USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 25 ASN : amide:sc= -4.15! C(o=-7.5!,f=-1.4!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -153:sc= -3.35! (180deg=0) USER MOD Single : A 1 MET CE :methyl -177:sc= -0.547 (180deg=-0.594) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.446 (180deg=-1.07) USER MOD Single : A 2 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.42) USER MOD Single : A 7 THR OG1 : rot 148:sc= -0.608 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -114:sc= 0.297 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0365 X(o=-0.036,f=-0.51) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0341) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 41 GLN : amide:sc= 0.086 K(o=0.086,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0109 K(o=0.011,f=-1.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0731 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -49:sc= 0.0439 USER MOD Single : A 60 ASN : amide:sc= -0.323 K(o=-0.32,f=0.25) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 54:sc= -1.17 USER MOD Single : A 68 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.214 -5.780 4.617 1.00 0.00 N ATOM 2 CA MET A 1 -12.309 -5.163 5.928 1.00 0.00 C ATOM 3 C MET A 1 -11.555 -3.832 5.964 1.00 0.00 C ATOM 4 O MET A 1 -11.134 -3.325 4.925 1.00 0.00 O ATOM 5 CB MET A 1 -11.727 -6.108 6.981 1.00 0.00 C ATOM 6 CG MET A 1 -10.244 -6.379 6.714 1.00 0.00 C ATOM 7 SD MET A 1 -9.617 -7.563 7.894 1.00 0.00 S ATOM 8 CE MET A 1 -10.169 -9.080 7.132 1.00 0.00 C ATOM 0 H1 MET A 1 -12.520 -6.772 4.677 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.825 -5.269 3.948 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.229 -5.741 4.286 1.00 0.00 H new ATOM 0 HA MET A 1 -13.360 -4.970 6.142 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.848 -5.672 7.973 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.279 -7.048 6.976 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.112 -6.758 5.701 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.678 -5.450 6.783 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.906 -9.924 7.770 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.250 -9.048 7.000 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.688 -9.195 6.161 1.00 0.00 H new ATOM 18 N GLN A 2 -11.408 -3.303 7.169 1.00 0.00 N ATOM 19 CA GLN A 2 -10.712 -2.041 7.354 1.00 0.00 C ATOM 20 C GLN A 2 -9.219 -2.286 7.584 1.00 0.00 C ATOM 21 O GLN A 2 -8.833 -3.323 8.120 1.00 0.00 O ATOM 22 CB GLN A 2 -11.321 -1.243 8.509 1.00 0.00 C ATOM 23 CG GLN A 2 -10.549 0.058 8.743 1.00 0.00 C ATOM 24 CD GLN A 2 -11.398 1.067 9.518 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.947 2.008 8.967 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.475 0.821 10.822 1.00 0.00 N ATOM 0 H GLN A 2 -11.759 -3.726 8.028 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.827 -1.449 6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.364 -1.017 8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.310 -1.845 9.418 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.633 -0.153 9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.252 0.486 7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.991 0.016 11.219 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.018 1.438 11.426 1.00 0.00 H new ATOM 35 N ILE A 3 -8.421 -1.314 7.165 1.00 0.00 N ATOM 36 CA ILE A 3 -6.980 -1.412 7.320 1.00 0.00 C ATOM 37 C ILE A 3 -6.404 -0.019 7.585 1.00 0.00 C ATOM 38 O ILE A 3 -7.054 0.988 7.307 1.00 0.00 O ATOM 39 CB ILE A 3 -6.358 -2.114 6.110 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.580 -1.302 4.832 1.00 0.00 C ATOM 41 CG2 ILE A 3 -6.882 -3.545 5.977 1.00 0.00 C ATOM 42 CD1 ILE A 3 -7.913 -1.664 4.176 1.00 0.00 C ATOM 0 H ILE A 3 -8.745 -0.456 6.719 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.731 -2.030 8.182 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.282 -2.179 6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.563 -0.238 5.066 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.765 -1.488 4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.424 -4.021 5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.631 -4.109 6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.965 -3.526 5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.045 -1.072 3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.917 -2.724 3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.728 -1.454 4.869 1.00 0.00 H new ATOM 54 N PHE A 4 -5.192 -0.008 8.119 1.00 0.00 N ATOM 55 CA PHE A 4 -4.522 1.245 8.425 1.00 0.00 C ATOM 56 C PHE A 4 -3.217 1.376 7.636 1.00 0.00 C ATOM 57 O PHE A 4 -2.220 0.736 7.967 1.00 0.00 O ATOM 58 CB PHE A 4 -4.199 1.226 9.920 1.00 0.00 C ATOM 59 CG PHE A 4 -5.410 1.478 10.821 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.513 0.688 10.715 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.384 2.491 11.728 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.637 0.923 11.551 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.508 2.724 12.564 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.610 1.935 12.458 1.00 0.00 C ATOM 0 H PHE A 4 -4.657 -0.846 8.348 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.164 2.085 8.157 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.764 0.260 10.175 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.441 1.982 10.127 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.534 -0.117 9.996 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.509 3.118 11.812 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.513 0.297 11.466 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.487 3.528 13.284 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.464 2.112 13.095 1.00 0.00 H new ATOM 74 N VAL A 5 -3.267 2.209 6.607 1.00 0.00 N ATOM 75 CA VAL A 5 -2.101 2.432 5.768 1.00 0.00 C ATOM 76 C VAL A 5 -1.312 3.628 6.305 1.00 0.00 C ATOM 77 O VAL A 5 -1.899 4.609 6.759 1.00 0.00 O ATOM 78 CB VAL A 5 -2.532 2.606 4.310 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.202 3.963 4.095 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.344 2.424 3.363 1.00 0.00 C ATOM 0 H VAL A 5 -4.096 2.738 6.335 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.439 1.567 5.797 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.264 1.832 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.499 4.061 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.084 4.038 4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.502 4.759 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.677 2.553 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.579 3.166 3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.929 1.424 3.488 1.00 0.00 H new ATOM 90 N LYS A 6 0.005 3.507 6.237 1.00 0.00 N ATOM 91 CA LYS A 6 0.880 4.565 6.711 1.00 0.00 C ATOM 92 C LYS A 6 1.509 5.277 5.511 1.00 0.00 C ATOM 93 O LYS A 6 1.693 4.675 4.454 1.00 0.00 O ATOM 94 CB LYS A 6 1.904 4.011 7.703 1.00 0.00 C ATOM 95 CG LYS A 6 1.462 4.265 9.146 1.00 0.00 C ATOM 96 CD LYS A 6 0.497 3.178 9.623 1.00 0.00 C ATOM 97 CE LYS A 6 1.258 1.926 10.066 1.00 0.00 C ATOM 98 NZ LYS A 6 0.982 1.629 11.489 1.00 0.00 N ATOM 0 H LYS A 6 0.488 2.691 5.860 1.00 0.00 H new ATOM 0 HA LYS A 6 0.309 5.312 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.031 2.941 7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.874 4.477 7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.335 4.293 9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.980 5.240 9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.102 3.556 10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.195 2.923 8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.965 1.077 9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.328 2.073 9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.506 0.777 11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.283 2.433 12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.037 1.468 11.619 1.00 0.00 H new ATOM 112 N THR A 7 1.821 6.548 5.714 1.00 0.00 N ATOM 113 CA THR A 7 2.426 7.348 4.662 1.00 0.00 C ATOM 114 C THR A 7 3.936 7.462 4.880 1.00 0.00 C ATOM 115 O THR A 7 4.433 7.182 5.970 1.00 0.00 O ATOM 116 CB THR A 7 1.712 8.701 4.628 1.00 0.00 C ATOM 117 OG1 THR A 7 2.050 9.303 5.875 1.00 0.00 O ATOM 118 CG2 THR A 7 0.190 8.563 4.681 1.00 0.00 C ATOM 0 H THR A 7 1.666 7.044 6.592 1.00 0.00 H new ATOM 0 HA THR A 7 2.306 6.876 3.687 1.00 0.00 H new ATOM 0 HB THR A 7 1.995 9.238 3.722 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.101 10.276 5.766 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.266 9.553 4.654 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.153 7.982 3.825 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.098 8.056 5.602 1.00 0.00 H new ATOM 126 N LEU A 8 4.624 7.872 3.825 1.00 0.00 N ATOM 127 CA LEU A 8 6.068 8.027 3.887 1.00 0.00 C ATOM 128 C LEU A 8 6.414 9.163 4.853 1.00 0.00 C ATOM 129 O LEU A 8 7.585 9.397 5.147 1.00 0.00 O ATOM 130 CB LEU A 8 6.647 8.216 2.484 1.00 0.00 C ATOM 131 CG LEU A 8 8.008 7.564 2.226 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.010 6.805 0.898 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.133 8.597 2.298 1.00 0.00 C ATOM 0 H LEU A 8 4.209 8.102 2.922 1.00 0.00 H new ATOM 0 HA LEU A 8 6.532 7.122 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.934 7.819 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.736 9.285 2.290 1.00 0.00 H new ATOM 0 HG LEU A 8 8.191 6.833 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.989 6.352 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.249 6.025 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.794 7.496 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.089 8.108 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.967 9.369 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.146 9.052 3.288 1.00 0.00 H new ATOM 145 N THR A 9 5.374 9.838 5.320 1.00 0.00 N ATOM 146 CA THR A 9 5.553 10.943 6.246 1.00 0.00 C ATOM 147 C THR A 9 5.313 10.477 7.683 1.00 0.00 C ATOM 148 O THR A 9 5.769 11.116 8.631 1.00 0.00 O ATOM 149 CB THR A 9 4.624 12.078 5.812 1.00 0.00 C ATOM 150 OG1 THR A 9 5.352 12.750 4.786 1.00 0.00 O ATOM 151 CG2 THR A 9 4.449 13.140 6.900 1.00 0.00 C ATOM 0 H THR A 9 4.404 9.641 5.074 1.00 0.00 H new ATOM 0 HA THR A 9 6.577 11.316 6.225 1.00 0.00 H new ATOM 0 HB THR A 9 3.650 11.667 5.545 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.821 13.500 4.446 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.781 13.922 6.541 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.023 12.680 7.792 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.418 13.575 7.143 1.00 0.00 H new ATOM 159 N GLY A 10 4.598 9.368 7.801 1.00 0.00 N ATOM 160 CA GLY A 10 4.292 8.810 9.107 1.00 0.00 C ATOM 161 C GLY A 10 2.817 9.012 9.458 1.00 0.00 C ATOM 162 O GLY A 10 2.377 8.636 10.543 1.00 0.00 O ATOM 0 H GLY A 10 4.222 8.841 7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.529 7.746 9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.918 9.283 9.864 1.00 0.00 H new ATOM 166 N LYS A 11 2.094 9.604 8.519 1.00 0.00 N ATOM 167 CA LYS A 11 0.677 9.861 8.715 1.00 0.00 C ATOM 168 C LYS A 11 -0.093 8.543 8.611 1.00 0.00 C ATOM 169 O LYS A 11 0.227 7.696 7.779 1.00 0.00 O ATOM 170 CB LYS A 11 0.189 10.938 7.745 1.00 0.00 C ATOM 171 CG LYS A 11 0.865 12.280 8.031 1.00 0.00 C ATOM 172 CD LYS A 11 0.413 13.346 7.031 1.00 0.00 C ATOM 173 CE LYS A 11 -0.568 14.325 7.681 1.00 0.00 C ATOM 174 NZ LYS A 11 -1.355 15.033 6.647 1.00 0.00 N ATOM 0 H LYS A 11 2.463 9.913 7.620 1.00 0.00 H new ATOM 0 HA LYS A 11 0.495 10.259 9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.399 10.632 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.892 11.046 7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.626 12.603 9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.948 12.164 7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.280 13.889 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.059 12.868 6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.238 13.786 8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.022 15.047 8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.015 15.693 7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.713 15.563 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.891 14.342 6.085 1.00 0.00 H new ATOM 188 N THR A 12 -1.097 8.412 9.467 1.00 0.00 N ATOM 189 CA THR A 12 -1.917 7.212 9.481 1.00 0.00 C ATOM 190 C THR A 12 -3.250 7.468 8.775 1.00 0.00 C ATOM 191 O THR A 12 -3.989 8.377 9.149 1.00 0.00 O ATOM 192 CB THR A 12 -2.075 6.765 10.935 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.799 6.231 11.275 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.028 5.577 11.082 1.00 0.00 C ATOM 0 H THR A 12 -1.361 9.117 10.155 1.00 0.00 H new ATOM 0 HA THR A 12 -1.443 6.402 8.927 1.00 0.00 H new ATOM 0 HB THR A 12 -2.441 7.600 11.533 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.812 5.919 12.204 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.104 5.300 12.133 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.014 5.853 10.707 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.646 4.731 10.511 1.00 0.00 H new ATOM 202 N ILE A 13 -3.516 6.651 7.767 1.00 0.00 N ATOM 203 CA ILE A 13 -4.747 6.778 7.006 1.00 0.00 C ATOM 204 C ILE A 13 -5.483 5.436 7.007 1.00 0.00 C ATOM 205 O ILE A 13 -4.942 4.428 6.557 1.00 0.00 O ATOM 206 CB ILE A 13 -4.456 7.319 5.604 1.00 0.00 C ATOM 207 CG1 ILE A 13 -4.231 8.832 5.636 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.564 6.925 4.624 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.960 9.214 4.875 1.00 0.00 C ATOM 0 H ILE A 13 -2.900 5.898 7.459 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.410 7.506 7.473 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.532 6.864 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.089 9.340 5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.156 9.170 6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.333 7.322 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.634 5.839 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.515 7.334 4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.824 10.295 4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.101 8.724 5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.049 8.896 3.836 1.00 0.00 H new ATOM 221 N THR A 14 -6.704 5.469 7.519 1.00 0.00 N ATOM 222 CA THR A 14 -7.520 4.268 7.584 1.00 0.00 C ATOM 223 C THR A 14 -8.458 4.194 6.378 1.00 0.00 C ATOM 224 O THR A 14 -8.995 5.210 5.941 1.00 0.00 O ATOM 225 CB THR A 14 -8.255 4.269 8.927 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.278 4.727 9.858 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.597 2.858 9.408 1.00 0.00 C ATOM 0 H THR A 14 -7.148 6.308 7.893 1.00 0.00 H new ATOM 0 HA THR A 14 -6.906 3.369 7.533 1.00 0.00 H new ATOM 0 HB THR A 14 -9.171 4.854 8.839 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.060 4.006 10.485 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.117 2.916 10.364 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.239 2.369 8.675 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.679 2.282 9.528 1.00 0.00 H new ATOM 235 N LEU A 15 -8.626 2.980 5.874 1.00 0.00 N ATOM 236 CA LEU A 15 -9.490 2.759 4.727 1.00 0.00 C ATOM 237 C LEU A 15 -10.386 1.548 4.993 1.00 0.00 C ATOM 238 O LEU A 15 -9.902 0.490 5.393 1.00 0.00 O ATOM 239 CB LEU A 15 -8.659 2.640 3.446 1.00 0.00 C ATOM 240 CG LEU A 15 -9.346 3.094 2.157 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.704 2.409 1.989 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.463 4.618 2.104 1.00 0.00 C ATOM 0 H LEU A 15 -8.178 2.139 6.239 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.148 3.615 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.747 3.223 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.358 1.599 3.327 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.725 2.790 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.171 2.749 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.564 1.329 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.345 2.660 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.955 4.913 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.050 4.968 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.468 5.061 2.143 1.00 0.00 H new ATOM 254 N GLU A 16 -11.675 1.743 4.761 1.00 0.00 N ATOM 255 CA GLU A 16 -12.643 0.681 4.972 1.00 0.00 C ATOM 256 C GLU A 16 -12.999 0.016 3.640 1.00 0.00 C ATOM 257 O GLU A 16 -13.707 0.599 2.820 1.00 0.00 O ATOM 258 CB GLU A 16 -13.896 1.211 5.673 1.00 0.00 C ATOM 259 CG GLU A 16 -14.305 2.573 5.108 1.00 0.00 C ATOM 260 CD GLU A 16 -15.778 2.866 5.396 1.00 0.00 C ATOM 261 OE1 GLU A 16 -16.587 1.929 5.224 1.00 0.00 O ATOM 262 OE2 GLU A 16 -16.062 4.021 5.782 1.00 0.00 O ATOM 0 H GLU A 16 -12.072 2.622 4.429 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.194 -0.070 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.714 0.501 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.709 1.298 6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.683 3.354 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.130 2.592 4.032 1.00 0.00 H new ATOM 269 N VAL A 17 -12.492 -1.195 3.466 1.00 0.00 N ATOM 270 CA VAL A 17 -12.747 -1.946 2.248 1.00 0.00 C ATOM 271 C VAL A 17 -13.221 -3.354 2.613 1.00 0.00 C ATOM 272 O VAL A 17 -13.305 -3.700 3.790 1.00 0.00 O ATOM 273 CB VAL A 17 -11.500 -1.946 1.362 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.006 -0.519 1.112 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.395 -2.810 1.971 1.00 0.00 C ATOM 0 H VAL A 17 -11.905 -1.676 4.148 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.541 -1.475 1.668 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.772 -2.380 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.119 -0.547 0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.788 0.055 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.759 -0.048 2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.520 -2.793 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.126 -2.419 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.750 -3.835 2.074 1.00 0.00 H new ATOM 285 N GLU A 18 -13.519 -4.130 1.581 1.00 0.00 N ATOM 286 CA GLU A 18 -13.982 -5.492 1.776 1.00 0.00 C ATOM 287 C GLU A 18 -12.885 -6.487 1.391 1.00 0.00 C ATOM 288 O GLU A 18 -11.956 -6.141 0.662 1.00 0.00 O ATOM 289 CB GLU A 18 -15.264 -5.756 0.984 1.00 0.00 C ATOM 290 CG GLU A 18 -16.490 -5.730 1.899 1.00 0.00 C ATOM 291 CD GLU A 18 -17.695 -5.114 1.185 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.610 -3.909 0.867 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.673 -5.863 0.975 1.00 0.00 O ATOM 0 H GLU A 18 -13.448 -3.840 0.606 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.213 -5.627 2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.374 -5.005 0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.196 -6.724 0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.731 -6.744 2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.264 -5.158 2.799 1.00 0.00 H new ATOM 300 N PRO A 19 -13.032 -7.735 1.909 1.00 0.00 N ATOM 301 CA PRO A 19 -12.066 -8.782 1.626 1.00 0.00 C ATOM 302 C PRO A 19 -12.236 -9.316 0.202 1.00 0.00 C ATOM 303 O PRO A 19 -11.352 -9.992 -0.321 1.00 0.00 O ATOM 304 CB PRO A 19 -12.308 -9.840 2.691 1.00 0.00 C ATOM 305 CG PRO A 19 -13.698 -9.566 3.241 1.00 0.00 C ATOM 306 CD PRO A 19 -14.119 -8.181 2.775 1.00 0.00 C ATOM 0 HA PRO A 19 -11.037 -8.426 1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.246 -10.842 2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.557 -9.780 3.479 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.403 -10.318 2.888 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.695 -9.618 4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.066 -8.215 2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.257 -7.504 3.618 1.00 0.00 H new ATOM 314 N SER A 20 -13.379 -8.993 -0.384 1.00 0.00 N ATOM 315 CA SER A 20 -13.677 -9.432 -1.736 1.00 0.00 C ATOM 316 C SER A 20 -13.162 -8.403 -2.745 1.00 0.00 C ATOM 317 O SER A 20 -12.902 -8.738 -3.899 1.00 0.00 O ATOM 318 CB SER A 20 -15.179 -9.654 -1.925 1.00 0.00 C ATOM 319 OG SER A 20 -15.912 -8.434 -1.850 1.00 0.00 O ATOM 0 H SER A 20 -14.110 -8.432 0.053 1.00 0.00 H new ATOM 0 HA SER A 20 -13.172 -10.383 -1.906 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.357 -10.125 -2.892 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.543 -10.343 -1.163 1.00 0.00 H new ATOM 0 HG SER A 20 -16.866 -8.617 -1.977 1.00 0.00 H new ATOM 325 N ASP A 21 -13.029 -7.172 -2.272 1.00 0.00 N ATOM 326 CA ASP A 21 -12.550 -6.093 -3.118 1.00 0.00 C ATOM 327 C ASP A 21 -11.085 -6.347 -3.481 1.00 0.00 C ATOM 328 O ASP A 21 -10.320 -6.856 -2.664 1.00 0.00 O ATOM 329 CB ASP A 21 -12.631 -4.748 -2.395 1.00 0.00 C ATOM 330 CG ASP A 21 -13.944 -4.492 -1.652 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.911 -5.230 -1.938 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.951 -3.563 -0.815 1.00 0.00 O ATOM 0 H ASP A 21 -13.245 -6.899 -1.313 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.176 -6.061 -4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.809 -4.686 -1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.482 -3.951 -3.124 1.00 0.00 H new ATOM 337 N THR A 22 -10.740 -5.981 -4.707 1.00 0.00 N ATOM 338 CA THR A 22 -9.380 -6.162 -5.187 1.00 0.00 C ATOM 339 C THR A 22 -8.507 -4.975 -4.778 1.00 0.00 C ATOM 340 O THR A 22 -9.019 -3.905 -4.454 1.00 0.00 O ATOM 341 CB THR A 22 -9.440 -6.380 -6.700 1.00 0.00 C ATOM 342 OG1 THR A 22 -10.491 -5.523 -7.134 1.00 0.00 O ATOM 343 CG2 THR A 22 -9.925 -7.783 -7.072 1.00 0.00 C ATOM 0 H THR A 22 -11.378 -5.560 -5.382 1.00 0.00 H new ATOM 0 HA THR A 22 -8.914 -7.037 -4.735 1.00 0.00 H new ATOM 0 HB THR A 22 -8.452 -6.212 -7.129 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.597 -5.601 -8.105 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.949 -7.884 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.246 -8.526 -6.653 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.926 -7.940 -6.671 1.00 0.00 H new ATOM 351 N ILE A 23 -7.203 -5.205 -4.805 1.00 0.00 N ATOM 352 CA ILE A 23 -6.252 -4.168 -4.442 1.00 0.00 C ATOM 353 C ILE A 23 -6.461 -2.950 -5.346 1.00 0.00 C ATOM 354 O ILE A 23 -6.149 -1.825 -4.960 1.00 0.00 O ATOM 355 CB ILE A 23 -4.824 -4.715 -4.468 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.586 -5.681 -3.305 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.800 -3.577 -4.486 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.667 -4.954 -1.962 1.00 0.00 C ATOM 0 H ILE A 23 -6.782 -6.095 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.423 -3.838 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.692 -5.281 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.326 -6.481 -3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.607 -6.149 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.793 -3.994 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.955 -2.962 -5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.922 -2.963 -3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.494 -5.664 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.910 -4.171 -1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.655 -4.508 -1.849 1.00 0.00 H new ATOM 370 N GLU A 24 -6.986 -3.218 -6.532 1.00 0.00 N ATOM 371 CA GLU A 24 -7.241 -2.159 -7.494 1.00 0.00 C ATOM 372 C GLU A 24 -8.359 -1.244 -6.992 1.00 0.00 C ATOM 373 O GLU A 24 -8.250 -0.021 -7.079 1.00 0.00 O ATOM 374 CB GLU A 24 -7.581 -2.738 -8.869 1.00 0.00 C ATOM 375 CG GLU A 24 -7.566 -1.647 -9.942 1.00 0.00 C ATOM 376 CD GLU A 24 -8.915 -1.565 -10.659 1.00 0.00 C ATOM 377 OE1 GLU A 24 -9.131 -2.404 -11.559 1.00 0.00 O ATOM 378 OE2 GLU A 24 -9.700 -0.664 -10.291 1.00 0.00 O ATOM 0 H GLU A 24 -7.242 -4.153 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.333 -1.565 -7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.864 -3.517 -9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.564 -3.208 -8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.334 -0.685 -9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.778 -1.854 -10.665 1.00 0.00 H new ATOM 385 N ASN A 25 -9.408 -1.869 -6.480 1.00 0.00 N ATOM 386 CA ASN A 25 -10.545 -1.126 -5.964 1.00 0.00 C ATOM 387 C ASN A 25 -10.112 -0.330 -4.731 1.00 0.00 C ATOM 388 O ASN A 25 -10.502 0.825 -4.565 1.00 0.00 O ATOM 389 CB ASN A 25 -11.675 -2.068 -5.547 1.00 0.00 C ATOM 390 CG ASN A 25 -13.006 -1.319 -5.449 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.243 -0.333 -6.127 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.857 -1.840 -4.569 1.00 0.00 N ATOM 0 H ASN A 25 -9.495 -2.883 -6.411 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.901 -0.464 -6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.762 -2.879 -6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.438 -2.523 -4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.772 -1.412 -4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.594 -2.668 -4.034 1.00 0.00 H new ATOM 399 N VAL A 26 -9.313 -0.981 -3.897 1.00 0.00 N ATOM 400 CA VAL A 26 -8.823 -0.349 -2.685 1.00 0.00 C ATOM 401 C VAL A 26 -7.941 0.845 -3.057 1.00 0.00 C ATOM 402 O VAL A 26 -8.096 1.932 -2.503 1.00 0.00 O ATOM 403 CB VAL A 26 -8.100 -1.378 -1.813 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.591 -0.740 -0.519 1.00 0.00 C ATOM 405 CG2 VAL A 26 -9.004 -2.575 -1.515 1.00 0.00 C ATOM 0 H VAL A 26 -8.993 -1.939 -4.038 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.654 0.033 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.236 -1.741 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.081 -1.493 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.896 0.064 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.433 -0.336 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.466 -3.291 -0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.896 -2.235 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.295 -3.053 -2.450 1.00 0.00 H new ATOM 415 N LYS A 27 -7.035 0.601 -3.992 1.00 0.00 N ATOM 416 CA LYS A 27 -6.128 1.642 -4.445 1.00 0.00 C ATOM 417 C LYS A 27 -6.937 2.786 -5.058 1.00 0.00 C ATOM 418 O LYS A 27 -6.620 3.957 -4.850 1.00 0.00 O ATOM 419 CB LYS A 27 -5.073 1.060 -5.388 1.00 0.00 C ATOM 420 CG LYS A 27 -3.724 0.919 -4.681 1.00 0.00 C ATOM 421 CD LYS A 27 -2.927 -0.256 -5.253 1.00 0.00 C ATOM 422 CE LYS A 27 -1.447 0.104 -5.395 1.00 0.00 C ATOM 423 NZ LYS A 27 -0.621 -1.122 -5.485 1.00 0.00 N ATOM 0 H LYS A 27 -6.909 -0.302 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.575 2.058 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.401 0.086 -5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.965 1.704 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.152 1.840 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.883 0.770 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.033 -1.124 -4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.332 -0.536 -6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.299 0.715 -6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.129 0.702 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.381 -0.859 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.749 -1.691 -4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.914 -1.678 -6.314 1.00 0.00 H new ATOM 437 N ALA A 28 -7.967 2.410 -5.801 1.00 0.00 N ATOM 438 CA ALA A 28 -8.824 3.389 -6.445 1.00 0.00 C ATOM 439 C ALA A 28 -9.497 4.253 -5.377 1.00 0.00 C ATOM 440 O ALA A 28 -9.670 5.457 -5.564 1.00 0.00 O ATOM 441 CB ALA A 28 -9.838 2.672 -7.339 1.00 0.00 C ATOM 0 H ALA A 28 -8.227 1.439 -5.971 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.238 4.050 -7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.481 3.408 -7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.310 2.097 -8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.446 2.000 -6.733 1.00 0.00 H new ATOM 447 N LYS A 29 -9.860 3.605 -4.279 1.00 0.00 N ATOM 448 CA LYS A 29 -10.510 4.298 -3.180 1.00 0.00 C ATOM 449 C LYS A 29 -9.548 5.333 -2.596 1.00 0.00 C ATOM 450 O LYS A 29 -9.924 6.486 -2.383 1.00 0.00 O ATOM 451 CB LYS A 29 -11.036 3.296 -2.151 1.00 0.00 C ATOM 452 CG LYS A 29 -12.545 3.091 -2.306 1.00 0.00 C ATOM 453 CD LYS A 29 -13.048 1.992 -1.366 1.00 0.00 C ATOM 454 CE LYS A 29 -12.595 0.612 -1.846 1.00 0.00 C ATOM 455 NZ LYS A 29 -13.638 -0.011 -2.691 1.00 0.00 N ATOM 0 H LYS A 29 -9.716 2.607 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.385 4.842 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.522 2.342 -2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.815 3.653 -1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.066 4.024 -2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.776 2.826 -3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.674 2.171 -0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.136 2.024 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.667 0.703 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.384 -0.027 -0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.558 -1.046 -2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.578 0.283 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.512 0.292 -3.678 1.00 0.00 H new ATOM 469 N ILE A 30 -8.325 4.886 -2.351 1.00 0.00 N ATOM 470 CA ILE A 30 -7.306 5.759 -1.795 1.00 0.00 C ATOM 471 C ILE A 30 -7.001 6.880 -2.791 1.00 0.00 C ATOM 472 O ILE A 30 -6.711 8.008 -2.394 1.00 0.00 O ATOM 473 CB ILE A 30 -6.074 4.951 -1.384 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.448 3.850 -0.389 1.00 0.00 C ATOM 475 CG2 ILE A 30 -4.975 5.866 -0.840 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.534 2.633 -0.550 1.00 0.00 C ATOM 0 H ILE A 30 -8.017 3.930 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.668 6.232 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.675 4.461 -2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.373 4.234 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.486 3.553 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.110 5.267 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.683 6.581 -1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.347 6.403 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.821 1.865 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.629 2.238 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.500 2.928 -0.372 1.00 0.00 H new ATOM 488 N GLN A 31 -7.079 6.531 -4.067 1.00 0.00 N ATOM 489 CA GLN A 31 -6.815 7.494 -5.123 1.00 0.00 C ATOM 490 C GLN A 31 -7.874 8.599 -5.111 1.00 0.00 C ATOM 491 O GLN A 31 -7.541 9.782 -5.077 1.00 0.00 O ATOM 492 CB GLN A 31 -6.755 6.807 -6.489 1.00 0.00 C ATOM 493 CG GLN A 31 -6.556 7.829 -7.609 1.00 0.00 C ATOM 494 CD GLN A 31 -7.342 7.433 -8.861 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.606 6.269 -9.117 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.701 8.462 -9.622 1.00 0.00 N ATOM 0 H GLN A 31 -7.321 5.595 -4.393 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.842 7.949 -4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.938 6.085 -6.501 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.676 6.249 -6.660 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.879 8.813 -7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.496 7.907 -7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.447 9.411 -9.349 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.230 8.302 -10.479 1.00 0.00 H new ATOM 505 N ASP A 32 -9.128 8.172 -5.140 1.00 0.00 N ATOM 506 CA ASP A 32 -10.238 9.110 -5.132 1.00 0.00 C ATOM 507 C ASP A 32 -10.190 9.940 -3.847 1.00 0.00 C ATOM 508 O ASP A 32 -10.625 11.090 -3.830 1.00 0.00 O ATOM 509 CB ASP A 32 -11.579 8.377 -5.172 1.00 0.00 C ATOM 510 CG ASP A 32 -12.552 8.868 -6.246 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.987 10.033 -6.129 1.00 0.00 O ATOM 512 OD2 ASP A 32 -12.839 8.066 -7.161 1.00 0.00 O ATOM 0 H ASP A 32 -9.400 7.189 -5.169 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.149 9.745 -6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.391 7.315 -5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.058 8.473 -4.198 1.00 0.00 H new ATOM 517 N LYS A 33 -9.657 9.323 -2.803 1.00 0.00 N ATOM 518 CA LYS A 33 -9.548 9.990 -1.516 1.00 0.00 C ATOM 519 C LYS A 33 -8.339 10.928 -1.535 1.00 0.00 C ATOM 520 O LYS A 33 -8.495 12.148 -1.508 1.00 0.00 O ATOM 521 CB LYS A 33 -9.513 8.964 -0.382 1.00 0.00 C ATOM 522 CG LYS A 33 -10.620 9.236 0.638 1.00 0.00 C ATOM 523 CD LYS A 33 -10.101 10.096 1.793 1.00 0.00 C ATOM 524 CE LYS A 33 -10.532 11.555 1.627 1.00 0.00 C ATOM 525 NZ LYS A 33 -11.969 11.711 1.944 1.00 0.00 N ATOM 0 H LYS A 33 -9.296 8.369 -2.821 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.428 10.606 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.629 7.960 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.542 8.996 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.454 9.741 0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.002 8.292 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.478 9.707 2.739 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.013 10.037 1.835 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.938 12.192 2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.342 11.882 0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.195 12.721 2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.540 11.301 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.183 11.220 2.836 1.00 0.00 H new ATOM 539 N GLU A 34 -7.162 10.323 -1.579 1.00 0.00 N ATOM 540 CA GLU A 34 -5.927 11.088 -1.601 1.00 0.00 C ATOM 541 C GLU A 34 -5.798 11.850 -2.922 1.00 0.00 C ATOM 542 O GLU A 34 -5.783 13.080 -2.935 1.00 0.00 O ATOM 543 CB GLU A 34 -4.716 10.183 -1.370 1.00 0.00 C ATOM 544 CG GLU A 34 -3.853 10.705 -0.219 1.00 0.00 C ATOM 545 CD GLU A 34 -3.059 11.940 -0.646 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.702 12.878 -1.166 1.00 0.00 O ATOM 547 OE2 GLU A 34 -1.826 11.921 -0.442 1.00 0.00 O ATOM 0 H GLU A 34 -7.037 9.311 -1.600 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.957 11.812 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.052 9.170 -1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.120 10.128 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.487 10.952 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.168 9.924 0.110 1.00 0.00 H new ATOM 554 N GLY A 35 -5.708 11.087 -4.002 1.00 0.00 N ATOM 555 CA GLY A 35 -5.582 11.674 -5.324 1.00 0.00 C ATOM 556 C GLY A 35 -4.410 11.054 -6.090 1.00 0.00 C ATOM 557 O GLY A 35 -4.214 11.341 -7.269 1.00 0.00 O ATOM 0 H GLY A 35 -5.720 10.067 -3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.506 11.524 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.435 12.750 -5.235 1.00 0.00 H new ATOM 561 N ILE A 36 -3.663 10.217 -5.386 1.00 0.00 N ATOM 562 CA ILE A 36 -2.517 9.554 -5.984 1.00 0.00 C ATOM 563 C ILE A 36 -2.994 8.336 -6.780 1.00 0.00 C ATOM 564 O ILE A 36 -3.910 7.634 -6.355 1.00 0.00 O ATOM 565 CB ILE A 36 -1.473 9.219 -4.916 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.005 10.484 -4.193 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.304 8.436 -5.517 1.00 0.00 C ATOM 568 CD1 ILE A 36 -0.608 10.173 -2.748 1.00 0.00 C ATOM 0 H ILE A 36 -3.829 9.983 -4.407 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.018 10.220 -6.688 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.941 8.576 -4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.156 10.917 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.801 11.229 -4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.423 8.211 -4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.673 7.505 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.172 9.033 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.279 11.088 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.466 9.763 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.204 9.446 -2.742 1.00 0.00 H new ATOM 580 N PRO A 37 -2.335 8.120 -7.949 1.00 0.00 N ATOM 581 CA PRO A 37 -2.683 7.000 -8.807 1.00 0.00 C ATOM 582 C PRO A 37 -2.161 5.682 -8.229 1.00 0.00 C ATOM 583 O PRO A 37 -1.317 5.685 -7.335 1.00 0.00 O ATOM 584 CB PRO A 37 -2.074 7.336 -10.159 1.00 0.00 C ATOM 585 CG PRO A 37 -1.020 8.399 -9.889 1.00 0.00 C ATOM 586 CD PRO A 37 -1.245 8.931 -8.483 1.00 0.00 C ATOM 0 HA PRO A 37 -3.760 6.856 -8.893 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.629 6.453 -10.617 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.833 7.705 -10.849 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.019 7.977 -9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.095 9.205 -10.619 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.346 8.835 -7.875 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.509 9.989 -8.497 1.00 0.00 H new ATOM 594 N PRO A 38 -2.700 4.561 -8.777 1.00 0.00 N ATOM 595 CA PRO A 38 -2.299 3.240 -8.324 1.00 0.00 C ATOM 596 C PRO A 38 -0.911 2.876 -8.858 1.00 0.00 C ATOM 597 O PRO A 38 -0.176 2.122 -8.223 1.00 0.00 O ATOM 598 CB PRO A 38 -3.389 2.306 -8.821 1.00 0.00 C ATOM 599 CG PRO A 38 -4.115 3.060 -9.923 1.00 0.00 C ATOM 600 CD PRO A 38 -3.703 4.521 -9.837 1.00 0.00 C ATOM 0 HA PRO A 38 -2.204 3.178 -7.240 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.964 1.376 -9.199 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.072 2.040 -8.015 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.860 2.648 -10.899 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.194 2.960 -9.807 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.293 4.873 -10.784 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.554 5.159 -9.601 1.00 0.00 H new ATOM 608 N ASP A 39 -0.595 3.429 -10.020 1.00 0.00 N ATOM 609 CA ASP A 39 0.690 3.172 -10.647 1.00 0.00 C ATOM 610 C ASP A 39 1.799 3.801 -9.800 1.00 0.00 C ATOM 611 O ASP A 39 2.914 3.283 -9.748 1.00 0.00 O ATOM 612 CB ASP A 39 0.755 3.790 -12.045 1.00 0.00 C ATOM 613 CG ASP A 39 -0.174 3.149 -13.079 1.00 0.00 C ATOM 614 OD1 ASP A 39 -1.391 3.107 -12.799 1.00 0.00 O ATOM 615 OD2 ASP A 39 0.355 2.716 -14.124 1.00 0.00 O ATOM 0 H ASP A 39 -1.207 4.054 -10.544 1.00 0.00 H new ATOM 0 HA ASP A 39 0.818 2.092 -10.724 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.513 4.850 -11.969 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.780 3.722 -12.409 1.00 0.00 H new ATOM 620 N GLN A 40 1.455 4.909 -9.160 1.00 0.00 N ATOM 621 CA GLN A 40 2.408 5.613 -8.319 1.00 0.00 C ATOM 622 C GLN A 40 2.298 5.129 -6.871 1.00 0.00 C ATOM 623 O GLN A 40 3.208 5.343 -6.072 1.00 0.00 O ATOM 624 CB GLN A 40 2.204 7.127 -8.407 1.00 0.00 C ATOM 625 CG GLN A 40 2.857 7.695 -9.668 1.00 0.00 C ATOM 626 CD GLN A 40 4.143 8.451 -9.326 1.00 0.00 C ATOM 627 OE1 GLN A 40 5.243 7.934 -9.429 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.942 9.700 -8.916 1.00 0.00 N ATOM 0 H GLN A 40 0.530 5.336 -9.207 1.00 0.00 H new ATOM 0 HA GLN A 40 3.413 5.393 -8.680 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.138 7.354 -8.411 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.629 7.607 -7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.081 6.885 -10.362 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.160 8.365 -10.173 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.993 10.070 -8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.736 10.288 -8.665 1.00 0.00 H new ATOM 637 N GLN A 41 1.178 4.485 -6.580 1.00 0.00 N ATOM 638 CA GLN A 41 0.937 3.969 -5.243 1.00 0.00 C ATOM 639 C GLN A 41 1.556 2.578 -5.092 1.00 0.00 C ATOM 640 O GLN A 41 1.413 1.733 -5.975 1.00 0.00 O ATOM 641 CB GLN A 41 -0.559 3.941 -4.927 1.00 0.00 C ATOM 642 CG GLN A 41 -0.924 5.023 -3.909 1.00 0.00 C ATOM 643 CD GLN A 41 -2.403 4.937 -3.524 1.00 0.00 C ATOM 644 OE1 GLN A 41 -2.778 4.328 -2.536 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.217 5.580 -4.356 1.00 0.00 N ATOM 0 H GLN A 41 0.427 4.308 -7.247 1.00 0.00 H new ATOM 0 HA GLN A 41 1.413 4.637 -4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.131 4.091 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.834 2.961 -4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.306 4.913 -3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.710 6.007 -4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.836 6.070 -5.165 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.223 5.583 -4.185 1.00 0.00 H new ATOM 654 N ARG A 42 2.230 2.383 -3.968 1.00 0.00 N ATOM 655 CA ARG A 42 2.870 1.108 -3.690 1.00 0.00 C ATOM 656 C ARG A 42 2.563 0.660 -2.259 1.00 0.00 C ATOM 657 O ARG A 42 3.153 1.165 -1.308 1.00 0.00 O ATOM 658 CB ARG A 42 4.385 1.202 -3.874 1.00 0.00 C ATOM 659 CG ARG A 42 5.006 -0.188 -4.027 1.00 0.00 C ATOM 660 CD ARG A 42 6.514 -0.147 -3.767 1.00 0.00 C ATOM 661 NE ARG A 42 6.958 -1.424 -3.167 1.00 0.00 N ATOM 662 CZ ARG A 42 8.235 -1.718 -2.885 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.201 -0.827 -3.147 1.00 0.00 N ATOM 664 NH2 ARG A 42 8.546 -2.902 -2.341 1.00 0.00 N ATOM 0 H ARG A 42 2.347 3.087 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 42 2.474 0.377 -4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.611 1.804 -4.754 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.828 1.710 -3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.532 -0.880 -3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.817 -0.566 -5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.048 0.031 -4.701 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.754 0.681 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 42 6.248 -2.125 -2.955 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.964 0.075 -3.561 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.173 -1.051 -2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.811 -3.580 -2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.518 -3.125 -2.127 1.00 0.00 H new ATOM 678 N LEU A 43 1.638 -0.283 -2.155 1.00 0.00 N ATOM 679 CA LEU A 43 1.246 -0.805 -0.857 1.00 0.00 C ATOM 680 C LEU A 43 2.000 -2.108 -0.586 1.00 0.00 C ATOM 681 O LEU A 43 1.872 -3.072 -1.340 1.00 0.00 O ATOM 682 CB LEU A 43 -0.276 -0.947 -0.775 1.00 0.00 C ATOM 683 CG LEU A 43 -1.089 0.194 -1.388 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.550 0.130 -0.937 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.453 1.551 -1.077 1.00 0.00 C ATOM 0 H LEU A 43 1.149 -0.699 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 43 1.522 -0.107 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.562 -1.876 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.556 -1.044 0.274 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.080 0.075 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.106 0.952 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.987 -0.818 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.599 0.210 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.051 2.344 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.410 1.694 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.556 1.582 -1.487 1.00 0.00 H new ATOM 697 N ILE A 44 2.771 -2.096 0.491 1.00 0.00 N ATOM 698 CA ILE A 44 3.545 -3.265 0.872 1.00 0.00 C ATOM 699 C ILE A 44 2.845 -3.982 2.028 1.00 0.00 C ATOM 700 O ILE A 44 2.240 -3.340 2.885 1.00 0.00 O ATOM 701 CB ILE A 44 4.992 -2.872 1.176 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.671 -2.276 -0.058 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.774 -4.059 1.744 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.202 -0.870 0.233 1.00 0.00 C ATOM 0 H ILE A 44 2.876 -1.294 1.113 1.00 0.00 H new ATOM 0 HA ILE A 44 3.598 -3.973 0.045 1.00 0.00 H new ATOM 0 HB ILE A 44 4.981 -2.096 1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.492 -2.921 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.961 -2.237 -0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.799 -3.753 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.302 -4.397 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.778 -4.873 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.680 -0.469 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.375 -0.222 0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.929 -0.916 1.044 1.00 0.00 H new ATOM 716 N PHE A 45 2.952 -5.303 2.014 1.00 0.00 N ATOM 717 CA PHE A 45 2.336 -6.114 3.051 1.00 0.00 C ATOM 718 C PHE A 45 3.053 -7.459 3.191 1.00 0.00 C ATOM 719 O PHE A 45 3.281 -8.150 2.199 1.00 0.00 O ATOM 720 CB PHE A 45 0.888 -6.362 2.624 1.00 0.00 C ATOM 721 CG PHE A 45 -0.083 -6.535 3.794 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.162 -7.472 4.749 1.00 0.00 C ATOM 723 CD2 PHE A 45 -1.192 -5.752 3.878 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.739 -7.633 5.834 1.00 0.00 C ATOM 725 CE2 PHE A 45 -2.094 -5.913 4.963 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.848 -6.851 5.918 1.00 0.00 C ATOM 0 H PHE A 45 3.456 -5.831 1.302 1.00 0.00 H new ATOM 0 HA PHE A 45 2.394 -5.600 4.010 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.553 -5.528 2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.852 -7.255 1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.042 -8.094 4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.387 -5.008 3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.544 -8.376 6.593 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.975 -5.291 5.030 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.534 -6.974 6.743 1.00 0.00 H new ATOM 736 N ALA A 46 3.384 -7.790 4.430 1.00 0.00 N ATOM 737 CA ALA A 46 4.069 -9.040 4.713 1.00 0.00 C ATOM 738 C ALA A 46 5.343 -9.121 3.868 1.00 0.00 C ATOM 739 O ALA A 46 5.881 -10.206 3.654 1.00 0.00 O ATOM 740 CB ALA A 46 3.121 -10.211 4.451 1.00 0.00 C ATOM 0 H ALA A 46 3.191 -7.214 5.250 1.00 0.00 H new ATOM 0 HA ALA A 46 4.365 -9.087 5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.634 -11.149 4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.246 -10.122 5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.806 -10.198 3.408 1.00 0.00 H new ATOM 746 N GLY A 47 5.788 -7.960 3.412 1.00 0.00 N ATOM 747 CA GLY A 47 6.988 -7.886 2.596 1.00 0.00 C ATOM 748 C GLY A 47 6.652 -8.048 1.113 1.00 0.00 C ATOM 749 O GLY A 47 7.490 -7.786 0.251 1.00 0.00 O ATOM 0 H GLY A 47 5.339 -7.062 3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.484 -6.929 2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.688 -8.664 2.901 1.00 0.00 H new ATOM 753 N LYS A 48 5.425 -8.478 0.859 1.00 0.00 N ATOM 754 CA LYS A 48 4.969 -8.678 -0.505 1.00 0.00 C ATOM 755 C LYS A 48 4.117 -7.481 -0.934 1.00 0.00 C ATOM 756 O LYS A 48 3.402 -6.899 -0.120 1.00 0.00 O ATOM 757 CB LYS A 48 4.251 -10.022 -0.639 1.00 0.00 C ATOM 758 CG LYS A 48 3.018 -10.078 0.265 1.00 0.00 C ATOM 759 CD LYS A 48 2.124 -11.264 -0.100 1.00 0.00 C ATOM 760 CE LYS A 48 2.079 -12.288 1.037 1.00 0.00 C ATOM 761 NZ LYS A 48 1.969 -13.660 0.495 1.00 0.00 N ATOM 0 H LYS A 48 4.732 -8.694 1.576 1.00 0.00 H new ATOM 0 HA LYS A 48 5.818 -8.727 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.953 -10.177 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.934 -10.831 -0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.330 -10.160 1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.453 -9.150 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.116 -10.911 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.497 -11.739 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.978 -12.203 1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.231 -12.079 1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.940 -14.342 1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.098 -13.742 -0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.792 -13.862 -0.108 1.00 0.00 H new ATOM 775 N GLN A 49 4.222 -7.149 -2.213 1.00 0.00 N ATOM 776 CA GLN A 49 3.471 -6.031 -2.760 1.00 0.00 C ATOM 777 C GLN A 49 2.040 -6.463 -3.084 1.00 0.00 C ATOM 778 O GLN A 49 1.815 -7.578 -3.553 1.00 0.00 O ATOM 779 CB GLN A 49 4.164 -5.457 -3.996 1.00 0.00 C ATOM 780 CG GLN A 49 4.184 -6.477 -5.137 1.00 0.00 C ATOM 781 CD GLN A 49 5.616 -6.901 -5.469 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.260 -7.633 -4.735 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.077 -6.403 -6.613 1.00 0.00 N ATOM 0 H GLN A 49 4.815 -7.634 -2.886 1.00 0.00 H new ATOM 0 HA GLN A 49 3.431 -5.242 -2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.648 -4.554 -4.320 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.184 -5.168 -3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.597 -7.352 -4.857 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.714 -6.048 -6.022 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.485 -5.796 -7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.022 -6.628 -6.923 1.00 0.00 H new ATOM 792 N LEU A 50 1.109 -5.557 -2.822 1.00 0.00 N ATOM 793 CA LEU A 50 -0.295 -5.831 -3.081 1.00 0.00 C ATOM 794 C LEU A 50 -0.569 -5.695 -4.580 1.00 0.00 C ATOM 795 O LEU A 50 -0.527 -4.593 -5.125 1.00 0.00 O ATOM 796 CB LEU A 50 -1.183 -4.939 -2.211 1.00 0.00 C ATOM 797 CG LEU A 50 -0.788 -4.833 -0.737 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.851 -4.079 0.064 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.498 -6.215 -0.146 1.00 0.00 C ATOM 0 H LEU A 50 1.299 -4.633 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.541 -6.856 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.187 -3.936 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.205 -5.313 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 50 0.134 -4.255 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.545 -4.018 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.965 -3.073 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.802 -4.608 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.220 -6.111 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.388 -6.839 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.321 -6.681 -0.694 1.00 0.00 H new ATOM 811 N GLU A 51 -0.842 -6.831 -5.205 1.00 0.00 N ATOM 812 CA GLU A 51 -1.123 -6.853 -6.629 1.00 0.00 C ATOM 813 C GLU A 51 -2.619 -6.654 -6.879 1.00 0.00 C ATOM 814 O GLU A 51 -3.450 -7.273 -6.216 1.00 0.00 O ATOM 815 CB GLU A 51 -0.629 -8.154 -7.266 1.00 0.00 C ATOM 816 CG GLU A 51 0.869 -8.083 -7.566 1.00 0.00 C ATOM 817 CD GLU A 51 1.457 -9.483 -7.757 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.036 -10.148 -8.728 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.314 -9.856 -6.927 1.00 0.00 O ATOM 0 H GLU A 51 -0.874 -7.743 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.584 -6.030 -7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.830 -8.990 -6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.179 -8.344 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.036 -7.489 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.384 -7.577 -6.749 1.00 0.00 H new ATOM 826 N ASP A 52 -2.917 -5.788 -7.838 1.00 0.00 N ATOM 827 CA ASP A 52 -4.299 -5.500 -8.183 1.00 0.00 C ATOM 828 C ASP A 52 -5.055 -6.815 -8.383 1.00 0.00 C ATOM 829 O ASP A 52 -6.169 -6.977 -7.887 1.00 0.00 O ATOM 830 CB ASP A 52 -4.386 -4.703 -9.485 1.00 0.00 C ATOM 831 CG ASP A 52 -3.455 -5.183 -10.601 1.00 0.00 C ATOM 832 OD1 ASP A 52 -2.230 -4.999 -10.436 1.00 0.00 O ATOM 833 OD2 ASP A 52 -3.992 -5.721 -11.594 1.00 0.00 O ATOM 0 H ASP A 52 -2.225 -5.277 -8.386 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.734 -4.916 -7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.413 -4.740 -9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.162 -3.658 -9.270 1.00 0.00 H new ATOM 838 N GLY A 53 -4.419 -7.722 -9.111 1.00 0.00 N ATOM 839 CA GLY A 53 -5.018 -9.018 -9.382 1.00 0.00 C ATOM 840 C GLY A 53 -5.152 -9.840 -8.099 1.00 0.00 C ATOM 841 O GLY A 53 -5.770 -10.904 -8.100 1.00 0.00 O ATOM 0 H GLY A 53 -3.495 -7.585 -9.521 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.000 -8.881 -9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.408 -9.561 -10.104 1.00 0.00 H new ATOM 845 N ARG A 54 -4.563 -9.315 -7.033 1.00 0.00 N ATOM 846 CA ARG A 54 -4.609 -9.987 -5.746 1.00 0.00 C ATOM 847 C ARG A 54 -5.625 -9.305 -4.828 1.00 0.00 C ATOM 848 O ARG A 54 -5.711 -8.079 -4.793 1.00 0.00 O ATOM 849 CB ARG A 54 -3.236 -9.978 -5.071 1.00 0.00 C ATOM 850 CG ARG A 54 -2.520 -11.316 -5.269 1.00 0.00 C ATOM 851 CD ARG A 54 -2.609 -12.178 -4.008 1.00 0.00 C ATOM 852 NE ARG A 54 -1.695 -13.336 -4.121 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.292 -14.080 -3.082 1.00 0.00 C ATOM 854 NH1 ARG A 54 -1.720 -13.791 -1.845 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.460 -15.112 -3.279 1.00 0.00 N ATOM 0 H ARG A 54 -4.052 -8.432 -7.035 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.908 -11.020 -5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.629 -9.172 -5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.351 -9.777 -4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.964 -11.849 -6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.474 -11.139 -5.520 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.349 -11.583 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.633 -12.525 -3.866 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.350 -13.584 -5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.352 -13.005 -1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.413 -14.357 -1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.133 -15.331 -4.220 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.153 -15.678 -2.488 1.00 0.00 H new ATOM 869 N THR A 55 -6.371 -10.130 -4.106 1.00 0.00 N ATOM 870 CA THR A 55 -7.378 -9.622 -3.191 1.00 0.00 C ATOM 871 C THR A 55 -6.843 -9.622 -1.757 1.00 0.00 C ATOM 872 O THR A 55 -5.883 -10.327 -1.449 1.00 0.00 O ATOM 873 CB THR A 55 -8.644 -10.461 -3.368 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.157 -11.772 -3.642 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.426 -10.083 -4.626 1.00 0.00 C ATOM 0 H THR A 55 -6.297 -11.147 -4.137 1.00 0.00 H new ATOM 0 HA THR A 55 -7.626 -8.584 -3.412 1.00 0.00 H new ATOM 0 HB THR A 55 -9.284 -10.341 -2.494 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.913 -12.382 -3.769 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.315 -10.709 -4.703 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.723 -9.036 -4.569 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.798 -10.234 -5.504 1.00 0.00 H new ATOM 883 N LEU A 56 -7.489 -8.824 -0.918 1.00 0.00 N ATOM 884 CA LEU A 56 -7.090 -8.724 0.475 1.00 0.00 C ATOM 885 C LEU A 56 -7.252 -10.089 1.147 1.00 0.00 C ATOM 886 O LEU A 56 -6.433 -10.476 1.978 1.00 0.00 O ATOM 887 CB LEU A 56 -7.859 -7.601 1.173 1.00 0.00 C ATOM 888 CG LEU A 56 -7.795 -6.227 0.502 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.083 -5.437 0.746 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.554 -5.454 0.954 1.00 0.00 C ATOM 0 H LEU A 56 -8.285 -8.241 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.037 -8.454 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.905 -7.897 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.479 -7.505 2.190 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.708 -6.376 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.011 -4.465 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.930 -5.987 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.226 -5.296 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.532 -4.481 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.586 -5.314 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.659 -6.015 0.687 1.00 0.00 H new ATOM 902 N SER A 57 -8.314 -10.780 0.761 1.00 0.00 N ATOM 903 CA SER A 57 -8.594 -12.094 1.316 1.00 0.00 C ATOM 904 C SER A 57 -7.457 -13.060 0.973 1.00 0.00 C ATOM 905 O SER A 57 -7.040 -13.856 1.812 1.00 0.00 O ATOM 906 CB SER A 57 -9.927 -12.638 0.798 1.00 0.00 C ATOM 907 OG SER A 57 -10.119 -14.005 1.152 1.00 0.00 O ATOM 0 H SER A 57 -8.991 -10.455 0.071 1.00 0.00 H new ATOM 0 HA SER A 57 -8.668 -11.999 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.744 -12.041 1.202 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.964 -12.536 -0.287 1.00 0.00 H new ATOM 0 HG SER A 57 -10.981 -14.315 0.805 1.00 0.00 H new ATOM 913 N ASP A 58 -6.989 -12.957 -0.262 1.00 0.00 N ATOM 914 CA ASP A 58 -5.909 -13.810 -0.726 1.00 0.00 C ATOM 915 C ASP A 58 -4.646 -13.515 0.084 1.00 0.00 C ATOM 916 O ASP A 58 -3.711 -14.315 0.100 1.00 0.00 O ATOM 917 CB ASP A 58 -5.596 -13.550 -2.201 1.00 0.00 C ATOM 918 CG ASP A 58 -6.053 -14.648 -3.163 1.00 0.00 C ATOM 919 OD1 ASP A 58 -5.747 -15.825 -2.869 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.699 -14.288 -4.170 1.00 0.00 O ATOM 0 H ASP A 58 -7.338 -12.296 -0.956 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.222 -14.847 -0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.065 -12.611 -2.496 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.520 -13.417 -2.310 1.00 0.00 H new ATOM 925 N TYR A 59 -4.658 -12.363 0.739 1.00 0.00 N ATOM 926 CA TYR A 59 -3.525 -11.951 1.551 1.00 0.00 C ATOM 927 C TYR A 59 -3.783 -12.227 3.033 1.00 0.00 C ATOM 928 O TYR A 59 -2.872 -12.128 3.854 1.00 0.00 O ATOM 929 CB TYR A 59 -3.383 -10.442 1.342 1.00 0.00 C ATOM 930 CG TYR A 59 -2.739 -10.055 0.010 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.587 -10.691 -0.409 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.307 -9.071 -0.772 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.981 -10.326 -1.663 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.700 -8.707 -2.025 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.566 -9.352 -2.409 1.00 0.00 C ATOM 936 OH TYR A 59 -0.993 -9.009 -3.594 1.00 0.00 O ATOM 0 H TYR A 59 -5.435 -11.702 0.724 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.628 -12.499 1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.370 -9.983 1.403 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.787 -10.028 2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.141 -11.461 0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.208 -8.573 -0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.081 -10.816 -2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.135 -7.939 -2.647 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.034 -8.856 -3.462 1.00 0.00 H new ATOM 946 N ASN A 60 -5.027 -12.570 3.330 1.00 0.00 N ATOM 947 CA ASN A 60 -5.417 -12.862 4.700 1.00 0.00 C ATOM 948 C ASN A 60 -5.093 -11.657 5.585 1.00 0.00 C ATOM 949 O ASN A 60 -4.302 -11.765 6.521 1.00 0.00 O ATOM 950 CB ASN A 60 -4.650 -14.068 5.245 1.00 0.00 C ATOM 951 CG ASN A 60 -5.264 -14.560 6.558 1.00 0.00 C ATOM 952 OD1 ASN A 60 -4.966 -14.069 7.634 1.00 0.00 O ATOM 953 ND2 ASN A 60 -6.135 -15.555 6.409 1.00 0.00 N ATOM 0 H ASN A 60 -5.779 -12.653 2.646 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.485 -13.080 4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.661 -14.873 4.510 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.606 -13.797 5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.599 -15.953 7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.339 -15.919 5.478 1.00 0.00 H new ATOM 960 N ILE A 61 -5.721 -10.537 5.259 1.00 0.00 N ATOM 961 CA ILE A 61 -5.509 -9.313 6.013 1.00 0.00 C ATOM 962 C ILE A 61 -6.335 -9.362 7.300 1.00 0.00 C ATOM 963 O ILE A 61 -7.420 -9.942 7.323 1.00 0.00 O ATOM 964 CB ILE A 61 -5.800 -8.090 5.141 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.594 -7.739 4.268 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.254 -6.904 5.995 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.954 -7.808 2.782 1.00 0.00 C ATOM 0 H ILE A 61 -6.377 -10.451 4.483 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.464 -9.224 6.309 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.622 -8.337 4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.241 -6.737 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.775 -8.426 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.454 -6.048 5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.162 -7.172 6.536 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.470 -6.647 6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.079 -7.554 2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.283 -8.817 2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.757 -7.102 2.569 1.00 0.00 H new ATOM 979 N GLN A 62 -5.790 -8.748 8.339 1.00 0.00 N ATOM 980 CA GLN A 62 -6.463 -8.715 9.626 1.00 0.00 C ATOM 981 C GLN A 62 -7.058 -7.328 9.878 1.00 0.00 C ATOM 982 O GLN A 62 -6.578 -6.335 9.335 1.00 0.00 O ATOM 983 CB GLN A 62 -5.510 -9.115 10.753 1.00 0.00 C ATOM 984 CG GLN A 62 -4.068 -8.729 10.417 1.00 0.00 C ATOM 985 CD GLN A 62 -3.134 -9.017 11.593 1.00 0.00 C ATOM 986 OE1 GLN A 62 -3.529 -9.550 12.617 1.00 0.00 O ATOM 987 NE2 GLN A 62 -1.876 -8.633 11.392 1.00 0.00 N ATOM 0 H GLN A 62 -4.890 -8.269 8.316 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.276 -9.440 9.608 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.813 -8.629 11.680 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.572 -10.190 10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.735 -9.283 9.539 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.021 -7.670 10.162 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.612 -8.192 10.511 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.176 -8.779 12.119 1.00 0.00 H new ATOM 996 N LYS A 63 -8.095 -7.306 10.703 1.00 0.00 N ATOM 997 CA LYS A 63 -8.761 -6.057 11.033 1.00 0.00 C ATOM 998 C LYS A 63 -7.717 -5.026 11.467 1.00 0.00 C ATOM 999 O LYS A 63 -6.851 -5.322 12.288 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.859 -6.294 12.071 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.329 -7.108 13.254 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.093 -8.426 13.399 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.317 -9.416 14.271 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.249 -10.314 14.989 1.00 0.00 N ATOM 0 H LYS A 63 -8.490 -8.132 11.152 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.265 -5.651 10.156 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.242 -5.337 12.426 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.694 -6.820 11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.268 -7.312 13.113 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.423 -6.527 14.171 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.072 -8.237 13.840 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.266 -8.861 12.414 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.641 -10.004 13.650 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.701 -8.873 14.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.707 -10.980 15.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.877 -9.749 15.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.819 -10.845 14.300 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.833 -3.836 10.894 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.910 -2.760 11.211 1.00 0.00 C ATOM 1020 C GLU A 64 -5.466 -3.214 10.981 1.00 0.00 C ATOM 1021 O GLU A 64 -4.640 -3.149 11.889 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.108 -2.273 12.648 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.572 -1.910 12.907 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.216 -2.892 13.887 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.463 -3.430 14.728 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.446 -3.082 13.774 1.00 0.00 O ATOM 0 H GLU A 64 -8.552 -3.594 10.212 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.118 -1.922 10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.793 -3.049 13.345 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.476 -1.404 12.832 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.634 -0.898 13.307 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.123 -1.915 11.967 1.00 0.00 H new ATOM 1033 N SER A 65 -5.209 -3.663 9.761 1.00 0.00 N ATOM 1034 CA SER A 65 -3.881 -4.127 9.400 1.00 0.00 C ATOM 1035 C SER A 65 -2.944 -2.933 9.207 1.00 0.00 C ATOM 1036 O SER A 65 -3.393 -1.789 9.156 1.00 0.00 O ATOM 1037 CB SER A 65 -3.922 -4.981 8.131 1.00 0.00 C ATOM 1038 OG SER A 65 -4.197 -6.349 8.418 1.00 0.00 O ATOM 0 H SER A 65 -5.898 -3.715 9.011 1.00 0.00 H new ATOM 0 HA SER A 65 -3.504 -4.749 10.212 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.684 -4.592 7.456 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.967 -4.904 7.611 1.00 0.00 H new ATOM 0 HG SER A 65 -5.016 -6.413 8.952 1.00 0.00 H new ATOM 1044 N THR A 66 -1.659 -3.240 9.103 1.00 0.00 N ATOM 1045 CA THR A 66 -0.656 -2.207 8.917 1.00 0.00 C ATOM 1046 C THR A 66 -0.114 -2.241 7.486 1.00 0.00 C ATOM 1047 O THR A 66 0.743 -3.061 7.162 1.00 0.00 O ATOM 1048 CB THR A 66 0.427 -2.401 9.980 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.170 -1.911 11.176 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.633 -1.485 9.762 1.00 0.00 C ATOM 0 H THR A 66 -1.290 -4.190 9.144 1.00 0.00 H new ATOM 0 HA THR A 66 -1.085 -1.213 9.046 1.00 0.00 H new ATOM 0 HB THR A 66 0.756 -3.440 9.977 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.464 -2.001 11.918 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.371 -1.663 10.544 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.077 -1.694 8.789 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.311 -0.444 9.798 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.639 -1.341 6.667 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.220 -1.258 5.278 1.00 0.00 C ATOM 1060 C LEU A 67 0.775 -0.107 5.119 1.00 0.00 C ATOM 1061 O LEU A 67 0.642 0.929 5.768 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.436 -1.150 4.357 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.272 -2.422 4.200 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.085 -2.704 5.465 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -3.158 -2.346 2.955 1.00 0.00 C ATOM 0 H LEU A 67 -1.351 -0.663 6.939 1.00 0.00 H new ATOM 0 HA LEU A 67 0.296 -2.171 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.083 -0.358 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.093 -0.840 3.370 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.592 -3.262 4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.670 -3.613 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.409 -2.832 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.756 -1.867 5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.741 -3.262 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.832 -1.493 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.533 -2.228 2.070 1.00 0.00 H new ATOM 1077 N HIS A 68 1.752 -0.327 4.250 1.00 0.00 N ATOM 1078 CA HIS A 68 2.769 0.680 3.997 1.00 0.00 C ATOM 1079 C HIS A 68 2.540 1.307 2.620 1.00 0.00 C ATOM 1080 O HIS A 68 2.722 0.650 1.597 1.00 0.00 O ATOM 1081 CB HIS A 68 4.171 0.086 4.152 1.00 0.00 C ATOM 1082 CG HIS A 68 4.924 0.596 5.357 1.00 0.00 C ATOM 1083 ND1 HIS A 68 5.938 -0.122 5.966 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.801 1.759 6.058 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.397 0.586 6.988 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.690 1.752 7.044 1.00 0.00 N ATOM 0 H HIS A 68 1.860 -1.187 3.713 1.00 0.00 H new ATOM 0 HA HIS A 68 2.690 1.476 4.738 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.089 -0.999 4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.749 0.307 3.255 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.099 2.552 5.847 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.191 0.292 7.659 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.823 2.495 7.730 1.00 0.00 H new ATOM 1094 N LEU A 69 2.142 2.570 2.639 1.00 0.00 N ATOM 1095 CA LEU A 69 1.887 3.294 1.405 1.00 0.00 C ATOM 1096 C LEU A 69 3.145 4.061 0.998 1.00 0.00 C ATOM 1097 O LEU A 69 3.449 5.109 1.567 1.00 0.00 O ATOM 1098 CB LEU A 69 0.647 4.178 1.551 1.00 0.00 C ATOM 1099 CG LEU A 69 0.642 5.467 0.726 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.686 5.158 -0.773 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.552 6.349 1.094 1.00 0.00 C ATOM 0 H LEU A 69 1.990 3.111 3.490 1.00 0.00 H new ATOM 0 HA LEU A 69 1.663 2.600 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.229 3.590 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.535 4.442 2.603 1.00 0.00 H new ATOM 0 HG LEU A 69 1.544 6.030 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.682 6.091 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.593 4.599 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.185 4.564 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.532 7.258 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.478 5.807 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.499 6.611 2.151 1.00 0.00 H new ATOM 1113 N VAL A 70 3.845 3.510 0.016 1.00 0.00 N ATOM 1114 CA VAL A 70 5.064 4.130 -0.473 1.00 0.00 C ATOM 1115 C VAL A 70 4.854 4.587 -1.918 1.00 0.00 C ATOM 1116 O VAL A 70 3.936 4.122 -2.593 1.00 0.00 O ATOM 1117 CB VAL A 70 6.242 3.166 -0.315 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.507 3.737 -0.958 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.478 2.826 1.158 1.00 0.00 C ATOM 0 H VAL A 70 3.590 2.641 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 70 5.305 5.015 0.116 1.00 0.00 H new ATOM 0 HB VAL A 70 5.992 2.241 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.329 3.033 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.332 3.903 -2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.763 4.683 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.320 2.139 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.697 3.739 1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.585 2.357 1.571 1.00 0.00 H new ATOM 1129 N LEU A 71 5.720 5.491 -2.351 1.00 0.00 N ATOM 1130 CA LEU A 71 5.641 6.015 -3.704 1.00 0.00 C ATOM 1131 C LEU A 71 6.420 5.097 -4.648 1.00 0.00 C ATOM 1132 O LEU A 71 7.335 4.394 -4.222 1.00 0.00 O ATOM 1133 CB LEU A 71 6.105 7.473 -3.743 1.00 0.00 C ATOM 1134 CG LEU A 71 7.544 7.730 -3.292 1.00 0.00 C ATOM 1135 CD1 LEU A 71 8.405 8.215 -4.461 1.00 0.00 C ATOM 1136 CD2 LEU A 71 7.585 8.701 -2.110 1.00 0.00 C ATOM 0 H LEU A 71 6.480 5.874 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 71 4.607 6.025 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.993 7.842 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.437 8.063 -3.115 1.00 0.00 H new ATOM 0 HG LEU A 71 7.967 6.786 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.423 8.391 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.414 7.458 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.992 9.142 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.620 8.866 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.137 9.650 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.028 8.280 -1.273 1.00 0.00 H new ATOM 1148 N ARG A 72 6.029 5.134 -5.914 1.00 0.00 N ATOM 1149 CA ARG A 72 6.679 4.314 -6.922 1.00 0.00 C ATOM 1150 C ARG A 72 7.942 5.007 -7.436 1.00 0.00 C ATOM 1151 O ARG A 72 8.181 6.175 -7.132 1.00 0.00 O ATOM 1152 CB ARG A 72 5.741 4.041 -8.099 1.00 0.00 C ATOM 1153 CG ARG A 72 6.071 2.704 -8.766 1.00 0.00 C ATOM 1154 CD ARG A 72 4.855 1.775 -8.763 1.00 0.00 C ATOM 1155 NE ARG A 72 5.246 0.431 -8.284 1.00 0.00 N ATOM 1156 CZ ARG A 72 6.165 -0.342 -8.880 1.00 0.00 C ATOM 1157 NH1 ARG A 72 6.792 0.092 -9.982 1.00 0.00 N ATOM 1158 NH2 ARG A 72 6.456 -1.548 -8.374 1.00 0.00 N ATOM 0 H ARG A 72 5.270 5.719 -6.264 1.00 0.00 H new ATOM 0 HA ARG A 72 6.945 3.365 -6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.708 4.032 -7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.825 4.846 -8.829 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.399 2.876 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.899 2.227 -8.242 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.075 2.186 -8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.438 1.705 -9.768 1.00 0.00 H new ATOM 0 HE ARG A 72 4.787 0.070 -7.448 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.570 1.010 -10.367 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.491 -0.496 -10.436 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.978 -1.878 -7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.155 -2.136 -8.827 1.00 0.00 H new ATOM 1172 N LEU A 73 8.719 4.258 -8.205 1.00 0.00 N ATOM 1173 CA LEU A 73 9.951 4.786 -8.764 1.00 0.00 C ATOM 1174 C LEU A 73 9.625 5.635 -9.994 1.00 0.00 C ATOM 1175 O LEU A 73 9.804 6.853 -9.977 1.00 0.00 O ATOM 1176 CB LEU A 73 10.941 3.653 -9.044 1.00 0.00 C ATOM 1177 CG LEU A 73 11.851 3.255 -7.880 1.00 0.00 C ATOM 1178 CD1 LEU A 73 12.551 1.924 -8.160 1.00 0.00 C ATOM 1179 CD2 LEU A 73 12.849 4.370 -7.558 1.00 0.00 C ATOM 0 H LEU A 73 8.519 3.289 -8.454 1.00 0.00 H new ATOM 0 HA LEU A 73 10.445 5.440 -8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.378 2.774 -9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.568 3.945 -9.886 1.00 0.00 H new ATOM 0 HG LEU A 73 11.230 3.112 -6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.191 1.665 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.804 1.143 -8.302 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.157 2.014 -9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.484 4.062 -6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.468 4.568 -8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.307 5.275 -7.284 1.00 0.00 H new ATOM 1191 N ARG A 74 9.154 4.960 -11.032 1.00 0.00 N ATOM 1192 CA ARG A 74 8.802 5.638 -12.268 1.00 0.00 C ATOM 1193 C ARG A 74 7.334 6.069 -12.238 1.00 0.00 C ATOM 1194 O ARG A 74 6.788 6.346 -11.171 1.00 0.00 O ATOM 1195 CB ARG A 74 9.035 4.731 -13.478 1.00 0.00 C ATOM 1196 CG ARG A 74 9.573 5.531 -14.667 1.00 0.00 C ATOM 1197 CD ARG A 74 8.952 5.048 -15.980 1.00 0.00 C ATOM 1198 NE ARG A 74 9.662 5.652 -17.128 1.00 0.00 N ATOM 1199 CZ ARG A 74 10.853 5.232 -17.580 1.00 0.00 C ATOM 1200 NH1 ARG A 74 11.473 4.206 -16.981 1.00 0.00 N ATOM 1201 NH2 ARG A 74 11.424 5.841 -18.628 1.00 0.00 N ATOM 0 H ARG A 74 9.008 3.951 -11.043 1.00 0.00 H new ATOM 0 HA ARG A 74 9.440 6.517 -12.358 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.741 3.943 -13.216 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.101 4.243 -13.756 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.356 6.590 -14.526 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.657 5.432 -14.716 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.006 3.961 -16.039 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.896 5.317 -16.013 1.00 0.00 H new ATOM 0 HE ARG A 74 9.219 6.437 -17.606 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.039 3.745 -16.181 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.379 3.887 -17.325 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.953 6.624 -19.082 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.330 5.522 -18.972 1.00 0.00 H new ATOM 1215 N GLY A 75 6.739 6.114 -13.420 1.00 0.00 N ATOM 1216 CA GLY A 75 5.346 6.507 -13.542 1.00 0.00 C ATOM 1217 C GLY A 75 4.571 5.518 -14.415 1.00 0.00 C ATOM 1218 O GLY A 75 4.936 4.348 -14.507 1.00 0.00 O ATOM 0 H GLY A 75 7.196 5.885 -14.302 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.891 6.558 -12.553 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.283 7.506 -13.974 1.00 0.00 H new ATOM 1222 N GLY A 76 3.514 6.026 -15.034 1.00 0.00 N ATOM 1223 CA GLY A 76 2.685 5.201 -15.897 1.00 0.00 C ATOM 1224 C GLY A 76 2.357 5.931 -17.202 1.00 0.00 C ATOM 1225 O GLY A 76 1.335 6.607 -17.299 1.00 0.00 O ATOM 0 H GLY A 76 3.213 6.997 -14.955 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.201 4.267 -16.118 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.762 4.940 -15.380 1.00 0.00 H new TER 1229 GLY A 76