USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 966 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 94 HIS : no HE2:sc= -0.89 K(o=-0.43,f=-2.4) USER MOD Set 1.2: A 113 THR OG1 : rot -40:sc= 0.461 USER MOD Set 2.1: A 44 THR OG1 : rot -36:sc= 0.335 USER MOD Set 2.2: A 91 GLN :FLIP amide:sc= 0.34 F(o=0.11,f=0.68) USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 99 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 1 SER N :NH3+ -129:sc= 0.366 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0951 USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0.767 K(o=0.77,f=-3.4!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -177:sc= 0.579 (180deg=0.565) USER MOD Single : A 11 THR OG1 : rot 40:sc= 0.245 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.00969 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 39:sc= 0.253 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 36 SER OG : rot -4:sc= 1.15 USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= -0.0125 (180deg=-0.124) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.714 K(o=0.71,f=-4.1!) USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= 1.27 (180deg=0.73) USER MOD Single : A 50 ASN : amide:sc= -0.416 X(o=-0.42,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.42 K(o=1.4,f=-1.9) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.274 F(o=-0.94,f=-0.27) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 66 SER OG : rot -91:sc= 0.00158 USER MOD Single : A 70 ASN : amide:sc= -0.0457 X(o=-0.046,f=-0.42) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0585 USER MOD Single : A 89 CYS SG : rot -13:sc= 0.012 USER MOD Single : A 100 ASN : amide:sc= 0.63 K(o=0.63,f=-1.8) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.5) USER MOD Single : A 105 ASN : amide:sc= -0.331 K(o=-0.33,f=-6.1!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot -160:sc= -0.158 USER MOD Single : A 114 CYS SG : rot 19:sc= -1.22! USER MOD Single : A 115 GLN : amide:sc=-0.00205 K(o=-0.002,f=-0.82) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 121 HIS : no HE2:sc= 0.149 K(o=0.15,f=-0.72) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.325 3.530 -44.678 1.00 0.00 N ATOM 2 CA SER A 1 -3.038 2.280 -44.944 1.00 0.00 C ATOM 3 C SER A 1 -2.464 1.570 -46.176 1.00 0.00 C ATOM 4 O SER A 1 -2.033 0.408 -46.104 1.00 0.00 O ATOM 5 CB SER A 1 -4.526 2.587 -45.121 1.00 0.00 C ATOM 6 OG SER A 1 -4.712 3.680 -46.017 1.00 0.00 O ATOM 0 H1 SER A 1 -2.027 3.555 -43.682 1.00 0.00 H new ATOM 0 H2 SER A 1 -1.487 3.589 -45.291 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.953 4.336 -44.872 1.00 0.00 H new ATOM 0 HA SER A 1 -2.911 1.602 -44.100 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.041 1.706 -45.503 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.971 2.823 -44.154 1.00 0.00 H new ATOM 0 HG SER A 1 -5.670 3.860 -46.119 1.00 0.00 H new ATOM 14 N ASN A 2 -2.487 2.244 -47.312 1.00 0.00 N ATOM 15 CA ASN A 2 -1.879 1.721 -48.527 1.00 0.00 C ATOM 16 C ASN A 2 -0.408 2.076 -48.489 1.00 0.00 C ATOM 17 O ASN A 2 0.465 1.285 -48.856 1.00 0.00 O ATOM 18 CB ASN A 2 -2.543 2.331 -49.777 1.00 0.00 C ATOM 19 CG ASN A 2 -2.029 1.741 -51.089 1.00 0.00 C ATOM 20 OD1 ASN A 2 -1.656 0.563 -51.165 1.00 0.00 O ATOM 21 ND2 ASN A 2 -2.004 2.543 -52.125 1.00 0.00 N ATOM 0 H ASN A 2 -2.922 3.160 -47.421 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.014 0.641 -48.580 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.621 2.179 -49.717 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.373 3.408 -49.780 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.670 2.202 -53.026 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.318 3.509 -52.030 1.00 0.00 H new ATOM 28 N ALA A 3 -0.149 3.256 -47.985 1.00 0.00 N ATOM 29 CA ALA A 3 1.170 3.777 -47.812 1.00 0.00 C ATOM 30 C ALA A 3 1.157 4.641 -46.572 1.00 0.00 C ATOM 31 O ALA A 3 0.091 4.801 -45.953 1.00 0.00 O ATOM 32 CB ALA A 3 1.583 4.595 -49.033 1.00 0.00 C ATOM 0 H ALA A 3 -0.880 3.897 -47.676 1.00 0.00 H new ATOM 0 HA ALA A 3 1.891 2.967 -47.702 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.590 4.985 -48.886 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.566 3.960 -49.919 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.889 5.424 -49.167 1.00 0.00 H new ATOM 38 N LYS A 4 2.314 5.174 -46.213 1.00 0.00 N ATOM 39 CA LYS A 4 2.483 6.078 -45.075 1.00 0.00 C ATOM 40 C LYS A 4 2.192 5.420 -43.733 1.00 0.00 C ATOM 41 O LYS A 4 1.113 5.559 -43.181 1.00 0.00 O ATOM 42 CB LYS A 4 1.674 7.378 -45.238 1.00 0.00 C ATOM 43 CG LYS A 4 2.142 8.287 -46.376 1.00 0.00 C ATOM 44 CD LYS A 4 3.539 8.858 -46.127 1.00 0.00 C ATOM 45 CE LYS A 4 3.587 9.704 -44.853 1.00 0.00 C ATOM 46 NZ LYS A 4 4.918 10.299 -44.632 1.00 0.00 N ATOM 0 H LYS A 4 3.184 4.989 -46.713 1.00 0.00 H new ATOM 0 HA LYS A 4 3.541 6.340 -45.072 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.628 7.120 -45.405 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.719 7.937 -44.303 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.143 7.725 -47.310 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.434 9.106 -46.498 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.257 8.042 -46.049 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.840 9.467 -46.979 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.842 10.497 -44.917 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.321 9.084 -43.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.905 10.863 -43.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.626 9.543 -44.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.162 10.911 -45.436 1.00 0.00 H new ATOM 60 N ASN A 5 3.149 4.687 -43.234 1.00 0.00 N ATOM 61 CA ASN A 5 3.022 4.062 -41.923 1.00 0.00 C ATOM 62 C ASN A 5 3.504 5.067 -40.875 1.00 0.00 C ATOM 63 O ASN A 5 4.501 5.767 -41.100 1.00 0.00 O ATOM 64 CB ASN A 5 3.852 2.770 -41.857 1.00 0.00 C ATOM 65 CG ASN A 5 3.673 2.021 -40.552 1.00 0.00 C ATOM 66 OD1 ASN A 5 4.371 2.273 -39.585 1.00 0.00 O ATOM 67 ND2 ASN A 5 2.753 1.094 -40.519 1.00 0.00 N ATOM 0 H ASN A 5 4.033 4.501 -43.708 1.00 0.00 H new ATOM 0 HA ASN A 5 1.983 3.792 -41.734 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.570 2.120 -42.685 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.906 3.014 -41.989 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.602 0.556 -39.666 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.186 0.908 -41.346 1.00 0.00 H new ATOM 74 N TYR A 6 2.828 5.152 -39.755 1.00 0.00 N ATOM 75 CA TYR A 6 3.139 6.170 -38.757 1.00 0.00 C ATOM 76 C TYR A 6 3.866 5.544 -37.534 1.00 0.00 C ATOM 77 O TYR A 6 3.824 6.074 -36.418 1.00 0.00 O ATOM 78 CB TYR A 6 1.828 6.901 -38.373 1.00 0.00 C ATOM 79 CG TYR A 6 2.002 8.177 -37.569 1.00 0.00 C ATOM 80 CD1 TYR A 6 2.846 9.184 -38.013 1.00 0.00 C ATOM 81 CD2 TYR A 6 1.316 8.374 -36.376 1.00 0.00 C ATOM 82 CE1 TYR A 6 3.006 10.347 -37.296 1.00 0.00 C ATOM 83 CE2 TYR A 6 1.469 9.541 -35.652 1.00 0.00 C ATOM 84 CZ TYR A 6 2.313 10.526 -36.120 1.00 0.00 C ATOM 85 OH TYR A 6 2.478 11.695 -35.402 1.00 0.00 O ATOM 0 H TYR A 6 2.057 4.533 -39.503 1.00 0.00 H new ATOM 0 HA TYR A 6 3.831 6.905 -39.167 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.285 7.140 -39.287 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.204 6.214 -37.801 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.387 9.053 -38.938 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.654 7.604 -36.010 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.673 11.117 -37.654 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.931 9.681 -34.726 1.00 0.00 H new ATOM 0 HH TYR A 6 1.919 11.667 -34.598 1.00 0.00 H new ATOM 95 N MET A 7 4.519 4.396 -37.783 1.00 0.00 N ATOM 96 CA MET A 7 5.387 3.675 -36.812 1.00 0.00 C ATOM 97 C MET A 7 4.590 2.841 -35.791 1.00 0.00 C ATOM 98 O MET A 7 5.170 2.010 -35.083 1.00 0.00 O ATOM 99 CB MET A 7 6.395 4.640 -36.101 1.00 0.00 C ATOM 100 CG MET A 7 7.348 3.971 -35.110 1.00 0.00 C ATOM 101 SD MET A 7 8.373 5.147 -34.197 1.00 0.00 S ATOM 102 CE MET A 7 9.278 4.026 -33.127 1.00 0.00 C ATOM 0 H MET A 7 4.462 3.925 -38.686 1.00 0.00 H new ATOM 0 HA MET A 7 5.967 2.965 -37.402 1.00 0.00 H new ATOM 0 HB2 MET A 7 6.986 5.147 -36.863 1.00 0.00 H new ATOM 0 HB3 MET A 7 5.828 5.407 -35.574 1.00 0.00 H new ATOM 0 HG2 MET A 7 6.768 3.379 -34.402 1.00 0.00 H new ATOM 0 HG3 MET A 7 7.994 3.279 -35.649 1.00 0.00 H new ATOM 0 HE1 MET A 7 9.959 4.596 -32.495 1.00 0.00 H new ATOM 0 HE2 MET A 7 8.576 3.475 -32.500 1.00 0.00 H new ATOM 0 HE3 MET A 7 9.849 3.324 -33.735 1.00 0.00 H new ATOM 112 N ASP A 8 3.265 3.011 -35.776 1.00 0.00 N ATOM 113 CA ASP A 8 2.360 2.381 -34.778 1.00 0.00 C ATOM 114 C ASP A 8 2.525 3.079 -33.442 1.00 0.00 C ATOM 115 O ASP A 8 3.640 3.159 -32.895 1.00 0.00 O ATOM 116 CB ASP A 8 2.544 0.835 -34.652 1.00 0.00 C ATOM 117 CG ASP A 8 1.697 0.193 -33.552 1.00 0.00 C ATOM 118 OD1 ASP A 8 0.521 -0.137 -33.799 1.00 0.00 O ATOM 119 OD2 ASP A 8 2.208 -0.035 -32.419 1.00 0.00 O ATOM 0 H ASP A 8 2.775 3.592 -36.456 1.00 0.00 H new ATOM 0 HA ASP A 8 1.338 2.511 -35.134 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.293 0.371 -35.606 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.595 0.619 -34.459 1.00 0.00 H new ATOM 124 N LYS A 9 1.429 3.662 -32.970 1.00 0.00 N ATOM 125 CA LYS A 9 1.346 4.452 -31.716 1.00 0.00 C ATOM 126 C LYS A 9 1.867 5.870 -31.937 1.00 0.00 C ATOM 127 O LYS A 9 1.247 6.846 -31.500 1.00 0.00 O ATOM 128 CB LYS A 9 2.047 3.789 -30.506 1.00 0.00 C ATOM 129 CG LYS A 9 1.521 2.413 -30.148 1.00 0.00 C ATOM 130 CD LYS A 9 2.229 1.859 -28.924 1.00 0.00 C ATOM 131 CE LYS A 9 1.785 0.439 -28.627 1.00 0.00 C ATOM 132 NZ LYS A 9 2.182 -0.501 -29.700 1.00 0.00 N ATOM 0 H LYS A 9 0.534 3.604 -33.456 1.00 0.00 H new ATOM 0 HA LYS A 9 0.288 4.492 -31.458 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.113 3.712 -30.718 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.941 4.441 -29.639 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.449 2.468 -29.958 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.661 1.736 -30.991 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.307 1.879 -29.084 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.023 2.495 -28.063 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.218 0.114 -27.681 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.702 0.415 -28.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.816 -1.450 -29.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.790 -0.178 -30.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.219 -0.537 -29.764 1.00 0.00 H new ATOM 146 N GLY A 10 2.978 5.980 -32.638 1.00 0.00 N ATOM 147 CA GLY A 10 3.535 7.273 -32.962 1.00 0.00 C ATOM 148 C GLY A 10 4.378 7.838 -31.845 1.00 0.00 C ATOM 149 O GLY A 10 4.082 8.915 -31.327 1.00 0.00 O ATOM 0 H GLY A 10 3.512 5.187 -32.993 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.142 7.187 -33.863 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.725 7.967 -33.188 1.00 0.00 H new ATOM 153 N THR A 11 5.438 7.116 -31.494 1.00 0.00 N ATOM 154 CA THR A 11 6.400 7.500 -30.447 1.00 0.00 C ATOM 155 C THR A 11 5.763 7.811 -29.070 1.00 0.00 C ATOM 156 O THR A 11 5.411 8.956 -28.762 1.00 0.00 O ATOM 157 CB THR A 11 7.381 8.644 -30.897 1.00 0.00 C ATOM 158 OG1 THR A 11 6.657 9.758 -31.453 1.00 0.00 O ATOM 159 CG2 THR A 11 8.383 8.132 -31.921 1.00 0.00 C ATOM 0 H THR A 11 5.664 6.225 -31.936 1.00 0.00 H new ATOM 0 HA THR A 11 6.995 6.599 -30.301 1.00 0.00 H new ATOM 0 HB THR A 11 7.918 8.978 -30.009 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.847 9.917 -30.926 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.049 8.943 -32.215 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.968 7.322 -31.485 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.851 7.763 -32.798 1.00 0.00 H new ATOM 167 N SER A 12 5.612 6.788 -28.256 1.00 0.00 N ATOM 168 CA SER A 12 5.073 6.937 -26.914 1.00 0.00 C ATOM 169 C SER A 12 6.227 7.243 -25.932 1.00 0.00 C ATOM 170 O SER A 12 6.386 6.579 -24.904 1.00 0.00 O ATOM 171 CB SER A 12 4.369 5.637 -26.524 1.00 0.00 C ATOM 172 OG SER A 12 3.399 5.260 -27.508 1.00 0.00 O ATOM 0 H SER A 12 5.858 5.829 -28.502 1.00 0.00 H new ATOM 0 HA SER A 12 4.358 7.759 -26.878 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.105 4.841 -26.411 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.882 5.760 -25.557 1.00 0.00 H new ATOM 0 HG SER A 12 2.964 4.425 -27.236 1.00 0.00 H new ATOM 178 N SER A 13 7.011 8.253 -26.277 1.00 0.00 N ATOM 179 CA SER A 13 8.189 8.653 -25.538 1.00 0.00 C ATOM 180 C SER A 13 7.849 9.073 -24.093 1.00 0.00 C ATOM 181 O SER A 13 6.959 9.904 -23.863 1.00 0.00 O ATOM 182 CB SER A 13 8.854 9.801 -26.292 1.00 0.00 C ATOM 183 OG SER A 13 9.038 9.448 -27.672 1.00 0.00 O ATOM 0 H SER A 13 6.837 8.829 -27.101 1.00 0.00 H new ATOM 0 HA SER A 13 8.868 7.804 -25.461 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.240 10.699 -26.218 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.817 10.035 -25.837 1.00 0.00 H new ATOM 0 HG SER A 13 9.464 10.193 -28.146 1.00 0.00 H new ATOM 189 N SER A 14 8.527 8.465 -23.146 1.00 0.00 N ATOM 190 CA SER A 14 8.355 8.768 -21.755 1.00 0.00 C ATOM 191 C SER A 14 9.680 9.310 -21.203 1.00 0.00 C ATOM 192 O SER A 14 10.702 8.602 -21.185 1.00 0.00 O ATOM 193 CB SER A 14 7.885 7.505 -21.004 1.00 0.00 C ATOM 194 OG SER A 14 7.694 7.740 -19.614 1.00 0.00 O ATOM 0 H SER A 14 9.220 7.739 -23.329 1.00 0.00 H new ATOM 0 HA SER A 14 7.589 9.531 -21.616 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.951 7.152 -21.442 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.620 6.711 -21.138 1.00 0.00 H new ATOM 0 HG SER A 14 7.395 6.913 -19.181 1.00 0.00 H new ATOM 200 N THR A 15 9.648 10.558 -20.770 1.00 0.00 N ATOM 201 CA THR A 15 10.807 11.303 -20.292 1.00 0.00 C ATOM 202 C THR A 15 11.560 10.606 -19.124 1.00 0.00 C ATOM 203 O THR A 15 12.791 10.702 -19.025 1.00 0.00 O ATOM 204 CB THR A 15 10.346 12.720 -19.864 1.00 0.00 C ATOM 205 OG1 THR A 15 9.682 13.347 -20.975 1.00 0.00 O ATOM 206 CG2 THR A 15 11.514 13.593 -19.425 1.00 0.00 C ATOM 0 H THR A 15 8.786 11.102 -20.739 1.00 0.00 H new ATOM 0 HA THR A 15 11.521 11.356 -21.114 1.00 0.00 H new ATOM 0 HB THR A 15 9.672 12.613 -19.014 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.385 14.244 -20.715 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.144 14.576 -19.134 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.017 13.129 -18.576 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.219 13.700 -20.250 1.00 0.00 H new ATOM 214 N VAL A 16 10.840 9.896 -18.279 1.00 0.00 N ATOM 215 CA VAL A 16 11.443 9.266 -17.112 1.00 0.00 C ATOM 216 C VAL A 16 12.258 7.998 -17.478 1.00 0.00 C ATOM 217 O VAL A 16 13.140 7.570 -16.719 1.00 0.00 O ATOM 218 CB VAL A 16 10.372 8.957 -16.010 1.00 0.00 C ATOM 219 CG1 VAL A 16 9.377 7.901 -16.458 1.00 0.00 C ATOM 220 CG2 VAL A 16 11.015 8.584 -14.679 1.00 0.00 C ATOM 0 H VAL A 16 9.837 9.738 -18.375 1.00 0.00 H new ATOM 0 HA VAL A 16 12.150 9.986 -16.699 1.00 0.00 H new ATOM 0 HB VAL A 16 9.813 9.880 -15.855 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.655 7.720 -15.662 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.855 8.248 -17.350 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.906 6.975 -16.685 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.237 8.378 -13.944 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.634 7.697 -14.810 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.634 9.410 -14.330 1.00 0.00 H new ATOM 230 N VAL A 17 11.993 7.417 -18.633 1.00 0.00 N ATOM 231 CA VAL A 17 12.704 6.210 -19.022 1.00 0.00 C ATOM 232 C VAL A 17 13.600 6.445 -20.239 1.00 0.00 C ATOM 233 O VAL A 17 14.736 5.959 -20.298 1.00 0.00 O ATOM 234 CB VAL A 17 11.747 4.982 -19.224 1.00 0.00 C ATOM 235 CG1 VAL A 17 10.710 5.233 -20.304 1.00 0.00 C ATOM 236 CG2 VAL A 17 12.530 3.700 -19.505 1.00 0.00 C ATOM 0 H VAL A 17 11.305 7.751 -19.308 1.00 0.00 H new ATOM 0 HA VAL A 17 13.356 5.954 -18.187 1.00 0.00 H new ATOM 0 HB VAL A 17 11.210 4.849 -18.285 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.072 4.355 -20.407 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.101 6.095 -20.030 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.212 5.430 -21.251 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.835 2.871 -19.639 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.123 3.827 -20.411 1.00 0.00 H new ATOM 0 HG23 VAL A 17 13.191 3.486 -18.665 1.00 0.00 H new ATOM 246 N LYS A 18 13.118 7.208 -21.187 1.00 0.00 N ATOM 247 CA LYS A 18 13.891 7.481 -22.357 1.00 0.00 C ATOM 248 C LYS A 18 14.433 8.883 -22.361 1.00 0.00 C ATOM 249 O LYS A 18 13.722 9.855 -22.649 1.00 0.00 O ATOM 250 CB LYS A 18 13.155 7.163 -23.661 1.00 0.00 C ATOM 251 CG LYS A 18 12.927 5.677 -23.900 1.00 0.00 C ATOM 252 CD LYS A 18 12.355 5.429 -25.285 1.00 0.00 C ATOM 253 CE LYS A 18 12.144 3.947 -25.550 1.00 0.00 C ATOM 254 NZ LYS A 18 11.543 3.712 -26.878 1.00 0.00 N ATOM 0 H LYS A 18 12.197 7.646 -21.166 1.00 0.00 H new ATOM 0 HA LYS A 18 14.738 6.797 -22.311 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.191 7.671 -23.654 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.725 7.571 -24.496 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.868 5.139 -23.790 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.245 5.284 -23.146 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.406 5.955 -25.386 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.029 5.840 -26.036 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.099 3.426 -25.485 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.498 3.527 -24.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.413 2.691 -27.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.620 4.189 -26.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.171 4.091 -27.615 1.00 0.00 H new ATOM 268 N ASP A 19 15.672 8.988 -21.978 1.00 0.00 N ATOM 269 CA ASP A 19 16.404 10.236 -22.049 1.00 0.00 C ATOM 270 C ASP A 19 17.007 10.350 -23.430 1.00 0.00 C ATOM 271 O ASP A 19 17.261 11.456 -23.922 1.00 0.00 O ATOM 272 CB ASP A 19 17.524 10.302 -21.000 1.00 0.00 C ATOM 273 CG ASP A 19 18.567 9.227 -21.196 1.00 0.00 C ATOM 274 OD1 ASP A 19 18.395 8.125 -20.645 1.00 0.00 O ATOM 275 OD2 ASP A 19 19.553 9.443 -21.928 1.00 0.00 O ATOM 0 H ASP A 19 16.214 8.209 -21.604 1.00 0.00 H new ATOM 0 HA ASP A 19 15.716 11.057 -21.848 1.00 0.00 H new ATOM 0 HB2 ASP A 19 18.003 11.280 -21.046 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.091 10.206 -20.005 1.00 0.00 H new ATOM 280 N GLY A 20 17.219 9.202 -24.057 1.00 0.00 N ATOM 281 CA GLY A 20 17.770 9.163 -25.374 1.00 0.00 C ATOM 282 C GLY A 20 18.946 8.219 -25.475 1.00 0.00 C ATOM 283 O GLY A 20 18.925 7.278 -26.266 1.00 0.00 O ATOM 0 H GLY A 20 17.011 8.287 -23.658 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.998 8.855 -26.080 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.085 10.165 -25.664 1.00 0.00 H new ATOM 287 N LYS A 21 19.944 8.430 -24.644 1.00 0.00 N ATOM 288 CA LYS A 21 21.177 7.654 -24.737 1.00 0.00 C ATOM 289 C LYS A 21 21.309 6.678 -23.559 1.00 0.00 C ATOM 290 O LYS A 21 22.155 5.784 -23.568 1.00 0.00 O ATOM 291 CB LYS A 21 22.379 8.614 -24.832 1.00 0.00 C ATOM 292 CG LYS A 21 23.724 7.949 -25.086 1.00 0.00 C ATOM 293 CD LYS A 21 24.811 8.979 -25.316 1.00 0.00 C ATOM 294 CE LYS A 21 26.131 8.319 -25.654 1.00 0.00 C ATOM 295 NZ LYS A 21 27.178 9.307 -25.973 1.00 0.00 N ATOM 0 H LYS A 21 19.933 9.126 -23.899 1.00 0.00 H new ATOM 0 HA LYS A 21 21.152 7.045 -25.640 1.00 0.00 H new ATOM 0 HB2 LYS A 21 22.189 9.329 -25.632 1.00 0.00 H new ATOM 0 HB3 LYS A 21 22.443 9.183 -23.904 1.00 0.00 H new ATOM 0 HG2 LYS A 21 23.989 7.321 -24.235 1.00 0.00 H new ATOM 0 HG3 LYS A 21 23.650 7.294 -25.954 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.517 9.646 -26.127 1.00 0.00 H new ATOM 0 HD3 LYS A 21 24.927 9.594 -24.423 1.00 0.00 H new ATOM 0 HE2 LYS A 21 26.455 7.706 -24.813 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.994 7.649 -26.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 28.065 8.813 -26.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 26.881 9.876 -26.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 27.328 9.931 -25.154 1.00 0.00 H new ATOM 309 N THR A 22 20.441 6.851 -22.586 1.00 0.00 N ATOM 310 CA THR A 22 20.355 6.034 -21.384 1.00 0.00 C ATOM 311 C THR A 22 21.365 6.489 -20.325 1.00 0.00 C ATOM 312 O THR A 22 22.499 5.984 -20.235 1.00 0.00 O ATOM 313 CB THR A 22 20.427 4.505 -21.650 1.00 0.00 C ATOM 314 OG1 THR A 22 19.516 4.161 -22.722 1.00 0.00 O ATOM 315 CG2 THR A 22 20.015 3.732 -20.410 1.00 0.00 C ATOM 0 H THR A 22 19.744 7.595 -22.607 1.00 0.00 H new ATOM 0 HA THR A 22 19.355 6.199 -20.984 1.00 0.00 H new ATOM 0 HB THR A 22 21.452 4.248 -21.918 1.00 0.00 H new ATOM 0 HG1 THR A 22 19.561 3.197 -22.893 1.00 0.00 H new ATOM 0 HG21 THR A 22 20.071 2.662 -20.613 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.685 3.981 -19.587 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.993 3.997 -20.139 1.00 0.00 H new ATOM 323 N SER A 23 20.956 7.480 -19.579 1.00 0.00 N ATOM 324 CA SER A 23 21.749 8.059 -18.527 1.00 0.00 C ATOM 325 C SER A 23 20.898 8.073 -17.244 1.00 0.00 C ATOM 326 O SER A 23 19.751 7.588 -17.262 1.00 0.00 O ATOM 327 CB SER A 23 22.172 9.488 -18.950 1.00 0.00 C ATOM 328 OG SER A 23 23.096 10.083 -18.040 1.00 0.00 O ATOM 0 H SER A 23 20.041 7.918 -19.688 1.00 0.00 H new ATOM 0 HA SER A 23 22.655 7.482 -18.341 1.00 0.00 H new ATOM 0 HB2 SER A 23 22.620 9.450 -19.943 1.00 0.00 H new ATOM 0 HB3 SER A 23 21.285 10.118 -19.024 1.00 0.00 H new ATOM 0 HG SER A 23 23.331 10.981 -18.353 1.00 0.00 H new ATOM 334 N SER A 24 21.451 8.615 -16.152 1.00 0.00 N ATOM 335 CA SER A 24 20.770 8.712 -14.856 1.00 0.00 C ATOM 336 C SER A 24 20.347 7.328 -14.329 1.00 0.00 C ATOM 337 O SER A 24 19.243 7.159 -13.797 1.00 0.00 O ATOM 338 CB SER A 24 19.560 9.655 -14.971 1.00 0.00 C ATOM 339 OG SER A 24 19.968 10.931 -15.441 1.00 0.00 O ATOM 0 H SER A 24 22.394 9.003 -16.144 1.00 0.00 H new ATOM 0 HA SER A 24 21.472 9.126 -14.132 1.00 0.00 H new ATOM 0 HB2 SER A 24 18.823 9.229 -15.651 1.00 0.00 H new ATOM 0 HB3 SER A 24 19.076 9.756 -13.999 1.00 0.00 H new ATOM 0 HG SER A 24 19.187 11.519 -15.511 1.00 0.00 H new ATOM 345 N ALA A 25 21.228 6.354 -14.465 1.00 0.00 N ATOM 346 CA ALA A 25 20.949 5.001 -14.011 1.00 0.00 C ATOM 347 C ALA A 25 21.162 4.866 -12.506 1.00 0.00 C ATOM 348 O ALA A 25 20.234 4.527 -11.761 1.00 0.00 O ATOM 349 CB ALA A 25 21.815 4.001 -14.751 1.00 0.00 C ATOM 0 H ALA A 25 22.148 6.474 -14.888 1.00 0.00 H new ATOM 0 HA ALA A 25 19.902 4.790 -14.227 1.00 0.00 H new ATOM 0 HB1 ALA A 25 21.592 2.994 -14.397 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.611 4.064 -15.820 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.866 4.225 -14.569 1.00 0.00 H new ATOM 355 N SER A 26 22.365 5.140 -12.063 1.00 0.00 N ATOM 356 CA SER A 26 22.705 5.019 -10.672 1.00 0.00 C ATOM 357 C SER A 26 22.274 6.278 -9.927 1.00 0.00 C ATOM 358 O SER A 26 21.639 6.212 -8.852 1.00 0.00 O ATOM 359 CB SER A 26 24.210 4.799 -10.540 1.00 0.00 C ATOM 360 OG SER A 26 24.622 3.693 -11.338 1.00 0.00 O ATOM 0 H SER A 26 23.132 5.452 -12.658 1.00 0.00 H new ATOM 0 HA SER A 26 22.185 4.167 -10.234 1.00 0.00 H new ATOM 0 HB2 SER A 26 24.744 5.698 -10.849 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.467 4.619 -9.496 1.00 0.00 H new ATOM 0 HG SER A 26 25.589 3.565 -11.245 1.00 0.00 H new ATOM 366 N THR A 27 22.591 7.407 -10.503 1.00 0.00 N ATOM 367 CA THR A 27 22.262 8.669 -9.938 1.00 0.00 C ATOM 368 C THR A 27 21.134 9.309 -10.730 1.00 0.00 C ATOM 369 O THR A 27 21.303 9.588 -11.911 1.00 0.00 O ATOM 370 CB THR A 27 23.499 9.594 -9.955 1.00 0.00 C ATOM 371 OG1 THR A 27 24.109 9.556 -11.260 1.00 0.00 O ATOM 372 CG2 THR A 27 24.518 9.165 -8.913 1.00 0.00 C ATOM 0 H THR A 27 23.092 7.466 -11.390 1.00 0.00 H new ATOM 0 HA THR A 27 21.940 8.523 -8.907 1.00 0.00 H new ATOM 0 HB THR A 27 23.172 10.607 -9.722 1.00 0.00 H new ATOM 0 HG1 THR A 27 23.411 9.535 -11.947 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.378 9.834 -8.948 1.00 0.00 H new ATOM 0 HG22 THR A 27 24.065 9.207 -7.922 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.843 8.145 -9.120 1.00 0.00 H new ATOM 380 N PRO A 28 19.954 9.513 -10.118 1.00 0.00 N ATOM 381 CA PRO A 28 18.850 10.197 -10.789 1.00 0.00 C ATOM 382 C PRO A 28 19.162 11.689 -10.968 1.00 0.00 C ATOM 383 O PRO A 28 18.524 12.378 -11.761 1.00 0.00 O ATOM 384 CB PRO A 28 17.659 9.993 -9.846 1.00 0.00 C ATOM 385 CG PRO A 28 18.259 9.726 -8.511 1.00 0.00 C ATOM 386 CD PRO A 28 19.583 9.058 -8.763 1.00 0.00 C ATOM 0 HA PRO A 28 18.660 9.809 -11.790 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.021 10.876 -9.821 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.037 9.159 -10.172 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.392 10.653 -7.953 1.00 0.00 H new ATOM 0 HG3 PRO A 28 17.609 9.086 -7.915 1.00 0.00 H new ATOM 0 HD2 PRO A 28 20.327 9.354 -8.024 1.00 0.00 H new ATOM 0 HD3 PRO A 28 19.499 7.972 -8.714 1.00 0.00 H new ATOM 394 N ALA A 29 20.132 12.167 -10.180 1.00 0.00 N ATOM 395 CA ALA A 29 20.664 13.526 -10.227 1.00 0.00 C ATOM 396 C ALA A 29 19.617 14.585 -9.896 1.00 0.00 C ATOM 397 O ALA A 29 19.441 14.941 -8.721 1.00 0.00 O ATOM 398 CB ALA A 29 21.378 13.813 -11.549 1.00 0.00 C ATOM 0 H ALA A 29 20.582 11.593 -9.467 1.00 0.00 H new ATOM 0 HA ALA A 29 21.413 13.589 -9.438 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.759 14.834 -11.543 1.00 0.00 H new ATOM 0 HB2 ALA A 29 22.208 13.117 -11.673 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.677 13.692 -12.375 1.00 0.00 H new ATOM 404 N THR A 30 18.891 15.031 -10.898 1.00 0.00 N ATOM 405 CA THR A 30 17.881 16.045 -10.730 1.00 0.00 C ATOM 406 C THR A 30 16.521 15.371 -10.474 1.00 0.00 C ATOM 407 O THR A 30 15.514 16.043 -10.239 1.00 0.00 O ATOM 408 CB THR A 30 17.817 16.916 -11.999 1.00 0.00 C ATOM 409 OG1 THR A 30 19.162 17.195 -12.425 1.00 0.00 O ATOM 410 CG2 THR A 30 17.117 18.244 -11.720 1.00 0.00 C ATOM 0 H THR A 30 18.988 14.696 -11.857 1.00 0.00 H new ATOM 0 HA THR A 30 18.128 16.679 -9.878 1.00 0.00 H new ATOM 0 HB THR A 30 17.258 16.379 -12.765 1.00 0.00 H new ATOM 0 HG1 THR A 30 19.141 17.748 -13.234 1.00 0.00 H new ATOM 0 HG21 THR A 30 17.086 18.838 -12.633 1.00 0.00 H new ATOM 0 HG22 THR A 30 16.100 18.054 -11.376 1.00 0.00 H new ATOM 0 HG23 THR A 30 17.664 18.789 -10.951 1.00 0.00 H new ATOM 418 N ARG A 31 16.538 14.021 -10.507 1.00 0.00 N ATOM 419 CA ARG A 31 15.382 13.136 -10.251 1.00 0.00 C ATOM 420 C ARG A 31 14.162 13.470 -11.135 1.00 0.00 C ATOM 421 O ARG A 31 13.262 14.215 -10.729 1.00 0.00 O ATOM 422 CB ARG A 31 15.049 12.993 -8.732 1.00 0.00 C ATOM 423 CG ARG A 31 14.679 14.282 -8.014 1.00 0.00 C ATOM 424 CD ARG A 31 14.558 14.098 -6.533 1.00 0.00 C ATOM 425 NE ARG A 31 14.128 15.330 -5.866 1.00 0.00 N ATOM 426 CZ ARG A 31 13.935 15.454 -4.547 1.00 0.00 C ATOM 427 NH1 ARG A 31 14.195 14.428 -3.722 1.00 0.00 N ATOM 428 NH2 ARG A 31 13.508 16.605 -4.051 1.00 0.00 N ATOM 0 H ARG A 31 17.388 13.499 -10.720 1.00 0.00 H new ATOM 0 HA ARG A 31 15.688 12.138 -10.564 1.00 0.00 H new ATOM 0 HB2 ARG A 31 14.224 12.289 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.911 12.553 -8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.434 15.040 -8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 31 13.734 14.656 -8.409 1.00 0.00 H new ATOM 0 HD2 ARG A 31 13.844 13.302 -6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.518 13.780 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 31 13.964 16.151 -6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.542 13.546 -4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.045 14.530 -2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.327 17.393 -4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.360 16.704 -3.047 1.00 0.00 H new ATOM 442 N PRO A 32 14.154 12.901 -12.372 1.00 0.00 N ATOM 443 CA PRO A 32 13.160 13.191 -13.428 1.00 0.00 C ATOM 444 C PRO A 32 11.701 13.269 -12.979 1.00 0.00 C ATOM 445 O PRO A 32 11.105 14.354 -12.970 1.00 0.00 O ATOM 446 CB PRO A 32 13.359 12.044 -14.420 1.00 0.00 C ATOM 447 CG PRO A 32 14.797 11.706 -14.298 1.00 0.00 C ATOM 448 CD PRO A 32 15.151 11.904 -12.850 1.00 0.00 C ATOM 0 HA PRO A 32 13.330 14.190 -13.829 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.727 11.191 -14.175 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.106 12.347 -15.436 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.983 10.678 -14.607 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.403 12.346 -14.938 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.083 10.971 -12.291 1.00 0.00 H new ATOM 0 HD3 PRO A 32 16.171 12.271 -12.734 1.00 0.00 H new ATOM 456 N VAL A 33 11.127 12.153 -12.606 1.00 0.00 N ATOM 457 CA VAL A 33 9.701 12.119 -12.268 1.00 0.00 C ATOM 458 C VAL A 33 9.460 11.267 -11.028 1.00 0.00 C ATOM 459 O VAL A 33 9.038 11.763 -9.983 1.00 0.00 O ATOM 460 CB VAL A 33 8.824 11.551 -13.444 1.00 0.00 C ATOM 461 CG1 VAL A 33 7.346 11.631 -13.106 1.00 0.00 C ATOM 462 CG2 VAL A 33 9.091 12.272 -14.759 1.00 0.00 C ATOM 0 H VAL A 33 11.608 11.257 -12.525 1.00 0.00 H new ATOM 0 HA VAL A 33 9.405 13.151 -12.079 1.00 0.00 H new ATOM 0 HB VAL A 33 9.108 10.506 -13.570 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.761 11.232 -13.935 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.146 11.048 -12.207 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.068 12.671 -12.933 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.463 11.846 -15.542 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.861 13.332 -14.646 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.140 12.155 -15.032 1.00 0.00 H new ATOM 472 N THR A 34 9.798 10.007 -11.133 1.00 0.00 N ATOM 473 CA THR A 34 9.557 9.017 -10.101 1.00 0.00 C ATOM 474 C THR A 34 10.662 9.091 -9.005 1.00 0.00 C ATOM 475 O THR A 34 11.108 8.075 -8.473 1.00 0.00 O ATOM 476 CB THR A 34 9.574 7.631 -10.786 1.00 0.00 C ATOM 477 OG1 THR A 34 8.840 7.735 -12.031 1.00 0.00 O ATOM 478 CG2 THR A 34 8.887 6.575 -9.921 1.00 0.00 C ATOM 0 H THR A 34 10.261 9.626 -11.958 1.00 0.00 H new ATOM 0 HA THR A 34 8.599 9.197 -9.613 1.00 0.00 H new ATOM 0 HB THR A 34 10.610 7.334 -10.947 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.839 6.866 -12.484 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.916 5.612 -10.431 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.404 6.495 -8.965 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.850 6.864 -9.749 1.00 0.00 H new ATOM 486 N GLY A 35 11.035 10.292 -8.629 1.00 0.00 N ATOM 487 CA GLY A 35 12.075 10.464 -7.658 1.00 0.00 C ATOM 488 C GLY A 35 11.616 11.237 -6.456 1.00 0.00 C ATOM 489 O GLY A 35 12.104 12.327 -6.198 1.00 0.00 O ATOM 0 H GLY A 35 10.631 11.159 -8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.437 9.486 -7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.916 10.981 -8.119 1.00 0.00 H new ATOM 493 N SER A 36 10.652 10.691 -5.754 1.00 0.00 N ATOM 494 CA SER A 36 10.098 11.246 -4.520 1.00 0.00 C ATOM 495 C SER A 36 9.224 10.178 -3.856 1.00 0.00 C ATOM 496 O SER A 36 9.570 9.625 -2.805 1.00 0.00 O ATOM 497 CB SER A 36 9.256 12.539 -4.764 1.00 0.00 C ATOM 498 OG SER A 36 10.039 13.627 -5.256 1.00 0.00 O ATOM 0 H SER A 36 10.208 9.815 -6.028 1.00 0.00 H new ATOM 0 HA SER A 36 10.930 11.530 -3.875 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.460 12.319 -5.476 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.776 12.836 -3.831 1.00 0.00 H new ATOM 0 HG SER A 36 10.982 13.362 -5.290 1.00 0.00 H new ATOM 504 N TRP A 37 8.117 9.874 -4.499 1.00 0.00 N ATOM 505 CA TRP A 37 7.168 8.897 -4.004 1.00 0.00 C ATOM 506 C TRP A 37 7.504 7.532 -4.592 1.00 0.00 C ATOM 507 O TRP A 37 8.082 7.451 -5.684 1.00 0.00 O ATOM 508 CB TRP A 37 5.735 9.295 -4.403 1.00 0.00 C ATOM 509 CG TRP A 37 5.285 10.658 -3.909 1.00 0.00 C ATOM 510 CD1 TRP A 37 5.685 11.877 -4.383 1.00 0.00 C ATOM 511 CD2 TRP A 37 4.325 10.934 -2.881 1.00 0.00 C ATOM 512 NE1 TRP A 37 5.054 12.883 -3.701 1.00 0.00 N ATOM 513 CE2 TRP A 37 4.214 12.336 -2.779 1.00 0.00 C ATOM 514 CE3 TRP A 37 3.554 10.141 -2.033 1.00 0.00 C ATOM 515 CZ2 TRP A 37 3.367 12.953 -1.869 1.00 0.00 C ATOM 516 CZ3 TRP A 37 2.713 10.761 -1.131 1.00 0.00 C ATOM 517 CH2 TRP A 37 2.626 12.153 -1.057 1.00 0.00 C ATOM 0 H TRP A 37 7.847 10.300 -5.386 1.00 0.00 H new ATOM 0 HA TRP A 37 7.229 8.856 -2.916 1.00 0.00 H new ATOM 0 HB2 TRP A 37 5.658 9.276 -5.490 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.046 8.542 -4.022 1.00 0.00 H new ATOM 0 HD1 TRP A 37 6.397 12.025 -5.181 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.191 13.881 -3.858 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.613 9.064 -2.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.299 14.029 -1.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.110 10.157 -0.469 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.956 12.603 -0.340 1.00 0.00 H new ATOM 528 N LYS A 38 7.160 6.488 -3.895 1.00 0.00 N ATOM 529 CA LYS A 38 7.391 5.129 -4.347 1.00 0.00 C ATOM 530 C LYS A 38 6.049 4.491 -4.604 1.00 0.00 C ATOM 531 O LYS A 38 5.077 4.839 -3.952 1.00 0.00 O ATOM 532 CB LYS A 38 8.144 4.330 -3.275 1.00 0.00 C ATOM 533 CG LYS A 38 9.512 4.887 -2.907 1.00 0.00 C ATOM 534 CD LYS A 38 10.452 4.883 -4.102 1.00 0.00 C ATOM 535 CE LYS A 38 11.825 5.415 -3.736 1.00 0.00 C ATOM 536 NZ LYS A 38 11.794 6.818 -3.252 1.00 0.00 N ATOM 0 H LYS A 38 6.705 6.548 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 38 7.995 5.137 -5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.530 4.288 -2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.267 3.305 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.403 5.904 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.943 4.294 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.546 3.868 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.027 5.490 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.261 4.780 -2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.477 5.351 -4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.766 7.182 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.254 7.404 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.340 6.853 -2.317 1.00 0.00 H new ATOM 550 N LYS A 39 5.983 3.574 -5.526 1.00 0.00 N ATOM 551 CA LYS A 39 4.716 2.993 -5.891 1.00 0.00 C ATOM 552 C LYS A 39 4.539 1.631 -5.257 1.00 0.00 C ATOM 553 O LYS A 39 5.353 0.734 -5.445 1.00 0.00 O ATOM 554 CB LYS A 39 4.574 2.884 -7.415 1.00 0.00 C ATOM 555 CG LYS A 39 3.188 2.436 -7.871 1.00 0.00 C ATOM 556 CD LYS A 39 3.101 2.312 -9.382 1.00 0.00 C ATOM 557 CE LYS A 39 1.694 1.931 -9.819 1.00 0.00 C ATOM 558 NZ LYS A 39 1.595 1.767 -11.282 1.00 0.00 N ATOM 0 H LYS A 39 6.786 3.211 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 39 3.935 3.655 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.799 3.852 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.316 2.179 -7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.948 1.476 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.443 3.151 -7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.386 3.257 -9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.810 1.560 -9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.401 1.002 -9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.992 2.698 -9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.621 1.508 -11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.849 2.661 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.245 1.017 -11.592 1.00 0.00 H new ATOM 572 N ASN A 40 3.496 1.497 -4.501 1.00 0.00 N ATOM 573 CA ASN A 40 3.117 0.237 -3.902 1.00 0.00 C ATOM 574 C ASN A 40 2.217 -0.490 -4.898 1.00 0.00 C ATOM 575 O ASN A 40 1.558 0.171 -5.719 1.00 0.00 O ATOM 576 CB ASN A 40 2.359 0.501 -2.595 1.00 0.00 C ATOM 577 CG ASN A 40 1.897 -0.756 -1.903 1.00 0.00 C ATOM 578 OD1 ASN A 40 0.814 -1.250 -2.170 1.00 0.00 O ATOM 579 ND2 ASN A 40 2.699 -1.278 -1.033 1.00 0.00 N ATOM 0 H ASN A 40 2.867 2.267 -4.273 1.00 0.00 H new ATOM 0 HA ASN A 40 3.994 -0.369 -3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.003 1.063 -1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.493 1.129 -2.807 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.434 -2.132 -0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.597 -0.835 -0.837 1.00 0.00 H new ATOM 586 N GLN A 41 2.151 -1.816 -4.824 1.00 0.00 N ATOM 587 CA GLN A 41 1.386 -2.609 -5.786 1.00 0.00 C ATOM 588 C GLN A 41 -0.128 -2.300 -5.731 1.00 0.00 C ATOM 589 O GLN A 41 -0.850 -2.521 -6.699 1.00 0.00 O ATOM 590 CB GLN A 41 1.650 -4.103 -5.604 1.00 0.00 C ATOM 591 CG GLN A 41 1.123 -4.942 -6.756 1.00 0.00 C ATOM 592 CD GLN A 41 1.362 -6.427 -6.603 1.00 0.00 C ATOM 593 OE1 GLN A 41 2.403 -6.799 -5.917 1.00 0.00 O flip ATOM 594 NE2 GLN A 41 0.589 -7.243 -7.113 1.00 0.00 N flip ATOM 0 H GLN A 41 2.620 -2.368 -4.105 1.00 0.00 H new ATOM 0 HA GLN A 41 1.732 -2.321 -6.779 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.723 -4.267 -5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.187 -4.438 -4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.052 -4.767 -6.858 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.591 -4.604 -7.681 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.218 -6.917 -7.645 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.757 -8.243 -7.003 1.00 0.00 H new ATOM 603 N TYR A 42 -0.595 -1.734 -4.619 1.00 0.00 N ATOM 604 CA TYR A 42 -2.005 -1.336 -4.498 1.00 0.00 C ATOM 605 C TYR A 42 -2.285 -0.045 -5.294 1.00 0.00 C ATOM 606 O TYR A 42 -3.381 0.513 -5.240 1.00 0.00 O ATOM 607 CB TYR A 42 -2.419 -1.138 -3.027 1.00 0.00 C ATOM 608 CG TYR A 42 -2.324 -2.377 -2.147 1.00 0.00 C ATOM 609 CD1 TYR A 42 -2.763 -3.620 -2.597 1.00 0.00 C ATOM 610 CD2 TYR A 42 -1.795 -2.297 -0.868 1.00 0.00 C ATOM 611 CE1 TYR A 42 -2.674 -4.739 -1.793 1.00 0.00 C ATOM 612 CE2 TYR A 42 -1.703 -3.409 -0.062 1.00 0.00 C ATOM 613 CZ TYR A 42 -2.143 -4.626 -0.525 1.00 0.00 C ATOM 614 OH TYR A 42 -2.049 -5.737 0.286 1.00 0.00 O ATOM 0 H TYR A 42 -0.027 -1.540 -3.794 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.600 -2.149 -4.915 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.794 -0.357 -2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.446 -0.774 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.179 -3.710 -3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.448 -1.344 -0.497 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.018 -5.697 -2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.286 -3.325 0.931 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.651 -5.482 1.145 1.00 0.00 H new ATOM 624 N GLY A 43 -1.284 0.429 -6.025 1.00 0.00 N ATOM 625 CA GLY A 43 -1.432 1.624 -6.823 1.00 0.00 C ATOM 626 C GLY A 43 -1.370 2.848 -5.965 1.00 0.00 C ATOM 627 O GLY A 43 -1.902 3.902 -6.312 1.00 0.00 O ATOM 0 H GLY A 43 -0.361 -0.002 -6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.646 1.663 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.383 1.596 -7.355 1.00 0.00 H new ATOM 631 N THR A 44 -0.761 2.689 -4.829 1.00 0.00 N ATOM 632 CA THR A 44 -0.627 3.741 -3.890 1.00 0.00 C ATOM 633 C THR A 44 0.806 4.249 -3.915 1.00 0.00 C ATOM 634 O THR A 44 1.746 3.463 -3.848 1.00 0.00 O ATOM 635 CB THR A 44 -0.991 3.232 -2.486 1.00 0.00 C ATOM 636 OG1 THR A 44 -2.310 2.657 -2.533 1.00 0.00 O ATOM 637 CG2 THR A 44 -0.975 4.374 -1.489 1.00 0.00 C ATOM 0 H THR A 44 -0.340 1.809 -4.532 1.00 0.00 H new ATOM 0 HA THR A 44 -1.301 4.557 -4.148 1.00 0.00 H new ATOM 0 HB THR A 44 -0.262 2.485 -2.172 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.872 3.176 -3.145 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.235 3.997 -0.500 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.021 4.817 -1.459 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.699 5.131 -1.791 1.00 0.00 H new ATOM 645 N TRP A 45 0.965 5.525 -4.065 1.00 0.00 N ATOM 646 CA TRP A 45 2.277 6.124 -4.053 1.00 0.00 C ATOM 647 C TRP A 45 2.573 6.623 -2.663 1.00 0.00 C ATOM 648 O TRP A 45 1.847 7.438 -2.147 1.00 0.00 O ATOM 649 CB TRP A 45 2.351 7.258 -5.055 1.00 0.00 C ATOM 650 CG TRP A 45 2.276 6.818 -6.489 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.154 6.567 -7.227 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.386 6.616 -7.365 1.00 0.00 C ATOM 653 NE1 TRP A 45 1.507 6.212 -8.507 1.00 0.00 N ATOM 654 CE2 TRP A 45 2.870 6.237 -8.616 1.00 0.00 C ATOM 655 CE3 TRP A 45 4.768 6.720 -7.207 1.00 0.00 C ATOM 656 CZ2 TRP A 45 3.692 5.961 -9.704 1.00 0.00 C ATOM 657 CZ3 TRP A 45 5.579 6.446 -8.282 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.041 6.072 -9.518 1.00 0.00 C ATOM 0 H TRP A 45 0.199 6.185 -4.199 1.00 0.00 H new ATOM 0 HA TRP A 45 3.021 5.380 -4.337 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.537 7.956 -4.858 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.283 7.803 -4.902 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.141 6.637 -6.859 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.857 5.969 -9.255 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.193 7.010 -6.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.280 5.670 -10.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.651 6.521 -8.171 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.707 5.866 -10.343 1.00 0.00 H new ATOM 669 N TYR A 46 3.616 6.136 -2.066 1.00 0.00 N ATOM 670 CA TYR A 46 3.926 6.470 -0.693 1.00 0.00 C ATOM 671 C TYR A 46 5.295 7.097 -0.567 1.00 0.00 C ATOM 672 O TYR A 46 6.188 6.833 -1.376 1.00 0.00 O ATOM 673 CB TYR A 46 3.825 5.219 0.214 1.00 0.00 C ATOM 674 CG TYR A 46 4.814 4.107 -0.113 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.563 3.201 -1.133 1.00 0.00 C ATOM 676 CD2 TYR A 46 6.003 3.974 0.600 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.460 2.199 -1.435 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.905 2.974 0.300 1.00 0.00 C ATOM 679 CZ TYR A 46 6.628 2.091 -0.718 1.00 0.00 C ATOM 680 OH TYR A 46 7.529 1.091 -1.024 1.00 0.00 O ATOM 0 H TYR A 46 4.279 5.498 -2.506 1.00 0.00 H new ATOM 0 HA TYR A 46 3.190 7.203 -0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.975 5.526 1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.814 4.818 0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.648 3.282 -1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.222 4.665 1.401 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.246 1.502 -2.232 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.823 2.885 0.861 1.00 0.00 H new ATOM 0 HH TYR A 46 8.303 1.153 -0.426 1.00 0.00 H new ATOM 690 N LYS A 47 5.444 7.936 0.413 1.00 0.00 N ATOM 691 CA LYS A 47 6.706 8.511 0.754 1.00 0.00 C ATOM 692 C LYS A 47 6.863 8.460 2.268 1.00 0.00 C ATOM 693 O LYS A 47 5.897 8.723 3.009 1.00 0.00 O ATOM 694 CB LYS A 47 6.851 9.974 0.269 1.00 0.00 C ATOM 695 CG LYS A 47 5.868 10.958 0.898 1.00 0.00 C ATOM 696 CD LYS A 47 6.292 12.398 0.673 1.00 0.00 C ATOM 697 CE LYS A 47 5.300 13.365 1.302 1.00 0.00 C ATOM 698 NZ LYS A 47 5.789 14.760 1.296 1.00 0.00 N ATOM 0 H LYS A 47 4.676 8.245 1.008 1.00 0.00 H new ATOM 0 HA LYS A 47 7.484 7.935 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.866 10.312 0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.724 9.997 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.876 10.801 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.793 10.764 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.282 12.560 1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.369 12.595 -0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.354 13.312 0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.099 13.058 2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.979 15.411 1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.335 14.940 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.397 14.911 0.466 1.00 0.00 H new ATOM 712 N PRO A 48 8.029 8.064 2.754 1.00 0.00 N ATOM 713 CA PRO A 48 8.314 8.094 4.179 1.00 0.00 C ATOM 714 C PRO A 48 8.464 9.543 4.651 1.00 0.00 C ATOM 715 O PRO A 48 9.235 10.326 4.057 1.00 0.00 O ATOM 716 CB PRO A 48 9.649 7.348 4.299 1.00 0.00 C ATOM 717 CG PRO A 48 10.278 7.471 2.953 1.00 0.00 C ATOM 718 CD PRO A 48 9.153 7.523 1.967 1.00 0.00 C ATOM 0 HA PRO A 48 7.526 7.646 4.785 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.280 7.788 5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.495 6.303 4.570 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.891 8.370 2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.933 6.624 2.751 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.393 8.163 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.924 6.535 1.567 1.00 0.00 H new ATOM 726 N GLU A 49 7.704 9.912 5.656 1.00 0.00 N ATOM 727 CA GLU A 49 7.728 11.251 6.216 1.00 0.00 C ATOM 728 C GLU A 49 7.007 11.210 7.555 1.00 0.00 C ATOM 729 O GLU A 49 5.827 10.873 7.614 1.00 0.00 O ATOM 730 CB GLU A 49 7.029 12.230 5.247 1.00 0.00 C ATOM 731 CG GLU A 49 7.047 13.689 5.673 1.00 0.00 C ATOM 732 CD GLU A 49 6.422 14.594 4.635 1.00 0.00 C ATOM 733 OE1 GLU A 49 7.122 14.988 3.665 1.00 0.00 O ATOM 734 OE2 GLU A 49 5.239 14.944 4.757 1.00 0.00 O ATOM 0 H GLU A 49 7.043 9.286 6.116 1.00 0.00 H new ATOM 0 HA GLU A 49 8.753 11.594 6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.503 12.148 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.992 11.917 5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.512 13.797 6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.076 14.001 5.853 1.00 0.00 H new ATOM 741 N ASN A 50 7.701 11.564 8.611 1.00 0.00 N ATOM 742 CA ASN A 50 7.130 11.471 9.943 1.00 0.00 C ATOM 743 C ASN A 50 6.689 12.821 10.439 1.00 0.00 C ATOM 744 O ASN A 50 7.505 13.687 10.759 1.00 0.00 O ATOM 745 CB ASN A 50 8.098 10.789 10.925 1.00 0.00 C ATOM 746 CG ASN A 50 7.501 10.557 12.316 1.00 0.00 C ATOM 747 OD1 ASN A 50 7.639 11.383 13.221 1.00 0.00 O ATOM 748 ND2 ASN A 50 6.873 9.425 12.502 1.00 0.00 N ATOM 0 H ASN A 50 8.657 11.918 8.579 1.00 0.00 H new ATOM 0 HA ASN A 50 6.243 10.841 9.881 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.409 9.831 10.508 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.995 11.401 11.022 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.480 9.204 13.417 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.776 8.763 11.732 1.00 0.00 H new ATOM 755 N ALA A 51 5.402 13.000 10.484 1.00 0.00 N ATOM 756 CA ALA A 51 4.814 14.243 10.886 1.00 0.00 C ATOM 757 C ALA A 51 3.556 13.973 11.684 1.00 0.00 C ATOM 758 O ALA A 51 3.174 12.812 11.873 1.00 0.00 O ATOM 759 CB ALA A 51 4.514 15.108 9.671 1.00 0.00 C ATOM 0 H ALA A 51 4.723 12.279 10.240 1.00 0.00 H new ATOM 0 HA ALA A 51 5.518 14.787 11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.068 16.048 9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.439 15.312 9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.820 14.584 9.014 1.00 0.00 H new ATOM 765 N THR A 52 2.909 15.010 12.132 1.00 0.00 N ATOM 766 CA THR A 52 1.738 14.874 12.944 1.00 0.00 C ATOM 767 C THR A 52 0.499 15.444 12.214 1.00 0.00 C ATOM 768 O THR A 52 0.615 16.323 11.352 1.00 0.00 O ATOM 769 CB THR A 52 1.977 15.596 14.293 1.00 0.00 C ATOM 770 OG1 THR A 52 3.189 15.076 14.890 1.00 0.00 O ATOM 771 CG2 THR A 52 0.818 15.397 15.258 1.00 0.00 C ATOM 0 H THR A 52 3.180 15.975 11.943 1.00 0.00 H new ATOM 0 HA THR A 52 1.543 13.819 13.135 1.00 0.00 H new ATOM 0 HB THR A 52 2.065 16.665 14.097 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.352 15.527 15.745 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.027 15.920 16.191 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.096 15.795 14.816 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.691 14.333 15.459 1.00 0.00 H new ATOM 779 N PHE A 53 -0.645 14.884 12.507 1.00 0.00 N ATOM 780 CA PHE A 53 -1.914 15.330 12.002 1.00 0.00 C ATOM 781 C PHE A 53 -2.873 15.435 13.167 1.00 0.00 C ATOM 782 O PHE A 53 -3.011 14.494 13.953 1.00 0.00 O ATOM 783 CB PHE A 53 -2.462 14.348 10.947 1.00 0.00 C ATOM 784 CG PHE A 53 -3.860 14.660 10.466 1.00 0.00 C ATOM 785 CD1 PHE A 53 -4.089 15.701 9.585 1.00 0.00 C ATOM 786 CD2 PHE A 53 -4.943 13.901 10.896 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.365 15.983 9.143 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.219 14.179 10.457 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.433 15.221 9.581 1.00 0.00 C ATOM 0 H PHE A 53 -0.720 14.077 13.126 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.797 16.300 11.519 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.789 14.343 10.090 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.452 13.342 11.366 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.260 16.300 9.239 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.782 13.083 11.583 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.530 16.799 8.455 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.051 13.581 10.799 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.433 15.442 9.237 1.00 0.00 H new ATOM 799 N VAL A 54 -3.493 16.564 13.303 1.00 0.00 N ATOM 800 CA VAL A 54 -4.450 16.784 14.348 1.00 0.00 C ATOM 801 C VAL A 54 -5.819 16.905 13.714 1.00 0.00 C ATOM 802 O VAL A 54 -6.121 17.899 13.051 1.00 0.00 O ATOM 803 CB VAL A 54 -4.139 18.071 15.174 1.00 0.00 C ATOM 804 CG1 VAL A 54 -5.118 18.227 16.333 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.704 18.057 15.689 1.00 0.00 C ATOM 0 H VAL A 54 -3.351 17.366 12.690 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.408 15.943 15.040 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.256 18.927 14.509 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.879 19.132 16.892 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.134 18.299 15.944 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.042 17.362 16.992 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.514 18.965 16.261 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.556 17.187 16.329 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.015 18.009 14.846 1.00 0.00 H new ATOM 815 N ASN A 55 -6.619 15.883 13.869 1.00 0.00 N ATOM 816 CA ASN A 55 -7.963 15.866 13.295 1.00 0.00 C ATOM 817 C ASN A 55 -8.844 16.836 14.066 1.00 0.00 C ATOM 818 O ASN A 55 -8.596 17.075 15.251 1.00 0.00 O ATOM 819 CB ASN A 55 -8.558 14.452 13.363 1.00 0.00 C ATOM 820 CG ASN A 55 -9.932 14.369 12.720 1.00 0.00 C ATOM 821 OD1 ASN A 55 -10.239 15.099 11.785 1.00 0.00 O ATOM 822 ND2 ASN A 55 -10.765 13.511 13.221 1.00 0.00 N ATOM 0 H ASN A 55 -6.373 15.041 14.389 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.911 16.167 12.249 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.885 13.753 12.866 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.628 14.140 14.405 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.706 13.430 12.837 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.479 12.917 14.000 1.00 0.00 H new ATOM 829 N GLY A 56 -9.856 17.389 13.440 1.00 0.00 N ATOM 830 CA GLY A 56 -10.665 18.339 14.148 1.00 0.00 C ATOM 831 C GLY A 56 -12.064 18.501 13.626 1.00 0.00 C ATOM 832 O GLY A 56 -13.001 18.585 14.412 1.00 0.00 O ATOM 0 H GLY A 56 -10.129 17.204 12.475 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.717 18.039 15.195 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.168 19.309 14.118 1.00 0.00 H new ATOM 836 N ASN A 57 -12.224 18.524 12.323 1.00 0.00 N ATOM 837 CA ASN A 57 -13.522 18.835 11.732 1.00 0.00 C ATOM 838 C ASN A 57 -14.535 17.715 11.926 1.00 0.00 C ATOM 839 O ASN A 57 -15.647 17.953 12.399 1.00 0.00 O ATOM 840 CB ASN A 57 -13.373 19.208 10.245 1.00 0.00 C ATOM 841 CG ASN A 57 -14.688 19.566 9.551 1.00 0.00 C ATOM 842 OD1 ASN A 57 -14.739 19.348 8.264 1.00 0.00 O flip ATOM 843 ND2 ASN A 57 -15.633 20.063 10.163 1.00 0.00 N flip ATOM 0 H ASN A 57 -11.482 18.334 11.649 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.915 19.702 12.263 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.690 20.053 10.161 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.913 18.373 9.717 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.563 20.221 11.168 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -16.486 20.317 9.665 1.00 0.00 H new ATOM 850 N GLN A 58 -14.160 16.502 11.623 1.00 0.00 N ATOM 851 CA GLN A 58 -15.101 15.410 11.720 1.00 0.00 C ATOM 852 C GLN A 58 -14.390 14.135 12.128 1.00 0.00 C ATOM 853 O GLN A 58 -13.186 14.012 11.919 1.00 0.00 O ATOM 854 CB GLN A 58 -15.810 15.199 10.367 1.00 0.00 C ATOM 855 CG GLN A 58 -14.882 14.785 9.229 1.00 0.00 C ATOM 856 CD GLN A 58 -15.603 14.560 7.917 1.00 0.00 C ATOM 857 OE1 GLN A 58 -16.623 15.192 7.627 1.00 0.00 O ATOM 858 NE2 GLN A 58 -15.092 13.662 7.121 1.00 0.00 N ATOM 0 H GLN A 58 -13.224 16.243 11.311 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.843 15.660 12.479 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.579 14.436 10.488 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.318 16.122 10.088 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.123 15.555 9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.360 13.870 9.510 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.248 13.159 7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.537 13.462 6.225 1.00 0.00 H new ATOM 867 N PRO A 59 -15.093 13.197 12.772 1.00 0.00 N ATOM 868 CA PRO A 59 -14.551 11.873 13.023 1.00 0.00 C ATOM 869 C PRO A 59 -14.357 11.168 11.680 1.00 0.00 C ATOM 870 O PRO A 59 -15.316 11.003 10.898 1.00 0.00 O ATOM 871 CB PRO A 59 -15.643 11.171 13.845 1.00 0.00 C ATOM 872 CG PRO A 59 -16.488 12.276 14.374 1.00 0.00 C ATOM 873 CD PRO A 59 -16.445 13.350 13.335 1.00 0.00 C ATOM 0 HA PRO A 59 -13.592 11.879 13.540 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.226 10.488 13.227 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.212 10.581 14.653 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.510 11.939 14.547 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.106 12.639 15.328 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -17.217 13.213 12.578 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.595 14.339 13.768 1.00 0.00 H new ATOM 881 N ILE A 60 -13.167 10.747 11.413 1.00 0.00 N ATOM 882 CA ILE A 60 -12.853 10.198 10.126 1.00 0.00 C ATOM 883 C ILE A 60 -12.689 8.711 10.263 1.00 0.00 C ATOM 884 O ILE A 60 -11.928 8.253 11.100 1.00 0.00 O ATOM 885 CB ILE A 60 -11.524 10.786 9.570 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.553 12.321 9.574 1.00 0.00 C ATOM 887 CG2 ILE A 60 -11.275 10.275 8.155 1.00 0.00 C ATOM 888 CD1 ILE A 60 -10.248 12.961 9.141 1.00 0.00 C ATOM 0 H ILE A 60 -12.387 10.771 12.070 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.662 10.447 9.440 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.712 10.458 10.220 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.350 12.661 8.913 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.801 12.667 10.577 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.342 10.693 7.776 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.206 9.187 8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.098 10.579 7.508 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.348 14.046 9.170 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.450 12.652 9.816 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -10.007 12.646 8.126 1.00 0.00 H new ATOM 900 N VAL A 61 -13.421 7.965 9.490 1.00 0.00 N ATOM 901 CA VAL A 61 -13.267 6.541 9.513 1.00 0.00 C ATOM 902 C VAL A 61 -11.989 6.172 8.740 1.00 0.00 C ATOM 903 O VAL A 61 -11.822 6.521 7.557 1.00 0.00 O ATOM 904 CB VAL A 61 -14.533 5.787 8.988 1.00 0.00 C ATOM 905 CG1 VAL A 61 -14.868 6.133 7.545 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.399 4.281 9.182 1.00 0.00 C ATOM 0 H VAL A 61 -14.125 8.315 8.841 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.163 6.212 10.547 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.373 6.133 9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.755 5.581 7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.060 7.203 7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -14.030 5.864 6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.294 3.785 8.808 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.528 3.920 8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.278 4.060 10.243 1.00 0.00 H new ATOM 916 N THR A 62 -11.083 5.547 9.416 1.00 0.00 N ATOM 917 CA THR A 62 -9.831 5.222 8.858 1.00 0.00 C ATOM 918 C THR A 62 -9.849 3.802 8.318 1.00 0.00 C ATOM 919 O THR A 62 -10.622 2.944 8.789 1.00 0.00 O ATOM 920 CB THR A 62 -8.690 5.453 9.882 1.00 0.00 C ATOM 921 OG1 THR A 62 -8.940 4.736 11.097 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.579 6.929 10.212 1.00 0.00 C ATOM 0 H THR A 62 -11.202 5.248 10.384 1.00 0.00 H new ATOM 0 HA THR A 62 -9.634 5.887 8.017 1.00 0.00 H new ATOM 0 HB THR A 62 -7.763 5.095 9.434 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.204 4.891 11.726 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.775 7.081 10.932 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.363 7.490 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.519 7.278 10.639 1.00 0.00 H new ATOM 930 N ARG A 63 -9.050 3.561 7.320 1.00 0.00 N ATOM 931 CA ARG A 63 -9.039 2.291 6.662 1.00 0.00 C ATOM 932 C ARG A 63 -7.846 1.504 7.132 1.00 0.00 C ATOM 933 O ARG A 63 -6.743 2.043 7.260 1.00 0.00 O ATOM 934 CB ARG A 63 -9.034 2.481 5.155 1.00 0.00 C ATOM 935 CG ARG A 63 -10.214 3.317 4.642 1.00 0.00 C ATOM 936 CD ARG A 63 -11.563 2.673 4.930 1.00 0.00 C ATOM 937 NE ARG A 63 -12.684 3.568 4.573 1.00 0.00 N ATOM 938 CZ ARG A 63 -13.848 3.180 4.017 1.00 0.00 C ATOM 939 NH1 ARG A 63 -14.031 1.912 3.632 1.00 0.00 N ATOM 940 NH2 ARG A 63 -14.821 4.061 3.850 1.00 0.00 N ATOM 0 H ARG A 63 -8.389 4.239 6.941 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.940 1.731 6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.102 2.963 4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.054 1.504 4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.182 4.304 5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.109 3.464 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.648 1.742 4.370 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.625 2.416 5.987 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.566 4.563 4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.285 1.228 3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.917 1.629 3.212 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.688 5.029 4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.704 3.772 3.429 1.00 0.00 H new ATOM 954 N ILE A 64 -8.055 0.255 7.387 1.00 0.00 N ATOM 955 CA ILE A 64 -7.046 -0.560 8.009 1.00 0.00 C ATOM 956 C ILE A 64 -6.383 -1.537 7.020 1.00 0.00 C ATOM 957 O ILE A 64 -7.051 -2.133 6.176 1.00 0.00 O ATOM 958 CB ILE A 64 -7.670 -1.339 9.209 1.00 0.00 C ATOM 959 CG1 ILE A 64 -8.296 -0.351 10.217 1.00 0.00 C ATOM 960 CG2 ILE A 64 -6.631 -2.210 9.898 1.00 0.00 C ATOM 961 CD1 ILE A 64 -8.967 -1.006 11.412 1.00 0.00 C ATOM 0 H ILE A 64 -8.924 -0.235 7.174 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.260 0.104 8.367 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.451 -1.992 8.820 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.518 0.321 10.578 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.031 0.263 9.696 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.095 -2.740 10.730 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.231 -2.931 9.186 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.822 -1.583 10.273 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.378 -0.236 12.066 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.771 -1.656 11.067 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.234 -1.596 11.962 1.00 0.00 H new ATOM 973 N GLY A 65 -5.058 -1.614 7.093 1.00 0.00 N ATOM 974 CA GLY A 65 -4.273 -2.615 6.388 1.00 0.00 C ATOM 975 C GLY A 65 -3.947 -2.317 4.932 1.00 0.00 C ATOM 976 O GLY A 65 -2.964 -2.846 4.404 1.00 0.00 O ATOM 0 H GLY A 65 -4.494 -0.973 7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.336 -2.755 6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.810 -3.563 6.431 1.00 0.00 H new ATOM 980 N SER A 66 -4.726 -1.492 4.283 1.00 0.00 N ATOM 981 CA SER A 66 -4.489 -1.142 2.885 1.00 0.00 C ATOM 982 C SER A 66 -5.162 0.190 2.572 1.00 0.00 C ATOM 983 O SER A 66 -6.230 0.471 3.114 1.00 0.00 O ATOM 984 CB SER A 66 -5.054 -2.239 1.947 1.00 0.00 C ATOM 985 OG SER A 66 -4.447 -3.506 2.191 1.00 0.00 O ATOM 0 H SER A 66 -5.542 -1.039 4.696 1.00 0.00 H new ATOM 0 HA SER A 66 -3.414 -1.060 2.722 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.132 -2.319 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.889 -1.950 0.909 1.00 0.00 H new ATOM 0 HG SER A 66 -3.659 -3.607 1.617 1.00 0.00 H new ATOM 991 N PRO A 67 -4.545 1.053 1.755 1.00 0.00 N ATOM 992 CA PRO A 67 -5.171 2.283 1.347 1.00 0.00 C ATOM 993 C PRO A 67 -5.982 2.092 0.054 1.00 0.00 C ATOM 994 O PRO A 67 -5.437 1.759 -0.995 1.00 0.00 O ATOM 995 CB PRO A 67 -3.982 3.229 1.114 1.00 0.00 C ATOM 996 CG PRO A 67 -2.766 2.343 0.960 1.00 0.00 C ATOM 997 CD PRO A 67 -3.201 0.915 1.186 1.00 0.00 C ATOM 0 HA PRO A 67 -5.880 2.661 2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.137 3.837 0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.860 3.916 1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.334 2.457 -0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.995 2.625 1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.215 0.348 0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.528 0.393 1.867 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.260 2.348 0.160 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.249 2.235 -0.901 1.00 0.00 C ATOM 1007 C PHE A 68 -9.489 2.898 -0.392 1.00 0.00 C ATOM 1008 O PHE A 68 -9.613 3.125 0.815 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.639 0.764 -1.242 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.642 -0.062 -1.999 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -7.395 0.192 -3.338 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -6.971 -1.107 -1.383 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -6.496 -0.573 -4.047 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -6.074 -1.878 -2.088 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.837 -1.612 -3.422 1.00 0.00 C ATOM 0 H PHE A 68 -7.671 2.660 1.040 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.826 2.682 -1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.860 0.250 -0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.563 0.787 -1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.914 1.000 -3.832 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.154 -1.319 -0.340 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.307 -0.361 -5.089 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.557 -2.690 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.135 -2.217 -3.977 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.412 3.170 -1.268 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.702 3.715 -0.880 1.00 0.00 C ATOM 1027 C LEU A 69 -12.623 2.565 -0.499 1.00 0.00 C ATOM 1028 O LEU A 69 -13.670 2.754 0.112 1.00 0.00 O ATOM 1029 CB LEU A 69 -12.310 4.519 -2.032 1.00 0.00 C ATOM 1030 CG LEU A 69 -11.497 5.721 -2.513 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -12.157 6.350 -3.727 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -11.362 6.745 -1.396 1.00 0.00 C ATOM 0 H LEU A 69 -10.303 3.025 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.575 4.385 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.463 3.847 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.294 4.871 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.501 5.379 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.568 7.205 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.216 5.616 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.161 6.682 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.781 7.596 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.352 7.083 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.856 6.290 -0.545 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.207 1.369 -0.874 1.00 0.00 N ATOM 1045 CA ASN A 70 -12.943 0.143 -0.586 1.00 0.00 C ATOM 1046 C ASN A 70 -12.237 -0.662 0.504 1.00 0.00 C ATOM 1047 O ASN A 70 -12.562 -1.829 0.744 1.00 0.00 O ATOM 1048 CB ASN A 70 -13.091 -0.721 -1.863 1.00 0.00 C ATOM 1049 CG ASN A 70 -11.766 -1.255 -2.423 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -11.108 -0.594 -3.225 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -11.388 -2.452 -2.039 1.00 0.00 N ATOM 0 H ASN A 70 -11.342 1.216 -1.392 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.936 0.421 -0.234 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.745 -1.565 -1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.584 -0.128 -2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.528 -2.858 -2.407 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.955 -2.976 -1.372 1.00 0.00 H new ATOM 1058 N ALA A 71 -11.301 -0.028 1.173 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.500 -0.677 2.205 1.00 0.00 C ATOM 1060 C ALA A 71 -11.334 -0.920 3.483 1.00 0.00 C ATOM 1061 O ALA A 71 -12.327 -0.218 3.708 1.00 0.00 O ATOM 1062 CB ALA A 71 -9.292 0.181 2.507 1.00 0.00 C ATOM 0 H ALA A 71 -11.068 0.953 1.022 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.170 -1.650 1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.689 -0.298 3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.696 0.301 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.619 1.159 2.859 1.00 0.00 H new ATOM 1068 N PRO A 72 -10.942 -1.923 4.320 1.00 0.00 N ATOM 1069 CA PRO A 72 -11.672 -2.292 5.557 1.00 0.00 C ATOM 1070 C PRO A 72 -11.861 -1.139 6.558 1.00 0.00 C ATOM 1071 O PRO A 72 -10.957 -0.310 6.775 1.00 0.00 O ATOM 1072 CB PRO A 72 -10.796 -3.382 6.187 1.00 0.00 C ATOM 1073 CG PRO A 72 -10.033 -3.952 5.049 1.00 0.00 C ATOM 1074 CD PRO A 72 -9.766 -2.807 4.121 1.00 0.00 C ATOM 0 HA PRO A 72 -12.688 -2.602 5.312 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.130 -2.967 6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.402 -4.143 6.679 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.102 -4.404 5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.603 -4.735 4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.834 -2.298 4.368 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.683 -3.139 3.086 1.00 0.00 H new ATOM 1082 N VAL A 73 -13.038 -1.116 7.156 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.434 -0.147 8.168 1.00 0.00 C ATOM 1084 C VAL A 73 -13.256 -0.729 9.568 1.00 0.00 C ATOM 1085 O VAL A 73 -12.911 -1.913 9.725 1.00 0.00 O ATOM 1086 CB VAL A 73 -14.901 0.360 7.999 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -15.076 1.091 6.690 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -15.914 -0.778 8.120 1.00 0.00 C ATOM 0 H VAL A 73 -13.771 -1.793 6.945 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.778 0.713 8.033 1.00 0.00 H new ATOM 0 HB VAL A 73 -15.093 1.060 8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -16.107 1.433 6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.405 1.950 6.660 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.842 0.419 5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -16.922 -0.382 7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -15.719 -1.522 7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.824 -1.242 9.102 1.00 0.00 H new ATOM 1098 N GLY A 74 -13.498 0.088 10.569 1.00 0.00 N ATOM 1099 CA GLY A 74 -13.340 -0.330 11.943 1.00 0.00 C ATOM 1100 C GLY A 74 -12.346 0.526 12.663 1.00 0.00 C ATOM 1101 O GLY A 74 -12.204 0.441 13.881 1.00 0.00 O ATOM 0 H GLY A 74 -13.807 1.053 10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.302 -0.280 12.453 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.016 -1.370 11.974 1.00 0.00 H new ATOM 1105 N GLY A 75 -11.668 1.352 11.922 1.00 0.00 N ATOM 1106 CA GLY A 75 -10.814 2.324 12.518 1.00 0.00 C ATOM 1107 C GLY A 75 -11.518 3.647 12.488 1.00 0.00 C ATOM 1108 O GLY A 75 -12.040 4.033 11.453 1.00 0.00 O ATOM 0 H GLY A 75 -11.693 1.368 10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.576 2.043 13.544 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.870 2.383 11.977 1.00 0.00 H new ATOM 1112 N ASN A 76 -11.632 4.300 13.597 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.276 5.598 13.613 1.00 0.00 C ATOM 1114 C ASN A 76 -11.400 6.610 14.291 1.00 0.00 C ATOM 1115 O ASN A 76 -10.958 6.399 15.416 1.00 0.00 O ATOM 1116 CB ASN A 76 -13.670 5.547 14.260 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.372 6.908 14.259 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -15.046 7.276 13.297 1.00 0.00 O ATOM 1119 ND2 ASN A 76 -14.258 7.637 15.336 1.00 0.00 N ATOM 0 H ASN A 76 -11.296 3.972 14.502 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.422 5.904 12.577 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.287 4.824 13.727 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.577 5.191 15.286 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.734 8.537 15.395 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.693 7.307 16.118 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.130 7.678 13.609 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.323 8.738 14.131 1.00 0.00 C ATOM 1128 C LEU A 77 -11.214 9.842 14.700 1.00 0.00 C ATOM 1129 O LEU A 77 -11.890 10.548 13.939 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.421 9.304 13.030 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.499 10.444 13.443 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.599 10.003 14.565 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.678 10.926 12.264 1.00 0.00 C ATOM 0 H LEU A 77 -11.468 7.842 12.661 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.696 8.344 14.930 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.809 8.493 12.636 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.053 9.652 12.213 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.113 11.275 13.791 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.945 10.826 14.852 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.204 9.706 15.421 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.995 9.157 14.236 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.027 11.740 12.583 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.072 10.104 11.883 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.344 11.281 11.477 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.260 9.988 16.033 1.00 0.00 N ATOM 1146 CA PRO A 78 -12.053 11.028 16.678 1.00 0.00 C ATOM 1147 C PRO A 78 -11.501 12.435 16.396 1.00 0.00 C ATOM 1148 O PRO A 78 -10.332 12.609 16.004 1.00 0.00 O ATOM 1149 CB PRO A 78 -11.951 10.701 18.174 1.00 0.00 C ATOM 1150 CG PRO A 78 -10.729 9.870 18.316 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.555 9.137 17.023 1.00 0.00 C ATOM 0 HA PRO A 78 -13.078 11.040 16.309 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.879 11.610 18.770 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.834 10.163 18.519 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.860 10.493 18.528 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.830 9.171 19.146 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.502 9.018 16.770 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.986 8.137 17.069 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.343 13.422 16.557 1.00 0.00 N ATOM 1160 CA ALA A 79 -11.956 14.795 16.358 1.00 0.00 C ATOM 1161 C ALA A 79 -11.139 15.264 17.558 1.00 0.00 C ATOM 1162 O ALA A 79 -11.473 14.940 18.710 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.187 15.663 16.157 1.00 0.00 C ATOM 0 H ALA A 79 -13.318 13.297 16.830 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.342 14.879 15.462 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.882 16.699 16.008 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.737 15.317 15.282 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.827 15.597 17.037 1.00 0.00 H new ATOM 1169 N GLY A 80 -10.064 15.967 17.300 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.210 16.446 18.363 1.00 0.00 C ATOM 1171 C GLY A 80 -8.045 15.510 18.609 1.00 0.00 C ATOM 1172 O GLY A 80 -7.180 15.784 19.441 1.00 0.00 O ATOM 0 H GLY A 80 -9.757 16.222 16.361 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.834 17.437 18.109 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.792 16.551 19.278 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.018 14.413 17.874 1.00 0.00 N ATOM 1177 CA ALA A 81 -6.993 13.404 18.034 1.00 0.00 C ATOM 1178 C ALA A 81 -5.695 13.811 17.362 1.00 0.00 C ATOM 1179 O ALA A 81 -5.695 14.300 16.219 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.467 12.074 17.495 1.00 0.00 C ATOM 0 H ALA A 81 -8.705 14.199 17.152 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.798 13.304 19.102 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.682 11.328 17.624 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.359 11.759 18.036 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.702 12.174 16.435 1.00 0.00 H new ATOM 1186 N THR A 82 -4.614 13.622 18.078 1.00 0.00 N ATOM 1187 CA THR A 82 -3.294 13.917 17.593 1.00 0.00 C ATOM 1188 C THR A 82 -2.642 12.611 17.099 1.00 0.00 C ATOM 1189 O THR A 82 -2.310 11.720 17.900 1.00 0.00 O ATOM 1190 CB THR A 82 -2.458 14.525 18.731 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.204 15.600 19.338 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.137 15.069 18.220 1.00 0.00 C ATOM 0 H THR A 82 -4.630 13.253 19.029 1.00 0.00 H new ATOM 0 HA THR A 82 -3.346 14.631 16.771 1.00 0.00 H new ATOM 0 HB THR A 82 -2.247 13.740 19.458 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.679 15.992 20.066 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.572 15.491 19.051 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.563 14.262 17.764 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.326 15.845 17.478 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.493 12.492 15.805 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.947 11.300 15.193 1.00 0.00 C ATOM 1202 C ILE A 83 -0.582 11.584 14.609 1.00 0.00 C ATOM 1203 O ILE A 83 -0.377 12.612 13.970 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.899 10.768 14.078 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -4.241 10.341 14.675 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -2.278 9.628 13.268 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -4.154 9.213 15.698 1.00 0.00 C ATOM 0 H ILE A 83 -2.747 13.222 15.139 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.851 10.537 15.965 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.066 11.592 13.384 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.705 11.207 15.148 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.900 10.029 13.865 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.984 9.296 12.506 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.364 9.978 12.788 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.043 8.796 13.932 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.153 8.978 16.066 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.723 8.329 15.229 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.524 9.525 16.531 1.00 0.00 H new ATOM 1219 N VAL A 84 0.335 10.698 14.846 1.00 0.00 N ATOM 1220 CA VAL A 84 1.648 10.808 14.289 1.00 0.00 C ATOM 1221 C VAL A 84 1.795 9.738 13.215 1.00 0.00 C ATOM 1222 O VAL A 84 1.455 8.574 13.435 1.00 0.00 O ATOM 1223 CB VAL A 84 2.765 10.708 15.380 1.00 0.00 C ATOM 1224 CG1 VAL A 84 2.707 9.394 16.154 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.145 10.927 14.771 1.00 0.00 C ATOM 0 H VAL A 84 0.194 9.876 15.433 1.00 0.00 H new ATOM 0 HA VAL A 84 1.774 11.794 13.843 1.00 0.00 H new ATOM 0 HB VAL A 84 2.578 11.505 16.099 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.503 9.375 16.899 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.742 9.308 16.653 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.835 8.560 15.464 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.903 10.852 15.551 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.331 10.169 14.010 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.189 11.916 14.316 1.00 0.00 H new ATOM 1235 N TYR A 85 2.235 10.127 12.065 1.00 0.00 N ATOM 1236 CA TYR A 85 2.353 9.212 10.960 1.00 0.00 C ATOM 1237 C TYR A 85 3.760 9.230 10.440 1.00 0.00 C ATOM 1238 O TYR A 85 4.447 10.239 10.559 1.00 0.00 O ATOM 1239 CB TYR A 85 1.342 9.556 9.845 1.00 0.00 C ATOM 1240 CG TYR A 85 1.442 10.974 9.304 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.300 11.288 8.259 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.668 11.996 9.840 1.00 0.00 C ATOM 1243 CE1 TYR A 85 2.383 12.572 7.769 1.00 0.00 C ATOM 1244 CE2 TYR A 85 0.749 13.281 9.351 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.606 13.562 8.319 1.00 0.00 C ATOM 1246 OH TYR A 85 1.685 14.845 7.827 1.00 0.00 O ATOM 0 H TYR A 85 2.524 11.083 11.857 1.00 0.00 H new ATOM 0 HA TYR A 85 2.120 8.206 11.308 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.482 8.857 9.020 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.334 9.399 10.228 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.912 10.512 7.823 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.008 11.779 10.654 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.056 12.800 6.956 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.140 14.064 9.779 1.00 0.00 H new ATOM 0 HH TYR A 85 1.071 15.424 8.324 1.00 0.00 H new ATOM 1256 N ASP A 86 4.188 8.137 9.875 1.00 0.00 N ATOM 1257 CA ASP A 86 5.540 8.040 9.346 1.00 0.00 C ATOM 1258 C ASP A 86 5.511 7.872 7.845 1.00 0.00 C ATOM 1259 O ASP A 86 6.561 7.719 7.201 1.00 0.00 O ATOM 1260 CB ASP A 86 6.317 6.871 9.979 1.00 0.00 C ATOM 1261 CG ASP A 86 5.740 5.515 9.641 1.00 0.00 C ATOM 1262 OD1 ASP A 86 6.084 4.939 8.574 1.00 0.00 O ATOM 1263 OD2 ASP A 86 4.935 4.990 10.431 1.00 0.00 O ATOM 0 H ASP A 86 3.627 7.293 9.763 1.00 0.00 H new ATOM 0 HA ASP A 86 6.052 8.968 9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.354 6.910 9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.326 6.994 11.062 1.00 0.00 H new ATOM 1268 N GLU A 87 4.334 7.942 7.274 1.00 0.00 N ATOM 1269 CA GLU A 87 4.191 7.713 5.872 1.00 0.00 C ATOM 1270 C GLU A 87 3.061 8.545 5.316 1.00 0.00 C ATOM 1271 O GLU A 87 2.018 8.705 5.959 1.00 0.00 O ATOM 1272 CB GLU A 87 3.907 6.244 5.657 1.00 0.00 C ATOM 1273 CG GLU A 87 3.983 5.759 4.229 1.00 0.00 C ATOM 1274 CD GLU A 87 3.844 4.273 4.183 1.00 0.00 C ATOM 1275 OE1 GLU A 87 4.668 3.583 4.827 1.00 0.00 O ATOM 1276 OE2 GLU A 87 2.891 3.761 3.584 1.00 0.00 O ATOM 0 H GLU A 87 3.466 8.156 7.765 1.00 0.00 H new ATOM 0 HA GLU A 87 5.108 7.998 5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.612 5.666 6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.911 6.026 6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.195 6.224 3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.933 6.057 3.786 1.00 0.00 H new ATOM 1283 N VAL A 88 3.280 9.083 4.156 1.00 0.00 N ATOM 1284 CA VAL A 88 2.284 9.826 3.438 1.00 0.00 C ATOM 1285 C VAL A 88 2.097 9.098 2.124 1.00 0.00 C ATOM 1286 O VAL A 88 3.077 8.801 1.454 1.00 0.00 O ATOM 1287 CB VAL A 88 2.752 11.278 3.157 1.00 0.00 C ATOM 1288 CG1 VAL A 88 1.654 12.080 2.499 1.00 0.00 C ATOM 1289 CG2 VAL A 88 3.208 11.962 4.431 1.00 0.00 C ATOM 0 H VAL A 88 4.174 9.018 3.669 1.00 0.00 H new ATOM 0 HA VAL A 88 1.363 9.892 4.017 1.00 0.00 H new ATOM 0 HB VAL A 88 3.600 11.224 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.006 13.094 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.378 11.612 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.784 12.113 3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.530 12.978 4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.383 11.994 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.039 11.406 4.865 1.00 0.00 H new ATOM 1299 N CYS A 89 0.888 8.777 1.774 1.00 0.00 N ATOM 1300 CA CYS A 89 0.648 8.011 0.583 1.00 0.00 C ATOM 1301 C CYS A 89 -0.573 8.496 -0.190 1.00 0.00 C ATOM 1302 O CYS A 89 -1.546 8.921 0.385 1.00 0.00 O ATOM 1303 CB CYS A 89 0.550 6.526 0.939 1.00 0.00 C ATOM 1304 SG CYS A 89 -0.593 6.136 2.283 1.00 0.00 S ATOM 0 H CYS A 89 0.050 9.033 2.295 1.00 0.00 H new ATOM 0 HA CYS A 89 1.494 8.155 -0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.244 5.974 0.050 1.00 0.00 H new ATOM 0 HB3 CYS A 89 1.543 6.167 1.211 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.928 7.231 2.900 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.493 8.453 -1.489 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.569 8.884 -2.335 1.00 0.00 C ATOM 1312 C ILE A 90 -2.281 7.689 -2.953 1.00 0.00 C ATOM 1313 O ILE A 90 -1.675 6.888 -3.678 1.00 0.00 O ATOM 1314 CB ILE A 90 -1.087 9.824 -3.492 1.00 0.00 C ATOM 1315 CG1 ILE A 90 -0.389 11.070 -2.938 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -2.271 10.235 -4.384 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.153 12.000 -4.013 1.00 0.00 C ATOM 0 H ILE A 90 0.326 8.116 -1.994 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.250 9.444 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.368 9.268 -4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.092 11.622 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.432 10.758 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.916 10.888 -5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.725 9.345 -4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.012 10.764 -3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.633 12.859 -3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.882 11.466 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.667 12.343 -4.644 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.524 7.561 -2.617 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.434 6.663 -3.266 1.00 0.00 C ATOM 1331 C GLN A 91 -5.442 7.591 -3.885 1.00 0.00 C ATOM 1332 O GLN A 91 -6.184 8.256 -3.153 1.00 0.00 O ATOM 1333 CB GLN A 91 -5.079 5.678 -2.261 1.00 0.00 C ATOM 1334 CG GLN A 91 -6.256 4.870 -2.817 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.908 3.975 -4.007 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -4.732 3.392 -4.012 1.00 0.00 O flip ATOM 1337 NE2 GLN A 91 -6.734 3.772 -4.893 1.00 0.00 N flip ATOM 0 H GLN A 91 -3.951 8.094 -1.859 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.953 6.017 -4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.314 4.985 -1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.421 6.240 -1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.663 4.249 -2.019 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -7.044 5.560 -3.117 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -7.640 4.240 -4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.514 3.136 -5.659 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.468 7.626 -5.212 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.149 8.673 -5.977 1.00 0.00 C ATOM 1348 C ALA A 92 -7.560 8.935 -5.502 1.00 0.00 C ATOM 1349 O ALA A 92 -8.437 8.062 -5.528 1.00 0.00 O ATOM 1350 CB ALA A 92 -6.122 8.346 -7.453 1.00 0.00 C ATOM 0 H ALA A 92 -5.014 6.924 -5.796 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.599 9.598 -5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.632 9.133 -8.009 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.088 8.274 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.627 7.395 -7.624 1.00 0.00 H new ATOM 1356 N GLY A 93 -7.736 10.141 -5.015 1.00 0.00 N ATOM 1357 CA GLY A 93 -8.966 10.566 -4.449 1.00 0.00 C ATOM 1358 C GLY A 93 -8.692 11.256 -3.137 1.00 0.00 C ATOM 1359 O GLY A 93 -9.283 12.285 -2.818 1.00 0.00 O ATOM 0 H GLY A 93 -7.008 10.856 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.479 11.244 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.624 9.711 -4.294 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.745 10.718 -2.388 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.362 11.256 -1.083 1.00 0.00 C ATOM 1365 C HIS A 94 -5.897 11.017 -0.827 1.00 0.00 C ATOM 1366 O HIS A 94 -5.276 10.177 -1.472 1.00 0.00 O ATOM 1367 CB HIS A 94 -8.188 10.626 0.065 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.590 11.135 0.181 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.635 10.658 -0.565 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -10.108 12.117 0.943 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.721 11.320 -0.269 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.433 12.213 0.639 1.00 0.00 N ATOM 0 H HIS A 94 -7.214 9.892 -2.664 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.565 12.327 -1.105 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.219 9.546 -0.079 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.671 10.807 1.007 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.574 9.902 -1.247 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.572 12.718 1.663 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.696 11.156 -0.703 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.350 11.748 0.083 1.00 0.00 N ATOM 1382 CA ILE A 95 -3.995 11.538 0.479 1.00 0.00 C ATOM 1383 C ILE A 95 -4.038 10.889 1.855 1.00 0.00 C ATOM 1384 O ILE A 95 -4.629 11.405 2.769 1.00 0.00 O ATOM 1385 CB ILE A 95 -3.157 12.861 0.435 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.692 12.611 0.800 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.764 13.955 1.309 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.813 13.837 0.639 1.00 0.00 C ATOM 0 H ILE A 95 -5.825 12.506 0.573 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.479 10.879 -0.219 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.187 13.218 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.636 12.266 1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.301 11.808 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.149 14.853 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.772 14.181 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.805 13.614 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.212 13.589 0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.839 14.170 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.179 14.635 1.285 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.472 9.747 1.964 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.611 8.938 3.136 1.00 0.00 C ATOM 1402 C TRP A 96 -2.362 8.979 3.965 1.00 0.00 C ATOM 1403 O TRP A 96 -1.248 8.929 3.435 1.00 0.00 O ATOM 1404 CB TRP A 96 -3.905 7.488 2.731 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.134 7.329 1.886 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.262 7.637 0.570 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.396 6.806 2.294 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.531 7.368 0.139 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.246 6.849 1.175 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -6.891 6.312 3.495 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.559 6.419 1.224 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.195 5.884 3.543 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -9.018 5.939 2.414 1.00 0.00 C ATOM 0 H TRP A 96 -2.889 9.333 1.237 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.436 9.332 3.729 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -3.048 7.093 2.186 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.015 6.885 3.632 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.473 8.038 -0.049 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -6.884 7.530 -0.804 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.263 6.266 4.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.196 6.462 0.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.592 5.498 4.470 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.039 5.594 2.487 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.526 9.070 5.242 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.398 9.025 6.129 1.00 0.00 C ATOM 1426 C ILE A 97 -1.291 7.631 6.720 1.00 0.00 C ATOM 1427 O ILE A 97 -2.297 7.048 7.146 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.452 10.095 7.260 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.701 9.917 8.142 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.412 11.498 6.653 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.733 10.801 9.375 1.00 0.00 C ATOM 0 H ILE A 97 -3.430 9.176 5.702 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.511 9.262 5.541 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.579 9.961 7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.587 10.122 7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.763 8.875 8.456 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.450 12.241 7.450 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.490 11.623 6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.267 11.632 5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.647 10.609 9.937 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.869 10.582 10.002 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.706 11.848 9.073 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.105 7.092 6.696 1.00 0.00 N ATOM 1444 CA GLY A 98 0.127 5.773 7.200 1.00 0.00 C ATOM 1445 C GLY A 98 0.668 5.821 8.591 1.00 0.00 C ATOM 1446 O GLY A 98 1.766 6.360 8.824 1.00 0.00 O ATOM 0 H GLY A 98 0.725 7.555 6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.804 5.206 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.829 5.250 6.551 1.00 0.00 H new ATOM 1450 N TYR A 99 -0.082 5.301 9.516 1.00 0.00 N ATOM 1451 CA TYR A 99 0.324 5.303 10.889 1.00 0.00 C ATOM 1452 C TYR A 99 0.045 3.951 11.507 1.00 0.00 C ATOM 1453 O TYR A 99 -0.528 3.066 10.862 1.00 0.00 O ATOM 1454 CB TYR A 99 -0.390 6.429 11.674 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.900 6.297 11.803 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.759 6.822 10.842 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.463 5.669 12.905 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -4.132 6.721 10.984 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.824 5.560 13.049 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.657 6.087 12.092 1.00 0.00 C ATOM 1461 OH TYR A 99 -6.023 5.983 12.248 1.00 0.00 O ATOM 0 H TYR A 99 -0.988 4.866 9.342 1.00 0.00 H new ATOM 0 HA TYR A 99 1.396 5.496 10.939 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.038 6.474 12.676 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.168 7.380 11.189 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.348 7.315 9.973 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.817 5.257 13.666 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.788 7.135 10.233 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.239 5.061 13.912 1.00 0.00 H new ATOM 0 HH TYR A 99 -6.222 5.507 13.081 1.00 0.00 H new ATOM 1471 N ASN A 100 0.452 3.780 12.726 1.00 0.00 N ATOM 1472 CA ASN A 100 0.210 2.558 13.441 1.00 0.00 C ATOM 1473 C ASN A 100 -0.697 2.844 14.609 1.00 0.00 C ATOM 1474 O ASN A 100 -0.449 3.766 15.395 1.00 0.00 O ATOM 1475 CB ASN A 100 1.526 1.907 13.919 1.00 0.00 C ATOM 1476 CG ASN A 100 2.390 1.382 12.779 1.00 0.00 C ATOM 1477 OD1 ASN A 100 3.212 2.108 12.211 1.00 0.00 O ATOM 1478 ND2 ASN A 100 2.246 0.117 12.453 1.00 0.00 N ATOM 0 H ASN A 100 0.963 4.484 13.258 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.270 1.848 12.768 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.097 2.638 14.491 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.291 1.085 14.596 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.821 -0.288 11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.559 -0.460 12.939 1.00 0.00 H new ATOM 1485 N ALA A 101 -1.765 2.103 14.708 1.00 0.00 N ATOM 1486 CA ALA A 101 -2.689 2.263 15.813 1.00 0.00 C ATOM 1487 C ALA A 101 -2.193 1.435 16.996 1.00 0.00 C ATOM 1488 O ALA A 101 -1.160 0.760 16.876 1.00 0.00 O ATOM 1489 CB ALA A 101 -4.087 1.857 15.390 1.00 0.00 C ATOM 0 H ALA A 101 -2.024 1.378 14.039 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.735 3.309 16.116 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.772 1.982 16.229 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.412 2.484 14.560 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.084 0.813 15.077 1.00 0.00 H new ATOM 1495 N TYR A 102 -2.911 1.435 18.116 1.00 0.00 N ATOM 1496 CA TYR A 102 -2.445 0.708 19.308 1.00 0.00 C ATOM 1497 C TYR A 102 -2.462 -0.804 19.111 1.00 0.00 C ATOM 1498 O TYR A 102 -1.760 -1.539 19.800 1.00 0.00 O ATOM 1499 CB TYR A 102 -3.185 1.124 20.595 1.00 0.00 C ATOM 1500 CG TYR A 102 -4.689 0.958 20.574 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -5.285 -0.279 20.812 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -5.511 2.042 20.330 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -6.656 -0.421 20.799 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -6.876 1.909 20.320 1.00 0.00 C ATOM 1505 CZ TYR A 102 -7.446 0.678 20.553 1.00 0.00 C ATOM 1506 OH TYR A 102 -8.820 0.548 20.538 1.00 0.00 O ATOM 0 H TYR A 102 -3.802 1.918 18.230 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.404 1.002 19.442 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.786 0.541 21.425 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.957 2.170 20.801 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.663 -1.140 21.010 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.071 3.011 20.144 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.106 -1.386 20.980 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.502 2.768 20.130 1.00 0.00 H new ATOM 0 HH TYR A 102 -9.229 1.419 20.351 1.00 0.00 H new ATOM 1516 N ASN A 103 -3.239 -1.270 18.147 1.00 0.00 N ATOM 1517 CA ASN A 103 -3.261 -2.697 17.804 1.00 0.00 C ATOM 1518 C ASN A 103 -1.967 -3.066 17.048 1.00 0.00 C ATOM 1519 O ASN A 103 -1.651 -4.228 16.849 1.00 0.00 O ATOM 1520 CB ASN A 103 -4.502 -3.036 16.947 1.00 0.00 C ATOM 1521 CG ASN A 103 -4.671 -4.533 16.669 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -4.298 -5.383 17.484 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -5.228 -4.860 15.537 1.00 0.00 N ATOM 0 H ASN A 103 -3.863 -0.690 17.586 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.318 -3.280 18.723 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.394 -2.667 17.454 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.432 -2.505 15.998 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.367 -5.843 15.302 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.525 -4.133 14.886 1.00 0.00 H new ATOM 1530 N GLY A 104 -1.229 -2.041 16.630 1.00 0.00 N ATOM 1531 CA GLY A 104 0.026 -2.235 15.925 1.00 0.00 C ATOM 1532 C GLY A 104 -0.173 -2.258 14.437 1.00 0.00 C ATOM 1533 O GLY A 104 0.780 -2.144 13.663 1.00 0.00 O ATOM 0 H GLY A 104 -1.484 -1.063 16.771 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.719 -1.435 16.188 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.483 -3.171 16.246 1.00 0.00 H new ATOM 1537 N ASN A 105 -1.419 -2.360 14.047 1.00 0.00 N ATOM 1538 CA ASN A 105 -1.807 -2.487 12.663 1.00 0.00 C ATOM 1539 C ASN A 105 -1.612 -1.152 11.945 1.00 0.00 C ATOM 1540 O ASN A 105 -1.725 -0.066 12.559 1.00 0.00 O ATOM 1541 CB ASN A 105 -3.276 -2.975 12.587 1.00 0.00 C ATOM 1542 CG ASN A 105 -3.704 -3.539 11.220 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -3.240 -3.123 10.166 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -4.573 -4.513 11.242 1.00 0.00 N ATOM 0 H ASN A 105 -2.207 -2.357 14.694 1.00 0.00 H new ATOM 0 HA ASN A 105 -1.179 -3.223 12.162 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.427 -3.744 13.344 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -3.933 -2.143 12.842 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.879 -4.944 10.369 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -4.946 -4.843 12.132 1.00 0.00 H new ATOM 1551 N ARG A 106 -1.283 -1.248 10.689 1.00 0.00 N ATOM 1552 CA ARG A 106 -1.020 -0.126 9.826 1.00 0.00 C ATOM 1553 C ARG A 106 -2.356 0.440 9.350 1.00 0.00 C ATOM 1554 O ARG A 106 -3.067 -0.185 8.554 1.00 0.00 O ATOM 1555 CB ARG A 106 -0.195 -0.621 8.632 1.00 0.00 C ATOM 1556 CG ARG A 106 0.466 0.452 7.793 1.00 0.00 C ATOM 1557 CD ARG A 106 1.466 1.233 8.614 1.00 0.00 C ATOM 1558 NE ARG A 106 2.358 2.044 7.789 1.00 0.00 N ATOM 1559 CZ ARG A 106 3.251 2.901 8.275 1.00 0.00 C ATOM 1560 NH1 ARG A 106 3.310 3.132 9.575 1.00 0.00 N ATOM 1561 NH2 ARG A 106 4.097 3.515 7.471 1.00 0.00 N ATOM 0 H ARG A 106 -1.186 -2.146 10.216 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.466 0.654 10.349 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.579 -1.292 9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.845 -1.211 7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.967 -0.004 6.939 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.291 1.127 7.395 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.933 1.880 9.310 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.059 0.541 9.212 1.00 0.00 H new ATOM 0 HE ARG A 106 2.292 1.947 6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.670 2.652 10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.996 3.790 9.945 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.070 3.334 6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.779 4.171 7.853 1.00 0.00 H new ATOM 1575 N VAL A 107 -2.703 1.582 9.851 1.00 0.00 N ATOM 1576 CA VAL A 107 -3.973 2.189 9.546 1.00 0.00 C ATOM 1577 C VAL A 107 -3.733 3.449 8.718 1.00 0.00 C ATOM 1578 O VAL A 107 -2.706 4.122 8.888 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.758 2.524 10.853 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -6.149 3.039 10.545 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -4.842 1.305 11.767 1.00 0.00 C ATOM 0 H VAL A 107 -2.118 2.126 10.485 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.580 1.489 8.972 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.208 3.311 11.369 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.669 3.263 11.477 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.077 3.945 9.943 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.704 2.280 9.993 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.394 1.565 12.670 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.356 0.496 11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.836 0.982 12.036 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.639 3.736 7.811 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.512 4.861 6.920 1.00 0.00 C ATOM 1593 C TYR A 108 -5.692 5.802 7.074 1.00 0.00 C ATOM 1594 O TYR A 108 -6.855 5.375 7.065 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.427 4.378 5.467 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.265 3.458 5.200 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -2.011 3.964 4.910 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -3.421 2.080 5.248 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -0.945 3.128 4.676 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -2.361 1.237 5.014 1.00 0.00 C ATOM 1601 CZ TYR A 108 -1.127 1.765 4.731 1.00 0.00 C ATOM 1602 OH TYR A 108 -0.070 0.929 4.505 1.00 0.00 O ATOM 0 H TYR A 108 -5.489 3.190 7.672 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.598 5.397 7.176 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.353 3.863 5.210 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.351 5.244 4.810 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.867 5.033 4.867 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.392 1.663 5.473 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.028 3.538 4.451 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.499 0.167 5.053 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.367 -0.002 4.582 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.400 7.064 7.223 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.427 8.075 7.324 1.00 0.00 C ATOM 1614 C CYS A 109 -6.422 8.903 6.050 1.00 0.00 C ATOM 1615 O CYS A 109 -5.360 9.345 5.617 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.203 8.969 8.549 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.462 10.244 8.785 1.00 0.00 S ATOM 0 H CYS A 109 -4.448 7.425 7.278 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.397 7.592 7.447 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.168 8.342 9.440 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.229 9.450 8.459 1.00 0.00 H new ATOM 0 HG CYS A 109 -6.991 11.182 9.552 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.605 9.106 5.423 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.722 9.837 4.154 1.00 0.00 C ATOM 1625 C PRO A 110 -7.460 11.344 4.260 1.00 0.00 C ATOM 1626 O PRO A 110 -7.325 11.983 3.241 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.161 9.572 3.713 1.00 0.00 C ATOM 1628 CG PRO A 110 -9.898 9.271 4.966 1.00 0.00 C ATOM 1629 CD PRO A 110 -8.916 8.604 5.888 1.00 0.00 C ATOM 0 HA PRO A 110 -6.965 9.495 3.448 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.584 10.439 3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.212 8.737 3.015 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.292 10.184 5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.749 8.619 4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.100 8.869 6.929 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -8.976 7.518 5.820 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.450 11.870 5.512 1.00 0.00 N ATOM 1638 CA VAL A 111 -7.142 13.297 5.928 1.00 0.00 C ATOM 1639 C VAL A 111 -7.752 14.464 5.089 1.00 0.00 C ATOM 1640 O VAL A 111 -8.404 15.363 5.651 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.632 13.556 6.244 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -5.151 12.617 7.320 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.743 13.450 5.022 1.00 0.00 C ATOM 0 H VAL A 111 -7.668 11.288 6.321 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.709 13.338 6.858 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.561 14.585 6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.099 12.810 7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.735 12.773 8.227 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.271 11.587 6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.708 13.640 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.825 12.449 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.056 14.185 4.280 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.516 14.468 3.796 1.00 0.00 N ATOM 1654 CA ARG A 112 -8.015 15.472 2.909 1.00 0.00 C ATOM 1655 C ARG A 112 -8.080 14.890 1.506 1.00 0.00 C ATOM 1656 O ARG A 112 -7.319 13.966 1.167 1.00 0.00 O ATOM 1657 CB ARG A 112 -7.129 16.742 2.929 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.794 16.646 2.213 1.00 0.00 C ATOM 1659 CD ARG A 112 -4.969 17.916 2.404 1.00 0.00 C ATOM 1660 NE ARG A 112 -5.713 19.144 2.058 1.00 0.00 N ATOM 1661 CZ ARG A 112 -5.212 20.390 2.081 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -3.908 20.592 2.267 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -6.016 21.428 1.874 1.00 0.00 N ATOM 0 H ARG A 112 -6.958 13.753 3.330 1.00 0.00 H new ATOM 0 HA ARG A 112 -9.010 15.772 3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.696 17.561 2.486 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -6.940 17.010 3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.237 15.788 2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.961 16.475 1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -4.641 17.977 3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -4.071 17.856 1.788 1.00 0.00 H new ATOM 0 HE ARG A 112 -6.688 19.037 1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.282 19.797 2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.536 21.542 2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -7.009 21.277 1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -5.640 22.376 1.891 1.00 0.00 H new ATOM 1677 N THR A 113 -9.002 15.371 0.721 1.00 0.00 N ATOM 1678 CA THR A 113 -9.137 14.955 -0.658 1.00 0.00 C ATOM 1679 C THR A 113 -7.877 15.376 -1.453 1.00 0.00 C ATOM 1680 O THR A 113 -7.270 16.403 -1.141 1.00 0.00 O ATOM 1681 CB THR A 113 -10.422 15.585 -1.233 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.522 15.202 -0.381 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.708 15.112 -2.649 1.00 0.00 C ATOM 0 H THR A 113 -9.688 16.067 1.015 1.00 0.00 H new ATOM 0 HA THR A 113 -9.220 13.871 -0.733 1.00 0.00 H new ATOM 0 HB THR A 113 -10.293 16.667 -1.268 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.417 14.265 -0.113 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.622 15.582 -3.012 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.877 15.385 -3.299 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.831 14.029 -2.653 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.455 14.561 -2.416 1.00 0.00 N ATOM 1692 CA CYS A 114 -6.264 14.859 -3.177 1.00 0.00 C ATOM 1693 C CYS A 114 -6.244 14.064 -4.487 1.00 0.00 C ATOM 1694 O CYS A 114 -6.533 12.866 -4.506 1.00 0.00 O ATOM 1695 CB CYS A 114 -5.001 14.543 -2.346 1.00 0.00 C ATOM 1696 SG CYS A 114 -3.455 15.141 -3.066 1.00 0.00 S ATOM 0 H CYS A 114 -7.924 13.695 -2.681 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.271 15.922 -3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -5.117 14.979 -1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -4.931 13.463 -2.213 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.713 16.072 -3.936 1.00 0.00 H new ATOM 1702 N GLN A 115 -5.925 14.735 -5.556 1.00 0.00 N ATOM 1703 CA GLN A 115 -5.794 14.126 -6.866 1.00 0.00 C ATOM 1704 C GLN A 115 -4.415 14.438 -7.370 1.00 0.00 C ATOM 1705 O GLN A 115 -3.772 15.348 -6.854 1.00 0.00 O ATOM 1706 CB GLN A 115 -6.811 14.706 -7.852 1.00 0.00 C ATOM 1707 CG GLN A 115 -8.264 14.381 -7.563 1.00 0.00 C ATOM 1708 CD GLN A 115 -9.193 15.043 -8.560 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -8.903 16.128 -9.078 1.00 0.00 O ATOM 1710 NE2 GLN A 115 -10.290 14.413 -8.853 1.00 0.00 N ATOM 0 H GLN A 115 -5.744 15.739 -5.551 1.00 0.00 H new ATOM 0 HA GLN A 115 -5.969 13.053 -6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -6.696 15.790 -7.869 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -6.568 14.344 -8.851 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.408 13.301 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.517 14.710 -6.555 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -10.499 13.520 -8.408 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -10.942 14.812 -9.528 1.00 0.00 H new ATOM 1719 N GLY A 116 -3.939 13.708 -8.321 1.00 0.00 N ATOM 1720 CA GLY A 116 -2.680 14.049 -8.890 1.00 0.00 C ATOM 1721 C GLY A 116 -1.794 12.877 -9.111 1.00 0.00 C ATOM 1722 O GLY A 116 -2.144 11.744 -8.779 1.00 0.00 O ATOM 0 H GLY A 116 -4.393 12.885 -8.716 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -2.845 14.555 -9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.174 14.759 -8.235 1.00 0.00 H new ATOM 1726 N VAL A 117 -0.652 13.153 -9.667 1.00 0.00 N ATOM 1727 CA VAL A 117 0.348 12.168 -9.941 1.00 0.00 C ATOM 1728 C VAL A 117 1.660 12.651 -9.359 1.00 0.00 C ATOM 1729 O VAL A 117 2.039 13.809 -9.567 1.00 0.00 O ATOM 1730 CB VAL A 117 0.503 11.849 -11.475 1.00 0.00 C ATOM 1731 CG1 VAL A 117 -0.721 11.113 -12.006 1.00 0.00 C ATOM 1732 CG2 VAL A 117 0.734 13.121 -12.292 1.00 0.00 C ATOM 0 H VAL A 117 -0.384 14.096 -9.950 1.00 0.00 H new ATOM 0 HA VAL A 117 0.039 11.231 -9.477 1.00 0.00 H new ATOM 0 HB VAL A 117 1.377 11.207 -11.582 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.588 10.905 -13.068 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.845 10.175 -11.465 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.607 11.732 -11.866 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.837 12.863 -13.346 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.113 13.794 -12.164 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.644 13.614 -11.949 1.00 0.00 H new ATOM 1742 N PRO A 118 2.324 11.812 -8.557 1.00 0.00 N ATOM 1743 CA PRO A 118 3.594 12.148 -7.913 1.00 0.00 C ATOM 1744 C PRO A 118 4.627 12.748 -8.864 1.00 0.00 C ATOM 1745 O PRO A 118 4.790 12.281 -9.998 1.00 0.00 O ATOM 1746 CB PRO A 118 4.073 10.808 -7.396 1.00 0.00 C ATOM 1747 CG PRO A 118 2.822 10.110 -7.069 1.00 0.00 C ATOM 1748 CD PRO A 118 1.875 10.460 -8.171 1.00 0.00 C ATOM 0 HA PRO A 118 3.462 12.913 -7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 118 4.651 10.269 -8.147 1.00 0.00 H new ATOM 0 HB3 PRO A 118 4.713 10.919 -6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 118 2.977 9.033 -7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 118 2.435 10.429 -6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.941 9.757 -9.002 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.839 10.457 -7.833 1.00 0.00 H new ATOM 1756 N PRO A 119 5.365 13.768 -8.399 1.00 0.00 N ATOM 1757 CA PRO A 119 5.239 14.309 -7.036 1.00 0.00 C ATOM 1758 C PRO A 119 4.067 15.295 -6.858 1.00 0.00 C ATOM 1759 O PRO A 119 3.592 15.504 -5.725 1.00 0.00 O ATOM 1760 CB PRO A 119 6.582 15.045 -6.824 1.00 0.00 C ATOM 1761 CG PRO A 119 7.398 14.762 -8.052 1.00 0.00 C ATOM 1762 CD PRO A 119 6.416 14.451 -9.140 1.00 0.00 C ATOM 0 HA PRO A 119 5.033 13.514 -6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 119 6.426 16.116 -6.696 1.00 0.00 H new ATOM 0 HB3 PRO A 119 7.087 14.687 -5.927 1.00 0.00 H new ATOM 0 HG2 PRO A 119 8.014 15.621 -8.317 1.00 0.00 H new ATOM 0 HG3 PRO A 119 8.074 13.924 -7.886 1.00 0.00 H new ATOM 0 HD2 PRO A 119 6.051 15.352 -9.632 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.849 13.818 -9.914 1.00 0.00 H new ATOM 1770 N ASN A 120 3.566 15.835 -7.966 1.00 0.00 N ATOM 1771 CA ASN A 120 2.560 16.904 -7.930 1.00 0.00 C ATOM 1772 C ASN A 120 1.199 16.413 -7.457 1.00 0.00 C ATOM 1773 O ASN A 120 0.432 15.785 -8.200 1.00 0.00 O ATOM 1774 CB ASN A 120 2.429 17.602 -9.293 1.00 0.00 C ATOM 1775 CG ASN A 120 1.431 18.759 -9.268 1.00 0.00 C ATOM 1776 OD1 ASN A 120 1.232 19.410 -8.241 1.00 0.00 O ATOM 1777 ND2 ASN A 120 0.799 19.021 -10.386 1.00 0.00 N ATOM 0 H ASN A 120 3.839 15.551 -8.907 1.00 0.00 H new ATOM 0 HA ASN A 120 2.918 17.629 -7.199 1.00 0.00 H new ATOM 0 HB2 ASN A 120 3.405 17.976 -9.601 1.00 0.00 H new ATOM 0 HB3 ASN A 120 2.116 16.874 -10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 120 0.121 19.782 -10.422 1.00 0.00 H new ATOM 0 HD22 ASN A 120 0.985 18.464 -11.220 1.00 0.00 H new ATOM 1784 N HIS A 121 0.917 16.704 -6.223 1.00 0.00 N ATOM 1785 CA HIS A 121 -0.334 16.348 -5.602 1.00 0.00 C ATOM 1786 C HIS A 121 -1.225 17.574 -5.476 1.00 0.00 C ATOM 1787 O HIS A 121 -0.778 18.615 -5.012 1.00 0.00 O ATOM 1788 CB HIS A 121 -0.104 15.643 -4.243 1.00 0.00 C ATOM 1789 CG HIS A 121 0.664 16.430 -3.208 1.00 0.00 C ATOM 1790 ND1 HIS A 121 2.044 16.476 -3.158 1.00 0.00 N ATOM 1791 CD2 HIS A 121 0.232 17.174 -2.162 1.00 0.00 C ATOM 1792 CE1 HIS A 121 2.415 17.208 -2.124 1.00 0.00 C ATOM 1793 NE2 HIS A 121 1.336 17.642 -1.510 1.00 0.00 N ATOM 0 H HIS A 121 1.556 17.203 -5.605 1.00 0.00 H new ATOM 0 HA HIS A 121 -0.851 15.630 -6.238 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.075 15.381 -3.824 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.426 14.709 -4.427 1.00 0.00 H new ATOM 0 HD1 HIS A 121 2.675 16.018 -3.815 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -0.797 17.362 -1.893 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.434 17.416 -1.831 1.00 0.00 H new ATOM 1802 N ILE A 122 -2.449 17.457 -5.901 1.00 0.00 N ATOM 1803 CA ILE A 122 -3.409 18.545 -5.840 1.00 0.00 C ATOM 1804 C ILE A 122 -4.243 18.361 -4.581 1.00 0.00 C ATOM 1805 O ILE A 122 -4.938 17.351 -4.459 1.00 0.00 O ATOM 1806 CB ILE A 122 -4.357 18.518 -7.075 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -3.539 18.533 -8.377 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -5.329 19.704 -7.034 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -4.371 18.406 -9.640 1.00 0.00 C ATOM 0 H ILE A 122 -2.823 16.599 -6.306 1.00 0.00 H new ATOM 0 HA ILE A 122 -2.877 19.496 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.940 17.598 -7.044 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.969 19.461 -8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -2.817 17.717 -8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.983 19.668 -7.905 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.930 19.651 -6.126 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.765 20.637 -7.042 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -3.716 18.425 -10.511 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -4.921 17.465 -9.620 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.075 19.236 -9.697 1.00 0.00 H new ATOM 1821 N PRO A 123 -4.143 19.272 -3.605 1.00 0.00 N ATOM 1822 CA PRO A 123 -4.890 19.169 -2.353 1.00 0.00 C ATOM 1823 C PRO A 123 -6.372 19.542 -2.501 1.00 0.00 C ATOM 1824 O PRO A 123 -6.786 20.180 -3.487 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.190 20.171 -1.415 1.00 0.00 C ATOM 1826 CG PRO A 123 -2.997 20.676 -2.165 1.00 0.00 C ATOM 1827 CD PRO A 123 -3.292 20.469 -3.619 1.00 0.00 C ATOM 0 HA PRO A 123 -4.890 18.143 -1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -4.859 20.990 -1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.890 19.690 -0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -2.821 21.730 -1.951 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.097 20.137 -1.871 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -3.805 21.326 -4.055 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.382 20.313 -4.199 1.00 0.00 H new ATOM 1835 N GLY A 124 -7.148 19.127 -1.528 1.00 0.00 N ATOM 1836 CA GLY A 124 -8.550 19.417 -1.467 1.00 0.00 C ATOM 1837 C GLY A 124 -8.986 19.565 -0.031 1.00 0.00 C ATOM 1838 O GLY A 124 -8.128 19.681 0.849 1.00 0.00 O ATOM 0 H GLY A 124 -6.810 18.568 -0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.764 20.334 -2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.116 18.618 -1.947 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.289 19.515 0.205 1.00 0.00 N ATOM 1843 CA VAL A 125 -10.892 19.726 1.537 1.00 0.00 C ATOM 1844 C VAL A 125 -10.272 18.824 2.614 1.00 0.00 C ATOM 1845 O VAL A 125 -10.325 17.587 2.521 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.434 19.517 1.499 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -13.067 19.755 2.870 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -13.064 20.433 0.463 1.00 0.00 C ATOM 0 H VAL A 125 -10.976 19.325 -0.525 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.678 20.760 1.806 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.622 18.480 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.144 19.600 2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.643 19.058 3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -12.866 20.777 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.143 20.277 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -12.852 21.471 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -12.650 20.209 -0.520 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.632 19.465 3.577 1.00 0.00 N ATOM 1859 CA ALA A 126 -9.025 18.806 4.712 1.00 0.00 C ATOM 1860 C ALA A 126 -9.986 18.778 5.875 1.00 0.00 C ATOM 1861 O ALA A 126 -10.812 19.689 6.029 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.739 19.517 5.114 1.00 0.00 C ATOM 0 H ALA A 126 -9.520 20.479 3.588 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.784 17.781 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.294 19.009 5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.039 19.502 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.963 20.550 5.381 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.895 17.755 6.691 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.751 17.654 7.854 1.00 0.00 C ATOM 1870 C TRP A 127 -9.952 17.825 9.147 1.00 0.00 C ATOM 1871 O TRP A 127 -10.476 17.628 10.256 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.510 16.329 7.852 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.327 16.118 6.612 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -13.378 16.873 6.181 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -12.171 15.071 5.651 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.869 16.373 5.009 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -13.151 15.266 4.662 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -11.297 13.993 5.528 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.279 14.426 3.569 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.426 13.158 4.443 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.410 13.381 3.477 1.00 0.00 C ATOM 0 H TRP A 127 -9.240 16.982 6.574 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.479 18.464 7.806 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.798 15.510 7.954 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -12.166 16.292 8.722 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.766 17.741 6.693 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.647 16.764 4.478 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.533 13.817 6.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -14.038 14.593 2.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.757 12.317 4.336 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.484 12.708 2.636 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.718 18.246 9.012 1.00 0.00 N ATOM 1893 CA GLY A 128 -7.875 18.418 10.157 1.00 0.00 C ATOM 1894 C GLY A 128 -6.701 19.303 9.853 1.00 0.00 C ATOM 1895 O GLY A 128 -6.568 19.801 8.733 1.00 0.00 O ATOM 0 H GLY A 128 -8.281 18.474 8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.454 18.849 10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.519 17.445 10.497 1.00 0.00 H new ATOM 1899 N VAL A 129 -5.833 19.448 10.818 1.00 0.00 N ATOM 1900 CA VAL A 129 -4.687 20.323 10.731 1.00 0.00 C ATOM 1901 C VAL A 129 -3.417 19.477 10.680 1.00 0.00 C ATOM 1902 O VAL A 129 -3.302 18.479 11.390 1.00 0.00 O ATOM 1903 CB VAL A 129 -4.634 21.264 11.974 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -3.471 22.234 11.895 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -5.941 22.022 12.134 1.00 0.00 C ATOM 0 H VAL A 129 -5.901 18.952 11.707 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.766 20.932 9.830 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.484 20.633 12.850 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -3.469 22.872 12.779 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.535 21.677 11.847 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.572 22.851 11.002 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -5.880 22.672 13.007 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.123 22.625 11.245 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.759 21.313 12.265 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.486 19.864 9.851 1.00 0.00 N ATOM 1916 CA PHE A 130 -1.248 19.132 9.689 1.00 0.00 C ATOM 1917 C PHE A 130 -0.128 19.812 10.453 1.00 0.00 C ATOM 1918 O PHE A 130 -0.136 21.042 10.625 1.00 0.00 O ATOM 1919 CB PHE A 130 -0.862 19.031 8.203 1.00 0.00 C ATOM 1920 CG PHE A 130 -1.844 18.274 7.352 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -2.952 18.908 6.808 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -1.654 16.927 7.092 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -3.848 18.215 6.023 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -2.547 16.228 6.308 1.00 0.00 C ATOM 1925 CZ PHE A 130 -3.648 16.873 5.773 1.00 0.00 C ATOM 0 H PHE A 130 -2.559 20.696 9.266 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.399 18.128 10.085 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -0.753 20.038 7.800 1.00 0.00 H new ATOM 0 HB3 PHE A 130 0.113 18.549 8.126 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.114 19.958 7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -0.797 16.419 7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -4.705 18.721 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -2.387 15.178 6.112 1.00 0.00 H new ATOM 0 HZ PHE A 130 -4.350 16.327 5.160 1.00 0.00 H new ATOM 1935 N LYS A 131 0.791 19.017 10.948 1.00 0.00 N ATOM 1936 CA LYS A 131 1.976 19.495 11.611 1.00 0.00 C ATOM 1937 C LYS A 131 3.156 18.621 11.190 1.00 0.00 C ATOM 1938 O LYS A 131 3.533 17.684 11.943 1.00 0.00 O ATOM 1939 CB LYS A 131 1.835 19.469 13.145 1.00 0.00 C ATOM 1940 CG LYS A 131 0.773 20.393 13.741 1.00 0.00 C ATOM 1941 CD LYS A 131 0.841 20.394 15.266 1.00 0.00 C ATOM 1942 CE LYS A 131 2.137 21.037 15.764 1.00 0.00 C ATOM 1943 NZ LYS A 131 2.316 20.888 17.218 1.00 0.00 N ATOM 1944 OXT LYS A 131 3.694 18.831 10.084 1.00 0.00 O ATOM 0 H LYS A 131 0.732 18.000 10.899 1.00 0.00 H new ATOM 0 HA LYS A 131 2.136 20.533 11.319 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.611 18.447 13.451 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.799 19.728 13.582 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.916 21.407 13.367 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -0.217 20.071 13.418 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -0.015 20.935 15.670 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.775 19.371 15.636 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.985 20.586 15.248 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.135 22.096 15.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.207 21.340 17.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.522 21.341 17.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.345 19.878 17.462 1.00 0.00 H new TER 1958 LYS A 131