USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 491 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 45 LYS NZ :NH3+ 180:sc= 0.705 (180deg=0) USER MOD Set 1.2: A 48 GLN : amide:sc= 1.71 K(o=4.3,f=-2.9!) USER MOD Set 1.3: A 50 SER OG : rot 63:sc= 1.9 USER MOD Single : A 1 MET CE :methyl -175:sc=-0.00367 (180deg=-0.0548) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.362 (180deg=-0.388) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0764 USER MOD Single : A 9 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.2) USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= 0.444 (180deg=0.305) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00559) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0526) USER MOD Single : A 22 SER OG : rot 160:sc= 0 USER MOD Single : A 23 THR OG1 : rot -54:sc= 0.74 USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= -0.11 (180deg=-0.139) USER MOD Single : A 30 THR OG1 : rot 83:sc= 2.09 USER MOD Single : A 32 THR OG1 : rot 82:sc= 1.19 USER MOD Single : A 33 SER OG : rot -77:sc= 1.16 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0.544 (180deg=0.544) USER MOD Single : A 36 SER OG : rot 76:sc= 1.22 USER MOD Single : A 37 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.04) USER MOD Single : A 40 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 43 LYS NZ :NH3+ -171:sc=-0.00315 (180deg=-0.104) USER MOD Single : A 44 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 46 MET CE :methyl 168:sc= 0 (180deg=-0.162) USER MOD Single : A 47 GLN : amide:sc= -0.677 K(o=-0.68,f=-1.8) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc=-0.00582 (180deg=-0.0782) USER MOD Single : A 51 GLN : amide:sc= 0.7 K(o=0.7,f=-0.084) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.767 10.488 10.734 1.00 0.00 N ATOM 2 CA MET A 1 -17.511 10.346 9.308 1.00 0.00 C ATOM 3 C MET A 1 -16.497 9.235 9.014 1.00 0.00 C ATOM 4 O MET A 1 -16.369 8.805 7.867 1.00 0.00 O ATOM 5 CB MET A 1 -17.074 11.695 8.723 1.00 0.00 C ATOM 6 CG MET A 1 -15.705 12.157 9.245 1.00 0.00 C ATOM 7 SD MET A 1 -15.264 13.873 8.868 1.00 0.00 S ATOM 8 CE MET A 1 -15.379 13.876 7.065 1.00 0.00 C ATOM 0 H1 MET A 1 -18.378 11.314 10.896 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.240 9.632 11.089 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.866 10.620 11.237 1.00 0.00 H new ATOM 0 HA MET A 1 -18.437 10.043 8.820 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.036 11.619 7.636 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.823 12.450 8.964 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.685 12.024 10.327 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.938 11.504 8.829 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.049 14.841 6.681 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.745 13.088 6.659 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.412 13.701 6.766 1.00 0.00 H new ATOM 18 N ALA A 2 -15.787 8.767 10.047 1.00 0.00 N ATOM 19 CA ALA A 2 -14.766 7.728 9.953 1.00 0.00 C ATOM 20 C ALA A 2 -15.235 6.568 9.073 1.00 0.00 C ATOM 21 O ALA A 2 -14.563 6.205 8.113 1.00 0.00 O ATOM 22 CB ALA A 2 -14.395 7.239 11.357 1.00 0.00 C ATOM 0 H ALA A 2 -15.914 9.114 10.998 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.879 8.152 9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.633 6.464 11.283 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.008 8.073 11.942 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.280 6.832 11.846 1.00 0.00 H new ATOM 28 N SER A 3 -16.418 6.026 9.366 1.00 0.00 N ATOM 29 CA SER A 3 -17.033 4.957 8.598 1.00 0.00 C ATOM 30 C SER A 3 -17.092 5.280 7.100 1.00 0.00 C ATOM 31 O SER A 3 -16.834 4.415 6.265 1.00 0.00 O ATOM 32 CB SER A 3 -18.433 4.716 9.169 1.00 0.00 C ATOM 33 OG SER A 3 -18.369 4.789 10.582 1.00 0.00 O ATOM 0 H SER A 3 -16.982 6.328 10.161 1.00 0.00 H new ATOM 0 HA SER A 3 -16.427 4.055 8.684 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.131 5.460 8.784 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.804 3.740 8.858 1.00 0.00 H new ATOM 0 HG SER A 3 -19.261 4.638 10.958 1.00 0.00 H new ATOM 39 N VAL A 4 -17.431 6.523 6.749 1.00 0.00 N ATOM 40 CA VAL A 4 -17.517 6.925 5.356 1.00 0.00 C ATOM 41 C VAL A 4 -16.110 7.072 4.778 1.00 0.00 C ATOM 42 O VAL A 4 -15.872 6.652 3.653 1.00 0.00 O ATOM 43 CB VAL A 4 -18.361 8.197 5.176 1.00 0.00 C ATOM 44 CG1 VAL A 4 -18.617 8.436 3.682 1.00 0.00 C ATOM 45 CG2 VAL A 4 -19.710 8.085 5.899 1.00 0.00 C ATOM 0 H VAL A 4 -17.649 7.264 7.416 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.036 6.146 4.797 1.00 0.00 H new ATOM 0 HB VAL A 4 -17.805 9.030 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -19.216 9.338 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -17.665 8.556 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.152 7.584 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -20.280 9.002 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -20.270 7.241 5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -19.540 7.933 6.965 1.00 0.00 H new ATOM 55 N LEU A 5 -15.157 7.627 5.532 1.00 0.00 N ATOM 56 CA LEU A 5 -13.768 7.658 5.076 1.00 0.00 C ATOM 57 C LEU A 5 -13.280 6.238 4.760 1.00 0.00 C ATOM 58 O LEU A 5 -12.697 5.999 3.704 1.00 0.00 O ATOM 59 CB LEU A 5 -12.861 8.359 6.097 1.00 0.00 C ATOM 60 CG LEU A 5 -13.230 9.832 6.350 1.00 0.00 C ATOM 61 CD1 LEU A 5 -12.298 10.402 7.426 1.00 0.00 C ATOM 62 CD2 LEU A 5 -13.108 10.684 5.079 1.00 0.00 C ATOM 0 H LEU A 5 -15.319 8.053 6.444 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.719 8.242 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.905 7.816 7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.830 8.308 5.748 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.270 9.866 6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.552 11.446 7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.414 9.831 8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.265 10.335 7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.378 11.716 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.081 10.649 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.778 10.293 4.313 1.00 0.00 H new ATOM 74 N GLU A 6 -13.558 5.284 5.652 1.00 0.00 N ATOM 75 CA GLU A 6 -13.276 3.872 5.428 1.00 0.00 C ATOM 76 C GLU A 6 -13.974 3.379 4.154 1.00 0.00 C ATOM 77 O GLU A 6 -13.339 2.753 3.310 1.00 0.00 O ATOM 78 CB GLU A 6 -13.685 3.053 6.659 1.00 0.00 C ATOM 79 CG GLU A 6 -12.811 3.380 7.879 1.00 0.00 C ATOM 80 CD GLU A 6 -13.390 2.770 9.153 1.00 0.00 C ATOM 81 OE1 GLU A 6 -13.237 1.540 9.311 1.00 0.00 O ATOM 82 OE2 GLU A 6 -13.986 3.541 9.936 1.00 0.00 O ATOM 0 H GLU A 6 -13.989 5.476 6.556 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.204 3.739 5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.730 3.252 6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.607 1.990 6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.801 3.002 7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.732 4.461 7.994 1.00 0.00 H new ATOM 89 N GLU A 7 -15.271 3.668 3.998 1.00 0.00 N ATOM 90 CA GLU A 7 -16.036 3.330 2.799 1.00 0.00 C ATOM 91 C GLU A 7 -15.320 3.835 1.536 1.00 0.00 C ATOM 92 O GLU A 7 -15.111 3.082 0.585 1.00 0.00 O ATOM 93 CB GLU A 7 -17.459 3.902 2.941 1.00 0.00 C ATOM 94 CG GLU A 7 -18.496 3.335 1.963 1.00 0.00 C ATOM 95 CD GLU A 7 -18.260 3.737 0.510 1.00 0.00 C ATOM 96 OE1 GLU A 7 -17.982 4.936 0.287 1.00 0.00 O ATOM 97 OE2 GLU A 7 -18.367 2.839 -0.351 1.00 0.00 O ATOM 0 H GLU A 7 -15.822 4.148 4.710 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.112 2.248 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.806 3.720 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.413 4.983 2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.491 2.247 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.488 3.670 2.266 1.00 0.00 H new ATOM 104 N LEU A 8 -14.939 5.112 1.524 1.00 0.00 N ATOM 105 CA LEU A 8 -14.263 5.737 0.399 1.00 0.00 C ATOM 106 C LEU A 8 -12.910 5.066 0.158 1.00 0.00 C ATOM 107 O LEU A 8 -12.564 4.775 -0.985 1.00 0.00 O ATOM 108 CB LEU A 8 -14.127 7.251 0.633 1.00 0.00 C ATOM 109 CG LEU A 8 -15.486 7.974 0.661 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.306 9.386 1.232 1.00 0.00 C ATOM 111 CD2 LEU A 8 -16.107 8.082 -0.735 1.00 0.00 C ATOM 0 H LEU A 8 -15.095 5.746 2.308 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.859 5.601 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.609 7.423 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.507 7.682 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.156 7.386 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.269 9.896 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.910 9.321 2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.611 9.946 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -17.064 8.599 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.438 8.641 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.262 7.083 -1.143 1.00 0.00 H new ATOM 123 N GLN A 9 -12.149 4.777 1.216 1.00 0.00 N ATOM 124 CA GLN A 9 -10.892 4.048 1.094 1.00 0.00 C ATOM 125 C GLN A 9 -11.128 2.671 0.461 1.00 0.00 C ATOM 126 O GLN A 9 -10.395 2.261 -0.437 1.00 0.00 O ATOM 127 CB GLN A 9 -10.215 3.945 2.468 1.00 0.00 C ATOM 128 CG GLN A 9 -8.771 3.423 2.379 1.00 0.00 C ATOM 129 CD GLN A 9 -7.860 4.325 1.548 1.00 0.00 C ATOM 130 OE1 GLN A 9 -7.203 3.870 0.619 1.00 0.00 O ATOM 131 NE2 GLN A 9 -7.819 5.617 1.862 1.00 0.00 N ATOM 0 H GLN A 9 -12.387 5.041 2.172 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.219 4.592 0.431 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.214 4.926 2.943 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.798 3.282 3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.362 3.330 3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.778 2.424 1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.376 5.971 2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.231 6.254 1.325 1.00 0.00 H new ATOM 140 N LYS A 10 -12.160 1.954 0.909 1.00 0.00 N ATOM 141 CA LYS A 10 -12.554 0.682 0.323 1.00 0.00 C ATOM 142 C LYS A 10 -12.868 0.874 -1.162 1.00 0.00 C ATOM 143 O LYS A 10 -12.408 0.097 -1.993 1.00 0.00 O ATOM 144 CB LYS A 10 -13.708 0.074 1.138 1.00 0.00 C ATOM 145 CG LYS A 10 -14.179 -1.310 0.662 1.00 0.00 C ATOM 146 CD LYS A 10 -15.149 -1.349 -0.534 1.00 0.00 C ATOM 147 CE LYS A 10 -16.463 -0.580 -0.316 1.00 0.00 C ATOM 148 NZ LYS A 10 -16.386 0.822 -0.767 1.00 0.00 N ATOM 0 H LYS A 10 -12.745 2.245 1.692 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.738 -0.039 0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.396 -0.003 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.555 0.760 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.298 -1.896 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.658 -1.812 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.644 -0.939 -1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.385 -2.389 -0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.267 -1.085 -0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.721 -0.603 0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.345 1.217 -0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.832 1.377 -0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.927 0.862 -1.699 1.00 0.00 H new ATOM 162 N ASP A 11 -13.626 1.916 -1.517 1.00 0.00 N ATOM 163 CA ASP A 11 -13.949 2.200 -2.910 1.00 0.00 C ATOM 164 C ASP A 11 -12.672 2.448 -3.727 1.00 0.00 C ATOM 165 O ASP A 11 -12.513 1.909 -4.820 1.00 0.00 O ATOM 166 CB ASP A 11 -14.926 3.380 -2.992 1.00 0.00 C ATOM 167 CG ASP A 11 -15.463 3.568 -4.407 1.00 0.00 C ATOM 168 OD1 ASP A 11 -15.934 2.561 -4.978 1.00 0.00 O ATOM 169 OD2 ASP A 11 -15.401 4.719 -4.886 1.00 0.00 O ATOM 0 H ASP A 11 -14.027 2.577 -0.852 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.440 1.331 -3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.757 3.213 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.424 4.292 -2.669 1.00 0.00 H new ATOM 174 N LEU A 12 -11.743 3.231 -3.171 1.00 0.00 N ATOM 175 CA LEU A 12 -10.419 3.469 -3.739 1.00 0.00 C ATOM 176 C LEU A 12 -9.726 2.126 -4.001 1.00 0.00 C ATOM 177 O LEU A 12 -9.288 1.847 -5.115 1.00 0.00 O ATOM 178 CB LEU A 12 -9.617 4.392 -2.802 1.00 0.00 C ATOM 179 CG LEU A 12 -8.432 5.121 -3.458 1.00 0.00 C ATOM 180 CD1 LEU A 12 -7.932 6.202 -2.493 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.262 4.185 -3.790 1.00 0.00 C ATOM 0 H LEU A 12 -11.897 3.727 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.495 3.979 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.295 5.136 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.242 3.799 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.788 5.545 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.091 6.730 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.737 6.908 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.613 5.737 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.457 4.758 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.898 3.719 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.599 3.413 -4.481 1.00 0.00 H new ATOM 193 N GLU A 13 -9.656 1.269 -2.981 1.00 0.00 N ATOM 194 CA GLU A 13 -9.085 -0.064 -3.109 1.00 0.00 C ATOM 195 C GLU A 13 -9.780 -0.847 -4.230 1.00 0.00 C ATOM 196 O GLU A 13 -9.116 -1.485 -5.042 1.00 0.00 O ATOM 197 CB GLU A 13 -9.156 -0.792 -1.760 1.00 0.00 C ATOM 198 CG GLU A 13 -8.345 -2.093 -1.776 1.00 0.00 C ATOM 199 CD GLU A 13 -8.407 -2.790 -0.422 1.00 0.00 C ATOM 200 OE1 GLU A 13 -9.407 -3.506 -0.200 1.00 0.00 O ATOM 201 OE2 GLU A 13 -7.463 -2.580 0.371 1.00 0.00 O ATOM 0 H GLU A 13 -9.995 1.484 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.034 0.018 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.780 -0.138 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.196 -1.014 -1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.731 -2.757 -2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.308 -1.876 -2.031 1.00 0.00 H new ATOM 208 N GLU A 14 -11.113 -0.794 -4.286 1.00 0.00 N ATOM 209 CA GLU A 14 -11.890 -1.478 -5.308 1.00 0.00 C ATOM 210 C GLU A 14 -11.438 -1.035 -6.702 1.00 0.00 C ATOM 211 O GLU A 14 -11.079 -1.879 -7.525 1.00 0.00 O ATOM 212 CB GLU A 14 -13.391 -1.256 -5.068 1.00 0.00 C ATOM 213 CG GLU A 14 -14.250 -2.209 -5.912 1.00 0.00 C ATOM 214 CD GLU A 14 -15.739 -2.022 -5.631 1.00 0.00 C ATOM 215 OE1 GLU A 14 -16.103 -2.078 -4.436 1.00 0.00 O ATOM 216 OE2 GLU A 14 -16.487 -1.838 -6.615 1.00 0.00 O ATOM 0 H GLU A 14 -11.681 -0.272 -3.619 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.715 -2.552 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.616 -1.403 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.649 -0.225 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.054 -2.035 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.966 -3.240 -5.700 1.00 0.00 H new ATOM 223 N VAL A 15 -11.421 0.276 -6.977 1.00 0.00 N ATOM 224 CA VAL A 15 -10.922 0.727 -8.270 1.00 0.00 C ATOM 225 C VAL A 15 -9.485 0.262 -8.474 1.00 0.00 C ATOM 226 O VAL A 15 -9.202 -0.284 -9.530 1.00 0.00 O ATOM 227 CB VAL A 15 -11.134 2.223 -8.564 1.00 0.00 C ATOM 228 CG1 VAL A 15 -10.579 3.172 -7.502 1.00 0.00 C ATOM 229 CG2 VAL A 15 -10.501 2.605 -9.909 1.00 0.00 C ATOM 0 H VAL A 15 -11.735 1.013 -6.345 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.544 0.247 -9.026 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.217 2.344 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.776 4.203 -7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.061 2.970 -6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.504 3.021 -7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.662 3.666 -10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.431 2.400 -9.879 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.960 2.021 -10.706 1.00 0.00 H new ATOM 239 N LYS A 16 -8.593 0.421 -7.492 1.00 0.00 N ATOM 240 CA LYS A 16 -7.206 -0.023 -7.614 1.00 0.00 C ATOM 241 C LYS A 16 -7.142 -1.481 -8.098 1.00 0.00 C ATOM 242 O LYS A 16 -6.481 -1.787 -9.093 1.00 0.00 O ATOM 243 CB LYS A 16 -6.485 0.179 -6.275 1.00 0.00 C ATOM 244 CG LYS A 16 -4.963 0.047 -6.403 1.00 0.00 C ATOM 245 CD LYS A 16 -4.288 -0.015 -5.024 1.00 0.00 C ATOM 246 CE LYS A 16 -4.599 1.182 -4.114 1.00 0.00 C ATOM 247 NZ LYS A 16 -4.257 2.467 -4.748 1.00 0.00 N ATOM 0 H LYS A 16 -8.812 0.858 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.694 0.578 -8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.729 1.165 -5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.851 -0.553 -5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.721 -0.852 -6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.569 0.894 -6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.600 -0.930 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.209 -0.080 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.658 1.176 -3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.045 1.080 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.452 3.244 -4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.248 2.472 -5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.829 2.593 -5.607 1.00 0.00 H new ATOM 261 N VAL A 17 -7.868 -2.372 -7.421 1.00 0.00 N ATOM 262 CA VAL A 17 -7.986 -3.769 -7.813 1.00 0.00 C ATOM 263 C VAL A 17 -8.462 -3.879 -9.267 1.00 0.00 C ATOM 264 O VAL A 17 -7.874 -4.627 -10.046 1.00 0.00 O ATOM 265 CB VAL A 17 -8.884 -4.522 -6.814 1.00 0.00 C ATOM 266 CG1 VAL A 17 -9.260 -5.921 -7.318 1.00 0.00 C ATOM 267 CG2 VAL A 17 -8.159 -4.673 -5.469 1.00 0.00 C ATOM 0 H VAL A 17 -8.393 -2.138 -6.579 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.008 -4.249 -7.777 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.796 -3.935 -6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.894 -6.415 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.799 -5.835 -8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.355 -6.508 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.801 -5.207 -4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.235 -5.233 -5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.926 -3.686 -5.069 1.00 0.00 H new ATOM 277 N LEU A 18 -9.498 -3.132 -9.661 1.00 0.00 N ATOM 278 CA LEU A 18 -9.921 -3.120 -11.059 1.00 0.00 C ATOM 279 C LEU A 18 -8.810 -2.627 -11.995 1.00 0.00 C ATOM 280 O LEU A 18 -8.640 -3.199 -13.069 1.00 0.00 O ATOM 281 CB LEU A 18 -11.210 -2.312 -11.270 1.00 0.00 C ATOM 282 CG LEU A 18 -12.452 -2.892 -10.574 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.648 -1.986 -10.885 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.777 -4.318 -11.038 1.00 0.00 C ATOM 0 H LEU A 18 -10.049 -2.538 -9.041 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.137 -4.157 -11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.049 -1.296 -10.909 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.409 -2.243 -12.340 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.246 -2.936 -9.505 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.540 -2.381 -10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.449 -0.980 -10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.807 -1.951 -11.963 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.663 -4.678 -10.514 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.965 -4.317 -12.112 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.934 -4.973 -10.818 1.00 0.00 H new ATOM 296 N LEU A 19 -8.053 -1.586 -11.627 1.00 0.00 N ATOM 297 CA LEU A 19 -6.942 -1.110 -12.448 1.00 0.00 C ATOM 298 C LEU A 19 -5.951 -2.254 -12.672 1.00 0.00 C ATOM 299 O LEU A 19 -5.511 -2.494 -13.794 1.00 0.00 O ATOM 300 CB LEU A 19 -6.218 0.110 -11.845 1.00 0.00 C ATOM 301 CG LEU A 19 -7.080 1.344 -11.527 1.00 0.00 C ATOM 302 CD1 LEU A 19 -6.173 2.495 -11.080 1.00 0.00 C ATOM 303 CD2 LEU A 19 -7.958 1.815 -12.691 1.00 0.00 C ATOM 0 H LEU A 19 -8.193 -1.059 -10.765 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.362 -0.778 -13.397 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.727 -0.207 -10.925 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.432 0.414 -12.537 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.762 1.042 -10.732 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.781 3.371 -10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.620 2.198 -10.189 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.472 2.737 -11.879 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.533 2.688 -12.383 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.327 2.077 -13.540 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.640 1.015 -12.979 1.00 0.00 H new ATOM 315 N GLU A 20 -5.612 -2.978 -11.605 1.00 0.00 N ATOM 316 CA GLU A 20 -4.734 -4.131 -11.717 1.00 0.00 C ATOM 317 C GLU A 20 -5.344 -5.184 -12.656 1.00 0.00 C ATOM 318 O GLU A 20 -4.766 -5.505 -13.692 1.00 0.00 O ATOM 319 CB GLU A 20 -4.443 -4.702 -10.320 1.00 0.00 C ATOM 320 CG GLU A 20 -3.652 -3.709 -9.456 1.00 0.00 C ATOM 321 CD GLU A 20 -3.569 -4.179 -8.006 1.00 0.00 C ATOM 322 OE1 GLU A 20 -2.798 -5.131 -7.764 1.00 0.00 O ATOM 323 OE2 GLU A 20 -4.286 -3.585 -7.171 1.00 0.00 O ATOM 0 H GLU A 20 -5.934 -2.783 -10.657 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.785 -3.823 -12.156 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.382 -4.949 -9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.880 -5.630 -10.416 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.647 -3.592 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.128 -2.729 -9.496 1.00 0.00 H new ATOM 330 N LYS A 21 -6.509 -5.725 -12.286 1.00 0.00 N ATOM 331 CA LYS A 21 -7.103 -6.882 -12.949 1.00 0.00 C ATOM 332 C LYS A 21 -7.558 -6.605 -14.385 1.00 0.00 C ATOM 333 O LYS A 21 -7.401 -7.460 -15.253 1.00 0.00 O ATOM 334 CB LYS A 21 -8.282 -7.413 -12.122 1.00 0.00 C ATOM 335 CG LYS A 21 -7.835 -7.959 -10.759 1.00 0.00 C ATOM 336 CD LYS A 21 -9.026 -8.455 -9.923 1.00 0.00 C ATOM 337 CE LYS A 21 -9.790 -9.635 -10.542 1.00 0.00 C ATOM 338 NZ LYS A 21 -8.909 -10.781 -10.826 1.00 0.00 N ATOM 0 H LYS A 21 -7.068 -5.367 -11.512 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.315 -7.633 -13.015 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.007 -6.613 -11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.788 -8.201 -12.679 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.130 -8.777 -10.909 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.306 -7.179 -10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.665 -8.749 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.719 -7.627 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.583 -9.948 -9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.270 -9.311 -11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.483 -11.593 -11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.241 -10.526 -11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.380 -11.034 -9.967 1.00 0.00 H new ATOM 352 N SER A 22 -8.204 -5.462 -14.623 1.00 0.00 N ATOM 353 CA SER A 22 -8.832 -5.169 -15.904 1.00 0.00 C ATOM 354 C SER A 22 -7.767 -4.890 -16.963 1.00 0.00 C ATOM 355 O SER A 22 -7.809 -5.447 -18.056 1.00 0.00 O ATOM 356 CB SER A 22 -9.806 -3.993 -15.747 1.00 0.00 C ATOM 357 OG SER A 22 -10.587 -3.825 -16.913 1.00 0.00 O ATOM 0 H SER A 22 -8.304 -4.718 -13.933 1.00 0.00 H new ATOM 0 HA SER A 22 -9.404 -6.035 -16.238 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.457 -4.167 -14.890 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.249 -3.079 -15.543 1.00 0.00 H new ATOM 0 HG SER A 22 -11.393 -3.311 -16.696 1.00 0.00 H new ATOM 363 N THR A 23 -6.839 -3.986 -16.646 1.00 0.00 N ATOM 364 CA THR A 23 -5.658 -3.652 -17.436 1.00 0.00 C ATOM 365 C THR A 23 -5.908 -2.984 -18.800 1.00 0.00 C ATOM 366 O THR A 23 -5.056 -2.231 -19.268 1.00 0.00 O ATOM 367 CB THR A 23 -4.721 -4.870 -17.537 1.00 0.00 C ATOM 368 OG1 THR A 23 -4.864 -5.753 -16.437 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.252 -4.447 -17.625 1.00 0.00 C ATOM 0 H THR A 23 -6.896 -3.440 -15.786 1.00 0.00 H new ATOM 0 HA THR A 23 -5.165 -2.856 -16.878 1.00 0.00 H new ATOM 0 HB THR A 23 -5.012 -5.388 -18.451 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.754 -5.254 -15.601 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.622 -5.334 -17.695 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.104 -3.826 -18.509 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.983 -3.880 -16.734 1.00 0.00 H new ATOM 377 N ARG A 24 -7.046 -3.231 -19.452 1.00 0.00 N ATOM 378 CA ARG A 24 -7.394 -2.594 -20.711 1.00 0.00 C ATOM 379 C ARG A 24 -7.607 -1.083 -20.521 1.00 0.00 C ATOM 380 O ARG A 24 -7.528 -0.552 -19.414 1.00 0.00 O ATOM 381 CB ARG A 24 -8.663 -3.248 -21.287 1.00 0.00 C ATOM 382 CG ARG A 24 -8.549 -4.773 -21.425 1.00 0.00 C ATOM 383 CD ARG A 24 -9.694 -5.316 -22.288 1.00 0.00 C ATOM 384 NE ARG A 24 -9.631 -6.780 -22.384 1.00 0.00 N ATOM 385 CZ ARG A 24 -10.486 -7.538 -23.085 1.00 0.00 C ATOM 386 NH1 ARG A 24 -11.478 -6.971 -23.782 1.00 0.00 N ATOM 387 NH2 ARG A 24 -10.343 -8.867 -23.079 1.00 0.00 N ATOM 0 H ARG A 24 -7.753 -3.884 -19.114 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.570 -2.730 -21.412 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.510 -3.010 -20.644 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.874 -2.816 -22.265 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.591 -5.034 -21.874 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.576 -5.237 -20.439 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.651 -5.017 -21.860 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.641 -4.880 -23.286 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.882 -7.255 -21.880 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.587 -5.957 -23.782 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.125 -7.553 -24.313 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.588 -9.296 -22.544 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.989 -9.452 -23.609 1.00 0.00 H new ATOM 401 N LYS A 25 -8.018 -0.399 -21.593 1.00 0.00 N ATOM 402 CA LYS A 25 -8.447 0.999 -21.574 1.00 0.00 C ATOM 403 C LYS A 25 -9.443 1.304 -20.440 1.00 0.00 C ATOM 404 O LYS A 25 -9.563 2.457 -20.025 1.00 0.00 O ATOM 405 CB LYS A 25 -9.065 1.341 -22.938 1.00 0.00 C ATOM 406 CG LYS A 25 -9.139 2.856 -23.189 1.00 0.00 C ATOM 407 CD LYS A 25 -10.094 3.194 -24.343 1.00 0.00 C ATOM 408 CE LYS A 25 -11.496 3.582 -23.845 1.00 0.00 C ATOM 409 NZ LYS A 25 -12.122 2.526 -23.030 1.00 0.00 N ATOM 0 H LYS A 25 -8.062 -0.816 -22.523 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.571 1.619 -21.383 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.476 0.874 -23.727 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.068 0.917 -22.995 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.472 3.359 -22.281 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.143 3.236 -23.417 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.678 4.015 -24.927 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.172 2.336 -25.010 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.428 4.497 -23.257 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.134 3.801 -24.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.133 2.737 -22.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.016 1.609 -23.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.660 2.486 -22.099 1.00 0.00 H new ATOM 423 N ARG A 26 -10.134 0.276 -19.920 1.00 0.00 N ATOM 424 CA ARG A 26 -11.045 0.388 -18.791 1.00 0.00 C ATOM 425 C ARG A 26 -10.427 1.208 -17.667 1.00 0.00 C ATOM 426 O ARG A 26 -11.137 1.966 -17.013 1.00 0.00 O ATOM 427 CB ARG A 26 -11.395 -1.007 -18.250 1.00 0.00 C ATOM 428 CG ARG A 26 -12.531 -1.716 -19.003 1.00 0.00 C ATOM 429 CD ARG A 26 -13.820 -0.887 -19.105 1.00 0.00 C ATOM 430 NE ARG A 26 -14.138 -0.209 -17.839 1.00 0.00 N ATOM 431 CZ ARG A 26 -15.035 0.774 -17.691 1.00 0.00 C ATOM 432 NH1 ARG A 26 -15.809 1.148 -18.715 1.00 0.00 N ATOM 433 NH2 ARG A 26 -15.146 1.384 -16.507 1.00 0.00 N ATOM 0 H ARG A 26 -10.067 -0.673 -20.288 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.947 0.888 -19.144 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.503 -1.633 -18.291 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.673 -0.916 -17.200 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.189 -1.964 -20.008 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.755 -2.658 -18.501 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.713 -0.146 -19.897 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.648 -1.537 -19.387 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.634 -0.512 -17.006 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.719 0.683 -19.619 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.490 1.898 -18.593 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.551 1.099 -15.729 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.826 2.134 -16.382 1.00 0.00 H new ATOM 447 N LEU A 27 -9.122 1.060 -17.440 1.00 0.00 N ATOM 448 CA LEU A 27 -8.380 1.844 -16.466 1.00 0.00 C ATOM 449 C LEU A 27 -8.748 3.324 -16.530 1.00 0.00 C ATOM 450 O LEU A 27 -9.031 3.917 -15.494 1.00 0.00 O ATOM 451 CB LEU A 27 -6.876 1.640 -16.684 1.00 0.00 C ATOM 452 CG LEU A 27 -6.341 0.402 -15.952 1.00 0.00 C ATOM 453 CD1 LEU A 27 -7.240 -0.831 -16.097 1.00 0.00 C ATOM 454 CD2 LEU A 27 -4.926 0.089 -16.446 1.00 0.00 C ATOM 0 H LEU A 27 -8.546 0.381 -17.938 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.648 1.497 -15.468 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.676 1.542 -17.751 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.339 2.523 -16.339 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.328 0.642 -14.889 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.800 -1.668 -15.554 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.227 -0.612 -15.688 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.334 -1.091 -17.151 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.545 -0.790 -15.926 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.950 -0.105 -17.518 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.274 0.939 -16.245 1.00 0.00 H new ATOM 466 N ARG A 28 -8.763 3.921 -17.726 1.00 0.00 N ATOM 467 CA ARG A 28 -9.024 5.347 -17.867 1.00 0.00 C ATOM 468 C ARG A 28 -10.423 5.674 -17.341 1.00 0.00 C ATOM 469 O ARG A 28 -10.593 6.513 -16.452 1.00 0.00 O ATOM 470 CB ARG A 28 -8.872 5.781 -19.334 1.00 0.00 C ATOM 471 CG ARG A 28 -7.525 5.348 -19.931 1.00 0.00 C ATOM 472 CD ARG A 28 -7.187 6.142 -21.198 1.00 0.00 C ATOM 473 NE ARG A 28 -8.270 6.096 -22.191 1.00 0.00 N ATOM 474 CZ ARG A 28 -8.235 6.735 -23.369 1.00 0.00 C ATOM 475 NH1 ARG A 28 -7.134 7.397 -23.743 1.00 0.00 N ATOM 476 NH2 ARG A 28 -9.305 6.720 -24.170 1.00 0.00 N ATOM 0 H ARG A 28 -8.597 3.434 -18.607 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.294 5.901 -17.278 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.683 5.353 -19.923 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.966 6.865 -19.402 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.737 5.489 -19.192 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.556 4.284 -20.165 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.986 7.179 -20.931 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.274 5.744 -21.641 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.099 5.544 -21.970 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.318 7.416 -23.131 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.111 7.882 -24.640 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.148 6.222 -23.885 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.278 7.206 -25.066 1.00 0.00 H new ATOM 490 N ASP A 29 -11.424 4.988 -17.899 1.00 0.00 N ATOM 491 CA ASP A 29 -12.831 5.174 -17.576 1.00 0.00 C ATOM 492 C ASP A 29 -13.047 4.991 -16.076 1.00 0.00 C ATOM 493 O ASP A 29 -13.583 5.863 -15.391 1.00 0.00 O ATOM 494 CB ASP A 29 -13.677 4.156 -18.359 1.00 0.00 C ATOM 495 CG ASP A 29 -13.473 4.253 -19.865 1.00 0.00 C ATOM 496 OD1 ASP A 29 -12.399 3.796 -20.317 1.00 0.00 O ATOM 497 OD2 ASP A 29 -14.388 4.770 -20.540 1.00 0.00 O ATOM 0 H ASP A 29 -11.268 4.270 -18.606 1.00 0.00 H new ATOM 0 HA ASP A 29 -13.136 6.183 -17.855 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.425 3.149 -18.027 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.731 4.313 -18.129 1.00 0.00 H new ATOM 502 N THR A 30 -12.627 3.830 -15.577 1.00 0.00 N ATOM 503 CA THR A 30 -12.817 3.403 -14.202 1.00 0.00 C ATOM 504 C THR A 30 -12.129 4.386 -13.253 1.00 0.00 C ATOM 505 O THR A 30 -12.755 4.856 -12.306 1.00 0.00 O ATOM 506 CB THR A 30 -12.318 1.958 -14.035 1.00 0.00 C ATOM 507 OG1 THR A 30 -12.844 1.143 -15.063 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.785 1.345 -12.717 1.00 0.00 C ATOM 0 H THR A 30 -12.129 3.142 -16.142 1.00 0.00 H new ATOM 0 HA THR A 30 -13.877 3.407 -13.947 1.00 0.00 H new ATOM 0 HB THR A 30 -11.229 2.000 -14.065 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.295 1.238 -15.869 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.411 0.324 -12.638 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.403 1.937 -11.885 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.875 1.336 -12.686 1.00 0.00 H new ATOM 516 N LEU A 31 -10.862 4.730 -13.518 1.00 0.00 N ATOM 517 CA LEU A 31 -10.135 5.703 -12.713 1.00 0.00 C ATOM 518 C LEU A 31 -10.911 7.012 -12.671 1.00 0.00 C ATOM 519 O LEU A 31 -11.227 7.498 -11.588 1.00 0.00 O ATOM 520 CB LEU A 31 -8.705 5.887 -13.248 1.00 0.00 C ATOM 521 CG LEU A 31 -7.798 6.763 -12.362 1.00 0.00 C ATOM 522 CD1 LEU A 31 -6.334 6.415 -12.660 1.00 0.00 C ATOM 523 CD2 LEU A 31 -7.983 8.269 -12.602 1.00 0.00 C ATOM 0 H LEU A 31 -10.321 4.342 -14.291 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.043 5.338 -11.690 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.244 4.906 -13.360 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.757 6.330 -14.243 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.072 6.556 -11.328 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.681 7.028 -12.039 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.159 5.362 -12.441 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.121 6.608 -13.712 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.315 8.827 -11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.751 8.503 -13.641 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.015 8.547 -12.390 1.00 0.00 H new ATOM 535 N THR A 32 -11.226 7.583 -13.837 1.00 0.00 N ATOM 536 CA THR A 32 -11.881 8.884 -13.907 1.00 0.00 C ATOM 537 C THR A 32 -13.203 8.868 -13.133 1.00 0.00 C ATOM 538 O THR A 32 -13.435 9.714 -12.267 1.00 0.00 O ATOM 539 CB THR A 32 -12.079 9.296 -15.375 1.00 0.00 C ATOM 540 OG1 THR A 32 -10.842 9.231 -16.055 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.602 10.731 -15.485 1.00 0.00 C ATOM 0 H THR A 32 -11.036 7.160 -14.745 1.00 0.00 H new ATOM 0 HA THR A 32 -11.243 9.631 -13.435 1.00 0.00 H new ATOM 0 HB THR A 32 -12.805 8.613 -15.815 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.668 8.306 -16.329 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.731 10.992 -16.535 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.560 10.809 -14.971 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.887 11.415 -15.027 1.00 0.00 H new ATOM 549 N SER A 33 -14.074 7.905 -13.447 1.00 0.00 N ATOM 550 CA SER A 33 -15.380 7.804 -12.815 1.00 0.00 C ATOM 551 C SER A 33 -15.238 7.640 -11.301 1.00 0.00 C ATOM 552 O SER A 33 -15.822 8.416 -10.541 1.00 0.00 O ATOM 553 CB SER A 33 -16.196 6.669 -13.443 1.00 0.00 C ATOM 554 OG SER A 33 -15.477 5.453 -13.424 1.00 0.00 O ATOM 0 H SER A 33 -13.890 7.181 -14.142 1.00 0.00 H new ATOM 0 HA SER A 33 -15.926 8.731 -12.988 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.134 6.549 -12.901 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.452 6.927 -14.470 1.00 0.00 H new ATOM 0 HG SER A 33 -14.807 5.458 -14.139 1.00 0.00 H new ATOM 560 N GLU A 34 -14.465 6.644 -10.858 1.00 0.00 N ATOM 561 CA GLU A 34 -14.341 6.373 -9.435 1.00 0.00 C ATOM 562 C GLU A 34 -13.712 7.566 -8.713 1.00 0.00 C ATOM 563 O GLU A 34 -14.194 7.965 -7.659 1.00 0.00 O ATOM 564 CB GLU A 34 -13.569 5.074 -9.168 1.00 0.00 C ATOM 565 CG GLU A 34 -14.002 4.492 -7.812 1.00 0.00 C ATOM 566 CD GLU A 34 -15.227 3.592 -7.955 1.00 0.00 C ATOM 567 OE1 GLU A 34 -16.348 4.146 -7.963 1.00 0.00 O ATOM 568 OE2 GLU A 34 -15.016 2.366 -8.083 1.00 0.00 O ATOM 0 H GLU A 34 -13.925 6.023 -11.460 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.344 6.228 -9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.761 4.354 -9.963 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.497 5.269 -9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.179 3.922 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.225 5.305 -7.121 1.00 0.00 H new ATOM 575 N LYS A 35 -12.655 8.158 -9.278 1.00 0.00 N ATOM 576 CA LYS A 35 -12.055 9.370 -8.735 1.00 0.00 C ATOM 577 C LYS A 35 -13.125 10.449 -8.563 1.00 0.00 C ATOM 578 O LYS A 35 -13.254 11.023 -7.483 1.00 0.00 O ATOM 579 CB LYS A 35 -10.910 9.839 -9.644 1.00 0.00 C ATOM 580 CG LYS A 35 -10.283 11.152 -9.159 1.00 0.00 C ATOM 581 CD LYS A 35 -9.055 11.480 -10.014 1.00 0.00 C ATOM 582 CE LYS A 35 -8.424 12.823 -9.625 1.00 0.00 C ATOM 583 NZ LYS A 35 -9.298 13.962 -9.962 1.00 0.00 N ATOM 0 H LYS A 35 -12.197 7.809 -10.120 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.633 9.163 -7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.143 9.066 -9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.285 9.971 -10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.011 11.961 -9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.997 11.065 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.315 10.687 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.342 11.506 -11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.216 12.830 -8.555 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.468 12.936 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.834 14.850 -9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.476 13.972 -10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.201 13.869 -9.455 1.00 0.00 H new ATOM 597 N SER A 36 -13.894 10.719 -9.622 1.00 0.00 N ATOM 598 CA SER A 36 -14.956 11.714 -9.573 1.00 0.00 C ATOM 599 C SER A 36 -15.932 11.408 -8.434 1.00 0.00 C ATOM 600 O SER A 36 -16.190 12.278 -7.604 1.00 0.00 O ATOM 601 CB SER A 36 -15.673 11.807 -10.923 1.00 0.00 C ATOM 602 OG SER A 36 -14.746 12.117 -11.944 1.00 0.00 O ATOM 0 H SER A 36 -13.796 10.257 -10.526 1.00 0.00 H new ATOM 0 HA SER A 36 -14.510 12.688 -9.370 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.169 10.863 -11.146 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.448 12.572 -10.880 1.00 0.00 H new ATOM 0 HG SER A 36 -14.219 11.320 -12.161 1.00 0.00 H new ATOM 608 N LYS A 37 -16.461 10.180 -8.378 1.00 0.00 N ATOM 609 CA LYS A 37 -17.327 9.738 -7.293 1.00 0.00 C ATOM 610 C LYS A 37 -16.688 10.020 -5.934 1.00 0.00 C ATOM 611 O LYS A 37 -17.273 10.736 -5.125 1.00 0.00 O ATOM 612 CB LYS A 37 -17.652 8.243 -7.426 1.00 0.00 C ATOM 613 CG LYS A 37 -18.623 7.908 -8.567 1.00 0.00 C ATOM 614 CD LYS A 37 -20.014 8.553 -8.440 1.00 0.00 C ATOM 615 CE LYS A 37 -20.652 8.404 -7.051 1.00 0.00 C ATOM 616 NZ LYS A 37 -20.707 7.000 -6.608 1.00 0.00 N ATOM 0 H LYS A 37 -16.296 9.467 -9.089 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.257 10.302 -7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.724 7.693 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.078 7.890 -6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.176 8.223 -9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.743 6.826 -8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.934 9.613 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.677 8.109 -9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.083 8.989 -6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -21.661 8.816 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -21.591 6.835 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.673 6.373 -7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.896 6.799 -5.989 1.00 0.00 H new ATOM 630 N ILE A 38 -15.496 9.472 -5.685 1.00 0.00 N ATOM 631 CA ILE A 38 -14.802 9.605 -4.410 1.00 0.00 C ATOM 632 C ILE A 38 -14.689 11.082 -4.029 1.00 0.00 C ATOM 633 O ILE A 38 -15.111 11.472 -2.941 1.00 0.00 O ATOM 634 CB ILE A 38 -13.437 8.888 -4.461 1.00 0.00 C ATOM 635 CG1 ILE A 38 -13.667 7.365 -4.505 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.566 9.248 -3.245 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.414 6.574 -4.899 1.00 0.00 C ATOM 0 H ILE A 38 -14.984 8.919 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.378 9.116 -3.624 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.909 9.215 -5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.008 7.028 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.465 7.145 -5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.612 8.725 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.390 10.324 -3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.078 8.950 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.645 5.509 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.084 6.885 -5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.621 6.765 -4.176 1.00 0.00 H new ATOM 649 N GLU A 39 -14.136 11.908 -4.922 1.00 0.00 N ATOM 650 CA GLU A 39 -13.974 13.333 -4.673 1.00 0.00 C ATOM 651 C GLU A 39 -15.320 14.004 -4.382 1.00 0.00 C ATOM 652 O GLU A 39 -15.432 14.773 -3.432 1.00 0.00 O ATOM 653 CB GLU A 39 -13.254 13.989 -5.855 1.00 0.00 C ATOM 654 CG GLU A 39 -11.783 13.547 -5.892 1.00 0.00 C ATOM 655 CD GLU A 39 -11.020 14.165 -7.061 1.00 0.00 C ATOM 656 OE1 GLU A 39 -11.611 14.239 -8.161 1.00 0.00 O ATOM 657 OE2 GLU A 39 -9.849 14.541 -6.841 1.00 0.00 O ATOM 0 H GLU A 39 -13.791 11.604 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.359 13.466 -3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.747 13.715 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.313 15.074 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.299 13.827 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.734 12.460 -5.963 1.00 0.00 H new ATOM 664 N THR A 40 -16.345 13.715 -5.184 1.00 0.00 N ATOM 665 CA THR A 40 -17.680 14.275 -5.005 1.00 0.00 C ATOM 666 C THR A 40 -18.239 13.917 -3.621 1.00 0.00 C ATOM 667 O THR A 40 -18.699 14.788 -2.881 1.00 0.00 O ATOM 668 CB THR A 40 -18.583 13.780 -6.146 1.00 0.00 C ATOM 669 OG1 THR A 40 -18.057 14.234 -7.375 1.00 0.00 O ATOM 670 CG2 THR A 40 -20.021 14.286 -6.046 1.00 0.00 C ATOM 0 H THR A 40 -16.269 13.082 -5.980 1.00 0.00 H new ATOM 0 HA THR A 40 -17.638 15.363 -5.047 1.00 0.00 H new ATOM 0 HB THR A 40 -18.604 12.692 -6.076 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.396 13.590 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.602 13.898 -6.883 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.462 13.946 -5.109 1.00 0.00 H new ATOM 0 HG23 THR A 40 -20.026 15.376 -6.075 1.00 0.00 H new ATOM 678 N GLU A 41 -18.211 12.630 -3.275 1.00 0.00 N ATOM 679 CA GLU A 41 -18.730 12.116 -2.018 1.00 0.00 C ATOM 680 C GLU A 41 -17.975 12.745 -0.845 1.00 0.00 C ATOM 681 O GLU A 41 -18.590 13.274 0.080 1.00 0.00 O ATOM 682 CB GLU A 41 -18.619 10.586 -2.034 1.00 0.00 C ATOM 683 CG GLU A 41 -19.584 9.979 -3.070 1.00 0.00 C ATOM 684 CD GLU A 41 -19.284 8.518 -3.403 1.00 0.00 C ATOM 685 OE1 GLU A 41 -18.089 8.154 -3.406 1.00 0.00 O ATOM 686 OE2 GLU A 41 -20.266 7.794 -3.681 1.00 0.00 O ATOM 0 H GLU A 41 -17.818 11.905 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.780 12.381 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.595 10.293 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.845 10.190 -1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.604 10.055 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.538 10.568 -3.986 1.00 0.00 H new ATOM 693 N LEU A 42 -16.642 12.727 -0.903 1.00 0.00 N ATOM 694 CA LEU A 42 -15.777 13.376 0.073 1.00 0.00 C ATOM 695 C LEU A 42 -16.166 14.853 0.243 1.00 0.00 C ATOM 696 O LEU A 42 -16.462 15.300 1.351 1.00 0.00 O ATOM 697 CB LEU A 42 -14.322 13.181 -0.380 1.00 0.00 C ATOM 698 CG LEU A 42 -13.280 13.884 0.501 1.00 0.00 C ATOM 699 CD1 LEU A 42 -13.301 13.342 1.934 1.00 0.00 C ATOM 700 CD2 LEU A 42 -11.888 13.676 -0.103 1.00 0.00 C ATOM 0 H LEU A 42 -16.128 12.251 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.893 12.927 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.101 12.114 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.221 13.547 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.522 14.946 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.551 13.862 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.287 13.504 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.080 12.275 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.144 14.173 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.667 12.610 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.861 14.097 -1.108 1.00 0.00 H new ATOM 712 N LYS A 43 -16.178 15.610 -0.857 1.00 0.00 N ATOM 713 CA LYS A 43 -16.489 17.033 -0.835 1.00 0.00 C ATOM 714 C LYS A 43 -17.904 17.285 -0.311 1.00 0.00 C ATOM 715 O LYS A 43 -18.144 18.289 0.355 1.00 0.00 O ATOM 716 CB LYS A 43 -16.267 17.642 -2.227 1.00 0.00 C ATOM 717 CG LYS A 43 -16.530 19.157 -2.299 1.00 0.00 C ATOM 718 CD LYS A 43 -15.681 19.958 -1.298 1.00 0.00 C ATOM 719 CE LYS A 43 -15.907 21.468 -1.428 1.00 0.00 C ATOM 720 NZ LYS A 43 -15.442 21.995 -2.723 1.00 0.00 N ATOM 0 H LYS A 43 -15.971 15.248 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.810 17.530 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.241 17.447 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.918 17.137 -2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.321 19.510 -3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.586 19.347 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.923 19.642 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.626 19.735 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.969 21.685 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.385 21.982 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.474 23.034 -2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.465 21.681 -2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.058 21.642 -3.483 1.00 0.00 H new ATOM 734 N ASN A 44 -18.857 16.393 -0.590 1.00 0.00 N ATOM 735 CA ASN A 44 -20.159 16.472 0.058 1.00 0.00 C ATOM 736 C ASN A 44 -19.975 16.326 1.566 1.00 0.00 C ATOM 737 O ASN A 44 -20.321 17.231 2.319 1.00 0.00 O ATOM 738 CB ASN A 44 -21.140 15.428 -0.494 1.00 0.00 C ATOM 739 CG ASN A 44 -21.895 15.961 -1.704 1.00 0.00 C ATOM 740 OD1 ASN A 44 -23.053 16.349 -1.600 1.00 0.00 O ATOM 741 ND2 ASN A 44 -21.244 15.999 -2.862 1.00 0.00 N ATOM 0 H ASN A 44 -18.751 15.622 -1.249 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.599 17.445 -0.157 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -20.595 14.526 -0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -21.849 15.146 0.284 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.708 16.358 -3.696 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.280 15.669 -2.916 1.00 0.00 H new ATOM 748 N LYS A 45 -19.412 15.206 2.022 1.00 0.00 N ATOM 749 CA LYS A 45 -19.270 14.929 3.448 1.00 0.00 C ATOM 750 C LYS A 45 -18.545 16.054 4.196 1.00 0.00 C ATOM 751 O LYS A 45 -18.865 16.306 5.354 1.00 0.00 O ATOM 752 CB LYS A 45 -18.620 13.554 3.670 1.00 0.00 C ATOM 753 CG LYS A 45 -19.677 12.450 3.834 1.00 0.00 C ATOM 754 CD LYS A 45 -20.608 12.324 2.620 1.00 0.00 C ATOM 755 CE LYS A 45 -21.766 11.360 2.894 1.00 0.00 C ATOM 756 NZ LYS A 45 -22.789 11.464 1.839 1.00 0.00 N ATOM 0 H LYS A 45 -19.045 14.472 1.417 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.270 14.893 3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.972 13.316 2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.988 13.588 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.175 11.497 4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.274 12.656 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -21.005 13.306 2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.039 11.974 1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.391 10.338 2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.211 11.584 3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.566 10.803 2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.160 12.435 1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.365 11.227 0.919 1.00 0.00 H new ATOM 770 N MET A 46 -17.606 16.750 3.548 1.00 0.00 N ATOM 771 CA MET A 46 -16.995 17.939 4.128 1.00 0.00 C ATOM 772 C MET A 46 -18.033 18.974 4.595 1.00 0.00 C ATOM 773 O MET A 46 -17.903 19.483 5.707 1.00 0.00 O ATOM 774 CB MET A 46 -15.996 18.563 3.148 1.00 0.00 C ATOM 775 CG MET A 46 -14.704 17.747 3.066 1.00 0.00 C ATOM 776 SD MET A 46 -13.535 18.335 1.815 1.00 0.00 S ATOM 777 CE MET A 46 -12.155 17.224 2.162 1.00 0.00 C ATOM 0 H MET A 46 -17.256 16.507 2.622 1.00 0.00 H new ATOM 0 HA MET A 46 -16.458 17.618 5.020 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.449 18.629 2.159 1.00 0.00 H new ATOM 0 HB3 MET A 46 -15.765 19.581 3.462 1.00 0.00 H new ATOM 0 HG2 MET A 46 -14.215 17.762 4.040 1.00 0.00 H new ATOM 0 HG3 MET A 46 -14.956 16.708 2.852 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.423 17.290 1.357 1.00 0.00 H new ATOM 0 HE2 MET A 46 -11.686 17.510 3.104 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.522 16.200 2.235 1.00 0.00 H new ATOM 787 N GLN A 47 -19.035 19.319 3.771 1.00 0.00 N ATOM 788 CA GLN A 47 -19.985 20.388 4.104 1.00 0.00 C ATOM 789 C GLN A 47 -21.258 20.362 3.248 1.00 0.00 C ATOM 790 O GLN A 47 -21.669 21.390 2.709 1.00 0.00 O ATOM 791 CB GLN A 47 -19.290 21.775 4.104 1.00 0.00 C ATOM 792 CG GLN A 47 -18.919 22.403 2.745 1.00 0.00 C ATOM 793 CD GLN A 47 -18.373 21.397 1.742 1.00 0.00 C ATOM 794 OE1 GLN A 47 -17.165 21.218 1.623 1.00 0.00 O ATOM 795 NE2 GLN A 47 -19.259 20.729 1.012 1.00 0.00 N ATOM 0 H GLN A 47 -19.207 18.872 2.870 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.329 20.195 5.120 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -19.942 22.474 4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.376 21.690 4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -19.801 22.884 2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.176 23.185 2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -20.256 20.902 1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.942 20.043 0.327 1.00 0.00 H new ATOM 804 N GLN A 48 -21.904 19.205 3.090 1.00 0.00 N ATOM 805 CA GLN A 48 -23.149 19.120 2.339 1.00 0.00 C ATOM 806 C GLN A 48 -24.286 19.775 3.123 1.00 0.00 C ATOM 807 O GLN A 48 -25.071 19.093 3.781 1.00 0.00 O ATOM 808 CB GLN A 48 -23.475 17.685 1.881 1.00 0.00 C ATOM 809 CG GLN A 48 -23.511 16.598 2.969 1.00 0.00 C ATOM 810 CD GLN A 48 -24.101 15.299 2.425 1.00 0.00 C ATOM 811 OE1 GLN A 48 -23.400 14.303 2.272 1.00 0.00 O ATOM 812 NE2 GLN A 48 -25.398 15.285 2.131 1.00 0.00 N ATOM 0 H GLN A 48 -21.582 18.316 3.474 1.00 0.00 H new ATOM 0 HA GLN A 48 -23.022 19.682 1.414 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -24.445 17.700 1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -22.738 17.392 1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -22.502 16.416 3.340 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.104 16.945 3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.961 16.125 2.266 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.830 14.434 1.770 1.00 0.00 H new ATOM 821 N LYS A 49 -24.390 21.105 3.037 1.00 0.00 N ATOM 822 CA LYS A 49 -25.528 21.866 3.538 1.00 0.00 C ATOM 823 C LYS A 49 -26.763 21.453 2.726 1.00 0.00 C ATOM 824 O LYS A 49 -27.194 22.134 1.799 1.00 0.00 O ATOM 825 CB LYS A 49 -25.208 23.372 3.488 1.00 0.00 C ATOM 826 CG LYS A 49 -26.015 24.213 4.494 1.00 0.00 C ATOM 827 CD LYS A 49 -27.518 24.343 4.197 1.00 0.00 C ATOM 828 CE LYS A 49 -27.833 25.116 2.908 1.00 0.00 C ATOM 829 NZ LYS A 49 -27.342 26.504 2.957 1.00 0.00 N ATOM 0 H LYS A 49 -23.671 21.688 2.609 1.00 0.00 H new ATOM 0 HA LYS A 49 -25.740 21.650 4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -24.145 23.514 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -25.402 23.742 2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -25.895 23.775 5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -25.583 25.213 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.952 23.346 4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -28.002 24.842 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -27.382 24.603 2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -28.910 25.119 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -27.693 27.026 2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -27.684 26.963 3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -26.302 26.505 2.952 1.00 0.00 H new ATOM 843 N SER A 50 -27.311 20.288 3.064 1.00 0.00 N ATOM 844 CA SER A 50 -28.369 19.608 2.344 1.00 0.00 C ATOM 845 C SER A 50 -29.700 20.272 2.696 1.00 0.00 C ATOM 846 O SER A 50 -30.522 19.682 3.394 1.00 0.00 O ATOM 847 CB SER A 50 -28.330 18.119 2.720 1.00 0.00 C ATOM 848 OG SER A 50 -27.030 17.586 2.509 1.00 0.00 O ATOM 0 H SER A 50 -27.009 19.772 3.890 1.00 0.00 H new ATOM 0 HA SER A 50 -28.241 19.681 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 50 -28.615 17.994 3.765 1.00 0.00 H new ATOM 0 HB3 SER A 50 -29.057 17.568 2.123 1.00 0.00 H new ATOM 0 HG SER A 50 -26.390 18.043 3.094 1.00 0.00 H new ATOM 854 N GLN A 51 -29.867 21.527 2.266 1.00 0.00 N ATOM 855 CA GLN A 51 -30.941 22.448 2.634 1.00 0.00 C ATOM 856 C GLN A 51 -30.820 22.884 4.098 1.00 0.00 C ATOM 857 O GLN A 51 -30.825 24.083 4.374 1.00 0.00 O ATOM 858 CB GLN A 51 -32.338 21.903 2.279 1.00 0.00 C ATOM 859 CG GLN A 51 -33.482 22.862 2.650 1.00 0.00 C ATOM 860 CD GLN A 51 -33.401 24.214 1.943 1.00 0.00 C ATOM 861 OE1 GLN A 51 -34.053 24.428 0.929 1.00 0.00 O ATOM 862 NE2 GLN A 51 -32.619 25.149 2.478 1.00 0.00 N ATOM 0 H GLN A 51 -29.212 21.951 1.609 1.00 0.00 H new ATOM 0 HA GLN A 51 -30.822 23.345 2.027 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -32.379 21.698 1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -32.490 20.953 2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -34.434 22.390 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -33.474 23.024 3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -32.086 24.945 3.323 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -32.553 26.069 2.043 1.00 0.00 H new ATOM 871 N LYS A 52 -30.725 21.927 5.022 1.00 0.00 N ATOM 872 CA LYS A 52 -30.396 22.145 6.421 1.00 0.00 C ATOM 873 C LYS A 52 -28.986 21.598 6.677 1.00 0.00 C ATOM 874 O LYS A 52 -28.307 21.148 5.752 1.00 0.00 O ATOM 875 CB LYS A 52 -31.442 21.449 7.307 1.00 0.00 C ATOM 876 CG LYS A 52 -32.891 21.844 6.980 1.00 0.00 C ATOM 877 CD LYS A 52 -33.144 23.347 7.154 1.00 0.00 C ATOM 878 CE LYS A 52 -34.629 23.667 6.949 1.00 0.00 C ATOM 879 NZ LYS A 52 -34.892 25.109 7.087 1.00 0.00 N ATOM 0 H LYS A 52 -30.882 20.943 4.803 1.00 0.00 H new ATOM 0 HA LYS A 52 -30.410 23.208 6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -31.336 20.370 7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -31.237 21.687 8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -33.120 21.557 5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -33.570 21.287 7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -32.832 23.662 8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -32.543 23.909 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -34.942 23.332 5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -35.225 23.116 7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -35.905 25.292 6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -34.616 25.423 8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -34.341 25.632 6.377 1.00 0.00 H new ATOM 893 N LYS A 53 -28.538 21.623 7.934 1.00 0.00 N ATOM 894 CA LYS A 53 -27.303 20.957 8.321 1.00 0.00 C ATOM 895 C LYS A 53 -27.498 19.441 8.171 1.00 0.00 C ATOM 896 O LYS A 53 -28.570 18.937 8.511 1.00 0.00 O ATOM 897 CB LYS A 53 -26.945 21.313 9.772 1.00 0.00 C ATOM 898 CG LYS A 53 -26.837 22.821 10.046 1.00 0.00 C ATOM 899 CD LYS A 53 -25.744 23.499 9.210 1.00 0.00 C ATOM 900 CE LYS A 53 -25.574 24.958 9.646 1.00 0.00 C ATOM 901 NZ LYS A 53 -24.539 25.641 8.849 1.00 0.00 N ATOM 0 H LYS A 53 -29.016 22.099 8.699 1.00 0.00 H new ATOM 0 HA LYS A 53 -26.484 21.285 7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -27.699 20.889 10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -25.996 20.841 10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.796 23.294 9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -26.630 22.980 11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -24.801 22.964 9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -26.005 23.456 8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -26.523 25.484 9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -25.305 24.995 10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -24.448 26.626 9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -23.629 25.153 8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -24.808 25.627 7.845 1.00 0.00 H new ATOM 915 N PRO A 54 -26.491 18.697 7.684 1.00 0.00 N ATOM 916 CA PRO A 54 -26.584 17.256 7.496 1.00 0.00 C ATOM 917 C PRO A 54 -26.470 16.535 8.846 1.00 0.00 C ATOM 918 O PRO A 54 -25.515 15.805 9.103 1.00 0.00 O ATOM 919 CB PRO A 54 -25.440 16.919 6.531 1.00 0.00 C ATOM 920 CG PRO A 54 -24.377 17.959 6.887 1.00 0.00 C ATOM 921 CD PRO A 54 -25.207 19.197 7.218 1.00 0.00 C ATOM 0 HA PRO A 54 -27.540 16.931 7.085 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -25.075 15.902 6.676 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -25.752 17.000 5.490 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -23.769 17.642 7.735 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -23.695 18.140 6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -24.721 19.801 7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -25.329 19.832 6.341 1.00 0.00 H new ATOM 929 N GLU A 55 -27.454 16.738 9.725 1.00 0.00 N ATOM 930 CA GLU A 55 -27.487 16.118 11.040 1.00 0.00 C ATOM 931 C GLU A 55 -27.499 14.595 10.891 1.00 0.00 C ATOM 932 O GLU A 55 -28.524 14.011 10.542 1.00 0.00 O ATOM 933 CB GLU A 55 -28.701 16.650 11.816 1.00 0.00 C ATOM 934 CG GLU A 55 -28.701 16.187 13.278 1.00 0.00 C ATOM 935 CD GLU A 55 -29.863 16.804 14.048 1.00 0.00 C ATOM 936 OE1 GLU A 55 -30.975 16.242 13.944 1.00 0.00 O ATOM 937 OE2 GLU A 55 -29.621 17.832 14.717 1.00 0.00 O ATOM 0 H GLU A 55 -28.254 17.343 9.537 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.595 16.374 11.611 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.703 17.739 11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -29.617 16.314 11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -28.770 15.100 13.319 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -27.759 16.465 13.751 1.00 0.00 H new TER 944 GLU A 55