USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 907 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 ASN : amide:sc= 1.33 K(o=2.5,f=-5.4!) USER MOD Set 1.2: A 71 THR OG1 : rot 70:sc= 1.2 USER MOD Set 2.1: A 11 LYS NZ :NH3+ -169:sc= 0.676 (180deg=0) USER MOD Set 2.2: A 67 THR OG1 : rot -34:sc= 1.02 USER MOD Set 3.1: A 37 CYS SG : rot 120:sc= 0.559 USER MOD Set 3.2: A 40 CYS SG : rot 83:sc= 0.0253 USER MOD Set 4.1: A 35 THR OG1 : rot 180:sc= 0.801 USER MOD Set 4.2: A 41 LYS NZ :NH3+ 155:sc= 0.924 (180deg=0) USER MOD Set 5.1: A 26 LYS NZ :NH3+ -170:sc= 1.07 (180deg=0.442) USER MOD Set 5.2: A 59 THR OG1 : rot 180:sc= 0.638 USER MOD Set 6.1: A 13 THR OG1 : rot -43:sc= 0.253 USER MOD Set 6.2: A 16 SER OG : rot 98:sc= 0.58 USER MOD Set 7.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 4 SER OG : rot 180:sc= 0.752 USER MOD Set 7.3: A 6 LYS NZ :NH3+ 169:sc= 0.841 (180deg=-0.0315) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0309 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00941 USER MOD Single : A 7 SER OG : rot -173:sc= 0.31 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 23 SER OG : rot 71:sc= 0.701 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0599 USER MOD Single : A 25 ASN : amide:sc= -0.0414 X(o=-0.041,f=-0.067) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.757 USER MOD Single : A 56 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 62 LYS NZ :NH3+ -142:sc= 0.455 (180deg=0.019) USER MOD Single : A 74 ASN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 112:sc= 1.3 USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= 0.24 (180deg=0.138) USER MOD Single : A 90 GLN : amide:sc= -0.0117 K(o=-0.012,f=-0.59) USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 2.32 (180deg=2.3) USER MOD Single : A 99 LYS NZ :NH3+ 173:sc= 1.11 (180deg=1.09) USER MOD Single : A 101 LYS NZ :NH3+ -164:sc= 2.35 (180deg=1.66) USER MOD Single : A 109 SER OG : rot 41:sc= 0.39 USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 116 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.208 -13.654 24.435 1.00 0.00 N ATOM 2 CA MET A 1 3.549 -12.660 23.546 1.00 0.00 C ATOM 3 C MET A 1 2.974 -13.332 22.296 1.00 0.00 C ATOM 4 O MET A 1 3.532 -14.319 21.814 1.00 0.00 O ATOM 5 CB MET A 1 4.482 -11.482 23.181 1.00 0.00 C ATOM 6 CG MET A 1 5.670 -11.851 22.276 1.00 0.00 C ATOM 7 SD MET A 1 6.846 -10.495 22.007 1.00 0.00 S ATOM 8 CE MET A 1 7.976 -11.304 20.842 1.00 0.00 C ATOM 0 H1 MET A 1 5.122 -13.278 24.758 1.00 0.00 H new ATOM 0 H2 MET A 1 3.600 -13.840 25.258 1.00 0.00 H new ATOM 0 H3 MET A 1 4.363 -14.539 23.911 1.00 0.00 H new ATOM 0 HA MET A 1 2.719 -12.233 24.109 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.892 -10.711 22.685 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.868 -11.045 24.102 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.200 -12.695 22.717 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.288 -12.183 21.311 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.770 -10.611 20.565 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.412 -12.186 21.311 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.426 -11.602 19.949 1.00 0.00 H new ATOM 19 N THR A 2 1.873 -12.805 21.754 1.00 0.00 N ATOM 20 CA THR A 2 1.229 -13.310 20.520 1.00 0.00 C ATOM 21 C THR A 2 1.928 -12.825 19.243 1.00 0.00 C ATOM 22 O THR A 2 2.065 -13.586 18.284 1.00 0.00 O ATOM 23 CB THR A 2 -0.253 -12.901 20.472 1.00 0.00 C ATOM 24 OG1 THR A 2 -0.393 -11.525 20.779 1.00 0.00 O ATOM 25 CG2 THR A 2 -1.085 -13.683 21.489 1.00 0.00 C ATOM 0 H THR A 2 1.390 -12.003 22.160 1.00 0.00 H new ATOM 0 HA THR A 2 1.315 -14.396 20.555 1.00 0.00 H new ATOM 0 HB THR A 2 -0.607 -13.115 19.464 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.340 -11.277 20.743 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.127 -13.368 21.426 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.015 -14.749 21.273 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.707 -13.490 22.493 1.00 0.00 H new ATOM 33 N ASP A 3 2.419 -11.582 19.243 1.00 0.00 N ATOM 34 CA ASP A 3 3.191 -10.943 18.168 1.00 0.00 C ATOM 35 C ASP A 3 4.261 -10.000 18.748 1.00 0.00 C ATOM 36 O ASP A 3 4.104 -9.470 19.852 1.00 0.00 O ATOM 37 CB ASP A 3 2.253 -10.153 17.236 1.00 0.00 C ATOM 38 CG ASP A 3 1.422 -11.063 16.316 1.00 0.00 C ATOM 39 OD1 ASP A 3 1.991 -11.609 15.339 1.00 0.00 O ATOM 40 OD2 ASP A 3 0.194 -11.199 16.533 1.00 0.00 O ATOM 0 H ASP A 3 2.282 -10.958 20.038 1.00 0.00 H new ATOM 0 HA ASP A 3 3.689 -11.726 17.597 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.581 -9.541 17.838 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.845 -9.470 16.626 1.00 0.00 H new ATOM 45 N SER A 4 5.346 -9.769 17.998 1.00 0.00 N ATOM 46 CA SER A 4 6.450 -8.881 18.406 1.00 0.00 C ATOM 47 C SER A 4 6.127 -7.389 18.199 1.00 0.00 C ATOM 48 O SER A 4 6.575 -6.542 18.972 1.00 0.00 O ATOM 49 CB SER A 4 7.723 -9.293 17.653 1.00 0.00 C ATOM 50 OG SER A 4 8.892 -8.803 18.289 1.00 0.00 O ATOM 0 H SER A 4 5.487 -10.195 17.082 1.00 0.00 H new ATOM 0 HA SER A 4 6.604 -8.997 19.479 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.772 -10.380 17.589 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.679 -8.916 16.631 1.00 0.00 H new ATOM 0 HG SER A 4 9.682 -9.086 17.783 1.00 0.00 H new ATOM 56 N GLU A 5 5.303 -7.062 17.190 1.00 0.00 N ATOM 57 CA GLU A 5 4.767 -5.714 16.899 1.00 0.00 C ATOM 58 C GLU A 5 5.834 -4.605 16.706 1.00 0.00 C ATOM 59 O GLU A 5 5.611 -3.437 17.041 1.00 0.00 O ATOM 60 CB GLU A 5 3.663 -5.329 17.908 1.00 0.00 C ATOM 61 CG GLU A 5 2.515 -6.328 17.979 1.00 0.00 C ATOM 62 CD GLU A 5 1.358 -5.794 18.846 1.00 0.00 C ATOM 63 OE1 GLU A 5 1.438 -5.871 20.097 1.00 0.00 O ATOM 64 OE2 GLU A 5 0.354 -5.293 18.284 1.00 0.00 O ATOM 0 H GLU A 5 4.975 -7.759 16.522 1.00 0.00 H new ATOM 0 HA GLU A 5 4.311 -5.786 15.912 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.108 -5.231 18.898 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.264 -4.351 17.639 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.151 -6.538 16.973 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.876 -7.270 18.391 1.00 0.00 H new ATOM 71 N LYS A 6 7.008 -4.963 16.162 1.00 0.00 N ATOM 72 CA LYS A 6 8.166 -4.055 15.982 1.00 0.00 C ATOM 73 C LYS A 6 8.121 -3.213 14.698 1.00 0.00 C ATOM 74 O LYS A 6 8.865 -2.238 14.576 1.00 0.00 O ATOM 75 CB LYS A 6 9.481 -4.859 16.073 1.00 0.00 C ATOM 76 CG LYS A 6 9.649 -5.654 17.380 1.00 0.00 C ATOM 77 CD LYS A 6 9.897 -4.782 18.624 1.00 0.00 C ATOM 78 CE LYS A 6 9.520 -5.476 19.943 1.00 0.00 C ATOM 79 NZ LYS A 6 10.110 -6.834 20.081 1.00 0.00 N ATOM 0 H LYS A 6 7.188 -5.909 15.826 1.00 0.00 H new ATOM 0 HA LYS A 6 8.115 -3.330 16.794 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.529 -5.551 15.232 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.321 -4.172 15.969 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.754 -6.254 17.544 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.482 -6.348 17.265 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.950 -4.502 18.658 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.324 -3.859 18.531 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.849 -4.858 20.778 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.435 -5.550 20.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.978 -7.172 21.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.639 -7.486 19.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.126 -6.795 19.863 1.00 0.00 H new ATOM 93 N SER A 7 7.248 -3.574 13.759 1.00 0.00 N ATOM 94 CA SER A 7 7.009 -2.881 12.484 1.00 0.00 C ATOM 95 C SER A 7 5.781 -1.957 12.532 1.00 0.00 C ATOM 96 O SER A 7 4.884 -2.129 13.364 1.00 0.00 O ATOM 97 CB SER A 7 6.891 -3.902 11.345 1.00 0.00 C ATOM 98 OG SER A 7 5.895 -4.873 11.625 1.00 0.00 O ATOM 0 H SER A 7 6.657 -4.398 13.867 1.00 0.00 H new ATOM 0 HA SER A 7 7.867 -2.236 12.297 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.649 -3.387 10.415 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.851 -4.395 11.195 1.00 0.00 H new ATOM 0 HG SER A 7 5.915 -5.570 10.936 1.00 0.00 H new ATOM 104 N ALA A 8 5.740 -0.960 11.641 1.00 0.00 N ATOM 105 CA ALA A 8 4.749 0.126 11.650 1.00 0.00 C ATOM 106 C ALA A 8 3.638 -0.012 10.578 1.00 0.00 C ATOM 107 O ALA A 8 3.134 0.989 10.060 1.00 0.00 O ATOM 108 CB ALA A 8 5.512 1.457 11.585 1.00 0.00 C ATOM 0 H ALA A 8 6.410 -0.883 10.875 1.00 0.00 H new ATOM 0 HA ALA A 8 4.179 0.077 12.578 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.802 2.284 11.590 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.172 1.540 12.448 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.104 1.493 10.670 1.00 0.00 H new ATOM 114 N THR A 9 3.252 -1.244 10.229 1.00 0.00 N ATOM 115 CA THR A 9 2.193 -1.547 9.243 1.00 0.00 C ATOM 116 C THR A 9 0.793 -1.653 9.870 1.00 0.00 C ATOM 117 O THR A 9 0.640 -1.993 11.047 1.00 0.00 O ATOM 118 CB THR A 9 2.511 -2.827 8.449 1.00 0.00 C ATOM 119 OG1 THR A 9 2.793 -3.897 9.326 1.00 0.00 O ATOM 120 CG2 THR A 9 3.721 -2.648 7.531 1.00 0.00 C ATOM 0 H THR A 9 3.673 -2.082 10.630 1.00 0.00 H new ATOM 0 HA THR A 9 2.178 -0.697 8.560 1.00 0.00 H new ATOM 0 HB THR A 9 1.629 -3.041 7.846 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.991 -4.703 8.805 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.908 -3.576 6.991 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.522 -1.847 6.819 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.596 -2.393 8.128 1.00 0.00 H new ATOM 128 N ILE A 10 -0.239 -1.374 9.065 1.00 0.00 N ATOM 129 CA ILE A 10 -1.679 -1.445 9.402 1.00 0.00 C ATOM 130 C ILE A 10 -2.488 -2.023 8.228 1.00 0.00 C ATOM 131 O ILE A 10 -1.995 -2.050 7.099 1.00 0.00 O ATOM 132 CB ILE A 10 -2.236 -0.051 9.802 1.00 0.00 C ATOM 133 CG1 ILE A 10 -1.945 1.031 8.736 1.00 0.00 C ATOM 134 CG2 ILE A 10 -1.704 0.358 11.186 1.00 0.00 C ATOM 135 CD1 ILE A 10 -2.604 2.386 9.019 1.00 0.00 C ATOM 0 H ILE A 10 -0.090 -1.074 8.102 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.782 -2.111 10.259 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.321 -0.134 9.859 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.867 1.172 8.663 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.285 0.670 7.766 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.102 1.337 11.454 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.017 -0.377 11.928 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.615 0.404 11.158 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.350 3.087 8.224 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.686 2.262 9.061 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.245 2.773 9.973 1.00 0.00 H new ATOM 147 N LYS A 11 -3.743 -2.438 8.455 1.00 0.00 N ATOM 148 CA LYS A 11 -4.720 -2.693 7.376 1.00 0.00 C ATOM 149 C LYS A 11 -5.964 -1.803 7.463 1.00 0.00 C ATOM 150 O LYS A 11 -6.354 -1.367 8.547 1.00 0.00 O ATOM 151 CB LYS A 11 -5.049 -4.190 7.212 1.00 0.00 C ATOM 152 CG LYS A 11 -6.012 -4.768 8.266 1.00 0.00 C ATOM 153 CD LYS A 11 -6.465 -6.201 7.935 1.00 0.00 C ATOM 154 CE LYS A 11 -7.354 -6.263 6.679 1.00 0.00 C ATOM 155 NZ LYS A 11 -7.854 -7.641 6.423 1.00 0.00 N ATOM 0 H LYS A 11 -4.113 -2.607 9.390 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.225 -2.397 6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.482 -4.344 6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.118 -4.756 7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.524 -4.762 9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.888 -4.124 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.588 -6.831 7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.012 -6.611 8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.200 -5.586 6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.787 -5.916 5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.289 -7.683 5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.061 -8.312 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.562 -7.892 7.142 1.00 0.00 H new ATOM 169 N VAL A 12 -6.578 -1.551 6.308 1.00 0.00 N ATOM 170 CA VAL A 12 -7.828 -0.788 6.127 1.00 0.00 C ATOM 171 C VAL A 12 -8.891 -1.641 5.412 1.00 0.00 C ATOM 172 O VAL A 12 -8.598 -2.740 4.935 1.00 0.00 O ATOM 173 CB VAL A 12 -7.565 0.556 5.406 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.651 1.465 6.235 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.949 0.386 4.010 1.00 0.00 C ATOM 0 H VAL A 12 -6.203 -1.888 5.422 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.226 -0.541 7.111 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.547 1.014 5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.486 2.400 5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.121 1.674 7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.695 0.968 6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.791 1.366 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.994 -0.133 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.624 -0.196 3.383 1.00 0.00 H new ATOM 185 N THR A 13 -10.138 -1.162 5.363 1.00 0.00 N ATOM 186 CA THR A 13 -11.295 -1.822 4.717 1.00 0.00 C ATOM 187 C THR A 13 -12.146 -0.816 3.931 1.00 0.00 C ATOM 188 O THR A 13 -11.952 0.391 4.060 1.00 0.00 O ATOM 189 CB THR A 13 -12.190 -2.526 5.753 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.823 -1.581 6.590 1.00 0.00 O ATOM 191 CG2 THR A 13 -11.452 -3.531 6.638 1.00 0.00 C ATOM 0 H THR A 13 -10.387 -0.268 5.787 1.00 0.00 H new ATOM 0 HA THR A 13 -10.887 -2.563 4.030 1.00 0.00 H new ATOM 0 HB THR A 13 -12.919 -3.081 5.163 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.178 -0.892 6.852 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.154 -3.982 7.340 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.011 -4.309 6.015 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.664 -3.019 7.191 1.00 0.00 H new ATOM 199 N ASP A 14 -13.161 -1.273 3.187 1.00 0.00 N ATOM 200 CA ASP A 14 -14.162 -0.388 2.557 1.00 0.00 C ATOM 201 C ASP A 14 -14.860 0.553 3.568 1.00 0.00 C ATOM 202 O ASP A 14 -15.251 1.669 3.217 1.00 0.00 O ATOM 203 CB ASP A 14 -15.202 -1.257 1.832 1.00 0.00 C ATOM 204 CG ASP A 14 -16.319 -0.427 1.174 1.00 0.00 C ATOM 205 OD1 ASP A 14 -16.066 0.229 0.135 1.00 0.00 O ATOM 206 OD2 ASP A 14 -17.465 -0.453 1.683 1.00 0.00 O ATOM 0 H ASP A 14 -13.316 -2.264 3.002 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.640 0.258 1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.702 -1.854 1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.645 -1.955 2.543 1.00 0.00 H new ATOM 211 N ALA A 15 -14.968 0.138 4.836 1.00 0.00 N ATOM 212 CA ALA A 15 -15.547 0.923 5.926 1.00 0.00 C ATOM 213 C ALA A 15 -14.575 1.948 6.558 1.00 0.00 C ATOM 214 O ALA A 15 -15.025 2.818 7.310 1.00 0.00 O ATOM 215 CB ALA A 15 -16.102 -0.054 6.970 1.00 0.00 C ATOM 0 H ALA A 15 -14.644 -0.781 5.138 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.345 1.539 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.541 0.506 7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.866 -0.682 6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.294 -0.682 7.346 1.00 0.00 H new ATOM 221 N SER A 16 -13.263 1.863 6.280 1.00 0.00 N ATOM 222 CA SER A 16 -12.220 2.696 6.911 1.00 0.00 C ATOM 223 C SER A 16 -11.194 3.335 5.962 1.00 0.00 C ATOM 224 O SER A 16 -10.383 4.144 6.411 1.00 0.00 O ATOM 225 CB SER A 16 -11.503 1.914 8.016 1.00 0.00 C ATOM 226 OG SER A 16 -10.943 0.699 7.530 1.00 0.00 O ATOM 0 H SER A 16 -12.889 1.202 5.599 1.00 0.00 H new ATOM 0 HA SER A 16 -12.770 3.541 7.326 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.713 2.532 8.444 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.206 1.694 8.819 1.00 0.00 H new ATOM 0 HG SER A 16 -9.991 0.831 7.339 1.00 0.00 H new ATOM 232 N PHE A 17 -11.218 3.044 4.657 1.00 0.00 N ATOM 233 CA PHE A 17 -10.246 3.583 3.698 1.00 0.00 C ATOM 234 C PHE A 17 -10.290 5.117 3.649 1.00 0.00 C ATOM 235 O PHE A 17 -9.252 5.768 3.737 1.00 0.00 O ATOM 236 CB PHE A 17 -10.490 2.967 2.310 1.00 0.00 C ATOM 237 CG PHE A 17 -9.375 3.202 1.305 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.235 4.448 0.660 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.485 2.156 0.992 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.208 4.645 -0.282 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.479 2.345 0.028 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.337 3.591 -0.604 1.00 0.00 C ATOM 0 H PHE A 17 -11.912 2.428 4.235 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.244 3.310 4.030 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.636 1.893 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.417 3.373 1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.917 5.253 0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.576 1.204 1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.089 5.607 -0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.815 1.532 -0.226 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.558 3.739 -1.338 1.00 0.00 H new ATOM 252 N ALA A 18 -11.478 5.724 3.578 1.00 0.00 N ATOM 253 CA ALA A 18 -11.595 7.181 3.515 1.00 0.00 C ATOM 254 C ALA A 18 -11.197 7.871 4.837 1.00 0.00 C ATOM 255 O ALA A 18 -10.524 8.903 4.815 1.00 0.00 O ATOM 256 CB ALA A 18 -13.013 7.545 3.069 1.00 0.00 C ATOM 0 H ALA A 18 -12.370 5.229 3.563 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.883 7.557 2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.111 8.629 3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.206 7.117 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.733 7.148 3.785 1.00 0.00 H new ATOM 262 N THR A 19 -11.560 7.298 5.985 1.00 0.00 N ATOM 263 CA THR A 19 -11.275 7.819 7.329 1.00 0.00 C ATOM 264 C THR A 19 -9.853 7.549 7.833 1.00 0.00 C ATOM 265 O THR A 19 -9.407 8.223 8.763 1.00 0.00 O ATOM 266 CB THR A 19 -12.305 7.261 8.329 1.00 0.00 C ATOM 267 OG1 THR A 19 -12.726 5.957 7.979 1.00 0.00 O ATOM 268 CG2 THR A 19 -13.555 8.137 8.373 1.00 0.00 C ATOM 0 H THR A 19 -12.082 6.422 6.008 1.00 0.00 H new ATOM 0 HA THR A 19 -11.354 8.903 7.252 1.00 0.00 H new ATOM 0 HB THR A 19 -11.806 7.245 9.298 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.377 5.636 8.637 1.00 0.00 H new ATOM 0 HG21 THR A 19 -14.266 7.721 9.087 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.281 9.146 8.680 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.011 8.170 7.384 1.00 0.00 H new ATOM 276 N ASP A 20 -9.114 6.619 7.223 1.00 0.00 N ATOM 277 CA ASP A 20 -7.701 6.357 7.528 1.00 0.00 C ATOM 278 C ASP A 20 -6.747 6.943 6.471 1.00 0.00 C ATOM 279 O ASP A 20 -5.817 7.672 6.816 1.00 0.00 O ATOM 280 CB ASP A 20 -7.478 4.852 7.710 1.00 0.00 C ATOM 281 CG ASP A 20 -6.072 4.578 8.263 1.00 0.00 C ATOM 282 OD1 ASP A 20 -5.912 4.565 9.508 1.00 0.00 O ATOM 283 OD2 ASP A 20 -5.132 4.391 7.458 1.00 0.00 O ATOM 0 H ASP A 20 -9.485 6.015 6.490 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.464 6.867 8.462 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.228 4.447 8.390 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.605 4.342 6.755 1.00 0.00 H new ATOM 288 N VAL A 21 -6.989 6.659 5.185 1.00 0.00 N ATOM 289 CA VAL A 21 -6.103 7.028 4.067 1.00 0.00 C ATOM 290 C VAL A 21 -6.360 8.468 3.610 1.00 0.00 C ATOM 291 O VAL A 21 -5.470 9.315 3.667 1.00 0.00 O ATOM 292 CB VAL A 21 -6.244 6.043 2.880 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.176 6.272 1.810 1.00 0.00 C ATOM 294 CG2 VAL A 21 -6.140 4.574 3.313 1.00 0.00 C ATOM 0 H VAL A 21 -7.823 6.156 4.883 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.078 6.964 4.432 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.237 6.241 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.315 5.558 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.263 7.286 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.187 6.135 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.246 3.929 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.170 4.399 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.931 4.349 4.029 1.00 0.00 H new ATOM 304 N LEU A 22 -7.592 8.772 3.186 1.00 0.00 N ATOM 305 CA LEU A 22 -7.929 10.064 2.563 1.00 0.00 C ATOM 306 C LEU A 22 -8.071 11.207 3.585 1.00 0.00 C ATOM 307 O LEU A 22 -7.830 12.369 3.257 1.00 0.00 O ATOM 308 CB LEU A 22 -9.186 9.923 1.685 1.00 0.00 C ATOM 309 CG LEU A 22 -9.132 8.775 0.659 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.434 8.731 -0.140 1.00 0.00 C ATOM 311 CD2 LEU A 22 -7.970 8.887 -0.327 1.00 0.00 C ATOM 0 H LEU A 22 -8.384 8.134 3.263 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.090 10.343 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.049 9.772 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.347 10.860 1.152 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.986 7.863 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.389 7.917 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.272 8.568 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.571 9.676 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.997 8.045 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.056 9.818 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.027 8.878 0.220 1.00 0.00 H new ATOM 323 N SER A 23 -8.410 10.873 4.832 1.00 0.00 N ATOM 324 CA SER A 23 -8.492 11.811 5.964 1.00 0.00 C ATOM 325 C SER A 23 -7.123 12.162 6.577 1.00 0.00 C ATOM 326 O SER A 23 -7.045 13.050 7.430 1.00 0.00 O ATOM 327 CB SER A 23 -9.434 11.270 7.040 1.00 0.00 C ATOM 328 OG SER A 23 -10.755 11.196 6.527 1.00 0.00 O ATOM 0 H SER A 23 -8.643 9.915 5.094 1.00 0.00 H new ATOM 0 HA SER A 23 -8.892 12.740 5.559 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.103 10.283 7.363 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.410 11.917 7.917 1.00 0.00 H new ATOM 0 HG SER A 23 -10.812 10.468 5.873 1.00 0.00 H new ATOM 334 N SER A 24 -6.042 11.476 6.180 1.00 0.00 N ATOM 335 CA SER A 24 -4.695 11.679 6.734 1.00 0.00 C ATOM 336 C SER A 24 -4.099 13.049 6.386 1.00 0.00 C ATOM 337 O SER A 24 -4.203 13.521 5.249 1.00 0.00 O ATOM 338 CB SER A 24 -3.742 10.580 6.259 1.00 0.00 C ATOM 339 OG SER A 24 -2.508 10.711 6.943 1.00 0.00 O ATOM 0 H SER A 24 -6.078 10.757 5.458 1.00 0.00 H new ATOM 0 HA SER A 24 -4.808 11.635 7.817 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.175 9.598 6.449 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.586 10.656 5.183 1.00 0.00 H new ATOM 0 HG SER A 24 -1.893 10.009 6.645 1.00 0.00 H new ATOM 345 N ASN A 25 -3.416 13.662 7.359 1.00 0.00 N ATOM 346 CA ASN A 25 -2.661 14.913 7.206 1.00 0.00 C ATOM 347 C ASN A 25 -1.207 14.707 6.717 1.00 0.00 C ATOM 348 O ASN A 25 -0.449 15.677 6.614 1.00 0.00 O ATOM 349 CB ASN A 25 -2.741 15.701 8.527 1.00 0.00 C ATOM 350 CG ASN A 25 -1.964 15.046 9.660 1.00 0.00 C ATOM 351 OD1 ASN A 25 -2.490 14.248 10.423 1.00 0.00 O ATOM 352 ND2 ASN A 25 -0.689 15.334 9.791 1.00 0.00 N ATOM 0 H ASN A 25 -3.371 13.289 8.307 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.122 15.497 6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.357 16.708 8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.786 15.801 8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.139 14.892 10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.249 15.999 9.156 1.00 0.00 H new ATOM 359 N LYS A 26 -0.803 13.459 6.443 1.00 0.00 N ATOM 360 CA LYS A 26 0.523 13.060 5.931 1.00 0.00 C ATOM 361 C LYS A 26 0.396 12.098 4.732 1.00 0.00 C ATOM 362 O LYS A 26 -0.692 11.567 4.498 1.00 0.00 O ATOM 363 CB LYS A 26 1.372 12.466 7.077 1.00 0.00 C ATOM 364 CG LYS A 26 0.780 11.180 7.681 1.00 0.00 C ATOM 365 CD LYS A 26 1.708 10.485 8.687 1.00 0.00 C ATOM 366 CE LYS A 26 2.948 9.879 8.010 1.00 0.00 C ATOM 367 NZ LYS A 26 3.581 8.852 8.874 1.00 0.00 N ATOM 0 H LYS A 26 -1.420 12.658 6.578 1.00 0.00 H new ATOM 0 HA LYS A 26 1.040 13.944 5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.374 12.254 6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.477 13.212 7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.161 11.421 8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.547 10.484 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.024 11.203 9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.157 9.699 9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.664 9.432 7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.668 10.667 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.502 8.582 8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.718 9.239 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.967 8.014 8.925 1.00 0.00 H new ATOM 381 N PRO A 27 1.470 11.853 3.958 1.00 0.00 N ATOM 382 CA PRO A 27 1.431 10.898 2.851 1.00 0.00 C ATOM 383 C PRO A 27 1.236 9.453 3.337 1.00 0.00 C ATOM 384 O PRO A 27 1.741 9.066 4.396 1.00 0.00 O ATOM 385 CB PRO A 27 2.738 11.085 2.074 1.00 0.00 C ATOM 386 CG PRO A 27 3.235 12.460 2.523 1.00 0.00 C ATOM 387 CD PRO A 27 2.753 12.539 3.966 1.00 0.00 C ATOM 0 HA PRO A 27 0.573 11.086 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.459 10.302 2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.572 11.052 0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.320 12.540 2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.817 13.260 1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.456 12.059 4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.648 13.573 4.294 1.00 0.00 H new ATOM 395 N VAL A 28 0.492 8.650 2.574 1.00 0.00 N ATOM 396 CA VAL A 28 0.096 7.287 2.947 1.00 0.00 C ATOM 397 C VAL A 28 0.068 6.354 1.734 1.00 0.00 C ATOM 398 O VAL A 28 -0.558 6.635 0.711 1.00 0.00 O ATOM 399 CB VAL A 28 -1.223 7.294 3.748 1.00 0.00 C ATOM 400 CG1 VAL A 28 -2.346 8.078 3.064 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.720 5.879 4.079 1.00 0.00 C ATOM 0 H VAL A 28 0.140 8.933 1.660 1.00 0.00 H new ATOM 0 HA VAL A 28 0.857 6.879 3.612 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.972 7.806 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.244 8.042 3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.038 9.115 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.557 7.636 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.651 5.943 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.893 5.329 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.969 5.360 4.675 1.00 0.00 H new ATOM 411 N LEU A 29 0.771 5.232 1.869 1.00 0.00 N ATOM 412 CA LEU A 29 0.917 4.158 0.892 1.00 0.00 C ATOM 413 C LEU A 29 -0.044 3.023 1.275 1.00 0.00 C ATOM 414 O LEU A 29 -0.031 2.585 2.423 1.00 0.00 O ATOM 415 CB LEU A 29 2.397 3.717 0.934 1.00 0.00 C ATOM 416 CG LEU A 29 2.941 2.959 -0.288 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.394 2.584 -0.006 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.189 1.666 -0.607 1.00 0.00 C ATOM 0 H LEU A 29 1.290 5.037 2.725 1.00 0.00 H new ATOM 0 HA LEU A 29 0.668 4.468 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.010 4.606 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.536 3.086 1.812 1.00 0.00 H new ATOM 0 HG LEU A 29 2.823 3.623 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.803 2.044 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.977 3.489 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.441 1.951 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.635 1.192 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.253 0.989 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.143 1.894 -0.811 1.00 0.00 H new ATOM 430 N VAL A 30 -0.857 2.530 0.343 1.00 0.00 N ATOM 431 CA VAL A 30 -1.727 1.360 0.533 1.00 0.00 C ATOM 432 C VAL A 30 -1.369 0.259 -0.469 1.00 0.00 C ATOM 433 O VAL A 30 -1.322 0.502 -1.675 1.00 0.00 O ATOM 434 CB VAL A 30 -3.225 1.716 0.448 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.051 0.584 1.083 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.591 3.027 1.154 1.00 0.00 C ATOM 0 H VAL A 30 -0.935 2.939 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.551 0.990 1.543 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.448 1.843 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.111 0.831 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.865 -0.347 0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.762 0.465 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.661 3.210 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.336 2.955 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.037 3.850 0.703 1.00 0.00 H new ATOM 446 N ASP A 31 -1.125 -0.954 0.023 1.00 0.00 N ATOM 447 CA ASP A 31 -0.806 -2.141 -0.779 1.00 0.00 C ATOM 448 C ASP A 31 -2.001 -3.111 -0.866 1.00 0.00 C ATOM 449 O ASP A 31 -2.446 -3.685 0.132 1.00 0.00 O ATOM 450 CB ASP A 31 0.484 -2.776 -0.235 1.00 0.00 C ATOM 451 CG ASP A 31 0.766 -4.176 -0.805 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.699 -4.342 -2.043 1.00 0.00 O ATOM 453 OD2 ASP A 31 1.079 -5.091 -0.006 1.00 0.00 O ATOM 0 H ASP A 31 -1.144 -1.148 1.024 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.618 -1.855 -1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.326 -2.123 -0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.418 -2.841 0.851 1.00 0.00 H new ATOM 458 N PHE A 32 -2.523 -3.281 -2.081 1.00 0.00 N ATOM 459 CA PHE A 32 -3.540 -4.260 -2.458 1.00 0.00 C ATOM 460 C PHE A 32 -2.858 -5.601 -2.740 1.00 0.00 C ATOM 461 O PHE A 32 -2.053 -5.723 -3.669 1.00 0.00 O ATOM 462 CB PHE A 32 -4.333 -3.744 -3.667 1.00 0.00 C ATOM 463 CG PHE A 32 -4.943 -2.373 -3.441 1.00 0.00 C ATOM 464 CD1 PHE A 32 -5.999 -2.228 -2.527 1.00 0.00 C ATOM 465 CD2 PHE A 32 -4.452 -1.243 -4.120 1.00 0.00 C ATOM 466 CE1 PHE A 32 -6.552 -0.959 -2.271 1.00 0.00 C ATOM 467 CE2 PHE A 32 -5.028 0.019 -3.895 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.069 0.166 -2.961 1.00 0.00 C ATOM 0 H PHE A 32 -2.230 -2.707 -2.872 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.251 -4.408 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.674 -3.703 -4.535 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.126 -4.453 -3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.390 -3.096 -2.017 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.632 -1.345 -4.815 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.345 -0.850 -1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.670 0.879 -4.441 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.496 1.140 -2.775 1.00 0.00 H new ATOM 478 N TRP A 33 -3.151 -6.592 -1.900 1.00 0.00 N ATOM 479 CA TRP A 33 -2.388 -7.840 -1.796 1.00 0.00 C ATOM 480 C TRP A 33 -3.284 -9.042 -1.465 1.00 0.00 C ATOM 481 O TRP A 33 -4.480 -8.882 -1.230 1.00 0.00 O ATOM 482 CB TRP A 33 -1.301 -7.656 -0.724 1.00 0.00 C ATOM 483 CG TRP A 33 -1.759 -7.821 0.694 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.614 -7.001 1.341 1.00 0.00 C ATOM 485 CD2 TRP A 33 -1.426 -8.879 1.647 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.882 -7.503 2.597 1.00 0.00 N ATOM 487 CE2 TRP A 33 -2.167 -8.654 2.846 1.00 0.00 C ATOM 488 CE3 TRP A 33 -0.563 -9.997 1.632 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -2.067 -9.494 3.962 1.00 0.00 C ATOM 490 CZ3 TRP A 33 -0.449 -10.846 2.750 1.00 0.00 C ATOM 491 CH2 TRP A 33 -1.208 -10.605 3.909 1.00 0.00 C ATOM 0 H TRP A 33 -3.942 -6.551 -1.258 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.932 -8.056 -2.762 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.502 -8.372 -0.915 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.870 -6.661 -0.835 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.026 -6.089 0.936 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.529 -7.075 3.259 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.020 -10.205 0.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.643 -9.291 4.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.226 -11.688 2.717 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.131 -11.271 4.755 1.00 0.00 H new ATOM 502 N ALA A 34 -2.705 -10.243 -1.402 1.00 0.00 N ATOM 503 CA ALA A 34 -3.339 -11.394 -0.764 1.00 0.00 C ATOM 504 C ALA A 34 -2.314 -12.335 -0.128 1.00 0.00 C ATOM 505 O ALA A 34 -1.223 -12.542 -0.670 1.00 0.00 O ATOM 506 CB ALA A 34 -4.184 -12.161 -1.783 1.00 0.00 C ATOM 0 H ALA A 34 -1.784 -10.443 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.978 -11.013 0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.652 -13.017 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.956 -11.504 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.547 -12.509 -2.596 1.00 0.00 H new ATOM 512 N THR A 35 -2.700 -12.991 0.968 1.00 0.00 N ATOM 513 CA THR A 35 -1.879 -14.034 1.610 1.00 0.00 C ATOM 514 C THR A 35 -1.674 -15.280 0.725 1.00 0.00 C ATOM 515 O THR A 35 -0.712 -16.025 0.916 1.00 0.00 O ATOM 516 CB THR A 35 -2.445 -14.378 2.998 1.00 0.00 C ATOM 517 OG1 THR A 35 -1.469 -15.056 3.762 1.00 0.00 O ATOM 518 CG2 THR A 35 -3.711 -15.237 2.956 1.00 0.00 C ATOM 0 H THR A 35 -3.588 -12.819 1.439 1.00 0.00 H new ATOM 0 HA THR A 35 -0.878 -13.624 1.745 1.00 0.00 H new ATOM 0 HB THR A 35 -2.715 -13.425 3.452 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.836 -15.271 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.049 -15.437 3.973 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.492 -14.707 2.412 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.495 -16.180 2.454 1.00 0.00 H new ATOM 526 N TRP A 36 -2.511 -15.481 -0.304 1.00 0.00 N ATOM 527 CA TRP A 36 -2.347 -16.539 -1.313 1.00 0.00 C ATOM 528 C TRP A 36 -1.359 -16.204 -2.451 1.00 0.00 C ATOM 529 O TRP A 36 -1.099 -17.061 -3.299 1.00 0.00 O ATOM 530 CB TRP A 36 -3.726 -16.981 -1.841 1.00 0.00 C ATOM 531 CG TRP A 36 -4.698 -15.945 -2.349 1.00 0.00 C ATOM 532 CD1 TRP A 36 -5.863 -15.631 -1.734 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.679 -15.135 -3.578 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.577 -14.732 -2.497 1.00 0.00 N ATOM 535 CE2 TRP A 36 -5.897 -14.385 -3.639 1.00 0.00 C ATOM 536 CE3 TRP A 36 -3.767 -14.930 -4.641 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.204 -13.507 -4.689 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.040 -14.006 -5.673 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.265 -13.316 -5.714 1.00 0.00 C ATOM 0 H TRP A 36 -3.336 -14.902 -0.461 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.874 -17.379 -0.804 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.553 -17.690 -2.651 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.222 -17.528 -1.039 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.186 -16.028 -0.783 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.496 -14.369 -2.245 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.845 -15.491 -4.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.150 -12.985 -4.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.300 -13.827 -6.439 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.482 -12.643 -6.530 1.00 0.00 H new ATOM 550 N CYS A 37 -0.803 -14.985 -2.500 1.00 0.00 N ATOM 551 CA CYS A 37 -0.048 -14.481 -3.653 1.00 0.00 C ATOM 552 C CYS A 37 1.476 -14.410 -3.408 1.00 0.00 C ATOM 553 O CYS A 37 1.958 -13.675 -2.543 1.00 0.00 O ATOM 554 CB CYS A 37 -0.657 -13.131 -4.037 1.00 0.00 C ATOM 555 SG CYS A 37 0.030 -12.567 -5.615 1.00 0.00 S ATOM 0 H CYS A 37 -0.866 -14.316 -1.733 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.136 -15.182 -4.483 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.741 -13.220 -4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.452 -12.396 -3.259 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.930 -12.427 -6.481 1.00 0.00 H new ATOM 561 N GLY A 38 2.253 -15.138 -4.219 1.00 0.00 N ATOM 562 CA GLY A 38 3.722 -15.198 -4.141 1.00 0.00 C ATOM 563 C GLY A 38 4.441 -13.843 -4.274 1.00 0.00 C ATOM 564 O GLY A 38 5.218 -13.497 -3.379 1.00 0.00 O ATOM 0 H GLY A 38 1.871 -15.717 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.001 -15.647 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.085 -15.862 -4.925 1.00 0.00 H new ATOM 568 N PRO A 39 4.183 -13.018 -5.310 1.00 0.00 N ATOM 569 CA PRO A 39 4.783 -11.684 -5.401 1.00 0.00 C ATOM 570 C PRO A 39 4.307 -10.726 -4.293 1.00 0.00 C ATOM 571 O PRO A 39 5.064 -9.837 -3.901 1.00 0.00 O ATOM 572 CB PRO A 39 4.489 -11.188 -6.821 1.00 0.00 C ATOM 573 CG PRO A 39 3.271 -11.999 -7.258 1.00 0.00 C ATOM 574 CD PRO A 39 3.463 -13.333 -6.538 1.00 0.00 C ATOM 0 HA PRO A 39 5.859 -11.726 -5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.280 -10.118 -6.834 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.337 -11.355 -7.485 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.339 -11.515 -6.967 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.239 -12.126 -8.340 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.504 -13.802 -6.320 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.027 -14.033 -7.154 1.00 0.00 H new ATOM 582 N CYS A 40 3.125 -10.932 -3.694 1.00 0.00 N ATOM 583 CA CYS A 40 2.745 -10.215 -2.470 1.00 0.00 C ATOM 584 C CYS A 40 3.642 -10.605 -1.284 1.00 0.00 C ATOM 585 O CYS A 40 4.154 -9.721 -0.596 1.00 0.00 O ATOM 586 CB CYS A 40 1.268 -10.439 -2.136 1.00 0.00 C ATOM 587 SG CYS A 40 0.216 -9.750 -3.441 1.00 0.00 S ATOM 0 H CYS A 40 2.420 -11.585 -4.035 1.00 0.00 H new ATOM 0 HA CYS A 40 2.892 -9.151 -2.657 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.071 -11.505 -2.026 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.029 -9.970 -1.181 1.00 0.00 H new ATOM 0 HG CYS A 40 0.110 -10.609 -4.411 1.00 0.00 H new ATOM 593 N LYS A 41 3.912 -11.906 -1.081 1.00 0.00 N ATOM 594 CA LYS A 41 4.883 -12.382 -0.068 1.00 0.00 C ATOM 595 C LYS A 41 6.306 -11.867 -0.333 1.00 0.00 C ATOM 596 O LYS A 41 7.047 -11.624 0.616 1.00 0.00 O ATOM 597 CB LYS A 41 4.887 -13.922 0.003 1.00 0.00 C ATOM 598 CG LYS A 41 3.555 -14.559 0.428 1.00 0.00 C ATOM 599 CD LYS A 41 3.209 -14.346 1.907 1.00 0.00 C ATOM 600 CE LYS A 41 1.845 -14.992 2.166 1.00 0.00 C ATOM 601 NZ LYS A 41 1.433 -14.909 3.590 1.00 0.00 N ATOM 0 H LYS A 41 3.468 -12.657 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 41 4.559 -11.977 0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.164 -14.314 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.661 -14.236 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.754 -14.147 -0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.594 -15.629 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.971 -14.793 2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.179 -13.282 2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.093 -14.505 1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.880 -16.038 1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.396 -14.954 3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.848 -15.703 4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.766 -14.012 3.996 1.00 0.00 H new ATOM 615 N MET A 42 6.674 -11.653 -1.600 1.00 0.00 N ATOM 616 CA MET A 42 7.969 -11.085 -2.002 1.00 0.00 C ATOM 617 C MET A 42 8.110 -9.591 -1.653 1.00 0.00 C ATOM 618 O MET A 42 9.162 -9.183 -1.160 1.00 0.00 O ATOM 619 CB MET A 42 8.181 -11.327 -3.505 1.00 0.00 C ATOM 620 CG MET A 42 9.581 -10.926 -3.979 1.00 0.00 C ATOM 621 SD MET A 42 9.844 -11.178 -5.755 1.00 0.00 S ATOM 622 CE MET A 42 11.523 -10.508 -5.905 1.00 0.00 C ATOM 0 H MET A 42 6.070 -11.873 -2.392 1.00 0.00 H new ATOM 0 HA MET A 42 8.746 -11.593 -1.432 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.016 -12.382 -3.725 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.437 -10.764 -4.068 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.750 -9.876 -3.740 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.322 -11.502 -3.425 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.853 -10.581 -6.941 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.527 -9.463 -5.596 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.200 -11.077 -5.268 1.00 0.00 H new ATOM 632 N VAL A 43 7.074 -8.769 -1.882 1.00 0.00 N ATOM 633 CA VAL A 43 7.126 -7.309 -1.632 1.00 0.00 C ATOM 634 C VAL A 43 6.763 -6.912 -0.194 1.00 0.00 C ATOM 635 O VAL A 43 7.226 -5.878 0.282 1.00 0.00 O ATOM 636 CB VAL A 43 6.310 -6.542 -2.696 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.798 -6.618 -2.478 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.721 -5.069 -2.792 1.00 0.00 C ATOM 0 H VAL A 43 6.177 -9.091 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 43 8.169 -7.009 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 43 6.544 -7.048 -3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.289 -6.057 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.478 -7.659 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.549 -6.191 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.119 -4.572 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.562 -4.583 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.775 -5.002 -3.062 1.00 0.00 H new ATOM 648 N ALA A 44 6.012 -7.742 0.539 1.00 0.00 N ATOM 649 CA ALA A 44 5.646 -7.520 1.944 1.00 0.00 C ATOM 650 C ALA A 44 6.824 -7.165 2.883 1.00 0.00 C ATOM 651 O ALA A 44 6.707 -6.153 3.577 1.00 0.00 O ATOM 652 CB ALA A 44 4.861 -8.739 2.448 1.00 0.00 C ATOM 0 H ALA A 44 5.632 -8.610 0.162 1.00 0.00 H new ATOM 0 HA ALA A 44 5.023 -6.626 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.583 -8.587 3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.960 -8.866 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.481 -9.631 2.364 1.00 0.00 H new ATOM 658 N PRO A 45 7.966 -7.888 2.917 1.00 0.00 N ATOM 659 CA PRO A 45 9.101 -7.505 3.765 1.00 0.00 C ATOM 660 C PRO A 45 9.755 -6.184 3.325 1.00 0.00 C ATOM 661 O PRO A 45 10.263 -5.442 4.166 1.00 0.00 O ATOM 662 CB PRO A 45 10.083 -8.680 3.695 1.00 0.00 C ATOM 663 CG PRO A 45 9.772 -9.330 2.348 1.00 0.00 C ATOM 664 CD PRO A 45 8.261 -9.141 2.235 1.00 0.00 C ATOM 0 HA PRO A 45 8.772 -7.315 4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.118 -8.341 3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.934 -9.377 4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.305 -8.845 1.530 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.052 -10.383 2.331 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.949 -9.101 1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.727 -9.972 2.696 1.00 0.00 H new ATOM 672 N VAL A 46 9.701 -5.843 2.030 1.00 0.00 N ATOM 673 CA VAL A 46 10.228 -4.569 1.510 1.00 0.00 C ATOM 674 C VAL A 46 9.325 -3.408 1.941 1.00 0.00 C ATOM 675 O VAL A 46 9.816 -2.412 2.469 1.00 0.00 O ATOM 676 CB VAL A 46 10.423 -4.584 -0.022 1.00 0.00 C ATOM 677 CG1 VAL A 46 11.363 -3.458 -0.418 1.00 0.00 C ATOM 678 CG2 VAL A 46 11.028 -5.900 -0.530 1.00 0.00 C ATOM 0 H VAL A 46 9.291 -6.441 1.312 1.00 0.00 H new ATOM 0 HA VAL A 46 11.219 -4.428 1.942 1.00 0.00 H new ATOM 0 HB VAL A 46 9.435 -4.465 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.504 -3.465 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.935 -2.503 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.326 -3.598 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.142 -5.854 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.003 -6.054 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.369 -6.728 -0.270 1.00 0.00 H new ATOM 688 N LEU A 47 8.003 -3.559 1.812 1.00 0.00 N ATOM 689 CA LEU A 47 7.015 -2.606 2.331 1.00 0.00 C ATOM 690 C LEU A 47 7.065 -2.475 3.862 1.00 0.00 C ATOM 691 O LEU A 47 6.854 -1.382 4.378 1.00 0.00 O ATOM 692 CB LEU A 47 5.605 -3.034 1.886 1.00 0.00 C ATOM 693 CG LEU A 47 5.194 -2.552 0.486 1.00 0.00 C ATOM 694 CD1 LEU A 47 3.890 -3.229 0.092 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.984 -1.036 0.436 1.00 0.00 C ATOM 0 H LEU A 47 7.583 -4.358 1.337 1.00 0.00 H new ATOM 0 HA LEU A 47 7.260 -1.626 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.547 -4.122 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.882 -2.659 2.610 1.00 0.00 H new ATOM 0 HG LEU A 47 6.000 -2.809 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.591 -2.893 -0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.030 -4.310 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.114 -2.970 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.695 -0.742 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.197 -0.754 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.910 -0.531 0.710 1.00 0.00 H new ATOM 707 N GLU A 48 7.374 -3.545 4.595 1.00 0.00 N ATOM 708 CA GLU A 48 7.533 -3.511 6.054 1.00 0.00 C ATOM 709 C GLU A 48 8.786 -2.719 6.482 1.00 0.00 C ATOM 710 O GLU A 48 8.732 -1.928 7.429 1.00 0.00 O ATOM 711 CB GLU A 48 7.556 -4.953 6.586 1.00 0.00 C ATOM 712 CG GLU A 48 7.406 -4.991 8.106 1.00 0.00 C ATOM 713 CD GLU A 48 7.374 -6.431 8.654 1.00 0.00 C ATOM 714 OE1 GLU A 48 8.359 -7.187 8.465 1.00 0.00 O ATOM 715 OE2 GLU A 48 6.372 -6.804 9.310 1.00 0.00 O ATOM 0 H GLU A 48 7.523 -4.470 4.191 1.00 0.00 H new ATOM 0 HA GLU A 48 6.685 -2.983 6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.750 -5.525 6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.492 -5.433 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.233 -4.448 8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.489 -4.475 8.392 1.00 0.00 H new ATOM 722 N GLU A 49 9.894 -2.846 5.744 1.00 0.00 N ATOM 723 CA GLU A 49 11.056 -1.967 5.912 1.00 0.00 C ATOM 724 C GLU A 49 10.715 -0.509 5.581 1.00 0.00 C ATOM 725 O GLU A 49 11.044 0.373 6.368 1.00 0.00 O ATOM 726 CB GLU A 49 12.235 -2.428 5.048 1.00 0.00 C ATOM 727 CG GLU A 49 12.968 -3.642 5.631 1.00 0.00 C ATOM 728 CD GLU A 49 14.175 -4.052 4.763 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.843 -3.159 4.182 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.482 -5.267 4.677 1.00 0.00 O ATOM 0 H GLU A 49 10.010 -3.555 5.020 1.00 0.00 H new ATOM 0 HA GLU A 49 11.344 -2.026 6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.872 -2.675 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.940 -1.604 4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.308 -3.411 6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.276 -4.480 5.711 1.00 0.00 H new ATOM 737 N ILE A 50 10.009 -0.231 4.477 1.00 0.00 N ATOM 738 CA ILE A 50 9.543 1.130 4.152 1.00 0.00 C ATOM 739 C ILE A 50 8.639 1.676 5.274 1.00 0.00 C ATOM 740 O ILE A 50 8.813 2.819 5.688 1.00 0.00 O ATOM 741 CB ILE A 50 8.829 1.144 2.777 1.00 0.00 C ATOM 742 CG1 ILE A 50 9.775 0.811 1.598 1.00 0.00 C ATOM 743 CG2 ILE A 50 8.106 2.473 2.501 1.00 0.00 C ATOM 744 CD1 ILE A 50 10.822 1.873 1.242 1.00 0.00 C ATOM 0 H ILE A 50 9.745 -0.934 3.787 1.00 0.00 H new ATOM 0 HA ILE A 50 10.407 1.791 4.080 1.00 0.00 H new ATOM 0 HB ILE A 50 8.084 0.351 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.296 -0.118 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.166 0.622 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.623 2.429 1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.354 2.645 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.828 3.289 2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.423 1.524 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.320 2.801 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.468 2.049 2.102 1.00 0.00 H new ATOM 756 N ALA A 51 7.735 0.867 5.831 1.00 0.00 N ATOM 757 CA ALA A 51 6.880 1.260 6.951 1.00 0.00 C ATOM 758 C ALA A 51 7.700 1.678 8.181 1.00 0.00 C ATOM 759 O ALA A 51 7.439 2.716 8.790 1.00 0.00 O ATOM 760 CB ALA A 51 5.952 0.088 7.302 1.00 0.00 C ATOM 0 H ALA A 51 7.575 -0.089 5.513 1.00 0.00 H new ATOM 0 HA ALA A 51 6.293 2.128 6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.310 0.370 8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.336 -0.160 6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.551 -0.779 7.582 1.00 0.00 H new ATOM 766 N THR A 52 8.704 0.871 8.531 1.00 0.00 N ATOM 767 CA THR A 52 9.524 1.057 9.737 1.00 0.00 C ATOM 768 C THR A 52 10.554 2.188 9.577 1.00 0.00 C ATOM 769 O THR A 52 10.793 2.946 10.517 1.00 0.00 O ATOM 770 CB THR A 52 10.192 -0.278 10.115 1.00 0.00 C ATOM 771 OG1 THR A 52 9.212 -1.296 10.205 1.00 0.00 O ATOM 772 CG2 THR A 52 10.887 -0.233 11.475 1.00 0.00 C ATOM 0 H THR A 52 8.977 0.058 7.979 1.00 0.00 H new ATOM 0 HA THR A 52 8.869 1.367 10.552 1.00 0.00 H new ATOM 0 HB THR A 52 10.930 -0.473 9.337 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.965 -1.593 9.304 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.338 -1.203 11.685 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.662 0.533 11.462 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.157 0.003 12.249 1.00 0.00 H new ATOM 780 N GLU A 53 11.152 2.333 8.391 1.00 0.00 N ATOM 781 CA GLU A 53 12.262 3.260 8.110 1.00 0.00 C ATOM 782 C GLU A 53 11.848 4.601 7.481 1.00 0.00 C ATOM 783 O GLU A 53 12.602 5.574 7.571 1.00 0.00 O ATOM 784 CB GLU A 53 13.292 2.564 7.208 1.00 0.00 C ATOM 785 CG GLU A 53 13.898 1.317 7.871 1.00 0.00 C ATOM 786 CD GLU A 53 15.175 0.867 7.140 1.00 0.00 C ATOM 787 OE1 GLU A 53 15.128 0.674 5.901 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.231 0.699 7.798 1.00 0.00 O ATOM 0 H GLU A 53 10.871 1.794 7.572 1.00 0.00 H new ATOM 0 HA GLU A 53 12.686 3.514 9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.816 2.279 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.089 3.266 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.129 1.532 8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.168 0.508 7.866 1.00 0.00 H new ATOM 795 N ARG A 54 10.672 4.673 6.841 1.00 0.00 N ATOM 796 CA ARG A 54 10.110 5.884 6.205 1.00 0.00 C ATOM 797 C ARG A 54 8.875 6.422 6.928 1.00 0.00 C ATOM 798 O ARG A 54 8.152 7.239 6.368 1.00 0.00 O ATOM 799 CB ARG A 54 9.901 5.690 4.681 1.00 0.00 C ATOM 800 CG ARG A 54 11.094 5.111 3.885 1.00 0.00 C ATOM 801 CD ARG A 54 12.228 6.100 3.565 1.00 0.00 C ATOM 802 NE ARG A 54 12.837 6.677 4.781 1.00 0.00 N ATOM 803 CZ ARG A 54 12.719 7.917 5.221 1.00 0.00 C ATOM 804 NH1 ARG A 54 12.239 8.871 4.485 1.00 0.00 N ATOM 805 NH2 ARG A 54 13.013 8.193 6.453 1.00 0.00 N ATOM 0 H ARG A 54 10.060 3.863 6.746 1.00 0.00 H new ATOM 0 HA ARG A 54 10.857 6.670 6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.044 5.032 4.536 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.639 6.655 4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.513 4.278 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.717 4.704 2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.997 5.590 2.985 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.839 6.904 2.941 1.00 0.00 H new ATOM 0 HE ARG A 54 13.412 6.049 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.937 8.676 3.531 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.164 9.816 4.861 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.334 7.454 7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.923 9.149 6.797 1.00 0.00 H new ATOM 819 N ALA A 55 8.680 6.050 8.197 1.00 0.00 N ATOM 820 CA ALA A 55 7.610 6.553 9.069 1.00 0.00 C ATOM 821 C ALA A 55 7.552 8.098 9.161 1.00 0.00 C ATOM 822 O ALA A 55 6.477 8.672 9.360 1.00 0.00 O ATOM 823 CB ALA A 55 7.811 5.937 10.459 1.00 0.00 C ATOM 0 H ALA A 55 9.281 5.369 8.662 1.00 0.00 H new ATOM 0 HA ALA A 55 6.654 6.258 8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.030 6.292 11.131 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.760 4.851 10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.786 6.230 10.849 1.00 0.00 H new ATOM 829 N THR A 56 8.693 8.775 8.982 1.00 0.00 N ATOM 830 CA THR A 56 8.827 10.245 8.928 1.00 0.00 C ATOM 831 C THR A 56 8.150 10.890 7.712 1.00 0.00 C ATOM 832 O THR A 56 7.809 12.073 7.752 1.00 0.00 O ATOM 833 CB THR A 56 10.318 10.636 8.902 1.00 0.00 C ATOM 834 OG1 THR A 56 11.018 9.927 7.896 1.00 0.00 O ATOM 835 CG2 THR A 56 11.008 10.314 10.229 1.00 0.00 C ATOM 0 H THR A 56 9.587 8.299 8.866 1.00 0.00 H new ATOM 0 HA THR A 56 8.324 10.616 9.821 1.00 0.00 H new ATOM 0 HB THR A 56 10.342 11.708 8.709 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.022 10.452 7.069 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.057 10.603 10.173 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.522 10.865 11.035 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.937 9.244 10.426 1.00 0.00 H new ATOM 843 N ASP A 57 7.960 10.132 6.629 1.00 0.00 N ATOM 844 CA ASP A 57 7.528 10.616 5.310 1.00 0.00 C ATOM 845 C ASP A 57 6.286 9.894 4.756 1.00 0.00 C ATOM 846 O ASP A 57 5.568 10.454 3.930 1.00 0.00 O ATOM 847 CB ASP A 57 8.708 10.461 4.344 1.00 0.00 C ATOM 848 CG ASP A 57 9.852 11.426 4.690 1.00 0.00 C ATOM 849 OD1 ASP A 57 9.832 12.582 4.209 1.00 0.00 O ATOM 850 OD2 ASP A 57 10.780 11.013 5.427 1.00 0.00 O ATOM 0 H ASP A 57 8.108 9.123 6.645 1.00 0.00 H new ATOM 0 HA ASP A 57 7.230 11.659 5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.074 9.435 4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.371 10.646 3.324 1.00 0.00 H new ATOM 855 N LEU A 58 6.024 8.668 5.217 1.00 0.00 N ATOM 856 CA LEU A 58 4.929 7.784 4.814 1.00 0.00 C ATOM 857 C LEU A 58 4.253 7.166 6.047 1.00 0.00 C ATOM 858 O LEU A 58 4.885 6.956 7.084 1.00 0.00 O ATOM 859 CB LEU A 58 5.468 6.639 3.924 1.00 0.00 C ATOM 860 CG LEU A 58 6.156 7.037 2.610 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.747 5.791 1.949 1.00 0.00 C ATOM 862 CD2 LEU A 58 5.172 7.662 1.628 1.00 0.00 C ATOM 0 H LEU A 58 6.612 8.238 5.931 1.00 0.00 H new ATOM 0 HA LEU A 58 4.204 8.379 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.177 6.057 4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.636 5.978 3.683 1.00 0.00 H new ATOM 0 HG LEU A 58 6.931 7.764 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.236 6.071 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.477 5.335 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.950 5.077 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.695 7.931 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.382 6.947 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.734 8.556 2.071 1.00 0.00 H new ATOM 874 N THR A 59 2.981 6.804 5.913 1.00 0.00 N ATOM 875 CA THR A 59 2.365 5.681 6.647 1.00 0.00 C ATOM 876 C THR A 59 2.114 4.554 5.646 1.00 0.00 C ATOM 877 O THR A 59 1.705 4.830 4.520 1.00 0.00 O ATOM 878 CB THR A 59 1.069 6.110 7.355 1.00 0.00 C ATOM 879 OG1 THR A 59 1.390 7.038 8.370 1.00 0.00 O ATOM 880 CG2 THR A 59 0.339 4.957 8.046 1.00 0.00 C ATOM 0 H THR A 59 2.333 7.282 5.287 1.00 0.00 H new ATOM 0 HA THR A 59 3.036 5.337 7.434 1.00 0.00 H new ATOM 0 HB THR A 59 0.422 6.520 6.580 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.570 7.320 8.827 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.565 5.333 8.524 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.072 4.201 7.308 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.990 4.514 8.800 1.00 0.00 H new ATOM 888 N VAL A 60 2.369 3.294 6.014 1.00 0.00 N ATOM 889 CA VAL A 60 2.185 2.138 5.113 1.00 0.00 C ATOM 890 C VAL A 60 1.045 1.248 5.608 1.00 0.00 C ATOM 891 O VAL A 60 1.066 0.743 6.732 1.00 0.00 O ATOM 892 CB VAL A 60 3.489 1.346 4.929 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.307 0.141 3.997 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.595 2.223 4.329 1.00 0.00 C ATOM 0 H VAL A 60 2.708 3.041 6.942 1.00 0.00 H new ATOM 0 HA VAL A 60 1.910 2.519 4.129 1.00 0.00 H new ATOM 0 HB VAL A 60 3.768 1.004 5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.255 -0.388 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.558 -0.532 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.979 0.486 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.504 1.633 4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.276 2.596 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.792 3.065 4.993 1.00 0.00 H new ATOM 904 N ALA A 61 0.058 1.044 4.740 1.00 0.00 N ATOM 905 CA ALA A 61 -1.168 0.296 4.977 1.00 0.00 C ATOM 906 C ALA A 61 -1.369 -0.830 3.947 1.00 0.00 C ATOM 907 O ALA A 61 -0.738 -0.858 2.887 1.00 0.00 O ATOM 908 CB ALA A 61 -2.338 1.290 4.975 1.00 0.00 C ATOM 0 H ALA A 61 0.098 1.422 3.793 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.109 -0.203 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.271 0.754 5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.189 2.028 5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.386 1.794 4.010 1.00 0.00 H new ATOM 914 N LYS A 62 -2.287 -1.750 4.250 1.00 0.00 N ATOM 915 CA LYS A 62 -2.674 -2.895 3.417 1.00 0.00 C ATOM 916 C LYS A 62 -4.191 -3.019 3.253 1.00 0.00 C ATOM 917 O LYS A 62 -4.950 -2.657 4.151 1.00 0.00 O ATOM 918 CB LYS A 62 -2.085 -4.183 4.023 1.00 0.00 C ATOM 919 CG LYS A 62 -0.737 -4.552 3.386 1.00 0.00 C ATOM 920 CD LYS A 62 -0.158 -5.813 4.042 1.00 0.00 C ATOM 921 CE LYS A 62 0.842 -6.499 3.106 1.00 0.00 C ATOM 922 NZ LYS A 62 1.246 -7.831 3.630 1.00 0.00 N ATOM 0 H LYS A 62 -2.808 -1.717 5.126 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.270 -2.735 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.955 -4.052 5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.789 -5.004 3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.867 -4.719 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.037 -3.724 3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.334 -5.549 4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.964 -6.503 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.398 -6.614 2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.724 -5.869 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.256 -7.987 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.077 -7.866 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.687 -8.572 3.162 1.00 0.00 H new ATOM 936 N LEU A 63 -4.621 -3.602 2.137 1.00 0.00 N ATOM 937 CA LEU A 63 -5.970 -4.150 1.954 1.00 0.00 C ATOM 938 C LEU A 63 -5.852 -5.532 1.291 1.00 0.00 C ATOM 939 O LEU A 63 -5.402 -5.639 0.148 1.00 0.00 O ATOM 940 CB LEU A 63 -6.809 -3.137 1.148 1.00 0.00 C ATOM 941 CG LEU A 63 -8.295 -3.540 0.972 1.00 0.00 C ATOM 942 CD1 LEU A 63 -9.193 -2.422 1.486 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.613 -3.922 -0.471 1.00 0.00 C ATOM 0 H LEU A 63 -4.030 -3.711 1.313 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.487 -4.300 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.763 -2.168 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.359 -3.012 0.163 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.488 -4.433 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.237 -2.708 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.988 -2.247 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.997 -1.510 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.664 -4.198 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.409 -3.074 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.993 -4.767 -0.769 1.00 0.00 H new ATOM 955 N ASP A 64 -6.234 -6.598 2.005 1.00 0.00 N ATOM 956 CA ASP A 64 -6.204 -7.957 1.450 1.00 0.00 C ATOM 957 C ASP A 64 -7.458 -8.165 0.591 1.00 0.00 C ATOM 958 O ASP A 64 -8.583 -8.084 1.095 1.00 0.00 O ATOM 959 CB ASP A 64 -6.073 -9.027 2.547 1.00 0.00 C ATOM 960 CG ASP A 64 -5.820 -10.436 1.970 1.00 0.00 C ATOM 961 OD1 ASP A 64 -6.591 -10.867 1.083 1.00 0.00 O ATOM 962 OD2 ASP A 64 -4.869 -11.120 2.416 1.00 0.00 O ATOM 0 H ASP A 64 -6.567 -6.546 2.968 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.318 -8.068 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.255 -8.759 3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.983 -9.041 3.147 1.00 0.00 H new ATOM 967 N VAL A 65 -7.271 -8.425 -0.703 1.00 0.00 N ATOM 968 CA VAL A 65 -8.357 -8.482 -1.692 1.00 0.00 C ATOM 969 C VAL A 65 -9.311 -9.669 -1.489 1.00 0.00 C ATOM 970 O VAL A 65 -10.440 -9.629 -1.976 1.00 0.00 O ATOM 971 CB VAL A 65 -7.811 -8.441 -3.135 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.903 -7.223 -3.368 1.00 0.00 C ATOM 973 CG2 VAL A 65 -7.049 -9.702 -3.551 1.00 0.00 C ATOM 0 H VAL A 65 -6.350 -8.605 -1.103 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.955 -7.586 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.704 -8.371 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.540 -7.231 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.469 -6.308 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.056 -7.264 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.698 -9.593 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.195 -9.846 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.710 -10.566 -3.483 1.00 0.00 H new ATOM 983 N ASP A 66 -8.902 -10.701 -0.742 1.00 0.00 N ATOM 984 CA ASP A 66 -9.780 -11.797 -0.305 1.00 0.00 C ATOM 985 C ASP A 66 -10.630 -11.423 0.926 1.00 0.00 C ATOM 986 O ASP A 66 -11.725 -11.961 1.107 1.00 0.00 O ATOM 987 CB ASP A 66 -8.930 -13.045 -0.032 1.00 0.00 C ATOM 988 CG ASP A 66 -9.796 -14.301 0.156 1.00 0.00 C ATOM 989 OD1 ASP A 66 -10.359 -14.797 -0.849 1.00 0.00 O ATOM 990 OD2 ASP A 66 -9.889 -14.816 1.297 1.00 0.00 O ATOM 0 H ASP A 66 -7.940 -10.801 -0.419 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.488 -12.003 -1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.239 -13.202 -0.860 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.326 -12.884 0.861 1.00 0.00 H new ATOM 995 N THR A 67 -10.163 -10.475 1.753 1.00 0.00 N ATOM 996 CA THR A 67 -10.872 -10.014 2.967 1.00 0.00 C ATOM 997 C THR A 67 -11.775 -8.807 2.701 1.00 0.00 C ATOM 998 O THR A 67 -12.793 -8.639 3.375 1.00 0.00 O ATOM 999 CB THR A 67 -9.911 -9.703 4.133 1.00 0.00 C ATOM 1000 OG1 THR A 67 -9.211 -8.486 3.968 1.00 0.00 O ATOM 1001 CG2 THR A 67 -8.906 -10.822 4.401 1.00 0.00 C ATOM 0 H THR A 67 -9.274 -9.999 1.600 1.00 0.00 H new ATOM 0 HA THR A 67 -11.504 -10.852 3.261 1.00 0.00 H new ATOM 0 HB THR A 67 -10.568 -9.612 4.998 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.031 -8.339 3.016 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.260 -10.540 5.233 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.440 -11.739 4.651 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.299 -10.987 3.511 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.449 -7.995 1.686 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.287 -6.905 1.192 1.00 0.00 C ATOM 1011 C ASN A 68 -12.240 -6.815 -0.355 1.00 0.00 C ATOM 1012 O ASN A 68 -11.438 -6.055 -0.908 1.00 0.00 O ATOM 1013 CB ASN A 68 -11.875 -5.601 1.897 1.00 0.00 C ATOM 1014 CG ASN A 68 -12.928 -4.537 1.677 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -12.883 -3.766 0.734 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -13.945 -4.494 2.504 1.00 0.00 N ATOM 0 H ASN A 68 -10.571 -8.084 1.175 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.333 -7.096 1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.745 -5.781 2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.914 -5.258 1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.694 -3.817 2.357 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.987 -5.137 3.295 1.00 0.00 H new ATOM 1023 N PRO A 69 -13.095 -7.560 -1.082 1.00 0.00 N ATOM 1024 CA PRO A 69 -13.149 -7.495 -2.546 1.00 0.00 C ATOM 1025 C PRO A 69 -13.729 -6.168 -3.071 1.00 0.00 C ATOM 1026 O PRO A 69 -13.498 -5.807 -4.223 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.994 -8.700 -2.968 1.00 0.00 C ATOM 1028 CG PRO A 69 -14.921 -8.922 -1.774 1.00 0.00 C ATOM 1029 CD PRO A 69 -14.039 -8.552 -0.582 1.00 0.00 C ATOM 0 HA PRO A 69 -12.148 -7.529 -2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.556 -8.497 -3.880 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -13.375 -9.576 -3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.809 -8.293 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -15.265 -9.955 -1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.636 -8.147 0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.518 -9.427 -0.194 1.00 0.00 H new ATOM 1037 N GLU A 70 -14.449 -5.408 -2.238 1.00 0.00 N ATOM 1038 CA GLU A 70 -15.067 -4.137 -2.637 1.00 0.00 C ATOM 1039 C GLU A 70 -14.019 -3.048 -2.915 1.00 0.00 C ATOM 1040 O GLU A 70 -14.057 -2.415 -3.971 1.00 0.00 O ATOM 1041 CB GLU A 70 -16.074 -3.677 -1.567 1.00 0.00 C ATOM 1042 CG GLU A 70 -17.188 -4.698 -1.278 1.00 0.00 C ATOM 1043 CD GLU A 70 -17.922 -5.135 -2.558 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -18.543 -4.285 -3.236 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -17.833 -6.321 -2.950 1.00 0.00 O ATOM 0 H GLU A 70 -14.620 -5.658 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.601 -4.306 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.536 -3.469 -0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.528 -2.740 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.759 -5.573 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.904 -4.264 -0.581 1.00 0.00 H new ATOM 1052 N THR A 71 -13.024 -2.881 -2.035 1.00 0.00 N ATOM 1053 CA THR A 71 -11.922 -1.925 -2.255 1.00 0.00 C ATOM 1054 C THR A 71 -10.935 -2.416 -3.317 1.00 0.00 C ATOM 1055 O THR A 71 -10.394 -1.608 -4.074 1.00 0.00 O ATOM 1056 CB THR A 71 -11.233 -1.483 -0.969 1.00 0.00 C ATOM 1057 OG1 THR A 71 -12.170 -1.205 0.042 1.00 0.00 O ATOM 1058 CG2 THR A 71 -10.442 -0.189 -1.168 1.00 0.00 C ATOM 0 H THR A 71 -12.956 -3.397 -1.158 1.00 0.00 H new ATOM 0 HA THR A 71 -12.387 -1.023 -2.652 1.00 0.00 H new ATOM 0 HB THR A 71 -10.576 -2.307 -0.691 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.585 -2.041 0.342 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.965 0.094 -0.230 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.679 -0.343 -1.931 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.118 0.605 -1.486 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.773 -3.739 -3.458 1.00 0.00 N ATOM 1067 CA ALA A 72 -10.039 -4.343 -4.570 1.00 0.00 C ATOM 1068 C ALA A 72 -10.635 -3.969 -5.939 1.00 0.00 C ATOM 1069 O ALA A 72 -9.905 -3.646 -6.880 1.00 0.00 O ATOM 1070 CB ALA A 72 -10.001 -5.860 -4.372 1.00 0.00 C ATOM 0 H ALA A 72 -11.150 -4.420 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.023 -3.949 -4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.456 -6.321 -5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.501 -6.092 -3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.019 -6.249 -4.348 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.969 -3.954 -6.043 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.678 -3.565 -7.268 1.00 0.00 C ATOM 1078 C ARG A 73 -12.679 -2.047 -7.488 1.00 0.00 C ATOM 1079 O ARG A 73 -12.498 -1.596 -8.618 1.00 0.00 O ATOM 1080 CB ARG A 73 -14.107 -4.130 -7.202 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.797 -4.208 -8.576 1.00 0.00 C ATOM 1082 CD ARG A 73 -16.305 -4.488 -8.470 1.00 0.00 C ATOM 1083 NE ARG A 73 -16.614 -5.631 -7.581 1.00 0.00 N ATOM 1084 CZ ARG A 73 -17.131 -5.578 -6.362 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -17.527 -4.464 -5.818 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -17.257 -6.656 -5.648 1.00 0.00 N ATOM 0 H ARG A 73 -12.590 -4.213 -5.276 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.155 -3.984 -8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.076 -5.127 -6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.706 -3.507 -6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.643 -3.270 -9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.327 -4.992 -9.169 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.810 -3.597 -8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.704 -4.689 -9.464 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.406 -6.560 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.445 -3.587 -6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.920 -4.467 -4.877 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.957 -7.555 -6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.656 -6.603 -4.711 1.00 0.00 H new ATOM 1100 N ASN A 74 -12.840 -1.261 -6.417 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.064 0.191 -6.458 1.00 0.00 C ATOM 1102 C ASN A 74 -12.003 0.980 -7.253 1.00 0.00 C ATOM 1103 O ASN A 74 -12.351 1.903 -7.991 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.143 0.703 -5.008 1.00 0.00 C ATOM 1105 CG ASN A 74 -13.469 2.187 -4.939 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -14.606 2.602 -5.115 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -12.495 3.038 -4.707 1.00 0.00 N ATOM 0 H ASN A 74 -12.817 -1.629 -5.466 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.997 0.361 -6.995 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.904 0.140 -4.467 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.193 0.518 -4.507 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.689 4.039 -4.674 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.545 2.698 -4.559 1.00 0.00 H new ATOM 1114 N PHE A 75 -10.724 0.615 -7.116 1.00 0.00 N ATOM 1115 CA PHE A 75 -9.598 1.286 -7.791 1.00 0.00 C ATOM 1116 C PHE A 75 -9.098 0.537 -9.045 1.00 0.00 C ATOM 1117 O PHE A 75 -8.055 0.889 -9.605 1.00 0.00 O ATOM 1118 CB PHE A 75 -8.486 1.551 -6.763 1.00 0.00 C ATOM 1119 CG PHE A 75 -8.899 2.440 -5.603 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -9.074 3.822 -5.808 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -9.093 1.895 -4.319 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -9.438 4.657 -4.736 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -9.450 2.733 -3.246 1.00 0.00 C ATOM 1124 CZ PHE A 75 -9.624 4.111 -3.454 1.00 0.00 C ATOM 0 H PHE A 75 -10.433 -0.165 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.950 2.241 -8.182 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.140 0.596 -6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.639 2.011 -7.273 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.928 4.243 -6.792 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.968 0.834 -4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.574 5.716 -4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.591 2.315 -2.260 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.901 4.751 -2.629 1.00 0.00 H new ATOM 1134 N GLN A 76 -9.803 -0.522 -9.467 1.00 0.00 N ATOM 1135 CA GLN A 76 -9.329 -1.533 -10.421 1.00 0.00 C ATOM 1136 C GLN A 76 -7.939 -2.069 -10.024 1.00 0.00 C ATOM 1137 O GLN A 76 -6.950 -1.921 -10.743 1.00 0.00 O ATOM 1138 CB GLN A 76 -9.440 -1.012 -11.867 1.00 0.00 C ATOM 1139 CG GLN A 76 -9.288 -2.148 -12.894 1.00 0.00 C ATOM 1140 CD GLN A 76 -9.428 -1.688 -14.348 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -9.633 -0.523 -14.670 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -9.324 -2.595 -15.298 1.00 0.00 N ATOM 0 H GLN A 76 -10.752 -0.704 -9.142 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.981 -2.406 -10.381 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.405 -0.523 -12.005 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.673 -0.258 -12.042 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.312 -2.616 -12.763 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.038 -2.912 -12.690 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.153 -3.571 -15.055 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.414 -2.321 -16.276 1.00 0.00 H new ATOM 1151 N VAL A 77 -7.860 -2.647 -8.823 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.644 -3.179 -8.188 1.00 0.00 C ATOM 1153 C VAL A 77 -6.824 -4.648 -7.772 1.00 0.00 C ATOM 1154 O VAL A 77 -6.212 -5.136 -6.822 1.00 0.00 O ATOM 1155 CB VAL A 77 -6.191 -2.272 -7.031 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.763 -0.892 -7.534 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -7.262 -2.097 -5.952 1.00 0.00 C ATOM 0 H VAL A 77 -8.684 -2.764 -8.233 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.838 -3.174 -8.922 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.338 -2.781 -6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.449 -0.278 -6.690 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.933 -1.001 -8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.602 -0.413 -8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.882 -1.447 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.153 -1.650 -6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.515 -3.069 -5.530 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.684 -5.366 -8.506 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.929 -6.809 -8.341 1.00 0.00 C ATOM 1169 C VAL A 78 -6.715 -7.661 -8.759 1.00 0.00 C ATOM 1170 O VAL A 78 -6.521 -8.759 -8.236 1.00 0.00 O ATOM 1171 CB VAL A 78 -9.198 -7.251 -9.096 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -10.453 -6.582 -8.524 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -9.149 -6.973 -10.607 1.00 0.00 C ATOM 0 H VAL A 78 -8.244 -4.951 -9.251 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.089 -6.980 -7.276 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.242 -8.331 -8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.329 -6.916 -9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.564 -6.854 -7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.360 -5.499 -8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.076 -7.311 -11.069 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.028 -5.903 -10.776 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.308 -7.507 -11.048 1.00 0.00 H new ATOM 1183 N SER A 79 -5.869 -7.138 -9.656 1.00 0.00 N ATOM 1184 CA SER A 79 -4.527 -7.659 -9.963 1.00 0.00 C ATOM 1185 C SER A 79 -3.522 -7.200 -8.901 1.00 0.00 C ATOM 1186 O SER A 79 -3.545 -6.037 -8.493 1.00 0.00 O ATOM 1187 CB SER A 79 -4.062 -7.194 -11.349 1.00 0.00 C ATOM 1188 OG SER A 79 -4.956 -7.652 -12.353 1.00 0.00 O ATOM 0 H SER A 79 -6.106 -6.313 -10.207 1.00 0.00 H new ATOM 0 HA SER A 79 -4.581 -8.748 -9.961 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.005 -6.106 -11.374 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.059 -7.571 -11.548 1.00 0.00 H new ATOM 0 HG SER A 79 -4.647 -7.346 -13.231 1.00 0.00 H new ATOM 1194 N ILE A 80 -2.647 -8.102 -8.444 1.00 0.00 N ATOM 1195 CA ILE A 80 -1.823 -7.911 -7.236 1.00 0.00 C ATOM 1196 C ILE A 80 -0.395 -8.498 -7.357 1.00 0.00 C ATOM 1197 O ILE A 80 -0.198 -9.442 -8.128 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.550 -8.500 -6.001 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -2.931 -9.986 -6.152 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -3.782 -7.655 -5.627 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.298 -10.591 -4.796 1.00 0.00 C ATOM 0 H ILE A 80 -2.486 -8.997 -8.905 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.695 -6.835 -7.115 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.828 -8.456 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.772 -10.083 -6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.098 -10.537 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.272 -8.092 -4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.468 -6.638 -5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.479 -7.637 -6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.564 -11.640 -4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.446 -10.513 -4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.146 -10.051 -4.374 1.00 0.00 H new ATOM 1213 N PRO A 81 0.603 -7.981 -6.601 1.00 0.00 N ATOM 1214 CA PRO A 81 0.529 -6.813 -5.717 1.00 0.00 C ATOM 1215 C PRO A 81 0.375 -5.508 -6.505 1.00 0.00 C ATOM 1216 O PRO A 81 1.030 -5.322 -7.532 1.00 0.00 O ATOM 1217 CB PRO A 81 1.846 -6.796 -4.930 1.00 0.00 C ATOM 1218 CG PRO A 81 2.825 -7.492 -5.872 1.00 0.00 C ATOM 1219 CD PRO A 81 1.949 -8.533 -6.566 1.00 0.00 C ATOM 0 HA PRO A 81 -0.342 -6.885 -5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.164 -5.779 -4.699 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.755 -7.325 -3.981 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.265 -6.794 -6.585 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.649 -7.955 -5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.312 -8.736 -7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.967 -9.479 -6.024 1.00 0.00 H new ATOM 1227 N THR A 82 -0.448 -4.594 -5.995 1.00 0.00 N ATOM 1228 CA THR A 82 -0.624 -3.241 -6.546 1.00 0.00 C ATOM 1229 C THR A 82 -0.607 -2.220 -5.416 1.00 0.00 C ATOM 1230 O THR A 82 -1.352 -2.335 -4.448 1.00 0.00 O ATOM 1231 CB THR A 82 -1.906 -3.119 -7.387 1.00 0.00 C ATOM 1232 OG1 THR A 82 -1.807 -3.942 -8.526 1.00 0.00 O ATOM 1233 CG2 THR A 82 -2.128 -1.705 -7.929 1.00 0.00 C ATOM 0 H THR A 82 -1.024 -4.771 -5.172 1.00 0.00 H new ATOM 0 HA THR A 82 0.208 -3.040 -7.221 1.00 0.00 H new ATOM 0 HB THR A 82 -2.724 -3.400 -6.723 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.442 -4.685 -8.449 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.047 -1.680 -8.514 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.208 -1.005 -7.097 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.287 -1.422 -8.562 1.00 0.00 H new ATOM 1241 N LEU A 83 0.251 -1.212 -5.534 1.00 0.00 N ATOM 1242 CA LEU A 83 0.474 -0.164 -4.544 1.00 0.00 C ATOM 1243 C LEU A 83 -0.121 1.148 -5.067 1.00 0.00 C ATOM 1244 O LEU A 83 0.106 1.512 -6.222 1.00 0.00 O ATOM 1245 CB LEU A 83 1.984 -0.002 -4.274 1.00 0.00 C ATOM 1246 CG LEU A 83 2.726 -1.149 -3.550 1.00 0.00 C ATOM 1247 CD1 LEU A 83 2.729 -2.499 -4.274 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.196 -0.751 -3.401 1.00 0.00 C ATOM 0 H LEU A 83 0.837 -1.098 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.012 -0.433 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.478 0.161 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.121 0.906 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 83 2.189 -1.283 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.276 -3.230 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.703 -2.839 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.210 -2.390 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.739 -1.547 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.631 -0.589 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.267 0.167 -2.818 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.823 1.883 -4.208 1.00 0.00 N ATOM 1261 CA ILE A 84 -1.247 3.273 -4.429 1.00 0.00 C ATOM 1262 C ILE A 84 -0.658 4.148 -3.320 1.00 0.00 C ATOM 1263 O ILE A 84 -0.624 3.749 -2.158 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.790 3.373 -4.528 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -3.305 4.772 -4.931 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.476 2.968 -3.212 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -2.942 5.175 -6.365 1.00 0.00 C ATOM 0 H ILE A 84 -1.126 1.519 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.867 3.637 -5.384 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.051 2.675 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.389 4.796 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.898 5.511 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.557 3.052 -3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.216 1.938 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.142 3.626 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.338 6.169 -6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.858 5.185 -6.477 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.372 4.458 -7.064 1.00 0.00 H new ATOM 1279 N LEU A 85 -0.170 5.334 -3.664 1.00 0.00 N ATOM 1280 CA LEU A 85 0.387 6.295 -2.717 1.00 0.00 C ATOM 1281 C LEU A 85 -0.298 7.653 -2.882 1.00 0.00 C ATOM 1282 O LEU A 85 -0.351 8.210 -3.980 1.00 0.00 O ATOM 1283 CB LEU A 85 1.915 6.267 -2.872 1.00 0.00 C ATOM 1284 CG LEU A 85 2.749 7.292 -2.087 1.00 0.00 C ATOM 1285 CD1 LEU A 85 2.388 7.454 -0.616 1.00 0.00 C ATOM 1286 CD2 LEU A 85 4.216 6.864 -2.131 1.00 0.00 C ATOM 0 H LEU A 85 -0.150 5.662 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 85 0.186 6.039 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.259 5.272 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.144 6.394 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 85 2.545 8.247 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.039 8.201 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.350 7.776 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.516 6.501 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.821 7.582 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.321 5.877 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.553 6.827 -3.167 1.00 0.00 H new ATOM 1298 N PHE A 86 -0.835 8.155 -1.770 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.493 9.449 -1.626 1.00 0.00 C ATOM 1300 C PHE A 86 -0.587 10.430 -0.869 1.00 0.00 C ATOM 1301 O PHE A 86 0.070 10.044 0.098 1.00 0.00 O ATOM 1302 CB PHE A 86 -2.825 9.270 -0.874 1.00 0.00 C ATOM 1303 CG PHE A 86 -3.824 8.323 -1.516 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -3.766 6.944 -1.240 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -4.842 8.819 -2.351 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.714 6.072 -1.800 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -5.776 7.943 -2.932 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.713 6.567 -2.656 1.00 0.00 C ATOM 0 H PHE A 86 -0.820 7.635 -0.893 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.691 9.858 -2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.607 8.911 0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.295 10.248 -0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.991 6.556 -0.596 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.906 9.879 -2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.675 5.017 -1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.541 8.328 -3.590 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.430 5.892 -3.100 1.00 0.00 H new ATOM 1318 N LYS A 87 -0.606 11.709 -1.250 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.013 12.832 -0.507 1.00 0.00 C ATOM 1320 C LYS A 87 -1.152 13.749 -0.050 1.00 0.00 C ATOM 1321 O LYS A 87 -1.930 14.223 -0.875 1.00 0.00 O ATOM 1322 CB LYS A 87 1.042 13.521 -1.395 1.00 0.00 C ATOM 1323 CG LYS A 87 1.896 14.564 -0.648 1.00 0.00 C ATOM 1324 CD LYS A 87 3.411 14.268 -0.649 1.00 0.00 C ATOM 1325 CE LYS A 87 4.063 14.407 -2.033 1.00 0.00 C ATOM 1326 NZ LYS A 87 5.552 14.375 -1.945 1.00 0.00 N ATOM 0 H LYS A 87 -1.051 12.006 -2.118 1.00 0.00 H new ATOM 0 HA LYS A 87 0.516 12.509 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.700 12.762 -1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.539 14.008 -2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.729 15.542 -1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.551 14.626 0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.906 14.946 0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.575 13.256 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.719 13.600 -2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.745 15.343 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.960 14.814 -2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.861 14.900 -1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.875 13.389 -1.876 1.00 0.00 H new ATOM 1340 N ASP A 88 -1.306 13.930 1.265 1.00 0.00 N ATOM 1341 CA ASP A 88 -2.437 14.651 1.890 1.00 0.00 C ATOM 1342 C ASP A 88 -3.831 14.159 1.410 1.00 0.00 C ATOM 1343 O ASP A 88 -4.743 14.947 1.152 1.00 0.00 O ATOM 1344 CB ASP A 88 -2.204 16.169 1.759 1.00 0.00 C ATOM 1345 CG ASP A 88 -3.138 17.016 2.645 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -3.231 16.740 3.866 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -3.728 18.002 2.142 1.00 0.00 O ATOM 0 H ASP A 88 -0.636 13.574 1.947 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.461 14.415 2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.169 16.393 2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.342 16.461 0.718 1.00 0.00 H new ATOM 1352 N GLY A 89 -3.982 12.838 1.225 1.00 0.00 N ATOM 1353 CA GLY A 89 -5.205 12.186 0.733 1.00 0.00 C ATOM 1354 C GLY A 89 -5.522 12.379 -0.761 1.00 0.00 C ATOM 1355 O GLY A 89 -6.606 11.988 -1.195 1.00 0.00 O ATOM 0 H GLY A 89 -3.233 12.174 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.128 11.117 0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.049 12.558 1.314 1.00 0.00 H new ATOM 1359 N GLN A 90 -4.608 12.941 -1.562 1.00 0.00 N ATOM 1360 CA GLN A 90 -4.715 13.025 -3.029 1.00 0.00 C ATOM 1361 C GLN A 90 -3.695 12.081 -3.696 1.00 0.00 C ATOM 1362 O GLN A 90 -2.542 12.052 -3.259 1.00 0.00 O ATOM 1363 CB GLN A 90 -4.513 14.476 -3.499 1.00 0.00 C ATOM 1364 CG GLN A 90 -5.566 15.462 -2.958 1.00 0.00 C ATOM 1365 CD GLN A 90 -6.993 15.206 -3.451 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -7.254 14.481 -4.406 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -7.984 15.813 -2.833 1.00 0.00 N ATOM 0 H GLN A 90 -3.751 13.361 -1.202 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.715 12.709 -3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.523 14.812 -3.191 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.533 14.500 -4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.559 15.419 -1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.275 16.474 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.792 16.421 -2.037 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.944 15.676 -3.151 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.064 11.282 -4.717 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.172 10.266 -5.283 1.00 0.00 C ATOM 1378 C PRO A 91 -1.984 10.895 -6.032 1.00 0.00 C ATOM 1379 O PRO A 91 -2.146 11.875 -6.764 1.00 0.00 O ATOM 1380 CB PRO A 91 -4.055 9.408 -6.195 1.00 0.00 C ATOM 1381 CG PRO A 91 -5.176 10.363 -6.609 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.365 11.236 -5.368 1.00 0.00 C ATOM 0 HA PRO A 91 -2.710 9.659 -4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.502 9.040 -7.059 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.444 8.535 -5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.899 10.956 -7.480 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.089 9.826 -6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.702 12.236 -5.640 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.120 10.815 -4.704 1.00 0.00 H new ATOM 1390 N VAL A 92 -0.794 10.306 -5.867 1.00 0.00 N ATOM 1391 CA VAL A 92 0.471 10.787 -6.462 1.00 0.00 C ATOM 1392 C VAL A 92 1.282 9.713 -7.196 1.00 0.00 C ATOM 1393 O VAL A 92 2.011 10.059 -8.128 1.00 0.00 O ATOM 1394 CB VAL A 92 1.369 11.492 -5.422 1.00 0.00 C ATOM 1395 CG1 VAL A 92 0.763 12.829 -4.984 1.00 0.00 C ATOM 1396 CG2 VAL A 92 1.673 10.661 -4.170 1.00 0.00 C ATOM 0 H VAL A 92 -0.675 9.463 -5.305 1.00 0.00 H new ATOM 0 HA VAL A 92 0.149 11.506 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 92 2.314 11.645 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.417 13.302 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.656 13.481 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.216 12.656 -4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.309 11.236 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.741 10.412 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.186 9.743 -4.458 1.00 0.00 H new ATOM 1406 N LYS A 93 1.176 8.426 -6.822 1.00 0.00 N ATOM 1407 CA LYS A 93 1.960 7.335 -7.432 1.00 0.00 C ATOM 1408 C LYS A 93 1.225 5.991 -7.354 1.00 0.00 C ATOM 1409 O LYS A 93 0.638 5.674 -6.323 1.00 0.00 O ATOM 1410 CB LYS A 93 3.330 7.279 -6.724 1.00 0.00 C ATOM 1411 CG LYS A 93 4.366 6.328 -7.338 1.00 0.00 C ATOM 1412 CD LYS A 93 4.923 6.855 -8.665 1.00 0.00 C ATOM 1413 CE LYS A 93 6.050 5.929 -9.121 1.00 0.00 C ATOM 1414 NZ LYS A 93 6.821 6.497 -10.249 1.00 0.00 N ATOM 0 H LYS A 93 0.543 8.111 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 93 2.101 7.534 -8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.751 8.284 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.169 6.988 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.186 6.183 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.909 5.352 -7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.136 6.892 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.295 7.872 -8.542 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.722 5.738 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.630 4.968 -9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.605 5.858 -10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.198 6.608 -11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.203 7.425 -9.976 1.00 0.00 H new ATOM 1428 N ARG A 94 1.289 5.192 -8.423 1.00 0.00 N ATOM 1429 CA ARG A 94 0.782 3.807 -8.515 1.00 0.00 C ATOM 1430 C ARG A 94 1.861 2.860 -9.062 1.00 0.00 C ATOM 1431 O ARG A 94 2.604 3.236 -9.969 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.517 3.797 -9.346 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.163 2.408 -9.483 1.00 0.00 C ATOM 1434 CD ARG A 94 -2.527 2.500 -10.182 1.00 0.00 C ATOM 1435 NE ARG A 94 -3.030 1.163 -10.560 1.00 0.00 N ATOM 1436 CZ ARG A 94 -4.280 0.728 -10.549 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -5.276 1.458 -10.132 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -4.546 -0.475 -10.964 1.00 0.00 N ATOM 0 H ARG A 94 1.716 5.503 -9.295 1.00 0.00 H new ATOM 0 HA ARG A 94 0.540 3.432 -7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.235 4.476 -8.887 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.302 4.186 -10.341 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.504 1.751 -10.050 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.286 1.962 -8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.244 2.987 -9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.440 3.123 -11.072 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.326 0.492 -10.868 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.108 2.406 -9.796 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.224 1.081 -10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.793 -1.078 -11.296 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.507 -0.816 -10.958 1.00 0.00 H new ATOM 1452 N ILE A 95 1.952 1.649 -8.506 1.00 0.00 N ATOM 1453 CA ILE A 95 2.934 0.602 -8.861 1.00 0.00 C ATOM 1454 C ILE A 95 2.213 -0.758 -8.921 1.00 0.00 C ATOM 1455 O ILE A 95 1.345 -1.012 -8.091 1.00 0.00 O ATOM 1456 CB ILE A 95 4.110 0.548 -7.843 1.00 0.00 C ATOM 1457 CG1 ILE A 95 4.627 1.940 -7.391 1.00 0.00 C ATOM 1458 CG2 ILE A 95 5.272 -0.279 -8.432 1.00 0.00 C ATOM 1459 CD1 ILE A 95 5.580 1.912 -6.186 1.00 0.00 C ATOM 0 H ILE A 95 1.319 1.351 -7.763 1.00 0.00 H new ATOM 0 HA ILE A 95 3.363 0.840 -9.834 1.00 0.00 H new ATOM 0 HB ILE A 95 3.712 0.072 -6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.138 2.412 -8.230 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.771 2.568 -7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.093 -0.314 -7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.928 -1.292 -8.640 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.616 0.184 -9.356 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.889 2.929 -5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.070 1.473 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.458 1.315 -6.431 1.00 0.00 H new ATOM 1471 N VAL A 96 2.568 -1.656 -9.845 1.00 0.00 N ATOM 1472 CA VAL A 96 2.095 -3.060 -9.869 1.00 0.00 C ATOM 1473 C VAL A 96 3.255 -4.033 -10.114 1.00 0.00 C ATOM 1474 O VAL A 96 4.188 -3.729 -10.863 1.00 0.00 O ATOM 1475 CB VAL A 96 0.900 -3.260 -10.834 1.00 0.00 C ATOM 1476 CG1 VAL A 96 1.160 -2.697 -12.240 1.00 0.00 C ATOM 1477 CG2 VAL A 96 0.462 -4.722 -10.992 1.00 0.00 C ATOM 0 H VAL A 96 3.201 -1.433 -10.613 1.00 0.00 H new ATOM 0 HA VAL A 96 1.703 -3.297 -8.880 1.00 0.00 H new ATOM 0 HB VAL A 96 0.099 -2.701 -10.351 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.286 -2.868 -12.868 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.354 -1.627 -12.173 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.025 -3.196 -12.678 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.379 -4.777 -11.683 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.292 -5.310 -11.383 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.161 -5.119 -10.022 1.00 0.00 H new ATOM 1487 N GLY A 97 3.202 -5.201 -9.468 1.00 0.00 N ATOM 1488 CA GLY A 97 4.276 -6.200 -9.434 1.00 0.00 C ATOM 1489 C GLY A 97 5.299 -5.953 -8.314 1.00 0.00 C ATOM 1490 O GLY A 97 5.440 -4.838 -7.805 1.00 0.00 O ATOM 0 H GLY A 97 2.381 -5.488 -8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.838 -7.190 -9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.792 -6.202 -10.394 1.00 0.00 H new ATOM 1494 N ALA A 98 6.000 -7.012 -7.900 1.00 0.00 N ATOM 1495 CA ALA A 98 6.956 -6.968 -6.790 1.00 0.00 C ATOM 1496 C ALA A 98 8.288 -6.294 -7.179 1.00 0.00 C ATOM 1497 O ALA A 98 8.821 -6.527 -8.269 1.00 0.00 O ATOM 1498 CB ALA A 98 7.176 -8.392 -6.266 1.00 0.00 C ATOM 0 H ALA A 98 5.919 -7.933 -8.330 1.00 0.00 H new ATOM 0 HA ALA A 98 6.535 -6.349 -5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.886 -8.370 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.228 -8.802 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.571 -9.017 -7.067 1.00 0.00 H new ATOM 1504 N LYS A 99 8.840 -5.488 -6.261 1.00 0.00 N ATOM 1505 CA LYS A 99 10.158 -4.831 -6.367 1.00 0.00 C ATOM 1506 C LYS A 99 10.963 -5.016 -5.073 1.00 0.00 C ATOM 1507 O LYS A 99 10.381 -5.028 -3.988 1.00 0.00 O ATOM 1508 CB LYS A 99 9.979 -3.341 -6.737 1.00 0.00 C ATOM 1509 CG LYS A 99 9.328 -3.163 -8.121 1.00 0.00 C ATOM 1510 CD LYS A 99 9.436 -1.732 -8.673 1.00 0.00 C ATOM 1511 CE LYS A 99 8.782 -1.693 -10.063 1.00 0.00 C ATOM 1512 NZ LYS A 99 9.255 -0.552 -10.892 1.00 0.00 N ATOM 0 H LYS A 99 8.364 -5.264 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 99 10.731 -5.302 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.364 -2.852 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.950 -2.846 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.796 -3.851 -8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.276 -3.440 -8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.942 -1.029 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.481 -1.429 -8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.992 -2.627 -10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.700 -1.629 -9.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.874 -0.641 -11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.928 0.341 -10.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.294 -0.557 -10.929 1.00 0.00 H new ATOM 1526 N GLY A 100 12.290 -5.150 -5.177 1.00 0.00 N ATOM 1527 CA GLY A 100 13.209 -5.205 -4.034 1.00 0.00 C ATOM 1528 C GLY A 100 13.495 -3.804 -3.497 1.00 0.00 C ATOM 1529 O GLY A 100 13.177 -2.818 -4.157 1.00 0.00 O ATOM 0 H GLY A 100 12.765 -5.225 -6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.778 -5.820 -3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.142 -5.681 -4.335 1.00 0.00 H new ATOM 1533 N LYS A 101 14.106 -3.689 -2.315 1.00 0.00 N ATOM 1534 CA LYS A 101 14.278 -2.413 -1.579 1.00 0.00 C ATOM 1535 C LYS A 101 14.857 -1.263 -2.391 1.00 0.00 C ATOM 1536 O LYS A 101 14.426 -0.126 -2.230 1.00 0.00 O ATOM 1537 CB LYS A 101 15.159 -2.672 -0.347 1.00 0.00 C ATOM 1538 CG LYS A 101 15.202 -1.519 0.668 1.00 0.00 C ATOM 1539 CD LYS A 101 13.835 -1.222 1.312 1.00 0.00 C ATOM 1540 CE LYS A 101 13.904 -0.135 2.391 1.00 0.00 C ATOM 1541 NZ LYS A 101 14.904 -0.472 3.438 1.00 0.00 N ATOM 0 H LYS A 101 14.506 -4.489 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 101 13.275 -2.086 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.799 -3.569 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 101 16.175 -2.881 -0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.920 -1.761 1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.564 -0.620 0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.134 -0.913 0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.440 -2.138 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.163 0.819 1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.923 -0.012 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.743 0.123 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.808 -1.474 3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.862 -0.301 3.071 1.00 0.00 H new ATOM 1555 N ALA A 102 15.791 -1.564 -3.280 1.00 0.00 N ATOM 1556 CA ALA A 102 16.437 -0.549 -4.119 1.00 0.00 C ATOM 1557 C ALA A 102 15.470 0.000 -5.185 1.00 0.00 C ATOM 1558 O ALA A 102 15.300 1.215 -5.329 1.00 0.00 O ATOM 1559 CB ALA A 102 17.708 -1.150 -4.732 1.00 0.00 C ATOM 0 H ALA A 102 16.126 -2.513 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 102 16.719 0.308 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 102 18.198 -0.404 -5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.386 -1.457 -3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.445 -2.017 -5.338 1.00 0.00 H new ATOM 1565 N ALA A 103 14.782 -0.904 -5.888 1.00 0.00 N ATOM 1566 CA ALA A 103 13.793 -0.575 -6.908 1.00 0.00 C ATOM 1567 C ALA A 103 12.518 0.041 -6.296 1.00 0.00 C ATOM 1568 O ALA A 103 12.051 1.082 -6.768 1.00 0.00 O ATOM 1569 CB ALA A 103 13.530 -1.839 -7.732 1.00 0.00 C ATOM 0 H ALA A 103 14.903 -1.908 -5.757 1.00 0.00 H new ATOM 0 HA ALA A 103 14.174 0.201 -7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.792 -1.623 -8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.458 -2.169 -8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 103 13.152 -2.626 -7.080 1.00 0.00 H new ATOM 1575 N LEU A 104 11.998 -0.536 -5.202 1.00 0.00 N ATOM 1576 CA LEU A 104 10.844 0.004 -4.494 1.00 0.00 C ATOM 1577 C LEU A 104 11.168 1.369 -3.880 1.00 0.00 C ATOM 1578 O LEU A 104 10.376 2.289 -4.060 1.00 0.00 O ATOM 1579 CB LEU A 104 10.323 -1.006 -3.449 1.00 0.00 C ATOM 1580 CG LEU A 104 8.988 -0.582 -2.797 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.851 -0.433 -3.811 1.00 0.00 C ATOM 1582 CD2 LEU A 104 8.538 -1.594 -1.746 1.00 0.00 C ATOM 0 H LEU A 104 12.371 -1.391 -4.789 1.00 0.00 H new ATOM 0 HA LEU A 104 10.038 0.165 -5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.193 -1.977 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 104 11.075 -1.132 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 104 9.188 0.387 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.939 -0.134 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.117 0.326 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.686 -1.385 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.596 -1.267 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.401 -2.569 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.296 -1.670 -0.966 1.00 0.00 H new ATOM 1594 N LEU A 105 12.328 1.563 -3.231 1.00 0.00 N ATOM 1595 CA LEU A 105 12.646 2.890 -2.702 1.00 0.00 C ATOM 1596 C LEU A 105 12.941 3.909 -3.799 1.00 0.00 C ATOM 1597 O LEU A 105 12.547 5.035 -3.574 1.00 0.00 O ATOM 1598 CB LEU A 105 13.714 2.916 -1.594 1.00 0.00 C ATOM 1599 CG LEU A 105 13.860 4.317 -0.928 1.00 0.00 C ATOM 1600 CD1 LEU A 105 12.583 4.872 -0.284 1.00 0.00 C ATOM 1601 CD2 LEU A 105 14.897 4.230 0.190 1.00 0.00 C ATOM 0 H LEU A 105 13.034 0.845 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 105 11.725 3.195 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.457 2.181 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.674 2.617 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 105 14.138 4.986 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 105 12.790 5.850 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.806 4.969 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.244 4.192 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.006 5.206 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.571 3.502 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.855 3.919 -0.226 1.00 0.00 H new ATOM 1613 N ARG A 106 13.505 3.620 -4.985 1.00 0.00 N ATOM 1614 CA ARG A 106 13.517 4.678 -6.031 1.00 0.00 C ATOM 1615 C ARG A 106 12.096 5.034 -6.505 1.00 0.00 C ATOM 1616 O ARG A 106 11.732 6.215 -6.570 1.00 0.00 O ATOM 1617 CB ARG A 106 14.526 4.410 -7.161 1.00 0.00 C ATOM 1618 CG ARG A 106 14.239 3.200 -8.056 1.00 0.00 C ATOM 1619 CD ARG A 106 15.312 3.087 -9.147 1.00 0.00 C ATOM 1620 NE ARG A 106 15.145 1.861 -9.955 1.00 0.00 N ATOM 1621 CZ ARG A 106 15.807 0.723 -9.834 1.00 0.00 C ATOM 1622 NH1 ARG A 106 16.688 0.524 -8.893 1.00 0.00 N ATOM 1623 NH2 ARG A 106 15.584 -0.257 -10.660 1.00 0.00 N ATOM 0 H ARG A 106 13.933 2.730 -5.241 1.00 0.00 H new ATOM 0 HA ARG A 106 13.898 5.584 -5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 106 14.577 5.297 -7.792 1.00 0.00 H new ATOM 0 HB3 ARG A 106 15.512 4.279 -6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 106 14.221 2.290 -7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 106 13.254 3.300 -8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.263 3.960 -9.797 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.300 3.087 -8.687 1.00 0.00 H new ATOM 0 HE ARG A 106 14.438 1.897 -10.690 1.00 0.00 H new ATOM 0 HH11 ARG A 106 16.887 1.261 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.178 -0.369 -8.833 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.896 -0.149 -11.405 1.00 0.00 H new ATOM 0 HH22 ARG A 106 16.097 -1.133 -10.562 1.00 0.00 H new ATOM 1637 N GLU A 107 11.255 4.016 -6.714 1.00 0.00 N ATOM 1638 CA GLU A 107 9.857 4.189 -7.134 1.00 0.00 C ATOM 1639 C GLU A 107 9.000 4.962 -6.106 1.00 0.00 C ATOM 1640 O GLU A 107 8.110 5.719 -6.492 1.00 0.00 O ATOM 1641 CB GLU A 107 9.255 2.808 -7.435 1.00 0.00 C ATOM 1642 CG GLU A 107 8.081 2.871 -8.414 1.00 0.00 C ATOM 1643 CD GLU A 107 8.548 3.139 -9.854 1.00 0.00 C ATOM 1644 OE1 GLU A 107 8.903 2.158 -10.548 1.00 0.00 O ATOM 1645 OE2 GLU A 107 8.551 4.316 -10.289 1.00 0.00 O ATOM 0 H GLU A 107 11.526 3.040 -6.596 1.00 0.00 H new ATOM 0 HA GLU A 107 9.851 4.804 -8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 107 10.030 2.161 -7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.920 2.352 -6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.530 1.931 -8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.392 3.656 -8.104 1.00 0.00 H new ATOM 1652 N LEU A 108 9.294 4.827 -4.806 1.00 0.00 N ATOM 1653 CA LEU A 108 8.666 5.591 -3.718 1.00 0.00 C ATOM 1654 C LEU A 108 9.427 6.879 -3.365 1.00 0.00 C ATOM 1655 O LEU A 108 8.821 7.834 -2.892 1.00 0.00 O ATOM 1656 CB LEU A 108 8.526 4.696 -2.475 1.00 0.00 C ATOM 1657 CG LEU A 108 7.652 3.443 -2.674 1.00 0.00 C ATOM 1658 CD1 LEU A 108 7.696 2.620 -1.390 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.191 3.769 -2.979 1.00 0.00 C ATOM 0 H LEU A 108 9.995 4.165 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 108 7.683 5.903 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.520 4.381 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.105 5.289 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 108 8.052 2.901 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.083 1.727 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.725 2.328 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.312 3.216 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.631 2.843 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.765 4.339 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.133 4.358 -3.894 1.00 0.00 H new ATOM 1671 N SER A 109 10.731 6.954 -3.634 1.00 0.00 N ATOM 1672 CA SER A 109 11.560 8.160 -3.466 1.00 0.00 C ATOM 1673 C SER A 109 11.117 9.253 -4.454 1.00 0.00 C ATOM 1674 O SER A 109 11.211 10.448 -4.171 1.00 0.00 O ATOM 1675 CB SER A 109 13.061 7.894 -3.637 1.00 0.00 C ATOM 1676 OG SER A 109 13.803 9.084 -3.435 1.00 0.00 O ATOM 0 H SER A 109 11.260 6.156 -3.986 1.00 0.00 H new ATOM 0 HA SER A 109 11.409 8.493 -2.439 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.384 7.132 -2.928 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.255 7.503 -4.636 1.00 0.00 H new ATOM 0 HG SER A 109 13.430 9.577 -2.675 1.00 0.00 H new ATOM 1682 N ASP A 110 10.512 8.842 -5.577 1.00 0.00 N ATOM 1683 CA ASP A 110 9.737 9.715 -6.475 1.00 0.00 C ATOM 1684 C ASP A 110 8.628 10.530 -5.747 1.00 0.00 C ATOM 1685 O ASP A 110 8.221 11.592 -6.222 1.00 0.00 O ATOM 1686 CB ASP A 110 9.139 8.820 -7.574 1.00 0.00 C ATOM 1687 CG ASP A 110 8.647 9.568 -8.825 1.00 0.00 C ATOM 1688 OD1 ASP A 110 9.230 10.610 -9.206 1.00 0.00 O ATOM 1689 OD2 ASP A 110 7.712 9.047 -9.482 1.00 0.00 O ATOM 0 H ASP A 110 10.547 7.873 -5.895 1.00 0.00 H new ATOM 0 HA ASP A 110 10.403 10.469 -6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.891 8.091 -7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 110 8.304 8.260 -7.152 1.00 0.00 H new ATOM 1694 N VAL A 111 8.175 10.071 -4.568 1.00 0.00 N ATOM 1695 CA VAL A 111 7.291 10.767 -3.613 1.00 0.00 C ATOM 1696 C VAL A 111 8.036 11.201 -2.331 1.00 0.00 C ATOM 1697 O VAL A 111 7.620 12.169 -1.689 1.00 0.00 O ATOM 1698 CB VAL A 111 6.096 9.845 -3.281 1.00 0.00 C ATOM 1699 CG1 VAL A 111 5.156 10.460 -2.241 1.00 0.00 C ATOM 1700 CG2 VAL A 111 5.262 9.559 -4.540 1.00 0.00 C ATOM 0 H VAL A 111 8.433 9.143 -4.233 1.00 0.00 H new ATOM 0 HA VAL A 111 6.932 11.686 -4.077 1.00 0.00 H new ATOM 0 HB VAL A 111 6.529 8.928 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.333 9.773 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.705 10.644 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.759 11.401 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 111 4.426 8.908 -4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 111 4.881 10.497 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.887 9.069 -5.287 1.00 0.00 H new ATOM 1710 N VAL A 112 9.136 10.521 -1.974 1.00 0.00 N ATOM 1711 CA VAL A 112 9.952 10.690 -0.751 1.00 0.00 C ATOM 1712 C VAL A 112 11.407 11.098 -1.083 1.00 0.00 C ATOM 1713 O VAL A 112 12.301 10.249 -1.096 1.00 0.00 O ATOM 1714 CB VAL A 112 9.897 9.398 0.111 1.00 0.00 C ATOM 1715 CG1 VAL A 112 10.639 9.565 1.447 1.00 0.00 C ATOM 1716 CG2 VAL A 112 8.450 9.016 0.452 1.00 0.00 C ATOM 0 H VAL A 112 9.510 9.784 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 112 9.528 11.507 -0.168 1.00 0.00 H new ATOM 0 HB VAL A 112 10.373 8.623 -0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.575 8.638 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.686 9.801 1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.183 10.374 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.446 8.108 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 112 7.982 9.826 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 112 7.893 8.842 -0.469 1.00 0.00 H new ATOM 1726 N PRO A 113 11.703 12.397 -1.295 1.00 0.00 N ATOM 1727 CA PRO A 113 13.072 12.880 -1.529 1.00 0.00 C ATOM 1728 C PRO A 113 14.037 12.692 -0.342 1.00 0.00 C ATOM 1729 O PRO A 113 15.248 12.863 -0.498 1.00 0.00 O ATOM 1730 CB PRO A 113 12.930 14.369 -1.873 1.00 0.00 C ATOM 1731 CG PRO A 113 11.500 14.491 -2.388 1.00 0.00 C ATOM 1732 CD PRO A 113 10.756 13.479 -1.522 1.00 0.00 C ATOM 0 HA PRO A 113 13.522 12.291 -2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 113 13.095 14.999 -0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.654 14.676 -2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 113 11.107 15.500 -2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 113 11.428 14.250 -3.449 1.00 0.00 H new ATOM 0 HD2 PRO A 113 10.437 13.926 -0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 113 9.858 13.117 -2.023 1.00 0.00 H new ATOM 1740 N ASN A 114 13.519 12.368 0.851 1.00 0.00 N ATOM 1741 CA ASN A 114 14.290 12.303 2.098 1.00 0.00 C ATOM 1742 C ASN A 114 15.314 11.145 2.153 1.00 0.00 C ATOM 1743 O ASN A 114 16.341 11.280 2.824 1.00 0.00 O ATOM 1744 CB ASN A 114 13.282 12.233 3.260 1.00 0.00 C ATOM 1745 CG ASN A 114 13.952 12.271 4.626 1.00 0.00 C ATOM 1746 OD1 ASN A 114 14.150 11.257 5.281 1.00 0.00 O ATOM 1747 ND2 ASN A 114 14.344 13.436 5.092 1.00 0.00 N ATOM 0 H ASN A 114 12.533 12.140 0.977 1.00 0.00 H new ATOM 0 HA ASN A 114 14.908 13.198 2.169 1.00 0.00 H new ATOM 0 HB2 ASN A 114 12.584 13.066 3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 114 12.697 11.317 3.173 1.00 0.00 H new ATOM 0 HD21 ASN A 114 14.812 13.492 5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 114 14.181 14.284 4.549 1.00 0.00 H new ATOM 1754 N LEU A 115 15.068 10.028 1.450 1.00 0.00 N ATOM 1755 CA LEU A 115 15.972 8.869 1.401 1.00 0.00 C ATOM 1756 C LEU A 115 15.865 8.109 0.064 1.00 0.00 C ATOM 1757 O LEU A 115 14.761 7.880 -0.434 1.00 0.00 O ATOM 1758 CB LEU A 115 15.662 7.940 2.596 1.00 0.00 C ATOM 1759 CG LEU A 115 16.685 6.808 2.822 1.00 0.00 C ATOM 1760 CD1 LEU A 115 18.063 7.339 3.224 1.00 0.00 C ATOM 1761 CD2 LEU A 115 16.196 5.880 3.935 1.00 0.00 C ATOM 0 H LEU A 115 14.223 9.903 0.892 1.00 0.00 H new ATOM 0 HA LEU A 115 17.000 9.225 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 115 15.605 8.544 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 115 14.678 7.496 2.446 1.00 0.00 H new ATOM 0 HG LEU A 115 16.778 6.276 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 115 18.746 6.503 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 115 18.447 7.987 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 115 17.978 7.906 4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 115 16.923 5.083 4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 115 16.079 6.448 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 115 15.237 5.446 3.652 1.00 0.00 H new ATOM 1773 N ASN A 116 17.014 7.684 -0.480 1.00 0.00 N ATOM 1774 CA ASN A 116 17.149 6.844 -1.682 1.00 0.00 C ATOM 1775 C ASN A 116 18.379 5.920 -1.586 1.00 0.00 C ATOM 1776 O ASN A 116 19.512 6.443 -1.471 1.00 0.00 O ATOM 1777 CB ASN A 116 17.197 7.756 -2.928 1.00 0.00 C ATOM 1778 CG ASN A 116 17.331 6.986 -4.235 1.00 0.00 C ATOM 1779 OD1 ASN A 116 16.363 6.697 -4.924 1.00 0.00 O ATOM 1780 ND2 ASN A 116 18.537 6.627 -4.617 1.00 0.00 N ATOM 1781 OXT ASN A 116 18.203 4.683 -1.633 1.00 0.00 O ATOM 0 H ASN A 116 17.918 7.927 -0.076 1.00 0.00 H new ATOM 0 HA ASN A 116 16.284 6.186 -1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 116 16.291 8.360 -2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 116 18.036 8.445 -2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 116 18.663 6.109 -5.486 1.00 0.00 H new ATOM 0 HD22 ASN A 116 19.346 6.867 -4.044 1.00 0.00 H new TER 1788 ASN A 116