USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 403 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 12 LYS NZ :NH3+ 179:sc= 0.673 (180deg=-0.0796) USER MOD Set 1.2: A 52 SER OG : rot 157:sc= 2.72 USER MOD Set 1.3: A 54 SER OG : rot -49:sc= 0.924 USER MOD Set 1.4: A 57 ASN : amide:sc= 1.88 K(o=6.2,f=-5.7!) USER MOD Set 2.1: A 39 SER OG : rot -0:sc= 1.8 USER MOD Set 2.2: A 56 THR OG1 : rot -104:sc= 0.942 USER MOD Set 3.1: A 27 MET CE :methyl -168:sc= 0 (180deg=-0.244) USER MOD Set 3.2: A 29 LYS NZ :NH3+ -147:sc= 0.898 (180deg=0.33) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -164:sc= 1.16 (180deg=0.953) USER MOD Single : A 4 TYR OH : rot -35:sc= 1.37 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 42:sc= 0.76 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.0538 K(o=0.054,f=-1.6) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.967 K(o=-0.97,f=-4.8!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= -0.0401 (180deg=-0.326) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.394 K(o=-0.39,f=-1.8) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.625 K(o=-0.63,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 10.00 N ATOM 2 CA LYS A 1 1.453 0.000 0.000 1.00 10.00 C ATOM 3 C LYS A 1 1.959 0.584 1.320 1.00 10.00 C ATOM 4 O LYS A 1 1.824 1.782 1.565 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.723 -1.238 1.00 10.00 C ATOM 6 CG LYS A 1 3.489 0.476 -1.410 1.00 10.00 C ATOM 7 CD LYS A 1 4.017 1.166 -2.669 1.00 10.00 C ATOM 8 CE LYS A 1 5.424 0.675 -3.015 1.00 10.00 C ATOM 9 NZ LYS A 1 6.022 1.518 -4.074 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 -0.397 -0.897 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.578 0.792 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.975 0.105 1.00 10.00 H new ATOM 0 HA LYS A 1 1.834 -1.019 -0.065 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.456 0.378 -2.124 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.801 1.793 -1.149 1.00 10.00 H new ATOM 0 HG2 LYS A 1 4.025 0.846 -0.536 1.00 10.00 H new ATOM 0 HG3 LYS A 1 3.680 -0.595 -1.471 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.344 0.971 -3.504 1.00 10.00 H new ATOM 0 HD3 LYS A 1 4.032 2.245 -2.517 1.00 10.00 H new ATOM 0 HE2 LYS A 1 6.053 0.699 -2.125 1.00 10.00 H new ATOM 0 HE3 LYS A 1 5.382 -0.362 -3.348 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 6.842 1.028 -4.486 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 5.316 1.696 -4.816 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 6.330 2.423 -3.665 1.00 10.00 H new ATOM 22 N ASP A 2 2.530 -0.289 2.137 1.00 10.00 N ATOM 23 CA ASP A 2 2.988 0.110 3.457 1.00 10.00 C ATOM 24 C ASP A 2 4.485 -0.179 3.582 1.00 10.00 C ATOM 25 O ASP A 2 5.011 -1.058 2.901 1.00 10.00 O ATOM 26 CB ASP A 2 2.262 -0.676 4.551 1.00 10.00 C ATOM 27 CG ASP A 2 0.738 -0.546 4.538 1.00 10.00 C ATOM 28 OD1 ASP A 2 0.172 0.255 3.779 1.00 10.00 O ATOM 29 OD2 ASP A 2 0.118 -1.322 5.362 1.00 10.00 O ATOM 0 H ASP A 2 2.686 -1.271 1.910 1.00 10.00 H new ATOM 0 HA ASP A 2 2.782 1.173 3.579 1.00 10.00 H new ATOM 0 HB2 ASP A 2 2.522 -1.730 4.454 1.00 10.00 H new ATOM 0 HB3 ASP A 2 2.632 -0.345 5.521 1.00 10.00 H new ATOM 35 N GLY A 3 5.130 0.579 4.457 1.00 10.00 N ATOM 36 CA GLY A 3 6.545 0.380 4.719 1.00 10.00 C ATOM 37 C GLY A 3 7.207 1.682 5.174 1.00 10.00 C ATOM 38 O GLY A 3 6.553 2.543 5.760 1.00 10.00 O ATOM 0 H GLY A 3 4.699 1.332 4.993 1.00 10.00 H new ATOM 0 HA2 GLY A 3 6.673 -0.384 5.486 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.037 0.013 3.818 1.00 10.00 H new ATOM 42 N TYR A 4 8.496 1.786 4.886 1.00 10.00 N ATOM 43 CA TYR A 4 9.239 2.994 5.201 1.00 10.00 C ATOM 44 C TYR A 4 9.577 3.777 3.930 1.00 10.00 C ATOM 45 O TYR A 4 10.449 3.374 3.162 1.00 10.00 O ATOM 46 CB TYR A 4 10.539 2.530 5.861 1.00 10.00 C ATOM 47 CG TYR A 4 10.345 1.454 6.930 1.00 10.00 C ATOM 48 CD1 TYR A 4 9.773 1.782 8.143 1.00 10.00 C ATOM 49 CD2 TYR A 4 10.741 0.156 6.683 1.00 10.00 C ATOM 50 CE1 TYR A 4 9.590 0.769 9.150 1.00 10.00 C ATOM 51 CE2 TYR A 4 10.557 -0.857 7.690 1.00 10.00 C ATOM 52 CZ TYR A 4 9.991 -0.501 8.874 1.00 10.00 C ATOM 53 OH TYR A 4 9.818 -1.458 9.825 1.00 10.00 O ATOM 0 H TYR A 4 9.045 1.053 4.438 1.00 10.00 H new ATOM 0 HA TYR A 4 8.653 3.648 5.847 1.00 10.00 H new ATOM 0 HB2 TYR A 4 11.208 2.146 5.091 1.00 10.00 H new ATOM 0 HB3 TYR A 4 11.033 3.391 6.312 1.00 10.00 H new ATOM 0 HD1 TYR A 4 9.463 2.798 8.337 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.189 -0.101 5.734 1.00 10.00 H new ATOM 0 HE1 TYR A 4 9.144 1.012 10.103 1.00 10.00 H new ATOM 0 HE2 TYR A 4 10.862 -1.877 7.509 1.00 10.00 H new ATOM 0 HH TYR A 4 9.951 -1.065 10.713 1.00 10.00 H new ATOM 63 N PRO A 5 8.850 4.910 3.743 1.00 10.00 N ATOM 64 CA PRO A 5 8.944 5.664 2.504 1.00 10.00 C ATOM 65 C PRO A 5 10.254 6.453 2.441 1.00 10.00 C ATOM 66 O PRO A 5 10.612 7.146 3.392 1.00 10.00 O ATOM 67 CB PRO A 5 7.713 6.555 2.491 1.00 10.00 C ATOM 68 CG PRO A 5 7.221 6.608 3.928 1.00 10.00 C ATOM 69 CD PRO A 5 7.921 5.502 4.701 1.00 10.00 C ATOM 0 HA PRO A 5 8.965 5.024 1.622 1.00 10.00 H new ATOM 0 HB2 PRO A 5 7.957 7.552 2.125 1.00 10.00 H new ATOM 0 HB3 PRO A 5 6.946 6.151 1.830 1.00 10.00 H new ATOM 0 HG2 PRO A 5 7.439 7.580 4.371 1.00 10.00 H new ATOM 0 HG3 PRO A 5 6.140 6.475 3.967 1.00 10.00 H new ATOM 0 HD2 PRO A 5 8.447 5.898 5.570 1.00 10.00 H new ATOM 0 HD3 PRO A 5 7.208 4.764 5.069 1.00 10.00 H new ATOM 77 N VAL A 6 10.933 6.320 1.311 1.00 10.00 N ATOM 78 CA VAL A 6 12.241 6.932 1.148 1.00 10.00 C ATOM 79 C VAL A 6 12.505 7.171 -0.340 1.00 10.00 C ATOM 80 O VAL A 6 12.426 6.244 -1.145 1.00 10.00 O ATOM 81 CB VAL A 6 13.311 6.065 1.814 1.00 10.00 C ATOM 82 CG1 VAL A 6 13.421 4.704 1.124 1.00 10.00 C ATOM 83 CG2 VAL A 6 14.663 6.781 1.833 1.00 10.00 C ATOM 0 H VAL A 6 10.602 5.798 0.500 1.00 10.00 H new ATOM 0 HA VAL A 6 12.274 7.902 1.644 1.00 10.00 H new ATOM 0 HB VAL A 6 13.008 5.893 2.847 1.00 10.00 H new ATOM 0 HG11 VAL A 6 14.189 4.107 1.617 1.00 10.00 H new ATOM 0 HG12 VAL A 6 12.464 4.186 1.186 1.00 10.00 H new ATOM 0 HG13 VAL A 6 13.689 4.847 0.077 1.00 10.00 H new ATOM 0 HG21 VAL A 6 15.406 6.143 2.312 1.00 10.00 H new ATOM 0 HG22 VAL A 6 14.975 6.997 0.811 1.00 10.00 H new ATOM 0 HG23 VAL A 6 14.573 7.714 2.390 1.00 10.00 H new ATOM 93 N ASP A 7 12.814 8.419 -0.660 1.00 10.00 N ATOM 94 CA ASP A 7 13.179 8.774 -2.021 1.00 10.00 C ATOM 95 C ASP A 7 13.668 10.223 -2.052 1.00 10.00 C ATOM 96 O ASP A 7 14.849 10.479 -2.283 1.00 10.00 O ATOM 97 CB ASP A 7 11.978 8.660 -2.962 1.00 10.00 C ATOM 98 CG ASP A 7 10.612 8.770 -2.281 1.00 10.00 C ATOM 99 OD1 ASP A 7 10.339 9.731 -1.547 1.00 10.00 O ATOM 100 OD2 ASP A 7 9.797 7.802 -2.534 1.00 10.00 O ATOM 0 H ASP A 7 12.819 9.197 -0.000 1.00 10.00 H new ATOM 0 HA ASP A 7 13.960 8.089 -2.350 1.00 10.00 H new ATOM 0 HB2 ASP A 7 12.054 9.440 -3.720 1.00 10.00 H new ATOM 0 HB3 ASP A 7 12.032 7.704 -3.482 1.00 10.00 H new ATOM 106 N SER A 8 12.735 11.134 -1.816 1.00 10.00 N ATOM 107 CA SER A 8 13.045 12.553 -1.863 1.00 10.00 C ATOM 108 C SER A 8 13.676 12.994 -0.541 1.00 10.00 C ATOM 109 O SER A 8 14.577 13.831 -0.529 1.00 10.00 O ATOM 110 CB SER A 8 11.792 13.381 -2.156 1.00 10.00 C ATOM 111 OG SER A 8 10.765 13.153 -1.195 1.00 10.00 O ATOM 0 H SER A 8 11.764 10.917 -1.592 1.00 10.00 H new ATOM 0 HA SER A 8 13.756 12.722 -2.672 1.00 10.00 H new ATOM 0 HB2 SER A 8 12.051 14.440 -2.166 1.00 10.00 H new ATOM 0 HB3 SER A 8 11.419 13.135 -3.150 1.00 10.00 H new ATOM 0 HG SER A 8 9.983 13.701 -1.416 1.00 10.00 H new ATOM 117 N LYS A 9 13.177 12.412 0.539 1.00 10.00 N ATOM 118 CA LYS A 9 13.596 12.820 1.870 1.00 10.00 C ATOM 119 C LYS A 9 14.941 12.170 2.199 1.00 10.00 C ATOM 120 O LYS A 9 15.636 12.604 3.116 1.00 10.00 O ATOM 121 CB LYS A 9 12.499 12.517 2.893 1.00 10.00 C ATOM 122 CG LYS A 9 12.355 11.009 3.111 1.00 10.00 C ATOM 123 CD LYS A 9 10.901 10.634 3.403 1.00 10.00 C ATOM 124 CE LYS A 9 10.101 10.493 2.107 1.00 10.00 C ATOM 125 NZ LYS A 9 8.658 10.350 2.402 1.00 10.00 N ATOM 0 H LYS A 9 12.487 11.661 0.520 1.00 10.00 H new ATOM 0 HA LYS A 9 13.746 13.899 1.908 1.00 10.00 H new ATOM 0 HB2 LYS A 9 12.734 13.004 3.839 1.00 10.00 H new ATOM 0 HB3 LYS A 9 11.551 12.931 2.549 1.00 10.00 H new ATOM 0 HG2 LYS A 9 12.701 10.475 2.226 1.00 10.00 H new ATOM 0 HG3 LYS A 9 12.989 10.696 3.941 1.00 10.00 H new ATOM 0 HD2 LYS A 9 10.868 9.697 3.959 1.00 10.00 H new ATOM 0 HD3 LYS A 9 10.445 11.396 4.035 1.00 10.00 H new ATOM 0 HE2 LYS A 9 10.264 11.366 1.475 1.00 10.00 H new ATOM 0 HE3 LYS A 9 10.452 9.625 1.549 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 8.129 10.255 1.511 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 8.505 9.504 2.987 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 8.324 11.190 2.915 1.00 10.00 H new ATOM 138 N GLY A 10 15.267 11.140 1.432 1.00 10.00 N ATOM 139 CA GLY A 10 16.626 10.628 1.405 1.00 10.00 C ATOM 140 C GLY A 10 16.804 9.490 2.412 1.00 10.00 C ATOM 141 O GLY A 10 17.196 8.384 2.042 1.00 10.00 O ATOM 0 H GLY A 10 14.613 10.646 0.825 1.00 10.00 H new ATOM 0 HA2 GLY A 10 16.864 10.272 0.403 1.00 10.00 H new ATOM 0 HA3 GLY A 10 17.326 11.432 1.632 1.00 10.00 H new ATOM 145 N CYS A 11 16.507 9.800 3.666 1.00 10.00 N ATOM 146 CA CYS A 11 16.711 8.844 4.741 1.00 10.00 C ATOM 147 C CYS A 11 15.414 8.747 5.548 1.00 10.00 C ATOM 148 O CYS A 11 14.519 9.576 5.394 1.00 10.00 O ATOM 149 CB CYS A 11 17.903 9.227 5.620 1.00 10.00 C ATOM 150 SG CYS A 11 19.542 8.880 4.885 1.00 10.00 S ATOM 0 H CYS A 11 16.127 10.699 3.961 1.00 10.00 H new ATOM 0 HA CYS A 11 16.952 7.867 4.322 1.00 10.00 H new ATOM 0 HB2 CYS A 11 17.841 10.291 5.848 1.00 10.00 H new ATOM 0 HB3 CYS A 11 17.825 8.693 6.567 1.00 10.00 H new ATOM 155 N LYS A 12 15.355 7.726 6.391 1.00 10.00 N ATOM 156 CA LYS A 12 14.100 7.343 7.015 1.00 10.00 C ATOM 157 C LYS A 12 13.634 8.465 7.944 1.00 10.00 C ATOM 158 O LYS A 12 14.447 9.240 8.445 1.00 10.00 O ATOM 159 CB LYS A 12 14.240 5.987 7.710 1.00 10.00 C ATOM 160 CG LYS A 12 14.683 4.907 6.722 1.00 10.00 C ATOM 161 CD LYS A 12 13.719 4.819 5.537 1.00 10.00 C ATOM 162 CE LYS A 12 13.807 3.451 4.858 1.00 10.00 C ATOM 163 NZ LYS A 12 15.179 3.206 4.361 1.00 10.00 N ATOM 0 H LYS A 12 16.156 7.153 6.656 1.00 10.00 H new ATOM 0 HA LYS A 12 13.324 7.211 6.261 1.00 10.00 H new ATOM 0 HB2 LYS A 12 14.965 6.063 8.520 1.00 10.00 H new ATOM 0 HB3 LYS A 12 13.288 5.705 8.160 1.00 10.00 H new ATOM 0 HG2 LYS A 12 15.688 5.128 6.362 1.00 10.00 H new ATOM 0 HG3 LYS A 12 14.731 3.943 7.229 1.00 10.00 H new ATOM 0 HD2 LYS A 12 12.699 4.994 5.880 1.00 10.00 H new ATOM 0 HD3 LYS A 12 13.952 5.602 4.816 1.00 10.00 H new ATOM 0 HE2 LYS A 12 13.525 2.670 5.563 1.00 10.00 H new ATOM 0 HE3 LYS A 12 13.100 3.403 4.030 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 15.225 2.266 3.918 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 15.429 3.932 3.660 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 15.849 3.247 5.156 1.00 10.00 H new ATOM 176 N LEU A 13 12.325 8.517 8.147 1.00 10.00 N ATOM 177 CA LEU A 13 11.755 9.429 9.123 1.00 10.00 C ATOM 178 C LEU A 13 11.783 8.772 10.505 1.00 10.00 C ATOM 179 O LEU A 13 11.037 7.829 10.764 1.00 10.00 O ATOM 180 CB LEU A 13 10.360 9.879 8.685 1.00 10.00 C ATOM 181 CG LEU A 13 10.272 10.551 7.313 1.00 10.00 C ATOM 182 CD1 LEU A 13 8.816 10.703 6.869 1.00 10.00 C ATOM 183 CD2 LEU A 13 11.015 11.889 7.310 1.00 10.00 C ATOM 0 H LEU A 13 11.644 7.942 7.652 1.00 10.00 H new ATOM 0 HA LEU A 13 12.352 10.338 9.189 1.00 10.00 H new ATOM 0 HB2 LEU A 13 9.703 9.009 8.684 1.00 10.00 H new ATOM 0 HB3 LEU A 13 9.972 10.571 9.432 1.00 10.00 H new ATOM 0 HG LEU A 13 10.765 9.907 6.585 1.00 10.00 H new ATOM 0 HD11 LEU A 13 8.782 11.183 5.891 1.00 10.00 H new ATOM 0 HD12 LEU A 13 8.350 9.720 6.807 1.00 10.00 H new ATOM 0 HD13 LEU A 13 8.277 11.315 7.593 1.00 10.00 H new ATOM 0 HD21 LEU A 13 10.937 12.346 6.324 1.00 10.00 H new ATOM 0 HD22 LEU A 13 10.573 12.552 8.053 1.00 10.00 H new ATOM 0 HD23 LEU A 13 12.065 11.723 7.551 1.00 10.00 H new ATOM 195 N SER A 14 12.652 9.297 11.357 1.00 10.00 N ATOM 196 CA SER A 14 12.827 8.739 12.687 1.00 10.00 C ATOM 197 C SER A 14 11.759 9.293 13.632 1.00 10.00 C ATOM 198 O SER A 14 11.932 10.365 14.210 1.00 10.00 O ATOM 199 CB SER A 14 14.225 9.040 13.231 1.00 10.00 C ATOM 200 OG SER A 14 14.478 10.440 13.308 1.00 10.00 O ATOM 0 H SER A 14 13.242 10.103 11.152 1.00 10.00 H new ATOM 0 HA SER A 14 12.718 7.657 12.621 1.00 10.00 H new ATOM 0 HB2 SER A 14 14.332 8.597 14.221 1.00 10.00 H new ATOM 0 HB3 SER A 14 14.972 8.571 12.590 1.00 10.00 H new ATOM 0 HG SER A 14 13.681 10.898 13.646 1.00 10.00 H new ATOM 206 N CYS A 15 10.678 8.537 13.760 1.00 10.00 N ATOM 207 CA CYS A 15 9.618 8.899 14.685 1.00 10.00 C ATOM 208 C CYS A 15 10.197 8.904 16.101 1.00 10.00 C ATOM 209 O CYS A 15 10.858 7.950 16.509 1.00 10.00 O ATOM 210 CB CYS A 15 8.416 7.960 14.563 1.00 10.00 C ATOM 211 SG CYS A 15 8.810 6.182 14.746 1.00 10.00 S ATOM 0 H CYS A 15 10.514 7.676 13.239 1.00 10.00 H new ATOM 0 HA CYS A 15 9.245 9.894 14.443 1.00 10.00 H new ATOM 0 HB2 CYS A 15 7.680 8.234 15.319 1.00 10.00 H new ATOM 0 HB3 CYS A 15 7.948 8.116 13.591 1.00 10.00 H new ATOM 216 N VAL A 16 9.927 9.989 16.812 1.00 10.00 N ATOM 217 CA VAL A 16 10.556 10.213 18.102 1.00 10.00 C ATOM 218 C VAL A 16 9.596 9.785 19.214 1.00 10.00 C ATOM 219 O VAL A 16 9.971 9.755 20.385 1.00 10.00 O ATOM 220 CB VAL A 16 10.997 11.673 18.223 1.00 10.00 C ATOM 221 CG1 VAL A 16 9.816 12.575 18.589 1.00 10.00 C ATOM 222 CG2 VAL A 16 12.135 11.821 19.235 1.00 10.00 C ATOM 0 H VAL A 16 9.281 10.722 16.519 1.00 10.00 H new ATOM 0 HA VAL A 16 11.456 9.606 18.198 1.00 10.00 H new ATOM 0 HB VAL A 16 11.372 11.991 17.250 1.00 10.00 H new ATOM 0 HG11 VAL A 16 10.157 13.607 18.669 1.00 10.00 H new ATOM 0 HG12 VAL A 16 9.051 12.504 17.816 1.00 10.00 H new ATOM 0 HG13 VAL A 16 9.397 12.257 19.544 1.00 10.00 H new ATOM 0 HG21 VAL A 16 12.429 12.869 19.301 1.00 10.00 H new ATOM 0 HG22 VAL A 16 11.799 11.476 20.213 1.00 10.00 H new ATOM 0 HG23 VAL A 16 12.988 11.224 18.913 1.00 10.00 H new ATOM 232 N ALA A 17 8.376 9.465 18.808 1.00 10.00 N ATOM 233 CA ALA A 17 7.339 9.111 19.762 1.00 10.00 C ATOM 234 C ALA A 17 6.276 8.263 19.062 1.00 10.00 C ATOM 235 O ALA A 17 6.202 8.244 17.834 1.00 10.00 O ATOM 236 CB ALA A 17 6.756 10.384 20.379 1.00 10.00 C ATOM 0 H ALA A 17 8.083 9.444 17.831 1.00 10.00 H new ATOM 0 HA ALA A 17 7.753 8.515 20.575 1.00 10.00 H new ATOM 0 HB1 ALA A 17 5.978 10.118 21.095 1.00 10.00 H new ATOM 0 HB2 ALA A 17 7.546 10.935 20.889 1.00 10.00 H new ATOM 0 HB3 ALA A 17 6.329 11.007 19.593 1.00 10.00 H new ATOM 242 N ASN A 18 5.478 7.583 19.872 1.00 10.00 N ATOM 243 CA ASN A 18 4.618 6.528 19.364 1.00 10.00 C ATOM 244 C ASN A 18 3.646 7.118 18.340 1.00 10.00 C ATOM 245 O ASN A 18 3.392 6.513 17.299 1.00 10.00 O ATOM 246 CB ASN A 18 3.794 5.899 20.489 1.00 10.00 C ATOM 247 CG ASN A 18 4.701 5.222 21.519 1.00 10.00 C ATOM 248 OD1 ASN A 18 5.189 4.121 21.326 1.00 10.00 O ATOM 249 ND2 ASN A 18 4.897 5.940 22.622 1.00 10.00 N ATOM 0 H ASN A 18 5.409 7.742 20.877 1.00 10.00 H new ATOM 0 HA ASN A 18 5.252 5.765 18.911 1.00 10.00 H new ATOM 0 HB2 ASN A 18 3.193 6.666 20.977 1.00 10.00 H new ATOM 0 HB3 ASN A 18 3.101 5.168 20.072 1.00 10.00 H new ATOM 0 HD21 ASN A 18 5.486 5.575 23.370 1.00 10.00 H new ATOM 0 HD22 ASN A 18 4.458 6.856 22.719 1.00 10.00 H new ATOM 256 N ASN A 19 3.128 8.292 18.671 1.00 10.00 N ATOM 257 CA ASN A 19 2.085 8.903 17.864 1.00 10.00 C ATOM 258 C ASN A 19 2.710 9.511 16.607 1.00 10.00 C ATOM 259 O ASN A 19 2.048 9.632 15.577 1.00 10.00 O ATOM 260 CB ASN A 19 1.382 10.025 18.632 1.00 10.00 C ATOM 261 CG ASN A 19 2.381 11.094 19.078 1.00 10.00 C ATOM 262 OD1 ASN A 19 3.143 10.916 20.014 1.00 10.00 O ATOM 263 ND2 ASN A 19 2.335 12.211 18.358 1.00 10.00 N ATOM 0 H ASN A 19 3.411 8.836 19.486 1.00 10.00 H new ATOM 0 HA ASN A 19 1.360 8.131 17.608 1.00 10.00 H new ATOM 0 HB2 ASN A 19 0.617 10.478 18.002 1.00 10.00 H new ATOM 0 HB3 ASN A 19 0.874 9.611 19.503 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.962 12.985 18.577 1.00 10.00 H new ATOM 0 HD22 ASN A 19 1.672 12.294 17.587 1.00 10.00 H new ATOM 270 N TYR A 20 3.977 9.877 16.732 1.00 10.00 N ATOM 271 CA TYR A 20 4.553 10.889 15.862 1.00 10.00 C ATOM 272 C TYR A 20 4.481 10.457 14.396 1.00 10.00 C ATOM 273 O TYR A 20 4.276 11.286 13.511 1.00 10.00 O ATOM 274 CB TYR A 20 6.022 11.012 16.273 1.00 10.00 C ATOM 275 CG TYR A 20 6.737 12.222 15.671 1.00 10.00 C ATOM 276 CD1 TYR A 20 7.359 12.117 14.443 1.00 10.00 C ATOM 277 CD2 TYR A 20 6.761 13.421 16.355 1.00 10.00 C ATOM 278 CE1 TYR A 20 8.033 13.256 13.877 1.00 10.00 C ATOM 279 CE2 TYR A 20 7.434 14.561 15.789 1.00 10.00 C ATOM 280 CZ TYR A 20 8.037 14.422 14.577 1.00 10.00 C ATOM 281 OH TYR A 20 8.673 15.498 14.042 1.00 10.00 O ATOM 0 H TYR A 20 4.621 9.491 17.422 1.00 10.00 H new ATOM 0 HA TYR A 20 4.012 11.830 15.957 1.00 10.00 H new ATOM 0 HB2 TYR A 20 6.081 11.072 17.360 1.00 10.00 H new ATOM 0 HB3 TYR A 20 6.549 10.106 15.975 1.00 10.00 H new ATOM 0 HD1 TYR A 20 7.340 11.180 13.907 1.00 10.00 H new ATOM 0 HD2 TYR A 20 6.274 13.504 17.316 1.00 10.00 H new ATOM 0 HE1 TYR A 20 8.525 13.186 12.918 1.00 10.00 H new ATOM 0 HE2 TYR A 20 7.460 15.504 16.314 1.00 10.00 H new ATOM 0 HH TYR A 20 8.593 16.261 14.651 1.00 10.00 H new ATOM 291 N CYS A 21 4.652 9.161 14.185 1.00 10.00 N ATOM 292 CA CYS A 21 4.694 8.621 12.836 1.00 10.00 C ATOM 293 C CYS A 21 3.353 8.913 12.160 1.00 10.00 C ATOM 294 O CYS A 21 3.313 9.303 10.994 1.00 10.00 O ATOM 295 CB CYS A 21 5.021 7.126 12.835 1.00 10.00 C ATOM 296 SG CYS A 21 5.026 6.344 11.181 1.00 10.00 S ATOM 0 H CYS A 21 4.763 8.468 14.925 1.00 10.00 H new ATOM 0 HA CYS A 21 5.495 9.101 12.274 1.00 10.00 H new ATOM 0 HB2 CYS A 21 6.000 6.982 13.293 1.00 10.00 H new ATOM 0 HB3 CYS A 21 4.296 6.609 13.464 1.00 10.00 H new ATOM 301 N ASP A 22 2.287 8.712 12.921 1.00 10.00 N ATOM 302 CA ASP A 22 0.953 8.676 12.346 1.00 10.00 C ATOM 303 C ASP A 22 0.648 10.025 11.691 1.00 10.00 C ATOM 304 O ASP A 22 0.266 10.080 10.524 1.00 10.00 O ATOM 305 CB ASP A 22 -0.105 8.424 13.422 1.00 10.00 C ATOM 306 CG ASP A 22 -1.525 8.210 12.896 1.00 10.00 C ATOM 307 OD1 ASP A 22 -2.394 9.085 13.030 1.00 10.00 O ATOM 308 OD2 ASP A 22 -1.728 7.074 12.320 1.00 10.00 O ATOM 0 H ASP A 22 2.320 8.572 13.931 1.00 10.00 H new ATOM 0 HA ASP A 22 0.923 7.868 11.615 1.00 10.00 H new ATOM 0 HB2 ASP A 22 0.188 7.547 14.000 1.00 10.00 H new ATOM 0 HB3 ASP A 22 -0.112 9.271 14.109 1.00 10.00 H new ATOM 314 N ASN A 23 0.829 11.080 12.472 1.00 10.00 N ATOM 315 CA ASN A 23 0.546 12.423 11.994 1.00 10.00 C ATOM 316 C ASN A 23 1.567 12.803 10.920 1.00 10.00 C ATOM 317 O ASN A 23 1.245 13.531 9.982 1.00 10.00 O ATOM 318 CB ASN A 23 0.650 13.445 13.128 1.00 10.00 C ATOM 319 CG ASN A 23 1.929 13.233 13.941 1.00 10.00 C ATOM 320 OD1 ASN A 23 1.962 12.499 14.915 1.00 10.00 O ATOM 321 ND2 ASN A 23 2.977 13.915 13.489 1.00 10.00 N ATOM 0 H ASN A 23 1.168 11.032 13.433 1.00 10.00 H new ATOM 0 HA ASN A 23 -0.468 12.431 11.593 1.00 10.00 H new ATOM 0 HB2 ASN A 23 0.640 14.454 12.715 1.00 10.00 H new ATOM 0 HB3 ASN A 23 -0.219 13.359 13.781 1.00 10.00 H new ATOM 0 HD21 ASN A 23 3.877 13.841 13.964 1.00 10.00 H new ATOM 0 HD22 ASN A 23 2.881 14.512 12.668 1.00 10.00 H new ATOM 328 N GLN A 24 2.778 12.293 11.093 1.00 10.00 N ATOM 329 CA GLN A 24 3.859 12.606 10.174 1.00 10.00 C ATOM 330 C GLN A 24 3.572 12.012 8.794 1.00 10.00 C ATOM 331 O GLN A 24 3.891 12.621 7.774 1.00 10.00 O ATOM 332 CB GLN A 24 5.201 12.108 10.717 1.00 10.00 C ATOM 333 CG GLN A 24 6.346 12.478 9.772 1.00 10.00 C ATOM 334 CD GLN A 24 7.702 12.150 10.400 1.00 10.00 C ATOM 335 OE1 GLN A 24 7.859 11.188 11.134 1.00 10.00 O ATOM 336 NE2 GLN A 24 8.670 13.000 10.071 1.00 10.00 N ATOM 0 H GLN A 24 3.034 11.666 11.855 1.00 10.00 H new ATOM 0 HA GLN A 24 3.923 13.690 10.075 1.00 10.00 H new ATOM 0 HB2 GLN A 24 5.382 12.541 11.701 1.00 10.00 H new ATOM 0 HB3 GLN A 24 5.166 11.026 10.846 1.00 10.00 H new ATOM 0 HG2 GLN A 24 6.236 11.937 8.832 1.00 10.00 H new ATOM 0 HG3 GLN A 24 6.298 13.541 9.535 1.00 10.00 H new ATOM 0 HE21 GLN A 24 8.470 13.785 9.451 1.00 10.00 H new ATOM 0 HE22 GLN A 24 9.612 12.867 10.438 1.00 10.00 H new ATOM 345 N CYS A 25 2.974 10.830 8.806 1.00 10.00 N ATOM 346 CA CYS A 25 2.724 10.105 7.572 1.00 10.00 C ATOM 347 C CYS A 25 1.499 10.721 6.893 1.00 10.00 C ATOM 348 O CYS A 25 1.529 11.014 5.699 1.00 10.00 O ATOM 349 CB CYS A 25 2.544 8.606 7.823 1.00 10.00 C ATOM 350 SG CYS A 25 4.034 7.749 8.451 1.00 10.00 S ATOM 0 H CYS A 25 2.655 10.356 9.651 1.00 10.00 H new ATOM 0 HA CYS A 25 3.587 10.195 6.913 1.00 10.00 H new ATOM 0 HB2 CYS A 25 1.733 8.466 8.538 1.00 10.00 H new ATOM 0 HB3 CYS A 25 2.234 8.131 6.892 1.00 10.00 H new ATOM 355 N LYS A 26 0.451 10.898 7.684 1.00 10.00 N ATOM 356 CA LYS A 26 -0.835 11.306 7.142 1.00 10.00 C ATOM 357 C LYS A 26 -0.794 12.799 6.814 1.00 10.00 C ATOM 358 O LYS A 26 -1.717 13.328 6.195 1.00 10.00 O ATOM 359 CB LYS A 26 -1.966 10.916 8.095 1.00 10.00 C ATOM 360 CG LYS A 26 -2.151 11.972 9.187 1.00 10.00 C ATOM 361 CD LYS A 26 -2.845 11.377 10.414 1.00 10.00 C ATOM 362 CE LYS A 26 -4.223 10.822 10.049 1.00 10.00 C ATOM 363 NZ LYS A 26 -5.091 11.898 9.520 1.00 10.00 N ATOM 0 H LYS A 26 0.466 10.767 8.695 1.00 10.00 H new ATOM 0 HA LYS A 26 -1.040 10.780 6.210 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -2.894 10.800 7.535 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -1.746 9.951 8.551 1.00 10.00 H new ATOM 0 HG2 LYS A 26 -1.181 12.377 9.474 1.00 10.00 H new ATOM 0 HG3 LYS A 26 -2.740 12.802 8.799 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -2.229 10.583 10.835 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -2.949 12.142 11.184 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -4.118 10.032 9.305 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -4.685 10.373 10.928 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -6.078 11.570 9.500 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -5.017 12.736 10.131 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -4.789 12.145 8.556 1.00 10.00 H new ATOM 376 N MET A 27 0.285 13.438 7.242 1.00 10.00 N ATOM 377 CA MET A 27 0.580 14.789 6.798 1.00 10.00 C ATOM 378 C MET A 27 0.343 14.936 5.293 1.00 10.00 C ATOM 379 O MET A 27 -0.267 15.907 4.850 1.00 10.00 O ATOM 380 CB MET A 27 2.038 15.125 7.120 1.00 10.00 C ATOM 381 CG MET A 27 2.312 16.618 6.928 1.00 10.00 C ATOM 382 SD MET A 27 4.059 16.893 6.692 1.00 10.00 S ATOM 383 CE MET A 27 4.674 16.364 8.283 1.00 10.00 C ATOM 0 H MET A 27 0.966 13.045 7.892 1.00 10.00 H new ATOM 0 HA MET A 27 -0.085 15.476 7.321 1.00 10.00 H new ATOM 0 HB2 MET A 27 2.262 14.840 8.148 1.00 10.00 H new ATOM 0 HB3 MET A 27 2.699 14.545 6.477 1.00 10.00 H new ATOM 0 HG2 MET A 27 1.757 16.990 6.067 1.00 10.00 H new ATOM 0 HG3 MET A 27 1.962 17.175 7.797 1.00 10.00 H new ATOM 0 HE1 MET A 27 5.716 16.665 8.389 1.00 10.00 H new ATOM 0 HE2 MET A 27 4.081 16.824 9.074 1.00 10.00 H new ATOM 0 HE3 MET A 27 4.600 15.279 8.359 1.00 10.00 H new ATOM 393 N LYS A 28 0.838 13.957 4.550 1.00 10.00 N ATOM 394 CA LYS A 28 1.036 14.129 3.121 1.00 10.00 C ATOM 395 C LYS A 28 1.334 12.770 2.485 1.00 10.00 C ATOM 396 O LYS A 28 0.693 12.382 1.510 1.00 10.00 O ATOM 397 CB LYS A 28 2.111 15.183 2.852 1.00 10.00 C ATOM 398 CG LYS A 28 2.317 15.385 1.350 1.00 10.00 C ATOM 399 CD LYS A 28 3.623 14.737 0.884 1.00 10.00 C ATOM 400 CE LYS A 28 3.829 14.938 -0.619 1.00 10.00 C ATOM 401 NZ LYS A 28 5.129 14.372 -1.044 1.00 10.00 N ATOM 0 H LYS A 28 1.108 13.042 4.911 1.00 10.00 H new ATOM 0 HA LYS A 28 0.127 14.508 2.653 1.00 10.00 H new ATOM 0 HB2 LYS A 28 1.823 16.128 3.313 1.00 10.00 H new ATOM 0 HB3 LYS A 28 3.050 14.876 3.313 1.00 10.00 H new ATOM 0 HG2 LYS A 28 1.478 14.955 0.803 1.00 10.00 H new ATOM 0 HG3 LYS A 28 2.334 16.451 1.122 1.00 10.00 H new ATOM 0 HD2 LYS A 28 4.462 15.168 1.430 1.00 10.00 H new ATOM 0 HD3 LYS A 28 3.607 13.671 1.113 1.00 10.00 H new ATOM 0 HE2 LYS A 28 3.020 14.459 -1.170 1.00 10.00 H new ATOM 0 HE3 LYS A 28 3.793 16.001 -0.858 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 5.253 14.517 -2.066 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 5.899 14.847 -0.531 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 5.150 13.354 -0.834 1.00 10.00 H new ATOM 414 N LYS A 29 2.309 12.083 3.063 1.00 10.00 N ATOM 415 CA LYS A 29 2.881 10.911 2.422 1.00 10.00 C ATOM 416 C LYS A 29 1.781 9.873 2.192 1.00 10.00 C ATOM 417 O LYS A 29 1.606 9.387 1.076 1.00 10.00 O ATOM 418 CB LYS A 29 4.066 10.382 3.232 1.00 10.00 C ATOM 419 CG LYS A 29 5.141 11.458 3.399 1.00 10.00 C ATOM 420 CD LYS A 29 5.350 11.799 4.876 1.00 10.00 C ATOM 421 CE LYS A 29 6.203 13.060 5.032 1.00 10.00 C ATOM 422 NZ LYS A 29 6.353 13.411 6.462 1.00 10.00 N ATOM 0 H LYS A 29 2.717 12.316 3.968 1.00 10.00 H new ATOM 0 HA LYS A 29 3.284 11.171 1.443 1.00 10.00 H new ATOM 0 HB2 LYS A 29 3.722 10.051 4.212 1.00 10.00 H new ATOM 0 HB3 LYS A 29 4.492 9.512 2.733 1.00 10.00 H new ATOM 0 HG2 LYS A 29 6.079 11.110 2.966 1.00 10.00 H new ATOM 0 HG3 LYS A 29 4.851 12.355 2.852 1.00 10.00 H new ATOM 0 HD2 LYS A 29 4.384 11.947 5.359 1.00 10.00 H new ATOM 0 HD3 LYS A 29 5.834 10.963 5.381 1.00 10.00 H new ATOM 0 HE2 LYS A 29 7.185 12.900 4.586 1.00 10.00 H new ATOM 0 HE3 LYS A 29 5.740 13.888 4.495 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 6.406 14.445 6.562 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 5.535 13.053 6.995 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 7.224 12.982 6.835 1.00 10.00 H new ATOM 435 N ALA A 30 1.068 9.565 3.265 1.00 10.00 N ATOM 436 CA ALA A 30 0.320 8.322 3.335 1.00 10.00 C ATOM 437 C ALA A 30 -1.085 8.606 3.870 1.00 10.00 C ATOM 438 O ALA A 30 -1.439 9.759 4.111 1.00 10.00 O ATOM 439 CB ALA A 30 1.081 7.315 4.201 1.00 10.00 C ATOM 0 H ALA A 30 0.993 10.155 4.093 1.00 10.00 H new ATOM 0 HA ALA A 30 0.213 7.883 2.343 1.00 10.00 H new ATOM 0 HB1 ALA A 30 0.519 6.382 4.253 1.00 10.00 H new ATOM 0 HB2 ALA A 30 2.060 7.125 3.762 1.00 10.00 H new ATOM 0 HB3 ALA A 30 1.206 7.720 5.205 1.00 10.00 H new ATOM 445 N SER A 31 -1.847 7.536 4.041 1.00 10.00 N ATOM 446 CA SER A 31 -3.146 7.636 4.684 1.00 10.00 C ATOM 447 C SER A 31 -2.981 7.592 6.204 1.00 10.00 C ATOM 448 O SER A 31 -3.711 8.265 6.931 1.00 10.00 O ATOM 449 CB SER A 31 -4.079 6.517 4.218 1.00 10.00 C ATOM 450 OG SER A 31 -5.365 6.607 4.825 1.00 10.00 O ATOM 0 H SER A 31 -1.589 6.594 3.745 1.00 10.00 H new ATOM 0 HA SER A 31 -3.596 8.588 4.401 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.186 6.562 3.134 1.00 10.00 H new ATOM 0 HB3 SER A 31 -3.633 5.551 4.455 1.00 10.00 H new ATOM 0 HG SER A 31 -5.932 5.876 4.501 1.00 10.00 H new ATOM 456 N GLY A 32 -2.019 6.793 6.641 1.00 10.00 N ATOM 457 CA GLY A 32 -1.774 6.624 8.063 1.00 10.00 C ATOM 458 C GLY A 32 -0.346 6.136 8.319 1.00 10.00 C ATOM 459 O GLY A 32 0.510 6.222 7.440 1.00 10.00 O ATOM 0 H GLY A 32 -1.400 6.255 6.035 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -1.937 7.570 8.579 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -2.486 5.909 8.476 1.00 10.00 H new ATOM 463 N GLY A 33 -0.135 5.634 9.527 1.00 10.00 N ATOM 464 CA GLY A 33 1.160 5.084 9.892 1.00 10.00 C ATOM 465 C GLY A 33 1.227 4.788 11.392 1.00 10.00 C ATOM 466 O GLY A 33 0.362 5.221 12.152 1.00 10.00 O ATOM 0 H GLY A 33 -0.838 5.597 10.265 1.00 10.00 H new ATOM 0 HA2 GLY A 33 1.342 4.169 9.329 1.00 10.00 H new ATOM 0 HA3 GLY A 33 1.947 5.787 9.621 1.00 10.00 H new ATOM 470 N HIS A 34 2.262 4.054 11.772 1.00 10.00 N ATOM 471 CA HIS A 34 2.555 3.847 13.180 1.00 10.00 C ATOM 472 C HIS A 34 4.070 3.804 13.388 1.00 10.00 C ATOM 473 O HIS A 34 4.817 3.463 12.472 1.00 10.00 O ATOM 474 CB HIS A 34 1.849 2.594 13.704 1.00 10.00 C ATOM 475 CG HIS A 34 2.286 1.316 13.028 1.00 10.00 C ATOM 476 ND1 HIS A 34 3.551 0.778 13.188 1.00 10.00 N ATOM 477 CD2 HIS A 34 1.613 0.476 12.191 1.00 10.00 C ATOM 478 CE1 HIS A 34 3.625 -0.336 12.474 1.00 10.00 C ATOM 479 NE2 HIS A 34 2.423 -0.521 11.856 1.00 10.00 N ATOM 0 H HIS A 34 2.908 3.595 11.130 1.00 10.00 H new ATOM 0 HA HIS A 34 2.167 4.683 13.762 1.00 10.00 H new ATOM 0 HB2 HIS A 34 2.032 2.507 14.775 1.00 10.00 H new ATOM 0 HB3 HIS A 34 0.774 2.713 13.573 1.00 10.00 H new ATOM 0 HD2 HIS A 34 0.594 0.601 11.857 1.00 10.00 H new ATOM 0 HE1 HIS A 34 4.486 -0.984 12.395 1.00 10.00 H new ATOM 0 HE2 HIS A 34 2.186 -1.297 11.238 1.00 10.00 H new ATOM 487 N CYS A 35 4.479 4.155 14.598 1.00 10.00 N ATOM 488 CA CYS A 35 5.893 4.311 14.894 1.00 10.00 C ATOM 489 C CYS A 35 6.460 2.938 15.264 1.00 10.00 C ATOM 490 O CYS A 35 6.445 2.551 16.432 1.00 10.00 O ATOM 491 CB CYS A 35 6.130 5.343 15.999 1.00 10.00 C ATOM 492 SG CYS A 35 7.887 5.603 16.442 1.00 10.00 S ATOM 0 H CYS A 35 3.856 4.336 15.385 1.00 10.00 H new ATOM 0 HA CYS A 35 6.411 4.693 14.014 1.00 10.00 H new ATOM 0 HB2 CYS A 35 5.704 6.296 15.684 1.00 10.00 H new ATOM 0 HB3 CYS A 35 5.587 5.031 16.891 1.00 10.00 H new ATOM 497 N TYR A 36 6.946 2.241 14.248 1.00 10.00 N ATOM 498 CA TYR A 36 7.811 1.095 14.473 1.00 10.00 C ATOM 499 C TYR A 36 9.209 1.540 14.908 1.00 10.00 C ATOM 500 O TYR A 36 9.664 2.620 14.537 1.00 10.00 O ATOM 501 CB TYR A 36 7.914 0.374 13.128 1.00 10.00 C ATOM 502 CG TYR A 36 8.639 -0.972 13.196 1.00 10.00 C ATOM 503 CD1 TYR A 36 8.025 -2.056 13.790 1.00 10.00 C ATOM 504 CD2 TYR A 36 9.906 -1.101 12.665 1.00 10.00 C ATOM 505 CE1 TYR A 36 8.707 -3.323 13.855 1.00 10.00 C ATOM 506 CE2 TYR A 36 10.588 -2.367 12.730 1.00 10.00 C ATOM 507 CZ TYR A 36 9.955 -3.416 13.322 1.00 10.00 C ATOM 508 OH TYR A 36 10.600 -4.612 13.383 1.00 10.00 O ATOM 0 H TYR A 36 6.758 2.447 13.267 1.00 10.00 H new ATOM 0 HA TYR A 36 7.407 0.458 15.259 1.00 10.00 H new ATOM 0 HB2 TYR A 36 6.910 0.214 12.735 1.00 10.00 H new ATOM 0 HB3 TYR A 36 8.434 1.020 12.420 1.00 10.00 H new ATOM 0 HD1 TYR A 36 7.034 -1.954 14.206 1.00 10.00 H new ATOM 0 HD2 TYR A 36 10.386 -0.252 12.201 1.00 10.00 H new ATOM 0 HE1 TYR A 36 8.238 -4.180 14.316 1.00 10.00 H new ATOM 0 HE2 TYR A 36 11.580 -2.482 12.318 1.00 10.00 H new ATOM 0 HH TYR A 36 11.481 -4.530 12.962 1.00 10.00 H new ATOM 518 N ALA A 37 9.851 0.683 15.688 1.00 10.00 N ATOM 519 CA ALA A 37 10.974 1.112 16.506 1.00 10.00 C ATOM 520 C ALA A 37 12.069 1.680 15.602 1.00 10.00 C ATOM 521 O ALA A 37 12.713 2.670 15.947 1.00 10.00 O ATOM 522 CB ALA A 37 11.467 -0.063 17.353 1.00 10.00 C ATOM 0 H ALA A 37 9.616 -0.306 15.771 1.00 10.00 H new ATOM 0 HA ALA A 37 10.670 1.903 17.192 1.00 10.00 H new ATOM 0 HB1 ALA A 37 12.309 0.258 17.966 1.00 10.00 H new ATOM 0 HB2 ALA A 37 10.660 -0.410 17.998 1.00 10.00 H new ATOM 0 HB3 ALA A 37 11.784 -0.875 16.699 1.00 10.00 H new ATOM 528 N MET A 38 12.248 1.029 14.462 1.00 10.00 N ATOM 529 CA MET A 38 13.381 1.324 13.601 1.00 10.00 C ATOM 530 C MET A 38 13.145 2.608 12.804 1.00 10.00 C ATOM 531 O MET A 38 14.062 3.405 12.617 1.00 10.00 O ATOM 532 CB MET A 38 13.607 0.158 12.637 1.00 10.00 C ATOM 533 CG MET A 38 15.066 0.099 12.180 1.00 10.00 C ATOM 534 SD MET A 38 16.061 -0.719 13.416 1.00 10.00 S ATOM 535 CE MET A 38 17.652 -0.685 12.606 1.00 10.00 C ATOM 0 H MET A 38 11.627 0.298 14.114 1.00 10.00 H new ATOM 0 HA MET A 38 14.262 1.465 14.227 1.00 10.00 H new ATOM 0 HB2 MET A 38 13.337 -0.779 13.124 1.00 10.00 H new ATOM 0 HB3 MET A 38 12.955 0.266 11.770 1.00 10.00 H new ATOM 0 HG2 MET A 38 15.137 -0.435 11.232 1.00 10.00 H new ATOM 0 HG3 MET A 38 15.443 1.107 12.007 1.00 10.00 H new ATOM 0 HE1 MET A 38 18.396 -1.160 13.246 1.00 10.00 H new ATOM 0 HE2 MET A 38 17.590 -1.223 11.660 1.00 10.00 H new ATOM 0 HE3 MET A 38 17.942 0.349 12.417 1.00 10.00 H new ATOM 545 N SER A 39 11.909 2.768 12.354 1.00 10.00 N ATOM 546 CA SER A 39 11.571 3.869 11.468 1.00 10.00 C ATOM 547 C SER A 39 10.052 4.041 11.402 1.00 10.00 C ATOM 548 O SER A 39 9.305 3.119 11.726 1.00 10.00 O ATOM 549 CB SER A 39 12.141 3.642 10.066 1.00 10.00 C ATOM 550 OG SER A 39 13.564 3.714 10.050 1.00 10.00 O ATOM 0 H SER A 39 11.129 2.153 12.587 1.00 10.00 H new ATOM 0 HA SER A 39 12.016 4.780 11.869 1.00 10.00 H new ATOM 0 HB2 SER A 39 11.823 2.666 9.699 1.00 10.00 H new ATOM 0 HB3 SER A 39 11.733 4.387 9.384 1.00 10.00 H new ATOM 0 HG SER A 39 13.892 3.903 10.954 1.00 10.00 H new ATOM 556 N CYS A 40 9.641 5.228 10.981 1.00 10.00 N ATOM 557 CA CYS A 40 8.226 5.516 10.822 1.00 10.00 C ATOM 558 C CYS A 40 7.668 4.601 9.731 1.00 10.00 C ATOM 559 O CYS A 40 7.929 4.809 8.547 1.00 10.00 O ATOM 560 CB CYS A 40 7.981 6.994 10.508 1.00 10.00 C ATOM 561 SG CYS A 40 6.263 7.403 10.031 1.00 10.00 S ATOM 0 H CYS A 40 10.263 6.001 10.745 1.00 10.00 H new ATOM 0 HA CYS A 40 7.706 5.320 11.760 1.00 10.00 H new ATOM 0 HB2 CYS A 40 8.251 7.586 11.382 1.00 10.00 H new ATOM 0 HB3 CYS A 40 8.649 7.295 9.701 1.00 10.00 H new ATOM 566 N TYR A 41 6.910 3.606 10.168 1.00 10.00 N ATOM 567 CA TYR A 41 6.214 2.731 9.240 1.00 10.00 C ATOM 568 C TYR A 41 4.889 3.349 8.792 1.00 10.00 C ATOM 569 O TYR A 41 3.914 3.348 9.543 1.00 10.00 O ATOM 570 CB TYR A 41 5.927 1.441 10.011 1.00 10.00 C ATOM 571 CG TYR A 41 5.306 0.332 9.159 1.00 10.00 C ATOM 572 CD1 TYR A 41 6.116 -0.519 8.436 1.00 10.00 C ATOM 573 CD2 TYR A 41 3.934 0.183 9.114 1.00 10.00 C ATOM 574 CE1 TYR A 41 5.531 -1.562 7.634 1.00 10.00 C ATOM 575 CE2 TYR A 41 3.350 -0.860 8.312 1.00 10.00 C ATOM 576 CZ TYR A 41 4.177 -1.681 7.612 1.00 10.00 C ATOM 577 OH TYR A 41 3.624 -2.667 6.855 1.00 10.00 O ATOM 0 H TYR A 41 6.763 3.386 11.153 1.00 10.00 H new ATOM 0 HA TYR A 41 6.817 2.560 8.349 1.00 10.00 H new ATOM 0 HB2 TYR A 41 6.857 1.074 10.444 1.00 10.00 H new ATOM 0 HB3 TYR A 41 5.256 1.667 10.840 1.00 10.00 H new ATOM 0 HD1 TYR A 41 7.189 -0.403 8.472 1.00 10.00 H new ATOM 0 HD2 TYR A 41 3.299 0.849 9.680 1.00 10.00 H new ATOM 0 HE1 TYR A 41 6.154 -2.235 7.063 1.00 10.00 H new ATOM 0 HE2 TYR A 41 2.278 -0.987 8.267 1.00 10.00 H new ATOM 0 HH TYR A 41 2.648 -2.633 6.936 1.00 10.00 H new ATOM 587 N CYS A 42 4.895 3.863 7.571 1.00 10.00 N ATOM 588 CA CYS A 42 3.736 4.570 7.051 1.00 10.00 C ATOM 589 C CYS A 42 2.824 3.554 6.360 1.00 10.00 C ATOM 590 O CYS A 42 3.274 2.481 5.961 1.00 10.00 O ATOM 591 CB CYS A 42 4.143 5.705 6.109 1.00 10.00 C ATOM 592 SG CYS A 42 5.064 7.071 6.906 1.00 10.00 S ATOM 0 H CYS A 42 5.683 3.804 6.927 1.00 10.00 H new ATOM 0 HA CYS A 42 3.196 5.042 7.871 1.00 10.00 H new ATOM 0 HB2 CYS A 42 4.756 5.291 5.308 1.00 10.00 H new ATOM 0 HB3 CYS A 42 3.245 6.113 5.645 1.00 10.00 H new ATOM 597 N GLU A 43 1.559 3.929 6.240 1.00 10.00 N ATOM 598 CA GLU A 43 0.544 2.999 5.776 1.00 10.00 C ATOM 599 C GLU A 43 -0.375 3.679 4.760 1.00 10.00 C ATOM 600 O GLU A 43 -0.828 4.801 4.981 1.00 10.00 O ATOM 601 CB GLU A 43 -0.260 2.433 6.949 1.00 10.00 C ATOM 602 CG GLU A 43 0.592 1.478 7.787 1.00 10.00 C ATOM 603 CD GLU A 43 -0.205 0.930 8.973 1.00 10.00 C ATOM 604 OE1 GLU A 43 -0.642 1.705 9.837 1.00 10.00 O ATOM 605 OE2 GLU A 43 -0.365 -0.350 8.978 1.00 10.00 O ATOM 0 H GLU A 43 1.214 4.864 6.456 1.00 10.00 H new ATOM 0 HA GLU A 43 1.043 2.164 5.284 1.00 10.00 H new ATOM 0 HB2 GLU A 43 -0.620 3.249 7.575 1.00 10.00 H new ATOM 0 HB3 GLU A 43 -1.138 1.908 6.573 1.00 10.00 H new ATOM 0 HG2 GLU A 43 0.939 0.653 7.165 1.00 10.00 H new ATOM 0 HG3 GLU A 43 1.479 1.998 8.149 1.00 10.00 H new ATOM 613 N GLY A 44 -0.622 2.972 3.667 1.00 10.00 N ATOM 614 CA GLY A 44 -1.467 3.500 2.609 1.00 10.00 C ATOM 615 C GLY A 44 -0.737 4.585 1.814 1.00 10.00 C ATOM 616 O GLY A 44 -1.201 5.721 1.737 1.00 10.00 O ATOM 0 H GLY A 44 -0.252 2.038 3.491 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.765 2.693 1.940 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -2.380 3.912 3.039 1.00 10.00 H new ATOM 620 N LEU A 45 0.393 4.195 1.244 1.00 10.00 N ATOM 621 CA LEU A 45 1.148 5.094 0.387 1.00 10.00 C ATOM 622 C LEU A 45 0.615 4.995 -1.044 1.00 10.00 C ATOM 623 O LEU A 45 0.007 3.993 -1.416 1.00 10.00 O ATOM 624 CB LEU A 45 2.647 4.815 0.506 1.00 10.00 C ATOM 625 CG LEU A 45 3.287 5.150 1.855 1.00 10.00 C ATOM 626 CD1 LEU A 45 4.460 4.213 2.153 1.00 10.00 C ATOM 627 CD2 LEU A 45 3.700 6.622 1.916 1.00 10.00 C ATOM 0 H LEU A 45 0.805 3.269 1.358 1.00 10.00 H new ATOM 0 HA LEU A 45 1.014 6.127 0.707 1.00 10.00 H new ATOM 0 HB2 LEU A 45 2.817 3.759 0.298 1.00 10.00 H new ATOM 0 HB3 LEU A 45 3.164 5.380 -0.269 1.00 10.00 H new ATOM 0 HG LEU A 45 2.542 4.992 2.635 1.00 10.00 H new ATOM 0 HD11 LEU A 45 4.897 4.472 3.117 1.00 10.00 H new ATOM 0 HD12 LEU A 45 4.105 3.183 2.181 1.00 10.00 H new ATOM 0 HD13 LEU A 45 5.215 4.315 1.373 1.00 10.00 H new ATOM 0 HD21 LEU A 45 4.152 6.833 2.885 1.00 10.00 H new ATOM 0 HD22 LEU A 45 4.421 6.831 1.126 1.00 10.00 H new ATOM 0 HD23 LEU A 45 2.821 7.252 1.780 1.00 10.00 H new ATOM 639 N PRO A 46 0.869 6.077 -1.828 1.00 10.00 N ATOM 640 CA PRO A 46 0.768 5.993 -3.275 1.00 10.00 C ATOM 641 C PRO A 46 1.963 5.242 -3.865 1.00 10.00 C ATOM 642 O PRO A 46 3.060 5.282 -3.312 1.00 10.00 O ATOM 643 CB PRO A 46 0.681 7.435 -3.748 1.00 10.00 C ATOM 644 CG PRO A 46 1.201 8.283 -2.598 1.00 10.00 C ATOM 645 CD PRO A 46 1.257 7.404 -1.359 1.00 10.00 C ATOM 0 HA PRO A 46 -0.104 5.427 -3.603 1.00 10.00 H new ATOM 0 HB2 PRO A 46 1.278 7.588 -4.647 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -0.346 7.703 -3.998 1.00 10.00 H new ATOM 0 HG2 PRO A 46 2.190 8.677 -2.831 1.00 10.00 H new ATOM 0 HG3 PRO A 46 0.548 9.139 -2.429 1.00 10.00 H new ATOM 0 HD2 PRO A 46 2.257 7.394 -0.925 1.00 10.00 H new ATOM 0 HD3 PRO A 46 0.578 7.765 -0.586 1.00 10.00 H new ATOM 653 N GLU A 47 1.708 4.574 -4.981 1.00 10.00 N ATOM 654 CA GLU A 47 2.573 3.492 -5.419 1.00 10.00 C ATOM 655 C GLU A 47 3.849 4.054 -6.050 1.00 10.00 C ATOM 656 O GLU A 47 4.835 3.336 -6.211 1.00 10.00 O ATOM 657 CB GLU A 47 1.843 2.566 -6.394 1.00 10.00 C ATOM 658 CG GLU A 47 0.718 1.805 -5.688 1.00 10.00 C ATOM 659 CD GLU A 47 0.009 0.855 -6.655 1.00 10.00 C ATOM 660 OE1 GLU A 47 0.270 -0.357 -6.637 1.00 10.00 O ATOM 661 OE2 GLU A 47 -0.843 1.417 -7.445 1.00 10.00 O ATOM 0 H GLU A 47 0.915 4.761 -5.595 1.00 10.00 H new ATOM 0 HA GLU A 47 2.851 2.901 -4.547 1.00 10.00 H new ATOM 0 HB2 GLU A 47 1.431 3.150 -7.217 1.00 10.00 H new ATOM 0 HB3 GLU A 47 2.550 1.858 -6.828 1.00 10.00 H new ATOM 0 HG2 GLU A 47 1.126 1.239 -4.851 1.00 10.00 H new ATOM 0 HG3 GLU A 47 -0.001 2.512 -5.275 1.00 10.00 H new ATOM 669 N ASN A 48 3.789 5.334 -6.389 1.00 10.00 N ATOM 670 CA ASN A 48 4.908 5.988 -7.045 1.00 10.00 C ATOM 671 C ASN A 48 6.016 6.242 -6.021 1.00 10.00 C ATOM 672 O ASN A 48 7.173 6.442 -6.389 1.00 10.00 O ATOM 673 CB ASN A 48 4.490 7.336 -7.634 1.00 10.00 C ATOM 674 CG ASN A 48 4.178 8.345 -6.527 1.00 10.00 C ATOM 675 OD1 ASN A 48 3.085 8.397 -5.988 1.00 10.00 O ATOM 676 ND2 ASN A 48 5.198 9.142 -6.218 1.00 10.00 N ATOM 0 H ASN A 48 2.982 5.935 -6.221 1.00 10.00 H new ATOM 0 HA ASN A 48 5.256 5.337 -7.847 1.00 10.00 H new ATOM 0 HB2 ASN A 48 5.287 7.722 -8.269 1.00 10.00 H new ATOM 0 HB3 ASN A 48 3.613 7.204 -8.268 1.00 10.00 H new ATOM 0 HD21 ASN A 48 5.091 9.849 -5.491 1.00 10.00 H new ATOM 0 HD22 ASN A 48 6.087 9.046 -6.708 1.00 10.00 H new ATOM 683 N ALA A 49 5.624 6.226 -4.755 1.00 10.00 N ATOM 684 CA ALA A 49 6.564 6.481 -3.677 1.00 10.00 C ATOM 685 C ALA A 49 7.334 5.197 -3.363 1.00 10.00 C ATOM 686 O ALA A 49 6.734 4.144 -3.153 1.00 10.00 O ATOM 687 CB ALA A 49 5.810 7.021 -2.460 1.00 10.00 C ATOM 0 H ALA A 49 4.668 6.040 -4.452 1.00 10.00 H new ATOM 0 HA ALA A 49 7.291 7.237 -3.973 1.00 10.00 H new ATOM 0 HB1 ALA A 49 6.515 7.212 -1.651 1.00 10.00 H new ATOM 0 HB2 ALA A 49 5.304 7.949 -2.728 1.00 10.00 H new ATOM 0 HB3 ALA A 49 5.073 6.287 -2.133 1.00 10.00 H new ATOM 693 N LYS A 50 8.653 5.327 -3.340 1.00 10.00 N ATOM 694 CA LYS A 50 9.513 4.182 -3.093 1.00 10.00 C ATOM 695 C LYS A 50 9.569 3.907 -1.589 1.00 10.00 C ATOM 696 O LYS A 50 9.700 4.832 -0.790 1.00 10.00 O ATOM 697 CB LYS A 50 10.887 4.397 -3.731 1.00 10.00 C ATOM 698 CG LYS A 50 11.744 3.134 -3.624 1.00 10.00 C ATOM 699 CD LYS A 50 12.681 3.208 -2.417 1.00 10.00 C ATOM 700 CE LYS A 50 13.469 1.907 -2.253 1.00 10.00 C ATOM 701 NZ LYS A 50 14.228 1.917 -0.983 1.00 10.00 N ATOM 0 H LYS A 50 9.146 6.207 -3.488 1.00 10.00 H new ATOM 0 HA LYS A 50 9.104 3.289 -3.565 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.767 4.672 -4.779 1.00 10.00 H new ATOM 0 HB3 LYS A 50 11.394 5.228 -3.240 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.100 2.259 -3.536 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.328 3.008 -4.535 1.00 10.00 H new ATOM 0 HD2 LYS A 50 13.372 4.042 -2.539 1.00 10.00 H new ATOM 0 HD3 LYS A 50 12.102 3.403 -1.514 1.00 10.00 H new ATOM 0 HE2 LYS A 50 12.787 1.057 -2.269 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.154 1.782 -3.092 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 14.757 1.027 -0.888 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 14.893 2.717 -0.982 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 13.568 2.015 -0.185 1.00 10.00 H new ATOM 714 N VAL A 51 9.467 2.630 -1.249 1.00 10.00 N ATOM 715 CA VAL A 51 9.452 2.227 0.146 1.00 10.00 C ATOM 716 C VAL A 51 10.512 1.147 0.372 1.00 10.00 C ATOM 717 O VAL A 51 10.800 0.357 -0.525 1.00 10.00 O ATOM 718 CB VAL A 51 8.045 1.775 0.545 1.00 10.00 C ATOM 719 CG1 VAL A 51 6.986 2.737 0.001 1.00 10.00 C ATOM 720 CG2 VAL A 51 7.776 0.343 0.079 1.00 10.00 C ATOM 0 H VAL A 51 9.394 1.862 -1.916 1.00 10.00 H new ATOM 0 HA VAL A 51 9.704 3.070 0.789 1.00 10.00 H new ATOM 0 HB VAL A 51 7.984 1.790 1.633 1.00 10.00 H new ATOM 0 HG11 VAL A 51 5.995 2.393 0.298 1.00 10.00 H new ATOM 0 HG12 VAL A 51 7.160 3.735 0.403 1.00 10.00 H new ATOM 0 HG13 VAL A 51 7.048 2.769 -1.087 1.00 10.00 H new ATOM 0 HG21 VAL A 51 6.770 0.047 0.375 1.00 10.00 H new ATOM 0 HG22 VAL A 51 7.865 0.291 -1.006 1.00 10.00 H new ATOM 0 HG23 VAL A 51 8.502 -0.330 0.535 1.00 10.00 H new ATOM 730 N SER A 52 11.064 1.148 1.577 1.00 10.00 N ATOM 731 CA SER A 52 11.812 -0.001 2.058 1.00 10.00 C ATOM 732 C SER A 52 10.936 -0.845 2.986 1.00 10.00 C ATOM 733 O SER A 52 9.955 -0.350 3.539 1.00 10.00 O ATOM 734 CB SER A 52 13.087 0.436 2.783 1.00 10.00 C ATOM 735 OG SER A 52 13.783 -0.670 3.353 1.00 10.00 O ATOM 0 H SER A 52 11.008 1.926 2.234 1.00 10.00 H new ATOM 0 HA SER A 52 12.104 -0.603 1.198 1.00 10.00 H new ATOM 0 HB2 SER A 52 13.742 0.955 2.083 1.00 10.00 H new ATOM 0 HB3 SER A 52 12.832 1.147 3.568 1.00 10.00 H new ATOM 0 HG SER A 52 14.726 -0.434 3.479 1.00 10.00 H new ATOM 741 N ASP A 53 11.322 -2.104 3.129 1.00 10.00 N ATOM 742 CA ASP A 53 10.777 -2.939 4.186 1.00 10.00 C ATOM 743 C ASP A 53 11.924 -3.611 4.943 1.00 10.00 C ATOM 744 O ASP A 53 11.731 -4.645 5.580 1.00 10.00 O ATOM 745 CB ASP A 53 9.881 -4.038 3.612 1.00 10.00 C ATOM 746 CG ASP A 53 10.583 -5.020 2.672 1.00 10.00 C ATOM 747 OD1 ASP A 53 10.175 -6.184 2.543 1.00 10.00 O ATOM 748 OD2 ASP A 53 11.605 -4.540 2.047 1.00 10.00 O ATOM 0 H ASP A 53 12.006 -2.567 2.530 1.00 10.00 H new ATOM 0 HA ASP A 53 10.189 -2.303 4.848 1.00 10.00 H new ATOM 0 HB2 ASP A 53 9.445 -4.599 4.439 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.057 -3.570 3.074 1.00 10.00 H new ATOM 754 N SER A 54 13.093 -2.995 4.848 1.00 10.00 N ATOM 755 CA SER A 54 14.326 -3.670 5.218 1.00 10.00 C ATOM 756 C SER A 54 15.023 -2.905 6.345 1.00 10.00 C ATOM 757 O SER A 54 16.246 -2.773 6.346 1.00 10.00 O ATOM 758 CB SER A 54 15.260 -3.809 4.014 1.00 10.00 C ATOM 759 OG SER A 54 15.443 -2.570 3.333 1.00 10.00 O ATOM 0 H SER A 54 13.213 -2.036 4.520 1.00 10.00 H new ATOM 0 HA SER A 54 14.076 -4.672 5.568 1.00 10.00 H new ATOM 0 HB2 SER A 54 16.227 -4.186 4.347 1.00 10.00 H new ATOM 0 HB3 SER A 54 14.852 -4.546 3.322 1.00 10.00 H new ATOM 0 HG SER A 54 14.571 -2.154 3.170 1.00 10.00 H new ATOM 765 N ALA A 55 14.215 -2.421 7.276 1.00 10.00 N ATOM 766 CA ALA A 55 14.718 -2.068 8.593 1.00 10.00 C ATOM 767 C ALA A 55 15.822 -1.019 8.448 1.00 10.00 C ATOM 768 O ALA A 55 16.954 -1.241 8.874 1.00 10.00 O ATOM 769 CB ALA A 55 15.203 -3.330 9.310 1.00 10.00 C ATOM 0 H ALA A 55 13.216 -2.265 7.145 1.00 10.00 H new ATOM 0 HA ALA A 55 13.926 -1.631 9.202 1.00 10.00 H new ATOM 0 HB1 ALA A 55 15.580 -3.065 10.298 1.00 10.00 H new ATOM 0 HB2 ALA A 55 14.374 -4.031 9.414 1.00 10.00 H new ATOM 0 HB3 ALA A 55 16.000 -3.794 8.730 1.00 10.00 H new ATOM 775 N THR A 56 15.454 0.102 7.846 1.00 10.00 N ATOM 776 CA THR A 56 16.357 1.237 7.760 1.00 10.00 C ATOM 777 C THR A 56 17.641 0.844 7.026 1.00 10.00 C ATOM 778 O THR A 56 18.724 0.866 7.607 1.00 10.00 O ATOM 779 CB THR A 56 16.603 1.754 9.179 1.00 10.00 C ATOM 780 OG1 THR A 56 15.296 1.903 9.726 1.00 10.00 O ATOM 781 CG2 THR A 56 17.178 3.171 9.195 1.00 10.00 C ATOM 0 H THR A 56 14.542 0.249 7.413 1.00 10.00 H new ATOM 0 HA THR A 56 15.920 2.046 7.174 1.00 10.00 H new ATOM 0 HB THR A 56 17.285 1.080 9.697 1.00 10.00 H new ATOM 0 HG1 THR A 56 15.055 2.853 9.744 1.00 10.00 H new ATOM 0 HG21 THR A 56 17.333 3.489 10.226 1.00 10.00 H new ATOM 0 HG22 THR A 56 18.130 3.183 8.664 1.00 10.00 H new ATOM 0 HG23 THR A 56 16.481 3.852 8.706 1.00 10.00 H new ATOM 789 N ASN A 57 17.475 0.492 5.759 1.00 10.00 N ATOM 790 CA ASN A 57 18.605 0.080 4.943 1.00 10.00 C ATOM 791 C ASN A 57 19.365 1.321 4.469 1.00 10.00 C ATOM 792 O ASN A 57 20.536 1.233 4.102 1.00 10.00 O ATOM 793 CB ASN A 57 18.140 -0.690 3.706 1.00 10.00 C ATOM 794 CG ASN A 57 17.149 0.138 2.885 1.00 10.00 C ATOM 795 OD1 ASN A 57 16.191 0.693 3.397 1.00 10.00 O ATOM 796 ND2 ASN A 57 17.432 0.189 1.587 1.00 10.00 N ATOM 0 H ASN A 57 16.576 0.484 5.278 1.00 10.00 H new ATOM 0 HA ASN A 57 19.242 -0.564 5.550 1.00 10.00 H new ATOM 0 HB2 ASN A 57 19.001 -0.949 3.090 1.00 10.00 H new ATOM 0 HB3 ASN A 57 17.672 -1.626 4.011 1.00 10.00 H new ATOM 0 HD21 ASN A 57 16.830 0.716 0.954 1.00 10.00 H new ATOM 0 HD22 ASN A 57 18.251 -0.299 1.224 1.00 10.00 H new ATOM 803 N ILE A 58 18.669 2.447 4.493 1.00 10.00 N ATOM 804 CA ILE A 58 19.291 3.719 4.165 1.00 10.00 C ATOM 805 C ILE A 58 19.421 4.561 5.435 1.00 10.00 C ATOM 806 O ILE A 58 18.524 4.564 6.277 1.00 10.00 O ATOM 807 CB ILE A 58 18.522 4.416 3.041 1.00 10.00 C ATOM 808 CG1 ILE A 58 18.536 3.575 1.763 1.00 10.00 C ATOM 809 CG2 ILE A 58 19.061 5.829 2.803 1.00 10.00 C ATOM 810 CD1 ILE A 58 17.281 3.829 0.926 1.00 10.00 C ATOM 0 H ILE A 58 17.680 2.506 4.735 1.00 10.00 H new ATOM 0 HA ILE A 58 20.299 3.563 3.782 1.00 10.00 H new ATOM 0 HB ILE A 58 17.481 4.515 3.350 1.00 10.00 H new ATOM 0 HG12 ILE A 58 19.423 3.813 1.176 1.00 10.00 H new ATOM 0 HG13 ILE A 58 18.598 2.518 2.020 1.00 10.00 H new ATOM 0 HG21 ILE A 58 18.497 6.303 1.999 1.00 10.00 H new ATOM 0 HG22 ILE A 58 18.956 6.417 3.715 1.00 10.00 H new ATOM 0 HG23 ILE A 58 20.114 5.775 2.525 1.00 10.00 H new ATOM 0 HD11 ILE A 58 17.316 3.219 0.023 1.00 10.00 H new ATOM 0 HD12 ILE A 58 16.397 3.567 1.507 1.00 10.00 H new ATOM 0 HD13 ILE A 58 17.235 4.883 0.650 1.00 10.00 H new ATOM 822 N CYS A 59 20.545 5.256 5.534 1.00 10.00 N ATOM 823 CA CYS A 59 21.009 5.749 6.819 1.00 10.00 C ATOM 824 C CYS A 59 20.862 4.625 7.847 1.00 10.00 C ATOM 825 O CYS A 59 20.240 4.812 8.891 1.00 10.00 O ATOM 826 CB CYS A 59 20.259 7.013 7.245 1.00 10.00 C ATOM 827 SG CYS A 59 20.804 8.547 6.409 1.00 10.00 S ATOM 0 H CYS A 59 21.148 5.489 4.745 1.00 10.00 H new ATOM 0 HA CYS A 59 22.058 6.036 6.743 1.00 10.00 H new ATOM 0 HB2 CYS A 59 19.196 6.870 7.053 1.00 10.00 H new ATOM 0 HB3 CYS A 59 20.374 7.142 8.321 1.00 10.00 H new ATOM 832 N GLY A 60 21.446 3.483 7.514 1.00 10.00 N ATOM 833 CA GLY A 60 21.437 2.347 8.420 1.00 10.00 C ATOM 834 C GLY A 60 22.458 2.534 9.544 1.00 10.00 C ATOM 835 O GLY A 60 23.649 2.296 9.352 1.00 10.00 O ATOM 0 H GLY A 60 21.928 3.320 6.630 1.00 10.00 H new ATOM 0 HA2 GLY A 60 20.441 2.224 8.845 1.00 10.00 H new ATOM 0 HA3 GLY A 60 21.662 1.435 7.867 1.00 10.00 H new TER 839 GLY A 60