USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -88:sc= 1.29 USER MOD Single : A 5 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.5!) USER MOD Single : A 6 LYS NZ :NH3+ -116:sc= 0.962 (180deg=-0.689!) USER MOD Single : A 10 MET CE :methyl -152:sc= 0 (180deg=-0.178) USER MOD Single : A 11 GLN : amide:sc= -0.0785 X(o=-0.078,f=-0.072) USER MOD Single : A 13 SER OG : rot 180:sc= -0.132 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.043 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -121:sc= 1.16 (180deg=0.406) USER MOD Single : A 31 MET CE :methyl 155:sc= -0.0162 (180deg=-0.963) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.072) USER MOD Single : A 40 ASN : amide:sc= -0.962 K(o=-0.96,f=-2.8) USER MOD Single : A 43 THR OG1 : rot -49:sc= 0.00114 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0782 USER MOD Single : A 47 ASN : amide:sc= 0.819 K(o=0.82,f=-0.0016) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -165:sc= -0.212 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 158:sc= 1.19 (180deg=0.952) USER MOD Single : A 69 TYR OH : rot -60:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.004) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.470 18.975 16.562 1.00 5.20 N ATOM 2 CA MET A 1 1.033 19.210 16.799 1.00 3.84 C ATOM 3 C MET A 1 0.296 19.202 15.459 1.00 2.66 C ATOM 4 O MET A 1 0.096 20.255 14.867 1.00 3.57 O ATOM 5 CB MET A 1 0.816 20.532 17.553 1.00 5.10 C ATOM 6 CG MET A 1 1.046 20.398 19.063 1.00 6.10 C ATOM 7 SD MET A 1 0.903 21.963 19.960 1.00 7.75 S ATOM 8 CE MET A 1 0.989 21.365 21.661 1.00 8.53 C ATOM 0 H1 MET A 1 2.977 18.979 17.470 1.00 5.20 H new ATOM 0 H2 MET A 1 2.599 18.053 16.098 1.00 5.20 H new ATOM 0 H3 MET A 1 2.848 19.726 15.951 1.00 5.20 H new ATOM 0 HA MET A 1 0.631 18.413 17.425 1.00 3.84 H new ATOM 0 HB2 MET A 1 1.491 21.289 17.153 1.00 5.10 H new ATOM 0 HB3 MET A 1 -0.200 20.885 17.374 1.00 5.10 H new ATOM 0 HG2 MET A 1 0.326 19.689 19.470 1.00 6.10 H new ATOM 0 HG3 MET A 1 2.038 19.980 19.235 1.00 6.10 H new ATOM 0 HE1 MET A 1 0.915 22.209 22.347 1.00 8.53 H new ATOM 0 HE2 MET A 1 0.167 20.674 21.846 1.00 8.53 H new ATOM 0 HE3 MET A 1 1.937 20.851 21.819 1.00 8.53 H new ATOM 20 N LEU A 2 -0.042 18.003 14.976 1.00 1.77 N ATOM 21 CA LEU A 2 -0.766 17.734 13.737 1.00 1.67 C ATOM 22 C LEU A 2 -0.753 16.212 13.576 1.00 1.44 C ATOM 23 O LEU A 2 -1.616 15.541 14.132 1.00 2.49 O ATOM 24 CB LEU A 2 -0.175 18.496 12.521 1.00 3.14 C ATOM 25 CG LEU A 2 -1.115 19.600 11.998 1.00 4.30 C ATOM 26 CD1 LEU A 2 -0.324 20.838 11.565 1.00 5.51 C ATOM 27 CD2 LEU A 2 -1.919 19.074 10.801 1.00 5.66 C ATOM 0 H LEU A 2 0.198 17.145 15.472 1.00 1.77 H new ATOM 0 HA LEU A 2 -1.790 18.103 13.783 1.00 1.67 H new ATOM 0 HB2 LEU A 2 0.779 18.941 12.805 1.00 3.14 H new ATOM 0 HB3 LEU A 2 0.030 17.788 11.718 1.00 3.14 H new ATOM 0 HG LEU A 2 -1.789 19.880 12.807 1.00 4.30 H new ATOM 0 HD11 LEU A 2 -1.012 21.600 11.201 1.00 5.51 H new ATOM 0 HD12 LEU A 2 0.234 21.229 12.416 1.00 5.51 H new ATOM 0 HD13 LEU A 2 0.370 20.566 10.770 1.00 5.51 H new ATOM 0 HD21 LEU A 2 -2.582 19.858 10.435 1.00 5.66 H new ATOM 0 HD22 LEU A 2 -1.235 18.777 10.006 1.00 5.66 H new ATOM 0 HD23 LEU A 2 -2.512 18.213 11.111 1.00 5.66 H new ATOM 39 N SER A 3 0.279 15.684 12.917 1.00 0.73 N ATOM 40 CA SER A 3 0.429 14.288 12.554 1.00 0.56 C ATOM 41 C SER A 3 1.920 14.053 12.345 1.00 0.60 C ATOM 42 O SER A 3 2.580 14.920 11.770 1.00 0.89 O ATOM 43 CB SER A 3 -0.305 14.049 11.229 1.00 0.67 C ATOM 44 OG SER A 3 -1.702 14.032 11.425 1.00 0.87 O ATOM 0 H SER A 3 1.068 16.253 12.610 1.00 0.73 H new ATOM 0 HA SER A 3 0.026 13.624 13.318 1.00 0.56 H new ATOM 0 HB2 SER A 3 -0.043 14.831 10.517 1.00 0.67 H new ATOM 0 HB3 SER A 3 0.017 13.102 10.795 1.00 0.67 H new ATOM 0 HG SER A 3 -1.990 13.122 11.649 1.00 0.87 H new ATOM 50 N GLU A 4 2.450 12.913 12.794 1.00 0.46 N ATOM 51 CA GLU A 4 3.718 12.416 12.295 1.00 0.42 C ATOM 52 C GLU A 4 3.495 11.791 10.916 1.00 0.41 C ATOM 53 O GLU A 4 2.374 11.754 10.415 1.00 0.63 O ATOM 54 CB GLU A 4 4.317 11.415 13.291 1.00 0.52 C ATOM 55 CG GLU A 4 5.307 12.069 14.239 1.00 0.77 C ATOM 56 CD GLU A 4 6.160 11.076 15.021 1.00 1.17 C ATOM 57 OE1 GLU A 4 6.542 10.043 14.426 1.00 2.36 O ATOM 58 OE2 GLU A 4 6.444 11.362 16.199 1.00 1.93 O ATOM 0 H GLU A 4 2.015 12.322 13.502 1.00 0.46 H new ATOM 0 HA GLU A 4 4.433 13.232 12.190 1.00 0.42 H new ATOM 0 HB2 GLU A 4 3.515 10.955 13.868 1.00 0.52 H new ATOM 0 HB3 GLU A 4 4.815 10.615 12.744 1.00 0.52 H new ATOM 0 HG2 GLU A 4 5.963 12.726 13.668 1.00 0.77 H new ATOM 0 HG3 GLU A 4 4.761 12.697 14.943 1.00 0.77 H new ATOM 65 N GLN A 5 4.572 11.288 10.313 1.00 0.35 N ATOM 66 CA GLN A 5 4.545 10.419 9.152 1.00 0.33 C ATOM 67 C GLN A 5 5.535 9.295 9.424 1.00 0.34 C ATOM 68 O GLN A 5 6.546 9.539 10.082 1.00 0.41 O ATOM 69 CB GLN A 5 5.009 11.184 7.914 1.00 0.39 C ATOM 70 CG GLN A 5 4.004 12.235 7.425 1.00 0.47 C ATOM 71 CD GLN A 5 3.293 11.760 6.165 1.00 0.65 C ATOM 72 OE1 GLN A 5 3.282 12.454 5.157 1.00 1.45 O ATOM 73 NE2 GLN A 5 2.745 10.547 6.193 1.00 0.42 N ATOM 0 H GLN A 5 5.519 11.486 10.637 1.00 0.35 H new ATOM 0 HA GLN A 5 3.537 10.044 8.977 1.00 0.33 H new ATOM 0 HB2 GLN A 5 5.956 11.676 8.136 1.00 0.39 H new ATOM 0 HB3 GLN A 5 5.199 10.474 7.109 1.00 0.39 H new ATOM 0 HG2 GLN A 5 3.272 12.436 8.207 1.00 0.47 H new ATOM 0 HG3 GLN A 5 4.521 13.173 7.224 1.00 0.47 H new ATOM 0 HE21 GLN A 5 2.772 9.995 7.050 1.00 0.42 H new ATOM 0 HE22 GLN A 5 2.298 10.170 5.357 1.00 0.42 H new ATOM 82 N LYS A 6 5.267 8.092 8.912 1.00 0.31 N ATOM 83 CA LYS A 6 6.248 7.018 8.835 1.00 0.33 C ATOM 84 C LYS A 6 6.098 6.271 7.514 1.00 0.30 C ATOM 85 O LYS A 6 5.028 6.277 6.898 1.00 0.29 O ATOM 86 CB LYS A 6 6.137 6.039 10.014 1.00 0.40 C ATOM 87 CG LYS A 6 6.495 6.655 11.371 1.00 0.93 C ATOM 88 CD LYS A 6 8.010 6.894 11.527 1.00 1.44 C ATOM 89 CE LYS A 6 8.313 8.032 12.515 1.00 2.50 C ATOM 90 NZ LYS A 6 7.643 7.858 13.815 1.00 3.55 N ATOM 0 H LYS A 6 4.353 7.838 8.537 1.00 0.31 H new ATOM 0 HA LYS A 6 7.236 7.474 8.889 1.00 0.33 H new ATOM 0 HB2 LYS A 6 5.118 5.654 10.059 1.00 0.40 H new ATOM 0 HB3 LYS A 6 6.792 5.187 9.829 1.00 0.40 H new ATOM 0 HG2 LYS A 6 5.967 7.601 11.488 1.00 0.93 H new ATOM 0 HG3 LYS A 6 6.150 5.997 12.168 1.00 0.93 H new ATOM 0 HD2 LYS A 6 8.488 5.977 11.872 1.00 1.44 H new ATOM 0 HD3 LYS A 6 8.442 7.133 10.555 1.00 1.44 H new ATOM 0 HE2 LYS A 6 9.390 8.092 12.672 1.00 2.50 H new ATOM 0 HE3 LYS A 6 8.002 8.980 12.076 1.00 2.50 H new ATOM 0 HZ1 LYS A 6 6.962 8.630 13.961 1.00 3.55 H new ATOM 0 HZ2 LYS A 6 7.141 6.947 13.828 1.00 3.55 H new ATOM 0 HZ3 LYS A 6 8.352 7.874 14.576 1.00 3.55 H new ATOM 104 N GLU A 7 7.203 5.639 7.118 1.00 0.34 N ATOM 105 CA GLU A 7 7.429 4.933 5.875 1.00 0.33 C ATOM 106 C GLU A 7 7.460 3.444 6.190 1.00 0.36 C ATOM 107 O GLU A 7 8.473 2.910 6.639 1.00 0.61 O ATOM 108 CB GLU A 7 8.756 5.369 5.220 1.00 0.40 C ATOM 109 CG GLU A 7 9.294 6.745 5.645 1.00 0.58 C ATOM 110 CD GLU A 7 10.119 6.672 6.932 1.00 0.85 C ATOM 111 OE1 GLU A 7 9.495 6.571 8.014 1.00 0.88 O ATOM 112 OE2 GLU A 7 11.361 6.693 6.807 1.00 1.91 O ATOM 0 H GLU A 7 8.028 5.611 7.717 1.00 0.34 H new ATOM 0 HA GLU A 7 6.631 5.162 5.169 1.00 0.33 H new ATOM 0 HB2 GLU A 7 9.514 4.619 5.445 1.00 0.40 H new ATOM 0 HB3 GLU A 7 8.621 5.371 4.138 1.00 0.40 H new ATOM 0 HG2 GLU A 7 9.909 7.156 4.844 1.00 0.58 H new ATOM 0 HG3 GLU A 7 8.459 7.431 5.789 1.00 0.58 H new ATOM 119 N ILE A 8 6.352 2.752 5.960 1.00 0.29 N ATOM 120 CA ILE A 8 6.298 1.331 6.183 1.00 0.35 C ATOM 121 C ILE A 8 6.880 0.655 4.939 1.00 0.25 C ATOM 122 O ILE A 8 6.927 1.284 3.882 1.00 0.24 O ATOM 123 CB ILE A 8 4.852 0.937 6.493 1.00 0.51 C ATOM 124 CG1 ILE A 8 3.968 1.996 7.159 1.00 1.22 C ATOM 125 CG2 ILE A 8 4.856 -0.333 7.326 1.00 0.77 C ATOM 126 CD1 ILE A 8 4.541 2.418 8.496 1.00 1.89 C ATOM 0 H ILE A 8 5.482 3.161 5.619 1.00 0.29 H new ATOM 0 HA ILE A 8 6.889 1.008 7.040 1.00 0.35 H new ATOM 0 HB ILE A 8 4.389 0.796 5.516 1.00 0.51 H new ATOM 0 HG12 ILE A 8 3.880 2.865 6.506 1.00 1.22 H new ATOM 0 HG13 ILE A 8 2.962 1.600 7.299 1.00 1.22 H new ATOM 0 HG21 ILE A 8 3.830 -0.623 7.553 1.00 0.77 H new ATOM 0 HG22 ILE A 8 5.344 -1.132 6.768 1.00 0.77 H new ATOM 0 HG23 ILE A 8 5.397 -0.157 8.256 1.00 0.77 H new ATOM 0 HD11 ILE A 8 3.895 3.170 8.948 1.00 1.89 H new ATOM 0 HD12 ILE A 8 4.605 1.552 9.154 1.00 1.89 H new ATOM 0 HD13 ILE A 8 5.537 2.836 8.349 1.00 1.89 H new ATOM 138 N ALA A 9 7.363 -0.587 5.056 1.00 0.26 N ATOM 139 CA ALA A 9 7.921 -1.366 3.956 1.00 0.25 C ATOM 140 C ALA A 9 7.361 -2.782 4.053 1.00 0.34 C ATOM 141 O ALA A 9 7.395 -3.359 5.140 1.00 0.45 O ATOM 142 CB ALA A 9 9.449 -1.394 4.059 1.00 0.29 C ATOM 0 H ALA A 9 7.375 -1.088 5.945 1.00 0.26 H new ATOM 0 HA ALA A 9 7.653 -0.920 2.998 1.00 0.25 H new ATOM 0 HB1 ALA A 9 9.859 -1.977 3.234 1.00 0.29 H new ATOM 0 HB2 ALA A 9 9.836 -0.376 4.011 1.00 0.29 H new ATOM 0 HB3 ALA A 9 9.742 -1.849 5.006 1.00 0.29 H new ATOM 148 N MET A 10 6.828 -3.325 2.955 1.00 0.35 N ATOM 149 CA MET A 10 6.187 -4.636 2.947 1.00 0.37 C ATOM 150 C MET A 10 6.211 -5.237 1.535 1.00 0.31 C ATOM 151 O MET A 10 6.687 -4.593 0.600 1.00 0.29 O ATOM 152 CB MET A 10 4.784 -4.534 3.578 1.00 0.51 C ATOM 153 CG MET A 10 3.885 -3.478 2.926 1.00 1.45 C ATOM 154 SD MET A 10 2.556 -2.842 3.976 1.00 1.56 S ATOM 155 CE MET A 10 1.925 -1.553 2.880 1.00 2.66 C ATOM 0 H MET A 10 6.831 -2.863 2.045 1.00 0.35 H new ATOM 0 HA MET A 10 6.745 -5.338 3.566 1.00 0.37 H new ATOM 0 HB2 MET A 10 4.294 -5.506 3.510 1.00 0.51 H new ATOM 0 HB3 MET A 10 4.889 -4.303 4.638 1.00 0.51 H new ATOM 0 HG2 MET A 10 4.507 -2.641 2.608 1.00 1.45 H new ATOM 0 HG3 MET A 10 3.442 -3.906 2.027 1.00 1.45 H new ATOM 0 HE1 MET A 10 1.480 -0.756 3.475 1.00 2.66 H new ATOM 0 HE2 MET A 10 2.744 -1.148 2.285 1.00 2.66 H new ATOM 0 HE3 MET A 10 1.170 -1.976 2.217 1.00 2.66 H new ATOM 165 N GLN A 11 5.737 -6.479 1.404 1.00 0.39 N ATOM 166 CA GLN A 11 5.689 -7.288 0.191 1.00 0.42 C ATOM 167 C GLN A 11 4.279 -7.279 -0.411 1.00 0.40 C ATOM 168 O GLN A 11 3.314 -6.949 0.274 1.00 0.40 O ATOM 169 CB GLN A 11 6.125 -8.724 0.540 1.00 0.47 C ATOM 170 CG GLN A 11 7.421 -9.178 -0.134 1.00 1.20 C ATOM 171 CD GLN A 11 7.107 -9.583 -1.567 1.00 2.00 C ATOM 172 OE1 GLN A 11 6.724 -10.714 -1.838 1.00 3.77 O ATOM 173 NE2 GLN A 11 7.200 -8.642 -2.497 1.00 1.47 N ATOM 0 H GLN A 11 5.349 -6.979 2.204 1.00 0.39 H new ATOM 0 HA GLN A 11 6.366 -6.871 -0.555 1.00 0.42 H new ATOM 0 HB2 GLN A 11 6.247 -8.800 1.620 1.00 0.47 H new ATOM 0 HB3 GLN A 11 5.326 -9.410 0.260 1.00 0.47 H new ATOM 0 HG2 GLN A 11 8.156 -8.373 -0.121 1.00 1.20 H new ATOM 0 HG3 GLN A 11 7.856 -10.017 0.409 1.00 1.20 H new ATOM 0 HE21 GLN A 11 7.522 -7.707 -2.246 1.00 1.47 H new ATOM 0 HE22 GLN A 11 6.950 -8.853 -3.463 1.00 1.47 H new ATOM 182 N VAL A 12 4.156 -7.656 -1.688 1.00 0.45 N ATOM 183 CA VAL A 12 2.902 -7.635 -2.439 1.00 0.48 C ATOM 184 C VAL A 12 2.563 -9.055 -2.898 1.00 0.49 C ATOM 185 O VAL A 12 3.464 -9.821 -3.231 1.00 0.61 O ATOM 186 CB VAL A 12 3.037 -6.674 -3.635 1.00 0.58 C ATOM 187 CG1 VAL A 12 1.720 -6.546 -4.411 1.00 1.35 C ATOM 188 CG2 VAL A 12 3.444 -5.280 -3.146 1.00 1.10 C ATOM 0 H VAL A 12 4.946 -7.992 -2.239 1.00 0.45 H new ATOM 0 HA VAL A 12 2.089 -7.278 -1.807 1.00 0.48 H new ATOM 0 HB VAL A 12 3.799 -7.087 -4.295 1.00 0.58 H new ATOM 0 HG11 VAL A 12 1.855 -5.860 -5.247 1.00 1.35 H new ATOM 0 HG12 VAL A 12 1.424 -7.525 -4.789 1.00 1.35 H new ATOM 0 HG13 VAL A 12 0.943 -6.163 -3.749 1.00 1.35 H new ATOM 0 HG21 VAL A 12 3.537 -4.608 -3.999 1.00 1.10 H new ATOM 0 HG22 VAL A 12 2.685 -4.898 -2.464 1.00 1.10 H new ATOM 0 HG23 VAL A 12 4.400 -5.341 -2.627 1.00 1.10 H new ATOM 198 N SER A 13 1.273 -9.401 -2.931 1.00 0.48 N ATOM 199 CA SER A 13 0.763 -10.655 -3.468 1.00 0.58 C ATOM 200 C SER A 13 -0.470 -10.368 -4.330 1.00 0.62 C ATOM 201 O SER A 13 -0.919 -9.228 -4.430 1.00 0.65 O ATOM 202 CB SER A 13 0.462 -11.621 -2.317 1.00 0.71 C ATOM 203 OG SER A 13 -0.095 -12.835 -2.792 1.00 2.41 O ATOM 0 H SER A 13 0.536 -8.794 -2.572 1.00 0.48 H new ATOM 0 HA SER A 13 1.508 -11.133 -4.105 1.00 0.58 H new ATOM 0 HB2 SER A 13 1.379 -11.831 -1.767 1.00 0.71 H new ATOM 0 HB3 SER A 13 -0.229 -11.151 -1.617 1.00 0.71 H new ATOM 0 HG SER A 13 -0.274 -13.431 -2.035 1.00 2.41 H new ATOM 209 N GLY A 14 -0.994 -11.419 -4.965 1.00 0.80 N ATOM 210 CA GLY A 14 -2.109 -11.351 -5.897 1.00 0.85 C ATOM 211 C GLY A 14 -1.865 -10.297 -6.977 1.00 0.93 C ATOM 212 O GLY A 14 -2.655 -9.366 -7.118 1.00 1.68 O ATOM 0 H GLY A 14 -0.639 -12.367 -4.837 1.00 0.80 H new ATOM 0 HA2 GLY A 14 -2.256 -12.325 -6.363 1.00 0.85 H new ATOM 0 HA3 GLY A 14 -3.025 -11.115 -5.355 1.00 0.85 H new ATOM 216 N MET A 15 -0.767 -10.440 -7.730 1.00 0.85 N ATOM 217 CA MET A 15 -0.315 -9.446 -8.695 1.00 0.84 C ATOM 218 C MET A 15 0.075 -10.109 -10.016 1.00 0.87 C ATOM 219 O MET A 15 0.509 -11.260 -10.022 1.00 0.99 O ATOM 220 CB MET A 15 0.838 -8.635 -8.077 1.00 0.86 C ATOM 221 CG MET A 15 2.202 -9.338 -8.070 1.00 0.80 C ATOM 222 SD MET A 15 3.192 -9.065 -9.566 1.00 1.37 S ATOM 223 CE MET A 15 4.677 -10.005 -9.152 1.00 1.69 C ATOM 0 H MET A 15 -0.164 -11.262 -7.681 1.00 0.85 H new ATOM 0 HA MET A 15 -1.127 -8.757 -8.928 1.00 0.84 H new ATOM 0 HB2 MET A 15 0.934 -7.696 -8.623 1.00 0.86 H new ATOM 0 HB3 MET A 15 0.573 -8.381 -7.051 1.00 0.86 H new ATOM 0 HG2 MET A 15 2.770 -8.995 -7.205 1.00 0.80 H new ATOM 0 HG3 MET A 15 2.045 -10.409 -7.943 1.00 0.80 H new ATOM 0 HE1 MET A 15 5.390 -9.939 -9.973 1.00 1.69 H new ATOM 0 HE2 MET A 15 5.126 -9.596 -8.247 1.00 1.69 H new ATOM 0 HE3 MET A 15 4.412 -11.049 -8.985 1.00 1.69 H new ATOM 233 N THR A 16 -0.079 -9.371 -11.118 1.00 0.92 N ATOM 234 CA THR A 16 0.432 -9.716 -12.440 1.00 1.02 C ATOM 235 C THR A 16 1.730 -8.969 -12.743 1.00 0.99 C ATOM 236 O THR A 16 2.729 -9.608 -13.068 1.00 1.40 O ATOM 237 CB THR A 16 -0.633 -9.443 -13.515 1.00 1.62 C ATOM 238 OG1 THR A 16 -1.537 -8.464 -13.039 1.00 1.87 O ATOM 239 CG2 THR A 16 -1.425 -10.711 -13.843 1.00 2.39 C ATOM 0 H THR A 16 -0.583 -8.484 -11.110 1.00 0.92 H new ATOM 0 HA THR A 16 0.660 -10.782 -12.450 1.00 1.02 H new ATOM 0 HB THR A 16 -0.125 -9.099 -14.416 1.00 1.62 H new ATOM 0 HG1 THR A 16 -2.216 -8.286 -13.723 1.00 1.87 H new ATOM 0 HG21 THR A 16 -2.171 -10.487 -14.606 1.00 2.39 H new ATOM 0 HG22 THR A 16 -0.746 -11.479 -14.214 1.00 2.39 H new ATOM 0 HG23 THR A 16 -1.924 -11.071 -12.943 1.00 2.39 H new ATOM 247 N CYS A 17 1.715 -7.632 -12.692 1.00 1.14 N ATOM 248 CA CYS A 17 2.827 -6.827 -13.174 1.00 1.76 C ATOM 249 C CYS A 17 3.040 -5.578 -12.320 1.00 1.66 C ATOM 250 O CYS A 17 2.174 -5.166 -11.542 1.00 2.35 O ATOM 251 CB CYS A 17 2.594 -6.481 -14.651 1.00 2.18 C ATOM 252 SG CYS A 17 1.213 -5.318 -14.849 1.00 2.20 S ATOM 0 H CYS A 17 0.937 -7.089 -12.318 1.00 1.14 H new ATOM 0 HA CYS A 17 3.746 -7.406 -13.089 1.00 1.76 H new ATOM 0 HB2 CYS A 17 3.501 -6.047 -15.072 1.00 2.18 H new ATOM 0 HB3 CYS A 17 2.387 -7.393 -15.212 1.00 2.18 H new ATOM 257 N ALA A 18 4.209 -4.956 -12.505 1.00 1.57 N ATOM 258 CA ALA A 18 4.627 -3.737 -11.829 1.00 1.50 C ATOM 259 C ALA A 18 3.910 -2.516 -12.418 1.00 1.27 C ATOM 260 O ALA A 18 4.551 -1.548 -12.824 1.00 2.00 O ATOM 261 CB ALA A 18 6.151 -3.611 -11.948 1.00 1.96 C ATOM 0 H ALA A 18 4.912 -5.306 -13.156 1.00 1.57 H new ATOM 0 HA ALA A 18 4.355 -3.783 -10.774 1.00 1.50 H new ATOM 0 HB1 ALA A 18 6.481 -2.702 -11.446 1.00 1.96 H new ATOM 0 HB2 ALA A 18 6.625 -4.475 -11.482 1.00 1.96 H new ATOM 0 HB3 ALA A 18 6.431 -3.567 -13.000 1.00 1.96 H new ATOM 267 N ALA A 19 2.578 -2.560 -12.455 1.00 0.86 N ATOM 268 CA ALA A 19 1.733 -1.475 -12.931 1.00 0.64 C ATOM 269 C ALA A 19 0.429 -1.490 -12.144 1.00 0.49 C ATOM 270 O ALA A 19 0.116 -0.521 -11.456 1.00 0.48 O ATOM 271 CB ALA A 19 1.496 -1.594 -14.439 1.00 0.80 C ATOM 0 H ALA A 19 2.047 -3.374 -12.146 1.00 0.86 H new ATOM 0 HA ALA A 19 2.228 -0.517 -12.769 1.00 0.64 H new ATOM 0 HB1 ALA A 19 0.862 -0.773 -14.774 1.00 0.80 H new ATOM 0 HB2 ALA A 19 2.451 -1.551 -14.962 1.00 0.80 H new ATOM 0 HB3 ALA A 19 1.006 -2.543 -14.656 1.00 0.80 H new ATOM 277 N CYS A 20 -0.314 -2.599 -12.184 1.00 0.52 N ATOM 278 CA CYS A 20 -1.543 -2.724 -11.407 1.00 0.52 C ATOM 279 C CYS A 20 -1.252 -2.506 -9.921 1.00 0.41 C ATOM 280 O CYS A 20 -1.976 -1.789 -9.232 1.00 0.45 O ATOM 281 CB CYS A 20 -2.199 -4.091 -11.641 1.00 0.66 C ATOM 282 SG CYS A 20 -2.334 -4.464 -13.411 1.00 1.44 S ATOM 0 H CYS A 20 -0.084 -3.419 -12.745 1.00 0.52 H new ATOM 0 HA CYS A 20 -2.243 -1.957 -11.738 1.00 0.52 H new ATOM 0 HB2 CYS A 20 -1.614 -4.867 -11.147 1.00 0.66 H new ATOM 0 HB3 CYS A 20 -3.190 -4.103 -11.188 1.00 0.66 H new ATOM 287 N ALA A 21 -0.132 -3.062 -9.453 1.00 0.39 N ATOM 288 CA ALA A 21 0.360 -2.873 -8.097 1.00 0.45 C ATOM 289 C ALA A 21 0.515 -1.391 -7.714 1.00 0.45 C ATOM 290 O ALA A 21 0.553 -1.065 -6.534 1.00 0.54 O ATOM 291 CB ALA A 21 1.681 -3.629 -7.939 1.00 0.55 C ATOM 0 H ALA A 21 0.464 -3.665 -10.019 1.00 0.39 H new ATOM 0 HA ALA A 21 -0.383 -3.276 -7.409 1.00 0.45 H new ATOM 0 HB1 ALA A 21 2.059 -3.494 -6.925 1.00 0.55 H new ATOM 0 HB2 ALA A 21 1.518 -4.690 -8.127 1.00 0.55 H new ATOM 0 HB3 ALA A 21 2.409 -3.242 -8.652 1.00 0.55 H new ATOM 297 N ALA A 22 0.621 -0.473 -8.678 1.00 0.41 N ATOM 298 CA ALA A 22 0.567 0.951 -8.394 1.00 0.46 C ATOM 299 C ALA A 22 -0.849 1.377 -8.036 1.00 0.43 C ATOM 300 O ALA A 22 -1.047 2.122 -7.079 1.00 0.44 O ATOM 301 CB ALA A 22 1.083 1.749 -9.593 1.00 0.48 C ATOM 0 H ALA A 22 0.745 -0.699 -9.665 1.00 0.41 H new ATOM 0 HA ALA A 22 1.208 1.157 -7.537 1.00 0.46 H new ATOM 0 HB1 ALA A 22 1.037 2.814 -9.368 1.00 0.48 H new ATOM 0 HB2 ALA A 22 2.115 1.466 -9.802 1.00 0.48 H new ATOM 0 HB3 ALA A 22 0.465 1.536 -10.465 1.00 0.48 H new ATOM 307 N ARG A 23 -1.834 0.951 -8.833 1.00 0.41 N ATOM 308 CA ARG A 23 -3.207 1.416 -8.707 1.00 0.34 C ATOM 309 C ARG A 23 -3.686 1.224 -7.276 1.00 0.32 C ATOM 310 O ARG A 23 -4.285 2.135 -6.702 1.00 0.29 O ATOM 311 CB ARG A 23 -4.129 0.670 -9.680 1.00 0.40 C ATOM 312 CG ARG A 23 -3.845 1.005 -11.152 1.00 0.67 C ATOM 313 CD ARG A 23 -4.285 2.427 -11.540 1.00 1.62 C ATOM 314 NE ARG A 23 -5.708 2.675 -11.239 1.00 2.56 N ATOM 315 CZ ARG A 23 -6.750 2.232 -11.965 1.00 3.12 C ATOM 316 NH1 ARG A 23 -6.534 1.512 -13.071 1.00 3.38 N ATOM 317 NH2 ARG A 23 -8.000 2.508 -11.578 1.00 4.37 N ATOM 0 H ARG A 23 -1.695 0.273 -9.583 1.00 0.41 H new ATOM 0 HA ARG A 23 -3.239 2.476 -8.957 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -4.015 -0.403 -9.529 1.00 0.40 H new ATOM 0 HB3 ARG A 23 -5.166 0.916 -9.451 1.00 0.40 H new ATOM 0 HG2 ARG A 23 -2.778 0.896 -11.345 1.00 0.67 H new ATOM 0 HG3 ARG A 23 -4.359 0.285 -11.789 1.00 0.67 H new ATOM 0 HD2 ARG A 23 -3.671 3.153 -11.007 1.00 1.62 H new ATOM 0 HD3 ARG A 23 -4.109 2.582 -12.605 1.00 1.62 H new ATOM 0 HE ARG A 23 -5.920 3.230 -10.410 1.00 2.56 H new ATOM 0 HH11 ARG A 23 -5.580 1.299 -13.363 1.00 3.38 H new ATOM 0 HH12 ARG A 23 -7.323 1.175 -13.623 1.00 3.38 H new ATOM 0 HH21 ARG A 23 -8.163 3.054 -10.732 1.00 4.37 H new ATOM 0 HH22 ARG A 23 -8.790 2.172 -12.129 1.00 4.37 H new ATOM 331 N ILE A 24 -3.395 0.055 -6.705 1.00 0.37 N ATOM 332 CA ILE A 24 -3.773 -0.218 -5.333 1.00 0.40 C ATOM 333 C ILE A 24 -3.167 0.823 -4.394 1.00 0.39 C ATOM 334 O ILE A 24 -3.915 1.486 -3.693 1.00 0.40 O ATOM 335 CB ILE A 24 -3.536 -1.678 -4.933 1.00 0.46 C ATOM 336 CG1 ILE A 24 -2.053 -1.935 -4.705 1.00 0.48 C ATOM 337 CG2 ILE A 24 -4.143 -2.595 -5.998 1.00 0.53 C ATOM 338 CD1 ILE A 24 -1.636 -3.396 -4.620 1.00 0.55 C ATOM 0 H ILE A 24 -2.903 -0.707 -7.172 1.00 0.37 H new ATOM 0 HA ILE A 24 -4.853 -0.108 -5.239 1.00 0.40 H new ATOM 0 HB ILE A 24 -4.032 -1.895 -3.987 1.00 0.46 H new ATOM 0 HG12 ILE A 24 -1.494 -1.464 -5.514 1.00 0.48 H new ATOM 0 HG13 ILE A 24 -1.756 -1.438 -3.781 1.00 0.48 H new ATOM 0 HG21 ILE A 24 -3.978 -3.636 -5.719 1.00 0.53 H new ATOM 0 HG22 ILE A 24 -5.214 -2.405 -6.074 1.00 0.53 H new ATOM 0 HG23 ILE A 24 -3.670 -2.398 -6.960 1.00 0.53 H new ATOM 0 HD11 ILE A 24 -0.560 -3.458 -4.456 1.00 0.55 H new ATOM 0 HD12 ILE A 24 -2.157 -3.876 -3.792 1.00 0.55 H new ATOM 0 HD13 ILE A 24 -1.891 -3.902 -5.551 1.00 0.55 H new ATOM 350 N GLU A 25 -1.850 1.034 -4.430 1.00 0.40 N ATOM 351 CA GLU A 25 -1.162 2.007 -3.592 1.00 0.42 C ATOM 352 C GLU A 25 -1.717 3.423 -3.777 1.00 0.36 C ATOM 353 O GLU A 25 -1.871 4.170 -2.812 1.00 0.36 O ATOM 354 CB GLU A 25 0.356 1.944 -3.836 1.00 0.51 C ATOM 355 CG GLU A 25 1.082 1.468 -2.570 1.00 0.57 C ATOM 356 CD GLU A 25 0.591 0.113 -2.078 1.00 1.22 C ATOM 357 OE1 GLU A 25 0.377 -0.757 -2.945 1.00 2.38 O ATOM 358 OE2 GLU A 25 0.450 -0.023 -0.844 1.00 2.30 O ATOM 0 H GLU A 25 -1.225 0.523 -5.054 1.00 0.40 H new ATOM 0 HA GLU A 25 -1.347 1.744 -2.550 1.00 0.42 H new ATOM 0 HB2 GLU A 25 0.570 1.266 -4.662 1.00 0.51 H new ATOM 0 HB3 GLU A 25 0.725 2.928 -4.127 1.00 0.51 H new ATOM 0 HG2 GLU A 25 2.152 1.410 -2.771 1.00 0.57 H new ATOM 0 HG3 GLU A 25 0.946 2.207 -1.780 1.00 0.57 H new ATOM 365 N LYS A 26 -2.021 3.815 -5.015 1.00 0.34 N ATOM 366 CA LYS A 26 -2.525 5.157 -5.279 1.00 0.35 C ATOM 367 C LYS A 26 -3.954 5.311 -4.742 1.00 0.34 C ATOM 368 O LYS A 26 -4.268 6.312 -4.102 1.00 0.44 O ATOM 369 CB LYS A 26 -2.397 5.527 -6.765 1.00 0.37 C ATOM 370 CG LYS A 26 -0.971 5.426 -7.346 1.00 0.72 C ATOM 371 CD LYS A 26 0.106 6.203 -6.569 1.00 0.99 C ATOM 372 CE LYS A 26 1.525 5.926 -7.097 1.00 0.76 C ATOM 373 NZ LYS A 26 1.749 6.434 -8.467 1.00 1.92 N ATOM 0 H LYS A 26 -1.927 3.226 -5.842 1.00 0.34 H new ATOM 0 HA LYS A 26 -1.904 5.873 -4.740 1.00 0.35 H new ATOM 0 HB2 LYS A 26 -3.054 4.877 -7.343 1.00 0.37 H new ATOM 0 HB3 LYS A 26 -2.756 6.547 -6.901 1.00 0.37 H new ATOM 0 HG2 LYS A 26 -0.684 4.375 -7.383 1.00 0.72 H new ATOM 0 HG3 LYS A 26 -0.988 5.788 -8.374 1.00 0.72 H new ATOM 0 HD2 LYS A 26 -0.101 7.271 -6.635 1.00 0.99 H new ATOM 0 HD3 LYS A 26 0.055 5.933 -5.514 1.00 0.99 H new ATOM 0 HE2 LYS A 26 2.251 6.383 -6.424 1.00 0.76 H new ATOM 0 HE3 LYS A 26 1.708 4.852 -7.081 1.00 0.76 H new ATOM 0 HZ1 LYS A 26 2.722 6.216 -8.763 1.00 1.92 H new ATOM 0 HZ2 LYS A 26 1.078 5.980 -9.120 1.00 1.92 H new ATOM 0 HZ3 LYS A 26 1.605 7.464 -8.483 1.00 1.92 H new ATOM 387 N GLY A 27 -4.821 4.320 -4.965 1.00 0.32 N ATOM 388 CA GLY A 27 -6.160 4.313 -4.383 1.00 0.35 C ATOM 389 C GLY A 27 -6.092 4.239 -2.856 1.00 0.39 C ATOM 390 O GLY A 27 -6.851 4.889 -2.143 1.00 0.51 O ATOM 0 H GLY A 27 -4.615 3.509 -5.548 1.00 0.32 H new ATOM 0 HA2 GLY A 27 -6.696 5.213 -4.684 1.00 0.35 H new ATOM 0 HA3 GLY A 27 -6.723 3.463 -4.767 1.00 0.35 H new ATOM 394 N LEU A 28 -5.149 3.455 -2.349 1.00 0.41 N ATOM 395 CA LEU A 28 -4.862 3.288 -0.934 1.00 0.46 C ATOM 396 C LEU A 28 -4.463 4.632 -0.333 1.00 0.50 C ATOM 397 O LEU A 28 -4.948 4.990 0.737 1.00 0.62 O ATOM 398 CB LEU A 28 -3.838 2.171 -0.819 1.00 0.52 C ATOM 399 CG LEU A 28 -3.257 1.912 0.564 1.00 0.44 C ATOM 400 CD1 LEU A 28 -2.660 0.507 0.497 1.00 1.85 C ATOM 401 CD2 LEU A 28 -2.191 2.960 0.888 1.00 1.83 C ATOM 0 H LEU A 28 -4.537 2.894 -2.942 1.00 0.41 H new ATOM 0 HA LEU A 28 -5.726 2.982 -0.344 1.00 0.46 H new ATOM 0 HB2 LEU A 28 -4.300 1.249 -1.171 1.00 0.52 H new ATOM 0 HB3 LEU A 28 -3.014 2.394 -1.497 1.00 0.52 H new ATOM 0 HG LEU A 28 -4.008 1.980 1.351 1.00 0.44 H new ATOM 0 HD11 LEU A 28 -2.222 0.252 1.462 1.00 1.85 H new ATOM 0 HD12 LEU A 28 -3.444 -0.210 0.253 1.00 1.85 H new ATOM 0 HD13 LEU A 28 -1.888 0.476 -0.272 1.00 1.85 H new ATOM 0 HD21 LEU A 28 -1.781 2.767 1.879 1.00 1.83 H new ATOM 0 HD22 LEU A 28 -1.392 2.907 0.148 1.00 1.83 H new ATOM 0 HD23 LEU A 28 -2.639 3.953 0.868 1.00 1.83 H new ATOM 413 N LYS A 29 -3.652 5.421 -1.045 1.00 0.46 N ATOM 414 CA LYS A 29 -3.315 6.776 -0.629 1.00 0.52 C ATOM 415 C LYS A 29 -4.559 7.642 -0.374 1.00 0.57 C ATOM 416 O LYS A 29 -4.484 8.618 0.363 1.00 0.68 O ATOM 417 CB LYS A 29 -2.379 7.439 -1.649 1.00 0.53 C ATOM 418 CG LYS A 29 -1.627 8.617 -1.012 1.00 0.74 C ATOM 419 CD LYS A 29 -1.435 9.779 -1.992 1.00 0.81 C ATOM 420 CE LYS A 29 -0.528 9.414 -3.174 1.00 1.85 C ATOM 421 NZ LYS A 29 0.140 10.610 -3.726 1.00 2.79 N ATOM 0 H LYS A 29 -3.215 5.135 -1.921 1.00 0.46 H new ATOM 0 HA LYS A 29 -2.791 6.697 0.324 1.00 0.52 H new ATOM 0 HB2 LYS A 29 -1.665 6.706 -2.025 1.00 0.53 H new ATOM 0 HB3 LYS A 29 -2.956 7.790 -2.505 1.00 0.53 H new ATOM 0 HG2 LYS A 29 -2.177 8.968 -0.139 1.00 0.74 H new ATOM 0 HG3 LYS A 29 -0.653 8.276 -0.660 1.00 0.74 H new ATOM 0 HD2 LYS A 29 -2.408 10.095 -2.370 1.00 0.81 H new ATOM 0 HD3 LYS A 29 -1.008 10.630 -1.461 1.00 0.81 H new ATOM 0 HE2 LYS A 29 0.222 8.692 -2.850 1.00 1.85 H new ATOM 0 HE3 LYS A 29 -1.118 8.932 -3.953 1.00 1.85 H new ATOM 0 HZ1 LYS A 29 -0.114 10.718 -4.729 1.00 2.79 H new ATOM 0 HZ2 LYS A 29 -0.165 11.453 -3.199 1.00 2.79 H new ATOM 0 HZ3 LYS A 29 1.171 10.503 -3.640 1.00 2.79 H new ATOM 435 N ARG A 30 -5.708 7.309 -0.970 1.00 0.60 N ATOM 436 CA ARG A 30 -6.941 8.049 -0.739 1.00 0.71 C ATOM 437 C ARG A 30 -7.544 7.757 0.650 1.00 0.77 C ATOM 438 O ARG A 30 -8.560 8.354 1.001 1.00 0.91 O ATOM 439 CB ARG A 30 -7.917 7.788 -1.907 1.00 0.74 C ATOM 440 CG ARG A 30 -8.252 9.055 -2.700 1.00 1.02 C ATOM 441 CD ARG A 30 -9.346 9.890 -2.016 1.00 2.16 C ATOM 442 NE ARG A 30 -9.150 11.337 -2.197 1.00 2.92 N ATOM 443 CZ ARG A 30 -9.176 12.004 -3.362 1.00 2.79 C ATOM 444 NH1 ARG A 30 -9.417 11.349 -4.502 1.00 2.89 N ATOM 445 NH2 ARG A 30 -8.956 13.324 -3.380 1.00 3.66 N ATOM 0 H ARG A 30 -5.804 6.527 -1.618 1.00 0.60 H new ATOM 0 HA ARG A 30 -6.724 9.117 -0.721 1.00 0.71 H new ATOM 0 HB2 ARG A 30 -7.481 7.049 -2.580 1.00 0.74 H new ATOM 0 HB3 ARG A 30 -8.838 7.357 -1.514 1.00 0.74 H new ATOM 0 HG2 ARG A 30 -7.352 9.660 -2.814 1.00 1.02 H new ATOM 0 HG3 ARG A 30 -8.580 8.779 -3.702 1.00 1.02 H new ATOM 0 HD2 ARG A 30 -10.319 9.606 -2.417 1.00 2.16 H new ATOM 0 HD3 ARG A 30 -9.361 9.660 -0.951 1.00 2.16 H new ATOM 0 HE ARG A 30 -8.978 11.887 -1.355 1.00 2.92 H new ATOM 0 HH11 ARG A 30 -9.581 10.342 -4.487 1.00 2.89 H new ATOM 0 HH12 ARG A 30 -9.437 11.856 -5.387 1.00 2.89 H new ATOM 0 HH21 ARG A 30 -8.769 13.822 -2.510 1.00 3.66 H new ATOM 0 HH22 ARG A 30 -8.975 13.832 -4.264 1.00 3.66 H new ATOM 459 N MET A 31 -6.949 6.863 1.451 1.00 0.73 N ATOM 460 CA MET A 31 -7.366 6.637 2.830 1.00 0.81 C ATOM 461 C MET A 31 -7.023 7.830 3.728 1.00 0.61 C ATOM 462 O MET A 31 -6.031 8.519 3.486 1.00 0.49 O ATOM 463 CB MET A 31 -6.673 5.392 3.393 1.00 0.99 C ATOM 464 CG MET A 31 -7.224 4.086 2.827 1.00 1.65 C ATOM 465 SD MET A 31 -8.652 3.367 3.693 1.00 2.94 S ATOM 466 CE MET A 31 -10.067 4.184 2.929 1.00 3.28 C ATOM 0 H MET A 31 -6.166 6.279 1.156 1.00 0.73 H new ATOM 0 HA MET A 31 -8.447 6.501 2.821 1.00 0.81 H new ATOM 0 HB2 MET A 31 -5.606 5.451 3.179 1.00 0.99 H new ATOM 0 HB3 MET A 31 -6.781 5.384 4.478 1.00 0.99 H new ATOM 0 HG2 MET A 31 -7.505 4.256 1.788 1.00 1.65 H new ATOM 0 HG3 MET A 31 -6.421 3.349 2.823 1.00 1.65 H new ATOM 0 HE1 MET A 31 -10.950 3.552 3.029 1.00 3.28 H new ATOM 0 HE2 MET A 31 -10.246 5.139 3.423 1.00 3.28 H new ATOM 0 HE3 MET A 31 -9.861 4.355 1.872 1.00 3.28 H new ATOM 476 N PRO A 32 -7.795 8.046 4.805 1.00 0.67 N ATOM 477 CA PRO A 32 -7.443 9.022 5.821 1.00 0.56 C ATOM 478 C PRO A 32 -6.069 8.676 6.408 1.00 0.58 C ATOM 479 O PRO A 32 -5.731 7.504 6.570 1.00 0.80 O ATOM 480 CB PRO A 32 -8.567 8.955 6.863 1.00 0.74 C ATOM 481 CG PRO A 32 -9.115 7.537 6.715 1.00 0.94 C ATOM 482 CD PRO A 32 -8.947 7.259 5.223 1.00 0.91 C ATOM 0 HA PRO A 32 -7.358 10.036 5.431 1.00 0.56 H new ATOM 0 HB2 PRO A 32 -8.191 9.136 7.870 1.00 0.74 H new ATOM 0 HB3 PRO A 32 -9.336 9.703 6.671 1.00 0.74 H new ATOM 0 HG2 PRO A 32 -8.559 6.824 7.324 1.00 0.94 H new ATOM 0 HG3 PRO A 32 -10.159 7.473 7.023 1.00 0.94 H new ATOM 0 HD2 PRO A 32 -8.784 6.197 5.038 1.00 0.91 H new ATOM 0 HD3 PRO A 32 -9.840 7.546 4.668 1.00 0.91 H new ATOM 490 N GLY A 33 -5.252 9.696 6.681 1.00 0.55 N ATOM 491 CA GLY A 33 -3.934 9.517 7.274 1.00 0.68 C ATOM 492 C GLY A 33 -2.833 9.242 6.257 1.00 0.59 C ATOM 493 O GLY A 33 -1.668 9.526 6.535 1.00 0.75 O ATOM 0 H GLY A 33 -5.491 10.670 6.495 1.00 0.55 H new ATOM 0 HA2 GLY A 33 -3.677 10.412 7.841 1.00 0.68 H new ATOM 0 HA3 GLY A 33 -3.975 8.691 7.984 1.00 0.68 H new ATOM 497 N VAL A 34 -3.157 8.655 5.101 1.00 0.45 N ATOM 498 CA VAL A 34 -2.136 8.358 4.110 1.00 0.33 C ATOM 499 C VAL A 34 -1.867 9.616 3.294 1.00 0.34 C ATOM 500 O VAL A 34 -2.796 10.220 2.764 1.00 0.52 O ATOM 501 CB VAL A 34 -2.516 7.156 3.237 1.00 0.34 C ATOM 502 CG1 VAL A 34 -1.282 6.743 2.418 1.00 0.28 C ATOM 503 CG2 VAL A 34 -2.976 5.973 4.098 1.00 0.48 C ATOM 0 H VAL A 34 -4.104 8.382 4.837 1.00 0.45 H new ATOM 0 HA VAL A 34 -1.215 8.065 4.614 1.00 0.33 H new ATOM 0 HB VAL A 34 -3.340 7.437 2.581 1.00 0.34 H new ATOM 0 HG11 VAL A 34 -1.532 5.888 1.789 1.00 0.28 H new ATOM 0 HG12 VAL A 34 -0.967 7.576 1.789 1.00 0.28 H new ATOM 0 HG13 VAL A 34 -0.471 6.472 3.094 1.00 0.28 H new ATOM 0 HG21 VAL A 34 -3.239 5.134 3.453 1.00 0.48 H new ATOM 0 HG22 VAL A 34 -2.170 5.676 4.769 1.00 0.48 H new ATOM 0 HG23 VAL A 34 -3.846 6.267 4.685 1.00 0.48 H new ATOM 513 N THR A 35 -0.596 10.015 3.204 1.00 0.30 N ATOM 514 CA THR A 35 -0.202 11.246 2.538 1.00 0.33 C ATOM 515 C THR A 35 0.551 10.948 1.245 1.00 0.36 C ATOM 516 O THR A 35 0.322 11.643 0.257 1.00 0.53 O ATOM 517 CB THR A 35 0.533 12.150 3.528 1.00 0.40 C ATOM 518 OG1 THR A 35 -0.414 12.825 4.334 1.00 0.86 O ATOM 519 CG2 THR A 35 1.443 13.181 2.866 1.00 0.74 C ATOM 0 H THR A 35 0.186 9.488 3.594 1.00 0.30 H new ATOM 0 HA THR A 35 -1.079 11.808 2.216 1.00 0.33 H new ATOM 0 HB THR A 35 1.175 11.499 4.121 1.00 0.40 H new ATOM 0 HG1 THR A 35 0.053 13.405 4.972 1.00 0.86 H new ATOM 0 HG21 THR A 35 1.929 13.784 3.633 1.00 0.74 H new ATOM 0 HG22 THR A 35 2.201 12.670 2.273 1.00 0.74 H new ATOM 0 HG23 THR A 35 0.850 13.827 2.219 1.00 0.74 H new ATOM 527 N ASP A 36 1.390 9.906 1.202 1.00 0.29 N ATOM 528 CA ASP A 36 1.969 9.456 -0.053 1.00 0.32 C ATOM 529 C ASP A 36 2.198 7.953 -0.012 1.00 0.27 C ATOM 530 O ASP A 36 2.068 7.320 1.034 1.00 0.23 O ATOM 531 CB ASP A 36 3.238 10.247 -0.418 1.00 0.45 C ATOM 532 CG ASP A 36 2.986 11.182 -1.592 1.00 0.75 C ATOM 533 OD1 ASP A 36 2.424 10.684 -2.597 1.00 1.65 O ATOM 534 OD2 ASP A 36 3.332 12.373 -1.480 1.00 1.84 O ATOM 0 H ASP A 36 1.677 9.367 2.019 1.00 0.29 H new ATOM 0 HA ASP A 36 1.260 9.659 -0.856 1.00 0.32 H new ATOM 0 HB2 ASP A 36 3.571 10.824 0.445 1.00 0.45 H new ATOM 0 HB3 ASP A 36 4.042 9.555 -0.667 1.00 0.45 H new ATOM 539 N ALA A 37 2.468 7.373 -1.179 1.00 0.33 N ATOM 540 CA ALA A 37 2.628 5.938 -1.343 1.00 0.33 C ATOM 541 C ALA A 37 3.453 5.631 -2.590 1.00 0.41 C ATOM 542 O ALA A 37 3.416 6.402 -3.549 1.00 0.58 O ATOM 543 CB ALA A 37 1.250 5.278 -1.394 1.00 0.40 C ATOM 0 H ALA A 37 2.583 7.897 -2.046 1.00 0.33 H new ATOM 0 HA ALA A 37 3.172 5.529 -0.492 1.00 0.33 H new ATOM 0 HB1 ALA A 37 1.367 4.201 -1.517 1.00 0.40 H new ATOM 0 HB2 ALA A 37 0.715 5.481 -0.467 1.00 0.40 H new ATOM 0 HB3 ALA A 37 0.685 5.680 -2.235 1.00 0.40 H new ATOM 549 N ASN A 38 4.215 4.531 -2.569 1.00 0.32 N ATOM 550 CA ASN A 38 5.276 4.272 -3.534 1.00 0.37 C ATOM 551 C ASN A 38 5.483 2.760 -3.631 1.00 0.30 C ATOM 552 O ASN A 38 5.973 2.126 -2.697 1.00 0.28 O ATOM 553 CB ASN A 38 6.607 4.976 -3.175 1.00 0.43 C ATOM 554 CG ASN A 38 6.639 5.772 -1.868 1.00 0.43 C ATOM 555 OD1 ASN A 38 6.957 6.954 -1.864 1.00 0.59 O ATOM 556 ND2 ASN A 38 6.334 5.137 -0.740 1.00 0.37 N ATOM 0 H ASN A 38 4.107 3.793 -1.873 1.00 0.32 H new ATOM 0 HA ASN A 38 4.967 4.684 -4.495 1.00 0.37 H new ATOM 0 HB2 ASN A 38 7.390 4.219 -3.130 1.00 0.43 H new ATOM 0 HB3 ASN A 38 6.864 5.652 -3.990 1.00 0.43 H new ATOM 0 HD21 ASN A 38 6.363 5.635 0.150 1.00 0.37 H new ATOM 0 HD22 ASN A 38 6.071 4.152 -0.764 1.00 0.37 H new ATOM 563 N VAL A 39 5.103 2.181 -4.769 1.00 0.32 N ATOM 564 CA VAL A 39 5.187 0.755 -5.025 1.00 0.27 C ATOM 565 C VAL A 39 6.558 0.398 -5.614 1.00 0.25 C ATOM 566 O VAL A 39 6.762 0.443 -6.826 1.00 0.59 O ATOM 567 CB VAL A 39 3.986 0.346 -5.896 1.00 0.41 C ATOM 568 CG1 VAL A 39 3.839 1.171 -7.187 1.00 0.81 C ATOM 569 CG2 VAL A 39 4.026 -1.151 -6.197 1.00 0.73 C ATOM 0 H VAL A 39 4.720 2.708 -5.554 1.00 0.32 H new ATOM 0 HA VAL A 39 5.121 0.178 -4.103 1.00 0.27 H new ATOM 0 HB VAL A 39 3.096 0.569 -5.308 1.00 0.41 H new ATOM 0 HG11 VAL A 39 2.970 0.822 -7.745 1.00 0.81 H new ATOM 0 HG12 VAL A 39 3.709 2.223 -6.934 1.00 0.81 H new ATOM 0 HG13 VAL A 39 4.734 1.053 -7.798 1.00 0.81 H new ATOM 0 HG21 VAL A 39 3.169 -1.421 -6.814 1.00 0.73 H new ATOM 0 HG22 VAL A 39 4.946 -1.391 -6.730 1.00 0.73 H new ATOM 0 HG23 VAL A 39 3.991 -1.711 -5.263 1.00 0.73 H new ATOM 579 N ASN A 40 7.523 0.005 -4.779 1.00 0.32 N ATOM 580 CA ASN A 40 8.865 -0.330 -5.249 1.00 0.29 C ATOM 581 C ASN A 40 8.901 -1.778 -5.767 1.00 0.26 C ATOM 582 O ASN A 40 9.704 -2.612 -5.341 1.00 0.27 O ATOM 583 CB ASN A 40 9.864 -0.082 -4.113 1.00 0.33 C ATOM 584 CG ASN A 40 11.311 -0.155 -4.589 1.00 0.40 C ATOM 585 OD1 ASN A 40 11.590 -0.393 -5.761 1.00 0.55 O ATOM 586 ND2 ASN A 40 12.255 0.070 -3.681 1.00 0.61 N ATOM 0 H ASN A 40 7.397 -0.089 -3.771 1.00 0.32 H new ATOM 0 HA ASN A 40 9.147 0.306 -6.088 1.00 0.29 H new ATOM 0 HB2 ASN A 40 9.677 0.898 -3.675 1.00 0.33 H new ATOM 0 HB3 ASN A 40 9.705 -0.818 -3.325 1.00 0.33 H new ATOM 0 HD21 ASN A 40 13.238 0.047 -3.951 1.00 0.61 H new ATOM 0 HD22 ASN A 40 11.996 0.265 -2.714 1.00 0.61 H new ATOM 593 N LEU A 41 8.031 -2.065 -6.741 1.00 0.28 N ATOM 594 CA LEU A 41 7.916 -3.380 -7.361 1.00 0.30 C ATOM 595 C LEU A 41 9.178 -3.703 -8.158 1.00 0.37 C ATOM 596 O LEU A 41 9.488 -4.872 -8.366 1.00 0.44 O ATOM 597 CB LEU A 41 6.649 -3.455 -8.232 1.00 0.37 C ATOM 598 CG LEU A 41 5.573 -4.432 -7.724 1.00 0.41 C ATOM 599 CD1 LEU A 41 5.893 -5.877 -8.120 1.00 0.75 C ATOM 600 CD2 LEU A 41 5.331 -4.360 -6.211 1.00 0.89 C ATOM 0 H LEU A 41 7.380 -1.378 -7.123 1.00 0.28 H new ATOM 0 HA LEU A 41 7.819 -4.135 -6.581 1.00 0.30 H new ATOM 0 HB2 LEU A 41 6.212 -2.459 -8.300 1.00 0.37 H new ATOM 0 HB3 LEU A 41 6.936 -3.746 -9.242 1.00 0.37 H new ATOM 0 HG LEU A 41 4.653 -4.111 -8.212 1.00 0.41 H new ATOM 0 HD11 LEU A 41 5.112 -6.539 -7.745 1.00 0.75 H new ATOM 0 HD12 LEU A 41 5.943 -5.954 -9.206 1.00 0.75 H new ATOM 0 HD13 LEU A 41 6.852 -6.168 -7.691 1.00 0.75 H new ATOM 0 HD21 LEU A 41 4.560 -5.078 -5.931 1.00 0.89 H new ATOM 0 HD22 LEU A 41 6.255 -4.596 -5.683 1.00 0.89 H new ATOM 0 HD23 LEU A 41 5.006 -3.355 -5.942 1.00 0.89 H new ATOM 612 N ALA A 42 9.942 -2.674 -8.542 1.00 0.40 N ATOM 613 CA ALA A 42 11.268 -2.827 -9.121 1.00 0.49 C ATOM 614 C ALA A 42 12.146 -3.782 -8.308 1.00 0.51 C ATOM 615 O ALA A 42 12.972 -4.478 -8.893 1.00 0.63 O ATOM 616 CB ALA A 42 11.949 -1.463 -9.216 1.00 0.57 C ATOM 0 H ALA A 42 9.647 -1.702 -8.455 1.00 0.40 H new ATOM 0 HA ALA A 42 11.144 -3.256 -10.115 1.00 0.49 H new ATOM 0 HB1 ALA A 42 12.942 -1.581 -9.650 1.00 0.57 H new ATOM 0 HB2 ALA A 42 11.354 -0.802 -9.846 1.00 0.57 H new ATOM 0 HB3 ALA A 42 12.038 -1.031 -8.219 1.00 0.57 H new ATOM 622 N THR A 43 11.985 -3.807 -6.977 1.00 0.46 N ATOM 623 CA THR A 43 12.688 -4.756 -6.118 1.00 0.61 C ATOM 624 C THR A 43 11.684 -5.600 -5.317 1.00 0.70 C ATOM 625 O THR A 43 11.988 -6.072 -4.227 1.00 1.26 O ATOM 626 CB THR A 43 13.733 -4.002 -5.279 1.00 0.72 C ATOM 627 OG1 THR A 43 14.742 -4.852 -4.775 1.00 1.11 O ATOM 628 CG2 THR A 43 13.128 -3.201 -4.124 1.00 0.57 C ATOM 0 H THR A 43 11.366 -3.172 -6.473 1.00 0.46 H new ATOM 0 HA THR A 43 13.248 -5.483 -6.707 1.00 0.61 H new ATOM 0 HB THR A 43 14.180 -3.297 -5.980 1.00 0.72 H new ATOM 0 HG1 THR A 43 14.330 -5.632 -4.348 1.00 1.11 H new ATOM 0 HG21 THR A 43 13.923 -2.695 -3.576 1.00 0.57 H new ATOM 0 HG22 THR A 43 12.433 -2.461 -4.520 1.00 0.57 H new ATOM 0 HG23 THR A 43 12.597 -3.875 -3.453 1.00 0.57 H new ATOM 636 N GLU A 44 10.478 -5.791 -5.868 1.00 0.45 N ATOM 637 CA GLU A 44 9.386 -6.526 -5.245 1.00 0.45 C ATOM 638 C GLU A 44 9.172 -6.094 -3.793 1.00 0.60 C ATOM 639 O GLU A 44 9.237 -6.886 -2.854 1.00 1.09 O ATOM 640 CB GLU A 44 9.633 -8.028 -5.377 1.00 0.50 C ATOM 641 CG GLU A 44 9.514 -8.477 -6.840 1.00 0.93 C ATOM 642 CD GLU A 44 9.788 -9.966 -6.981 1.00 1.67 C ATOM 643 OE1 GLU A 44 8.827 -10.736 -6.769 1.00 1.85 O ATOM 644 OE2 GLU A 44 10.951 -10.303 -7.292 1.00 3.07 O ATOM 0 H GLU A 44 10.235 -5.424 -6.788 1.00 0.45 H new ATOM 0 HA GLU A 44 8.459 -6.291 -5.768 1.00 0.45 H new ATOM 0 HB2 GLU A 44 10.625 -8.272 -4.997 1.00 0.50 H new ATOM 0 HB3 GLU A 44 8.914 -8.574 -4.765 1.00 0.50 H new ATOM 0 HG2 GLU A 44 8.515 -8.251 -7.212 1.00 0.93 H new ATOM 0 HG3 GLU A 44 10.218 -7.915 -7.454 1.00 0.93 H new ATOM 651 N THR A 45 8.902 -4.812 -3.581 1.00 0.32 N ATOM 652 CA THR A 45 8.589 -4.262 -2.287 1.00 0.32 C ATOM 653 C THR A 45 7.565 -3.142 -2.492 1.00 0.28 C ATOM 654 O THR A 45 7.373 -2.674 -3.611 1.00 0.29 O ATOM 655 CB THR A 45 9.910 -3.774 -1.684 1.00 0.38 C ATOM 656 OG1 THR A 45 10.884 -4.798 -1.685 1.00 0.67 O ATOM 657 CG2 THR A 45 9.709 -3.359 -0.242 1.00 0.48 C ATOM 0 H THR A 45 8.897 -4.117 -4.328 1.00 0.32 H new ATOM 0 HA THR A 45 8.146 -4.982 -1.599 1.00 0.32 H new ATOM 0 HB THR A 45 10.244 -2.934 -2.293 1.00 0.38 H new ATOM 0 HG1 THR A 45 11.717 -4.458 -1.296 1.00 0.67 H new ATOM 0 HG21 THR A 45 10.656 -3.015 0.173 1.00 0.48 H new ATOM 0 HG22 THR A 45 8.977 -2.553 -0.194 1.00 0.48 H new ATOM 0 HG23 THR A 45 9.348 -4.211 0.335 1.00 0.48 H new ATOM 665 N VAL A 46 6.891 -2.702 -1.433 1.00 0.33 N ATOM 666 CA VAL A 46 5.977 -1.576 -1.477 1.00 0.30 C ATOM 667 C VAL A 46 6.166 -0.743 -0.214 1.00 0.18 C ATOM 668 O VAL A 46 6.478 -1.301 0.841 1.00 0.19 O ATOM 669 CB VAL A 46 4.548 -2.096 -1.681 1.00 0.42 C ATOM 670 CG1 VAL A 46 4.141 -3.144 -0.644 1.00 0.46 C ATOM 671 CG2 VAL A 46 3.526 -0.969 -1.637 1.00 0.48 C ATOM 0 H VAL A 46 6.969 -3.127 -0.509 1.00 0.33 H new ATOM 0 HA VAL A 46 6.183 -0.916 -2.320 1.00 0.30 H new ATOM 0 HB VAL A 46 4.555 -2.559 -2.668 1.00 0.42 H new ATOM 0 HG11 VAL A 46 3.121 -3.473 -0.841 1.00 0.46 H new ATOM 0 HG12 VAL A 46 4.816 -3.998 -0.705 1.00 0.46 H new ATOM 0 HG13 VAL A 46 4.196 -2.709 0.354 1.00 0.46 H new ATOM 0 HG21 VAL A 46 2.527 -1.378 -1.785 1.00 0.48 H new ATOM 0 HG22 VAL A 46 3.574 -0.472 -0.668 1.00 0.48 H new ATOM 0 HG23 VAL A 46 3.744 -0.249 -2.426 1.00 0.48 H new ATOM 681 N ASN A 47 6.026 0.586 -0.336 1.00 0.17 N ATOM 682 CA ASN A 47 6.232 1.535 0.743 1.00 0.18 C ATOM 683 C ASN A 47 5.048 2.490 0.778 1.00 0.19 C ATOM 684 O ASN A 47 4.604 2.938 -0.280 1.00 0.27 O ATOM 685 CB ASN A 47 7.519 2.336 0.509 1.00 0.21 C ATOM 686 CG ASN A 47 8.789 1.556 0.817 1.00 0.22 C ATOM 687 OD1 ASN A 47 9.544 1.191 -0.079 1.00 0.25 O ATOM 688 ND2 ASN A 47 9.061 1.332 2.097 1.00 0.25 N ATOM 0 H ASN A 47 5.759 1.031 -1.214 1.00 0.17 H new ATOM 0 HA ASN A 47 6.320 0.998 1.688 1.00 0.18 H new ATOM 0 HB2 ASN A 47 7.548 2.665 -0.530 1.00 0.21 H new ATOM 0 HB3 ASN A 47 7.495 3.234 1.127 1.00 0.21 H new ATOM 0 HD21 ASN A 47 9.918 0.844 2.359 1.00 0.25 H new ATOM 0 HD22 ASN A 47 8.413 1.648 2.819 1.00 0.25 H new ATOM 695 N VAL A 48 4.561 2.844 1.971 1.00 0.18 N ATOM 696 CA VAL A 48 3.417 3.721 2.143 1.00 0.19 C ATOM 697 C VAL A 48 3.824 4.729 3.210 1.00 0.19 C ATOM 698 O VAL A 48 4.358 4.324 4.245 1.00 0.20 O ATOM 699 CB VAL A 48 2.162 2.924 2.537 1.00 0.27 C ATOM 700 CG1 VAL A 48 0.937 3.848 2.529 1.00 2.12 C ATOM 701 CG2 VAL A 48 1.889 1.779 1.555 1.00 1.84 C ATOM 0 H VAL A 48 4.961 2.521 2.852 1.00 0.18 H new ATOM 0 HA VAL A 48 3.152 4.230 1.216 1.00 0.19 H new ATOM 0 HB VAL A 48 2.339 2.513 3.531 1.00 0.27 H new ATOM 0 HG11 VAL A 48 0.050 3.279 2.809 1.00 2.12 H new ATOM 0 HG12 VAL A 48 1.088 4.659 3.242 1.00 2.12 H new ATOM 0 HG13 VAL A 48 0.801 4.264 1.531 1.00 2.12 H new ATOM 0 HG21 VAL A 48 0.995 1.239 1.866 1.00 1.84 H new ATOM 0 HG22 VAL A 48 1.738 2.186 0.555 1.00 1.84 H new ATOM 0 HG23 VAL A 48 2.740 1.098 1.545 1.00 1.84 H new ATOM 711 N ILE A 49 3.632 6.018 2.914 1.00 0.21 N ATOM 712 CA ILE A 49 4.047 7.131 3.744 1.00 0.23 C ATOM 713 C ILE A 49 2.790 7.712 4.402 1.00 0.22 C ATOM 714 O ILE A 49 2.073 8.526 3.801 1.00 0.29 O ATOM 715 CB ILE A 49 4.791 8.193 2.906 1.00 0.31 C ATOM 716 CG1 ILE A 49 5.804 7.610 1.902 1.00 0.44 C ATOM 717 CG2 ILE A 49 5.469 9.204 3.841 1.00 0.39 C ATOM 718 CD1 ILE A 49 6.864 6.701 2.527 1.00 0.38 C ATOM 0 H ILE A 49 3.166 6.316 2.057 1.00 0.21 H new ATOM 0 HA ILE A 49 4.745 6.797 4.512 1.00 0.23 H new ATOM 0 HB ILE A 49 4.038 8.690 2.295 1.00 0.31 H new ATOM 0 HG12 ILE A 49 5.261 7.046 1.143 1.00 0.44 H new ATOM 0 HG13 ILE A 49 6.304 8.432 1.391 1.00 0.44 H new ATOM 0 HG21 ILE A 49 5.994 9.953 3.248 1.00 0.39 H new ATOM 0 HG22 ILE A 49 4.714 9.693 4.457 1.00 0.39 H new ATOM 0 HG23 ILE A 49 6.181 8.685 4.483 1.00 0.39 H new ATOM 0 HD11 ILE A 49 7.534 6.335 1.749 1.00 0.38 H new ATOM 0 HD12 ILE A 49 7.437 7.263 3.265 1.00 0.38 H new ATOM 0 HD13 ILE A 49 6.377 5.856 3.013 1.00 0.38 H new ATOM 730 N TYR A 50 2.494 7.279 5.631 1.00 0.21 N ATOM 731 CA TYR A 50 1.243 7.625 6.295 1.00 0.22 C ATOM 732 C TYR A 50 1.469 8.109 7.711 1.00 0.22 C ATOM 733 O TYR A 50 2.551 7.926 8.262 1.00 0.24 O ATOM 734 CB TYR A 50 0.253 6.457 6.256 1.00 0.23 C ATOM 735 CG TYR A 50 0.628 5.162 6.961 1.00 0.23 C ATOM 736 CD1 TYR A 50 0.647 5.095 8.366 1.00 1.84 C ATOM 737 CD2 TYR A 50 0.684 3.964 6.225 1.00 1.98 C ATOM 738 CE1 TYR A 50 0.768 3.860 9.021 1.00 1.82 C ATOM 739 CE2 TYR A 50 0.651 2.722 6.882 1.00 2.05 C ATOM 740 CZ TYR A 50 0.695 2.669 8.284 1.00 0.50 C ATOM 741 OH TYR A 50 0.633 1.468 8.931 1.00 0.67 O ATOM 0 H TYR A 50 3.111 6.685 6.185 1.00 0.21 H new ATOM 0 HA TYR A 50 0.803 8.454 5.741 1.00 0.22 H new ATOM 0 HB2 TYR A 50 -0.688 6.806 6.682 1.00 0.23 H new ATOM 0 HB3 TYR A 50 0.061 6.221 5.209 1.00 0.23 H new ATOM 0 HD1 TYR A 50 0.568 6.003 8.946 1.00 1.84 H new ATOM 0 HD2 TYR A 50 0.753 3.999 5.148 1.00 1.98 H new ATOM 0 HE1 TYR A 50 0.917 3.827 10.090 1.00 1.82 H new ATOM 0 HE2 TYR A 50 0.592 1.809 6.308 1.00 2.05 H new ATOM 0 HH TYR A 50 0.586 0.744 8.273 1.00 0.67 H new ATOM 751 N ASP A 51 0.438 8.741 8.269 1.00 0.31 N ATOM 752 CA ASP A 51 0.395 9.145 9.669 1.00 0.29 C ATOM 753 C ASP A 51 -0.008 7.955 10.550 1.00 0.29 C ATOM 754 O ASP A 51 -1.169 7.535 10.497 1.00 0.35 O ATOM 755 CB ASP A 51 -0.589 10.302 9.855 1.00 0.38 C ATOM 756 CG ASP A 51 -0.816 10.634 11.328 1.00 1.79 C ATOM 757 OD1 ASP A 51 -0.067 10.106 12.179 1.00 2.87 O ATOM 758 OD2 ASP A 51 -1.749 11.420 11.590 1.00 2.57 O ATOM 0 H ASP A 51 -0.404 8.990 7.750 1.00 0.31 H new ATOM 0 HA ASP A 51 1.388 9.481 9.969 1.00 0.29 H new ATOM 0 HB2 ASP A 51 -0.211 11.185 9.339 1.00 0.38 H new ATOM 0 HB3 ASP A 51 -1.541 10.045 9.391 1.00 0.38 H new ATOM 763 N PRO A 52 0.909 7.416 11.376 1.00 0.35 N ATOM 764 CA PRO A 52 0.632 6.273 12.227 1.00 0.39 C ATOM 765 C PRO A 52 -0.268 6.616 13.424 1.00 0.48 C ATOM 766 O PRO A 52 -0.468 5.756 14.281 1.00 0.56 O ATOM 767 CB PRO A 52 2.006 5.771 12.677 1.00 0.50 C ATOM 768 CG PRO A 52 2.811 7.065 12.768 1.00 0.57 C ATOM 769 CD PRO A 52 2.276 7.874 11.586 1.00 0.46 C ATOM 0 HA PRO A 52 0.071 5.512 11.684 1.00 0.39 H new ATOM 0 HB2 PRO A 52 1.956 5.255 13.636 1.00 0.50 H new ATOM 0 HB3 PRO A 52 2.438 5.072 11.961 1.00 0.50 H new ATOM 0 HG2 PRO A 52 2.649 7.577 13.716 1.00 0.57 H new ATOM 0 HG3 PRO A 52 3.882 6.883 12.683 1.00 0.57 H new ATOM 0 HD2 PRO A 52 2.302 8.942 11.800 1.00 0.46 H new ATOM 0 HD3 PRO A 52 2.883 7.713 10.695 1.00 0.46 H new ATOM 777 N ALA A 53 -0.802 7.841 13.518 1.00 0.53 N ATOM 778 CA ALA A 53 -1.832 8.180 14.479 1.00 0.64 C ATOM 779 C ALA A 53 -3.195 7.874 13.867 1.00 0.59 C ATOM 780 O ALA A 53 -4.105 7.481 14.596 1.00 0.73 O ATOM 781 CB ALA A 53 -1.730 9.662 14.848 1.00 0.75 C ATOM 0 H ALA A 53 -0.523 8.620 12.922 1.00 0.53 H new ATOM 0 HA ALA A 53 -1.704 7.591 15.387 1.00 0.64 H new ATOM 0 HB1 ALA A 53 -2.507 9.911 15.571 1.00 0.75 H new ATOM 0 HB2 ALA A 53 -0.751 9.862 15.284 1.00 0.75 H new ATOM 0 HB3 ALA A 53 -1.859 10.270 13.952 1.00 0.75 H new ATOM 787 N GLU A 54 -3.332 8.059 12.544 1.00 0.49 N ATOM 788 CA GLU A 54 -4.608 7.917 11.864 1.00 0.48 C ATOM 789 C GLU A 54 -4.666 6.532 11.214 1.00 0.41 C ATOM 790 O GLU A 54 -5.527 5.716 11.538 1.00 0.51 O ATOM 791 CB GLU A 54 -4.822 9.046 10.837 1.00 0.57 C ATOM 792 CG GLU A 54 -6.214 9.696 10.916 1.00 0.65 C ATOM 793 CD GLU A 54 -6.211 10.985 11.728 1.00 1.71 C ATOM 794 OE1 GLU A 54 -6.348 10.880 12.965 1.00 3.01 O ATOM 795 OE2 GLU A 54 -6.109 12.049 11.082 1.00 2.65 O ATOM 0 H GLU A 54 -2.559 8.310 11.928 1.00 0.49 H new ATOM 0 HA GLU A 54 -5.421 8.003 12.585 1.00 0.48 H new ATOM 0 HB2 GLU A 54 -4.063 9.813 10.990 1.00 0.57 H new ATOM 0 HB3 GLU A 54 -4.674 8.646 9.834 1.00 0.57 H new ATOM 0 HG2 GLU A 54 -6.571 9.906 9.908 1.00 0.65 H new ATOM 0 HG3 GLU A 54 -6.916 8.991 11.362 1.00 0.65 H new ATOM 802 N THR A 55 -3.727 6.269 10.299 1.00 0.35 N ATOM 803 CA THR A 55 -3.383 4.929 9.856 1.00 0.37 C ATOM 804 C THR A 55 -2.394 4.250 10.791 1.00 0.36 C ATOM 805 O THR A 55 -2.140 4.714 11.897 1.00 0.41 O ATOM 806 CB THR A 55 -3.108 4.849 8.341 1.00 0.43 C ATOM 807 OG1 THR A 55 -2.642 6.089 7.884 1.00 0.44 O ATOM 808 CG2 THR A 55 -4.432 4.631 7.619 1.00 0.49 C ATOM 0 H THR A 55 -3.180 6.999 9.843 1.00 0.35 H new ATOM 0 HA THR A 55 -4.266 4.296 9.950 1.00 0.37 H new ATOM 0 HB THR A 55 -2.389 4.051 8.157 1.00 0.43 H new ATOM 0 HG1 THR A 55 -2.693 6.117 6.906 1.00 0.44 H new ATOM 0 HG21 THR A 55 -4.255 4.572 6.545 1.00 0.49 H new ATOM 0 HG22 THR A 55 -4.886 3.702 7.964 1.00 0.49 H new ATOM 0 HG23 THR A 55 -5.103 5.463 7.831 1.00 0.49 H new ATOM 816 N GLY A 56 -1.954 3.061 10.388 1.00 0.48 N ATOM 817 CA GLY A 56 -1.664 1.981 11.299 1.00 0.49 C ATOM 818 C GLY A 56 -2.482 0.816 10.758 1.00 0.95 C ATOM 819 O GLY A 56 -3.655 0.710 11.081 1.00 2.20 O ATOM 0 H GLY A 56 -1.790 2.828 9.409 1.00 0.48 H new ATOM 0 HA2 GLY A 56 -0.599 1.748 11.316 1.00 0.49 H new ATOM 0 HA3 GLY A 56 -1.952 2.231 12.320 1.00 0.49 H new ATOM 823 N THR A 57 -1.821 -0.010 9.944 1.00 0.48 N ATOM 824 CA THR A 57 -2.117 -0.907 8.822 1.00 0.61 C ATOM 825 C THR A 57 -3.563 -1.293 8.542 1.00 0.42 C ATOM 826 O THR A 57 -3.884 -1.593 7.395 1.00 0.45 O ATOM 827 CB THR A 57 -1.347 -2.212 9.094 1.00 0.87 C ATOM 828 OG1 THR A 57 -1.748 -2.733 10.348 1.00 0.97 O ATOM 829 CG2 THR A 57 0.171 -2.010 9.124 1.00 1.04 C ATOM 0 H THR A 57 -0.816 -0.072 10.107 1.00 0.48 H new ATOM 0 HA THR A 57 -1.828 -0.337 7.939 1.00 0.61 H new ATOM 0 HB THR A 57 -1.579 -2.897 8.278 1.00 0.87 H new ATOM 0 HG1 THR A 57 -1.263 -3.565 10.527 1.00 0.97 H new ATOM 0 HG21 THR A 57 0.661 -2.964 9.320 1.00 1.04 H new ATOM 0 HG22 THR A 57 0.505 -1.621 8.162 1.00 1.04 H new ATOM 0 HG23 THR A 57 0.428 -1.302 9.911 1.00 1.04 H new ATOM 837 N ALA A 58 -4.430 -1.220 9.539 1.00 0.38 N ATOM 838 CA ALA A 58 -5.869 -1.286 9.450 1.00 0.43 C ATOM 839 C ALA A 58 -6.419 -0.802 8.113 1.00 0.42 C ATOM 840 O ALA A 58 -7.039 -1.565 7.372 1.00 0.46 O ATOM 841 CB ALA A 58 -6.394 -0.397 10.580 1.00 0.53 C ATOM 0 H ALA A 58 -4.116 -1.104 10.502 1.00 0.38 H new ATOM 0 HA ALA A 58 -6.191 -2.324 9.535 1.00 0.43 H new ATOM 0 HB1 ALA A 58 -7.484 -0.402 10.570 1.00 0.53 H new ATOM 0 HB2 ALA A 58 -6.038 -0.777 11.537 1.00 0.53 H new ATOM 0 HB3 ALA A 58 -6.034 0.622 10.438 1.00 0.53 H new ATOM 847 N ALA A 59 -6.193 0.477 7.806 1.00 0.41 N ATOM 848 CA ALA A 59 -6.935 1.076 6.694 1.00 0.43 C ATOM 849 C ALA A 59 -6.377 0.568 5.371 1.00 0.41 C ATOM 850 O ALA A 59 -7.098 0.280 4.413 1.00 0.41 O ATOM 851 CB ALA A 59 -6.943 2.599 6.773 1.00 0.50 C ATOM 0 H ALA A 59 -5.536 1.093 8.284 1.00 0.41 H new ATOM 0 HA ALA A 59 -7.978 0.768 6.763 1.00 0.43 H new ATOM 0 HB1 ALA A 59 -7.503 3.004 5.930 1.00 0.50 H new ATOM 0 HB2 ALA A 59 -7.413 2.913 7.705 1.00 0.50 H new ATOM 0 HB3 ALA A 59 -5.919 2.970 6.740 1.00 0.50 H new ATOM 857 N ILE A 60 -5.050 0.461 5.356 1.00 0.42 N ATOM 858 CA ILE A 60 -4.294 -0.065 4.251 1.00 0.43 C ATOM 859 C ILE A 60 -4.811 -1.444 3.899 1.00 0.43 C ATOM 860 O ILE A 60 -5.218 -1.645 2.765 1.00 0.47 O ATOM 861 CB ILE A 60 -2.794 -0.050 4.606 1.00 0.41 C ATOM 862 CG1 ILE A 60 -2.215 1.279 4.121 1.00 0.40 C ATOM 863 CG2 ILE A 60 -1.985 -1.205 3.998 1.00 0.41 C ATOM 864 CD1 ILE A 60 -2.551 2.451 5.046 1.00 0.95 C ATOM 0 H ILE A 60 -4.466 0.750 6.141 1.00 0.42 H new ATOM 0 HA ILE A 60 -4.417 0.555 3.363 1.00 0.43 H new ATOM 0 HB ILE A 60 -2.717 -0.173 5.686 1.00 0.41 H new ATOM 0 HG12 ILE A 60 -1.132 1.188 4.037 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -2.595 1.491 3.122 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -0.941 -1.116 4.299 1.00 0.41 H new ATOM 0 HG22 ILE A 60 -2.385 -2.155 4.352 1.00 0.41 H new ATOM 0 HG23 ILE A 60 -2.054 -1.165 2.911 1.00 0.41 H new ATOM 0 HD11 ILE A 60 -2.112 3.366 4.648 1.00 0.95 H new ATOM 0 HD12 ILE A 60 -3.633 2.565 5.110 1.00 0.95 H new ATOM 0 HD13 ILE A 60 -2.147 2.257 6.040 1.00 0.95 H new ATOM 876 N GLN A 61 -4.804 -2.378 4.849 1.00 0.42 N ATOM 877 CA GLN A 61 -5.168 -3.761 4.583 1.00 0.39 C ATOM 878 C GLN A 61 -6.613 -3.833 4.081 1.00 0.33 C ATOM 879 O GLN A 61 -6.887 -4.510 3.090 1.00 0.31 O ATOM 880 CB GLN A 61 -4.880 -4.631 5.813 1.00 0.48 C ATOM 881 CG GLN A 61 -3.952 -5.820 5.511 1.00 0.56 C ATOM 882 CD GLN A 61 -3.100 -6.181 6.724 1.00 0.76 C ATOM 883 OE1 GLN A 61 -3.333 -7.178 7.394 1.00 1.46 O ATOM 884 NE2 GLN A 61 -2.093 -5.359 7.015 1.00 1.08 N ATOM 0 H GLN A 61 -4.547 -2.195 5.819 1.00 0.42 H new ATOM 0 HA GLN A 61 -4.552 -4.171 3.783 1.00 0.39 H new ATOM 0 HB2 GLN A 61 -4.428 -4.013 6.589 1.00 0.48 H new ATOM 0 HB3 GLN A 61 -5.822 -5.006 6.213 1.00 0.48 H new ATOM 0 HG2 GLN A 61 -4.548 -6.683 5.213 1.00 0.56 H new ATOM 0 HG3 GLN A 61 -3.304 -5.574 4.669 1.00 0.56 H new ATOM 0 HE21 GLN A 61 -1.924 -4.535 6.437 1.00 1.08 H new ATOM 0 HE22 GLN A 61 -1.491 -5.553 7.815 1.00 1.08 H new ATOM 893 N GLU A 62 -7.515 -3.075 4.720 1.00 0.34 N ATOM 894 CA GLU A 62 -8.887 -2.904 4.254 1.00 0.36 C ATOM 895 C GLU A 62 -8.934 -2.598 2.753 1.00 0.34 C ATOM 896 O GLU A 62 -9.552 -3.326 1.972 1.00 0.33 O ATOM 897 CB GLU A 62 -9.570 -1.801 5.087 1.00 0.39 C ATOM 898 CG GLU A 62 -10.492 -2.365 6.178 1.00 0.51 C ATOM 899 CD GLU A 62 -11.945 -2.277 5.740 1.00 1.59 C ATOM 900 OE1 GLU A 62 -12.388 -3.229 5.063 1.00 2.66 O ATOM 901 OE2 GLU A 62 -12.576 -1.243 6.035 1.00 2.74 O ATOM 0 H GLU A 62 -7.307 -2.564 5.578 1.00 0.34 H new ATOM 0 HA GLU A 62 -9.433 -3.837 4.394 1.00 0.36 H new ATOM 0 HB2 GLU A 62 -8.806 -1.176 5.550 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -10.149 -1.158 4.425 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -10.230 -3.403 6.384 1.00 0.51 H new ATOM 0 HG3 GLU A 62 -10.351 -1.810 7.105 1.00 0.51 H new ATOM 908 N LYS A 63 -8.285 -1.514 2.334 1.00 0.36 N ATOM 909 CA LYS A 63 -8.272 -1.119 0.947 1.00 0.37 C ATOM 910 C LYS A 63 -7.547 -2.127 0.065 1.00 0.32 C ATOM 911 O LYS A 63 -8.036 -2.427 -1.018 1.00 0.36 O ATOM 912 CB LYS A 63 -7.666 0.271 0.851 1.00 0.44 C ATOM 913 CG LYS A 63 -8.721 1.357 1.069 1.00 0.56 C ATOM 914 CD LYS A 63 -9.804 1.494 -0.017 1.00 0.68 C ATOM 915 CE LYS A 63 -11.171 0.933 0.423 1.00 1.81 C ATOM 916 NZ LYS A 63 -12.291 1.501 -0.356 1.00 2.35 N ATOM 0 H LYS A 63 -7.759 -0.895 2.951 1.00 0.36 H new ATOM 0 HA LYS A 63 -9.294 -1.094 0.570 1.00 0.37 H new ATOM 0 HB2 LYS A 63 -6.875 0.376 1.593 1.00 0.44 H new ATOM 0 HB3 LYS A 63 -7.204 0.401 -0.128 1.00 0.44 H new ATOM 0 HG2 LYS A 63 -9.216 1.165 2.021 1.00 0.56 H new ATOM 0 HG3 LYS A 63 -8.210 2.315 1.163 1.00 0.56 H new ATOM 0 HD2 LYS A 63 -9.916 2.546 -0.280 1.00 0.68 H new ATOM 0 HD3 LYS A 63 -9.476 0.974 -0.917 1.00 0.68 H new ATOM 0 HE2 LYS A 63 -11.168 -0.151 0.312 1.00 1.81 H new ATOM 0 HE3 LYS A 63 -11.324 1.145 1.481 1.00 1.81 H new ATOM 0 HZ1 LYS A 63 -13.188 1.093 -0.023 1.00 2.35 H new ATOM 0 HZ2 LYS A 63 -12.313 2.533 -0.231 1.00 2.35 H new ATOM 0 HZ3 LYS A 63 -12.162 1.277 -1.363 1.00 2.35 H new ATOM 930 N ILE A 64 -6.402 -2.638 0.515 1.00 0.28 N ATOM 931 CA ILE A 64 -5.598 -3.637 -0.171 1.00 0.23 C ATOM 932 C ILE A 64 -6.543 -4.759 -0.643 1.00 0.23 C ATOM 933 O ILE A 64 -6.615 -5.076 -1.832 1.00 0.25 O ATOM 934 CB ILE A 64 -4.481 -4.131 0.775 1.00 0.25 C ATOM 935 CG1 ILE A 64 -3.126 -3.520 0.402 1.00 0.44 C ATOM 936 CG2 ILE A 64 -4.364 -5.650 0.944 1.00 0.38 C ATOM 937 CD1 ILE A 64 -2.544 -4.162 -0.856 1.00 0.65 C ATOM 0 H ILE A 64 -5.996 -2.352 1.406 1.00 0.28 H new ATOM 0 HA ILE A 64 -5.098 -3.229 -1.049 1.00 0.23 H new ATOM 0 HB ILE A 64 -4.793 -3.772 1.756 1.00 0.25 H new ATOM 0 HG12 ILE A 64 -3.242 -2.448 0.243 1.00 0.44 H new ATOM 0 HG13 ILE A 64 -2.429 -3.646 1.231 1.00 0.44 H new ATOM 0 HG21 ILE A 64 -3.547 -5.878 1.629 1.00 0.38 H new ATOM 0 HG22 ILE A 64 -5.297 -6.044 1.347 1.00 0.38 H new ATOM 0 HG23 ILE A 64 -4.164 -6.109 -0.024 1.00 0.38 H new ATOM 0 HD11 ILE A 64 -1.583 -3.702 -1.088 1.00 0.65 H new ATOM 0 HD12 ILE A 64 -2.404 -5.230 -0.688 1.00 0.65 H new ATOM 0 HD13 ILE A 64 -3.229 -4.013 -1.691 1.00 0.65 H new ATOM 949 N GLU A 65 -7.310 -5.304 0.310 1.00 0.24 N ATOM 950 CA GLU A 65 -8.313 -6.331 0.075 1.00 0.31 C ATOM 951 C GLU A 65 -9.388 -5.824 -0.885 1.00 0.35 C ATOM 952 O GLU A 65 -9.627 -6.431 -1.926 1.00 0.42 O ATOM 953 CB GLU A 65 -8.929 -6.756 1.416 1.00 0.38 C ATOM 954 CG GLU A 65 -8.035 -7.762 2.157 1.00 0.44 C ATOM 955 CD GLU A 65 -8.445 -9.204 1.874 1.00 0.69 C ATOM 956 OE1 GLU A 65 -8.767 -9.488 0.701 1.00 1.29 O ATOM 957 OE2 GLU A 65 -8.469 -9.985 2.848 1.00 1.68 O ATOM 0 H GLU A 65 -7.242 -5.030 1.290 1.00 0.24 H new ATOM 0 HA GLU A 65 -7.840 -7.197 -0.388 1.00 0.31 H new ATOM 0 HB2 GLU A 65 -9.083 -5.876 2.041 1.00 0.38 H new ATOM 0 HB3 GLU A 65 -9.910 -7.199 1.242 1.00 0.38 H new ATOM 0 HG2 GLU A 65 -6.997 -7.614 1.858 1.00 0.44 H new ATOM 0 HG3 GLU A 65 -8.088 -7.573 3.229 1.00 0.44 H new ATOM 964 N LYS A 66 -10.060 -4.717 -0.546 1.00 0.37 N ATOM 965 CA LYS A 66 -11.195 -4.233 -1.333 1.00 0.50 C ATOM 966 C LYS A 66 -10.818 -3.915 -2.788 1.00 0.54 C ATOM 967 O LYS A 66 -11.646 -4.058 -3.683 1.00 0.66 O ATOM 968 CB LYS A 66 -11.862 -3.028 -0.649 1.00 0.57 C ATOM 969 CG LYS A 66 -13.026 -3.441 0.265 1.00 0.78 C ATOM 970 CD LYS A 66 -12.562 -4.130 1.555 1.00 2.69 C ATOM 971 CE LYS A 66 -13.759 -4.725 2.308 1.00 3.39 C ATOM 972 NZ LYS A 66 -13.373 -5.199 3.650 1.00 5.32 N ATOM 0 H LYS A 66 -9.836 -4.142 0.267 1.00 0.37 H new ATOM 0 HA LYS A 66 -11.919 -5.047 -1.377 1.00 0.50 H new ATOM 0 HB2 LYS A 66 -11.118 -2.489 -0.063 1.00 0.57 H new ATOM 0 HB3 LYS A 66 -12.229 -2.339 -1.410 1.00 0.57 H new ATOM 0 HG2 LYS A 66 -13.610 -2.557 0.522 1.00 0.78 H new ATOM 0 HG3 LYS A 66 -13.688 -4.113 -0.281 1.00 0.78 H new ATOM 0 HD2 LYS A 66 -11.847 -4.918 1.317 1.00 2.69 H new ATOM 0 HD3 LYS A 66 -12.045 -3.412 2.192 1.00 2.69 H new ATOM 0 HE2 LYS A 66 -14.543 -3.973 2.398 1.00 3.39 H new ATOM 0 HE3 LYS A 66 -14.176 -5.553 1.735 1.00 3.39 H new ATOM 0 HZ1 LYS A 66 -14.215 -5.243 4.258 1.00 5.32 H new ATOM 0 HZ2 LYS A 66 -12.950 -6.146 3.575 1.00 5.32 H new ATOM 0 HZ3 LYS A 66 -12.681 -4.542 4.064 1.00 5.32 H new ATOM 986 N LEU A 67 -9.581 -3.482 -3.032 1.00 0.50 N ATOM 987 CA LEU A 67 -9.041 -3.247 -4.365 1.00 0.60 C ATOM 988 C LEU A 67 -8.869 -4.549 -5.158 1.00 0.67 C ATOM 989 O LEU A 67 -8.711 -4.501 -6.376 1.00 0.76 O ATOM 990 CB LEU A 67 -7.728 -2.457 -4.254 1.00 0.61 C ATOM 991 CG LEU A 67 -8.005 -0.956 -4.049 1.00 0.70 C ATOM 992 CD1 LEU A 67 -6.879 -0.282 -3.258 1.00 0.70 C ATOM 993 CD2 LEU A 67 -8.166 -0.263 -5.409 1.00 0.87 C ATOM 0 H LEU A 67 -8.913 -3.281 -2.288 1.00 0.50 H new ATOM 0 HA LEU A 67 -9.758 -2.651 -4.930 1.00 0.60 H new ATOM 0 HB2 LEU A 67 -7.138 -2.839 -3.421 1.00 0.61 H new ATOM 0 HB3 LEU A 67 -7.135 -2.601 -5.157 1.00 0.61 H new ATOM 0 HG LEU A 67 -8.927 -0.861 -3.476 1.00 0.70 H new ATOM 0 HD11 LEU A 67 -7.106 0.776 -3.131 1.00 0.70 H new ATOM 0 HD12 LEU A 67 -6.789 -0.753 -2.279 1.00 0.70 H new ATOM 0 HD13 LEU A 67 -5.939 -0.389 -3.800 1.00 0.70 H new ATOM 0 HD21 LEU A 67 -8.362 0.798 -5.256 1.00 0.87 H new ATOM 0 HD22 LEU A 67 -7.251 -0.383 -5.989 1.00 0.87 H new ATOM 0 HD23 LEU A 67 -9.000 -0.711 -5.949 1.00 0.87 H new ATOM 1005 N GLY A 68 -8.879 -5.703 -4.484 1.00 0.64 N ATOM 1006 CA GLY A 68 -8.735 -7.011 -5.098 1.00 0.66 C ATOM 1007 C GLY A 68 -7.261 -7.390 -5.158 1.00 0.60 C ATOM 1008 O GLY A 68 -6.780 -7.845 -6.193 1.00 0.60 O ATOM 0 H GLY A 68 -8.991 -5.746 -3.471 1.00 0.64 H new ATOM 0 HA2 GLY A 68 -9.289 -7.755 -4.526 1.00 0.66 H new ATOM 0 HA3 GLY A 68 -9.159 -7.001 -6.102 1.00 0.66 H new ATOM 1012 N TYR A 69 -6.549 -7.189 -4.048 1.00 0.59 N ATOM 1013 CA TYR A 69 -5.120 -7.416 -3.934 1.00 0.54 C ATOM 1014 C TYR A 69 -4.822 -7.960 -2.543 1.00 0.43 C ATOM 1015 O TYR A 69 -5.717 -8.029 -1.704 1.00 0.43 O ATOM 1016 CB TYR A 69 -4.400 -6.089 -4.163 1.00 0.65 C ATOM 1017 CG TYR A 69 -3.547 -6.140 -5.401 1.00 0.68 C ATOM 1018 CD1 TYR A 69 -4.127 -5.929 -6.662 1.00 2.16 C ATOM 1019 CD2 TYR A 69 -2.183 -6.449 -5.294 1.00 1.44 C ATOM 1020 CE1 TYR A 69 -3.313 -5.881 -7.801 1.00 2.17 C ATOM 1021 CE2 TYR A 69 -1.368 -6.364 -6.429 1.00 1.46 C ATOM 1022 CZ TYR A 69 -1.930 -6.096 -7.687 1.00 0.78 C ATOM 1023 OH TYR A 69 -1.132 -5.962 -8.785 1.00 0.85 O ATOM 0 H TYR A 69 -6.970 -6.854 -3.181 1.00 0.59 H new ATOM 0 HA TYR A 69 -4.777 -8.139 -4.674 1.00 0.54 H new ATOM 0 HB2 TYR A 69 -5.132 -5.286 -4.255 1.00 0.65 H new ATOM 0 HB3 TYR A 69 -3.778 -5.856 -3.299 1.00 0.65 H new ATOM 0 HD1 TYR A 69 -5.196 -5.804 -6.753 1.00 2.16 H new ATOM 0 HD2 TYR A 69 -1.765 -6.750 -4.345 1.00 1.44 H new ATOM 0 HE1 TYR A 69 -3.750 -5.678 -8.768 1.00 2.17 H new ATOM 0 HE2 TYR A 69 -0.301 -6.505 -6.336 1.00 1.46 H new ATOM 0 HH TYR A 69 -1.416 -6.597 -9.475 1.00 0.85 H new ATOM 1033 N HIS A 70 -3.563 -8.324 -2.281 1.00 0.40 N ATOM 1034 CA HIS A 70 -3.145 -8.735 -0.954 1.00 0.39 C ATOM 1035 C HIS A 70 -1.712 -8.269 -0.716 1.00 0.42 C ATOM 1036 O HIS A 70 -0.910 -8.234 -1.649 1.00 0.66 O ATOM 1037 CB HIS A 70 -3.329 -10.250 -0.804 1.00 0.43 C ATOM 1038 CG HIS A 70 -3.271 -10.746 0.619 1.00 0.55 C ATOM 1039 ND1 HIS A 70 -2.729 -11.943 1.029 1.00 1.78 N ATOM 1040 CD2 HIS A 70 -3.882 -10.178 1.709 1.00 1.87 C ATOM 1041 CE1 HIS A 70 -2.983 -12.075 2.342 1.00 1.41 C ATOM 1042 NE2 HIS A 70 -3.678 -11.024 2.802 1.00 1.41 N ATOM 0 H HIS A 70 -2.819 -8.339 -2.979 1.00 0.40 H new ATOM 0 HA HIS A 70 -3.763 -8.271 -0.185 1.00 0.39 H new ATOM 0 HB2 HIS A 70 -4.290 -10.532 -1.235 1.00 0.43 H new ATOM 0 HB3 HIS A 70 -2.558 -10.757 -1.384 1.00 0.43 H new ATOM 0 HD2 HIS A 70 -4.424 -9.244 1.720 1.00 1.87 H new ATOM 0 HE1 HIS A 70 -2.670 -12.914 2.945 1.00 1.41 H new ATOM 0 HE2 HIS A 70 -3.995 -10.872 3.760 1.00 1.41 H new ATOM 1050 N VAL A 71 -1.402 -7.882 0.522 1.00 0.40 N ATOM 1051 CA VAL A 71 -0.087 -7.424 0.942 1.00 0.44 C ATOM 1052 C VAL A 71 0.459 -8.466 1.914 1.00 0.44 C ATOM 1053 O VAL A 71 -0.319 -9.064 2.656 1.00 0.53 O ATOM 1054 CB VAL A 71 -0.210 -6.014 1.549 1.00 0.57 C ATOM 1055 CG1 VAL A 71 -0.815 -5.996 2.958 1.00 1.53 C ATOM 1056 CG2 VAL A 71 1.128 -5.279 1.558 1.00 1.16 C ATOM 0 H VAL A 71 -2.084 -7.880 1.280 1.00 0.40 H new ATOM 0 HA VAL A 71 0.613 -7.332 0.112 1.00 0.44 H new ATOM 0 HB VAL A 71 -0.905 -5.491 0.892 1.00 0.57 H new ATOM 0 HG11 VAL A 71 -0.869 -4.968 3.318 1.00 1.53 H new ATOM 0 HG12 VAL A 71 -1.817 -6.424 2.929 1.00 1.53 H new ATOM 0 HG13 VAL A 71 -0.189 -6.583 3.630 1.00 1.53 H new ATOM 0 HG21 VAL A 71 0.996 -4.289 1.994 1.00 1.16 H new ATOM 0 HG22 VAL A 71 1.849 -5.843 2.150 1.00 1.16 H new ATOM 0 HG23 VAL A 71 1.495 -5.180 0.537 1.00 1.16 H new ATOM 1066 N VAL A 72 1.768 -8.713 1.887 1.00 0.44 N ATOM 1067 CA VAL A 72 2.417 -9.697 2.742 1.00 0.47 C ATOM 1068 C VAL A 72 3.498 -8.975 3.538 1.00 0.53 C ATOM 1069 O VAL A 72 4.144 -8.064 3.026 1.00 0.59 O ATOM 1070 CB VAL A 72 2.977 -10.865 1.928 1.00 0.57 C ATOM 1071 CG1 VAL A 72 3.334 -12.040 2.846 1.00 0.69 C ATOM 1072 CG2 VAL A 72 1.993 -11.365 0.864 1.00 0.68 C ATOM 0 H VAL A 72 2.412 -8.228 1.262 1.00 0.44 H new ATOM 0 HA VAL A 72 1.694 -10.140 3.427 1.00 0.47 H new ATOM 0 HB VAL A 72 3.868 -10.487 1.426 1.00 0.57 H new ATOM 0 HG11 VAL A 72 3.731 -12.861 2.249 1.00 0.69 H new ATOM 0 HG12 VAL A 72 4.085 -11.722 3.569 1.00 0.69 H new ATOM 0 HG13 VAL A 72 2.441 -12.374 3.374 1.00 0.69 H new ATOM 0 HG21 VAL A 72 2.440 -12.194 0.316 1.00 0.68 H new ATOM 0 HG22 VAL A 72 1.076 -11.702 1.347 1.00 0.68 H new ATOM 0 HG23 VAL A 72 1.762 -10.555 0.172 1.00 0.68 H new ATOM 1082 N ILE A 73 3.653 -9.335 4.811 1.00 0.59 N ATOM 1083 CA ILE A 73 4.578 -8.682 5.716 1.00 0.80 C ATOM 1084 C ILE A 73 5.734 -9.647 5.987 1.00 0.93 C ATOM 1085 O ILE A 73 5.791 -10.290 7.032 1.00 0.98 O ATOM 1086 CB ILE A 73 3.846 -8.173 6.974 1.00 0.90 C ATOM 1087 CG1 ILE A 73 2.837 -7.063 6.627 1.00 1.17 C ATOM 1088 CG2 ILE A 73 4.822 -7.549 7.974 1.00 1.10 C ATOM 1089 CD1 ILE A 73 1.455 -7.611 6.301 1.00 1.26 C ATOM 0 H ILE A 73 3.130 -10.098 5.241 1.00 0.59 H new ATOM 0 HA ILE A 73 5.006 -7.782 5.274 1.00 0.80 H new ATOM 0 HB ILE A 73 3.347 -9.045 7.397 1.00 0.90 H new ATOM 0 HG12 ILE A 73 2.761 -6.371 7.466 1.00 1.17 H new ATOM 0 HG13 ILE A 73 3.208 -6.493 5.775 1.00 1.17 H new ATOM 0 HG21 ILE A 73 4.273 -7.201 8.849 1.00 1.10 H new ATOM 0 HG22 ILE A 73 5.556 -8.294 8.279 1.00 1.10 H new ATOM 0 HG23 ILE A 73 5.333 -6.707 7.507 1.00 1.10 H new ATOM 0 HD11 ILE A 73 0.783 -6.786 6.064 1.00 1.26 H new ATOM 0 HD12 ILE A 73 1.522 -8.282 5.445 1.00 1.26 H new ATOM 0 HD13 ILE A 73 1.068 -8.158 7.161 1.00 1.26 H new ATOM 1101 N GLU A 74 6.679 -9.712 5.047 1.00 1.05 N ATOM 1102 CA GLU A 74 7.928 -10.441 5.192 1.00 1.22 C ATOM 1103 C GLU A 74 8.863 -9.866 6.255 1.00 1.32 C ATOM 1104 O GLU A 74 9.802 -10.522 6.698 1.00 1.38 O ATOM 1105 CB GLU A 74 8.618 -10.616 3.838 1.00 1.33 C ATOM 1106 CG GLU A 74 8.302 -11.974 3.199 1.00 1.35 C ATOM 1107 CD GLU A 74 6.813 -12.162 2.962 1.00 2.50 C ATOM 1108 OE1 GLU A 74 6.234 -11.270 2.306 1.00 3.96 O ATOM 1109 OE2 GLU A 74 6.278 -13.173 3.464 1.00 3.26 O ATOM 0 H GLU A 74 6.589 -9.246 4.144 1.00 1.05 H new ATOM 0 HA GLU A 74 7.664 -11.430 5.567 1.00 1.22 H new ATOM 0 HB2 GLU A 74 8.303 -9.818 3.166 1.00 1.33 H new ATOM 0 HB3 GLU A 74 9.696 -10.518 3.966 1.00 1.33 H new ATOM 0 HG2 GLU A 74 8.833 -12.060 2.251 1.00 1.35 H new ATOM 0 HG3 GLU A 74 8.669 -12.772 3.844 1.00 1.35 H new ATOM 1116 N GLY A 75 8.576 -8.638 6.667 1.00 1.41 N ATOM 1117 CA GLY A 75 9.385 -7.881 7.604 1.00 1.62 C ATOM 1118 C GLY A 75 10.597 -7.303 6.880 1.00 3.26 C ATOM 1119 O GLY A 75 11.705 -7.816 7.030 1.00 3.91 O ATOM 0 H GLY A 75 7.751 -8.130 6.348 1.00 1.41 H new ATOM 0 HA2 GLY A 75 8.794 -7.078 8.044 1.00 1.62 H new ATOM 0 HA3 GLY A 75 9.710 -8.524 8.422 1.00 1.62 H new ATOM 1123 N ARG A 76 10.366 -6.202 6.155 1.00 4.52 N ATOM 1124 CA ARG A 76 11.315 -5.493 5.318 1.00 6.59 C ATOM 1125 C ARG A 76 11.810 -6.342 4.137 1.00 8.21 C ATOM 1126 O ARG A 76 12.612 -5.799 3.344 1.00 9.66 O ATOM 1127 CB ARG A 76 12.390 -4.893 6.235 1.00 7.34 C ATOM 1128 CG ARG A 76 13.522 -4.105 5.564 1.00 9.37 C ATOM 1129 CD ARG A 76 13.017 -2.867 4.812 1.00 10.56 C ATOM 1130 NE ARG A 76 13.986 -2.454 3.786 1.00 12.30 N ATOM 1131 CZ ARG A 76 14.089 -1.228 3.249 1.00 13.56 C ATOM 1132 NH1 ARG A 76 13.335 -0.224 3.711 1.00 13.43 N ATOM 1133 NH2 ARG A 76 14.948 -1.012 2.247 1.00 15.21 N ATOM 1134 OXT ARG A 76 11.314 -7.481 3.990 1.00 8.47 O ATOM 0 H ARG A 76 9.446 -5.761 6.143 1.00 4.52 H new ATOM 0 HA ARG A 76 10.843 -4.659 4.798 1.00 6.59 H new ATOM 0 HB2 ARG A 76 11.896 -4.234 6.949 1.00 7.34 H new ATOM 0 HB3 ARG A 76 12.837 -5.705 6.808 1.00 7.34 H new ATOM 0 HG2 ARG A 76 14.243 -3.796 6.321 1.00 9.37 H new ATOM 0 HG3 ARG A 76 14.050 -4.757 4.868 1.00 9.37 H new ATOM 0 HD2 ARG A 76 12.056 -3.085 4.346 1.00 10.56 H new ATOM 0 HD3 ARG A 76 12.853 -2.050 5.515 1.00 10.56 H new ATOM 0 HE ARG A 76 14.639 -3.163 3.452 1.00 12.30 H new ATOM 0 HH11 ARG A 76 12.679 -0.389 4.474 1.00 13.43 H new ATOM 0 HH12 ARG A 76 13.417 0.706 3.300 1.00 13.43 H new ATOM 0 HH21 ARG A 76 15.522 -1.777 1.893 1.00 15.21 H new ATOM 0 HH22 ARG A 76 15.029 -0.082 1.836 1.00 15.21 H new TER 1148 ARG A 76 HETATM 1149 CU CU A 77 -0.720 -5.861 -13.976 1.00 1.89 CU