USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 553 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 15 CYS SG : rot -161:sc= -0.877! USER MOD Set 1.2: A 59 TYR OH : rot -129:sc= 0.835 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.841 (180deg=-0.144) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc=-0.00106 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= 0.901 (180deg=0.701) USER MOD Single : A 17 MET CE :methyl 170:sc= -0.0225 (180deg=-0.268) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= 0.0734 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.0519 X(o=0.052,f=-0.27) USER MOD Single : A 31 TYR OH : rot 165:sc= 0 USER MOD Single : A 34 SER OG : rot 11:sc= 0.0208 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.595) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.3) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0712 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 32:sc= 0.399 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.443 2.940 3.125 1.00 0.00 N ATOM 2 CA MET A 1 13.427 3.716 2.397 1.00 0.00 C ATOM 3 C MET A 1 12.028 3.318 2.820 1.00 0.00 C ATOM 4 O MET A 1 11.766 2.148 3.101 1.00 0.00 O ATOM 5 CB MET A 1 13.584 3.668 0.866 1.00 0.00 C ATOM 6 CG MET A 1 13.846 2.254 0.344 1.00 0.00 C ATOM 7 SD MET A 1 15.582 1.745 0.337 1.00 0.00 S ATOM 8 CE MET A 1 16.126 2.494 -1.221 1.00 0.00 C ATOM 0 H1 MET A 1 15.021 3.582 3.705 1.00 0.00 H new ATOM 0 H2 MET A 1 13.974 2.245 3.741 1.00 0.00 H new ATOM 0 H3 MET A 1 15.054 2.443 2.445 1.00 0.00 H new ATOM 0 HA MET A 1 13.593 4.757 2.676 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.681 4.062 0.400 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.406 4.319 0.568 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.280 1.549 0.952 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.459 2.181 -0.672 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.182 2.275 -1.381 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.542 2.084 -2.045 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.982 3.573 -1.176 1.00 0.00 H new ATOM 18 N ARG A 2 11.112 4.287 2.835 1.00 0.00 N ATOM 19 CA ARG A 2 9.685 4.035 2.770 1.00 0.00 C ATOM 20 C ARG A 2 9.100 4.938 1.696 1.00 0.00 C ATOM 21 O ARG A 2 9.706 5.954 1.353 1.00 0.00 O ATOM 22 CB ARG A 2 9.014 4.243 4.144 1.00 0.00 C ATOM 23 CG ARG A 2 8.670 5.711 4.383 1.00 0.00 C ATOM 24 CD ARG A 2 8.207 6.034 5.800 1.00 0.00 C ATOM 25 NE ARG A 2 8.957 7.180 6.315 1.00 0.00 N ATOM 26 CZ ARG A 2 9.102 7.543 7.584 1.00 0.00 C ATOM 27 NH1 ARG A 2 8.553 6.857 8.580 1.00 0.00 N ATOM 28 NH2 ARG A 2 9.816 8.623 7.826 1.00 0.00 N ATOM 0 H ARG A 2 11.350 5.277 2.893 1.00 0.00 H new ATOM 0 HA ARG A 2 9.496 2.994 2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.107 3.642 4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.680 3.891 4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.546 6.317 4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.888 6.005 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.140 6.255 5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.355 5.170 6.447 1.00 0.00 H new ATOM 0 HE ARG A 2 9.421 7.766 5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.000 6.023 8.381 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.684 7.164 9.544 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.231 9.144 7.053 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.954 8.939 8.786 1.00 0.00 H new ATOM 42 N TYR A 3 7.891 4.623 1.249 1.00 0.00 N ATOM 43 CA TYR A 3 7.203 5.387 0.224 1.00 0.00 C ATOM 44 C TYR A 3 5.733 5.472 0.608 1.00 0.00 C ATOM 45 O TYR A 3 5.170 4.477 1.069 1.00 0.00 O ATOM 46 CB TYR A 3 7.389 4.700 -1.136 1.00 0.00 C ATOM 47 CG TYR A 3 8.831 4.379 -1.496 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.424 3.194 -1.014 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.563 5.224 -2.353 1.00 0.00 C ATOM 50 CE1 TYR A 3 10.718 2.828 -1.419 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.832 4.830 -2.819 1.00 0.00 C ATOM 52 CZ TYR A 3 11.397 3.613 -2.376 1.00 0.00 C ATOM 53 OH TYR A 3 12.580 3.171 -2.881 1.00 0.00 O ATOM 0 H TYR A 3 7.359 3.823 1.592 1.00 0.00 H new ATOM 0 HA TYR A 3 7.610 6.395 0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.813 3.775 -1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.970 5.341 -1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.879 2.563 -0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.150 6.176 -2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.191 1.952 -1.001 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.372 5.456 -3.513 1.00 0.00 H new ATOM 0 HH TYR A 3 12.923 3.822 -3.529 1.00 0.00 H new ATOM 63 N VAL A 4 5.111 6.638 0.426 1.00 0.00 N ATOM 64 CA VAL A 4 3.695 6.871 0.661 1.00 0.00 C ATOM 65 C VAL A 4 2.970 6.781 -0.687 1.00 0.00 C ATOM 66 O VAL A 4 3.153 7.621 -1.568 1.00 0.00 O ATOM 67 CB VAL A 4 3.479 8.166 1.477 1.00 0.00 C ATOM 68 CG1 VAL A 4 3.923 9.460 0.791 1.00 0.00 C ATOM 69 CG2 VAL A 4 2.012 8.332 1.880 1.00 0.00 C ATOM 0 H VAL A 4 5.601 7.471 0.100 1.00 0.00 H new ATOM 0 HA VAL A 4 3.248 6.106 1.295 1.00 0.00 H new ATOM 0 HB VAL A 4 4.123 8.024 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.727 10.306 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.990 9.409 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.369 9.587 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.894 9.252 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.392 8.379 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.704 7.483 2.490 1.00 0.00 H new ATOM 79 N LEU A 5 2.226 5.696 -0.884 1.00 0.00 N ATOM 80 CA LEU A 5 1.456 5.369 -2.086 1.00 0.00 C ATOM 81 C LEU A 5 0.097 6.080 -2.000 1.00 0.00 C ATOM 82 O LEU A 5 -0.475 6.144 -0.906 1.00 0.00 O ATOM 83 CB LEU A 5 1.197 3.855 -2.145 1.00 0.00 C ATOM 84 CG LEU A 5 2.272 2.886 -1.619 1.00 0.00 C ATOM 85 CD1 LEU A 5 1.781 1.449 -1.833 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.631 3.069 -2.300 1.00 0.00 C ATOM 0 H LEU A 5 2.138 4.976 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 5 2.012 5.684 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.279 3.658 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.003 3.596 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 5 2.421 3.101 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.532 0.749 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.848 1.299 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.614 1.276 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.345 2.357 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.527 2.896 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.990 4.084 -2.129 1.00 0.00 H new ATOM 98 N TYR A 6 -0.464 6.525 -3.126 1.00 0.00 N ATOM 99 CA TYR A 6 -1.850 6.973 -3.234 1.00 0.00 C ATOM 100 C TYR A 6 -2.676 5.841 -3.841 1.00 0.00 C ATOM 101 O TYR A 6 -2.517 5.506 -5.018 1.00 0.00 O ATOM 102 CB TYR A 6 -1.978 8.258 -4.069 1.00 0.00 C ATOM 103 CG TYR A 6 -3.364 8.892 -3.970 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.929 9.200 -2.716 1.00 0.00 C ATOM 105 CD2 TYR A 6 -4.113 9.164 -5.130 1.00 0.00 C ATOM 106 CE1 TYR A 6 -5.214 9.761 -2.620 1.00 0.00 C ATOM 107 CE2 TYR A 6 -5.405 9.709 -5.050 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.956 10.023 -3.792 1.00 0.00 C ATOM 109 OH TYR A 6 -7.165 10.644 -3.709 1.00 0.00 O ATOM 0 H TYR A 6 0.046 6.584 -4.007 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.223 7.217 -2.239 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.230 8.978 -3.737 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.761 8.031 -5.113 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.366 9.002 -1.816 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.687 8.950 -6.099 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.633 9.991 -1.652 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.974 9.887 -5.950 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.541 10.749 -4.608 1.00 0.00 H new ATOM 119 N VAL A 7 -3.530 5.231 -3.026 1.00 0.00 N ATOM 120 CA VAL A 7 -4.362 4.084 -3.364 1.00 0.00 C ATOM 121 C VAL A 7 -5.826 4.549 -3.252 1.00 0.00 C ATOM 122 O VAL A 7 -6.430 4.412 -2.187 1.00 0.00 O ATOM 123 CB VAL A 7 -3.998 2.891 -2.453 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.800 1.601 -2.727 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.492 2.580 -2.468 1.00 0.00 C ATOM 0 H VAL A 7 -3.667 5.540 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.199 3.724 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.285 3.231 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.477 0.819 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.863 1.795 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.628 1.277 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.289 1.734 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.181 2.335 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.937 3.451 -2.119 1.00 0.00 H new ATOM 135 N PRO A 8 -6.423 5.149 -4.296 1.00 0.00 N ATOM 136 CA PRO A 8 -7.810 5.608 -4.243 1.00 0.00 C ATOM 137 C PRO A 8 -8.827 4.482 -3.973 1.00 0.00 C ATOM 138 O PRO A 8 -9.918 4.761 -3.474 1.00 0.00 O ATOM 139 CB PRO A 8 -8.069 6.337 -5.564 1.00 0.00 C ATOM 140 CG PRO A 8 -6.976 5.818 -6.495 1.00 0.00 C ATOM 141 CD PRO A 8 -5.813 5.504 -5.565 1.00 0.00 C ATOM 0 HA PRO A 8 -7.951 6.275 -3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.063 6.116 -5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.008 7.418 -5.441 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.303 4.931 -7.038 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.700 6.564 -7.240 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.208 4.685 -5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.152 6.364 -5.457 1.00 0.00 H new ATOM 149 N ASP A 9 -8.464 3.220 -4.227 1.00 0.00 N ATOM 150 CA ASP A 9 -9.297 2.027 -4.019 1.00 0.00 C ATOM 151 C ASP A 9 -9.581 1.771 -2.541 1.00 0.00 C ATOM 152 O ASP A 9 -10.459 0.981 -2.192 1.00 0.00 O ATOM 153 CB ASP A 9 -8.603 0.778 -4.587 1.00 0.00 C ATOM 154 CG ASP A 9 -8.456 0.769 -6.104 1.00 0.00 C ATOM 155 OD1 ASP A 9 -7.568 1.503 -6.601 1.00 0.00 O ATOM 156 OD2 ASP A 9 -9.158 -0.028 -6.759 1.00 0.00 O ATOM 0 H ASP A 9 -7.542 2.991 -4.599 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.238 2.217 -4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.613 0.693 -4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.167 -0.104 -4.284 1.00 0.00 H new ATOM 161 N ILE A 10 -8.883 2.454 -1.633 1.00 0.00 N ATOM 162 CA ILE A 10 -9.165 2.372 -0.208 1.00 0.00 C ATOM 163 C ILE A 10 -10.427 3.200 0.117 1.00 0.00 C ATOM 164 O ILE A 10 -10.617 3.585 1.261 1.00 0.00 O ATOM 165 CB ILE A 10 -7.950 2.832 0.638 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.600 2.306 0.133 1.00 0.00 C ATOM 167 CG2 ILE A 10 -8.050 2.377 2.116 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.413 2.957 0.842 1.00 0.00 C ATOM 0 H ILE A 10 -8.110 3.076 -1.868 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.353 1.331 0.053 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.987 3.918 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.558 1.227 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.522 2.487 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.174 2.725 2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.950 2.796 2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.096 1.289 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.484 2.548 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.436 4.034 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.472 2.754 1.911 1.00 0.00 H new ATOM 180 N SER A 11 -11.310 3.516 -0.835 1.00 0.00 N ATOM 181 CA SER A 11 -12.572 4.197 -0.560 1.00 0.00 C ATOM 182 C SER A 11 -13.510 3.404 0.374 1.00 0.00 C ATOM 183 O SER A 11 -14.534 3.963 0.770 1.00 0.00 O ATOM 184 CB SER A 11 -13.262 4.564 -1.884 1.00 0.00 C ATOM 185 OG SER A 11 -13.119 5.946 -2.173 1.00 0.00 O ATOM 0 H SER A 11 -11.166 3.304 -1.822 1.00 0.00 H new ATOM 0 HA SER A 11 -12.335 5.110 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.835 3.974 -2.695 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.320 4.309 -1.828 1.00 0.00 H new ATOM 0 HG SER A 11 -13.566 6.151 -3.021 1.00 0.00 H new ATOM 191 N CYS A 12 -13.190 2.165 0.782 1.00 0.00 N ATOM 192 CA CYS A 12 -13.934 1.443 1.825 1.00 0.00 C ATOM 193 C CYS A 12 -13.049 0.918 2.966 1.00 0.00 C ATOM 194 O CYS A 12 -11.833 0.779 2.852 1.00 0.00 O ATOM 195 CB CYS A 12 -14.727 0.291 1.190 1.00 0.00 C ATOM 196 SG CYS A 12 -16.305 0.891 0.554 1.00 0.00 S ATOM 0 H CYS A 12 -12.407 1.636 0.397 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.613 2.164 2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.148 -0.156 0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -14.899 -0.491 1.929 1.00 0.00 H new ATOM 0 HG CYS A 12 -16.961 -0.096 0.019 1.00 0.00 H new ATOM 202 N ASN A 13 -13.691 0.553 4.076 1.00 0.00 N ATOM 203 CA ASN A 13 -13.040 0.107 5.303 1.00 0.00 C ATOM 204 C ASN A 13 -12.537 -1.333 5.160 1.00 0.00 C ATOM 205 O ASN A 13 -11.399 -1.622 5.512 1.00 0.00 O ATOM 206 CB ASN A 13 -13.995 0.256 6.500 1.00 0.00 C ATOM 207 CG ASN A 13 -13.221 0.527 7.785 1.00 0.00 C ATOM 208 OD1 ASN A 13 -12.630 -0.373 8.374 1.00 0.00 O ATOM 209 ND2 ASN A 13 -13.247 1.747 8.293 1.00 0.00 N ATOM 0 H ASN A 13 -14.709 0.561 4.146 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.171 0.739 5.487 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.694 1.071 6.313 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.587 -0.652 6.613 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.775 1.942 9.176 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.739 2.494 7.802 1.00 0.00 H new ATOM 216 N HIS A 14 -13.325 -2.242 4.568 1.00 0.00 N ATOM 217 CA HIS A 14 -12.833 -3.587 4.236 1.00 0.00 C ATOM 218 C HIS A 14 -11.724 -3.516 3.186 1.00 0.00 C ATOM 219 O HIS A 14 -10.798 -4.328 3.252 1.00 0.00 O ATOM 220 CB HIS A 14 -13.983 -4.489 3.769 1.00 0.00 C ATOM 221 CG HIS A 14 -13.589 -5.924 3.494 1.00 0.00 C ATOM 222 ND1 HIS A 14 -12.988 -6.407 2.349 1.00 0.00 N ATOM 223 CD2 HIS A 14 -13.759 -6.985 4.342 1.00 0.00 C ATOM 224 CE1 HIS A 14 -12.764 -7.723 2.521 1.00 0.00 C ATOM 225 NE2 HIS A 14 -13.221 -8.122 3.728 1.00 0.00 N ATOM 0 H HIS A 14 -14.297 -2.073 4.311 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.410 -4.027 5.139 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.765 -4.480 4.528 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.414 -4.065 2.862 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -14.227 -6.951 5.315 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.287 -8.368 1.798 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.182 -9.065 4.115 1.00 0.00 H new ATOM 233 N CYS A 15 -11.760 -2.526 2.278 1.00 0.00 N ATOM 234 CA CYS A 15 -10.649 -2.306 1.365 1.00 0.00 C ATOM 235 C CYS A 15 -9.349 -2.210 2.160 1.00 0.00 C ATOM 236 O CYS A 15 -8.366 -2.828 1.748 1.00 0.00 O ATOM 237 CB CYS A 15 -10.840 -1.101 0.424 1.00 0.00 C ATOM 238 SG CYS A 15 -12.210 -1.407 -0.721 1.00 0.00 S ATOM 0 H CYS A 15 -12.540 -1.878 2.165 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.604 -3.167 0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -11.039 -0.203 1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.923 -0.920 -0.136 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.113 -0.604 -1.739 1.00 0.00 H new ATOM 244 N LYS A 16 -9.291 -1.429 3.252 1.00 0.00 N ATOM 245 CA LYS A 16 -8.052 -1.141 3.988 1.00 0.00 C ATOM 246 C LYS A 16 -7.269 -2.430 4.241 1.00 0.00 C ATOM 247 O LYS A 16 -6.093 -2.530 3.889 1.00 0.00 O ATOM 248 CB LYS A 16 -8.355 -0.333 5.263 1.00 0.00 C ATOM 249 CG LYS A 16 -7.213 -0.334 6.287 1.00 0.00 C ATOM 250 CD LYS A 16 -7.311 0.865 7.233 1.00 0.00 C ATOM 251 CE LYS A 16 -6.368 0.667 8.422 1.00 0.00 C ATOM 252 NZ LYS A 16 -6.206 1.906 9.202 1.00 0.00 N ATOM 0 H LYS A 16 -10.113 -0.976 3.651 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.403 -0.509 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.578 0.697 4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.251 -0.738 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.241 -1.258 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.255 -0.312 5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.053 1.781 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.336 0.979 7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.757 -0.121 9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.395 0.333 8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.810 1.679 10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.562 2.550 8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.132 2.365 9.321 1.00 0.00 H new ATOM 266 N MET A 17 -7.949 -3.439 4.782 1.00 0.00 N ATOM 267 CA MET A 17 -7.347 -4.720 5.121 1.00 0.00 C ATOM 268 C MET A 17 -6.857 -5.505 3.897 1.00 0.00 C ATOM 269 O MET A 17 -5.937 -6.310 4.038 1.00 0.00 O ATOM 270 CB MET A 17 -8.330 -5.535 5.953 1.00 0.00 C ATOM 271 CG MET A 17 -8.499 -4.945 7.359 1.00 0.00 C ATOM 272 SD MET A 17 -9.912 -5.609 8.275 1.00 0.00 S ATOM 273 CE MET A 17 -9.490 -7.367 8.235 1.00 0.00 C ATOM 0 H MET A 17 -8.944 -3.386 4.998 1.00 0.00 H new ATOM 0 HA MET A 17 -6.451 -4.519 5.708 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.297 -5.564 5.451 1.00 0.00 H new ATOM 0 HB3 MET A 17 -7.979 -6.564 6.029 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.590 -5.130 7.931 1.00 0.00 H new ATOM 0 HG3 MET A 17 -8.609 -3.864 7.277 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.154 -7.916 8.902 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.603 -7.745 7.219 1.00 0.00 H new ATOM 0 HE3 MET A 17 -8.458 -7.501 8.560 1.00 0.00 H new ATOM 283 N ARG A 18 -7.402 -5.277 2.693 1.00 0.00 N ATOM 284 CA ARG A 18 -6.984 -5.988 1.487 1.00 0.00 C ATOM 285 C ARG A 18 -5.520 -5.730 1.183 1.00 0.00 C ATOM 286 O ARG A 18 -4.816 -6.663 0.796 1.00 0.00 O ATOM 287 CB ARG A 18 -7.808 -5.563 0.264 1.00 0.00 C ATOM 288 CG ARG A 18 -9.296 -5.961 0.300 1.00 0.00 C ATOM 289 CD ARG A 18 -9.576 -6.792 -0.949 1.00 0.00 C ATOM 290 NE ARG A 18 -10.985 -7.056 -1.245 1.00 0.00 N ATOM 291 CZ ARG A 18 -11.384 -7.886 -2.219 1.00 0.00 C ATOM 292 NH1 ARG A 18 -10.572 -8.808 -2.731 1.00 0.00 N ATOM 293 NH2 ARG A 18 -12.624 -7.762 -2.671 1.00 0.00 N ATOM 0 H ARG A 18 -8.143 -4.595 2.533 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.145 -7.048 1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.741 -4.480 0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.355 -5.997 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.518 -6.534 1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.930 -5.075 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.135 -6.282 -1.806 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.062 -7.748 -0.847 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.696 -6.587 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.617 -8.897 -2.383 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.904 -9.426 -3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.241 -7.051 -2.278 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.961 -8.377 -3.412 1.00 0.00 H new ATOM 307 N ILE A 19 -5.069 -4.480 1.334 1.00 0.00 N ATOM 308 CA ILE A 19 -3.659 -4.163 1.154 1.00 0.00 C ATOM 309 C ILE A 19 -2.894 -4.927 2.216 1.00 0.00 C ATOM 310 O ILE A 19 -1.998 -5.692 1.867 1.00 0.00 O ATOM 311 CB ILE A 19 -3.378 -2.643 1.206 1.00 0.00 C ATOM 312 CG1 ILE A 19 -3.943 -1.956 -0.050 1.00 0.00 C ATOM 313 CG2 ILE A 19 -1.879 -2.317 1.288 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.291 -1.344 0.245 1.00 0.00 C ATOM 0 H ILE A 19 -5.657 -3.683 1.578 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.332 -4.466 0.159 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.863 -2.275 2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.253 -1.184 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.035 -2.681 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.743 -1.236 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.458 -2.764 2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.371 -2.719 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.676 -0.862 -0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.983 -2.124 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.189 -0.603 1.038 1.00 0.00 H new ATOM 326 N SER A 20 -3.223 -4.726 3.493 1.00 0.00 N ATOM 327 CA SER A 20 -2.406 -5.189 4.585 1.00 0.00 C ATOM 328 C SER A 20 -2.197 -6.683 4.503 1.00 0.00 C ATOM 329 O SER A 20 -1.056 -7.116 4.542 1.00 0.00 O ATOM 330 CB SER A 20 -3.045 -4.831 5.911 1.00 0.00 C ATOM 331 OG SER A 20 -3.719 -3.577 5.847 1.00 0.00 O ATOM 0 H SER A 20 -4.068 -4.235 3.786 1.00 0.00 H new ATOM 0 HA SER A 20 -1.436 -4.697 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.751 -5.610 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.280 -4.794 6.686 1.00 0.00 H new ATOM 0 HG SER A 20 -4.121 -3.377 6.718 1.00 0.00 H new ATOM 337 N LYS A 21 -3.265 -7.460 4.305 1.00 0.00 N ATOM 338 CA LYS A 21 -3.132 -8.903 4.241 1.00 0.00 C ATOM 339 C LYS A 21 -2.106 -9.314 3.188 1.00 0.00 C ATOM 340 O LYS A 21 -1.215 -10.107 3.468 1.00 0.00 O ATOM 341 CB LYS A 21 -4.495 -9.558 3.980 1.00 0.00 C ATOM 342 CG LYS A 21 -5.336 -9.592 5.268 1.00 0.00 C ATOM 343 CD LYS A 21 -6.147 -10.887 5.398 1.00 0.00 C ATOM 344 CE LYS A 21 -6.506 -11.106 6.869 1.00 0.00 C ATOM 345 NZ LYS A 21 -7.396 -12.262 7.085 1.00 0.00 N ATOM 0 H LYS A 21 -4.217 -7.112 4.188 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.768 -9.256 5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.028 -9.005 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.352 -10.572 3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.679 -9.489 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.014 -8.738 5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.053 -10.826 4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.570 -11.732 5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.590 -11.249 7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.987 -10.208 7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.602 -12.357 8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.284 -12.118 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.930 -13.127 6.744 1.00 0.00 H new ATOM 359 N ALA A 22 -2.195 -8.743 1.987 1.00 0.00 N ATOM 360 CA ALA A 22 -1.247 -9.036 0.928 1.00 0.00 C ATOM 361 C ALA A 22 0.167 -8.545 1.266 1.00 0.00 C ATOM 362 O ALA A 22 1.129 -9.189 0.855 1.00 0.00 O ATOM 363 CB ALA A 22 -1.767 -8.434 -0.376 1.00 0.00 C ATOM 0 H ALA A 22 -2.919 -8.073 1.729 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.162 -10.117 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.064 -8.647 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.737 -8.870 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.872 -7.355 -0.262 1.00 0.00 H new ATOM 369 N LEU A 23 0.323 -7.423 1.986 1.00 0.00 N ATOM 370 CA LEU A 23 1.615 -6.891 2.427 1.00 0.00 C ATOM 371 C LEU A 23 2.281 -7.824 3.439 1.00 0.00 C ATOM 372 O LEU A 23 3.485 -8.053 3.376 1.00 0.00 O ATOM 373 CB LEU A 23 1.463 -5.523 3.112 1.00 0.00 C ATOM 374 CG LEU A 23 1.092 -4.312 2.255 1.00 0.00 C ATOM 375 CD1 LEU A 23 1.111 -3.064 3.137 1.00 0.00 C ATOM 376 CD2 LEU A 23 2.038 -4.098 1.070 1.00 0.00 C ATOM 0 H LEU A 23 -0.467 -6.850 2.283 1.00 0.00 H new ATOM 0 HA LEU A 23 2.223 -6.798 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.704 -5.624 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.404 -5.298 3.614 1.00 0.00 H new ATOM 0 HG LEU A 23 0.101 -4.499 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.848 -2.192 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.390 -3.180 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.108 -2.930 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.719 -3.223 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.052 -3.942 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.017 -4.976 0.425 1.00 0.00 H new ATOM 388 N GLU A 24 1.521 -8.311 4.412 1.00 0.00 N ATOM 389 CA GLU A 24 2.006 -9.166 5.489 1.00 0.00 C ATOM 390 C GLU A 24 2.642 -10.429 4.895 1.00 0.00 C ATOM 391 O GLU A 24 3.739 -10.818 5.292 1.00 0.00 O ATOM 392 CB GLU A 24 0.847 -9.495 6.452 1.00 0.00 C ATOM 393 CG GLU A 24 0.190 -8.231 7.048 1.00 0.00 C ATOM 394 CD GLU A 24 0.495 -7.990 8.516 1.00 0.00 C ATOM 395 OE1 GLU A 24 1.661 -7.675 8.834 1.00 0.00 O ATOM 396 OE2 GLU A 24 -0.469 -7.915 9.315 1.00 0.00 O ATOM 0 H GLU A 24 0.522 -8.117 4.476 1.00 0.00 H new ATOM 0 HA GLU A 24 2.774 -8.649 6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.093 -10.076 5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.220 -10.122 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.518 -7.363 6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.890 -8.306 6.923 1.00 0.00 H new ATOM 403 N GLU A 25 2.016 -11.039 3.883 1.00 0.00 N ATOM 404 CA GLU A 25 2.566 -12.200 3.196 1.00 0.00 C ATOM 405 C GLU A 25 3.774 -11.790 2.346 1.00 0.00 C ATOM 406 O GLU A 25 4.745 -12.546 2.243 1.00 0.00 O ATOM 407 CB GLU A 25 1.490 -12.817 2.297 1.00 0.00 C ATOM 408 CG GLU A 25 0.198 -13.210 3.031 1.00 0.00 C ATOM 409 CD GLU A 25 0.345 -14.289 4.108 1.00 0.00 C ATOM 410 OE1 GLU A 25 0.896 -15.381 3.824 1.00 0.00 O ATOM 411 OE2 GLU A 25 -0.195 -14.088 5.219 1.00 0.00 O ATOM 0 H GLU A 25 1.112 -10.737 3.521 1.00 0.00 H new ATOM 0 HA GLU A 25 2.889 -12.932 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.243 -12.108 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.902 -13.702 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.221 -12.316 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.526 -13.556 2.293 1.00 0.00 H new ATOM 418 N LEU A 26 3.748 -10.574 1.784 1.00 0.00 N ATOM 419 CA LEU A 26 4.860 -9.938 1.070 1.00 0.00 C ATOM 420 C LEU A 26 6.104 -9.878 1.959 1.00 0.00 C ATOM 421 O LEU A 26 7.228 -9.879 1.462 1.00 0.00 O ATOM 422 CB LEU A 26 4.464 -8.508 0.639 1.00 0.00 C ATOM 423 CG LEU A 26 4.753 -8.097 -0.808 1.00 0.00 C ATOM 424 CD1 LEU A 26 3.935 -6.842 -1.139 1.00 0.00 C ATOM 425 CD2 LEU A 26 6.208 -7.744 -1.070 1.00 0.00 C ATOM 0 H LEU A 26 2.917 -9.984 1.817 1.00 0.00 H new ATOM 0 HA LEU A 26 5.086 -10.533 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.395 -8.388 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.976 -7.805 1.296 1.00 0.00 H new ATOM 0 HG LEU A 26 4.493 -8.959 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.133 -6.540 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.873 -7.059 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.217 -6.035 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.332 -7.464 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.500 -6.909 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.837 -8.606 -0.848 1.00 0.00 H new ATOM 437 N GLY A 27 5.919 -9.846 3.280 1.00 0.00 N ATOM 438 CA GLY A 27 6.993 -9.837 4.254 1.00 0.00 C ATOM 439 C GLY A 27 7.479 -8.436 4.571 1.00 0.00 C ATOM 440 O GLY A 27 8.645 -8.274 4.936 1.00 0.00 O ATOM 0 H GLY A 27 4.992 -9.825 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.651 -10.315 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.826 -10.430 3.877 1.00 0.00 H new ATOM 444 N VAL A 28 6.619 -7.430 4.419 1.00 0.00 N ATOM 445 CA VAL A 28 6.901 -6.095 4.917 1.00 0.00 C ATOM 446 C VAL A 28 7.070 -6.163 6.443 1.00 0.00 C ATOM 447 O VAL A 28 6.523 -7.054 7.100 1.00 0.00 O ATOM 448 CB VAL A 28 5.754 -5.164 4.477 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.483 -5.399 5.300 1.00 0.00 C ATOM 450 CG2 VAL A 28 6.152 -3.684 4.538 1.00 0.00 C ATOM 0 H VAL A 28 5.717 -7.521 3.951 1.00 0.00 H new ATOM 0 HA VAL A 28 7.828 -5.693 4.509 1.00 0.00 H new ATOM 0 HB VAL A 28 5.544 -5.414 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.699 -4.723 4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.154 -6.430 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.691 -5.211 6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.311 -3.068 4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.426 -3.423 5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.002 -3.508 3.878 1.00 0.00 H new ATOM 460 N LYS A 29 7.753 -5.182 7.034 1.00 0.00 N ATOM 461 CA LYS A 29 7.877 -5.045 8.479 1.00 0.00 C ATOM 462 C LYS A 29 7.529 -3.659 8.996 1.00 0.00 C ATOM 463 O LYS A 29 7.556 -3.452 10.205 1.00 0.00 O ATOM 464 CB LYS A 29 9.289 -5.495 8.894 1.00 0.00 C ATOM 465 CG LYS A 29 9.257 -6.704 9.828 1.00 0.00 C ATOM 466 CD LYS A 29 10.023 -7.866 9.209 1.00 0.00 C ATOM 467 CE LYS A 29 9.170 -8.516 8.114 1.00 0.00 C ATOM 468 NZ LYS A 29 9.860 -9.638 7.457 1.00 0.00 N ATOM 0 H LYS A 29 8.240 -4.453 6.513 1.00 0.00 H new ATOM 0 HA LYS A 29 7.135 -5.691 8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.867 -5.741 8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.801 -4.669 9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.696 -6.441 10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.225 -6.999 10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.965 -7.512 8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.272 -8.601 9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.236 -8.872 8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.909 -7.766 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.724 -9.575 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.876 -9.596 7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.468 -10.537 7.803 1.00 0.00 H new ATOM 482 N ASN A 30 7.192 -2.710 8.129 1.00 0.00 N ATOM 483 CA ASN A 30 6.683 -1.410 8.528 1.00 0.00 C ATOM 484 C ASN A 30 5.822 -0.934 7.377 1.00 0.00 C ATOM 485 O ASN A 30 6.320 -0.804 6.260 1.00 0.00 O ATOM 486 CB ASN A 30 7.838 -0.446 8.833 1.00 0.00 C ATOM 487 CG ASN A 30 8.171 -0.461 10.309 1.00 0.00 C ATOM 488 OD1 ASN A 30 7.322 -0.160 11.146 1.00 0.00 O ATOM 489 ND2 ASN A 30 9.396 -0.823 10.651 1.00 0.00 N ATOM 0 H ASN A 30 7.267 -2.827 7.118 1.00 0.00 H new ATOM 0 HA ASN A 30 6.097 -1.462 9.445 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.717 -0.729 8.254 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.566 0.564 8.527 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.661 -0.859 11.635 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.076 -1.066 9.931 1.00 0.00 H new ATOM 496 N TYR A 31 4.529 -0.762 7.610 1.00 0.00 N ATOM 497 CA TYR A 31 3.599 -0.215 6.639 1.00 0.00 C ATOM 498 C TYR A 31 2.468 0.498 7.367 1.00 0.00 C ATOM 499 O TYR A 31 2.327 0.375 8.587 1.00 0.00 O ATOM 500 CB TYR A 31 3.053 -1.335 5.746 1.00 0.00 C ATOM 501 CG TYR A 31 2.137 -2.326 6.447 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.671 -3.438 7.116 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.746 -2.120 6.454 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.840 -4.360 7.772 1.00 0.00 C ATOM 505 CE2 TYR A 31 -0.095 -3.009 7.144 1.00 0.00 C ATOM 506 CZ TYR A 31 0.454 -4.129 7.810 1.00 0.00 C ATOM 507 OH TYR A 31 -0.354 -4.959 8.517 1.00 0.00 O ATOM 0 H TYR A 31 4.090 -1.005 8.498 1.00 0.00 H new ATOM 0 HA TYR A 31 4.115 0.505 6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.509 -0.885 4.916 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.894 -1.880 5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.741 -3.587 7.126 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.323 -1.277 5.928 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.261 -5.237 8.242 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.161 -2.837 7.166 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.229 -4.536 8.641 1.00 0.00 H new ATOM 517 N GLU A 32 1.620 1.200 6.620 1.00 0.00 N ATOM 518 CA GLU A 32 0.415 1.825 7.148 1.00 0.00 C ATOM 519 C GLU A 32 -0.629 1.975 6.036 1.00 0.00 C ATOM 520 O GLU A 32 -0.260 1.965 4.865 1.00 0.00 O ATOM 521 CB GLU A 32 0.797 3.174 7.792 1.00 0.00 C ATOM 522 CG GLU A 32 0.467 3.159 9.288 1.00 0.00 C ATOM 523 CD GLU A 32 -1.037 3.282 9.505 1.00 0.00 C ATOM 524 OE1 GLU A 32 -1.756 2.272 9.301 1.00 0.00 O ATOM 525 OE2 GLU A 32 -1.508 4.405 9.786 1.00 0.00 O ATOM 0 H GLU A 32 1.754 1.351 5.620 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.037 1.201 7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.860 3.365 7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.258 3.985 7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.831 2.235 9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.981 3.980 9.788 1.00 0.00 H new ATOM 532 N VAL A 33 -1.918 2.124 6.362 1.00 0.00 N ATOM 533 CA VAL A 33 -3.031 2.260 5.420 1.00 0.00 C ATOM 534 C VAL A 33 -4.106 3.148 6.065 1.00 0.00 C ATOM 535 O VAL A 33 -4.471 2.930 7.223 1.00 0.00 O ATOM 536 CB VAL A 33 -3.628 0.870 5.076 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.688 0.999 3.966 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.603 -0.190 4.633 1.00 0.00 C ATOM 0 H VAL A 33 -2.226 2.154 7.334 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.674 2.712 4.495 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.060 0.523 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.097 0.015 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.490 1.655 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.228 1.418 3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.118 -1.126 4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.085 0.156 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.879 -0.352 5.431 1.00 0.00 H new ATOM 548 N SER A 34 -4.683 4.099 5.324 1.00 0.00 N ATOM 549 CA SER A 34 -5.800 4.928 5.774 1.00 0.00 C ATOM 550 C SER A 34 -6.812 5.150 4.646 1.00 0.00 C ATOM 551 O SER A 34 -6.471 5.726 3.616 1.00 0.00 O ATOM 552 CB SER A 34 -5.263 6.273 6.268 1.00 0.00 C ATOM 553 OG SER A 34 -4.644 6.140 7.533 1.00 0.00 O ATOM 0 H SER A 34 -4.379 4.317 4.375 1.00 0.00 H new ATOM 0 HA SER A 34 -6.312 4.413 6.587 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.546 6.668 5.548 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.079 6.992 6.333 1.00 0.00 H new ATOM 0 HG SER A 34 -4.538 5.190 7.747 1.00 0.00 H new ATOM 559 N VAL A 35 -8.061 4.726 4.865 1.00 0.00 N ATOM 560 CA VAL A 35 -9.249 5.055 4.064 1.00 0.00 C ATOM 561 C VAL A 35 -9.612 6.542 4.103 1.00 0.00 C ATOM 562 O VAL A 35 -10.093 7.086 3.109 1.00 0.00 O ATOM 563 CB VAL A 35 -10.399 4.075 4.425 1.00 0.00 C ATOM 564 CG1 VAL A 35 -10.534 3.809 5.932 1.00 0.00 C ATOM 565 CG2 VAL A 35 -11.771 4.562 3.928 1.00 0.00 C ATOM 0 H VAL A 35 -8.284 4.111 5.647 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.026 4.902 3.008 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.114 3.153 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.357 3.116 6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.608 3.375 6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.733 4.747 6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.537 3.839 4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.000 5.527 4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.749 4.666 2.843 1.00 0.00 H new ATOM 575 N GLU A 36 -9.310 7.219 5.207 1.00 0.00 N ATOM 576 CA GLU A 36 -9.457 8.660 5.357 1.00 0.00 C ATOM 577 C GLU A 36 -8.669 9.377 4.265 1.00 0.00 C ATOM 578 O GLU A 36 -9.232 10.151 3.489 1.00 0.00 O ATOM 579 CB GLU A 36 -8.968 9.019 6.765 1.00 0.00 C ATOM 580 CG GLU A 36 -10.014 8.648 7.824 1.00 0.00 C ATOM 581 CD GLU A 36 -10.782 9.875 8.306 1.00 0.00 C ATOM 582 OE1 GLU A 36 -10.302 10.534 9.263 1.00 0.00 O ATOM 583 OE2 GLU A 36 -11.881 10.144 7.775 1.00 0.00 O ATOM 0 H GLU A 36 -8.946 6.766 6.045 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.494 8.976 5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.034 8.497 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.755 10.087 6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.712 7.921 7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.522 8.170 8.671 1.00 0.00 H new ATOM 590 N GLU A 37 -7.375 9.073 4.175 1.00 0.00 N ATOM 591 CA GLU A 37 -6.453 9.720 3.253 1.00 0.00 C ATOM 592 C GLU A 37 -6.381 9.022 1.887 1.00 0.00 C ATOM 593 O GLU A 37 -5.859 9.618 0.948 1.00 0.00 O ATOM 594 CB GLU A 37 -5.062 9.772 3.907 1.00 0.00 C ATOM 595 CG GLU A 37 -4.861 10.973 4.845 1.00 0.00 C ATOM 596 CD GLU A 37 -4.744 12.336 4.140 1.00 0.00 C ATOM 597 OE1 GLU A 37 -4.574 12.401 2.903 1.00 0.00 O ATOM 598 OE2 GLU A 37 -4.745 13.380 4.837 1.00 0.00 O ATOM 0 H GLU A 37 -6.934 8.357 4.752 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.823 10.726 3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.901 8.853 4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.304 9.803 3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.696 11.013 5.544 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.960 10.807 5.435 1.00 0.00 H new ATOM 605 N LYS A 38 -6.894 7.790 1.746 1.00 0.00 N ATOM 606 CA LYS A 38 -6.636 6.904 0.600 1.00 0.00 C ATOM 607 C LYS A 38 -5.130 6.766 0.336 1.00 0.00 C ATOM 608 O LYS A 38 -4.655 6.767 -0.800 1.00 0.00 O ATOM 609 CB LYS A 38 -7.487 7.328 -0.613 1.00 0.00 C ATOM 610 CG LYS A 38 -8.930 6.815 -0.454 1.00 0.00 C ATOM 611 CD LYS A 38 -9.924 7.464 -1.423 1.00 0.00 C ATOM 612 CE LYS A 38 -10.222 8.915 -1.030 1.00 0.00 C ATOM 613 NZ LYS A 38 -11.202 9.543 -1.938 1.00 0.00 N ATOM 0 H LYS A 38 -7.513 7.373 2.441 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.962 5.890 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.487 8.414 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.051 6.931 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.941 5.736 -0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.261 6.998 0.568 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.520 7.435 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.851 6.891 -1.434 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.603 8.943 -0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.297 9.491 -1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.375 10.523 -1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.828 9.540 -2.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.094 9.009 -1.909 1.00 0.00 H new ATOM 627 N LYS A 39 -4.355 6.602 1.412 1.00 0.00 N ATOM 628 CA LYS A 39 -2.903 6.459 1.358 1.00 0.00 C ATOM 629 C LYS A 39 -2.472 5.146 1.992 1.00 0.00 C ATOM 630 O LYS A 39 -3.171 4.584 2.842 1.00 0.00 O ATOM 631 CB LYS A 39 -2.222 7.683 2.010 1.00 0.00 C ATOM 632 CG LYS A 39 -1.831 8.756 0.973 1.00 0.00 C ATOM 633 CD LYS A 39 -2.198 10.210 1.310 1.00 0.00 C ATOM 634 CE LYS A 39 -1.772 10.722 2.696 1.00 0.00 C ATOM 635 NZ LYS A 39 -0.310 10.820 2.853 1.00 0.00 N ATOM 0 H LYS A 39 -4.729 6.565 2.360 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.582 6.427 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.895 8.121 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.331 7.357 2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.753 8.704 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.300 8.498 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.752 10.858 0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.279 10.318 1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.216 11.703 2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.169 10.055 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.009 10.248 3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.156 10.468 1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.043 11.813 3.010 1.00 0.00 H new ATOM 649 N VAL A 40 -1.287 4.692 1.596 1.00 0.00 N ATOM 650 CA VAL A 40 -0.537 3.595 2.190 1.00 0.00 C ATOM 651 C VAL A 40 0.865 4.132 2.437 1.00 0.00 C ATOM 652 O VAL A 40 1.314 5.004 1.700 1.00 0.00 O ATOM 653 CB VAL A 40 -0.521 2.379 1.235 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.374 1.200 1.644 1.00 0.00 C ATOM 655 CG2 VAL A 40 -1.937 1.849 1.055 1.00 0.00 C ATOM 0 H VAL A 40 -0.797 5.107 0.804 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.986 3.250 3.121 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.091 2.775 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.300 0.411 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.408 1.536 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.050 0.815 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.922 0.992 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.337 1.543 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.567 2.631 0.633 1.00 0.00 H new ATOM 665 N VAL A 41 1.581 3.582 3.409 1.00 0.00 N ATOM 666 CA VAL A 41 3.030 3.669 3.479 1.00 0.00 C ATOM 667 C VAL A 41 3.541 2.233 3.471 1.00 0.00 C ATOM 668 O VAL A 41 2.876 1.348 4.005 1.00 0.00 O ATOM 669 CB VAL A 41 3.485 4.456 4.725 1.00 0.00 C ATOM 670 CG1 VAL A 41 5.010 4.627 4.746 1.00 0.00 C ATOM 671 CG2 VAL A 41 2.893 5.871 4.763 1.00 0.00 C ATOM 0 H VAL A 41 1.165 3.057 4.179 1.00 0.00 H new ATOM 0 HA VAL A 41 3.441 4.220 2.633 1.00 0.00 H new ATOM 0 HB VAL A 41 3.138 3.875 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.301 5.185 5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.486 3.646 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.327 5.171 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.241 6.387 5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.212 6.423 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.805 5.810 4.780 1.00 0.00 H new ATOM 681 N VAL A 42 4.706 1.999 2.881 1.00 0.00 N ATOM 682 CA VAL A 42 5.462 0.761 2.955 1.00 0.00 C ATOM 683 C VAL A 42 6.925 1.138 3.133 1.00 0.00 C ATOM 684 O VAL A 42 7.448 1.947 2.368 1.00 0.00 O ATOM 685 CB VAL A 42 5.254 -0.106 1.697 1.00 0.00 C ATOM 686 CG1 VAL A 42 3.942 -0.893 1.818 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.284 0.705 0.382 1.00 0.00 C ATOM 0 H VAL A 42 5.170 2.705 2.310 1.00 0.00 H new ATOM 0 HA VAL A 42 5.119 0.158 3.796 1.00 0.00 H new ATOM 0 HB VAL A 42 6.096 -0.796 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.800 -1.504 0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.984 -1.537 2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.108 -0.198 1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.131 0.034 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.492 1.454 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.250 1.200 0.282 1.00 0.00 H new ATOM 697 N GLU A 43 7.563 0.589 4.156 1.00 0.00 N ATOM 698 CA GLU A 43 8.989 0.662 4.413 1.00 0.00 C ATOM 699 C GLU A 43 9.582 -0.625 3.843 1.00 0.00 C ATOM 700 O GLU A 43 9.502 -1.703 4.450 1.00 0.00 O ATOM 701 CB GLU A 43 9.201 0.809 5.921 1.00 0.00 C ATOM 702 CG GLU A 43 10.630 1.145 6.366 1.00 0.00 C ATOM 703 CD GLU A 43 10.754 1.034 7.895 1.00 0.00 C ATOM 704 OE1 GLU A 43 10.243 1.952 8.583 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.304 0.023 8.409 1.00 0.00 O ATOM 0 H GLU A 43 7.069 0.051 4.868 1.00 0.00 H new ATOM 0 HA GLU A 43 9.478 1.517 3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.534 1.589 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.900 -0.121 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.336 0.467 5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.890 2.154 6.046 1.00 0.00 H new ATOM 712 N THR A 44 10.108 -0.553 2.623 1.00 0.00 N ATOM 713 CA THR A 44 10.830 -1.676 2.071 1.00 0.00 C ATOM 714 C THR A 44 11.905 -1.180 1.120 1.00 0.00 C ATOM 715 O THR A 44 11.768 -0.144 0.474 1.00 0.00 O ATOM 716 CB THR A 44 9.845 -2.654 1.407 1.00 0.00 C ATOM 717 OG1 THR A 44 10.526 -3.843 1.051 1.00 0.00 O ATOM 718 CG2 THR A 44 9.138 -2.081 0.182 1.00 0.00 C ATOM 0 H THR A 44 10.045 0.262 2.012 1.00 0.00 H new ATOM 0 HA THR A 44 11.337 -2.226 2.864 1.00 0.00 H new ATOM 0 HB THR A 44 9.067 -2.856 2.143 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.898 -4.466 0.630 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.461 -2.829 -0.230 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.570 -1.197 0.470 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.878 -1.808 -0.570 1.00 0.00 H new ATOM 726 N GLU A 45 12.937 -2.003 0.998 1.00 0.00 N ATOM 727 CA GLU A 45 14.076 -1.878 0.108 1.00 0.00 C ATOM 728 C GLU A 45 13.768 -2.497 -1.267 1.00 0.00 C ATOM 729 O GLU A 45 14.661 -2.641 -2.100 1.00 0.00 O ATOM 730 CB GLU A 45 15.234 -2.550 0.863 1.00 0.00 C ATOM 731 CG GLU A 45 16.652 -2.155 0.434 1.00 0.00 C ATOM 732 CD GLU A 45 17.675 -2.386 1.559 1.00 0.00 C ATOM 733 OE1 GLU A 45 17.418 -3.139 2.527 1.00 0.00 O ATOM 734 OE2 GLU A 45 18.767 -1.758 1.512 1.00 0.00 O ATOM 0 H GLU A 45 13.001 -2.846 1.569 1.00 0.00 H new ATOM 0 HA GLU A 45 14.335 -0.846 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.124 -2.327 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.132 -3.630 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.940 -2.733 -0.444 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.664 -1.105 0.142 1.00 0.00 H new ATOM 741 N ASN A 46 12.516 -2.905 -1.520 1.00 0.00 N ATOM 742 CA ASN A 46 12.041 -3.256 -2.854 1.00 0.00 C ATOM 743 C ASN A 46 10.592 -2.827 -3.035 1.00 0.00 C ATOM 744 O ASN A 46 9.665 -3.631 -2.893 1.00 0.00 O ATOM 745 CB ASN A 46 12.262 -4.742 -3.152 1.00 0.00 C ATOM 746 CG ASN A 46 11.787 -5.160 -4.538 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.398 -4.367 -5.388 1.00 0.00 O ATOM 748 ND2 ASN A 46 11.818 -6.449 -4.800 1.00 0.00 N ATOM 0 H ASN A 46 11.804 -2.999 -0.795 1.00 0.00 H new ATOM 0 HA ASN A 46 12.631 -2.708 -3.589 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.324 -4.970 -3.056 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.739 -5.337 -2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.518 -6.791 -5.713 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.142 -7.106 -4.090 1.00 0.00 H new ATOM 755 N LEU A 47 10.413 -1.545 -3.347 1.00 0.00 N ATOM 756 CA LEU A 47 9.122 -0.931 -3.617 1.00 0.00 C ATOM 757 C LEU A 47 8.412 -1.603 -4.788 1.00 0.00 C ATOM 758 O LEU A 47 7.198 -1.776 -4.724 1.00 0.00 O ATOM 759 CB LEU A 47 9.332 0.558 -3.919 1.00 0.00 C ATOM 760 CG LEU A 47 8.024 1.294 -4.262 1.00 0.00 C ATOM 761 CD1 LEU A 47 7.024 1.316 -3.100 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.338 2.713 -4.719 1.00 0.00 C ATOM 0 H LEU A 47 11.189 -0.887 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 47 8.491 -1.053 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.795 1.036 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.028 0.659 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 47 7.546 0.739 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.123 1.849 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.765 0.294 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.472 1.821 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.410 3.231 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.854 3.247 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.975 2.678 -5.603 1.00 0.00 H new ATOM 774 N ASP A 48 9.137 -2.000 -5.839 1.00 0.00 N ATOM 775 CA ASP A 48 8.567 -2.620 -7.024 1.00 0.00 C ATOM 776 C ASP A 48 7.761 -3.860 -6.638 1.00 0.00 C ATOM 777 O ASP A 48 6.646 -4.035 -7.134 1.00 0.00 O ATOM 778 CB ASP A 48 9.683 -2.991 -8.003 1.00 0.00 C ATOM 779 CG ASP A 48 10.283 -1.800 -8.739 1.00 0.00 C ATOM 780 OD1 ASP A 48 11.174 -1.136 -8.154 1.00 0.00 O ATOM 781 OD2 ASP A 48 9.932 -1.590 -9.920 1.00 0.00 O ATOM 0 H ASP A 48 10.151 -1.895 -5.884 1.00 0.00 H new ATOM 0 HA ASP A 48 7.895 -1.911 -7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.475 -3.504 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.290 -3.697 -8.735 1.00 0.00 H new ATOM 786 N SER A 49 8.273 -4.666 -5.692 1.00 0.00 N ATOM 787 CA SER A 49 7.549 -5.806 -5.147 1.00 0.00 C ATOM 788 C SER A 49 6.151 -5.394 -4.672 1.00 0.00 C ATOM 789 O SER A 49 5.164 -6.049 -5.023 1.00 0.00 O ATOM 790 CB SER A 49 8.364 -6.464 -4.035 1.00 0.00 C ATOM 791 OG SER A 49 8.041 -7.832 -3.880 1.00 0.00 O ATOM 0 H SER A 49 9.201 -4.538 -5.290 1.00 0.00 H new ATOM 0 HA SER A 49 7.408 -6.544 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.427 -6.365 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.185 -5.941 -3.096 1.00 0.00 H new ATOM 0 HG SER A 49 8.584 -8.217 -3.161 1.00 0.00 H new ATOM 797 N VAL A 50 6.068 -4.296 -3.911 1.00 0.00 N ATOM 798 CA VAL A 50 4.824 -3.741 -3.400 1.00 0.00 C ATOM 799 C VAL A 50 3.941 -3.293 -4.559 1.00 0.00 C ATOM 800 O VAL A 50 2.810 -3.751 -4.648 1.00 0.00 O ATOM 801 CB VAL A 50 5.057 -2.575 -2.412 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.723 -2.212 -1.748 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.113 -2.886 -1.336 1.00 0.00 C ATOM 0 H VAL A 50 6.890 -3.760 -3.630 1.00 0.00 H new ATOM 0 HA VAL A 50 4.320 -4.529 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 50 5.447 -1.735 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.876 -1.390 -1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.007 -1.910 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.336 -3.078 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.226 -2.025 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.794 -3.750 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.067 -3.104 -1.815 1.00 0.00 H new ATOM 813 N LEU A 51 4.412 -2.385 -5.418 1.00 0.00 N ATOM 814 CA LEU A 51 3.573 -1.748 -6.439 1.00 0.00 C ATOM 815 C LEU A 51 2.924 -2.797 -7.339 1.00 0.00 C ATOM 816 O LEU A 51 1.739 -2.692 -7.668 1.00 0.00 O ATOM 817 CB LEU A 51 4.407 -0.787 -7.295 1.00 0.00 C ATOM 818 CG LEU A 51 4.960 0.410 -6.506 1.00 0.00 C ATOM 819 CD1 LEU A 51 6.072 1.068 -7.325 1.00 0.00 C ATOM 820 CD2 LEU A 51 3.882 1.447 -6.166 1.00 0.00 C ATOM 0 H LEU A 51 5.382 -2.071 -5.426 1.00 0.00 H new ATOM 0 HA LEU A 51 2.790 -1.188 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.238 -1.335 -7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.793 -0.419 -8.117 1.00 0.00 H new ATOM 0 HG LEU A 51 5.345 0.035 -5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.473 1.920 -6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.868 0.345 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.669 1.409 -8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.331 2.269 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.442 1.830 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.106 0.980 -5.560 1.00 0.00 H new ATOM 832 N LYS A 52 3.691 -3.837 -7.670 1.00 0.00 N ATOM 833 CA LYS A 52 3.219 -4.989 -8.407 1.00 0.00 C ATOM 834 C LYS A 52 2.159 -5.729 -7.607 1.00 0.00 C ATOM 835 O LYS A 52 1.081 -5.945 -8.149 1.00 0.00 O ATOM 836 CB LYS A 52 4.403 -5.890 -8.754 1.00 0.00 C ATOM 837 CG LYS A 52 3.994 -7.072 -9.649 1.00 0.00 C ATOM 838 CD LYS A 52 4.614 -6.956 -11.045 1.00 0.00 C ATOM 839 CE LYS A 52 3.875 -7.875 -12.019 1.00 0.00 C ATOM 840 NZ LYS A 52 4.369 -7.706 -13.396 1.00 0.00 N ATOM 0 H LYS A 52 4.679 -3.894 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 52 2.754 -4.666 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.168 -5.302 -9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.849 -6.270 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.309 -8.007 -9.186 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.908 -7.108 -9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.560 -5.924 -11.392 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.670 -7.225 -11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.002 -8.913 -11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.807 -7.660 -11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.848 -8.343 -14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.225 -6.721 -13.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.383 -7.935 -13.432 1.00 0.00 H new ATOM 854 N LYS A 53 2.423 -6.103 -6.344 1.00 0.00 N ATOM 855 CA LYS A 53 1.429 -6.786 -5.518 1.00 0.00 C ATOM 856 C LYS A 53 0.139 -5.965 -5.463 1.00 0.00 C ATOM 857 O LYS A 53 -0.936 -6.539 -5.571 1.00 0.00 O ATOM 858 CB LYS A 53 1.982 -7.064 -4.109 1.00 0.00 C ATOM 859 CG LYS A 53 1.029 -7.923 -3.254 1.00 0.00 C ATOM 860 CD LYS A 53 1.069 -9.427 -3.569 1.00 0.00 C ATOM 861 CE LYS A 53 2.193 -10.145 -2.807 1.00 0.00 C ATOM 862 NZ LYS A 53 3.296 -10.589 -3.685 1.00 0.00 N ATOM 0 H LYS A 53 3.316 -5.942 -5.879 1.00 0.00 H new ATOM 0 HA LYS A 53 1.199 -7.750 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.943 -7.571 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.165 -6.117 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.275 -7.779 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.010 -7.562 -3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.111 -9.877 -3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.209 -9.569 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.591 -9.477 -2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.778 -11.010 -2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.023 -11.066 -3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.927 -11.250 -4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.715 -9.764 -4.160 1.00 0.00 H new ATOM 876 N LEU A 54 0.231 -4.646 -5.301 1.00 0.00 N ATOM 877 CA LEU A 54 -0.908 -3.739 -5.232 1.00 0.00 C ATOM 878 C LEU A 54 -1.757 -3.897 -6.496 1.00 0.00 C ATOM 879 O LEU A 54 -2.969 -4.091 -6.407 1.00 0.00 O ATOM 880 CB LEU A 54 -0.386 -2.307 -4.980 1.00 0.00 C ATOM 881 CG LEU A 54 -0.233 -1.928 -3.488 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.542 -1.407 -2.891 1.00 0.00 C ATOM 883 CD2 LEU A 54 0.260 -3.035 -2.548 1.00 0.00 C ATOM 0 H LEU A 54 1.127 -4.167 -5.212 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.570 -3.975 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.581 -2.196 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.066 -1.599 -5.453 1.00 0.00 H new ATOM 0 HG LEU A 54 0.541 -1.162 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.388 -1.153 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.862 -0.519 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.309 -2.177 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.326 -2.647 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.439 -3.871 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.244 -3.375 -2.871 1.00 0.00 H new ATOM 895 N GLU A 55 -1.140 -3.873 -7.678 1.00 0.00 N ATOM 896 CA GLU A 55 -1.858 -4.034 -8.927 1.00 0.00 C ATOM 897 C GLU A 55 -2.361 -5.480 -9.105 1.00 0.00 C ATOM 898 O GLU A 55 -3.450 -5.698 -9.643 1.00 0.00 O ATOM 899 CB GLU A 55 -0.909 -3.590 -10.044 1.00 0.00 C ATOM 900 CG GLU A 55 -1.655 -3.448 -11.360 1.00 0.00 C ATOM 901 CD GLU A 55 -0.874 -2.595 -12.353 1.00 0.00 C ATOM 902 OE1 GLU A 55 -0.002 -3.143 -13.062 1.00 0.00 O ATOM 903 OE2 GLU A 55 -1.117 -1.369 -12.397 1.00 0.00 O ATOM 0 H GLU A 55 -0.135 -3.742 -7.788 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.759 -3.420 -8.946 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.447 -2.639 -9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.104 -4.316 -10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.833 -4.435 -11.787 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.631 -2.998 -11.180 1.00 0.00 H new ATOM 910 N GLU A 56 -1.622 -6.479 -8.611 1.00 0.00 N ATOM 911 CA GLU A 56 -2.027 -7.883 -8.620 1.00 0.00 C ATOM 912 C GLU A 56 -3.274 -8.120 -7.765 1.00 0.00 C ATOM 913 O GLU A 56 -4.072 -9.006 -8.088 1.00 0.00 O ATOM 914 CB GLU A 56 -0.909 -8.812 -8.116 1.00 0.00 C ATOM 915 CG GLU A 56 0.080 -9.241 -9.204 1.00 0.00 C ATOM 916 CD GLU A 56 0.904 -10.451 -8.748 1.00 0.00 C ATOM 917 OE1 GLU A 56 0.364 -11.590 -8.787 1.00 0.00 O ATOM 918 OE2 GLU A 56 2.062 -10.277 -8.308 1.00 0.00 O ATOM 0 H GLU A 56 -0.707 -6.328 -8.186 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.248 -8.119 -9.661 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.362 -8.307 -7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.360 -9.702 -7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.462 -9.488 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.746 -8.412 -9.443 1.00 0.00 H new ATOM 925 N ILE A 57 -3.462 -7.354 -6.688 1.00 0.00 N ATOM 926 CA ILE A 57 -4.636 -7.467 -5.833 1.00 0.00 C ATOM 927 C ILE A 57 -5.813 -6.649 -6.370 1.00 0.00 C ATOM 928 O ILE A 57 -6.819 -6.573 -5.665 1.00 0.00 O ATOM 929 CB ILE A 57 -4.321 -7.213 -4.339 1.00 0.00 C ATOM 930 CG1 ILE A 57 -3.961 -5.748 -4.022 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.277 -8.209 -3.811 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.187 -5.293 -2.575 1.00 0.00 C ATOM 0 H ILE A 57 -2.801 -6.638 -6.387 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.958 -8.508 -5.870 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.248 -7.393 -3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.911 -5.592 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.543 -5.102 -4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.078 -8.004 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.657 -9.225 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.354 -8.106 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.899 -4.247 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.240 -5.406 -2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.583 -5.903 -1.903 1.00 0.00 H new ATOM 944 N ASP A 58 -5.743 -6.111 -7.595 1.00 0.00 N ATOM 945 CA ASP A 58 -6.770 -5.312 -8.278 1.00 0.00 C ATOM 946 C ASP A 58 -6.852 -3.869 -7.762 1.00 0.00 C ATOM 947 O ASP A 58 -7.904 -3.228 -7.865 1.00 0.00 O ATOM 948 CB ASP A 58 -8.148 -5.993 -8.162 1.00 0.00 C ATOM 949 CG ASP A 58 -9.116 -5.691 -9.301 1.00 0.00 C ATOM 950 OD1 ASP A 58 -8.808 -4.877 -10.195 1.00 0.00 O ATOM 951 OD2 ASP A 58 -10.213 -6.296 -9.301 1.00 0.00 O ATOM 0 H ASP A 58 -4.912 -6.230 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.473 -5.258 -9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.000 -7.072 -8.108 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.609 -5.687 -7.223 1.00 0.00 H new ATOM 956 N TYR A 59 -5.780 -3.368 -7.132 1.00 0.00 N ATOM 957 CA TYR A 59 -5.723 -2.028 -6.560 1.00 0.00 C ATOM 958 C TYR A 59 -4.569 -1.270 -7.251 1.00 0.00 C ATOM 959 O TYR A 59 -3.447 -1.261 -6.732 1.00 0.00 O ATOM 960 CB TYR A 59 -5.531 -2.071 -5.023 1.00 0.00 C ATOM 961 CG TYR A 59 -6.706 -2.495 -4.152 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.509 -3.603 -4.482 1.00 0.00 C ATOM 963 CD2 TYR A 59 -6.989 -1.780 -2.970 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.634 -3.945 -3.724 1.00 0.00 C ATOM 965 CE2 TYR A 59 -8.066 -2.177 -2.160 1.00 0.00 C ATOM 966 CZ TYR A 59 -8.922 -3.220 -2.559 1.00 0.00 C ATOM 967 OH TYR A 59 -10.008 -3.538 -1.814 1.00 0.00 O ATOM 0 H TYR A 59 -4.917 -3.897 -7.007 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.667 -1.511 -6.732 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.702 -2.747 -4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.222 -1.077 -4.700 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.250 -4.204 -5.341 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.382 -0.932 -2.689 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.274 -4.759 -4.033 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.239 -1.675 -1.219 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.532 -2.729 -1.637 1.00 0.00 H new ATOM 977 N PRO A 60 -4.771 -0.648 -8.424 1.00 0.00 N ATOM 978 CA PRO A 60 -3.697 0.019 -9.154 1.00 0.00 C ATOM 979 C PRO A 60 -3.370 1.379 -8.529 1.00 0.00 C ATOM 980 O PRO A 60 -4.245 2.251 -8.457 1.00 0.00 O ATOM 981 CB PRO A 60 -4.199 0.136 -10.592 1.00 0.00 C ATOM 982 CG PRO A 60 -5.719 0.227 -10.422 1.00 0.00 C ATOM 983 CD PRO A 60 -5.997 -0.663 -9.206 1.00 0.00 C ATOM 0 HA PRO A 60 -2.761 -0.539 -9.117 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.795 1.018 -11.090 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.911 -0.728 -11.191 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.043 1.254 -10.250 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.244 -0.129 -11.308 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.837 -0.283 -8.625 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.254 -1.677 -9.513 1.00 0.00 H new ATOM 991 N VAL A 61 -2.153 1.554 -8.010 1.00 0.00 N ATOM 992 CA VAL A 61 -1.728 2.771 -7.316 1.00 0.00 C ATOM 993 C VAL A 61 -1.722 3.926 -8.321 1.00 0.00 C ATOM 994 O VAL A 61 -1.444 3.730 -9.505 1.00 0.00 O ATOM 995 CB VAL A 61 -0.367 2.530 -6.609 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.791 2.173 -7.540 1.00 0.00 C ATOM 997 CG2 VAL A 61 0.059 3.706 -5.723 1.00 0.00 C ATOM 0 H VAL A 61 -1.424 0.843 -8.061 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.423 3.044 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.569 1.655 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.697 2.024 -6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.554 1.257 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.949 2.983 -8.252 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.017 3.480 -5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.155 4.604 -6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.692 3.870 -4.951 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.052 5.136 -7.880 1.00 0.00 N ATOM 1008 CA GLU A 62 -1.977 6.310 -8.730 1.00 0.00 C ATOM 1009 C GLU A 62 -0.500 6.709 -8.851 1.00 0.00 C ATOM 1010 O GLU A 62 0.094 6.571 -9.920 1.00 0.00 O ATOM 1011 CB GLU A 62 -2.889 7.403 -8.166 1.00 0.00 C ATOM 1012 CG GLU A 62 -3.171 8.476 -9.220 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.182 9.515 -8.722 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -5.409 9.248 -8.686 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -3.739 10.626 -8.352 1.00 0.00 O ATOM 0 H GLU A 62 -2.376 5.325 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.341 6.120 -9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.827 6.962 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.421 7.859 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.240 8.975 -9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.552 8.004 -10.126 1.00 0.00 H new ATOM 1022 N SER A 63 0.131 7.129 -7.750 1.00 0.00 N ATOM 1023 CA SER A 63 1.569 7.357 -7.662 1.00 0.00 C ATOM 1024 C SER A 63 2.035 7.154 -6.218 1.00 0.00 C ATOM 1025 O SER A 63 1.225 6.879 -5.330 1.00 0.00 O ATOM 1026 CB SER A 63 1.890 8.767 -8.169 1.00 0.00 C ATOM 1027 OG SER A 63 2.056 8.774 -9.575 1.00 0.00 O ATOM 0 H SER A 63 -0.359 7.323 -6.877 1.00 0.00 H new ATOM 0 HA SER A 63 2.104 6.642 -8.287 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.087 9.449 -7.890 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.799 9.132 -7.690 1.00 0.00 H new ATOM 0 HG SER A 63 1.481 8.089 -9.976 1.00 0.00 H new ATOM 1033 N TYR A 64 3.341 7.276 -5.977 1.00 0.00 N ATOM 1034 CA TYR A 64 3.960 7.243 -4.656 1.00 0.00 C ATOM 1035 C TYR A 64 4.932 8.419 -4.516 1.00 0.00 C ATOM 1036 O TYR A 64 5.144 9.172 -5.471 1.00 0.00 O ATOM 1037 CB TYR A 64 4.666 5.896 -4.434 1.00 0.00 C ATOM 1038 CG TYR A 64 5.708 5.541 -5.479 1.00 0.00 C ATOM 1039 CD1 TYR A 64 7.045 5.981 -5.366 1.00 0.00 C ATOM 1040 CD2 TYR A 64 5.327 4.758 -6.582 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.994 5.644 -6.353 1.00 0.00 C ATOM 1042 CE2 TYR A 64 6.266 4.421 -7.565 1.00 0.00 C ATOM 1043 CZ TYR A 64 7.600 4.864 -7.465 1.00 0.00 C ATOM 1044 OH TYR A 64 8.455 4.555 -8.479 1.00 0.00 O ATOM 0 H TYR A 64 4.020 7.405 -6.727 1.00 0.00 H new ATOM 0 HA TYR A 64 3.192 7.342 -3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.145 5.910 -3.455 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.914 5.108 -4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.343 6.580 -4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.307 4.415 -6.672 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.016 5.980 -6.260 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.965 3.816 -8.407 1.00 0.00 H new ATOM 0 HH TYR A 64 7.988 4.009 -9.146 1.00 0.00 H new ATOM 1054 N GLN A 65 5.531 8.586 -3.336 1.00 0.00 N ATOM 1055 CA GLN A 65 6.692 9.432 -3.104 1.00 0.00 C ATOM 1056 C GLN A 65 7.454 8.890 -1.898 1.00 0.00 C ATOM 1057 O GLN A 65 6.842 8.317 -0.997 1.00 0.00 O ATOM 1058 CB GLN A 65 6.290 10.903 -2.932 1.00 0.00 C ATOM 1059 CG GLN A 65 5.322 11.221 -1.797 1.00 0.00 C ATOM 1060 CD GLN A 65 4.638 12.558 -2.048 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.274 13.609 -1.994 1.00 0.00 O ATOM 1062 NE2 GLN A 65 3.359 12.551 -2.379 1.00 0.00 N ATOM 0 H GLN A 65 5.207 8.118 -2.490 1.00 0.00 H new ATOM 0 HA GLN A 65 7.348 9.406 -3.974 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.197 11.488 -2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.844 11.245 -3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.575 10.432 -1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.859 11.251 -0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.847 11.670 -2.419 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.883 13.427 -2.595 1.00 0.00 H new ATOM 1071 N GLU A 66 8.773 9.036 -1.894 1.00 0.00 N ATOM 1072 CA GLU A 66 9.678 8.649 -0.821 1.00 0.00 C ATOM 1073 C GLU A 66 9.447 9.542 0.402 1.00 0.00 C ATOM 1074 O GLU A 66 9.284 10.755 0.226 1.00 0.00 O ATOM 1075 CB GLU A 66 11.116 8.834 -1.332 1.00 0.00 C ATOM 1076 CG GLU A 66 12.047 7.748 -0.791 1.00 0.00 C ATOM 1077 CD GLU A 66 13.459 8.274 -0.554 1.00 0.00 C ATOM 1078 OE1 GLU A 66 14.042 8.885 -1.485 1.00 0.00 O ATOM 1079 OE2 GLU A 66 13.961 8.097 0.577 1.00 0.00 O ATOM 0 H GLU A 66 9.267 9.451 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 66 9.504 7.613 -0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.122 8.810 -2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.486 9.814 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.644 7.357 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.083 6.917 -1.495 1.00 0.00 H new ATOM 1086 N VAL A 67 9.457 8.984 1.622 1.00 0.00 N ATOM 1087 CA VAL A 67 9.348 9.763 2.865 1.00 0.00 C ATOM 1088 C VAL A 67 10.260 9.187 3.954 1.00 0.00 C ATOM 1089 O VAL A 67 11.001 8.215 3.704 1.00 0.00 O ATOM 1090 CB VAL A 67 7.864 9.943 3.295 1.00 0.00 C ATOM 1091 CG1 VAL A 67 6.990 10.568 2.211 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.121 8.655 3.657 1.00 0.00 C ATOM 0 H VAL A 67 9.541 7.979 1.775 1.00 0.00 H new ATOM 0 HA VAL A 67 9.713 10.774 2.683 1.00 0.00 H new ATOM 0 HB VAL A 67 7.985 10.582 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.968 10.664 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.378 11.554 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.999 9.933 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.096 8.894 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.112 7.986 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.625 8.166 4.491 1.00 0.00 H new TER 1102 VAL A 67