USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 651 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 87 ASN : amide:sc= -0.657 K(o=-1.1,f=-8.2!) USER MOD Set 1.2: A 89 ASN : amide:sc= -0.446 K(o=-1.1,f=-0.45) USER MOD Set 2.1: A 83 SER OG : rot 180:sc= 0.78 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 86 THR OG1 : rot 91:sc= 0.893 USER MOD Set 3.1: A 63 ASN : amide:sc= -0.613 K(o=-0.61,f=-4!) USER MOD Set 3.2: A 65 ASN : amide:sc= 0 X(o=-0.61,f=-0.61) USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.0365 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00825 USER MOD Single : A 9 SER OG : rot -85:sc= 0.021 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0335 USER MOD Single : A 19 THR OG1 : rot -86:sc= 1.01 USER MOD Single : A 25 SER OG : rot 170:sc= 0.0719 USER MOD Single : A 27 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.596 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 50 ASN : amide:sc= -0.738 X(o=-0.74,f=-0.93) USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= 0.0172 (180deg=0.000999) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.446 K(o=-0.45,f=-3.6!) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= -0.0139 (180deg=-0.127) USER MOD Single : A 77 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.38) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.614 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -11:sc= 0.825 USER MOD Single : A 90 THR OG1 : rot -171:sc= -0.624 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.632 0.669 -0.048 1.00 0.00 N ATOM 2 CA ALA A 1 1.842 0.392 -0.813 1.00 0.00 C ATOM 3 C ALA A 1 2.646 1.666 -1.051 1.00 0.00 C ATOM 4 O ALA A 1 2.082 2.757 -1.147 1.00 0.00 O ATOM 5 CB ALA A 1 1.489 -0.267 -2.138 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.139 0.057 -0.384 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.808 0.482 0.960 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.363 1.666 -0.173 1.00 0.00 H new ATOM 0 HA ALA A 1 2.460 -0.293 -0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.402 -0.468 -2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.965 -1.204 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.847 0.398 -2.716 1.00 0.00 H new ATOM 11 N ILE A 2 3.963 1.520 -1.144 1.00 0.00 N ATOM 12 CA ILE A 2 4.843 2.660 -1.371 1.00 0.00 C ATOM 13 C ILE A 2 4.779 3.124 -2.822 1.00 0.00 C ATOM 14 O ILE A 2 5.159 2.392 -3.735 1.00 0.00 O ATOM 15 CB ILE A 2 6.303 2.324 -1.015 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.418 1.952 0.465 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.212 3.498 -1.344 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.142 0.492 0.745 1.00 0.00 C ATOM 0 H ILE A 2 4.444 0.624 -1.066 1.00 0.00 H new ATOM 0 HA ILE A 2 4.494 3.462 -0.720 1.00 0.00 H new ATOM 0 HB ILE A 2 6.619 1.467 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.420 2.198 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.721 2.562 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.241 3.245 -1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.149 3.720 -2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.899 4.372 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.242 0.301 1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.130 0.245 0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.855 -0.125 0.198 1.00 0.00 H new ATOM 30 N SER A 3 4.296 4.345 -3.026 1.00 0.00 N ATOM 31 CA SER A 3 4.180 4.907 -4.367 1.00 0.00 C ATOM 32 C SER A 3 5.399 5.759 -4.706 1.00 0.00 C ATOM 33 O SER A 3 6.270 5.342 -5.470 1.00 0.00 O ATOM 34 CB SER A 3 2.907 5.748 -4.482 1.00 0.00 C ATOM 35 OG SER A 3 2.983 6.640 -5.581 1.00 0.00 O ATOM 0 H SER A 3 3.979 4.964 -2.280 1.00 0.00 H new ATOM 0 HA SER A 3 4.127 4.082 -5.077 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.044 5.093 -4.600 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.755 6.312 -3.562 1.00 0.00 H new ATOM 0 HG SER A 3 2.157 7.165 -5.634 1.00 0.00 H new ATOM 41 N CYS A 4 5.453 6.957 -4.133 1.00 0.00 N ATOM 42 CA CYS A 4 6.563 7.871 -4.374 1.00 0.00 C ATOM 43 C CYS A 4 6.425 9.130 -3.523 1.00 0.00 C ATOM 44 O CYS A 4 7.401 9.616 -2.952 1.00 0.00 O ATOM 45 CB CYS A 4 6.630 8.247 -5.855 1.00 0.00 C ATOM 46 SG CYS A 4 8.306 8.182 -6.564 1.00 0.00 S ATOM 0 H CYS A 4 4.741 7.317 -3.498 1.00 0.00 H new ATOM 0 HA CYS A 4 7.486 7.364 -4.094 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.982 7.576 -6.419 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.233 9.254 -5.981 1.00 0.00 H new ATOM 51 N GLY A 5 5.206 9.653 -3.443 1.00 0.00 N ATOM 52 CA GLY A 5 4.962 10.851 -2.661 1.00 0.00 C ATOM 53 C GLY A 5 5.426 10.710 -1.225 1.00 0.00 C ATOM 54 O GLY A 5 5.963 11.653 -0.644 1.00 0.00 O ATOM 0 H GLY A 5 4.382 9.269 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.475 11.694 -3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.896 11.079 -2.675 1.00 0.00 H new ATOM 58 N ALA A 6 5.219 9.529 -0.651 1.00 0.00 N ATOM 59 CA ALA A 6 5.621 9.268 0.726 1.00 0.00 C ATOM 60 C ALA A 6 7.137 9.163 0.845 1.00 0.00 C ATOM 61 O ALA A 6 7.705 9.409 1.909 1.00 0.00 O ATOM 62 CB ALA A 6 4.960 7.997 1.236 1.00 0.00 C ATOM 0 H ALA A 6 4.775 8.738 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 6 5.293 10.107 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.269 7.814 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.877 8.109 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.260 7.155 0.612 1.00 0.00 H new ATOM 68 N VAL A 7 7.788 8.795 -0.255 1.00 0.00 N ATOM 69 CA VAL A 7 9.240 8.658 -0.274 1.00 0.00 C ATOM 70 C VAL A 7 9.919 10.019 -0.369 1.00 0.00 C ATOM 71 O VAL A 7 10.865 10.307 0.366 1.00 0.00 O ATOM 72 CB VAL A 7 9.705 7.780 -1.451 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.204 7.538 -1.377 1.00 0.00 C ATOM 74 CG2 VAL A 7 8.944 6.463 -1.467 1.00 0.00 C ATOM 0 H VAL A 7 7.333 8.587 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 7 9.525 8.178 0.662 1.00 0.00 H new ATOM 0 HB VAL A 7 9.492 8.307 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.514 6.916 -2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.729 8.492 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.445 7.032 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.286 5.856 -2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.123 5.928 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.877 6.660 -1.573 1.00 0.00 H new ATOM 84 N THR A 8 9.431 10.856 -1.280 1.00 0.00 N ATOM 85 CA THR A 8 9.991 12.187 -1.472 1.00 0.00 C ATOM 86 C THR A 8 9.782 13.056 -0.237 1.00 0.00 C ATOM 87 O THR A 8 10.511 14.023 -0.016 1.00 0.00 O ATOM 88 CB THR A 8 9.365 12.889 -2.692 1.00 0.00 C ATOM 89 OG1 THR A 8 9.152 11.943 -3.746 1.00 0.00 O ATOM 90 CG2 THR A 8 10.261 14.014 -3.188 1.00 0.00 C ATOM 0 H THR A 8 8.649 10.635 -1.896 1.00 0.00 H new ATOM 0 HA THR A 8 11.059 12.058 -1.645 1.00 0.00 H new ATOM 0 HB THR A 8 8.409 13.314 -2.387 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.752 12.397 -4.517 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.798 14.495 -4.050 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.398 14.747 -2.393 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.230 13.607 -3.477 1.00 0.00 H new ATOM 98 N SER A 9 8.782 12.705 0.565 1.00 0.00 N ATOM 99 CA SER A 9 8.474 13.455 1.777 1.00 0.00 C ATOM 100 C SER A 9 9.642 13.406 2.757 1.00 0.00 C ATOM 101 O SER A 9 10.101 14.438 3.245 1.00 0.00 O ATOM 102 CB SER A 9 7.213 12.899 2.440 1.00 0.00 C ATOM 103 OG SER A 9 7.255 13.075 3.845 1.00 0.00 O ATOM 0 H SER A 9 8.171 11.906 0.397 1.00 0.00 H new ATOM 0 HA SER A 9 8.300 14.494 1.497 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.334 13.400 2.034 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.113 11.839 2.206 1.00 0.00 H new ATOM 0 HG SER A 9 7.738 12.327 4.254 1.00 0.00 H new ATOM 109 N ASP A 10 10.117 12.198 3.041 1.00 0.00 N ATOM 110 CA ASP A 10 11.232 12.012 3.962 1.00 0.00 C ATOM 111 C ASP A 10 12.552 12.400 3.303 1.00 0.00 C ATOM 112 O ASP A 10 13.540 12.677 3.984 1.00 0.00 O ATOM 113 CB ASP A 10 11.293 10.559 4.436 1.00 0.00 C ATOM 114 CG ASP A 10 9.916 9.948 4.607 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.031 10.627 5.167 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.723 8.789 4.180 1.00 0.00 O ATOM 0 H ASP A 10 9.747 11.333 2.647 1.00 0.00 H new ATOM 0 HA ASP A 10 11.072 12.661 4.823 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.862 9.969 3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.829 10.511 5.384 1.00 0.00 H new ATOM 121 N LEU A 11 12.561 12.419 1.975 1.00 0.00 N ATOM 122 CA LEU A 11 13.760 12.773 1.223 1.00 0.00 C ATOM 123 C LEU A 11 14.077 14.258 1.370 1.00 0.00 C ATOM 124 O LEU A 11 15.242 14.654 1.407 1.00 0.00 O ATOM 125 CB LEU A 11 13.582 12.421 -0.255 1.00 0.00 C ATOM 126 CG LEU A 11 13.747 10.945 -0.619 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.215 10.678 -2.018 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.207 10.530 -0.512 1.00 0.00 C ATOM 0 H LEU A 11 11.752 12.193 1.397 1.00 0.00 H new ATOM 0 HA LEU A 11 14.595 12.201 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.588 12.742 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.301 13.000 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 11 13.168 10.349 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.341 9.623 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.157 10.936 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.765 11.283 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.306 9.477 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.807 11.132 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.555 10.684 0.509 1.00 0.00 H new ATOM 140 N SER A 12 13.032 15.074 1.456 1.00 0.00 N ATOM 141 CA SER A 12 13.198 16.516 1.597 1.00 0.00 C ATOM 142 C SER A 12 14.090 16.846 2.790 1.00 0.00 C ATOM 143 O SER A 12 15.125 17.499 2.662 1.00 0.00 O ATOM 144 CB SER A 12 11.836 17.194 1.761 1.00 0.00 C ATOM 145 OG SER A 12 11.942 18.366 2.550 1.00 0.00 O ATOM 0 H SER A 12 12.061 14.762 1.431 1.00 0.00 H new ATOM 0 HA SER A 12 13.676 16.892 0.693 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.432 17.447 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.135 16.501 2.226 1.00 0.00 H new ATOM 0 HG SER A 12 11.059 18.782 2.639 1.00 0.00 H new ATOM 151 N PRO A 13 13.679 16.383 3.980 1.00 0.00 N ATOM 152 CA PRO A 13 14.426 16.615 5.220 1.00 0.00 C ATOM 153 C PRO A 13 15.738 15.839 5.261 1.00 0.00 C ATOM 154 O PRO A 13 16.672 16.217 5.968 1.00 0.00 O ATOM 155 CB PRO A 13 13.473 16.112 6.308 1.00 0.00 C ATOM 156 CG PRO A 13 12.610 15.110 5.621 1.00 0.00 C ATOM 157 CD PRO A 13 12.455 15.597 4.207 1.00 0.00 C ATOM 0 HA PRO A 13 14.711 17.661 5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.020 15.662 7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.880 16.927 6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.066 14.120 5.645 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.641 15.026 6.113 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.373 14.768 3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.559 16.206 4.088 1.00 0.00 H new ATOM 165 N CYS A 14 15.801 14.753 4.499 1.00 0.00 N ATOM 166 CA CYS A 14 16.998 13.923 4.447 1.00 0.00 C ATOM 167 C CYS A 14 18.014 14.494 3.461 1.00 0.00 C ATOM 168 O CYS A 14 19.190 14.128 3.483 1.00 0.00 O ATOM 169 CB CYS A 14 16.635 12.491 4.050 1.00 0.00 C ATOM 170 SG CYS A 14 15.934 11.498 5.407 1.00 0.00 S ATOM 0 H CYS A 14 15.036 14.427 3.908 1.00 0.00 H new ATOM 0 HA CYS A 14 17.447 13.915 5.440 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.918 12.523 3.230 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.528 11.992 3.673 1.00 0.00 H new ATOM 175 N LEU A 15 17.552 15.392 2.598 1.00 0.00 N ATOM 176 CA LEU A 15 18.419 16.014 1.604 1.00 0.00 C ATOM 177 C LEU A 15 19.495 16.863 2.275 1.00 0.00 C ATOM 178 O LEU A 15 20.677 16.763 1.944 1.00 0.00 O ATOM 179 CB LEU A 15 17.594 16.878 0.648 1.00 0.00 C ATOM 180 CG LEU A 15 17.086 16.182 -0.615 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.303 17.156 -1.482 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.246 15.583 -1.397 1.00 0.00 C ATOM 0 H LEU A 15 16.582 15.706 2.567 1.00 0.00 H new ATOM 0 HA LEU A 15 18.908 15.222 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.735 17.270 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.199 17.734 0.349 1.00 0.00 H new ATOM 0 HG LEU A 15 16.418 15.373 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.949 16.643 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.450 17.538 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.948 17.986 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.866 15.092 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.939 16.374 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.765 14.853 -0.776 1.00 0.00 H new ATOM 194 N THR A 16 19.077 17.698 3.222 1.00 0.00 N ATOM 195 CA THR A 16 20.004 18.563 3.940 1.00 0.00 C ATOM 196 C THR A 16 21.189 17.772 4.481 1.00 0.00 C ATOM 197 O THR A 16 22.324 18.250 4.473 1.00 0.00 O ATOM 198 CB THR A 16 19.307 19.285 5.109 1.00 0.00 C ATOM 199 OG1 THR A 16 18.149 19.981 4.635 1.00 0.00 O ATOM 200 CG2 THR A 16 20.255 20.267 5.781 1.00 0.00 C ATOM 0 H THR A 16 18.103 17.793 3.509 1.00 0.00 H new ATOM 0 HA THR A 16 20.362 19.304 3.225 1.00 0.00 H new ATOM 0 HB THR A 16 19.006 18.536 5.841 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.711 20.436 5.385 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.741 20.765 6.603 1.00 0.00 H new ATOM 0 HG22 THR A 16 21.121 19.730 6.167 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.583 21.011 5.055 1.00 0.00 H new ATOM 208 N TYR A 17 20.919 16.558 4.949 1.00 0.00 N ATOM 209 CA TYR A 17 21.964 15.700 5.496 1.00 0.00 C ATOM 210 C TYR A 17 22.661 14.917 4.387 1.00 0.00 C ATOM 211 O TYR A 17 23.862 14.653 4.458 1.00 0.00 O ATOM 212 CB TYR A 17 21.374 14.735 6.525 1.00 0.00 C ATOM 213 CG TYR A 17 22.417 14.030 7.362 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.510 14.721 7.871 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.309 12.675 7.646 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.466 14.081 8.636 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.259 12.027 8.412 1.00 0.00 C ATOM 218 CZ TYR A 17 24.336 12.735 8.904 1.00 0.00 C ATOM 219 OH TYR A 17 25.285 12.094 9.667 1.00 0.00 O ATOM 0 H TYR A 17 19.986 16.146 4.961 1.00 0.00 H new ATOM 0 HA TYR A 17 22.702 16.335 5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.703 15.286 7.184 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.771 13.989 6.007 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.614 15.776 7.665 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.468 12.118 7.261 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.311 14.632 9.022 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.159 10.973 8.624 1.00 0.00 H new ATOM 0 HH TYR A 17 25.044 11.149 9.763 1.00 0.00 H new ATOM 229 N LEU A 18 21.899 14.549 3.364 1.00 0.00 N ATOM 230 CA LEU A 18 22.441 13.796 2.238 1.00 0.00 C ATOM 231 C LEU A 18 23.336 14.678 1.373 1.00 0.00 C ATOM 232 O LEU A 18 24.026 14.193 0.477 1.00 0.00 O ATOM 233 CB LEU A 18 21.306 13.216 1.392 1.00 0.00 C ATOM 234 CG LEU A 18 20.787 11.842 1.817 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.626 11.414 0.934 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.905 10.811 1.768 1.00 0.00 C ATOM 0 H LEU A 18 20.904 14.760 3.290 1.00 0.00 H new ATOM 0 HA LEU A 18 23.043 12.979 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.472 13.918 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.647 13.150 0.359 1.00 0.00 H new ATOM 0 HG LEU A 18 20.429 11.912 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.270 10.434 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.817 12.139 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.958 11.361 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.517 9.839 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.293 10.743 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.706 11.111 2.443 1.00 0.00 H new ATOM 248 N THR A 19 23.320 15.979 1.649 1.00 0.00 N ATOM 249 CA THR A 19 24.129 16.929 0.897 1.00 0.00 C ATOM 250 C THR A 19 25.457 17.196 1.598 1.00 0.00 C ATOM 251 O THR A 19 26.377 17.762 1.010 1.00 0.00 O ATOM 252 CB THR A 19 23.389 18.265 0.700 1.00 0.00 C ATOM 253 OG1 THR A 19 22.625 18.580 1.870 1.00 0.00 O ATOM 254 CG2 THR A 19 22.468 18.200 -0.510 1.00 0.00 C ATOM 0 H THR A 19 22.755 16.398 2.388 1.00 0.00 H new ATOM 0 HA THR A 19 24.319 16.480 -0.078 1.00 0.00 H new ATOM 0 HB THR A 19 24.132 19.045 0.531 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.746 18.152 1.812 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.956 19.155 -0.629 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.056 17.989 -1.404 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.732 17.409 -0.365 1.00 0.00 H new ATOM 262 N GLY A 20 25.548 16.783 2.859 1.00 0.00 N ATOM 263 CA GLY A 20 26.768 16.986 3.619 1.00 0.00 C ATOM 264 C GLY A 20 26.589 17.983 4.747 1.00 0.00 C ATOM 265 O GLY A 20 27.564 18.443 5.338 1.00 0.00 O ATOM 0 H GLY A 20 24.799 16.312 3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 20 27.099 16.032 4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.555 17.336 2.951 1.00 0.00 H new ATOM 269 N GLY A 21 25.337 18.319 5.045 1.00 0.00 N ATOM 270 CA GLY A 21 25.057 19.266 6.108 1.00 0.00 C ATOM 271 C GLY A 21 24.866 18.591 7.451 1.00 0.00 C ATOM 272 O GLY A 21 25.223 17.429 7.643 1.00 0.00 O ATOM 0 H GLY A 21 24.513 17.952 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.876 19.982 6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 21 24.160 19.832 5.859 1.00 0.00 H new ATOM 276 N PRO A 22 24.290 19.329 8.412 1.00 0.00 N ATOM 277 CA PRO A 22 24.040 18.815 9.762 1.00 0.00 C ATOM 278 C PRO A 22 22.945 17.754 9.785 1.00 0.00 C ATOM 279 O PRO A 22 21.931 17.880 9.101 1.00 0.00 O ATOM 280 CB PRO A 22 23.597 20.058 10.538 1.00 0.00 C ATOM 281 CG PRO A 22 23.038 20.972 9.503 1.00 0.00 C ATOM 282 CD PRO A 22 23.838 20.722 8.254 1.00 0.00 C ATOM 0 HA PRO A 22 24.919 18.325 10.181 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.850 19.809 11.291 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.436 20.518 11.061 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.980 20.771 9.335 1.00 0.00 H new ATOM 0 HG3 PRO A 22 23.119 22.013 9.817 1.00 0.00 H new ATOM 0 HD2 PRO A 22 23.232 20.849 7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.679 21.410 8.171 1.00 0.00 H new ATOM 290 N GLY A 23 23.158 16.708 10.578 1.00 0.00 N ATOM 291 CA GLY A 23 22.180 15.640 10.675 1.00 0.00 C ATOM 292 C GLY A 23 22.776 14.356 11.217 1.00 0.00 C ATOM 293 O GLY A 23 23.882 14.339 11.758 1.00 0.00 O ATOM 0 H GLY A 23 23.990 16.581 11.155 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.362 15.958 11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.753 15.451 9.690 1.00 0.00 H new ATOM 297 N PRO A 24 22.033 13.248 11.075 1.00 0.00 N ATOM 298 CA PRO A 24 20.715 13.256 10.433 1.00 0.00 C ATOM 299 C PRO A 24 19.664 13.971 11.276 1.00 0.00 C ATOM 300 O PRO A 24 19.608 13.798 12.493 1.00 0.00 O ATOM 301 CB PRO A 24 20.376 11.769 10.303 1.00 0.00 C ATOM 302 CG PRO A 24 21.156 11.106 11.386 1.00 0.00 C ATOM 303 CD PRO A 24 22.423 11.903 11.531 1.00 0.00 C ATOM 0 HA PRO A 24 20.727 13.789 9.482 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.307 11.595 10.422 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.654 11.384 9.322 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.594 11.093 12.320 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.374 10.069 11.131 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.775 11.915 12.563 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.229 11.491 10.924 1.00 0.00 H new ATOM 311 N SER A 25 18.833 14.774 10.620 1.00 0.00 N ATOM 312 CA SER A 25 17.785 15.518 11.309 1.00 0.00 C ATOM 313 C SER A 25 16.770 14.569 11.939 1.00 0.00 C ATOM 314 O SER A 25 16.707 13.382 11.616 1.00 0.00 O ATOM 315 CB SER A 25 17.080 16.466 10.338 1.00 0.00 C ATOM 316 OG SER A 25 17.117 15.960 9.014 1.00 0.00 O ATOM 0 H SER A 25 18.865 14.926 9.612 1.00 0.00 H new ATOM 0 HA SER A 25 18.251 16.103 12.102 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.045 16.606 10.649 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.557 17.445 10.370 1.00 0.00 H new ATOM 0 HG SER A 25 16.527 16.495 8.443 1.00 0.00 H new ATOM 322 N PRO A 26 15.955 15.103 12.861 1.00 0.00 N ATOM 323 CA PRO A 26 14.927 14.323 13.556 1.00 0.00 C ATOM 324 C PRO A 26 13.781 13.921 12.634 1.00 0.00 C ATOM 325 O PRO A 26 13.327 12.778 12.656 1.00 0.00 O ATOM 326 CB PRO A 26 14.430 15.280 14.642 1.00 0.00 C ATOM 327 CG PRO A 26 14.716 16.641 14.108 1.00 0.00 C ATOM 328 CD PRO A 26 15.974 16.510 13.295 1.00 0.00 C ATOM 0 HA PRO A 26 15.321 13.384 13.944 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.365 15.145 14.831 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.946 15.109 15.587 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.890 17.001 13.494 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.848 17.358 14.918 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.976 17.193 12.445 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.861 16.736 13.887 1.00 0.00 H new ATOM 336 N GLN A 27 13.320 14.869 11.825 1.00 0.00 N ATOM 337 CA GLN A 27 12.226 14.613 10.895 1.00 0.00 C ATOM 338 C GLN A 27 12.643 13.604 9.829 1.00 0.00 C ATOM 339 O GLN A 27 11.831 12.799 9.371 1.00 0.00 O ATOM 340 CB GLN A 27 11.777 15.916 10.232 1.00 0.00 C ATOM 341 CG GLN A 27 10.895 16.778 11.121 1.00 0.00 C ATOM 342 CD GLN A 27 10.997 18.254 10.789 1.00 0.00 C ATOM 343 OE1 GLN A 27 12.055 18.740 10.387 1.00 0.00 O ATOM 344 NE2 GLN A 27 9.895 18.976 10.955 1.00 0.00 N ATOM 0 H GLN A 27 13.686 15.820 11.794 1.00 0.00 H new ATOM 0 HA GLN A 27 11.393 14.195 11.460 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.658 16.489 9.943 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.235 15.680 9.316 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.858 16.457 11.018 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.175 16.624 12.163 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.040 18.532 11.290 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.903 19.975 10.747 1.00 0.00 H new ATOM 353 N CYS A 28 13.912 13.653 9.439 1.00 0.00 N ATOM 354 CA CYS A 28 14.437 12.745 8.427 1.00 0.00 C ATOM 355 C CYS A 28 14.399 11.301 8.920 1.00 0.00 C ATOM 356 O CYS A 28 13.868 10.417 8.247 1.00 0.00 O ATOM 357 CB CYS A 28 15.870 13.132 8.059 1.00 0.00 C ATOM 358 SG CYS A 28 16.771 11.849 7.129 1.00 0.00 S ATOM 0 H CYS A 28 14.596 14.313 9.809 1.00 0.00 H new ATOM 0 HA CYS A 28 13.807 12.825 7.541 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.847 14.047 7.467 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.420 13.357 8.973 1.00 0.00 H new ATOM 363 N CYS A 29 14.965 11.069 10.100 1.00 0.00 N ATOM 364 CA CYS A 29 14.997 9.734 10.684 1.00 0.00 C ATOM 365 C CYS A 29 13.598 9.124 10.724 1.00 0.00 C ATOM 366 O CYS A 29 13.388 7.999 10.274 1.00 0.00 O ATOM 367 CB CYS A 29 15.583 9.787 12.097 1.00 0.00 C ATOM 368 SG CYS A 29 17.392 9.991 12.144 1.00 0.00 S ATOM 0 H CYS A 29 15.408 11.789 10.671 1.00 0.00 H new ATOM 0 HA CYS A 29 15.631 9.105 10.058 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.121 10.612 12.640 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.318 8.870 12.624 1.00 0.00 H new ATOM 373 N GLY A 30 12.646 9.877 11.266 1.00 0.00 N ATOM 374 CA GLY A 30 11.280 9.394 11.354 1.00 0.00 C ATOM 375 C GLY A 30 10.748 8.910 10.020 1.00 0.00 C ATOM 376 O GLY A 30 10.137 7.846 9.936 1.00 0.00 O ATOM 0 H GLY A 30 12.796 10.812 11.645 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.232 8.580 12.077 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.639 10.192 11.729 1.00 0.00 H new ATOM 380 N GLY A 31 10.980 9.696 8.972 1.00 0.00 N ATOM 381 CA GLY A 31 10.511 9.325 7.650 1.00 0.00 C ATOM 382 C GLY A 31 11.240 8.118 7.093 1.00 0.00 C ATOM 383 O GLY A 31 10.628 7.240 6.486 1.00 0.00 O ATOM 0 H GLY A 31 11.484 10.582 9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.443 9.112 7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.641 10.169 6.972 1.00 0.00 H new ATOM 387 N VAL A 32 12.553 8.075 7.300 1.00 0.00 N ATOM 388 CA VAL A 32 13.367 6.967 6.814 1.00 0.00 C ATOM 389 C VAL A 32 12.829 5.630 7.312 1.00 0.00 C ATOM 390 O VAL A 32 12.491 4.749 6.521 1.00 0.00 O ATOM 391 CB VAL A 32 14.835 7.114 7.255 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.666 5.946 6.743 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.406 8.438 6.771 1.00 0.00 C ATOM 0 H VAL A 32 13.075 8.794 7.801 1.00 0.00 H new ATOM 0 HA VAL A 32 13.318 6.992 5.725 1.00 0.00 H new ATOM 0 HB VAL A 32 14.872 7.105 8.344 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.701 6.067 7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.268 5.013 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.625 5.920 5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.444 8.525 7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.357 8.479 5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.826 9.260 7.191 1.00 0.00 H new ATOM 403 N LYS A 33 12.751 5.484 8.631 1.00 0.00 N ATOM 404 CA LYS A 33 12.253 4.256 9.237 1.00 0.00 C ATOM 405 C LYS A 33 10.835 3.952 8.765 1.00 0.00 C ATOM 406 O LYS A 33 10.394 2.803 8.788 1.00 0.00 O ATOM 407 CB LYS A 33 12.281 4.368 10.763 1.00 0.00 C ATOM 408 CG LYS A 33 13.645 4.087 11.370 1.00 0.00 C ATOM 409 CD LYS A 33 13.659 4.362 12.864 1.00 0.00 C ATOM 410 CE LYS A 33 14.556 3.382 13.603 1.00 0.00 C ATOM 411 NZ LYS A 33 13.992 3.003 14.928 1.00 0.00 N ATOM 0 H LYS A 33 13.027 6.202 9.301 1.00 0.00 H new ATOM 0 HA LYS A 33 12.903 3.438 8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.964 5.370 11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.555 3.671 11.183 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.918 3.047 11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.397 4.704 10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.004 5.380 13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.644 4.295 13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.692 2.486 12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.542 3.826 13.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.633 2.334 15.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.886 3.854 15.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.062 2.556 14.795 1.00 0.00 H new ATOM 425 N LYS A 34 10.124 4.990 8.336 1.00 0.00 N ATOM 426 CA LYS A 34 8.756 4.835 7.855 1.00 0.00 C ATOM 427 C LYS A 34 8.736 4.193 6.471 1.00 0.00 C ATOM 428 O LYS A 34 7.884 3.353 6.178 1.00 0.00 O ATOM 429 CB LYS A 34 8.053 6.193 7.810 1.00 0.00 C ATOM 430 CG LYS A 34 6.539 6.097 7.892 1.00 0.00 C ATOM 431 CD LYS A 34 6.017 6.639 9.212 1.00 0.00 C ATOM 432 CE LYS A 34 4.508 6.823 9.181 1.00 0.00 C ATOM 433 NZ LYS A 34 4.059 7.883 10.126 1.00 0.00 N ATOM 0 H LYS A 34 10.473 5.948 8.312 1.00 0.00 H new ATOM 0 HA LYS A 34 8.225 4.181 8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.415 6.808 8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.327 6.704 6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.093 6.653 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.233 5.057 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.285 5.956 10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.497 7.593 9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.194 7.082 8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.022 5.881 9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.025 7.978 10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.336 7.624 11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.503 8.788 9.869 1.00 0.00 H new ATOM 447 N LEU A 35 9.678 4.592 5.625 1.00 0.00 N ATOM 448 CA LEU A 35 9.769 4.055 4.272 1.00 0.00 C ATOM 449 C LEU A 35 10.107 2.568 4.298 1.00 0.00 C ATOM 450 O LEU A 35 9.572 1.784 3.512 1.00 0.00 O ATOM 451 CB LEU A 35 10.826 4.815 3.470 1.00 0.00 C ATOM 452 CG LEU A 35 10.818 4.583 1.958 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.515 5.727 1.238 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.480 3.255 1.619 1.00 0.00 C ATOM 0 H LEU A 35 10.390 5.286 5.852 1.00 0.00 H new ATOM 0 HA LEU A 35 8.798 4.180 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.696 5.881 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.809 4.543 3.854 1.00 0.00 H new ATOM 0 HG LEU A 35 9.782 4.547 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.499 5.544 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.998 6.662 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.548 5.796 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.465 3.106 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.512 3.263 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.937 2.444 2.104 1.00 0.00 H new ATOM 466 N LEU A 36 10.995 2.184 5.208 1.00 0.00 N ATOM 467 CA LEU A 36 11.403 0.790 5.339 1.00 0.00 C ATOM 468 C LEU A 36 10.367 -0.009 6.123 1.00 0.00 C ATOM 469 O LEU A 36 10.255 -1.224 5.963 1.00 0.00 O ATOM 470 CB LEU A 36 12.764 0.699 6.031 1.00 0.00 C ATOM 471 CG LEU A 36 13.931 1.375 5.310 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.093 1.596 6.265 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.371 0.545 4.113 1.00 0.00 C ATOM 0 H LEU A 36 11.447 2.819 5.866 1.00 0.00 H new ATOM 0 HA LEU A 36 11.482 0.365 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.674 1.138 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.009 -0.354 6.169 1.00 0.00 H new ATOM 0 HG LEU A 36 13.596 2.347 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 36 15.914 2.078 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.771 2.232 7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.429 0.636 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.202 1.041 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 36 14.688 -0.442 4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.539 0.440 3.417 1.00 0.00 H new ATOM 485 N ALA A 37 9.610 0.682 6.969 1.00 0.00 N ATOM 486 CA ALA A 37 8.580 0.038 7.774 1.00 0.00 C ATOM 487 C ALA A 37 7.349 -0.285 6.935 1.00 0.00 C ATOM 488 O ALA A 37 6.707 -1.317 7.129 1.00 0.00 O ATOM 489 CB ALA A 37 8.201 0.923 8.952 1.00 0.00 C ATOM 0 H ALA A 37 9.691 1.688 7.114 1.00 0.00 H new ATOM 0 HA ALA A 37 8.984 -0.900 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.431 0.430 9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.080 1.099 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.821 1.876 8.584 1.00 0.00 H new ATOM 495 N ALA A 38 7.025 0.604 6.002 1.00 0.00 N ATOM 496 CA ALA A 38 5.871 0.412 5.132 1.00 0.00 C ATOM 497 C ALA A 38 6.171 -0.609 4.039 1.00 0.00 C ATOM 498 O ALA A 38 5.292 -0.973 3.259 1.00 0.00 O ATOM 499 CB ALA A 38 5.448 1.738 4.516 1.00 0.00 C ATOM 0 H ALA A 38 7.545 1.464 5.829 1.00 0.00 H new ATOM 0 HA ALA A 38 5.051 0.027 5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.585 1.580 3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.184 2.439 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.271 2.146 3.930 1.00 0.00 H new ATOM 505 N ALA A 39 7.417 -1.067 3.990 1.00 0.00 N ATOM 506 CA ALA A 39 7.832 -2.047 2.994 1.00 0.00 C ATOM 507 C ALA A 39 8.450 -3.274 3.655 1.00 0.00 C ATOM 508 O ALA A 39 9.667 -3.355 3.819 1.00 0.00 O ATOM 509 CB ALA A 39 8.814 -1.421 2.015 1.00 0.00 C ATOM 0 H ALA A 39 8.157 -0.775 4.628 1.00 0.00 H new ATOM 0 HA ALA A 39 6.946 -2.370 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.116 -2.164 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.338 -0.580 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.693 -1.069 2.556 1.00 0.00 H new ATOM 515 N ASN A 40 7.604 -4.226 4.034 1.00 0.00 N ATOM 516 CA ASN A 40 8.068 -5.449 4.679 1.00 0.00 C ATOM 517 C ASN A 40 8.445 -6.502 3.642 1.00 0.00 C ATOM 518 O ASN A 40 9.411 -7.246 3.818 1.00 0.00 O ATOM 519 CB ASN A 40 6.988 -6.000 5.612 1.00 0.00 C ATOM 520 CG ASN A 40 7.394 -7.312 6.256 1.00 0.00 C ATOM 521 OD1 ASN A 40 8.560 -7.515 6.594 1.00 0.00 O ATOM 522 ND2 ASN A 40 6.430 -8.209 6.429 1.00 0.00 N ATOM 0 H ASN A 40 6.593 -4.174 3.906 1.00 0.00 H new ATOM 0 HA ASN A 40 8.955 -5.207 5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.776 -5.267 6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.065 -6.145 5.050 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.643 -9.110 6.858 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.477 -7.997 6.133 1.00 0.00 H new ATOM 529 N THR A 41 7.677 -6.559 2.558 1.00 0.00 N ATOM 530 CA THR A 41 7.929 -7.521 1.492 1.00 0.00 C ATOM 531 C THR A 41 8.924 -6.968 0.478 1.00 0.00 C ATOM 532 O THR A 41 9.512 -5.906 0.683 1.00 0.00 O ATOM 533 CB THR A 41 6.628 -7.904 0.762 1.00 0.00 C ATOM 534 OG1 THR A 41 6.148 -6.792 -0.001 1.00 0.00 O ATOM 535 CG2 THR A 41 5.561 -8.344 1.753 1.00 0.00 C ATOM 0 H THR A 41 6.875 -5.950 2.395 1.00 0.00 H new ATOM 0 HA THR A 41 8.349 -8.411 1.961 1.00 0.00 H new ATOM 0 HB THR A 41 6.845 -8.736 0.092 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.322 -7.045 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.651 -8.610 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.918 -9.209 2.311 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.348 -7.529 2.444 1.00 0.00 H new ATOM 543 N THR A 42 9.108 -7.695 -0.620 1.00 0.00 N ATOM 544 CA THR A 42 10.032 -7.278 -1.667 1.00 0.00 C ATOM 545 C THR A 42 9.386 -6.255 -2.595 1.00 0.00 C ATOM 546 O THR A 42 9.950 -5.198 -2.882 1.00 0.00 O ATOM 547 CB THR A 42 10.514 -8.479 -2.503 1.00 0.00 C ATOM 548 OG1 THR A 42 10.481 -9.671 -1.710 1.00 0.00 O ATOM 549 CG2 THR A 42 11.925 -8.246 -3.021 1.00 0.00 C ATOM 0 H THR A 42 8.629 -8.576 -0.807 1.00 0.00 H new ATOM 0 HA THR A 42 10.889 -6.824 -1.169 1.00 0.00 H new ATOM 0 HB THR A 42 9.846 -8.592 -3.357 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.787 -10.431 -2.248 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.244 -9.107 -3.608 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.940 -7.354 -3.647 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.604 -8.110 -2.179 1.00 0.00 H new ATOM 557 N PRO A 43 8.175 -6.572 -3.075 1.00 0.00 N ATOM 558 CA PRO A 43 7.426 -5.692 -3.977 1.00 0.00 C ATOM 559 C PRO A 43 7.384 -4.251 -3.478 1.00 0.00 C ATOM 560 O PRO A 43 7.637 -3.314 -4.236 1.00 0.00 O ATOM 561 CB PRO A 43 6.020 -6.298 -3.978 1.00 0.00 C ATOM 562 CG PRO A 43 6.228 -7.736 -3.648 1.00 0.00 C ATOM 563 CD PRO A 43 7.443 -7.814 -2.775 1.00 0.00 C ATOM 0 HA PRO A 43 7.882 -5.638 -4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.379 -5.812 -3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.539 -6.180 -4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.357 -8.144 -3.134 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.367 -8.324 -4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.174 -7.874 -1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.042 -8.696 -3.002 1.00 0.00 H new ATOM 571 N ASP A 44 7.064 -4.081 -2.200 1.00 0.00 N ATOM 572 CA ASP A 44 6.991 -2.754 -1.600 1.00 0.00 C ATOM 573 C ASP A 44 8.363 -2.088 -1.585 1.00 0.00 C ATOM 574 O ASP A 44 8.501 -0.920 -1.949 1.00 0.00 O ATOM 575 CB ASP A 44 6.439 -2.845 -0.177 1.00 0.00 C ATOM 576 CG ASP A 44 4.928 -2.725 -0.133 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.270 -3.168 -1.098 1.00 0.00 O ATOM 578 OD2 ASP A 44 4.404 -2.187 0.865 1.00 0.00 O ATOM 0 H ASP A 44 6.851 -4.846 -1.559 1.00 0.00 H new ATOM 0 HA ASP A 44 6.319 -2.145 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.738 -3.795 0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.881 -2.057 0.432 1.00 0.00 H new ATOM 583 N ARG A 45 9.375 -2.839 -1.161 1.00 0.00 N ATOM 584 CA ARG A 45 10.736 -2.320 -1.097 1.00 0.00 C ATOM 585 C ARG A 45 11.245 -1.954 -2.488 1.00 0.00 C ATOM 586 O ARG A 45 12.094 -1.075 -2.636 1.00 0.00 O ATOM 587 CB ARG A 45 11.667 -3.351 -0.456 1.00 0.00 C ATOM 588 CG ARG A 45 11.635 -3.340 1.063 1.00 0.00 C ATOM 589 CD ARG A 45 12.577 -4.381 1.648 1.00 0.00 C ATOM 590 NE ARG A 45 13.454 -3.814 2.668 1.00 0.00 N ATOM 591 CZ ARG A 45 14.253 -4.544 3.439 1.00 0.00 C ATOM 592 NH1 ARG A 45 14.285 -5.862 3.305 1.00 0.00 N ATOM 593 NH2 ARG A 45 15.022 -3.954 4.345 1.00 0.00 N ATOM 0 H ARG A 45 9.278 -3.808 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 45 10.726 -1.418 -0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.393 -4.345 -0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.687 -3.164 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.913 -2.351 1.427 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.619 -3.532 1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.995 -5.194 2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.181 -4.813 0.850 1.00 0.00 H new ATOM 0 HE ARG A 45 13.453 -2.802 2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.695 -6.318 2.609 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.899 -6.420 3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.000 -2.940 4.450 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.635 -4.515 4.937 1.00 0.00 H new ATOM 607 N GLN A 46 10.720 -2.634 -3.502 1.00 0.00 N ATOM 608 CA GLN A 46 11.123 -2.380 -4.881 1.00 0.00 C ATOM 609 C GLN A 46 10.652 -1.004 -5.341 1.00 0.00 C ATOM 610 O GLN A 46 11.430 -0.222 -5.886 1.00 0.00 O ATOM 611 CB GLN A 46 10.560 -3.460 -5.805 1.00 0.00 C ATOM 612 CG GLN A 46 11.488 -4.650 -5.987 1.00 0.00 C ATOM 613 CD GLN A 46 10.872 -5.748 -6.831 1.00 0.00 C ATOM 614 OE1 GLN A 46 9.861 -5.537 -7.503 1.00 0.00 O ATOM 615 NE2 GLN A 46 11.478 -6.929 -6.802 1.00 0.00 N ATOM 0 H GLN A 46 10.016 -3.364 -3.395 1.00 0.00 H new ATOM 0 HA GLN A 46 12.212 -2.405 -4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.609 -3.810 -5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.352 -3.020 -6.780 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.414 -4.315 -6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.751 -5.053 -5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.313 -7.060 -6.231 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.108 -7.706 -7.350 1.00 0.00 H new ATOM 624 N ALA A 47 9.374 -0.716 -5.118 1.00 0.00 N ATOM 625 CA ALA A 47 8.800 0.566 -5.508 1.00 0.00 C ATOM 626 C ALA A 47 9.561 1.724 -4.872 1.00 0.00 C ATOM 627 O ALA A 47 10.005 2.641 -5.562 1.00 0.00 O ATOM 628 CB ALA A 47 7.329 0.624 -5.125 1.00 0.00 C ATOM 0 H ALA A 47 8.716 -1.353 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 47 8.886 0.661 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.913 1.587 -5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.789 -0.176 -5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.229 0.503 -4.046 1.00 0.00 H new ATOM 634 N ALA A 48 9.706 1.676 -3.551 1.00 0.00 N ATOM 635 CA ALA A 48 10.414 2.721 -2.822 1.00 0.00 C ATOM 636 C ALA A 48 11.845 2.871 -3.329 1.00 0.00 C ATOM 637 O ALA A 48 12.276 3.968 -3.687 1.00 0.00 O ATOM 638 CB ALA A 48 10.410 2.419 -1.331 1.00 0.00 C ATOM 0 H ALA A 48 9.343 0.925 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 48 9.895 3.664 -2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.942 3.207 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.382 2.369 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.903 1.464 -1.152 1.00 0.00 H new ATOM 644 N CYS A 49 12.577 1.763 -3.357 1.00 0.00 N ATOM 645 CA CYS A 49 13.960 1.771 -3.819 1.00 0.00 C ATOM 646 C CYS A 49 14.088 2.523 -5.140 1.00 0.00 C ATOM 647 O CYS A 49 15.067 3.232 -5.370 1.00 0.00 O ATOM 648 CB CYS A 49 14.473 0.339 -3.983 1.00 0.00 C ATOM 649 SG CYS A 49 15.257 -0.347 -2.488 1.00 0.00 S ATOM 0 H CYS A 49 12.236 0.847 -3.065 1.00 0.00 H new ATOM 0 HA CYS A 49 14.564 2.283 -3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 49 13.640 -0.303 -4.271 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.192 0.314 -4.801 1.00 0.00 H new ATOM 654 N ASN A 50 13.091 2.363 -6.004 1.00 0.00 N ATOM 655 CA ASN A 50 13.092 3.027 -7.303 1.00 0.00 C ATOM 656 C ASN A 50 12.994 4.541 -7.140 1.00 0.00 C ATOM 657 O ASN A 50 13.713 5.294 -7.797 1.00 0.00 O ATOM 658 CB ASN A 50 11.930 2.519 -8.159 1.00 0.00 C ATOM 659 CG ASN A 50 12.039 1.037 -8.461 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.136 0.508 -8.642 1.00 0.00 O ATOM 661 ND2 ASN A 50 10.899 0.359 -8.517 1.00 0.00 N ATOM 0 H ASN A 50 12.273 1.780 -5.829 1.00 0.00 H new ATOM 0 HA ASN A 50 14.032 2.793 -7.802 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.990 2.714 -7.643 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.901 3.077 -9.095 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.910 -0.641 -8.717 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.012 0.838 -8.360 1.00 0.00 H new ATOM 668 N CYS A 51 12.101 4.979 -6.260 1.00 0.00 N ATOM 669 CA CYS A 51 11.908 6.402 -6.010 1.00 0.00 C ATOM 670 C CYS A 51 13.103 6.990 -5.265 1.00 0.00 C ATOM 671 O CYS A 51 13.461 8.153 -5.460 1.00 0.00 O ATOM 672 CB CYS A 51 10.628 6.631 -5.203 1.00 0.00 C ATOM 673 SG CYS A 51 9.095 6.397 -6.159 1.00 0.00 S ATOM 0 H CYS A 51 11.499 4.369 -5.708 1.00 0.00 H new ATOM 0 HA CYS A 51 11.818 6.905 -6.973 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.621 5.950 -4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.641 7.644 -4.800 1.00 0.00 H new ATOM 678 N LEU A 52 13.718 6.179 -4.411 1.00 0.00 N ATOM 679 CA LEU A 52 14.874 6.618 -3.636 1.00 0.00 C ATOM 680 C LEU A 52 16.119 6.698 -4.513 1.00 0.00 C ATOM 681 O LEU A 52 16.734 7.757 -4.643 1.00 0.00 O ATOM 682 CB LEU A 52 15.121 5.664 -2.466 1.00 0.00 C ATOM 683 CG LEU A 52 14.406 6.006 -1.158 1.00 0.00 C ATOM 684 CD1 LEU A 52 14.633 4.914 -0.125 1.00 0.00 C ATOM 685 CD2 LEU A 52 14.880 7.351 -0.628 1.00 0.00 C ATOM 0 H LEU A 52 13.436 5.214 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 52 14.662 7.614 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.819 4.662 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.193 5.629 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 52 13.336 6.073 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.117 5.174 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.244 3.969 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.701 4.815 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.361 7.579 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.954 7.312 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.665 8.128 -1.362 1.00 0.00 H new ATOM 697 N LYS A 53 16.485 5.572 -5.117 1.00 0.00 N ATOM 698 CA LYS A 53 17.654 5.514 -5.985 1.00 0.00 C ATOM 699 C LYS A 53 17.611 6.624 -7.030 1.00 0.00 C ATOM 700 O LYS A 53 18.629 7.251 -7.326 1.00 0.00 O ATOM 701 CB LYS A 53 17.734 4.151 -6.677 1.00 0.00 C ATOM 702 CG LYS A 53 19.155 3.692 -6.954 1.00 0.00 C ATOM 703 CD LYS A 53 19.554 2.538 -6.049 1.00 0.00 C ATOM 704 CE LYS A 53 19.494 2.933 -4.582 1.00 0.00 C ATOM 705 NZ LYS A 53 18.543 2.081 -3.816 1.00 0.00 N ATOM 0 H LYS A 53 15.988 4.687 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 53 18.541 5.654 -5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.236 3.407 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.186 4.198 -7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.243 3.385 -7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.843 4.525 -6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.892 1.690 -6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 53 20.564 2.212 -6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 53 20.488 2.852 -4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.193 3.977 -4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.787 2.110 -2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.575 2.436 -3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.602 1.101 -4.158 1.00 0.00 H new ATOM 719 N SER A 54 16.428 6.863 -7.585 1.00 0.00 N ATOM 720 CA SER A 54 16.253 7.897 -8.599 1.00 0.00 C ATOM 721 C SER A 54 16.265 9.285 -7.967 1.00 0.00 C ATOM 722 O SER A 54 16.626 10.269 -8.611 1.00 0.00 O ATOM 723 CB SER A 54 14.943 7.680 -9.358 1.00 0.00 C ATOM 724 OG SER A 54 14.674 8.764 -10.232 1.00 0.00 O ATOM 0 H SER A 54 15.575 6.355 -7.350 1.00 0.00 H new ATOM 0 HA SER A 54 17.085 7.829 -9.299 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.999 6.753 -9.929 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.123 7.568 -8.649 1.00 0.00 H new ATOM 0 HG SER A 54 13.832 8.601 -10.707 1.00 0.00 H new ATOM 730 N ALA A 55 15.867 9.355 -6.701 1.00 0.00 N ATOM 731 CA ALA A 55 15.833 10.621 -5.980 1.00 0.00 C ATOM 732 C ALA A 55 17.242 11.102 -5.648 1.00 0.00 C ATOM 733 O ALA A 55 17.606 12.240 -5.945 1.00 0.00 O ATOM 734 CB ALA A 55 15.008 10.483 -4.709 1.00 0.00 C ATOM 0 H ALA A 55 15.564 8.550 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 55 15.365 11.365 -6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.991 11.436 -4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.989 10.193 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.452 9.721 -4.068 1.00 0.00 H new ATOM 740 N ALA A 56 18.030 10.228 -5.030 1.00 0.00 N ATOM 741 CA ALA A 56 19.400 10.564 -4.660 1.00 0.00 C ATOM 742 C ALA A 56 20.261 10.798 -5.896 1.00 0.00 C ATOM 743 O ALA A 56 21.361 11.342 -5.804 1.00 0.00 O ATOM 744 CB ALA A 56 19.998 9.462 -3.798 1.00 0.00 C ATOM 0 H ALA A 56 17.744 9.283 -4.775 1.00 0.00 H new ATOM 0 HA ALA A 56 19.379 11.490 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.021 9.725 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.403 9.345 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.999 8.525 -4.355 1.00 0.00 H new ATOM 750 N GLY A 57 19.754 10.382 -7.053 1.00 0.00 N ATOM 751 CA GLY A 57 20.492 10.555 -8.291 1.00 0.00 C ATOM 752 C GLY A 57 20.713 12.015 -8.635 1.00 0.00 C ATOM 753 O GLY A 57 21.534 12.340 -9.492 1.00 0.00 O ATOM 0 H GLY A 57 18.846 9.929 -7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.457 10.054 -8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 57 19.950 10.071 -9.104 1.00 0.00 H new ATOM 757 N SER A 58 19.976 12.897 -7.967 1.00 0.00 N ATOM 758 CA SER A 58 20.092 14.330 -8.211 1.00 0.00 C ATOM 759 C SER A 58 21.028 14.980 -7.197 1.00 0.00 C ATOM 760 O SER A 58 21.179 16.202 -7.169 1.00 0.00 O ATOM 761 CB SER A 58 18.714 14.992 -8.147 1.00 0.00 C ATOM 762 OG SER A 58 17.762 14.262 -8.901 1.00 0.00 O ATOM 0 H SER A 58 19.293 12.644 -7.253 1.00 0.00 H new ATOM 0 HA SER A 58 20.510 14.471 -9.208 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.387 15.059 -7.109 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.779 16.012 -8.527 1.00 0.00 H new ATOM 0 HG SER A 58 16.890 14.705 -8.843 1.00 0.00 H new ATOM 768 N ILE A 59 21.655 14.154 -6.366 1.00 0.00 N ATOM 769 CA ILE A 59 22.577 14.647 -5.351 1.00 0.00 C ATOM 770 C ILE A 59 23.971 14.862 -5.932 1.00 0.00 C ATOM 771 O ILE A 59 24.672 13.905 -6.264 1.00 0.00 O ATOM 772 CB ILE A 59 22.674 13.677 -4.158 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.284 13.404 -3.581 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.597 14.243 -3.089 1.00 0.00 C ATOM 775 CD1 ILE A 59 21.298 12.479 -2.384 1.00 0.00 C ATOM 0 H ILE A 59 21.541 13.140 -6.376 1.00 0.00 H new ATOM 0 HA ILE A 59 22.180 15.600 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 59 23.093 12.733 -4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.827 14.351 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.656 12.970 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.655 13.546 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.592 14.390 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.206 15.198 -2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.279 12.330 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.726 11.519 -2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.899 12.921 -1.590 1.00 0.00 H new ATOM 787 N THR A 60 24.369 16.125 -6.051 1.00 0.00 N ATOM 788 CA THR A 60 25.678 16.466 -6.591 1.00 0.00 C ATOM 789 C THR A 60 26.793 16.029 -5.647 1.00 0.00 C ATOM 790 O THR A 60 26.785 16.366 -4.463 1.00 0.00 O ATOM 791 CB THR A 60 25.803 17.979 -6.849 1.00 0.00 C ATOM 792 OG1 THR A 60 27.144 18.302 -7.233 1.00 0.00 O ATOM 793 CG2 THR A 60 25.420 18.773 -5.610 1.00 0.00 C ATOM 0 H THR A 60 23.802 16.929 -5.780 1.00 0.00 H new ATOM 0 HA THR A 60 25.777 15.934 -7.537 1.00 0.00 H new ATOM 0 HB THR A 60 25.121 18.244 -7.656 1.00 0.00 H new ATOM 0 HG1 THR A 60 27.214 19.266 -7.397 1.00 0.00 H new ATOM 0 HG21 THR A 60 25.516 19.839 -5.817 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.389 18.548 -5.338 1.00 0.00 H new ATOM 0 HG23 THR A 60 26.080 18.502 -4.786 1.00 0.00 H new ATOM 801 N LYS A 61 27.752 15.279 -6.179 1.00 0.00 N ATOM 802 CA LYS A 61 28.876 14.797 -5.384 1.00 0.00 C ATOM 803 C LYS A 61 28.390 13.961 -4.204 1.00 0.00 C ATOM 804 O LYS A 61 28.869 14.118 -3.080 1.00 0.00 O ATOM 805 CB LYS A 61 29.712 15.975 -4.879 1.00 0.00 C ATOM 806 CG LYS A 61 30.673 16.528 -5.916 1.00 0.00 C ATOM 807 CD LYS A 61 31.929 17.088 -5.270 1.00 0.00 C ATOM 808 CE LYS A 61 33.087 17.141 -6.256 1.00 0.00 C ATOM 809 NZ LYS A 61 33.846 15.860 -6.288 1.00 0.00 N ATOM 0 H LYS A 61 27.774 14.992 -7.157 1.00 0.00 H new ATOM 0 HA LYS A 61 29.496 14.166 -6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.043 16.772 -4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.279 15.658 -4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.944 15.740 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.178 17.311 -6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.728 18.089 -4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.206 16.471 -4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.706 17.362 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 61 33.759 17.955 -5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 34.626 15.936 -6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.231 15.661 -5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.211 15.087 -6.572 1.00 0.00 H new ATOM 823 N LEU A 62 27.438 13.073 -4.467 1.00 0.00 N ATOM 824 CA LEU A 62 26.888 12.211 -3.427 1.00 0.00 C ATOM 825 C LEU A 62 28.002 11.514 -2.651 1.00 0.00 C ATOM 826 O LEU A 62 28.991 11.068 -3.232 1.00 0.00 O ATOM 827 CB LEU A 62 25.952 11.169 -4.042 1.00 0.00 C ATOM 828 CG LEU A 62 25.425 10.095 -3.090 1.00 0.00 C ATOM 829 CD1 LEU A 62 24.112 10.536 -2.461 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.250 8.773 -3.823 1.00 0.00 C ATOM 0 H LEU A 62 27.031 12.931 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 62 26.323 12.835 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 62 25.099 11.689 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.478 10.675 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 62 26.155 9.952 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.752 9.759 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.268 11.458 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.373 10.707 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.874 8.020 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.540 8.901 -4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.210 8.450 -4.224 1.00 0.00 H new ATOM 842 N ASN A 63 27.834 11.423 -1.336 1.00 0.00 N ATOM 843 CA ASN A 63 28.824 10.779 -0.481 1.00 0.00 C ATOM 844 C ASN A 63 28.303 9.446 0.047 1.00 0.00 C ATOM 845 O ASN A 63 27.470 9.407 0.953 1.00 0.00 O ATOM 846 CB ASN A 63 29.192 11.695 0.688 1.00 0.00 C ATOM 847 CG ASN A 63 30.616 11.483 1.163 1.00 0.00 C ATOM 848 OD1 ASN A 63 31.041 10.353 1.403 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.363 12.573 1.300 1.00 0.00 N ATOM 0 H ASN A 63 27.021 11.787 -0.839 1.00 0.00 H new ATOM 0 HA ASN A 63 29.715 10.589 -1.079 1.00 0.00 H new ATOM 0 HB2 ASN A 63 29.064 12.734 0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.506 11.517 1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.330 12.492 1.615 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.970 13.490 1.090 1.00 0.00 H new ATOM 856 N THR A 64 28.799 8.354 -0.526 1.00 0.00 N ATOM 857 CA THR A 64 28.383 7.019 -0.114 1.00 0.00 C ATOM 858 C THR A 64 28.546 6.832 1.390 1.00 0.00 C ATOM 859 O THR A 64 27.788 6.094 2.018 1.00 0.00 O ATOM 860 CB THR A 64 29.190 5.929 -0.845 1.00 0.00 C ATOM 861 OG1 THR A 64 30.587 6.242 -0.803 1.00 0.00 O ATOM 862 CG2 THR A 64 28.738 5.800 -2.292 1.00 0.00 C ATOM 0 H THR A 64 29.489 8.368 -1.277 1.00 0.00 H new ATOM 0 HA THR A 64 27.330 6.921 -0.378 1.00 0.00 H new ATOM 0 HB THR A 64 29.016 4.979 -0.340 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.093 5.543 -1.268 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.322 5.025 -2.788 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.682 5.533 -2.321 1.00 0.00 H new ATOM 0 HG23 THR A 64 28.886 6.750 -2.806 1.00 0.00 H new ATOM 870 N ASN A 65 29.538 7.507 1.962 1.00 0.00 N ATOM 871 CA ASN A 65 29.799 7.415 3.394 1.00 0.00 C ATOM 872 C ASN A 65 28.688 8.088 4.194 1.00 0.00 C ATOM 873 O ASN A 65 28.200 7.539 5.181 1.00 0.00 O ATOM 874 CB ASN A 65 31.146 8.058 3.730 1.00 0.00 C ATOM 875 CG ASN A 65 32.319 7.251 3.207 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.972 7.641 2.239 1.00 0.00 O ATOM 877 ND2 ASN A 65 32.590 6.119 3.846 1.00 0.00 N ATOM 0 H ASN A 65 30.174 8.123 1.456 1.00 0.00 H new ATOM 0 HA ASN A 65 29.830 6.360 3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.182 9.062 3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.235 8.164 4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 65 33.367 5.533 3.539 1.00 0.00 H new ATOM 0 HD22 ASN A 65 32.022 5.835 4.644 1.00 0.00 H new ATOM 884 N ASN A 66 28.293 9.280 3.759 1.00 0.00 N ATOM 885 CA ASN A 66 27.239 10.028 4.435 1.00 0.00 C ATOM 886 C ASN A 66 25.887 9.342 4.262 1.00 0.00 C ATOM 887 O ASN A 66 25.069 9.319 5.181 1.00 0.00 O ATOM 888 CB ASN A 66 27.171 11.457 3.892 1.00 0.00 C ATOM 889 CG ASN A 66 28.439 12.241 4.167 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.545 11.707 4.074 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.285 13.515 4.508 1.00 0.00 N ATOM 0 H ASN A 66 28.686 9.748 2.943 1.00 0.00 H new ATOM 0 HA ASN A 66 27.476 10.061 5.498 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.992 11.426 2.817 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.323 11.974 4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.102 14.093 4.705 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.349 13.916 4.573 1.00 0.00 H new ATOM 898 N ALA A 67 25.661 8.782 3.078 1.00 0.00 N ATOM 899 CA ALA A 67 24.411 8.093 2.785 1.00 0.00 C ATOM 900 C ALA A 67 24.209 6.902 3.716 1.00 0.00 C ATOM 901 O ALA A 67 23.097 6.642 4.173 1.00 0.00 O ATOM 902 CB ALA A 67 24.386 7.639 1.332 1.00 0.00 C ATOM 0 H ALA A 67 26.328 8.792 2.306 1.00 0.00 H new ATOM 0 HA ALA A 67 23.592 8.793 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.446 7.126 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.476 8.507 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.218 6.959 1.149 1.00 0.00 H new ATOM 908 N ALA A 68 25.292 6.183 3.992 1.00 0.00 N ATOM 909 CA ALA A 68 25.233 5.021 4.870 1.00 0.00 C ATOM 910 C ALA A 68 25.135 5.442 6.332 1.00 0.00 C ATOM 911 O ALA A 68 24.609 4.705 7.166 1.00 0.00 O ATOM 912 CB ALA A 68 26.452 4.135 4.655 1.00 0.00 C ATOM 0 H ALA A 68 26.220 6.385 3.620 1.00 0.00 H new ATOM 0 HA ALA A 68 24.336 4.454 4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.395 3.271 5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.478 3.797 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.357 4.702 4.875 1.00 0.00 H new ATOM 918 N ALA A 69 25.643 6.631 6.636 1.00 0.00 N ATOM 919 CA ALA A 69 25.611 7.151 7.998 1.00 0.00 C ATOM 920 C ALA A 69 24.202 7.586 8.386 1.00 0.00 C ATOM 921 O ALA A 69 23.827 7.539 9.558 1.00 0.00 O ATOM 922 CB ALA A 69 26.583 8.312 8.143 1.00 0.00 C ATOM 0 H ALA A 69 26.082 7.253 5.957 1.00 0.00 H new ATOM 0 HA ALA A 69 25.915 6.351 8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.548 8.690 9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.593 7.971 7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.305 9.108 7.452 1.00 0.00 H new ATOM 928 N LEU A 70 23.425 8.011 7.395 1.00 0.00 N ATOM 929 CA LEU A 70 22.056 8.456 7.633 1.00 0.00 C ATOM 930 C LEU A 70 21.258 7.388 8.374 1.00 0.00 C ATOM 931 O LEU A 70 20.723 7.619 9.459 1.00 0.00 O ATOM 932 CB LEU A 70 21.371 8.793 6.308 1.00 0.00 C ATOM 933 CG LEU A 70 19.851 8.630 6.278 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.201 9.483 7.357 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.303 8.995 4.905 1.00 0.00 C ATOM 0 H LEU A 70 23.720 8.057 6.420 1.00 0.00 H new ATOM 0 HA LEU A 70 22.093 9.351 8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.611 9.824 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.800 8.162 5.530 1.00 0.00 H new ATOM 0 HG LEU A 70 19.613 7.585 6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.119 9.354 7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.570 9.176 8.335 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.447 10.532 7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.220 8.873 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.552 10.031 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.744 8.342 4.152 1.00 0.00 H new ATOM 947 N PRO A 71 21.175 6.190 7.778 1.00 0.00 N ATOM 948 CA PRO A 71 20.446 5.062 8.365 1.00 0.00 C ATOM 949 C PRO A 71 21.139 4.506 9.605 1.00 0.00 C ATOM 950 O PRO A 71 20.484 4.101 10.564 1.00 0.00 O ATOM 951 CB PRO A 71 20.441 4.020 7.243 1.00 0.00 C ATOM 952 CG PRO A 71 21.635 4.349 6.416 1.00 0.00 C ATOM 953 CD PRO A 71 21.788 5.844 6.484 1.00 0.00 C ATOM 0 HA PRO A 71 19.450 5.351 8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.503 3.008 7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.525 4.075 6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.524 3.848 6.798 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.500 4.017 5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.835 6.143 6.442 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.282 6.338 5.655 1.00 0.00 H new ATOM 961 N GLY A 72 22.468 4.491 9.578 1.00 0.00 N ATOM 962 CA GLY A 72 23.227 3.984 10.706 1.00 0.00 C ATOM 963 C GLY A 72 23.024 4.810 11.960 1.00 0.00 C ATOM 964 O GLY A 72 22.792 4.266 13.040 1.00 0.00 O ATOM 0 H GLY A 72 23.033 4.821 8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.934 2.953 10.903 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.287 3.971 10.451 1.00 0.00 H new ATOM 968 N LYS A 73 23.113 6.128 11.820 1.00 0.00 N ATOM 969 CA LYS A 73 22.938 7.032 12.950 1.00 0.00 C ATOM 970 C LYS A 73 21.464 7.155 13.325 1.00 0.00 C ATOM 971 O LYS A 73 21.128 7.515 14.454 1.00 0.00 O ATOM 972 CB LYS A 73 23.507 8.413 12.619 1.00 0.00 C ATOM 973 CG LYS A 73 25.006 8.522 12.839 1.00 0.00 C ATOM 974 CD LYS A 73 25.783 8.141 11.590 1.00 0.00 C ATOM 975 CE LYS A 73 27.271 8.407 11.757 1.00 0.00 C ATOM 976 NZ LYS A 73 27.839 7.673 12.921 1.00 0.00 N ATOM 0 H LYS A 73 23.306 6.594 10.934 1.00 0.00 H new ATOM 0 HA LYS A 73 23.479 6.618 13.801 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.283 8.649 11.579 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.003 9.161 13.231 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.259 9.542 13.129 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.301 7.874 13.664 1.00 0.00 H new ATOM 0 HD2 LYS A 73 25.623 7.086 11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.405 8.706 10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.797 8.111 10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.436 9.477 11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.877 7.742 12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 27.480 8.090 13.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.558 6.673 12.871 1.00 0.00 H new ATOM 990 N CYS A 74 20.589 6.853 12.373 1.00 0.00 N ATOM 991 CA CYS A 74 19.151 6.928 12.603 1.00 0.00 C ATOM 992 C CYS A 74 18.640 5.655 13.270 1.00 0.00 C ATOM 993 O CYS A 74 17.444 5.510 13.521 1.00 0.00 O ATOM 994 CB CYS A 74 18.414 7.156 11.282 1.00 0.00 C ATOM 995 SG CYS A 74 18.294 8.906 10.789 1.00 0.00 S ATOM 0 H CYS A 74 20.850 6.554 11.434 1.00 0.00 H new ATOM 0 HA CYS A 74 18.958 7.769 13.269 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.924 6.602 10.494 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.409 6.743 11.363 1.00 0.00 H new ATOM 1000 N GLY A 75 19.555 4.734 13.556 1.00 0.00 N ATOM 1001 CA GLY A 75 19.178 3.485 14.192 1.00 0.00 C ATOM 1002 C GLY A 75 18.363 2.592 13.277 1.00 0.00 C ATOM 1003 O GLY A 75 17.572 1.771 13.742 1.00 0.00 O ATOM 0 H GLY A 75 20.551 4.830 13.359 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.077 2.955 14.506 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.603 3.699 15.093 1.00 0.00 H new ATOM 1007 N VAL A 76 18.555 2.751 11.972 1.00 0.00 N ATOM 1008 CA VAL A 76 17.831 1.953 10.989 1.00 0.00 C ATOM 1009 C VAL A 76 18.702 1.657 9.773 1.00 0.00 C ATOM 1010 O VAL A 76 18.631 2.355 8.762 1.00 0.00 O ATOM 1011 CB VAL A 76 16.546 2.663 10.526 1.00 0.00 C ATOM 1012 CG1 VAL A 76 16.850 4.089 10.091 1.00 0.00 C ATOM 1013 CG2 VAL A 76 15.882 1.884 9.401 1.00 0.00 C ATOM 0 H VAL A 76 19.206 3.425 11.570 1.00 0.00 H new ATOM 0 HA VAL A 76 17.563 1.016 11.477 1.00 0.00 H new ATOM 0 HB VAL A 76 15.853 2.705 11.366 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.929 4.575 9.767 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.277 4.642 10.928 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.562 4.074 9.266 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.975 2.401 9.086 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.568 1.808 8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.627 0.884 9.752 1.00 0.00 H new ATOM 1023 N ASN A 77 19.523 0.617 9.878 1.00 0.00 N ATOM 1024 CA ASN A 77 20.408 0.228 8.786 1.00 0.00 C ATOM 1025 C ASN A 77 19.719 -0.764 7.855 1.00 0.00 C ATOM 1026 O ASN A 77 18.949 -1.616 8.299 1.00 0.00 O ATOM 1027 CB ASN A 77 21.696 -0.385 9.340 1.00 0.00 C ATOM 1028 CG ASN A 77 21.428 -1.416 10.419 1.00 0.00 C ATOM 1029 OD1 ASN A 77 20.702 -2.386 10.200 1.00 0.00 O ATOM 1030 ND2 ASN A 77 22.014 -1.209 11.593 1.00 0.00 N ATOM 0 H ASN A 77 19.594 0.029 10.708 1.00 0.00 H new ATOM 0 HA ASN A 77 20.656 1.123 8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 77 22.253 -0.851 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 77 22.326 0.406 9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 77 21.870 -1.868 12.358 1.00 0.00 H new ATOM 0 HD22 ASN A 77 22.608 -0.391 11.729 1.00 0.00 H new ATOM 1037 N ILE A 78 20.001 -0.647 6.562 1.00 0.00 N ATOM 1038 CA ILE A 78 19.410 -1.534 5.568 1.00 0.00 C ATOM 1039 C ILE A 78 20.463 -2.448 4.951 1.00 0.00 C ATOM 1040 O ILE A 78 21.656 -2.144 4.943 1.00 0.00 O ATOM 1041 CB ILE A 78 18.715 -0.740 4.446 1.00 0.00 C ATOM 1042 CG1 ILE A 78 19.610 0.408 3.974 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.373 -0.209 4.926 1.00 0.00 C ATOM 1044 CD1 ILE A 78 19.403 1.693 4.746 1.00 0.00 C ATOM 0 H ILE A 78 20.635 0.054 6.178 1.00 0.00 H new ATOM 0 HA ILE A 78 18.667 -2.139 6.088 1.00 0.00 H new ATOM 0 HB ILE A 78 18.539 -1.409 3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.653 0.105 4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.421 0.594 2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.894 0.350 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.735 -1.043 5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.527 0.447 5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 78 20.070 2.462 4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.369 2.020 4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.621 1.523 5.800 1.00 0.00 H new ATOM 1056 N PRO A 79 20.014 -3.594 4.419 1.00 0.00 N ATOM 1057 CA PRO A 79 20.901 -4.575 3.787 1.00 0.00 C ATOM 1058 C PRO A 79 21.473 -4.073 2.466 1.00 0.00 C ATOM 1059 O PRO A 79 22.412 -4.656 1.923 1.00 0.00 O ATOM 1060 CB PRO A 79 19.987 -5.780 3.550 1.00 0.00 C ATOM 1061 CG PRO A 79 18.616 -5.204 3.465 1.00 0.00 C ATOM 1062 CD PRO A 79 18.605 -4.021 4.394 1.00 0.00 C ATOM 0 HA PRO A 79 21.770 -4.797 4.407 1.00 0.00 H new ATOM 0 HB2 PRO A 79 20.254 -6.305 2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 79 20.064 -6.501 4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 79 18.383 -4.901 2.444 1.00 0.00 H new ATOM 0 HG3 PRO A 79 17.866 -5.938 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 79 17.951 -3.229 4.028 1.00 0.00 H new ATOM 0 HD3 PRO A 79 18.250 -4.294 5.388 1.00 0.00 H new ATOM 1070 N TYR A 80 20.903 -2.988 1.955 1.00 0.00 N ATOM 1071 CA TYR A 80 21.356 -2.408 0.696 1.00 0.00 C ATOM 1072 C TYR A 80 21.942 -1.017 0.916 1.00 0.00 C ATOM 1073 O TYR A 80 21.612 -0.337 1.889 1.00 0.00 O ATOM 1074 CB TYR A 80 20.198 -2.333 -0.301 1.00 0.00 C ATOM 1075 CG TYR A 80 19.058 -1.453 0.159 1.00 0.00 C ATOM 1076 CD1 TYR A 80 18.113 -1.922 1.064 1.00 0.00 C ATOM 1077 CD2 TYR A 80 18.926 -0.152 -0.310 1.00 0.00 C ATOM 1078 CE1 TYR A 80 17.070 -1.121 1.487 1.00 0.00 C ATOM 1079 CE2 TYR A 80 17.887 0.657 0.109 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.961 0.167 1.007 1.00 0.00 C ATOM 1081 OH TYR A 80 15.924 0.969 1.426 1.00 0.00 O ATOM 0 H TYR A 80 20.127 -2.492 2.393 1.00 0.00 H new ATOM 0 HA TYR A 80 22.136 -3.051 0.290 1.00 0.00 H new ATOM 0 HB2 TYR A 80 20.573 -1.958 -1.253 1.00 0.00 H new ATOM 0 HB3 TYR A 80 19.819 -3.339 -0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 80 18.196 -2.930 1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 80 19.648 0.234 -1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 80 16.344 -1.502 2.190 1.00 0.00 H new ATOM 0 HE2 TYR A 80 17.800 1.667 -0.264 1.00 0.00 H new ATOM 0 HH TYR A 80 15.994 1.846 0.994 1.00 0.00 H new ATOM 1091 N LYS A 81 22.813 -0.598 0.004 1.00 0.00 N ATOM 1092 CA LYS A 81 23.446 0.713 0.095 1.00 0.00 C ATOM 1093 C LYS A 81 22.557 1.790 -0.519 1.00 0.00 C ATOM 1094 O LYS A 81 21.568 1.485 -1.186 1.00 0.00 O ATOM 1095 CB LYS A 81 24.805 0.696 -0.609 1.00 0.00 C ATOM 1096 CG LYS A 81 25.932 0.161 0.258 1.00 0.00 C ATOM 1097 CD LYS A 81 27.272 0.757 -0.141 1.00 0.00 C ATOM 1098 CE LYS A 81 28.283 -0.326 -0.484 1.00 0.00 C ATOM 1099 NZ LYS A 81 29.566 0.249 -0.976 1.00 0.00 N ATOM 0 H LYS A 81 23.097 -1.148 -0.807 1.00 0.00 H new ATOM 0 HA LYS A 81 23.593 0.946 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 81 24.731 0.087 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 81 25.052 1.709 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 81 25.728 0.390 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.975 -0.925 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 81 27.138 1.416 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 81 27.656 1.370 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 81 28.474 -0.937 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.865 -0.985 -1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 30.229 -0.521 -1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 29.388 0.812 -1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.978 0.858 -0.241 1.00 0.00 H new ATOM 1113 N ILE A 82 22.916 3.048 -0.290 1.00 0.00 N ATOM 1114 CA ILE A 82 22.152 4.169 -0.823 1.00 0.00 C ATOM 1115 C ILE A 82 22.966 4.951 -1.848 1.00 0.00 C ATOM 1116 O ILE A 82 23.914 5.655 -1.498 1.00 0.00 O ATOM 1117 CB ILE A 82 21.702 5.126 0.296 1.00 0.00 C ATOM 1118 CG1 ILE A 82 21.189 4.333 1.500 1.00 0.00 C ATOM 1119 CG2 ILE A 82 20.628 6.073 -0.217 1.00 0.00 C ATOM 1120 CD1 ILE A 82 20.052 3.392 1.164 1.00 0.00 C ATOM 0 H ILE A 82 23.731 3.317 0.261 1.00 0.00 H new ATOM 0 HA ILE A 82 21.270 3.748 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 82 22.560 5.718 0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 82 22.012 3.758 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 82 20.858 5.030 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 82 20.320 6.743 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.025 6.658 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 82 19.768 5.497 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 82 19.739 2.863 2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 82 19.212 3.963 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 82 20.385 2.671 0.417 1.00 0.00 H new ATOM 1132 N SER A 83 22.589 4.825 -3.116 1.00 0.00 N ATOM 1133 CA SER A 83 23.285 5.518 -4.194 1.00 0.00 C ATOM 1134 C SER A 83 22.636 5.219 -5.541 1.00 0.00 C ATOM 1135 O SER A 83 21.828 4.297 -5.665 1.00 0.00 O ATOM 1136 CB SER A 83 24.759 5.110 -4.223 1.00 0.00 C ATOM 1137 OG SER A 83 24.906 3.716 -4.016 1.00 0.00 O ATOM 0 H SER A 83 21.805 4.249 -3.422 1.00 0.00 H new ATOM 0 HA SER A 83 23.216 6.590 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.197 5.387 -5.182 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.306 5.655 -3.453 1.00 0.00 H new ATOM 0 HG SER A 83 25.857 3.480 -4.041 1.00 0.00 H new ATOM 1143 N THR A 84 22.994 6.006 -6.552 1.00 0.00 N ATOM 1144 CA THR A 84 22.446 5.827 -7.891 1.00 0.00 C ATOM 1145 C THR A 84 23.093 4.641 -8.596 1.00 0.00 C ATOM 1146 O THR A 84 22.700 4.273 -9.703 1.00 0.00 O ATOM 1147 CB THR A 84 22.642 7.090 -8.751 1.00 0.00 C ATOM 1148 OG1 THR A 84 22.195 6.846 -10.089 1.00 0.00 O ATOM 1149 CG2 THR A 84 24.104 7.511 -8.768 1.00 0.00 C ATOM 0 H THR A 84 23.661 6.773 -6.468 1.00 0.00 H new ATOM 0 HA THR A 84 21.379 5.638 -7.773 1.00 0.00 H new ATOM 0 HB THR A 84 22.053 7.896 -8.313 1.00 0.00 H new ATOM 0 HG1 THR A 84 22.033 5.887 -10.210 1.00 0.00 H new ATOM 0 HG21 THR A 84 24.218 8.405 -9.381 1.00 0.00 H new ATOM 0 HG22 THR A 84 24.433 7.724 -7.751 1.00 0.00 H new ATOM 0 HG23 THR A 84 24.710 6.706 -9.184 1.00 0.00 H new ATOM 1157 N THR A 85 24.088 4.043 -7.947 1.00 0.00 N ATOM 1158 CA THR A 85 24.790 2.898 -8.512 1.00 0.00 C ATOM 1159 C THR A 85 24.513 1.632 -7.708 1.00 0.00 C ATOM 1160 O THR A 85 25.379 0.767 -7.575 1.00 0.00 O ATOM 1161 CB THR A 85 26.310 3.139 -8.561 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.835 3.232 -7.231 1.00 0.00 O ATOM 1163 CG2 THR A 85 26.632 4.412 -9.329 1.00 0.00 C ATOM 0 H THR A 85 24.425 4.333 -7.029 1.00 0.00 H new ATOM 0 HA THR A 85 24.417 2.769 -9.528 1.00 0.00 H new ATOM 0 HB THR A 85 26.772 2.297 -9.075 1.00 0.00 H new ATOM 0 HG1 THR A 85 27.802 3.384 -7.271 1.00 0.00 H new ATOM 0 HG21 THR A 85 27.712 4.561 -9.350 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.258 4.326 -10.349 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.158 5.262 -8.839 1.00 0.00 H new ATOM 1171 N THR A 86 23.300 1.529 -7.175 1.00 0.00 N ATOM 1172 CA THR A 86 22.909 0.368 -6.384 1.00 0.00 C ATOM 1173 C THR A 86 21.694 -0.325 -6.988 1.00 0.00 C ATOM 1174 O THR A 86 20.795 0.327 -7.518 1.00 0.00 O ATOM 1175 CB THR A 86 22.591 0.762 -4.929 1.00 0.00 C ATOM 1176 OG1 THR A 86 23.773 1.247 -4.283 1.00 0.00 O ATOM 1177 CG2 THR A 86 22.036 -0.425 -4.157 1.00 0.00 C ATOM 0 H THR A 86 22.571 2.235 -7.276 1.00 0.00 H new ATOM 0 HA THR A 86 23.755 -0.319 -6.390 1.00 0.00 H new ATOM 0 HB THR A 86 21.838 1.550 -4.945 1.00 0.00 H new ATOM 0 HG1 THR A 86 23.834 2.218 -4.399 1.00 0.00 H new ATOM 0 HG21 THR A 86 21.819 -0.123 -3.132 1.00 0.00 H new ATOM 0 HG22 THR A 86 21.120 -0.774 -4.634 1.00 0.00 H new ATOM 0 HG23 THR A 86 22.771 -1.230 -4.150 1.00 0.00 H new ATOM 1185 N ASN A 87 21.672 -1.651 -6.904 1.00 0.00 N ATOM 1186 CA ASN A 87 20.566 -2.433 -7.444 1.00 0.00 C ATOM 1187 C ASN A 87 19.797 -3.131 -6.326 1.00 0.00 C ATOM 1188 O ASN A 87 20.237 -4.152 -5.798 1.00 0.00 O ATOM 1189 CB ASN A 87 21.085 -3.468 -8.443 1.00 0.00 C ATOM 1190 CG ASN A 87 19.963 -4.167 -9.188 1.00 0.00 C ATOM 1191 OD1 ASN A 87 18.787 -3.863 -8.987 1.00 0.00 O ATOM 1192 ND2 ASN A 87 20.324 -5.108 -10.053 1.00 0.00 N ATOM 0 H ASN A 87 22.407 -2.207 -6.467 1.00 0.00 H new ATOM 0 HA ASN A 87 19.888 -1.751 -7.957 1.00 0.00 H new ATOM 0 HB2 ASN A 87 21.744 -2.978 -9.160 1.00 0.00 H new ATOM 0 HB3 ASN A 87 21.684 -4.210 -7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.614 -5.612 -10.584 1.00 0.00 H new ATOM 0 HD22 ASN A 87 21.311 -5.326 -10.187 1.00 0.00 H new ATOM 1199 N CYS A 88 18.645 -2.572 -5.970 1.00 0.00 N ATOM 1200 CA CYS A 88 17.813 -3.139 -4.915 1.00 0.00 C ATOM 1201 C CYS A 88 17.225 -4.479 -5.348 1.00 0.00 C ATOM 1202 O CYS A 88 16.693 -5.228 -4.529 1.00 0.00 O ATOM 1203 CB CYS A 88 16.687 -2.170 -4.548 1.00 0.00 C ATOM 1204 SG CYS A 88 17.117 -1.000 -3.220 1.00 0.00 S ATOM 0 H CYS A 88 18.266 -1.727 -6.397 1.00 0.00 H new ATOM 0 HA CYS A 88 18.441 -3.303 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 88 16.403 -1.606 -5.437 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.813 -2.745 -4.242 1.00 0.00 H new ATOM 1209 N ASN A 89 17.325 -4.774 -6.640 1.00 0.00 N ATOM 1210 CA ASN A 89 16.803 -6.023 -7.181 1.00 0.00 C ATOM 1211 C ASN A 89 17.709 -7.195 -6.816 1.00 0.00 C ATOM 1212 O ASN A 89 17.250 -8.329 -6.674 1.00 0.00 O ATOM 1213 CB ASN A 89 16.665 -5.926 -8.702 1.00 0.00 C ATOM 1214 CG ASN A 89 15.858 -4.716 -9.133 1.00 0.00 C ATOM 1215 OD1 ASN A 89 14.835 -4.391 -8.530 1.00 0.00 O ATOM 1216 ND2 ASN A 89 16.317 -4.042 -10.181 1.00 0.00 N ATOM 0 H ASN A 89 17.763 -4.165 -7.331 1.00 0.00 H new ATOM 0 HA ASN A 89 15.820 -6.196 -6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.657 -5.877 -9.152 1.00 0.00 H new ATOM 0 HB3 ASN A 89 16.188 -6.831 -9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.817 -3.219 -10.517 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.169 -4.348 -10.650 1.00 0.00 H new ATOM 1223 N THR A 90 18.999 -6.914 -6.665 1.00 0.00 N ATOM 1224 CA THR A 90 19.970 -7.944 -6.317 1.00 0.00 C ATOM 1225 C THR A 90 20.206 -7.990 -4.811 1.00 0.00 C ATOM 1226 O THR A 90 21.326 -8.224 -4.355 1.00 0.00 O ATOM 1227 CB THR A 90 21.316 -7.711 -7.029 1.00 0.00 C ATOM 1228 OG1 THR A 90 21.653 -6.320 -6.996 1.00 0.00 O ATOM 1229 CG2 THR A 90 21.254 -8.189 -8.472 1.00 0.00 C ATOM 0 H THR A 90 19.396 -5.981 -6.778 1.00 0.00 H new ATOM 0 HA THR A 90 19.553 -8.896 -6.647 1.00 0.00 H new ATOM 0 HB THR A 90 22.083 -8.283 -6.506 1.00 0.00 H new ATOM 0 HG1 THR A 90 22.431 -6.158 -7.569 1.00 0.00 H new ATOM 0 HG21 THR A 90 22.216 -8.014 -8.955 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.026 -9.255 -8.493 1.00 0.00 H new ATOM 0 HG23 THR A 90 20.476 -7.641 -9.004 1.00 0.00 H new ATOM 1237 N VAL A 91 19.145 -7.767 -4.043 1.00 0.00 N ATOM 1238 CA VAL A 91 19.237 -7.785 -2.588 1.00 0.00 C ATOM 1239 C VAL A 91 18.858 -9.153 -2.031 1.00 0.00 C ATOM 1240 O VAL A 91 17.740 -9.629 -2.230 1.00 0.00 O ATOM 1241 CB VAL A 91 18.328 -6.715 -1.955 1.00 0.00 C ATOM 1242 CG1 VAL A 91 18.399 -6.784 -0.437 1.00 0.00 C ATOM 1243 CG2 VAL A 91 18.711 -5.329 -2.453 1.00 0.00 C ATOM 0 H VAL A 91 18.211 -7.572 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 91 20.274 -7.567 -2.333 1.00 0.00 H new ATOM 0 HB VAL A 91 17.299 -6.913 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.750 -6.021 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 91 18.072 -7.768 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 91 19.425 -6.612 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.059 -4.585 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.746 -5.119 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.603 -5.289 -3.537 1.00 0.00 H new ATOM 1253 N LYS A 92 19.796 -9.781 -1.330 1.00 0.00 N ATOM 1254 CA LYS A 92 19.562 -11.094 -0.741 1.00 0.00 C ATOM 1255 C LYS A 92 19.326 -10.981 0.762 1.00 0.00 C ATOM 1256 O LYS A 92 20.220 -10.591 1.513 1.00 0.00 O ATOM 1257 CB LYS A 92 20.751 -12.018 -1.014 1.00 0.00 C ATOM 1258 CG LYS A 92 20.685 -12.710 -2.364 1.00 0.00 C ATOM 1259 CD LYS A 92 21.934 -13.535 -2.629 1.00 0.00 C ATOM 1260 CE LYS A 92 21.805 -14.939 -2.059 1.00 0.00 C ATOM 1261 NZ LYS A 92 21.642 -15.960 -3.130 1.00 0.00 N ATOM 0 H LYS A 92 20.726 -9.401 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 92 18.669 -11.517 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 92 21.672 -11.438 -0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 92 20.801 -12.773 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 92 19.807 -13.355 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 92 20.566 -11.965 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 92 22.113 -13.592 -3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 92 22.799 -13.040 -2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.689 -15.173 -1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 92 20.949 -14.980 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 21.557 -16.903 -2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 20.784 -15.752 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 22.470 -15.939 -3.759 1.00 0.00 H new ATOM 1275 N PHE A 93 18.118 -11.327 1.194 1.00 0.00 N ATOM 1276 CA PHE A 93 17.766 -11.266 2.608 1.00 0.00 C ATOM 1277 C PHE A 93 18.057 -9.882 3.181 1.00 0.00 C ATOM 1278 O PHE A 93 17.166 -9.217 3.708 1.00 0.00 O ATOM 1279 CB PHE A 93 18.536 -12.328 3.394 1.00 0.00 C ATOM 1280 CG PHE A 93 17.817 -13.644 3.487 1.00 0.00 C ATOM 1281 CD1 PHE A 93 16.809 -13.833 4.418 1.00 0.00 C ATOM 1282 CD2 PHE A 93 18.151 -14.691 2.643 1.00 0.00 C ATOM 1283 CE1 PHE A 93 16.145 -15.043 4.505 1.00 0.00 C ATOM 1284 CE2 PHE A 93 17.490 -15.903 2.726 1.00 0.00 C ATOM 1285 CZ PHE A 93 16.487 -16.079 3.659 1.00 0.00 C ATOM 0 H PHE A 93 17.367 -11.652 0.586 1.00 0.00 H new ATOM 0 HA PHE A 93 16.697 -11.461 2.699 1.00 0.00 H new ATOM 0 HB2 PHE A 93 19.506 -12.486 2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 93 18.728 -11.956 4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 93 16.539 -13.026 5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 93 18.936 -14.559 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 93 15.360 -15.177 5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 93 17.758 -16.711 2.062 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.971 -17.025 3.727 1.00 0.00 H new TER 1295 PHE A 93