.933 1.00 0.00 C ATOM 1128 O THR A 76 -6.264 -20.057 -14.075 1.00 0.00 O ATOM 1129 CB THR A 76 -5.705 -17.294 -13.894 1.00 0.00 C ATOM 1130 OG1 THR A 76 -5.312 -16.020 -13.390 1.00 0.00 O ATOM 1131 CG2 THR A 76 -7.115 -17.060 -14.441 1.00 0.00 C ATOM 0 H THR A 76 -3.624 -18.379 -12.904 1.00 0.00 H new ATOM 0 HA THR A 76 -6.358 -17.762 -11.912 1.00 0.00 H new ATOM 0 HB THR A 76 -5.083 -17.735 -14.673 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.476 -16.111 -12.887 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.063 -16.410 -15.315 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.558 -18.015 -14.724 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.729 -16.588 -13.674 1.00 0.00 H new ATOM 1139 N GLN A 77 -6.706 -20.239 -11.865 1.00 0.00 N ATOM 1140 CA GLN A 77 -7.264 -21.577 -11.974 1.00 0.00 C ATOM 1141 C GLN A 77 -8.490 -21.716 -11.069 1.00 0.00 C ATOM 1142 O GLN A 77 -8.605 -21.019 -10.062 1.00 0.00 O ATOM 1143 CB GLN A 77 -6.214 -22.638 -11.640 1.00 0.00 C ATOM 1144 CG GLN A 77 -5.728 -23.346 -12.907 1.00 0.00 C ATOM 1145 CD GLN A 77 -4.536 -22.612 -13.523 1.00 0.00 C ATOM 1146 OE1 GLN A 77 -3.832 -21.860 -12.871 1.00 0.00 O ATOM 1147 NE2 GLN A 77 -4.350 -22.871 -14.815 1.00 0.00 N ATOM 0 H GLN A 77 -6.697 -19.856 -10.920 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.578 -21.735 -13.006 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.369 -22.172 -11.133 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.637 -23.369 -10.950 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.445 -24.371 -12.669 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.540 -23.400 -13.632 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.977 -23.511 -15.302 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.581 -22.429 -15.318 1.00 0.00 H new TER 1156 GLN A 77