USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 666 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+ 126:sc= 1.21 (180deg=0.18) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HE2:sc= -5.65! C(o=-5.6!,f=-7.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.74) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -2.87 X(o=-2.9,f=-2.7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.6! C(o=-1.6!,f=-2.1!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= 1.09 (180deg=0.254) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= -0.0077 (180deg=-0.207) USER MOD Single : A 44 THR OG1 : rot -4:sc= -4.17 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -13.7! C(o=-14!,f=-22!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= -0.147 (180deg=-0.632) USER MOD Single : A 55 LYS NZ :NH3+ 147:sc= -0.0523 (180deg=-0.515) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0851 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : A 58 ASN : amide:sc= 0.055 X(o=0.055,f=0) USER MOD Single : A 62 SER OG : rot 84:sc= -0.978 USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= -0.534 (180deg=-1.38!) USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= -0.0899 (180deg=-0.498) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.83! K(o=-1.8!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.461 7.150 -3.977 1.00 0.00 N ATOM 2 CA MET A 1 -8.248 7.076 -3.120 1.00 0.00 C ATOM 3 C MET A 1 -7.667 8.463 -2.872 1.00 0.00 C ATOM 4 O MET A 1 -7.729 9.337 -3.736 1.00 0.00 O ATOM 5 CB MET A 1 -7.214 6.185 -3.812 1.00 0.00 C ATOM 6 CG MET A 1 -7.710 4.772 -4.073 1.00 0.00 C ATOM 7 SD MET A 1 -8.820 4.676 -5.489 1.00 0.00 S ATOM 8 CE MET A 1 -9.819 3.259 -5.043 1.00 0.00 C ATOM 0 H1 MET A 1 -9.346 6.520 -4.797 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.293 6.854 -3.427 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.594 8.127 -4.307 1.00 0.00 H new ATOM 0 HA MET A 1 -8.518 6.654 -2.152 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.928 6.642 -4.759 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.316 6.139 -3.196 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.856 4.117 -4.241 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.226 4.403 -3.187 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.556 3.073 -5.824 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.179 2.384 -4.931 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.331 3.457 -4.101 1.00 0.00 H new ATOM 20 N ASP A 2 -7.105 8.659 -1.684 1.00 0.00 N ATOM 21 CA ASP A 2 -6.514 9.940 -1.324 1.00 0.00 C ATOM 22 C ASP A 2 -5.022 9.956 -1.633 1.00 0.00 C ATOM 23 O ASP A 2 -4.226 9.322 -0.943 1.00 0.00 O ATOM 24 CB ASP A 2 -6.742 10.232 0.161 1.00 0.00 C ATOM 25 CG ASP A 2 -7.071 11.690 0.419 1.00 0.00 C ATOM 26 OD1 ASP A 2 -7.256 12.440 -0.561 1.00 0.00 O ATOM 27 OD2 ASP A 2 -7.142 12.081 1.604 1.00 0.00 O ATOM 0 H ASP A 2 -7.047 7.947 -0.956 1.00 0.00 H new ATOM 0 HA ASP A 2 -6.999 10.715 -1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.555 9.608 0.531 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.849 9.959 0.724 1.00 0.00 H new ATOM 32 N SER A 3 -4.646 10.677 -2.681 1.00 0.00 N ATOM 33 CA SER A 3 -3.246 10.779 -3.069 1.00 0.00 C ATOM 34 C SER A 3 -2.404 11.317 -1.914 1.00 0.00 C ATOM 35 O SER A 3 -1.198 11.081 -1.850 1.00 0.00 O ATOM 36 CB SER A 3 -3.100 11.686 -4.292 1.00 0.00 C ATOM 37 OG SER A 3 -1.825 12.302 -4.326 1.00 0.00 O ATOM 0 H SER A 3 -5.289 11.199 -3.276 1.00 0.00 H new ATOM 0 HA SER A 3 -2.888 9.782 -3.323 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.249 11.102 -5.200 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.876 12.451 -4.275 1.00 0.00 H new ATOM 0 HG SER A 3 -1.759 12.874 -5.119 1.00 0.00 H new ATOM 43 N LYS A 4 -3.048 12.053 -1.013 1.00 0.00 N ATOM 44 CA LYS A 4 -2.358 12.650 0.124 1.00 0.00 C ATOM 45 C LYS A 4 -1.873 11.592 1.111 1.00 0.00 C ATOM 46 O LYS A 4 -0.714 11.608 1.523 1.00 0.00 O ATOM 47 CB LYS A 4 -3.281 13.639 0.837 1.00 0.00 C ATOM 48 CG LYS A 4 -3.018 15.090 0.474 1.00 0.00 C ATOM 49 CD LYS A 4 -2.383 15.846 1.630 1.00 0.00 C ATOM 50 CE LYS A 4 -3.432 16.362 2.602 1.00 0.00 C ATOM 51 NZ LYS A 4 -2.826 16.819 3.882 1.00 0.00 N ATOM 0 H LYS A 4 -4.048 12.250 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.483 13.175 -0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.316 13.395 0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.167 13.517 1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.363 15.136 -0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.955 15.572 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.689 15.191 2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.801 16.683 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.977 17.187 2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.158 15.574 2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.574 17.163 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.327 16.026 4.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.152 17.588 3.692 1.00 0.00 H new ATOM 65 N GLU A 5 -2.756 10.671 1.489 1.00 0.00 N ATOM 66 CA GLU A 5 -2.401 9.623 2.443 1.00 0.00 C ATOM 67 C GLU A 5 -1.471 8.605 1.808 1.00 0.00 C ATOM 68 O GLU A 5 -0.428 8.264 2.365 1.00 0.00 O ATOM 69 CB GLU A 5 -3.665 8.942 2.977 1.00 0.00 C ATOM 70 CG GLU A 5 -4.374 8.036 1.998 1.00 0.00 C ATOM 71 CD GLU A 5 -5.760 7.658 2.477 1.00 0.00 C ATOM 72 OE1 GLU A 5 -5.882 6.664 3.223 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.728 8.357 2.107 1.00 0.00 O ATOM 0 H GLU A 5 -3.718 10.629 1.152 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.874 10.083 3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.399 8.359 3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.363 9.713 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.448 8.534 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.783 7.132 1.847 1.00 0.00 H new ATOM 80 N VAL A 6 -1.836 8.163 0.622 1.00 0.00 N ATOM 81 CA VAL A 6 -1.028 7.192 -0.114 1.00 0.00 C ATOM 82 C VAL A 6 0.421 7.655 -0.236 1.00 0.00 C ATOM 83 O VAL A 6 1.341 6.908 0.082 1.00 0.00 O ATOM 84 CB VAL A 6 -1.602 6.933 -1.520 1.00 0.00 C ATOM 85 CG1 VAL A 6 -0.725 5.953 -2.297 1.00 0.00 C ATOM 86 CG2 VAL A 6 -3.027 6.421 -1.405 1.00 0.00 C ATOM 0 H VAL A 6 -2.686 8.456 0.141 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.056 6.263 0.455 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.612 7.871 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.152 5.787 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.279 6.366 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.674 5.006 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.430 6.239 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.035 5.492 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.641 7.164 -0.896 1.00 0.00 H new ATOM 96 N LEU A 7 0.631 8.880 -0.702 1.00 0.00 N ATOM 97 CA LEU A 7 1.989 9.396 -0.836 1.00 0.00 C ATOM 98 C LEU A 7 2.640 9.522 0.538 1.00 0.00 C ATOM 99 O LEU A 7 3.824 9.238 0.700 1.00 0.00 O ATOM 100 CB LEU A 7 2.002 10.735 -1.572 1.00 0.00 C ATOM 101 CG LEU A 7 3.015 10.833 -2.724 1.00 0.00 C ATOM 102 CD1 LEU A 7 2.968 9.591 -3.610 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.762 12.084 -3.549 1.00 0.00 C ATOM 0 H LEU A 7 -0.106 9.525 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 7 2.567 8.690 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.004 10.924 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.215 11.526 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 7 4.012 10.896 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.696 9.691 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.205 8.710 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.970 9.484 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.488 12.138 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.755 12.048 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.861 12.965 -2.914 1.00 0.00 H new ATOM 115 N VAL A 8 1.851 9.901 1.537 1.00 0.00 N ATOM 116 CA VAL A 8 2.350 9.943 2.906 1.00 0.00 C ATOM 117 C VAL A 8 2.763 8.535 3.313 1.00 0.00 C ATOM 118 O VAL A 8 3.813 8.315 3.925 1.00 0.00 O ATOM 119 CB VAL A 8 1.288 10.480 3.889 1.00 0.00 C ATOM 120 CG1 VAL A 8 1.755 10.343 5.331 1.00 0.00 C ATOM 121 CG2 VAL A 8 0.957 11.928 3.569 1.00 0.00 C ATOM 0 H VAL A 8 0.876 10.180 1.428 1.00 0.00 H new ATOM 0 HA VAL A 8 3.202 10.622 2.945 1.00 0.00 H new ATOM 0 HB VAL A 8 0.385 9.881 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.987 10.729 6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.938 9.292 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.676 10.909 5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.207 12.293 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.859 12.535 3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.568 11.996 2.553 1.00 0.00 H new ATOM 131 N HIS A 9 1.938 7.576 2.921 1.00 0.00 N ATOM 132 CA HIS A 9 2.237 6.181 3.160 1.00 0.00 C ATOM 133 C HIS A 9 3.566 5.842 2.502 1.00 0.00 C ATOM 134 O HIS A 9 4.345 5.044 3.021 1.00 0.00 O ATOM 135 CB HIS A 9 1.113 5.290 2.626 1.00 0.00 C ATOM 136 CG HIS A 9 -0.225 5.616 3.214 1.00 0.00 C ATOM 137 ND1 HIS A 9 -0.377 6.202 4.454 1.00 0.00 N ATOM 138 CD2 HIS A 9 -1.477 5.453 2.722 1.00 0.00 C ATOM 139 CE1 HIS A 9 -1.663 6.378 4.701 1.00 0.00 C ATOM 140 NE2 HIS A 9 -2.349 5.934 3.667 1.00 0.00 N ATOM 0 H HIS A 9 1.056 7.743 2.436 1.00 0.00 H new ATOM 0 HA HIS A 9 2.313 6.001 4.232 1.00 0.00 H new ATOM 0 HB2 HIS A 9 1.061 5.391 1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.352 4.248 2.838 1.00 0.00 H new ATOM 0 HD1 HIS A 9 0.385 6.459 5.082 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.740 5.025 1.766 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.081 6.812 5.597 1.00 0.00 H new ATOM 149 N VAL A 10 3.834 6.488 1.365 1.00 0.00 N ATOM 150 CA VAL A 10 5.099 6.299 0.674 1.00 0.00 C ATOM 151 C VAL A 10 6.246 6.831 1.519 1.00 0.00 C ATOM 152 O VAL A 10 7.354 6.324 1.448 1.00 0.00 O ATOM 153 CB VAL A 10 5.147 6.979 -0.708 1.00 0.00 C ATOM 154 CG1 VAL A 10 6.470 6.674 -1.394 1.00 0.00 C ATOM 155 CG2 VAL A 10 3.977 6.536 -1.569 1.00 0.00 C ATOM 0 H VAL A 10 3.194 7.140 0.911 1.00 0.00 H new ATOM 0 HA VAL A 10 5.198 5.225 0.518 1.00 0.00 H new ATOM 0 HB VAL A 10 5.068 8.057 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.494 7.159 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.291 7.048 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.574 5.596 -1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.032 7.029 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.016 5.456 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.042 6.805 -1.078 1.00 0.00 H new ATOM 165 N LYS A 11 5.985 7.886 2.290 1.00 0.00 N ATOM 166 CA LYS A 11 7.009 8.437 3.172 1.00 0.00 C ATOM 167 C LYS A 11 7.508 7.344 4.105 1.00 0.00 C ATOM 168 O LYS A 11 8.711 7.128 4.250 1.00 0.00 O ATOM 169 CB LYS A 11 6.456 9.610 3.982 1.00 0.00 C ATOM 170 CG LYS A 11 7.183 10.920 3.727 1.00 0.00 C ATOM 171 CD LYS A 11 6.519 12.077 4.456 1.00 0.00 C ATOM 172 CE LYS A 11 6.927 12.121 5.920 1.00 0.00 C ATOM 173 NZ LYS A 11 5.844 12.665 6.783 1.00 0.00 N ATOM 0 H LYS A 11 5.087 8.369 2.321 1.00 0.00 H new ATOM 0 HA LYS A 11 7.836 8.807 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.400 9.738 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.519 9.370 5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.220 10.831 4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.201 11.125 2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.790 13.016 3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.436 11.981 4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.187 11.117 6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.821 12.735 6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.162 12.678 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.613 13.633 6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.999 12.065 6.699 1.00 0.00 H new ATOM 187 N ASN A 12 6.567 6.619 4.696 1.00 0.00 N ATOM 188 CA ASN A 12 6.901 5.486 5.542 1.00 0.00 C ATOM 189 C ASN A 12 7.569 4.412 4.702 1.00 0.00 C ATOM 190 O ASN A 12 8.627 3.889 5.053 1.00 0.00 O ATOM 191 CB ASN A 12 5.633 4.933 6.188 1.00 0.00 C ATOM 192 CG ASN A 12 4.683 6.026 6.640 1.00 0.00 C ATOM 193 OD1 ASN A 12 5.111 7.107 7.045 1.00 0.00 O ATOM 194 ND2 ASN A 12 3.386 5.748 6.571 1.00 0.00 N ATOM 0 H ASN A 12 5.567 6.797 4.604 1.00 0.00 H new ATOM 0 HA ASN A 12 7.585 5.806 6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.122 4.283 5.478 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.905 4.317 7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.699 6.444 6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.077 4.838 6.229 1.00 0.00 H new ATOM 201 N LEU A 13 6.954 4.130 3.565 1.00 0.00 N ATOM 202 CA LEU A 13 7.489 3.186 2.597 1.00 0.00 C ATOM 203 C LEU A 13 8.944 3.546 2.283 1.00 0.00 C ATOM 204 O LEU A 13 9.818 2.683 2.235 1.00 0.00 O ATOM 205 CB LEU A 13 6.610 3.260 1.338 1.00 0.00 C ATOM 206 CG LEU A 13 6.779 2.154 0.289 1.00 0.00 C ATOM 207 CD1 LEU A 13 6.196 2.589 -1.048 1.00 0.00 C ATOM 208 CD2 LEU A 13 8.228 1.818 0.107 1.00 0.00 C ATOM 0 H LEU A 13 6.067 4.550 3.286 1.00 0.00 H new ATOM 0 HA LEU A 13 7.478 2.169 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.567 3.265 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.800 4.217 0.851 1.00 0.00 H new ATOM 0 HG LEU A 13 6.246 1.273 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.326 1.791 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.134 2.803 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.710 3.485 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.328 1.031 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.768 2.705 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.643 1.473 1.054 1.00 0.00 H new ATOM 220 N GLU A 14 9.184 4.844 2.119 1.00 0.00 N ATOM 221 CA GLU A 14 10.506 5.378 1.821 1.00 0.00 C ATOM 222 C GLU A 14 11.532 4.922 2.846 1.00 0.00 C ATOM 223 O GLU A 14 12.618 4.465 2.493 1.00 0.00 O ATOM 224 CB GLU A 14 10.437 6.904 1.789 1.00 0.00 C ATOM 225 CG GLU A 14 10.477 7.483 0.388 1.00 0.00 C ATOM 226 CD GLU A 14 10.078 8.945 0.348 1.00 0.00 C ATOM 227 OE1 GLU A 14 10.738 9.760 1.026 1.00 0.00 O ATOM 228 OE2 GLU A 14 9.103 9.275 -0.360 1.00 0.00 O ATOM 0 H GLU A 14 8.460 5.559 2.190 1.00 0.00 H new ATOM 0 HA GLU A 14 10.821 5.001 0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.520 7.229 2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.269 7.309 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.483 7.374 -0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.810 6.911 -0.257 1.00 0.00 H new ATOM 235 N LYS A 15 11.185 5.054 4.114 1.00 0.00 N ATOM 236 CA LYS A 15 12.077 4.652 5.186 1.00 0.00 C ATOM 237 C LYS A 15 12.409 3.166 5.083 1.00 0.00 C ATOM 238 O LYS A 15 13.542 2.748 5.324 1.00 0.00 O ATOM 239 CB LYS A 15 11.430 4.950 6.537 1.00 0.00 C ATOM 240 CG LYS A 15 12.053 6.130 7.266 1.00 0.00 C ATOM 241 CD LYS A 15 11.188 6.579 8.433 1.00 0.00 C ATOM 242 CE LYS A 15 11.324 8.071 8.686 1.00 0.00 C ATOM 243 NZ LYS A 15 10.440 8.530 9.793 1.00 0.00 N ATOM 0 H LYS A 15 10.292 5.436 4.426 1.00 0.00 H new ATOM 0 HA LYS A 15 13.004 5.219 5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.369 5.147 6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.503 4.064 7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.043 5.854 7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.188 6.959 6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.145 6.337 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.472 6.029 9.330 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.361 8.305 8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.079 8.617 7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.563 9.553 9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.448 8.330 9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.691 8.028 10.668 1.00 0.00 H new ATOM 257 N ASN A 16 11.409 2.379 4.705 1.00 0.00 N ATOM 258 CA ASN A 16 11.563 0.932 4.571 1.00 0.00 C ATOM 259 C ASN A 16 12.120 0.537 3.199 1.00 0.00 C ATOM 260 O ASN A 16 12.560 -0.594 3.006 1.00 0.00 O ATOM 261 CB ASN A 16 10.210 0.247 4.784 1.00 0.00 C ATOM 262 CG ASN A 16 9.737 0.334 6.222 1.00 0.00 C ATOM 263 OD1 ASN A 16 9.953 1.339 6.899 1.00 0.00 O ATOM 264 ND2 ASN A 16 9.089 -0.723 6.695 1.00 0.00 N ATOM 0 H ASN A 16 10.474 2.721 4.484 1.00 0.00 H new ATOM 0 HA ASN A 16 12.276 0.607 5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.467 0.706 4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.286 -0.800 4.492 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.747 -0.724 7.656 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.933 -1.535 6.097 1.00 0.00 H new ATOM 271 N LYS A 17 12.028 1.455 2.241 1.00 0.00 N ATOM 272 CA LYS A 17 12.399 1.187 0.853 1.00 0.00 C ATOM 273 C LYS A 17 13.734 0.479 0.664 1.00 0.00 C ATOM 274 O LYS A 17 14.708 1.093 0.224 1.00 0.00 O ATOM 275 CB LYS A 17 12.444 2.486 0.053 1.00 0.00 C ATOM 276 CG LYS A 17 11.102 2.911 -0.510 1.00 0.00 C ATOM 277 CD LYS A 17 11.225 3.948 -1.629 1.00 0.00 C ATOM 278 CE LYS A 17 12.317 4.981 -1.363 1.00 0.00 C ATOM 279 NZ LYS A 17 12.553 5.854 -2.546 1.00 0.00 N ATOM 0 H LYS A 17 11.695 2.405 2.404 1.00 0.00 H new ATOM 0 HA LYS A 17 11.624 0.510 0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.826 3.281 0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.151 2.370 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.580 2.034 -0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.491 3.322 0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.435 3.438 -2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.270 4.459 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.035 5.596 -0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.243 4.471 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.301 6.542 -2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.846 5.270 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.676 6.360 -2.784 1.00 0.00 H new ATOM 293 N SER A 18 13.732 -0.836 0.803 1.00 0.00 N ATOM 294 CA SER A 18 14.874 -1.625 0.396 1.00 0.00 C ATOM 295 C SER A 18 14.911 -1.590 -1.132 1.00 0.00 C ATOM 296 O SER A 18 15.971 -1.499 -1.749 1.00 0.00 O ATOM 297 CB SER A 18 14.755 -3.065 0.897 1.00 0.00 C ATOM 298 OG SER A 18 15.794 -3.376 1.808 1.00 0.00 O ATOM 0 H SER A 18 12.957 -1.373 1.192 1.00 0.00 H new ATOM 0 HA SER A 18 15.792 -1.219 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.789 -3.206 1.381 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.791 -3.752 0.051 1.00 0.00 H new ATOM 0 HG SER A 18 15.694 -4.301 2.115 1.00 0.00 H new ATOM 304 N ASN A 19 13.706 -1.569 -1.713 1.00 0.00 N ATOM 305 CA ASN A 19 13.509 -1.416 -3.148 1.00 0.00 C ATOM 306 C ASN A 19 12.971 -0.018 -3.415 1.00 0.00 C ATOM 307 O ASN A 19 11.948 0.357 -2.857 1.00 0.00 O ATOM 308 CB ASN A 19 12.501 -2.447 -3.653 1.00 0.00 C ATOM 309 CG ASN A 19 13.084 -3.358 -4.715 1.00 0.00 C ATOM 310 OD1 ASN A 19 12.712 -3.285 -5.886 1.00 0.00 O ATOM 311 ND2 ASN A 19 14.006 -4.223 -4.307 1.00 0.00 N ATOM 0 H ASN A 19 12.835 -1.659 -1.190 1.00 0.00 H new ATOM 0 HA ASN A 19 14.457 -1.566 -3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 19 12.151 -3.049 -2.814 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.631 -1.931 -4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.437 -4.862 -4.975 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.283 -4.248 -3.326 1.00 0.00 H new ATOM 318 N ASP A 20 13.720 0.805 -4.123 1.00 0.00 N ATOM 319 CA ASP A 20 13.283 2.172 -4.354 1.00 0.00 C ATOM 320 C ASP A 20 12.149 2.288 -5.376 1.00 0.00 C ATOM 321 O ASP A 20 11.059 2.771 -5.064 1.00 0.00 O ATOM 322 CB ASP A 20 14.462 3.026 -4.820 1.00 0.00 C ATOM 323 CG ASP A 20 15.687 2.848 -3.946 1.00 0.00 C ATOM 324 OD1 ASP A 20 16.049 1.688 -3.658 1.00 0.00 O ATOM 325 OD2 ASP A 20 16.287 3.870 -3.548 1.00 0.00 O ATOM 0 H ASP A 20 14.617 0.560 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 20 12.895 2.531 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.712 2.765 -5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.169 4.076 -4.820 1.00 0.00 H new ATOM 330 N ALA A 21 12.434 1.877 -6.607 1.00 0.00 N ATOM 331 CA ALA A 21 11.513 2.069 -7.726 1.00 0.00 C ATOM 332 C ALA A 21 10.264 1.187 -7.700 1.00 0.00 C ATOM 333 O ALA A 21 9.159 1.681 -7.931 1.00 0.00 O ATOM 334 CB ALA A 21 12.257 1.888 -9.036 1.00 0.00 C ATOM 0 H ALA A 21 13.302 1.405 -6.858 1.00 0.00 H new ATOM 0 HA ALA A 21 11.139 3.088 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.568 2.032 -9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.062 2.620 -9.101 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.676 0.883 -9.081 1.00 0.00 H new ATOM 340 N ALA A 22 10.424 -0.115 -7.486 1.00 0.00 N ATOM 341 CA ALA A 22 9.283 -1.027 -7.573 1.00 0.00 C ATOM 342 C ALA A 22 8.136 -0.566 -6.690 1.00 0.00 C ATOM 343 O ALA A 22 7.073 -0.218 -7.181 1.00 0.00 O ATOM 344 CB ALA A 22 9.701 -2.438 -7.194 1.00 0.00 C ATOM 0 H ALA A 22 11.313 -0.558 -7.255 1.00 0.00 H new ATOM 0 HA ALA A 22 8.935 -1.025 -8.606 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.841 -3.104 -7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.481 -2.781 -7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.081 -2.443 -6.172 1.00 0.00 H new ATOM 350 N VAL A 23 8.392 -0.461 -5.407 1.00 0.00 N ATOM 351 CA VAL A 23 7.384 0.008 -4.468 1.00 0.00 C ATOM 352 C VAL A 23 6.991 1.443 -4.786 1.00 0.00 C ATOM 353 O VAL A 23 5.824 1.812 -4.699 1.00 0.00 O ATOM 354 CB VAL A 23 7.920 -0.071 -3.034 1.00 0.00 C ATOM 355 CG1 VAL A 23 7.978 -1.522 -2.597 1.00 0.00 C ATOM 356 CG2 VAL A 23 9.300 0.565 -2.974 1.00 0.00 C ATOM 0 H VAL A 23 9.290 -0.693 -4.983 1.00 0.00 H new ATOM 0 HA VAL A 23 6.505 -0.630 -4.559 1.00 0.00 H new ATOM 0 HB VAL A 23 7.258 0.470 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.359 -1.580 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.978 -1.954 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.639 -2.077 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.682 0.509 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.975 0.033 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.233 1.609 -3.280 1.00 0.00 H new ATOM 366 N LEU A 24 7.975 2.240 -5.184 1.00 0.00 N ATOM 367 CA LEU A 24 7.732 3.627 -5.544 1.00 0.00 C ATOM 368 C LEU A 24 6.687 3.716 -6.646 1.00 0.00 C ATOM 369 O LEU A 24 5.690 4.426 -6.519 1.00 0.00 O ATOM 370 CB LEU A 24 9.038 4.264 -6.019 1.00 0.00 C ATOM 371 CG LEU A 24 8.894 5.591 -6.775 1.00 0.00 C ATOM 372 CD1 LEU A 24 9.473 6.730 -5.958 1.00 0.00 C ATOM 373 CD2 LEU A 24 9.571 5.510 -8.136 1.00 0.00 C ATOM 0 H LEU A 24 8.949 1.947 -5.265 1.00 0.00 H new ATOM 0 HA LEU A 24 7.360 4.160 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.677 4.429 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.554 3.553 -6.665 1.00 0.00 H new ATOM 0 HG LEU A 24 7.833 5.784 -6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.363 7.665 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.943 6.803 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.530 6.542 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.457 6.461 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.631 5.294 -8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.110 4.717 -8.725 1.00 0.00 H new ATOM 385 N GLU A 25 6.933 2.998 -7.733 1.00 0.00 N ATOM 386 CA GLU A 25 6.018 2.989 -8.861 1.00 0.00 C ATOM 387 C GLU A 25 4.798 2.149 -8.538 1.00 0.00 C ATOM 388 O GLU A 25 3.670 2.518 -8.858 1.00 0.00 O ATOM 389 CB GLU A 25 6.720 2.440 -10.102 1.00 0.00 C ATOM 390 CG GLU A 25 7.172 3.522 -11.062 1.00 0.00 C ATOM 391 CD GLU A 25 6.595 3.350 -12.453 1.00 0.00 C ATOM 392 OE1 GLU A 25 5.489 2.780 -12.569 1.00 0.00 O ATOM 393 OE2 GLU A 25 7.247 3.783 -13.426 1.00 0.00 O ATOM 0 H GLU A 25 7.760 2.414 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 25 5.697 4.011 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.585 1.854 -9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.045 1.761 -10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.879 4.496 -10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.260 3.517 -11.122 1.00 0.00 H new ATOM 400 N ILE A 26 5.038 1.025 -7.879 1.00 0.00 N ATOM 401 CA ILE A 26 3.959 0.135 -7.481 1.00 0.00 C ATOM 402 C ILE A 26 2.954 0.889 -6.620 1.00 0.00 C ATOM 403 O ILE A 26 1.765 0.918 -6.937 1.00 0.00 O ATOM 404 CB ILE A 26 4.489 -1.129 -6.741 1.00 0.00 C ATOM 405 CG1 ILE A 26 5.149 -2.090 -7.737 1.00 0.00 C ATOM 406 CG2 ILE A 26 3.377 -1.861 -6.004 1.00 0.00 C ATOM 407 CD1 ILE A 26 5.849 -3.257 -7.073 1.00 0.00 C ATOM 0 H ILE A 26 5.969 0.708 -7.609 1.00 0.00 H new ATOM 0 HA ILE A 26 3.461 -0.214 -8.386 1.00 0.00 H new ATOM 0 HB ILE A 26 5.222 -0.790 -6.009 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.390 -2.472 -8.420 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.871 -1.538 -8.339 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.788 -2.736 -5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.930 -1.195 -5.266 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.615 -2.177 -6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.294 -3.896 -7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.631 -2.884 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.127 -3.832 -6.493 1.00 0.00 H new ATOM 419 N LEU A 27 3.427 1.541 -5.565 1.00 0.00 N ATOM 420 CA LEU A 27 2.519 2.267 -4.694 1.00 0.00 C ATOM 421 C LEU A 27 1.855 3.424 -5.440 1.00 0.00 C ATOM 422 O LEU A 27 0.668 3.700 -5.252 1.00 0.00 O ATOM 423 CB LEU A 27 3.211 2.792 -3.434 1.00 0.00 C ATOM 424 CG LEU A 27 2.519 2.433 -2.109 1.00 0.00 C ATOM 425 CD1 LEU A 27 2.904 3.416 -1.023 1.00 0.00 C ATOM 426 CD2 LEU A 27 1.001 2.401 -2.258 1.00 0.00 C ATOM 0 H LEU A 27 4.411 1.581 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 27 1.756 1.555 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.230 2.404 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.284 3.877 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 27 2.856 1.435 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.404 3.145 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.984 3.391 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.602 4.421 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.547 2.144 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.646 3.381 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.724 1.655 -3.003 1.00 0.00 H new ATOM 438 N HIS A 28 2.626 4.105 -6.284 1.00 0.00 N ATOM 439 CA HIS A 28 2.098 5.223 -7.055 1.00 0.00 C ATOM 440 C HIS A 28 0.914 4.770 -7.907 1.00 0.00 C ATOM 441 O HIS A 28 -0.174 5.338 -7.824 1.00 0.00 O ATOM 442 CB HIS A 28 3.188 5.818 -7.950 1.00 0.00 C ATOM 443 CG HIS A 28 3.074 7.300 -8.130 1.00 0.00 C ATOM 444 ND1 HIS A 28 4.104 8.174 -7.853 1.00 0.00 N ATOM 445 CD2 HIS A 28 2.043 8.065 -8.563 1.00 0.00 C ATOM 446 CE1 HIS A 28 3.713 9.410 -8.106 1.00 0.00 C ATOM 447 NE2 HIS A 28 2.466 9.370 -8.537 1.00 0.00 N ATOM 0 H HIS A 28 3.612 3.903 -6.450 1.00 0.00 H new ATOM 0 HA HIS A 28 1.758 5.990 -6.359 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.164 5.586 -7.523 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.146 5.338 -8.927 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.070 7.713 -8.871 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.311 10.301 -7.982 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.907 10.179 -8.807 1.00 0.00 H new ATOM 456 N VAL A 29 1.131 3.736 -8.722 1.00 0.00 N ATOM 457 CA VAL A 29 0.063 3.183 -9.549 1.00 0.00 C ATOM 458 C VAL A 29 -1.018 2.596 -8.659 1.00 0.00 C ATOM 459 O VAL A 29 -2.206 2.641 -8.977 1.00 0.00 O ATOM 460 CB VAL A 29 0.567 2.088 -10.501 1.00 0.00 C ATOM 461 CG1 VAL A 29 -0.379 1.936 -11.684 1.00 0.00 C ATOM 462 CG2 VAL A 29 1.985 2.368 -10.973 1.00 0.00 C ATOM 0 H VAL A 29 2.032 3.269 -8.825 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.331 4.000 -10.153 1.00 0.00 H new ATOM 0 HB VAL A 29 0.587 1.148 -9.949 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.008 1.156 -12.349 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.371 1.664 -11.324 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.437 2.879 -12.227 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.309 1.573 -11.645 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.011 3.322 -11.500 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.653 2.411 -10.113 1.00 0.00 H new ATOM 472 N LEU A 30 -0.583 2.059 -7.525 1.00 0.00 N ATOM 473 CA LEU A 30 -1.484 1.489 -6.536 1.00 0.00 C ATOM 474 C LEU A 30 -2.611 2.467 -6.232 1.00 0.00 C ATOM 475 O LEU A 30 -3.759 2.067 -6.042 1.00 0.00 O ATOM 476 CB LEU A 30 -0.690 1.210 -5.253 1.00 0.00 C ATOM 477 CG LEU A 30 -0.579 -0.249 -4.783 1.00 0.00 C ATOM 478 CD1 LEU A 30 -1.806 -1.053 -5.169 1.00 0.00 C ATOM 479 CD2 LEU A 30 0.687 -0.896 -5.328 1.00 0.00 C ATOM 0 H LEU A 30 0.403 2.007 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.914 0.565 -6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.320 1.594 -5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.142 1.788 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.520 -0.242 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.693 -2.080 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.690 -0.610 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.918 -1.048 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.746 -1.928 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.665 -0.878 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.558 -0.345 -4.974 1.00 0.00 H new ATOM 491 N ASP A 31 -2.277 3.756 -6.289 1.00 0.00 N ATOM 492 CA ASP A 31 -3.225 4.822 -5.983 1.00 0.00 C ATOM 493 C ASP A 31 -4.529 4.641 -6.748 1.00 0.00 C ATOM 494 O ASP A 31 -5.605 4.941 -6.233 1.00 0.00 O ATOM 495 CB ASP A 31 -2.615 6.174 -6.340 1.00 0.00 C ATOM 496 CG ASP A 31 -3.067 7.279 -5.407 1.00 0.00 C ATOM 497 OD1 ASP A 31 -3.663 6.961 -4.356 1.00 0.00 O ATOM 498 OD2 ASP A 31 -2.825 8.462 -5.726 1.00 0.00 O ATOM 0 H ASP A 31 -1.347 4.087 -6.547 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.443 4.781 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.528 6.098 -6.309 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.887 6.433 -7.363 1.00 0.00 H new ATOM 503 N LYS A 32 -4.432 4.144 -7.974 1.00 0.00 N ATOM 504 CA LYS A 32 -5.614 3.911 -8.787 1.00 0.00 C ATOM 505 C LYS A 32 -6.564 2.963 -8.061 1.00 0.00 C ATOM 506 O LYS A 32 -7.691 3.329 -7.731 1.00 0.00 O ATOM 507 CB LYS A 32 -5.195 3.328 -10.141 1.00 0.00 C ATOM 508 CG LYS A 32 -6.343 2.794 -10.981 1.00 0.00 C ATOM 509 CD LYS A 32 -5.919 1.572 -11.777 1.00 0.00 C ATOM 510 CE LYS A 32 -6.420 0.291 -11.132 1.00 0.00 C ATOM 511 NZ LYS A 32 -7.172 -0.561 -12.095 1.00 0.00 N ATOM 0 H LYS A 32 -3.551 3.896 -8.424 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.134 4.854 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.675 4.099 -10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.481 2.522 -9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.182 2.537 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.692 3.571 -11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.306 1.645 -12.793 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.832 1.543 -11.851 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.574 -0.270 -10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.063 0.538 -10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.720 -1.274 -11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.819 0.033 -12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.503 -1.037 -12.733 1.00 0.00 H new ATOM 525 N GLU A 33 -6.093 1.748 -7.810 1.00 0.00 N ATOM 526 CA GLU A 33 -6.873 0.755 -7.080 1.00 0.00 C ATOM 527 C GLU A 33 -6.332 0.580 -5.665 1.00 0.00 C ATOM 528 O GLU A 33 -6.160 -0.545 -5.194 1.00 0.00 O ATOM 529 CB GLU A 33 -6.846 -0.580 -7.816 1.00 0.00 C ATOM 530 CG GLU A 33 -8.224 -1.191 -8.021 1.00 0.00 C ATOM 531 CD GLU A 33 -8.853 -0.790 -9.341 1.00 0.00 C ATOM 532 OE1 GLU A 33 -9.508 0.272 -9.388 1.00 0.00 O ATOM 533 OE2 GLU A 33 -8.695 -1.541 -10.326 1.00 0.00 O ATOM 0 H GLU A 33 -5.171 1.425 -8.102 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.903 1.106 -7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.372 -0.440 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.227 -1.281 -7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.145 -2.277 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.878 -0.885 -7.204 1.00 0.00 H new ATOM 540 N PHE A 34 -6.029 1.690 -4.998 1.00 0.00 N ATOM 541 CA PHE A 34 -5.432 1.630 -3.673 1.00 0.00 C ATOM 542 C PHE A 34 -6.461 1.439 -2.559 1.00 0.00 C ATOM 543 O PHE A 34 -7.673 1.518 -2.764 1.00 0.00 O ATOM 544 CB PHE A 34 -4.557 2.851 -3.390 1.00 0.00 C ATOM 545 CG PHE A 34 -3.429 2.532 -2.442 1.00 0.00 C ATOM 546 CD1 PHE A 34 -2.669 1.387 -2.621 1.00 0.00 C ATOM 547 CD2 PHE A 34 -3.187 3.315 -1.326 1.00 0.00 C ATOM 548 CE1 PHE A 34 -1.666 1.057 -1.733 1.00 0.00 C ATOM 549 CE2 PHE A 34 -2.190 2.987 -0.430 1.00 0.00 C ATOM 550 CZ PHE A 34 -1.428 1.857 -0.633 1.00 0.00 C ATOM 0 H PHE A 34 -6.186 2.634 -5.352 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.798 0.743 -3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.147 3.228 -4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.171 3.647 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.864 0.745 -3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.788 4.196 -1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.067 0.173 -1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.007 3.615 0.429 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.647 1.598 0.066 1.00 0.00 H new ATOM 560 N VAL A 35 -5.917 1.168 -1.379 1.00 0.00 N ATOM 561 CA VAL A 35 -6.657 0.831 -0.170 1.00 0.00 C ATOM 562 C VAL A 35 -7.229 2.016 0.668 1.00 0.00 C ATOM 563 O VAL A 35 -7.784 1.769 1.735 1.00 0.00 O ATOM 564 CB VAL A 35 -5.668 0.041 0.718 1.00 0.00 C ATOM 565 CG1 VAL A 35 -4.553 0.956 1.185 1.00 0.00 C ATOM 566 CG2 VAL A 35 -6.336 -0.660 1.884 1.00 0.00 C ATOM 0 H VAL A 35 -4.908 1.177 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.545 0.285 -0.490 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.247 -0.755 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.859 0.394 1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.022 1.353 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.975 1.779 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.585 -1.195 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.828 0.077 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.075 -1.367 1.508 1.00 0.00 H new ATOM 576 N PRO A 36 -7.121 3.305 0.260 1.00 0.00 N ATOM 577 CA PRO A 36 -7.618 4.415 1.074 1.00 0.00 C ATOM 578 C PRO A 36 -9.047 4.837 0.763 1.00 0.00 C ATOM 579 O PRO A 36 -9.267 5.822 0.059 1.00 0.00 O ATOM 580 CB PRO A 36 -6.665 5.538 0.708 1.00 0.00 C ATOM 581 CG PRO A 36 -6.296 5.282 -0.712 1.00 0.00 C ATOM 582 CD PRO A 36 -6.483 3.806 -0.959 1.00 0.00 C ATOM 0 HA PRO A 36 -7.648 4.143 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.140 6.512 0.823 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.785 5.535 1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.923 5.868 -1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.264 5.577 -0.901 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.106 3.627 -1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.529 3.310 -1.140 1.00 0.00 H new ATOM 590 N THR A 37 -10.016 4.147 1.350 1.00 0.00 N ATOM 591 CA THR A 37 -11.410 4.545 1.201 1.00 0.00 C ATOM 592 C THR A 37 -12.023 4.769 2.581 1.00 0.00 C ATOM 593 O THR A 37 -11.322 4.678 3.589 1.00 0.00 O ATOM 594 CB THR A 37 -12.219 3.526 0.387 1.00 0.00 C ATOM 595 OG1 THR A 37 -12.947 2.659 1.238 1.00 0.00 O ATOM 596 CG2 THR A 37 -11.375 2.682 -0.549 1.00 0.00 C ATOM 0 H THR A 37 -9.866 3.319 1.927 1.00 0.00 H new ATOM 0 HA THR A 37 -11.443 5.478 0.639 1.00 0.00 H new ATOM 0 HB THR A 37 -12.895 4.125 -0.223 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.456 2.020 0.696 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.017 1.986 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.862 3.330 -1.260 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.639 2.123 0.029 1.00 0.00 H new ATOM 604 N GLU A 38 -13.315 5.076 2.639 1.00 0.00 N ATOM 605 CA GLU A 38 -13.959 5.342 3.924 1.00 0.00 C ATOM 606 C GLU A 38 -13.653 4.231 4.926 1.00 0.00 C ATOM 607 O GLU A 38 -13.042 4.471 5.967 1.00 0.00 O ATOM 608 CB GLU A 38 -15.472 5.473 3.742 1.00 0.00 C ATOM 609 CG GLU A 38 -16.205 5.877 5.010 1.00 0.00 C ATOM 610 CD GLU A 38 -17.384 4.973 5.316 1.00 0.00 C ATOM 611 OE1 GLU A 38 -17.837 4.258 4.397 1.00 0.00 O ATOM 612 OE2 GLU A 38 -17.852 4.980 6.474 1.00 0.00 O ATOM 0 H GLU A 38 -13.929 5.146 1.828 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.563 6.280 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.673 6.211 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.871 4.522 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.510 5.857 5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.556 6.904 4.911 1.00 0.00 H new ATOM 619 N LYS A 39 -14.049 3.011 4.586 1.00 0.00 N ATOM 620 CA LYS A 39 -13.763 1.849 5.418 1.00 0.00 C ATOM 621 C LYS A 39 -12.339 1.356 5.181 1.00 0.00 C ATOM 622 O LYS A 39 -11.578 1.115 6.118 1.00 0.00 O ATOM 623 CB LYS A 39 -14.760 0.728 5.126 1.00 0.00 C ATOM 624 CG LYS A 39 -16.175 1.037 5.587 1.00 0.00 C ATOM 625 CD LYS A 39 -16.977 -0.234 5.816 1.00 0.00 C ATOM 626 CE LYS A 39 -16.433 -1.034 6.988 1.00 0.00 C ATOM 627 NZ LYS A 39 -15.792 -2.303 6.544 1.00 0.00 N ATOM 0 H LYS A 39 -14.572 2.800 3.736 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.860 2.144 6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.771 0.533 4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.419 -0.186 5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.140 1.617 6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.675 1.654 4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -18.020 0.022 6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.955 -0.847 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.706 -0.431 7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.244 -1.260 7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.090 -2.603 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.517 -3.041 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.320 -2.152 5.629 1.00 0.00 H new ATOM 641 N LEU A 40 -12.011 1.188 3.906 1.00 0.00 N ATOM 642 CA LEU A 40 -10.713 0.679 3.477 1.00 0.00 C ATOM 643 C LEU A 40 -9.543 1.482 4.048 1.00 0.00 C ATOM 644 O LEU A 40 -8.438 0.958 4.178 1.00 0.00 O ATOM 645 CB LEU A 40 -10.658 0.701 1.946 1.00 0.00 C ATOM 646 CG LEU A 40 -10.395 -0.637 1.256 1.00 0.00 C ATOM 647 CD1 LEU A 40 -9.899 -0.402 -0.163 1.00 0.00 C ATOM 648 CD2 LEU A 40 -9.393 -1.452 2.040 1.00 0.00 C ATOM 0 H LEU A 40 -12.643 1.403 3.134 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.611 -0.338 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.604 1.096 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.880 1.401 1.642 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.329 -1.198 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.714 -1.361 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.653 0.149 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.974 0.174 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.219 -2.401 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.455 -0.902 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.781 -1.642 3.041 1.00 0.00 H new ATOM 660 N LEU A 41 -9.766 2.757 4.358 1.00 0.00 N ATOM 661 CA LEU A 41 -8.697 3.596 4.898 1.00 0.00 C ATOM 662 C LEU A 41 -8.013 2.900 6.071 1.00 0.00 C ATOM 663 O LEU A 41 -6.793 2.754 6.084 1.00 0.00 O ATOM 664 CB LEU A 41 -9.241 4.957 5.322 1.00 0.00 C ATOM 665 CG LEU A 41 -8.291 5.804 6.173 1.00 0.00 C ATOM 666 CD1 LEU A 41 -8.348 5.354 7.622 1.00 0.00 C ATOM 667 CD2 LEU A 41 -6.868 5.722 5.638 1.00 0.00 C ATOM 0 H LEU A 41 -10.664 3.228 4.247 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.957 3.756 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.501 5.521 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.164 4.803 5.881 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.610 6.845 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.669 5.963 8.219 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.364 5.469 7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.052 4.307 7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.211 6.331 6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.530 4.686 5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.843 6.090 4.612 1.00 0.00 H new ATOM 679 N ARG A 42 -8.796 2.394 7.015 1.00 0.00 N ATOM 680 CA ARG A 42 -8.223 1.626 8.116 1.00 0.00 C ATOM 681 C ARG A 42 -7.419 0.465 7.537 1.00 0.00 C ATOM 682 O ARG A 42 -6.322 0.129 8.005 1.00 0.00 O ATOM 683 CB ARG A 42 -9.317 1.107 9.053 1.00 0.00 C ATOM 684 CG ARG A 42 -10.124 -0.046 8.479 1.00 0.00 C ATOM 685 CD ARG A 42 -11.539 -0.067 9.030 1.00 0.00 C ATOM 686 NE ARG A 42 -11.671 -0.978 10.163 1.00 0.00 N ATOM 687 CZ ARG A 42 -11.672 -2.303 10.045 1.00 0.00 C ATOM 688 NH1 ARG A 42 -11.548 -2.863 8.850 1.00 0.00 N ATOM 689 NH2 ARG A 42 -11.796 -3.066 11.123 1.00 0.00 N ATOM 0 H ARG A 42 -9.810 2.497 7.043 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.570 2.271 8.703 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.858 0.786 9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.994 1.927 9.294 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.157 0.038 7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.629 -0.989 8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.823 0.939 9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.231 -0.366 8.242 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.768 -0.577 11.096 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.452 -2.278 8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.549 -3.879 8.760 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.891 -2.637 12.043 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.797 -4.082 11.031 1.00 0.00 H new ATOM 703 N GLU A 43 -7.943 -0.105 6.462 1.00 0.00 N ATOM 704 CA GLU A 43 -7.244 -1.153 5.762 1.00 0.00 C ATOM 705 C GLU A 43 -5.943 -0.592 5.212 1.00 0.00 C ATOM 706 O GLU A 43 -4.929 -1.272 5.187 1.00 0.00 O ATOM 707 CB GLU A 43 -8.099 -1.723 4.645 1.00 0.00 C ATOM 708 CG GLU A 43 -8.527 -3.155 4.896 1.00 0.00 C ATOM 709 CD GLU A 43 -7.797 -4.149 4.015 1.00 0.00 C ATOM 710 OE1 GLU A 43 -6.564 -4.011 3.862 1.00 0.00 O ATOM 711 OE2 GLU A 43 -8.455 -5.063 3.477 1.00 0.00 O ATOM 0 H GLU A 43 -8.848 0.145 6.062 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.027 -1.967 6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.986 -1.101 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.543 -1.675 3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.349 -3.405 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.600 -3.244 4.725 1.00 0.00 H new ATOM 718 N THR A 44 -5.966 0.685 4.836 1.00 0.00 N ATOM 719 CA THR A 44 -4.755 1.353 4.388 1.00 0.00 C ATOM 720 C THR A 44 -3.731 1.305 5.504 1.00 0.00 C ATOM 721 O THR A 44 -2.527 1.244 5.257 1.00 0.00 O ATOM 722 CB THR A 44 -5.028 2.806 3.963 1.00 0.00 C ATOM 723 OG1 THR A 44 -6.195 2.898 3.161 1.00 0.00 O ATOM 724 CG2 THR A 44 -3.887 3.422 3.176 1.00 0.00 C ATOM 0 H THR A 44 -6.802 1.269 4.834 1.00 0.00 H new ATOM 0 HA THR A 44 -4.372 0.834 3.509 1.00 0.00 H new ATOM 0 HB THR A 44 -5.152 3.354 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.547 1.999 2.991 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.142 4.447 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.983 3.421 3.785 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.714 2.841 2.270 1.00 0.00 H new ATOM 732 N LYS A 45 -4.223 1.253 6.738 1.00 0.00 N ATOM 733 CA LYS A 45 -3.351 1.089 7.881 1.00 0.00 C ATOM 734 C LYS A 45 -2.605 -0.229 7.740 1.00 0.00 C ATOM 735 O LYS A 45 -1.375 -0.280 7.852 1.00 0.00 O ATOM 736 CB LYS A 45 -4.155 1.109 9.183 1.00 0.00 C ATOM 737 CG LYS A 45 -3.398 1.707 10.356 1.00 0.00 C ATOM 738 CD LYS A 45 -4.192 1.595 11.648 1.00 0.00 C ATOM 739 CE LYS A 45 -5.321 2.611 11.698 1.00 0.00 C ATOM 740 NZ LYS A 45 -6.653 1.958 11.831 1.00 0.00 N ATOM 0 H LYS A 45 -5.215 1.322 6.965 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.640 1.914 7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.072 1.677 9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.450 0.090 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.441 1.197 10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.179 2.755 10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.602 0.589 11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.528 1.746 12.499 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.163 3.287 12.538 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.303 3.218 10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.395 2.686 11.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.816 1.332 11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.680 1.400 12.708 1.00 0.00 H new ATOM 754 N VAL A 46 -3.346 -1.291 7.415 1.00 0.00 N ATOM 755 CA VAL A 46 -2.709 -2.585 7.193 1.00 0.00 C ATOM 756 C VAL A 46 -1.976 -2.580 5.856 1.00 0.00 C ATOM 757 O VAL A 46 -0.908 -3.175 5.723 1.00 0.00 O ATOM 758 CB VAL A 46 -3.697 -3.771 7.248 1.00 0.00 C ATOM 759 CG1 VAL A 46 -4.451 -3.773 8.569 1.00 0.00 C ATOM 760 CG2 VAL A 46 -4.665 -3.751 6.076 1.00 0.00 C ATOM 0 H VAL A 46 -4.360 -1.281 7.303 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.003 -2.730 8.010 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.116 -4.690 7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.143 -4.615 8.592 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.742 -3.863 9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.009 -2.842 8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.344 -4.601 6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.240 -2.825 6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.107 -3.813 5.142 1.00 0.00 H new ATOM 770 N GLY A 47 -2.537 -1.856 4.889 1.00 0.00 N ATOM 771 CA GLY A 47 -1.909 -1.723 3.589 1.00 0.00 C ATOM 772 C GLY A 47 -0.563 -1.045 3.701 1.00 0.00 C ATOM 773 O GLY A 47 0.383 -1.394 2.995 1.00 0.00 O ATOM 0 H GLY A 47 -3.421 -1.357 4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.787 -2.708 3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.556 -1.147 2.927 1.00 0.00 H new ATOM 777 N VAL A 48 -0.476 -0.083 4.615 1.00 0.00 N ATOM 778 CA VAL A 48 0.766 0.629 4.858 1.00 0.00 C ATOM 779 C VAL A 48 1.818 -0.324 5.414 1.00 0.00 C ATOM 780 O VAL A 48 2.982 -0.257 5.041 1.00 0.00 O ATOM 781 CB VAL A 48 0.567 1.809 5.831 1.00 0.00 C ATOM 782 CG1 VAL A 48 1.904 2.447 6.180 1.00 0.00 C ATOM 783 CG2 VAL A 48 -0.380 2.838 5.232 1.00 0.00 C ATOM 0 H VAL A 48 -1.256 0.219 5.199 1.00 0.00 H new ATOM 0 HA VAL A 48 1.105 1.033 3.904 1.00 0.00 H new ATOM 0 HB VAL A 48 0.122 1.427 6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.743 3.277 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.549 1.706 6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.380 2.816 5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.509 3.664 5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.036 3.215 4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.346 2.373 5.037 1.00 0.00 H new ATOM 793 N GLU A 49 1.412 -1.211 6.310 1.00 0.00 N ATOM 794 CA GLU A 49 2.351 -2.180 6.858 1.00 0.00 C ATOM 795 C GLU A 49 2.907 -3.048 5.735 1.00 0.00 C ATOM 796 O GLU A 49 4.090 -3.399 5.726 1.00 0.00 O ATOM 797 CB GLU A 49 1.675 -3.040 7.925 1.00 0.00 C ATOM 798 CG GLU A 49 2.530 -3.254 9.164 1.00 0.00 C ATOM 799 CD GLU A 49 2.005 -4.364 10.053 1.00 0.00 C ATOM 800 OE1 GLU A 49 0.771 -4.550 10.103 1.00 0.00 O ATOM 801 OE2 GLU A 49 2.827 -5.046 10.699 1.00 0.00 O ATOM 0 H GLU A 49 0.459 -1.281 6.668 1.00 0.00 H new ATOM 0 HA GLU A 49 3.176 -1.647 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.736 -2.570 8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.425 -4.009 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.550 -3.489 8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.573 -2.327 9.735 1.00 0.00 H new ATOM 808 N VAL A 50 2.057 -3.360 4.767 1.00 0.00 N ATOM 809 CA VAL A 50 2.506 -4.072 3.575 1.00 0.00 C ATOM 810 C VAL A 50 3.386 -3.111 2.780 1.00 0.00 C ATOM 811 O VAL A 50 4.517 -3.429 2.422 1.00 0.00 O ATOM 812 CB VAL A 50 1.327 -4.601 2.699 1.00 0.00 C ATOM 813 CG1 VAL A 50 1.643 -5.985 2.155 1.00 0.00 C ATOM 814 CG2 VAL A 50 0.019 -4.648 3.471 1.00 0.00 C ATOM 0 H VAL A 50 1.062 -3.135 4.781 1.00 0.00 H new ATOM 0 HA VAL A 50 3.061 -4.960 3.877 1.00 0.00 H new ATOM 0 HB VAL A 50 1.208 -3.901 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.809 -6.336 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.544 -5.938 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.803 -6.674 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.773 -5.022 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.127 -5.310 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.237 -3.646 3.815 1.00 0.00 H new ATOM 824 N ASN A 51 2.917 -1.872 2.661 1.00 0.00 N ATOM 825 CA ASN A 51 3.697 -0.801 2.048 1.00 0.00 C ATOM 826 C ASN A 51 5.065 -0.714 2.706 1.00 0.00 C ATOM 827 O ASN A 51 6.049 -0.337 2.073 1.00 0.00 O ATOM 828 CB ASN A 51 2.962 0.532 2.207 1.00 0.00 C ATOM 829 CG ASN A 51 3.530 1.623 1.340 1.00 0.00 C ATOM 830 OD1 ASN A 51 4.104 1.354 0.289 1.00 0.00 O ATOM 831 ND2 ASN A 51 3.362 2.865 1.780 1.00 0.00 N ATOM 0 H ASN A 51 1.993 -1.584 2.984 1.00 0.00 H new ATOM 0 HA ASN A 51 3.824 -1.017 0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.909 0.392 1.962 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.008 0.844 3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.718 3.651 1.236 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.877 3.033 2.661 1.00 0.00 H new ATOM 838 N LYS A 52 5.105 -1.022 3.994 1.00 0.00 N ATOM 839 CA LYS A 52 6.349 -1.004 4.742 1.00 0.00 C ATOM 840 C LYS A 52 7.270 -2.106 4.246 1.00 0.00 C ATOM 841 O LYS A 52 8.487 -1.942 4.196 1.00 0.00 O ATOM 842 CB LYS A 52 6.081 -1.199 6.236 1.00 0.00 C ATOM 843 CG LYS A 52 6.205 0.078 7.051 1.00 0.00 C ATOM 844 CD LYS A 52 6.420 -0.221 8.526 1.00 0.00 C ATOM 845 CE LYS A 52 5.435 0.539 9.399 1.00 0.00 C ATOM 846 NZ LYS A 52 6.106 1.194 10.554 1.00 0.00 N ATOM 0 H LYS A 52 4.287 -1.288 4.542 1.00 0.00 H new ATOM 0 HA LYS A 52 6.826 -0.035 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.078 -1.607 6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.779 -1.939 6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.038 0.672 6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.304 0.678 6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.312 -1.291 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.439 0.046 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.926 1.294 8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.670 -0.146 9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.399 1.701 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.570 0.472 11.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.818 1.867 10.206 1.00 0.00 H new ATOM 860 N PHE A 53 6.664 -3.240 3.888 1.00 0.00 N ATOM 861 CA PHE A 53 7.398 -4.438 3.473 1.00 0.00 C ATOM 862 C PHE A 53 8.702 -4.590 4.257 1.00 0.00 C ATOM 863 O PHE A 53 9.793 -4.568 3.688 1.00 0.00 O ATOM 864 CB PHE A 53 7.676 -4.473 1.965 1.00 0.00 C ATOM 865 CG PHE A 53 8.239 -3.211 1.389 1.00 0.00 C ATOM 866 CD1 PHE A 53 9.607 -3.024 1.310 1.00 0.00 C ATOM 867 CD2 PHE A 53 7.402 -2.254 0.844 1.00 0.00 C ATOM 868 CE1 PHE A 53 10.128 -1.879 0.749 1.00 0.00 C ATOM 869 CE2 PHE A 53 7.917 -1.100 0.289 1.00 0.00 C ATOM 870 CZ PHE A 53 9.290 -0.920 0.239 1.00 0.00 C ATOM 0 H PHE A 53 5.650 -3.354 3.878 1.00 0.00 H new ATOM 0 HA PHE A 53 6.750 -5.284 3.701 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.370 -5.288 1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.746 -4.707 1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.273 -3.783 1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.334 -2.412 0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 53 11.198 -1.736 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.255 -0.343 -0.104 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.701 -0.024 -0.202 1.00 0.00 H new ATOM 880 N LYS A 54 8.567 -4.727 5.567 1.00 0.00 N ATOM 881 CA LYS A 54 9.713 -4.844 6.454 1.00 0.00 C ATOM 882 C LYS A 54 10.567 -6.078 6.111 1.00 0.00 C ATOM 883 O LYS A 54 10.677 -6.452 4.943 1.00 0.00 O ATOM 884 CB LYS A 54 9.227 -4.884 7.902 1.00 0.00 C ATOM 885 CG LYS A 54 10.216 -4.279 8.889 1.00 0.00 C ATOM 886 CD LYS A 54 9.994 -2.785 9.070 1.00 0.00 C ATOM 887 CE LYS A 54 8.570 -2.474 9.496 1.00 0.00 C ATOM 888 NZ LYS A 54 8.060 -3.457 10.492 1.00 0.00 N ATOM 0 H LYS A 54 7.665 -4.760 6.043 1.00 0.00 H new ATOM 0 HA LYS A 54 10.355 -3.974 6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.280 -4.349 7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.031 -5.919 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.120 -4.780 9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.233 -4.455 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.689 -2.402 9.818 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.215 -2.269 8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.529 -1.472 9.922 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.921 -2.475 8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.309 -3.017 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.677 -4.287 9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.837 -3.755 11.115 1.00 0.00 H new ATOM 902 N LYS A 55 11.194 -6.686 7.123 1.00 0.00 N ATOM 903 CA LYS A 55 12.079 -7.826 6.910 1.00 0.00 C ATOM 904 C LYS A 55 11.357 -9.012 6.267 1.00 0.00 C ATOM 905 O LYS A 55 11.513 -9.265 5.073 1.00 0.00 O ATOM 906 CB LYS A 55 12.713 -8.248 8.240 1.00 0.00 C ATOM 907 CG LYS A 55 13.424 -7.112 8.955 1.00 0.00 C ATOM 908 CD LYS A 55 14.690 -6.696 8.222 1.00 0.00 C ATOM 909 CE LYS A 55 14.461 -5.456 7.374 1.00 0.00 C ATOM 910 NZ LYS A 55 14.864 -5.671 5.956 1.00 0.00 N ATOM 0 H LYS A 55 11.102 -6.404 8.099 1.00 0.00 H new ATOM 0 HA LYS A 55 12.857 -7.511 6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.938 -8.650 8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.424 -9.054 8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.753 -6.257 9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.675 -7.420 9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.483 -6.503 8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.030 -7.514 7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.408 -5.178 7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.027 -4.622 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.242 -5.120 5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.848 -5.362 5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.783 -6.681 5.722 1.00 0.00 H new ATOM 924 N SER A 56 10.599 -9.760 7.067 1.00 0.00 N ATOM 925 CA SER A 56 9.881 -10.926 6.565 1.00 0.00 C ATOM 926 C SER A 56 8.909 -10.529 5.468 1.00 0.00 C ATOM 927 O SER A 56 8.562 -11.340 4.609 1.00 0.00 O ATOM 928 CB SER A 56 9.125 -11.616 7.698 1.00 0.00 C ATOM 929 OG SER A 56 9.674 -11.282 8.961 1.00 0.00 O ATOM 0 H SER A 56 10.468 -9.579 8.062 1.00 0.00 H new ATOM 0 HA SER A 56 10.613 -11.619 6.151 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.075 -11.326 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.161 -12.696 7.557 1.00 0.00 H new ATOM 0 HG SER A 56 9.169 -11.736 9.668 1.00 0.00 H new ATOM 935 N THR A 57 8.451 -9.287 5.517 1.00 0.00 N ATOM 936 CA THR A 57 7.565 -8.773 4.495 1.00 0.00 C ATOM 937 C THR A 57 8.404 -8.189 3.378 1.00 0.00 C ATOM 938 O THR A 57 8.424 -6.983 3.144 1.00 0.00 O ATOM 939 CB THR A 57 6.618 -7.729 5.089 1.00 0.00 C ATOM 940 OG1 THR A 57 7.156 -7.183 6.282 1.00 0.00 O ATOM 941 CG2 THR A 57 5.248 -8.280 5.410 1.00 0.00 C ATOM 0 H THR A 57 8.680 -8.621 6.254 1.00 0.00 H new ATOM 0 HA THR A 57 6.948 -9.577 4.093 1.00 0.00 H new ATOM 0 HB THR A 57 6.512 -6.964 4.320 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.536 -6.516 6.645 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.626 -7.488 5.828 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.787 -8.661 4.499 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.342 -9.088 6.135 1.00 0.00 H new ATOM 949 N ASN A 58 9.099 -9.082 2.697 1.00 0.00 N ATOM 950 CA ASN A 58 10.022 -8.713 1.640 1.00 0.00 C ATOM 951 C ASN A 58 9.333 -7.931 0.530 1.00 0.00 C ATOM 952 O ASN A 58 8.117 -7.969 0.397 1.00 0.00 O ATOM 953 CB ASN A 58 10.673 -9.964 1.057 1.00 0.00 C ATOM 954 CG ASN A 58 12.184 -9.857 0.988 1.00 0.00 C ATOM 955 OD1 ASN A 58 12.767 -9.820 -0.096 1.00 0.00 O ATOM 956 ND2 ASN A 58 12.827 -9.809 2.148 1.00 0.00 N ATOM 0 H ASN A 58 9.039 -10.087 2.862 1.00 0.00 H new ATOM 0 HA ASN A 58 10.783 -8.069 2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.401 -10.827 1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.279 -10.141 0.056 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.844 -9.739 2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.304 -9.842 3.023 1.00 0.00 H new ATOM 963 N VAL A 59 10.133 -7.198 -0.241 1.00 0.00 N ATOM 964 CA VAL A 59 9.628 -6.374 -1.351 1.00 0.00 C ATOM 965 C VAL A 59 8.511 -7.071 -2.103 1.00 0.00 C ATOM 966 O VAL A 59 7.592 -6.425 -2.606 1.00 0.00 O ATOM 967 CB VAL A 59 10.726 -6.033 -2.379 1.00 0.00 C ATOM 968 CG1 VAL A 59 10.362 -4.770 -3.145 1.00 0.00 C ATOM 969 CG2 VAL A 59 12.086 -5.894 -1.720 1.00 0.00 C ATOM 0 H VAL A 59 11.145 -7.154 -0.120 1.00 0.00 H new ATOM 0 HA VAL A 59 9.263 -5.459 -0.883 1.00 0.00 H new ATOM 0 HB VAL A 59 10.791 -6.861 -3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.147 -4.543 -3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.419 -4.922 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.259 -3.939 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.834 -5.654 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.051 -5.096 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.352 -6.832 -1.232 1.00 0.00 H new ATOM 979 N GLU A 60 8.570 -8.395 -2.147 1.00 0.00 N ATOM 980 CA GLU A 60 7.525 -9.176 -2.811 1.00 0.00 C ATOM 981 C GLU A 60 6.158 -8.707 -2.324 1.00 0.00 C ATOM 982 O GLU A 60 5.171 -8.728 -3.058 1.00 0.00 O ATOM 983 CB GLU A 60 7.697 -10.667 -2.518 1.00 0.00 C ATOM 984 CG GLU A 60 7.622 -11.008 -1.049 1.00 0.00 C ATOM 985 CD GLU A 60 8.768 -11.890 -0.593 1.00 0.00 C ATOM 986 OE1 GLU A 60 9.837 -11.853 -1.236 1.00 0.00 O ATOM 987 OE2 GLU A 60 8.594 -12.620 0.406 1.00 0.00 O ATOM 0 H GLU A 60 9.321 -8.950 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 60 7.603 -9.026 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.927 -11.225 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.659 -10.997 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.624 -10.087 -0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.677 -11.512 -0.845 1.00 0.00 H new ATOM 994 N ILE A 61 6.151 -8.200 -1.097 1.00 0.00 N ATOM 995 CA ILE A 61 4.972 -7.629 -0.488 1.00 0.00 C ATOM 996 C ILE A 61 4.345 -6.591 -1.422 1.00 0.00 C ATOM 997 O ILE A 61 3.130 -6.453 -1.476 1.00 0.00 O ATOM 998 CB ILE A 61 5.355 -6.995 0.885 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.191 -7.999 2.034 1.00 0.00 C ATOM 1000 CG2 ILE A 61 4.540 -5.748 1.196 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.362 -9.458 1.655 1.00 0.00 C ATOM 0 H ILE A 61 6.975 -8.177 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 61 4.232 -8.411 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 61 6.404 -6.710 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.915 -7.756 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.200 -7.868 2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.845 -5.346 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.709 -5.000 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.481 -6.004 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.226 -10.082 2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.621 -9.728 0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.362 -9.614 1.251 1.00 0.00 H new ATOM 1013 N SER A 62 5.185 -5.841 -2.132 1.00 0.00 N ATOM 1014 CA SER A 62 4.691 -4.798 -3.028 1.00 0.00 C ATOM 1015 C SER A 62 3.615 -5.350 -3.944 1.00 0.00 C ATOM 1016 O SER A 62 2.505 -4.832 -3.995 1.00 0.00 O ATOM 1017 CB SER A 62 5.839 -4.211 -3.850 1.00 0.00 C ATOM 1018 OG SER A 62 7.019 -4.106 -3.073 1.00 0.00 O ATOM 0 H SER A 62 6.200 -5.934 -2.105 1.00 0.00 H new ATOM 0 HA SER A 62 4.256 -4.003 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.027 -4.841 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.557 -3.227 -4.224 1.00 0.00 H new ATOM 0 HG SER A 62 7.487 -4.967 -3.071 1.00 0.00 H new ATOM 1024 N LYS A 63 3.910 -6.442 -4.609 1.00 0.00 N ATOM 1025 CA LYS A 63 2.903 -7.086 -5.420 1.00 0.00 C ATOM 1026 C LYS A 63 1.851 -7.691 -4.522 1.00 0.00 C ATOM 1027 O LYS A 63 0.677 -7.774 -4.885 1.00 0.00 O ATOM 1028 CB LYS A 63 3.517 -8.132 -6.309 1.00 0.00 C ATOM 1029 CG LYS A 63 4.004 -7.526 -7.596 1.00 0.00 C ATOM 1030 CD LYS A 63 5.398 -8.011 -7.961 1.00 0.00 C ATOM 1031 CE LYS A 63 6.409 -7.668 -6.878 1.00 0.00 C ATOM 1032 NZ LYS A 63 7.059 -8.886 -6.320 1.00 0.00 N ATOM 0 H LYS A 63 4.823 -6.897 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 63 2.436 -6.343 -6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.348 -8.612 -5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.783 -8.909 -6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.311 -7.776 -8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.010 -6.440 -7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.380 -9.090 -8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.706 -7.559 -8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.171 -7.006 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.911 -7.122 -6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.982 -8.632 -5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.454 -9.293 -5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.196 -9.585 -7.078 1.00 0.00 H new ATOM 1046 N LEU A 64 2.275 -8.090 -3.329 1.00 0.00 N ATOM 1047 CA LEU A 64 1.353 -8.632 -2.365 1.00 0.00 C ATOM 1048 C LEU A 64 0.294 -7.590 -2.040 1.00 0.00 C ATOM 1049 O LEU A 64 -0.878 -7.921 -1.863 1.00 0.00 O ATOM 1050 CB LEU A 64 2.076 -9.074 -1.096 1.00 0.00 C ATOM 1051 CG LEU A 64 1.300 -10.067 -0.235 1.00 0.00 C ATOM 1052 CD1 LEU A 64 2.192 -11.227 0.182 1.00 0.00 C ATOM 1053 CD2 LEU A 64 0.720 -9.366 0.981 1.00 0.00 C ATOM 0 H LEU A 64 3.245 -8.045 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 64 0.876 -9.513 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.030 -9.523 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.302 -8.192 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 64 0.477 -10.471 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.620 -11.924 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.559 -11.742 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.037 -10.848 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.169 -10.085 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.528 -8.936 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.046 -8.573 0.657 1.00 0.00 H new ATOM 1065 N VAL A 65 0.702 -6.317 -2.001 1.00 0.00 N ATOM 1066 CA VAL A 65 -0.251 -5.243 -1.789 1.00 0.00 C ATOM 1067 C VAL A 65 -1.207 -5.220 -2.969 1.00 0.00 C ATOM 1068 O VAL A 65 -2.414 -5.053 -2.796 1.00 0.00 O ATOM 1069 CB VAL A 65 0.408 -3.853 -1.558 1.00 0.00 C ATOM 1070 CG1 VAL A 65 0.831 -3.166 -2.852 1.00 0.00 C ATOM 1071 CG2 VAL A 65 -0.538 -2.958 -0.787 1.00 0.00 C ATOM 0 H VAL A 65 1.670 -6.017 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.790 -5.445 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 65 1.317 -4.028 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.283 -2.202 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.555 -3.790 -3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.043 -3.014 -3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.071 -1.986 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.460 -2.829 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.765 -3.413 0.177 1.00 0.00 H new ATOM 1081 N LYS A 66 -0.679 -5.537 -4.157 1.00 0.00 N ATOM 1082 CA LYS A 66 -1.527 -5.653 -5.334 1.00 0.00 C ATOM 1083 C LYS A 66 -2.574 -6.735 -5.084 1.00 0.00 C ATOM 1084 O LYS A 66 -3.779 -6.510 -5.227 1.00 0.00 O ATOM 1085 CB LYS A 66 -0.693 -5.993 -6.569 1.00 0.00 C ATOM 1086 CG LYS A 66 -1.312 -5.518 -7.869 1.00 0.00 C ATOM 1087 CD LYS A 66 -0.769 -4.158 -8.256 1.00 0.00 C ATOM 1088 CE LYS A 66 0.429 -4.282 -9.179 1.00 0.00 C ATOM 1089 NZ LYS A 66 0.059 -4.870 -10.497 1.00 0.00 N ATOM 0 H LYS A 66 0.312 -5.713 -4.321 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.022 -4.700 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.296 -5.547 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.553 -7.073 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.103 -6.237 -8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.396 -5.466 -7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.551 -3.579 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.483 -3.610 -7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.872 -3.298 -9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.189 -4.903 -8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.743 -4.564 -11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.068 -5.908 -10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.893 -4.549 -10.765 1.00 0.00 H new ATOM 1103 N LYS A 67 -2.107 -7.893 -4.636 1.00 0.00 N ATOM 1104 CA LYS A 67 -3.008 -8.973 -4.264 1.00 0.00 C ATOM 1105 C LYS A 67 -3.922 -8.484 -3.150 1.00 0.00 C ATOM 1106 O LYS A 67 -5.117 -8.794 -3.114 1.00 0.00 O ATOM 1107 CB LYS A 67 -2.220 -10.202 -3.803 1.00 0.00 C ATOM 1108 CG LYS A 67 -2.254 -11.356 -4.793 1.00 0.00 C ATOM 1109 CD LYS A 67 -1.439 -11.046 -6.038 1.00 0.00 C ATOM 1110 CE LYS A 67 -0.211 -11.937 -6.135 1.00 0.00 C ATOM 1111 NZ LYS A 67 0.951 -11.220 -6.730 1.00 0.00 N ATOM 0 H LYS A 67 -1.116 -8.107 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.602 -9.264 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.183 -9.914 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.620 -10.542 -2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.865 -12.256 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.286 -11.565 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.060 -11.182 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.131 -10.001 -6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.055 -12.297 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.445 -12.813 -6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.768 -11.862 -6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.707 -10.898 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.191 -10.398 -6.139 1.00 0.00 H new ATOM 1125 N MET A 68 -3.350 -7.667 -2.271 1.00 0.00 N ATOM 1126 CA MET A 68 -4.103 -7.061 -1.187 1.00 0.00 C ATOM 1127 C MET A 68 -5.237 -6.223 -1.764 1.00 0.00 C ATOM 1128 O MET A 68 -6.303 -6.116 -1.164 1.00 0.00 O ATOM 1129 CB MET A 68 -3.184 -6.206 -0.306 1.00 0.00 C ATOM 1130 CG MET A 68 -3.628 -6.114 1.145 1.00 0.00 C ATOM 1131 SD MET A 68 -3.141 -7.557 2.111 1.00 0.00 S ATOM 1132 CE MET A 68 -4.613 -7.816 3.098 1.00 0.00 C ATOM 0 H MET A 68 -2.363 -7.411 -2.292 1.00 0.00 H new ATOM 0 HA MET A 68 -4.528 -7.846 -0.561 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.176 -6.620 -0.341 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.130 -5.200 -0.723 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.201 -5.218 1.596 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.712 -6.004 1.183 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.467 -8.677 3.750 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.805 -6.931 3.704 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.464 -7.998 2.442 1.00 0.00 H new ATOM 1142 N ILE A 69 -5.009 -5.647 -2.948 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.049 -4.880 -3.628 1.00 0.00 C ATOM 1144 C ILE A 69 -7.250 -5.765 -3.894 1.00 0.00 C ATOM 1145 O ILE A 69 -8.390 -5.395 -3.612 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.579 -4.301 -4.977 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -4.323 -3.455 -4.812 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -6.691 -3.478 -5.611 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -3.800 -2.930 -6.131 1.00 0.00 C ATOM 0 H ILE A 69 -4.122 -5.698 -3.449 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.303 -4.051 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.334 -5.136 -5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.538 -2.616 -4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.548 -4.051 -4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.347 -3.074 -6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.562 -4.111 -5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.961 -2.658 -4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.904 -2.334 -5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.556 -3.767 -6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.562 -2.310 -6.604 1.00 0.00 H new ATOM 1161 N SER A 70 -6.983 -6.945 -4.437 1.00 0.00 N ATOM 1162 CA SER A 70 -8.046 -7.890 -4.751 1.00 0.00 C ATOM 1163 C SER A 70 -8.945 -8.109 -3.538 1.00 0.00 C ATOM 1164 O SER A 70 -10.167 -7.989 -3.628 1.00 0.00 O ATOM 1165 CB SER A 70 -7.453 -9.222 -5.213 1.00 0.00 C ATOM 1166 OG SER A 70 -6.673 -9.056 -6.385 1.00 0.00 O ATOM 0 H SER A 70 -6.044 -7.270 -4.668 1.00 0.00 H new ATOM 0 HA SER A 70 -8.648 -7.473 -5.559 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.836 -9.644 -4.419 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.256 -9.934 -5.405 1.00 0.00 H new ATOM 0 HG SER A 70 -6.304 -9.922 -6.658 1.00 0.00 H new ATOM 1172 N SER A 71 -8.330 -8.417 -2.400 1.00 0.00 N ATOM 1173 CA SER A 71 -9.073 -8.636 -1.164 1.00 0.00 C ATOM 1174 C SER A 71 -9.508 -7.315 -0.533 1.00 0.00 C ATOM 1175 O SER A 71 -10.477 -7.270 0.224 1.00 0.00 O ATOM 1176 CB SER A 71 -8.222 -9.431 -0.170 1.00 0.00 C ATOM 1177 OG SER A 71 -8.359 -10.826 -0.381 1.00 0.00 O ATOM 0 H SER A 71 -7.319 -8.520 -2.308 1.00 0.00 H new ATOM 0 HA SER A 71 -9.969 -9.205 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.175 -9.146 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.521 -9.183 0.849 1.00 0.00 H new ATOM 0 HG SER A 71 -7.804 -11.311 0.265 1.00 0.00 H new ATOM 1183 N TRP A 72 -8.778 -6.243 -0.835 1.00 0.00 N ATOM 1184 CA TRP A 72 -9.083 -4.929 -0.277 1.00 0.00 C ATOM 1185 C TRP A 72 -10.531 -4.548 -0.548 1.00 0.00 C ATOM 1186 O TRP A 72 -11.279 -4.213 0.370 1.00 0.00 O ATOM 1187 CB TRP A 72 -8.161 -3.865 -0.876 1.00 0.00 C ATOM 1188 CG TRP A 72 -6.862 -3.706 -0.153 1.00 0.00 C ATOM 1189 CD1 TRP A 72 -6.537 -4.216 1.067 1.00 0.00 C ATOM 1190 CD2 TRP A 72 -5.722 -2.966 -0.599 1.00 0.00 C ATOM 1191 NE1 TRP A 72 -5.259 -3.840 1.410 1.00 0.00 N ATOM 1192 CE2 TRP A 72 -4.736 -3.075 0.401 1.00 0.00 C ATOM 1193 CE3 TRP A 72 -5.437 -2.220 -1.746 1.00 0.00 C ATOM 1194 CZ2 TRP A 72 -3.489 -2.465 0.285 1.00 0.00 C ATOM 1195 CZ3 TRP A 72 -4.197 -1.624 -1.862 1.00 0.00 C ATOM 1196 CH2 TRP A 72 -3.243 -1.741 -0.849 1.00 0.00 C ATOM 0 H TRP A 72 -7.973 -6.259 -1.462 1.00 0.00 H new ATOM 0 HA TRP A 72 -8.924 -4.981 0.800 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -7.957 -4.120 -1.916 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.682 -2.908 -0.879 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -7.187 -4.826 1.676 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.779 -4.090 2.275 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -6.174 -2.112 -2.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -2.744 -2.560 1.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.961 -1.058 -2.751 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.289 -1.248 -0.964 1.00 0.00 H new ATOM 1207 N LYS A 73 -10.922 -4.617 -1.814 1.00 0.00 N ATOM 1208 CA LYS A 73 -12.288 -4.303 -2.204 1.00 0.00 C ATOM 1209 C LYS A 73 -13.231 -5.379 -1.687 1.00 0.00 C ATOM 1210 O LYS A 73 -14.380 -5.103 -1.344 1.00 0.00 O ATOM 1211 CB LYS A 73 -12.395 -4.181 -3.725 1.00 0.00 C ATOM 1212 CG LYS A 73 -11.704 -2.944 -4.279 1.00 0.00 C ATOM 1213 CD LYS A 73 -12.556 -2.253 -5.332 1.00 0.00 C ATOM 1214 CE LYS A 73 -12.041 -2.533 -6.735 1.00 0.00 C ATOM 1215 NZ LYS A 73 -12.327 -3.930 -7.164 1.00 0.00 N ATOM 0 H LYS A 73 -10.313 -4.887 -2.586 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.571 -3.346 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.960 -5.068 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.447 -4.158 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.494 -2.249 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.745 -3.226 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.588 -2.593 -5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.559 -1.178 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.501 -1.837 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.966 -2.356 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.960 -4.080 -8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.867 -4.595 -6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.354 -4.092 -7.157 1.00 0.00 H new ATOM 1229 N ASP A 74 -12.722 -6.604 -1.611 1.00 0.00 N ATOM 1230 CA ASP A 74 -13.497 -7.718 -1.088 1.00 0.00 C ATOM 1231 C ASP A 74 -14.044 -7.370 0.291 1.00 0.00 C ATOM 1232 O ASP A 74 -15.164 -7.741 0.642 1.00 0.00 O ATOM 1233 CB ASP A 74 -12.632 -8.977 -1.010 1.00 0.00 C ATOM 1234 CG ASP A 74 -13.418 -10.239 -1.307 1.00 0.00 C ATOM 1235 OD1 ASP A 74 -14.666 -10.173 -1.321 1.00 0.00 O ATOM 1236 OD2 ASP A 74 -12.787 -11.295 -1.525 1.00 0.00 O ATOM 0 H ASP A 74 -11.776 -6.848 -1.905 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.332 -7.911 -1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.807 -8.892 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.193 -9.052 -0.015 1.00 0.00 H new ATOM 1241 N ALA A 75 -13.240 -6.646 1.064 1.00 0.00 N ATOM 1242 CA ALA A 75 -13.632 -6.222 2.403 1.00 0.00 C ATOM 1243 C ALA A 75 -14.685 -5.127 2.351 1.00 0.00 C ATOM 1244 O ALA A 75 -15.560 -5.057 3.212 1.00 0.00 O ATOM 1245 CB ALA A 75 -12.417 -5.756 3.189 1.00 0.00 C ATOM 0 H ALA A 75 -12.308 -6.340 0.784 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.070 -7.081 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.727 -5.443 4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.701 -6.574 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.950 -4.916 2.674 1.00 0.00 H new ATOM 1251 N ILE A 76 -14.599 -4.271 1.341 1.00 0.00 N ATOM 1252 CA ILE A 76 -15.549 -3.183 1.206 1.00 0.00 C ATOM 1253 C ILE A 76 -16.926 -3.703 0.811 1.00 0.00 C ATOM 1254 O ILE A 76 -17.948 -3.123 1.176 1.00 0.00 O ATOM 1255 CB ILE A 76 -15.091 -2.141 0.167 1.00 0.00 C ATOM 1256 CG1 ILE A 76 -13.636 -1.730 0.407 1.00 0.00 C ATOM 1257 CG2 ILE A 76 -15.999 -0.923 0.212 1.00 0.00 C ATOM 1258 CD1 ILE A 76 -13.076 -0.846 -0.685 1.00 0.00 C ATOM 0 H ILE A 76 -13.887 -4.311 0.612 1.00 0.00 H new ATOM 0 HA ILE A 76 -15.605 -2.701 2.182 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.155 -2.594 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.566 -1.206 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -13.021 -2.626 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.666 -0.193 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.023 -1.224 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -15.961 -0.477 1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.042 -0.592 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -13.114 -1.375 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.668 0.067 -0.753 1.00 0.00 H new ATOM 1270 N ASN A 77 -16.947 -4.797 0.057 1.00 0.00 N ATOM 1271 CA ASN A 77 -18.199 -5.394 -0.390 1.00 0.00 C ATOM 1272 C ASN A 77 -19.082 -5.762 0.798 1.00 0.00 C ATOM 1273 O ASN A 77 -20.136 -6.396 0.577 1.00 0.00 O ATOM 1274 CB ASN A 77 -17.921 -6.637 -1.238 1.00 0.00 C ATOM 1275 CG ASN A 77 -19.178 -7.192 -1.880 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -19.577 -6.762 -2.964 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -19.811 -8.150 -1.214 1.00 0.00 N ATOM 1278 OXT ASN A 77 -18.714 -5.411 1.939 1.00 0.00 O ATOM 0 H ASN A 77 -16.110 -5.288 -0.257 1.00 0.00 H new ATOM 0 HA ASN A 77 -18.727 -4.658 -0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -17.198 -6.389 -2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.466 -7.405 -0.613 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -20.663 -8.560 -1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -19.445 -8.476 -0.319 1.00 0.00 H new TER 1285 ASN A 77