USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 619 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 32 GLN : amide:sc= 0.986 K(o=1.8,f=-1.2) USER MOD Set 1.2: A 48 GLN : amide:sc= 0.857 K(o=1.8,f=-1.8) USER MOD Set 2.1: A 13 THR OG1 : rot 65:sc= 1.74 USER MOD Set 2.2: A 41 GLN : amide:sc= 1.26 K(o=3,f=-0.56!) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.24 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 151:sc= 0.877 (180deg=-1.44!) USER MOD Single : A 7 MET CE :methyl 171:sc= -0.0532 (180deg=-0.15) USER MOD Single : A 8 LYS NZ :NH3+ -155:sc= 1.01 (180deg=0.806) USER MOD Single : A 12 MET CE :methyl -148:sc=-0.00194 (180deg=-0.205) USER MOD Single : A 15 HIS : no HD1:sc= -0.0106 K(o=-0.011,f=-0.95) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00454 USER MOD Single : A 18 THR OG1 : rot 170:sc= -0.038 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 82:sc= 0.564 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0735) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 2.36 (180deg=2.15) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.06 K(o=1.1,f=-0.43) USER MOD Single : A 44 THR OG1 : rot 86:sc= 0.00408 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0544 USER MOD Single : A 50 HIS : no HD1:sc= -0.0721 X(o=-0.072,f=-0.18) USER MOD Single : A 53 SER OG : rot -84:sc= 1.83 USER MOD Single : A 57 MET CE :methyl -114:sc= -0.751 (180deg=-5.24!) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 0.866 (180deg=-0.0154) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.126 K(o=-0.13,f=-4.2!) USER MOD Single : A 64 MET CE :methyl -104:sc= 0 (180deg=-0.0209) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0162) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.398 -0.657 17.135 1.00 0.00 N ATOM 2 CA GLY A 1 2.108 0.361 16.345 1.00 0.00 C ATOM 3 C GLY A 1 1.489 0.387 14.957 1.00 0.00 C ATOM 4 O GLY A 1 0.359 -0.081 14.820 1.00 0.00 O ATOM 0 H1 GLY A 1 1.286 -0.321 18.113 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.461 -0.829 16.718 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.945 -1.542 17.133 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.024 1.339 16.819 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.171 0.126 16.285 1.00 0.00 H new ATOM 10 N GLU A 2 2.211 0.899 13.963 1.00 0.00 N ATOM 11 CA GLU A 2 1.802 0.820 12.571 1.00 0.00 C ATOM 12 C GLU A 2 1.734 -0.646 12.122 1.00 0.00 C ATOM 13 O GLU A 2 2.440 -1.490 12.677 1.00 0.00 O ATOM 14 CB GLU A 2 2.776 1.665 11.740 1.00 0.00 C ATOM 15 CG GLU A 2 4.227 1.159 11.754 1.00 0.00 C ATOM 16 CD GLU A 2 5.166 2.199 11.154 1.00 0.00 C ATOM 17 OE1 GLU A 2 5.246 2.255 9.909 1.00 0.00 O ATOM 18 OE2 GLU A 2 5.756 2.949 11.958 1.00 0.00 O ATOM 0 H GLU A 2 3.099 1.381 14.105 1.00 0.00 H new ATOM 0 HA GLU A 2 0.799 1.223 12.429 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.424 1.694 10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.758 2.689 12.112 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.530 0.936 12.777 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.299 0.229 11.190 1.00 0.00 H new ATOM 25 N VAL A 3 0.864 -0.963 11.160 1.00 0.00 N ATOM 26 CA VAL A 3 0.643 -2.301 10.657 1.00 0.00 C ATOM 27 C VAL A 3 1.034 -2.362 9.177 1.00 0.00 C ATOM 28 O VAL A 3 0.613 -1.509 8.394 1.00 0.00 O ATOM 29 CB VAL A 3 -0.791 -2.734 10.963 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.129 -2.576 12.451 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.824 -2.049 10.082 1.00 0.00 C ATOM 0 H VAL A 3 0.279 -0.264 10.701 1.00 0.00 H new ATOM 0 HA VAL A 3 1.282 -3.026 11.161 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.840 -3.796 10.721 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.157 -2.894 12.626 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.452 -3.190 13.045 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.019 -1.531 12.740 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.821 -2.400 10.350 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.768 -0.970 10.227 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.625 -2.285 9.037 1.00 0.00 H new ATOM 41 N VAL A 4 1.872 -3.341 8.810 1.00 0.00 N ATOM 42 CA VAL A 4 2.421 -3.519 7.484 1.00 0.00 C ATOM 43 C VAL A 4 1.459 -4.332 6.622 1.00 0.00 C ATOM 44 O VAL A 4 1.346 -5.544 6.782 1.00 0.00 O ATOM 45 CB VAL A 4 3.855 -4.053 7.555 1.00 0.00 C ATOM 46 CG1 VAL A 4 4.023 -5.155 8.585 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.319 -4.548 6.190 1.00 0.00 C ATOM 0 H VAL A 4 2.191 -4.054 9.466 1.00 0.00 H new ATOM 0 HA VAL A 4 2.515 -2.558 6.979 1.00 0.00 H new ATOM 0 HB VAL A 4 4.477 -3.215 7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.059 -5.494 8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.761 -4.774 9.572 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.369 -5.990 8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.340 -4.922 6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.663 -5.350 5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.286 -3.726 5.475 1.00 0.00 H new ATOM 57 N LEU A 5 0.755 -3.664 5.710 1.00 0.00 N ATOM 58 CA LEU A 5 -0.248 -4.262 4.858 1.00 0.00 C ATOM 59 C LEU A 5 0.454 -4.681 3.573 1.00 0.00 C ATOM 60 O LEU A 5 0.768 -3.846 2.723 1.00 0.00 O ATOM 61 CB LEU A 5 -1.374 -3.241 4.625 1.00 0.00 C ATOM 62 CG LEU A 5 -2.775 -3.852 4.479 1.00 0.00 C ATOM 63 CD1 LEU A 5 -2.865 -4.797 3.289 1.00 0.00 C ATOM 64 CD2 LEU A 5 -3.226 -4.577 5.748 1.00 0.00 C ATOM 0 H LEU A 5 0.877 -2.665 5.546 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.712 -5.142 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.385 -2.537 5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.147 -2.669 3.726 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.448 -3.012 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.873 -5.206 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.635 -4.252 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.151 -5.611 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.222 -4.992 5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.528 -5.383 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.250 -3.873 6.580 1.00 0.00 H new ATOM 76 N LYS A 6 0.739 -5.978 3.458 1.00 0.00 N ATOM 77 CA LYS A 6 1.293 -6.577 2.280 1.00 0.00 C ATOM 78 C LYS A 6 0.176 -6.782 1.269 1.00 0.00 C ATOM 79 O LYS A 6 -0.810 -7.462 1.555 1.00 0.00 O ATOM 80 CB LYS A 6 1.949 -7.896 2.697 1.00 0.00 C ATOM 81 CG LYS A 6 3.445 -7.668 2.905 1.00 0.00 C ATOM 82 CD LYS A 6 4.152 -7.432 1.562 1.00 0.00 C ATOM 83 CE LYS A 6 5.623 -7.879 1.557 1.00 0.00 C ATOM 84 NZ LYS A 6 5.771 -9.349 1.480 1.00 0.00 N ATOM 0 H LYS A 6 0.580 -6.646 4.212 1.00 0.00 H new ATOM 0 HA LYS A 6 2.049 -5.946 1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.494 -8.268 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.787 -8.655 1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.599 -6.809 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.883 -8.532 3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.615 -7.967 0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.102 -6.371 1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.135 -7.421 0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.112 -7.515 2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.665 -9.583 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.776 -9.748 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.976 -9.750 0.942 1.00 0.00 H new ATOM 98 N MET A 7 0.329 -6.173 0.095 1.00 0.00 N ATOM 99 CA MET A 7 -0.599 -6.302 -1.006 1.00 0.00 C ATOM 100 C MET A 7 0.181 -6.824 -2.201 1.00 0.00 C ATOM 101 O MET A 7 1.120 -6.169 -2.640 1.00 0.00 O ATOM 102 CB MET A 7 -1.271 -4.964 -1.323 1.00 0.00 C ATOM 103 CG MET A 7 -1.104 -3.915 -0.214 1.00 0.00 C ATOM 104 SD MET A 7 -2.041 -2.385 -0.460 1.00 0.00 S ATOM 105 CE MET A 7 -3.755 -2.941 -0.340 1.00 0.00 C ATOM 0 H MET A 7 1.121 -5.565 -0.113 1.00 0.00 H new ATOM 0 HA MET A 7 -1.399 -6.995 -0.747 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.856 -4.569 -2.251 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.334 -5.132 -1.495 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.406 -4.360 0.734 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.046 -3.666 -0.127 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.417 -2.076 -0.314 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.999 -3.559 -1.204 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.885 -3.525 0.571 1.00 0.00 H new ATOM 115 N LYS A 8 -0.177 -7.993 -2.725 1.00 0.00 N ATOM 116 CA LYS A 8 0.505 -8.509 -3.906 1.00 0.00 C ATOM 117 C LYS A 8 -0.079 -7.794 -5.118 1.00 0.00 C ATOM 118 O LYS A 8 -1.271 -7.933 -5.380 1.00 0.00 O ATOM 119 CB LYS A 8 0.392 -10.036 -3.965 1.00 0.00 C ATOM 120 CG LYS A 8 1.206 -10.653 -5.105 1.00 0.00 C ATOM 121 CD LYS A 8 0.609 -10.476 -6.512 1.00 0.00 C ATOM 122 CE LYS A 8 0.726 -11.762 -7.343 1.00 0.00 C ATOM 123 NZ LYS A 8 -0.542 -12.518 -7.331 1.00 0.00 N ATOM 0 H LYS A 8 -0.919 -8.589 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 8 1.576 -8.308 -3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.728 -10.456 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.656 -10.313 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.204 -10.215 -5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.323 -11.719 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.440 -10.190 -6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.122 -9.663 -7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.995 -11.513 -8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.528 -12.384 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.348 -13.524 -7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.000 -12.413 -6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.172 -12.150 -8.072 1.00 0.00 H new ATOM 137 N VAL A 9 0.727 -7.005 -5.825 1.00 0.00 N ATOM 138 CA VAL A 9 0.272 -6.183 -6.940 1.00 0.00 C ATOM 139 C VAL A 9 0.673 -6.872 -8.240 1.00 0.00 C ATOM 140 O VAL A 9 1.627 -7.640 -8.249 1.00 0.00 O ATOM 141 CB VAL A 9 0.846 -4.758 -6.826 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.176 -4.004 -5.672 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.360 -4.743 -6.600 1.00 0.00 C ATOM 0 H VAL A 9 1.726 -6.919 -5.636 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.813 -6.079 -6.924 1.00 0.00 H new ATOM 0 HB VAL A 9 0.639 -4.270 -7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.592 -2.999 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.897 -3.941 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.356 -4.535 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.707 -3.712 -6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.595 -5.271 -5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.857 -5.235 -7.435 1.00 0.00 H new ATOM 153 N GLU A 10 -0.049 -6.610 -9.328 1.00 0.00 N ATOM 154 CA GLU A 10 0.290 -7.146 -10.640 1.00 0.00 C ATOM 155 C GLU A 10 0.747 -5.984 -11.534 1.00 0.00 C ATOM 156 O GLU A 10 0.379 -4.830 -11.299 1.00 0.00 O ATOM 157 CB GLU A 10 -0.907 -7.879 -11.258 1.00 0.00 C ATOM 158 CG GLU A 10 -1.628 -8.844 -10.297 1.00 0.00 C ATOM 159 CD GLU A 10 -0.913 -10.149 -9.968 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.142 -10.427 -10.573 1.00 0.00 O ATOM 161 OE2 GLU A 10 -1.456 -10.878 -9.103 1.00 0.00 O ATOM 0 H GLU A 10 -0.882 -6.022 -9.323 1.00 0.00 H new ATOM 0 HA GLU A 10 1.096 -7.874 -10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.624 -7.140 -11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.564 -8.440 -12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.816 -8.315 -9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.600 -9.088 -10.727 1.00 0.00 H new ATOM 168 N GLY A 11 1.527 -6.262 -12.578 1.00 0.00 N ATOM 169 CA GLY A 11 1.711 -5.345 -13.697 1.00 0.00 C ATOM 170 C GLY A 11 2.787 -4.285 -13.463 1.00 0.00 C ATOM 171 O GLY A 11 3.565 -4.009 -14.377 1.00 0.00 O ATOM 0 H GLY A 11 2.050 -7.133 -12.670 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.970 -5.920 -14.586 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.764 -4.847 -13.904 1.00 0.00 H new ATOM 175 N MET A 12 2.828 -3.672 -12.274 1.00 0.00 N ATOM 176 CA MET A 12 3.798 -2.629 -11.948 1.00 0.00 C ATOM 177 C MET A 12 5.236 -3.152 -12.035 1.00 0.00 C ATOM 178 O MET A 12 5.816 -3.600 -11.045 1.00 0.00 O ATOM 179 CB MET A 12 3.518 -2.014 -10.572 1.00 0.00 C ATOM 180 CG MET A 12 2.255 -1.146 -10.582 1.00 0.00 C ATOM 181 SD MET A 12 2.059 -0.030 -9.169 1.00 0.00 S ATOM 182 CE MET A 12 1.586 -1.197 -7.883 1.00 0.00 C ATOM 0 H MET A 12 2.186 -3.889 -11.511 1.00 0.00 H new ATOM 0 HA MET A 12 3.687 -1.841 -12.693 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.407 -2.809 -9.835 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.371 -1.410 -10.263 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.253 -0.551 -11.495 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.386 -1.802 -10.627 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.913 -0.709 -7.178 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.081 -2.051 -8.334 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.477 -1.539 -7.357 1.00 0.00 H new ATOM 192 N THR A 13 5.801 -3.092 -13.239 1.00 0.00 N ATOM 193 CA THR A 13 7.134 -3.564 -13.576 1.00 0.00 C ATOM 194 C THR A 13 8.009 -2.384 -14.022 1.00 0.00 C ATOM 195 O THR A 13 8.817 -2.521 -14.938 1.00 0.00 O ATOM 196 CB THR A 13 7.028 -4.660 -14.656 1.00 0.00 C ATOM 197 OG1 THR A 13 5.887 -5.481 -14.460 1.00 0.00 O ATOM 198 CG2 THR A 13 8.256 -5.573 -14.636 1.00 0.00 C ATOM 0 H THR A 13 5.315 -2.693 -14.042 1.00 0.00 H new ATOM 0 HA THR A 13 7.613 -4.005 -12.702 1.00 0.00 H new ATOM 0 HB THR A 13 6.953 -4.139 -15.611 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.075 -4.946 -14.578 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.154 -6.336 -15.407 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.152 -4.982 -14.826 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.337 -6.052 -13.660 1.00 0.00 H new ATOM 206 N CYS A 14 7.862 -1.219 -13.383 1.00 0.00 N ATOM 207 CA CYS A 14 8.758 -0.087 -13.561 1.00 0.00 C ATOM 208 C CYS A 14 8.685 0.757 -12.295 1.00 0.00 C ATOM 209 O CYS A 14 7.761 0.594 -11.498 1.00 0.00 O ATOM 210 CB CYS A 14 8.409 0.725 -14.816 1.00 0.00 C ATOM 211 SG CYS A 14 6.950 1.793 -14.700 1.00 0.00 S ATOM 0 H CYS A 14 7.107 -1.040 -12.721 1.00 0.00 H new ATOM 0 HA CYS A 14 9.779 -0.436 -13.717 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.268 1.345 -15.072 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.260 0.030 -15.643 1.00 0.00 H new ATOM 216 N HIS A 15 9.672 1.633 -12.106 1.00 0.00 N ATOM 217 CA HIS A 15 9.749 2.468 -10.918 1.00 0.00 C ATOM 218 C HIS A 15 8.758 3.631 -10.988 1.00 0.00 C ATOM 219 O HIS A 15 8.413 4.209 -9.960 1.00 0.00 O ATOM 220 CB HIS A 15 11.190 2.953 -10.699 1.00 0.00 C ATOM 221 CG HIS A 15 11.567 2.975 -9.240 1.00 0.00 C ATOM 222 ND1 HIS A 15 11.847 1.865 -8.477 1.00 0.00 N ATOM 223 CD2 HIS A 15 11.629 4.069 -8.420 1.00 0.00 C ATOM 224 CE1 HIS A 15 12.074 2.284 -7.220 1.00 0.00 C ATOM 225 NE2 HIS A 15 11.958 3.620 -7.138 1.00 0.00 N ATOM 0 H HIS A 15 10.433 1.780 -12.769 1.00 0.00 H new ATOM 0 HA HIS A 15 9.465 1.866 -10.055 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.877 2.302 -11.240 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.302 3.953 -11.117 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.455 5.094 -8.711 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.316 1.636 -6.391 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.085 4.194 -6.304 1.00 0.00 H new ATOM 233 N SER A 16 8.316 4.000 -12.196 1.00 0.00 N ATOM 234 CA SER A 16 7.396 5.102 -12.391 1.00 0.00 C ATOM 235 C SER A 16 6.109 4.860 -11.606 1.00 0.00 C ATOM 236 O SER A 16 5.775 5.662 -10.741 1.00 0.00 O ATOM 237 CB SER A 16 7.131 5.305 -13.886 1.00 0.00 C ATOM 238 OG SER A 16 8.369 5.312 -14.575 1.00 0.00 O ATOM 0 H SER A 16 8.593 3.535 -13.061 1.00 0.00 H new ATOM 0 HA SER A 16 7.841 6.021 -12.009 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.492 4.508 -14.267 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.603 6.244 -14.051 1.00 0.00 H new ATOM 0 HG SER A 16 8.209 5.440 -15.533 1.00 0.00 H new ATOM 244 N CYS A 17 5.405 3.755 -11.881 1.00 0.00 N ATOM 245 CA CYS A 17 4.144 3.456 -11.219 1.00 0.00 C ATOM 246 C CYS A 17 4.315 3.474 -9.701 1.00 0.00 C ATOM 247 O CYS A 17 3.590 4.175 -8.990 1.00 0.00 O ATOM 248 CB CYS A 17 3.607 2.098 -11.686 1.00 0.00 C ATOM 249 SG CYS A 17 3.458 1.877 -13.479 1.00 0.00 S ATOM 0 H CYS A 17 5.696 3.054 -12.563 1.00 0.00 H new ATOM 0 HA CYS A 17 3.421 4.226 -11.489 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.261 1.318 -11.297 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.625 1.944 -11.238 1.00 0.00 H new ATOM 254 N THR A 18 5.289 2.703 -9.212 1.00 0.00 N ATOM 255 CA THR A 18 5.521 2.544 -7.791 1.00 0.00 C ATOM 256 C THR A 18 5.807 3.902 -7.151 1.00 0.00 C ATOM 257 O THR A 18 5.120 4.291 -6.211 1.00 0.00 O ATOM 258 CB THR A 18 6.642 1.528 -7.542 1.00 0.00 C ATOM 259 OG1 THR A 18 7.862 1.980 -8.089 1.00 0.00 O ATOM 260 CG2 THR A 18 6.314 0.169 -8.171 1.00 0.00 C ATOM 0 H THR A 18 5.935 2.174 -9.798 1.00 0.00 H new ATOM 0 HA THR A 18 4.623 2.146 -7.318 1.00 0.00 H new ATOM 0 HB THR A 18 6.733 1.419 -6.461 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.592 1.402 -7.783 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.129 -0.528 -7.976 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.392 -0.220 -7.738 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.187 0.287 -9.247 1.00 0.00 H new ATOM 268 N SER A 19 6.789 4.639 -7.674 1.00 0.00 N ATOM 269 CA SER A 19 7.170 5.954 -7.175 1.00 0.00 C ATOM 270 C SER A 19 5.992 6.930 -7.229 1.00 0.00 C ATOM 271 O SER A 19 5.738 7.629 -6.253 1.00 0.00 O ATOM 272 CB SER A 19 8.376 6.468 -7.970 1.00 0.00 C ATOM 273 OG SER A 19 8.871 7.671 -7.416 1.00 0.00 O ATOM 0 H SER A 19 7.349 4.330 -8.469 1.00 0.00 H new ATOM 0 HA SER A 19 7.456 5.872 -6.126 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.163 5.714 -7.973 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.088 6.633 -9.008 1.00 0.00 H new ATOM 0 HG SER A 19 9.641 7.979 -7.938 1.00 0.00 H new ATOM 279 N THR A 20 5.248 6.986 -8.337 1.00 0.00 N ATOM 280 CA THR A 20 4.064 7.829 -8.440 1.00 0.00 C ATOM 281 C THR A 20 3.071 7.497 -7.324 1.00 0.00 C ATOM 282 O THR A 20 2.583 8.400 -6.642 1.00 0.00 O ATOM 283 CB THR A 20 3.439 7.697 -9.837 1.00 0.00 C ATOM 284 OG1 THR A 20 4.351 8.176 -10.805 1.00 0.00 O ATOM 285 CG2 THR A 20 2.144 8.504 -9.976 1.00 0.00 C ATOM 0 H THR A 20 5.451 6.450 -9.181 1.00 0.00 H new ATOM 0 HA THR A 20 4.352 8.872 -8.310 1.00 0.00 H new ATOM 0 HB THR A 20 3.210 6.642 -9.986 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.004 7.476 -11.014 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.742 8.377 -10.981 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.415 8.151 -9.247 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.352 9.559 -9.799 1.00 0.00 H new ATOM 293 N ILE A 21 2.771 6.212 -7.116 1.00 0.00 N ATOM 294 CA ILE A 21 1.907 5.794 -6.037 1.00 0.00 C ATOM 295 C ILE A 21 2.503 6.233 -4.700 1.00 0.00 C ATOM 296 O ILE A 21 1.794 6.818 -3.889 1.00 0.00 O ATOM 297 CB ILE A 21 1.667 4.280 -6.171 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.420 4.057 -7.022 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.471 3.604 -4.829 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.387 2.675 -7.666 1.00 0.00 C ATOM 0 H ILE A 21 3.123 5.447 -7.692 1.00 0.00 H new ATOM 0 HA ILE A 21 0.929 6.273 -6.085 1.00 0.00 H new ATOM 0 HB ILE A 21 2.551 3.842 -6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.467 4.185 -6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.376 4.818 -7.801 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.305 2.537 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.360 3.750 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.607 4.038 -4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.522 2.572 -8.259 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.257 2.553 -8.311 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.402 1.911 -6.889 1.00 0.00 H new ATOM 312 N GLU A 22 3.791 5.985 -4.469 1.00 0.00 N ATOM 313 CA GLU A 22 4.468 6.362 -3.239 1.00 0.00 C ATOM 314 C GLU A 22 4.323 7.863 -2.978 1.00 0.00 C ATOM 315 O GLU A 22 3.966 8.273 -1.876 1.00 0.00 O ATOM 316 CB GLU A 22 5.921 5.836 -3.242 1.00 0.00 C ATOM 317 CG GLU A 22 6.021 4.751 -2.159 1.00 0.00 C ATOM 318 CD GLU A 22 7.382 4.084 -2.003 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.320 4.776 -1.545 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.452 2.856 -2.224 1.00 0.00 O ATOM 0 H GLU A 22 4.396 5.512 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 22 3.989 5.882 -2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.179 5.427 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.622 6.646 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.744 5.194 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.283 3.979 -2.378 1.00 0.00 H new ATOM 327 N GLY A 23 4.522 8.683 -4.010 1.00 0.00 N ATOM 328 CA GLY A 23 4.287 10.113 -3.968 1.00 0.00 C ATOM 329 C GLY A 23 2.847 10.433 -3.571 1.00 0.00 C ATOM 330 O GLY A 23 2.618 11.213 -2.649 1.00 0.00 O ATOM 0 H GLY A 23 4.859 8.357 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.972 10.575 -3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.501 10.547 -4.945 1.00 0.00 H new ATOM 334 N LYS A 24 1.868 9.853 -4.276 1.00 0.00 N ATOM 335 CA LYS A 24 0.465 10.165 -4.038 1.00 0.00 C ATOM 336 C LYS A 24 0.074 9.750 -2.615 1.00 0.00 C ATOM 337 O LYS A 24 -0.345 10.563 -1.792 1.00 0.00 O ATOM 338 CB LYS A 24 -0.412 9.487 -5.110 1.00 0.00 C ATOM 339 CG LYS A 24 -1.727 10.240 -5.372 1.00 0.00 C ATOM 340 CD LYS A 24 -1.497 11.426 -6.326 1.00 0.00 C ATOM 341 CE LYS A 24 -2.800 12.129 -6.744 1.00 0.00 C ATOM 342 NZ LYS A 24 -3.615 11.321 -7.678 1.00 0.00 N ATOM 0 H LYS A 24 2.027 9.167 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 24 0.303 11.240 -4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.151 9.415 -6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.639 8.468 -4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.462 9.559 -5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.139 10.600 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.840 12.150 -5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.981 11.072 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.389 12.351 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.558 13.083 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.480 11.843 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.067 11.130 -8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.872 10.421 -7.225 1.00 0.00 H new ATOM 356 N ILE A 25 0.226 8.458 -2.342 1.00 0.00 N ATOM 357 CA ILE A 25 -0.168 7.814 -1.104 1.00 0.00 C ATOM 358 C ILE A 25 0.627 8.366 0.079 1.00 0.00 C ATOM 359 O ILE A 25 0.094 8.480 1.181 1.00 0.00 O ATOM 360 CB ILE A 25 -0.060 6.287 -1.233 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.920 5.703 -2.360 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.341 5.614 0.112 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.406 5.905 -2.130 1.00 0.00 C ATOM 0 H ILE A 25 0.645 7.809 -3.008 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.215 8.043 -0.905 1.00 0.00 H new ATOM 0 HB ILE A 25 0.968 6.068 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.637 6.167 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.713 4.637 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.260 4.533 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.384 5.959 0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.347 5.871 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.965 5.472 -2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.700 5.418 -1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.622 6.971 -2.065 1.00 0.00 H new ATOM 375 N GLY A 26 1.885 8.752 -0.142 1.00 0.00 N ATOM 376 CA GLY A 26 2.698 9.432 0.853 1.00 0.00 C ATOM 377 C GLY A 26 1.952 10.583 1.529 1.00 0.00 C ATOM 378 O GLY A 26 2.199 10.873 2.698 1.00 0.00 O ATOM 0 H GLY A 26 2.367 8.597 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.016 8.715 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.601 9.817 0.379 1.00 0.00 H new ATOM 382 N LYS A 27 1.039 11.247 0.811 1.00 0.00 N ATOM 383 CA LYS A 27 0.313 12.388 1.325 1.00 0.00 C ATOM 384 C LYS A 27 -0.880 12.004 2.221 1.00 0.00 C ATOM 385 O LYS A 27 -1.534 12.899 2.755 1.00 0.00 O ATOM 386 CB LYS A 27 -0.082 13.264 0.128 1.00 0.00 C ATOM 387 CG LYS A 27 -0.229 14.730 0.537 1.00 0.00 C ATOM 388 CD LYS A 27 -0.420 15.629 -0.692 1.00 0.00 C ATOM 389 CE LYS A 27 -0.507 17.117 -0.316 1.00 0.00 C ATOM 390 NZ LYS A 27 0.751 17.630 0.269 1.00 0.00 N ATOM 0 H LYS A 27 0.790 10.998 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 27 0.957 12.955 1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.672 13.176 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.021 12.906 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.081 14.840 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.655 15.047 1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.410 15.479 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.329 15.335 -1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.754 17.699 -1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.320 17.261 0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.694 18.664 0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.897 17.204 1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.548 17.383 -0.351 1.00 0.00 H new ATOM 404 N LEU A 28 -1.206 10.716 2.390 1.00 0.00 N ATOM 405 CA LEU A 28 -2.381 10.319 3.149 1.00 0.00 C ATOM 406 C LEU A 28 -2.194 10.499 4.652 1.00 0.00 C ATOM 407 O LEU A 28 -1.168 10.139 5.227 1.00 0.00 O ATOM 408 CB LEU A 28 -2.728 8.857 2.901 1.00 0.00 C ATOM 409 CG LEU A 28 -3.178 8.492 1.476 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.231 7.389 1.580 1.00 0.00 C ATOM 411 CD2 LEU A 28 -3.750 9.658 0.658 1.00 0.00 C ATOM 0 H LEU A 28 -0.668 9.938 2.009 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.185 10.970 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.856 8.252 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.521 8.572 3.593 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.284 8.172 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.567 7.112 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.798 6.518 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.080 7.750 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.039 9.302 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.624 10.065 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.994 10.437 0.557 1.00 0.00 H new ATOM 423 N GLN A 29 -3.253 10.982 5.298 1.00 0.00 N ATOM 424 CA GLN A 29 -3.298 11.182 6.731 1.00 0.00 C ATOM 425 C GLN A 29 -3.606 9.872 7.462 1.00 0.00 C ATOM 426 O GLN A 29 -4.754 9.590 7.792 1.00 0.00 O ATOM 427 CB GLN A 29 -4.274 12.322 7.045 1.00 0.00 C ATOM 428 CG GLN A 29 -5.722 12.002 6.642 1.00 0.00 C ATOM 429 CD GLN A 29 -6.399 13.180 5.950 1.00 0.00 C ATOM 430 OE1 GLN A 29 -6.767 14.157 6.592 1.00 0.00 O ATOM 431 NE2 GLN A 29 -6.555 13.112 4.631 1.00 0.00 N ATOM 0 H GLN A 29 -4.116 11.248 4.824 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.320 11.485 7.104 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.239 12.539 8.113 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.949 13.224 6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.730 11.138 5.977 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.292 11.727 7.529 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.239 12.286 4.122 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.990 13.885 4.128 1.00 0.00 H new ATOM 440 N GLY A 30 -2.575 9.065 7.715 1.00 0.00 N ATOM 441 CA GLY A 30 -2.735 7.800 8.426 1.00 0.00 C ATOM 442 C GLY A 30 -1.715 6.736 8.047 1.00 0.00 C ATOM 443 O GLY A 30 -1.591 5.729 8.747 1.00 0.00 O ATOM 0 H GLY A 30 -1.615 9.268 7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.666 7.988 9.498 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.736 7.413 8.234 1.00 0.00 H new ATOM 447 N VAL A 31 -0.991 6.940 6.946 1.00 0.00 N ATOM 448 CA VAL A 31 0.096 6.060 6.571 1.00 0.00 C ATOM 449 C VAL A 31 1.340 6.449 7.372 1.00 0.00 C ATOM 450 O VAL A 31 1.538 7.621 7.685 1.00 0.00 O ATOM 451 CB VAL A 31 0.306 6.140 5.047 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.491 5.290 4.571 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.955 5.668 4.310 1.00 0.00 C ATOM 0 H VAL A 31 -1.146 7.714 6.300 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.130 5.020 6.806 1.00 0.00 H new ATOM 0 HB VAL A 31 0.518 7.185 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.594 5.383 3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.405 5.637 5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.317 4.246 4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.792 5.730 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.172 4.636 4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.797 6.302 4.587 1.00 0.00 H new ATOM 463 N GLN A 32 2.152 5.453 7.726 1.00 0.00 N ATOM 464 CA GLN A 32 3.340 5.592 8.557 1.00 0.00 C ATOM 465 C GLN A 32 4.606 5.256 7.766 1.00 0.00 C ATOM 466 O GLN A 32 5.627 5.921 7.947 1.00 0.00 O ATOM 467 CB GLN A 32 3.194 4.693 9.786 1.00 0.00 C ATOM 468 CG GLN A 32 2.227 5.271 10.821 1.00 0.00 C ATOM 469 CD GLN A 32 2.934 6.187 11.822 1.00 0.00 C ATOM 470 OE1 GLN A 32 3.864 6.908 11.471 1.00 0.00 O ATOM 471 NE2 GLN A 32 2.509 6.181 13.081 1.00 0.00 N ATOM 0 H GLN A 32 1.991 4.491 7.428 1.00 0.00 H new ATOM 0 HA GLN A 32 3.436 6.628 8.883 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.842 3.710 9.474 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.172 4.550 10.246 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.442 5.830 10.311 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.741 4.456 11.357 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.735 5.576 13.355 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.957 6.782 13.773 1.00 0.00 H new ATOM 480 N ARG A 33 4.562 4.260 6.875 1.00 0.00 N ATOM 481 CA ARG A 33 5.650 3.878 5.984 1.00 0.00 C ATOM 482 C ARG A 33 4.989 3.286 4.744 1.00 0.00 C ATOM 483 O ARG A 33 3.831 2.878 4.785 1.00 0.00 O ATOM 484 CB ARG A 33 6.577 2.849 6.663 1.00 0.00 C ATOM 485 CG ARG A 33 8.069 3.030 6.343 1.00 0.00 C ATOM 486 CD ARG A 33 8.794 3.781 7.464 1.00 0.00 C ATOM 487 NE ARG A 33 8.151 5.077 7.730 1.00 0.00 N ATOM 488 CZ ARG A 33 8.638 6.312 7.546 1.00 0.00 C ATOM 489 NH1 ARG A 33 9.878 6.510 7.083 1.00 0.00 N ATOM 490 NH2 ARG A 33 7.845 7.350 7.819 1.00 0.00 N ATOM 0 H ARG A 33 3.733 3.678 6.754 1.00 0.00 H new ATOM 0 HA ARG A 33 6.275 4.733 5.727 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.439 2.911 7.742 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.272 1.848 6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.532 2.054 6.198 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.178 3.577 5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.793 3.177 8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.836 3.938 7.187 1.00 0.00 H new ATOM 0 HE ARG A 33 7.204 5.029 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.473 5.712 6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.228 7.459 6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.896 7.192 8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.188 8.302 7.689 1.00 0.00 H new ATOM 504 N ILE A 34 5.703 3.239 3.627 1.00 0.00 N ATOM 505 CA ILE A 34 5.160 2.721 2.404 1.00 0.00 C ATOM 506 C ILE A 34 6.348 2.250 1.590 1.00 0.00 C ATOM 507 O ILE A 34 7.297 3.024 1.439 1.00 0.00 O ATOM 508 CB ILE A 34 4.311 3.793 1.710 1.00 0.00 C ATOM 509 CG1 ILE A 34 3.910 3.248 0.335 1.00 0.00 C ATOM 510 CG2 ILE A 34 4.972 5.181 1.625 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.788 4.051 -0.321 1.00 0.00 C ATOM 0 H ILE A 34 6.669 3.560 3.556 1.00 0.00 H new ATOM 0 HA ILE A 34 4.479 1.884 2.558 1.00 0.00 H new ATOM 0 HB ILE A 34 3.428 3.980 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.782 3.251 -0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.593 2.210 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.300 5.874 1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.181 5.547 2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.904 5.106 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.549 3.616 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.903 4.027 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.110 5.084 -0.455 1.00 0.00 H new ATOM 523 N LYS A 35 6.336 0.995 1.132 1.00 0.00 N ATOM 524 CA LYS A 35 7.315 0.491 0.201 1.00 0.00 C ATOM 525 C LYS A 35 6.708 -0.329 -0.942 1.00 0.00 C ATOM 526 O LYS A 35 6.335 -1.481 -0.755 1.00 0.00 O ATOM 527 CB LYS A 35 8.505 -0.159 0.924 1.00 0.00 C ATOM 528 CG LYS A 35 9.541 0.855 1.449 1.00 0.00 C ATOM 529 CD LYS A 35 10.247 1.634 0.322 1.00 0.00 C ATOM 530 CE LYS A 35 10.713 3.038 0.721 1.00 0.00 C ATOM 531 NZ LYS A 35 9.622 4.026 0.559 1.00 0.00 N ATOM 0 H LYS A 35 5.636 0.306 1.407 1.00 0.00 H new ATOM 0 HA LYS A 35 7.739 1.349 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.132 -0.750 1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.000 -0.850 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.045 1.561 2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.288 0.328 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.110 1.060 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.568 1.717 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.052 3.032 1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.566 3.330 0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.876 4.907 1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.478 4.222 -0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.744 3.644 0.966 1.00 0.00 H new ATOM 545 N VAL A 36 6.582 0.263 -2.134 1.00 0.00 N ATOM 546 CA VAL A 36 5.970 -0.397 -3.279 1.00 0.00 C ATOM 547 C VAL A 36 7.052 -1.039 -4.158 1.00 0.00 C ATOM 548 O VAL A 36 7.689 -0.370 -4.969 1.00 0.00 O ATOM 549 CB VAL A 36 5.030 0.576 -4.010 1.00 0.00 C ATOM 550 CG1 VAL A 36 4.257 -0.152 -5.117 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.003 1.146 -3.021 1.00 0.00 C ATOM 0 H VAL A 36 6.903 1.212 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 36 5.335 -1.222 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 36 5.637 1.372 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.597 0.552 -5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.960 -0.572 -5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.664 -0.955 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.339 1.835 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.418 0.331 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.522 1.677 -2.223 1.00 0.00 H new ATOM 561 N SER A 37 7.259 -2.347 -3.988 1.00 0.00 N ATOM 562 CA SER A 37 8.284 -3.128 -4.665 1.00 0.00 C ATOM 563 C SER A 37 7.757 -3.685 -5.989 1.00 0.00 C ATOM 564 O SER A 37 6.735 -4.370 -6.019 1.00 0.00 O ATOM 565 CB SER A 37 8.740 -4.262 -3.756 1.00 0.00 C ATOM 566 OG SER A 37 9.065 -3.761 -2.473 1.00 0.00 O ATOM 0 H SER A 37 6.694 -2.907 -3.350 1.00 0.00 H new ATOM 0 HA SER A 37 9.132 -2.480 -4.887 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.952 -5.010 -3.673 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.607 -4.759 -4.190 1.00 0.00 H new ATOM 0 HG SER A 37 9.355 -4.499 -1.897 1.00 0.00 H new ATOM 572 N LEU A 38 8.482 -3.430 -7.077 1.00 0.00 N ATOM 573 CA LEU A 38 8.125 -3.883 -8.413 1.00 0.00 C ATOM 574 C LEU A 38 8.628 -5.311 -8.632 1.00 0.00 C ATOM 575 O LEU A 38 7.900 -6.150 -9.157 1.00 0.00 O ATOM 576 CB LEU A 38 8.623 -2.912 -9.499 1.00 0.00 C ATOM 577 CG LEU A 38 10.037 -2.349 -9.279 1.00 0.00 C ATOM 578 CD1 LEU A 38 10.690 -2.047 -10.630 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.001 -1.055 -8.455 1.00 0.00 C ATOM 0 H LEU A 38 9.349 -2.893 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 38 7.038 -3.893 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.600 -3.425 -10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.924 -2.078 -9.566 1.00 0.00 H new ATOM 0 HG LEU A 38 10.611 -3.099 -8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.692 -1.648 -10.469 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.754 -2.964 -11.216 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.090 -1.314 -11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.016 -0.683 -8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.408 -0.306 -8.980 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.553 -1.256 -7.482 1.00 0.00 H new ATOM 591 N ASP A 39 9.861 -5.594 -8.199 1.00 0.00 N ATOM 592 CA ASP A 39 10.578 -6.846 -8.415 1.00 0.00 C ATOM 593 C ASP A 39 9.719 -8.026 -7.997 1.00 0.00 C ATOM 594 O ASP A 39 9.410 -8.907 -8.793 1.00 0.00 O ATOM 595 CB ASP A 39 11.870 -6.875 -7.580 1.00 0.00 C ATOM 596 CG ASP A 39 12.645 -5.563 -7.617 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.050 -4.563 -7.149 1.00 0.00 O ATOM 598 OD2 ASP A 39 13.788 -5.580 -8.115 1.00 0.00 O ATOM 0 H ASP A 39 10.409 -4.921 -7.663 1.00 0.00 H new ATOM 0 HA ASP A 39 10.817 -6.914 -9.476 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.620 -7.112 -6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.511 -7.677 -7.944 1.00 0.00 H new ATOM 603 N ASN A 40 9.331 -8.020 -6.717 1.00 0.00 N ATOM 604 CA ASN A 40 8.517 -9.078 -6.147 1.00 0.00 C ATOM 605 C ASN A 40 7.023 -8.803 -6.369 1.00 0.00 C ATOM 606 O ASN A 40 6.182 -9.468 -5.772 1.00 0.00 O ATOM 607 CB ASN A 40 8.839 -9.286 -4.665 1.00 0.00 C ATOM 608 CG ASN A 40 8.432 -10.683 -4.187 1.00 0.00 C ATOM 609 OD1 ASN A 40 8.871 -11.676 -4.757 1.00 0.00 O ATOM 610 ND2 ASN A 40 7.637 -10.813 -3.128 1.00 0.00 N ATOM 0 H ASN A 40 9.575 -7.282 -6.057 1.00 0.00 H new ATOM 0 HA ASN A 40 8.760 -10.006 -6.665 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.907 -9.142 -4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.321 -8.533 -4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.390 -11.742 -2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.275 -9.984 -2.658 1.00 0.00 H new ATOM 617 N GLN A 41 6.710 -7.783 -7.182 1.00 0.00 N ATOM 618 CA GLN A 41 5.407 -7.176 -7.403 1.00 0.00 C ATOM 619 C GLN A 41 4.533 -7.199 -6.138 1.00 0.00 C ATOM 620 O GLN A 41 3.496 -7.860 -6.056 1.00 0.00 O ATOM 621 CB GLN A 41 4.808 -7.703 -8.727 1.00 0.00 C ATOM 622 CG GLN A 41 4.331 -6.559 -9.644 1.00 0.00 C ATOM 623 CD GLN A 41 4.411 -6.908 -11.130 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.670 -7.750 -11.631 1.00 0.00 O ATOM 625 NE2 GLN A 41 5.287 -6.217 -11.854 1.00 0.00 N ATOM 0 H GLN A 41 7.429 -7.330 -7.745 1.00 0.00 H new ATOM 0 HA GLN A 41 5.490 -6.102 -7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.555 -8.299 -9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.970 -8.364 -8.507 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.302 -6.304 -9.392 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.935 -5.672 -9.452 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.887 -5.525 -11.405 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.359 -6.379 -12.859 1.00 0.00 H new ATOM 634 N GLU A 42 4.976 -6.434 -5.133 1.00 0.00 N ATOM 635 CA GLU A 42 4.393 -6.403 -3.801 1.00 0.00 C ATOM 636 C GLU A 42 4.454 -4.995 -3.219 1.00 0.00 C ATOM 637 O GLU A 42 5.443 -4.287 -3.376 1.00 0.00 O ATOM 638 CB GLU A 42 5.138 -7.371 -2.877 1.00 0.00 C ATOM 639 CG GLU A 42 4.273 -8.583 -2.529 1.00 0.00 C ATOM 640 CD GLU A 42 4.954 -9.427 -1.467 1.00 0.00 C ATOM 641 OE1 GLU A 42 6.201 -9.393 -1.380 1.00 0.00 O ATOM 642 OE2 GLU A 42 4.239 -9.983 -0.606 1.00 0.00 O ATOM 0 H GLU A 42 5.772 -5.805 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 42 3.349 -6.707 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.057 -7.704 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.428 -6.854 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.298 -8.252 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.098 -9.182 -3.423 1.00 0.00 H new ATOM 649 N ALA A 43 3.399 -4.618 -2.503 1.00 0.00 N ATOM 650 CA ALA A 43 3.227 -3.323 -1.884 1.00 0.00 C ATOM 651 C ALA A 43 3.204 -3.478 -0.365 1.00 0.00 C ATOM 652 O ALA A 43 2.361 -4.186 0.176 1.00 0.00 O ATOM 653 CB ALA A 43 1.942 -2.698 -2.422 1.00 0.00 C ATOM 0 H ALA A 43 2.609 -5.241 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 43 4.058 -2.660 -2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.795 -1.719 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.017 -2.587 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.096 -3.341 -2.181 1.00 0.00 H new ATOM 659 N THR A 44 4.148 -2.821 0.305 1.00 0.00 N ATOM 660 CA THR A 44 4.307 -2.708 1.744 1.00 0.00 C ATOM 661 C THR A 44 3.625 -1.420 2.192 1.00 0.00 C ATOM 662 O THR A 44 4.307 -0.426 2.415 1.00 0.00 O ATOM 663 CB THR A 44 5.830 -2.648 2.007 1.00 0.00 C ATOM 664 OG1 THR A 44 6.451 -3.742 1.360 1.00 0.00 O ATOM 665 CG2 THR A 44 6.186 -2.746 3.490 1.00 0.00 C ATOM 0 H THR A 44 4.880 -2.313 -0.191 1.00 0.00 H new ATOM 0 HA THR A 44 3.864 -3.542 2.289 1.00 0.00 H new ATOM 0 HB THR A 44 6.174 -1.685 1.630 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.641 -3.506 0.428 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.268 -2.698 3.608 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.725 -1.919 4.030 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.819 -3.691 3.891 1.00 0.00 H new ATOM 673 N ILE A 45 2.297 -1.400 2.310 1.00 0.00 N ATOM 674 CA ILE A 45 1.590 -0.202 2.756 1.00 0.00 C ATOM 675 C ILE A 45 1.523 -0.252 4.280 1.00 0.00 C ATOM 676 O ILE A 45 0.746 -1.032 4.822 1.00 0.00 O ATOM 677 CB ILE A 45 0.200 -0.141 2.095 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.296 0.049 0.570 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.660 0.970 2.706 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.659 1.466 0.134 1.00 0.00 C ATOM 0 H ILE A 45 1.693 -2.196 2.104 1.00 0.00 H new ATOM 0 HA ILE A 45 2.108 0.710 2.460 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.279 -1.101 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.041 -0.642 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.659 -0.223 0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.634 0.986 2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.792 0.784 3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.167 1.932 2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.705 1.511 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.098 2.163 0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.629 1.737 0.550 1.00 0.00 H new ATOM 692 N VAL A 46 2.347 0.532 4.981 1.00 0.00 N ATOM 693 CA VAL A 46 2.418 0.473 6.438 1.00 0.00 C ATOM 694 C VAL A 46 1.612 1.628 7.026 1.00 0.00 C ATOM 695 O VAL A 46 2.021 2.784 6.910 1.00 0.00 O ATOM 696 CB VAL A 46 3.871 0.466 6.934 1.00 0.00 C ATOM 697 CG1 VAL A 46 3.936 -0.050 8.373 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.776 -0.401 6.051 1.00 0.00 C ATOM 0 H VAL A 46 2.975 1.216 4.559 1.00 0.00 H new ATOM 0 HA VAL A 46 1.981 -0.465 6.781 1.00 0.00 H new ATOM 0 HB VAL A 46 4.230 1.494 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.972 -0.050 8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.342 0.597 9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.541 -1.065 8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.794 -0.377 6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.411 -1.428 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.767 -0.016 5.031 1.00 0.00 H new ATOM 708 N TYR A 47 0.453 1.336 7.626 1.00 0.00 N ATOM 709 CA TYR A 47 -0.483 2.373 8.046 1.00 0.00 C ATOM 710 C TYR A 47 -0.958 2.181 9.477 1.00 0.00 C ATOM 711 O TYR A 47 -0.610 1.202 10.134 1.00 0.00 O ATOM 712 CB TYR A 47 -1.654 2.475 7.056 1.00 0.00 C ATOM 713 CG TYR A 47 -2.694 1.379 7.192 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.510 0.147 6.542 1.00 0.00 C ATOM 715 CD2 TYR A 47 -3.836 1.578 7.993 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.445 -0.885 6.725 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.762 0.541 8.177 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.542 -0.706 7.579 1.00 0.00 C ATOM 719 OH TYR A 47 -5.360 -1.759 7.857 1.00 0.00 O ATOM 0 H TYR A 47 0.144 0.386 7.830 1.00 0.00 H new ATOM 0 HA TYR A 47 0.051 3.323 8.034 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.143 3.440 7.190 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.257 2.457 6.041 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.652 -0.006 5.904 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.999 2.534 8.468 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.318 -1.823 6.204 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.644 0.704 8.779 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.072 -1.469 8.465 1.00 0.00 H new ATOM 729 N GLN A 48 -1.736 3.150 9.961 1.00 0.00 N ATOM 730 CA GLN A 48 -2.210 3.209 11.329 1.00 0.00 C ATOM 731 C GLN A 48 -3.709 2.865 11.387 1.00 0.00 C ATOM 732 O GLN A 48 -4.525 3.665 10.916 1.00 0.00 O ATOM 733 CB GLN A 48 -1.900 4.616 11.838 1.00 0.00 C ATOM 734 CG GLN A 48 -2.094 4.682 13.361 1.00 0.00 C ATOM 735 CD GLN A 48 -1.106 5.642 14.010 1.00 0.00 C ATOM 736 OE1 GLN A 48 0.073 5.323 14.129 1.00 0.00 O ATOM 737 NE2 GLN A 48 -1.565 6.809 14.445 1.00 0.00 N ATOM 0 H GLN A 48 -2.058 3.932 9.391 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.715 2.477 11.968 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.875 4.886 11.582 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.552 5.340 11.349 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.112 5.000 13.585 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.969 3.687 13.788 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.551 7.044 14.331 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.932 7.471 14.894 1.00 0.00 H new ATOM 746 N PRO A 49 -4.090 1.698 11.943 1.00 0.00 N ATOM 747 CA PRO A 49 -5.445 1.163 11.876 1.00 0.00 C ATOM 748 C PRO A 49 -6.387 1.923 12.811 1.00 0.00 C ATOM 749 O PRO A 49 -6.796 1.423 13.856 1.00 0.00 O ATOM 750 CB PRO A 49 -5.317 -0.323 12.226 1.00 0.00 C ATOM 751 CG PRO A 49 -4.143 -0.329 13.199 1.00 0.00 C ATOM 752 CD PRO A 49 -3.220 0.744 12.618 1.00 0.00 C ATOM 0 HA PRO A 49 -5.888 1.282 10.887 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.226 -0.713 12.684 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.118 -0.932 11.345 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.457 -0.087 14.214 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.656 -1.303 13.240 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.643 1.230 13.405 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.504 0.308 11.921 1.00 0.00 H new ATOM 760 N HIS A 50 -6.724 3.139 12.393 1.00 0.00 N ATOM 761 CA HIS A 50 -7.613 4.083 13.050 1.00 0.00 C ATOM 762 C HIS A 50 -7.734 5.324 12.168 1.00 0.00 C ATOM 763 O HIS A 50 -8.816 5.893 12.062 1.00 0.00 O ATOM 764 CB HIS A 50 -7.099 4.470 14.449 1.00 0.00 C ATOM 765 CG HIS A 50 -7.763 3.712 15.574 1.00 0.00 C ATOM 766 ND1 HIS A 50 -9.109 3.723 15.865 1.00 0.00 N ATOM 767 CD2 HIS A 50 -7.141 2.941 16.520 1.00 0.00 C ATOM 768 CE1 HIS A 50 -9.291 2.967 16.962 1.00 0.00 C ATOM 769 NE2 HIS A 50 -8.122 2.476 17.403 1.00 0.00 N ATOM 0 H HIS A 50 -6.353 3.516 11.520 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.589 3.616 13.186 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.024 4.296 14.492 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.256 5.538 14.601 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.083 2.730 16.575 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -10.248 2.780 17.426 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -7.978 1.882 18.220 1.00 0.00 H new ATOM 777 N LEU A 51 -6.625 5.753 11.553 1.00 0.00 N ATOM 778 CA LEU A 51 -6.611 6.978 10.767 1.00 0.00 C ATOM 779 C LEU A 51 -7.132 6.748 9.350 1.00 0.00 C ATOM 780 O LEU A 51 -7.925 7.547 8.861 1.00 0.00 O ATOM 781 CB LEU A 51 -5.216 7.594 10.762 1.00 0.00 C ATOM 782 CG LEU A 51 -4.770 8.072 12.157 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.299 8.498 12.121 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.595 9.264 12.662 1.00 0.00 C ATOM 0 H LEU A 51 -5.730 5.265 11.589 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.291 7.687 11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.501 6.861 10.388 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.198 8.437 10.071 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.921 7.232 12.835 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.993 8.834 13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.682 7.652 11.819 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.173 9.312 11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.239 9.561 13.649 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.487 10.100 11.971 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.645 8.979 12.725 1.00 0.00 H new ATOM 796 N ILE A 52 -6.670 5.683 8.686 1.00 0.00 N ATOM 797 CA ILE A 52 -6.980 5.384 7.305 1.00 0.00 C ATOM 798 C ILE A 52 -7.305 3.891 7.204 1.00 0.00 C ATOM 799 O ILE A 52 -6.784 3.101 7.993 1.00 0.00 O ATOM 800 CB ILE A 52 -5.766 5.816 6.458 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.216 6.370 5.118 1.00 0.00 C ATOM 802 CG2 ILE A 52 -4.748 4.694 6.220 1.00 0.00 C ATOM 803 CD1 ILE A 52 -6.682 7.825 5.221 1.00 0.00 C ATOM 0 H ILE A 52 -6.054 4.993 9.116 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.851 5.922 6.931 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.265 6.588 7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.395 6.303 4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.028 5.757 4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.923 5.073 5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.365 4.341 7.178 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.231 3.869 5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.994 8.178 4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.521 7.890 5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.863 8.445 5.585 1.00 0.00 H new ATOM 815 N SER A 53 -8.180 3.505 6.274 1.00 0.00 N ATOM 816 CA SER A 53 -8.690 2.147 6.148 1.00 0.00 C ATOM 817 C SER A 53 -7.979 1.378 5.035 1.00 0.00 C ATOM 818 O SER A 53 -7.455 1.965 4.088 1.00 0.00 O ATOM 819 CB SER A 53 -10.197 2.205 5.869 1.00 0.00 C ATOM 820 OG SER A 53 -10.443 2.810 4.615 1.00 0.00 O ATOM 0 H SER A 53 -8.559 4.144 5.575 1.00 0.00 H new ATOM 0 HA SER A 53 -8.501 1.617 7.082 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.615 1.198 5.882 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.698 2.769 6.656 1.00 0.00 H new ATOM 0 HG SER A 53 -10.449 3.785 4.718 1.00 0.00 H new ATOM 826 N VAL A 54 -8.036 0.043 5.112 1.00 0.00 N ATOM 827 CA VAL A 54 -7.677 -0.831 4.002 1.00 0.00 C ATOM 828 C VAL A 54 -8.385 -0.385 2.724 1.00 0.00 C ATOM 829 O VAL A 54 -7.789 -0.407 1.650 1.00 0.00 O ATOM 830 CB VAL A 54 -8.053 -2.286 4.324 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.942 -3.180 3.084 1.00 0.00 C ATOM 832 CG2 VAL A 54 -7.153 -2.864 5.418 1.00 0.00 C ATOM 0 H VAL A 54 -8.334 -0.457 5.950 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.599 -0.769 3.850 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.086 -2.270 4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.215 -4.202 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.615 -2.813 2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.917 -3.162 2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.445 -3.894 5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.115 -2.840 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.257 -2.270 6.326 1.00 0.00 H new ATOM 842 N GLU A 55 -9.671 -0.041 2.835 1.00 0.00 N ATOM 843 CA GLU A 55 -10.465 0.322 1.680 1.00 0.00 C ATOM 844 C GLU A 55 -9.847 1.559 1.033 1.00 0.00 C ATOM 845 O GLU A 55 -9.471 1.489 -0.120 1.00 0.00 O ATOM 846 CB GLU A 55 -11.935 0.473 2.070 1.00 0.00 C ATOM 847 CG GLU A 55 -12.920 -0.002 0.994 1.00 0.00 C ATOM 848 CD GLU A 55 -12.839 0.790 -0.302 1.00 0.00 C ATOM 849 OE1 GLU A 55 -13.021 2.024 -0.223 1.00 0.00 O ATOM 850 OE2 GLU A 55 -12.601 0.144 -1.348 1.00 0.00 O ATOM 0 H GLU A 55 -10.177 -0.009 3.720 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.455 -0.466 0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.116 -0.088 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.135 1.521 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.730 -1.054 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.934 0.065 1.388 1.00 0.00 H new ATOM 857 N GLU A 56 -9.629 2.644 1.777 1.00 0.00 N ATOM 858 CA GLU A 56 -8.919 3.821 1.317 1.00 0.00 C ATOM 859 C GLU A 56 -7.634 3.423 0.595 1.00 0.00 C ATOM 860 O GLU A 56 -7.457 3.816 -0.559 1.00 0.00 O ATOM 861 CB GLU A 56 -8.661 4.730 2.518 1.00 0.00 C ATOM 862 CG GLU A 56 -9.900 5.542 2.857 1.00 0.00 C ATOM 863 CD GLU A 56 -9.809 6.145 4.245 1.00 0.00 C ATOM 864 OE1 GLU A 56 -9.802 5.321 5.185 1.00 0.00 O ATOM 865 OE2 GLU A 56 -9.719 7.385 4.337 1.00 0.00 O ATOM 0 H GLU A 56 -9.953 2.723 2.741 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.518 4.371 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.368 4.129 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.830 5.401 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.027 6.337 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.782 4.905 2.794 1.00 0.00 H new ATOM 872 N MET A 57 -6.763 2.626 1.230 1.00 0.00 N ATOM 873 CA MET A 57 -5.601 2.107 0.546 1.00 0.00 C ATOM 874 C MET A 57 -5.941 1.482 -0.815 1.00 0.00 C ATOM 875 O MET A 57 -5.490 1.973 -1.848 1.00 0.00 O ATOM 876 CB MET A 57 -4.819 1.175 1.449 1.00 0.00 C ATOM 877 CG MET A 57 -4.387 1.824 2.768 1.00 0.00 C ATOM 878 SD MET A 57 -3.957 3.583 2.811 1.00 0.00 S ATOM 879 CE MET A 57 -2.622 3.650 1.606 1.00 0.00 C ATOM 0 H MET A 57 -6.851 2.337 2.204 1.00 0.00 H new ATOM 0 HA MET A 57 -4.952 2.951 0.313 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.428 0.297 1.667 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.934 0.825 0.918 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.193 1.669 3.485 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.523 1.270 3.135 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.690 3.905 2.110 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.519 2.679 1.123 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.848 4.407 0.855 1.00 0.00 H new ATOM 889 N LYS A 58 -6.732 0.408 -0.835 1.00 0.00 N ATOM 890 CA LYS A 58 -7.117 -0.257 -2.072 1.00 0.00 C ATOM 891 C LYS A 58 -7.801 0.694 -3.033 1.00 0.00 C ATOM 892 O LYS A 58 -7.260 0.935 -4.095 1.00 0.00 O ATOM 893 CB LYS A 58 -7.900 -1.537 -1.790 1.00 0.00 C ATOM 894 CG LYS A 58 -8.929 -1.961 -2.846 1.00 0.00 C ATOM 895 CD LYS A 58 -9.537 -3.317 -2.453 1.00 0.00 C ATOM 896 CE LYS A 58 -11.018 -3.444 -2.836 1.00 0.00 C ATOM 897 NZ LYS A 58 -11.237 -3.416 -4.295 1.00 0.00 N ATOM 0 H LYS A 58 -7.120 -0.021 0.005 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.212 -0.575 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.187 -2.351 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.418 -1.416 -0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.713 -1.209 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.454 -2.033 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.973 -4.115 -2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.432 -3.458 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.414 -4.376 -2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.579 -2.632 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.227 -3.657 -4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.029 -2.464 -4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.610 -4.107 -4.754 1.00 0.00 H new ATOM 911 N LYS A 59 -8.967 1.220 -2.685 1.00 0.00 N ATOM 912 CA LYS A 59 -9.735 2.171 -3.461 1.00 0.00 C ATOM 913 C LYS A 59 -8.800 3.146 -4.160 1.00 0.00 C ATOM 914 O LYS A 59 -8.881 3.296 -5.376 1.00 0.00 O ATOM 915 CB LYS A 59 -10.742 2.880 -2.547 1.00 0.00 C ATOM 916 CG LYS A 59 -12.021 3.350 -3.249 1.00 0.00 C ATOM 917 CD LYS A 59 -11.824 4.649 -4.043 1.00 0.00 C ATOM 918 CE LYS A 59 -12.462 4.522 -5.431 1.00 0.00 C ATOM 919 NZ LYS A 59 -12.264 5.742 -6.239 1.00 0.00 N ATOM 0 H LYS A 59 -9.423 0.979 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.299 1.655 -4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.015 2.204 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.255 3.743 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.368 2.567 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.804 3.500 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.271 5.485 -3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.760 4.866 -4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.031 3.667 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.529 4.326 -5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.709 5.618 -7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.697 6.554 -5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.246 5.915 -6.362 1.00 0.00 H new ATOM 933 N GLN A 60 -7.893 3.789 -3.417 1.00 0.00 N ATOM 934 CA GLN A 60 -6.949 4.685 -4.070 1.00 0.00 C ATOM 935 C GLN A 60 -5.973 3.955 -5.002 1.00 0.00 C ATOM 936 O GLN A 60 -5.748 4.408 -6.123 1.00 0.00 O ATOM 937 CB GLN A 60 -6.202 5.510 -3.032 1.00 0.00 C ATOM 938 CG GLN A 60 -7.155 6.512 -2.364 1.00 0.00 C ATOM 939 CD GLN A 60 -6.403 7.564 -1.561 1.00 0.00 C ATOM 940 OE1 GLN A 60 -5.335 8.011 -1.968 1.00 0.00 O ATOM 941 NE2 GLN A 60 -6.961 8.000 -0.435 1.00 0.00 N ATOM 0 H GLN A 60 -7.797 3.709 -2.405 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.531 5.352 -4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.767 4.853 -2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.377 6.042 -3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.760 7.002 -3.127 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.842 5.977 -1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.850 7.609 -0.122 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.500 8.725 0.115 1.00 0.00 H new ATOM 950 N ILE A 61 -5.362 2.857 -4.555 1.00 0.00 N ATOM 951 CA ILE A 61 -4.391 2.127 -5.361 1.00 0.00 C ATOM 952 C ILE A 61 -5.069 1.513 -6.590 1.00 0.00 C ATOM 953 O ILE A 61 -4.738 1.883 -7.714 1.00 0.00 O ATOM 954 CB ILE A 61 -3.613 1.120 -4.506 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.783 1.939 -3.501 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.698 0.265 -5.403 1.00 0.00 C ATOM 957 CD1 ILE A 61 -1.993 1.059 -2.539 1.00 0.00 C ATOM 0 H ILE A 61 -5.526 2.454 -3.632 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.643 2.820 -5.745 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.285 0.439 -3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.094 2.585 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.447 2.589 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.149 -0.448 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.304 -0.275 -6.131 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.993 0.912 -5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.426 1.688 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.680 0.431 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.307 0.428 -3.103 1.00 0.00 H new ATOM 969 N GLU A 62 -6.028 0.601 -6.397 1.00 0.00 N ATOM 970 CA GLU A 62 -6.870 0.077 -7.453 1.00 0.00 C ATOM 971 C GLU A 62 -7.344 1.172 -8.413 1.00 0.00 C ATOM 972 O GLU A 62 -7.300 0.960 -9.623 1.00 0.00 O ATOM 973 CB GLU A 62 -8.071 -0.624 -6.799 1.00 0.00 C ATOM 974 CG GLU A 62 -8.197 -2.102 -7.156 1.00 0.00 C ATOM 975 CD GLU A 62 -9.395 -2.698 -6.431 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.359 -1.943 -6.167 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.340 -3.872 -6.003 1.00 0.00 O ATOM 0 H GLU A 62 -6.237 0.205 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.292 -0.627 -8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.989 -0.528 -5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.985 -0.110 -7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.316 -2.218 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.288 -2.634 -6.876 1.00 0.00 H new ATOM 984 N ALA A 63 -7.783 2.337 -7.910 1.00 0.00 N ATOM 985 CA ALA A 63 -8.264 3.405 -8.788 1.00 0.00 C ATOM 986 C ALA A 63 -7.238 3.821 -9.843 1.00 0.00 C ATOM 987 O ALA A 63 -7.629 4.240 -10.929 1.00 0.00 O ATOM 988 CB ALA A 63 -8.683 4.629 -7.980 1.00 0.00 C ATOM 0 H ALA A 63 -7.813 2.558 -6.915 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.127 2.994 -9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.036 5.408 -8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.483 4.355 -7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.829 5.001 -7.413 1.00 0.00 H new ATOM 994 N MET A 64 -5.938 3.730 -9.540 1.00 0.00 N ATOM 995 CA MET A 64 -4.905 3.956 -10.535 1.00 0.00 C ATOM 996 C MET A 64 -5.088 3.004 -11.724 1.00 0.00 C ATOM 997 O MET A 64 -4.931 3.409 -12.873 1.00 0.00 O ATOM 998 CB MET A 64 -3.530 3.742 -9.916 1.00 0.00 C ATOM 999 CG MET A 64 -3.205 4.652 -8.729 1.00 0.00 C ATOM 1000 SD MET A 64 -3.221 6.432 -9.058 1.00 0.00 S ATOM 1001 CE MET A 64 -2.433 7.033 -7.547 1.00 0.00 C ATOM 0 H MET A 64 -5.585 3.501 -8.611 1.00 0.00 H new ATOM 0 HA MET A 64 -4.986 4.983 -10.890 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.452 2.705 -9.591 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.774 3.892 -10.687 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.920 4.444 -7.933 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.219 4.382 -8.351 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.189 7.460 -6.888 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.937 6.205 -7.041 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.698 7.797 -7.799 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.402 1.736 -11.434 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.682 0.706 -12.425 1.00 0.00 C ATOM 1013 C GLY A 65 -5.137 -0.653 -11.983 1.00 0.00 C ATOM 1014 O GLY A 65 -5.534 -1.687 -12.513 1.00 0.00 O ATOM 0 H GLY A 65 -5.469 1.395 -10.475 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.758 0.634 -12.584 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.236 0.986 -13.380 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.201 -0.655 -11.032 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.433 -1.833 -10.670 1.00 0.00 C ATOM 1020 C PHE A 66 -4.239 -2.724 -9.724 1.00 0.00 C ATOM 1021 O PHE A 66 -4.542 -2.280 -8.618 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.158 -1.367 -9.972 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.352 -0.375 -10.781 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.780 -0.751 -12.011 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.292 0.963 -10.361 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.159 0.218 -12.819 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.663 1.929 -11.163 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.123 1.560 -12.403 1.00 0.00 C ATOM 0 H PHE A 66 -3.957 0.174 -10.490 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.194 -2.410 -11.563 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.422 -0.914 -9.016 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.536 -2.235 -9.753 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.818 -1.781 -12.333 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.731 1.251 -9.417 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.290 -0.069 -13.758 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.595 2.953 -10.826 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.322 2.309 -13.041 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.564 -3.973 -10.090 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.209 -4.878 -9.158 1.00 0.00 C ATOM 1040 C PRO A 67 -4.217 -5.210 -8.040 1.00 0.00 C ATOM 1041 O PRO A 67 -3.023 -5.382 -8.304 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.591 -6.106 -9.987 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.512 -6.139 -11.068 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.208 -4.660 -11.321 1.00 0.00 C ATOM 0 HA PRO A 67 -6.096 -4.462 -8.680 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.588 -7.015 -9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.589 -6.010 -10.415 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.626 -6.679 -10.733 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.865 -6.636 -11.972 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.156 -4.512 -11.563 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.785 -4.279 -12.164 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.703 -5.279 -6.796 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.881 -5.595 -5.641 1.00 0.00 C ATOM 1054 C ALA A 68 -4.572 -6.606 -4.739 1.00 0.00 C ATOM 1055 O ALA A 68 -5.730 -6.440 -4.360 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.557 -4.343 -4.836 1.00 0.00 C ATOM 0 H ALA A 68 -5.684 -5.115 -6.569 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.953 -6.026 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.941 -4.611 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.016 -3.636 -5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.483 -3.884 -4.488 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.821 -7.629 -4.348 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.251 -8.644 -3.408 1.00 0.00 C ATOM 1064 C PHE A 69 -3.804 -8.213 -2.029 1.00 0.00 C ATOM 1065 O PHE A 69 -2.782 -8.694 -1.541 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.684 -10.004 -3.792 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.344 -10.666 -4.983 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -4.000 -10.283 -6.294 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -5.285 -11.692 -4.778 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -4.592 -10.927 -7.393 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -5.878 -12.335 -5.878 1.00 0.00 C ATOM 1072 CZ PHE A 69 -5.533 -11.952 -7.186 1.00 0.00 C ATOM 0 H PHE A 69 -2.871 -7.775 -4.689 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.336 -8.748 -3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.621 -9.890 -4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.768 -10.670 -2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.281 -9.494 -6.454 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.552 -11.986 -3.774 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.325 -10.635 -8.398 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.599 -13.123 -5.719 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.990 -12.444 -8.031 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.595 -7.319 -1.430 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.603 -7.060 0.005 1.00 0.00 C ATOM 1084 C VAL A 70 -4.518 -8.395 0.748 1.00 0.00 C ATOM 1085 O VAL A 70 -5.469 -9.174 0.754 1.00 0.00 O ATOM 1086 CB VAL A 70 -5.809 -6.196 0.439 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -7.029 -6.352 -0.466 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -6.240 -6.457 1.888 1.00 0.00 C ATOM 0 H VAL A 70 -5.262 -6.744 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.730 -6.464 0.269 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.441 -5.174 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.836 -5.717 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.768 -6.059 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.355 -7.392 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.091 -5.821 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.524 -7.503 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.412 -6.232 2.560 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.360 -8.661 1.347 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.104 -9.747 2.247 1.00 0.00 C ATOM 1100 C LYS A 71 -3.123 -9.159 3.658 1.00 0.00 C ATOM 1101 O LYS A 71 -3.394 -7.980 3.880 1.00 0.00 O ATOM 1102 CB LYS A 71 -1.768 -10.407 1.852 1.00 0.00 C ATOM 1103 CG LYS A 71 -1.747 -11.932 2.054 1.00 0.00 C ATOM 1104 CD LYS A 71 -0.916 -12.586 0.937 1.00 0.00 C ATOM 1105 CE LYS A 71 -0.842 -14.116 1.052 1.00 0.00 C ATOM 1106 NZ LYS A 71 -2.165 -14.764 0.920 1.00 0.00 N ATOM 0 H LYS A 71 -2.535 -8.080 1.198 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.853 -10.538 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.559 -10.185 0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.965 -9.961 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.322 -12.175 3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.764 -12.325 2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.346 -12.321 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.094 -12.178 0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.175 -14.502 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.406 -14.383 2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.051 -15.797 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.781 -14.458 1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.595 -14.493 0.013 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.905 -10.042 4.615 1.00 0.00 N ATOM 1121 CA LYS A 72 -2.973 -9.759 6.040 1.00 0.00 C ATOM 1122 C LYS A 72 -1.616 -9.225 6.509 1.00 0.00 C ATOM 1123 O LYS A 72 -0.605 -9.407 5.833 1.00 0.00 O ATOM 1124 CB LYS A 72 -3.436 -11.033 6.779 1.00 0.00 C ATOM 1125 CG LYS A 72 -4.174 -10.781 8.107 1.00 0.00 C ATOM 1126 CD LYS A 72 -3.263 -10.961 9.332 1.00 0.00 C ATOM 1127 CE LYS A 72 -3.867 -10.376 10.618 1.00 0.00 C ATOM 1128 NZ LYS A 72 -5.064 -11.113 11.074 1.00 0.00 N ATOM 0 H LYS A 72 -2.667 -11.013 4.415 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.705 -8.983 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.091 -11.601 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.565 -11.657 6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.580 -9.770 8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.020 -11.464 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.067 -12.023 9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.303 -10.483 9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.115 -10.390 11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.131 -9.332 10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.430 -10.676 11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.795 -11.079 10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.810 -12.104 11.264 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.596 -8.573 7.672 1.00 0.00 N ATOM 1143 CA ILE A 73 -0.387 -7.988 8.232 1.00 0.00 C ATOM 1144 C ILE A 73 0.495 -9.089 8.816 1.00 0.00 C ATOM 1145 O ILE A 73 0.005 -9.950 9.545 1.00 0.00 O ATOM 1146 CB ILE A 73 -0.773 -6.966 9.316 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.479 -5.759 8.674 1.00 0.00 C ATOM 1148 CG2 ILE A 73 0.439 -6.493 10.134 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -2.818 -5.470 9.358 1.00 0.00 C ATOM 0 H ILE A 73 -2.424 -8.438 8.251 1.00 0.00 H new ATOM 0 HA ILE A 73 0.174 -7.477 7.450 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.452 -7.467 10.006 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.837 -4.881 8.741 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.644 -5.953 7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.113 -5.773 10.885 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.901 -7.348 10.627 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.164 -6.022 9.471 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.292 -4.612 8.882 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.468 -6.340 9.268 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.648 -5.252 10.412 1.00 0.00 H new ATOM 1161 N GLU A 74 1.793 -9.032 8.511 1.00 0.00 N ATOM 1162 CA GLU A 74 2.789 -9.958 9.024 1.00 0.00 C ATOM 1163 C GLU A 74 3.651 -9.215 10.049 1.00 0.00 C ATOM 1164 O GLU A 74 4.447 -8.353 9.684 1.00 0.00 O ATOM 1165 CB GLU A 74 3.599 -10.512 7.844 1.00 0.00 C ATOM 1166 CG GLU A 74 4.301 -11.829 8.198 1.00 0.00 C ATOM 1167 CD GLU A 74 5.094 -12.366 7.011 1.00 0.00 C ATOM 1168 OE1 GLU A 74 4.533 -12.339 5.893 1.00 0.00 O ATOM 1169 OE2 GLU A 74 6.247 -12.785 7.242 1.00 0.00 O ATOM 0 H GLU A 74 2.183 -8.325 7.888 1.00 0.00 H new ATOM 0 HA GLU A 74 2.335 -10.810 9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.937 -10.671 6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.342 -9.776 7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.969 -11.672 9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.561 -12.567 8.509 1.00 0.00 H new ATOM 1176 N GLY A 75 3.453 -9.516 11.335 1.00 0.00 N ATOM 1177 CA GLY A 75 4.140 -8.891 12.455 1.00 0.00 C ATOM 1178 C GLY A 75 3.279 -9.083 13.701 1.00 0.00 C ATOM 1179 O GLY A 75 2.106 -9.437 13.573 1.00 0.00 O ATOM 0 H GLY A 75 2.785 -10.228 11.629 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.123 -9.340 12.598 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.299 -7.830 12.261 1.00 0.00 H new ATOM 1183 N ARG A 76 3.840 -8.874 14.895 1.00 0.00 N ATOM 1184 CA ARG A 76 3.131 -8.937 16.158 1.00 0.00 C ATOM 1185 C ARG A 76 4.073 -8.383 17.229 1.00 0.00 C ATOM 1186 O ARG A 76 3.696 -8.442 18.422 1.00 0.00 O ATOM 1187 CB ARG A 76 2.727 -10.382 16.493 1.00 0.00 C ATOM 1188 CG ARG A 76 1.489 -10.363 17.395 1.00 0.00 C ATOM 1189 CD ARG A 76 1.361 -11.680 18.164 1.00 0.00 C ATOM 1190 NE ARG A 76 0.239 -11.636 19.111 1.00 0.00 N ATOM 1191 CZ ARG A 76 0.236 -10.953 20.269 1.00 0.00 C ATOM 1192 NH1 ARG A 76 1.302 -10.222 20.625 1.00 0.00 N ATOM 1193 NH2 ARG A 76 -0.840 -11.003 21.062 1.00 0.00 N ATOM 1194 OXT ARG A 76 5.170 -7.942 16.815 1.00 0.00 O ATOM 0 H ARG A 76 4.829 -8.650 15.003 1.00 0.00 H new ATOM 0 HA ARG A 76 2.212 -8.353 16.107 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.516 -10.935 15.578 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.548 -10.895 16.993 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.556 -9.531 18.096 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.596 -10.200 16.792 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.216 -12.501 17.462 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.287 -11.881 18.703 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.601 -12.163 18.872 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.120 -10.182 20.016 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.295 -9.705 21.504 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.651 -11.557 20.787 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.849 -10.487 21.942 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 5.135 0.700 -14.244 1.00 0.00 CU