USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 704 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 79 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.437) USER MOD Set 1.2: A 81 ASN : amide:sc= 0.345! C(o=1.5!,f=-7.4!) USER MOD Set 2.1: A 70 MET CE :methyl -165:sc= -20! (180deg=-17.2!) USER MOD Set 2.2: A 87 GLN : amide:sc= -14! C(o=-34!,f=-27!) USER MOD Set 3.1: A 24 MET CE :methyl 176:sc= -11.7! (180deg=-9.61!) USER MOD Set 3.2: A 39 CYS SG : rot -179:sc= -0.11 USER MOD Set 3.3: A 45 CYS SG : rot -143:sc= -16.7! USER MOD Set 3.4: A 47 THR OG1 : rot 180:sc= 0.00135 USER MOD Set 3.5: A 48 CYS SG : rot 143:sc= -0.538 USER MOD Set 3.6: A 86 CYS SG : rot -77:sc= -13.5! USER MOD Set 4.1: A 33 TYR OH : rot 110:sc= -2.81! USER MOD Set 4.2: A 85 SER OG : rot -177:sc= -9.75! USER MOD Set 5.1: A 22 SER OG : rot 180:sc= 0.254 USER MOD Set 5.2: A 25 GLN : amide:sc= -4.25! K(o=-4!,f=-2) USER MOD Single : A 1 SER N :NH3+ -145:sc= 0.988 (180deg=-1.5!) USER MOD Single : A 1 SER OG : rot -71:sc= -2.29! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -103:sc= -6.27! USER MOD Single : A 7 SER OG : rot 118:sc= -5.43! USER MOD Single : A 8 HIS : no HD1:sc= -0.785 X(o=-0.79,f=-0.48) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 73:sc= -0.225 USER MOD Single : A 30 ASN : amide:sc= -7.02! C(o=-7!,f=-7.3!) USER MOD Single : A 42 SER OG : rot -59:sc= 0.896 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -15.7! C(o=-16!,f=-18!) USER MOD Single : A 51 TYR OH : rot 136:sc= -0.77! USER MOD Single : A 53 ASN : amide:sc= -15.7! C(o=-16!,f=-25!) USER MOD Single : A 57 THR OG1 : rot 90:sc= -1.08 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -5.9! K(o=-5.9!,f=-2) USER MOD Single : A 73 CYS SG : rot 34:sc= -7.11! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -70:sc= -6.27! USER MOD Single : A 90 MET CE :methyl 161:sc= -3.95! (180deg=-4.63!) USER MOD Single : A 91 THR OG1 : rot -156:sc= -1.82! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.669 -10.836 -8.713 1.00 0.00 N ATOM 2 CA SER A 1 2.908 -9.555 -9.437 1.00 0.00 C ATOM 3 C SER A 1 4.116 -8.826 -8.841 1.00 0.00 C ATOM 4 O SER A 1 4.345 -8.855 -7.648 1.00 0.00 O ATOM 5 CB SER A 1 1.637 -8.728 -9.230 1.00 0.00 C ATOM 6 OG SER A 1 0.758 -9.420 -8.351 1.00 0.00 O ATOM 0 H1 SER A 1 2.325 -11.554 -9.382 1.00 0.00 H new ATOM 0 H2 SER A 1 3.558 -11.162 -8.282 1.00 0.00 H new ATOM 0 H3 SER A 1 1.958 -10.687 -7.969 1.00 0.00 H new ATOM 0 HA SER A 1 3.119 -9.719 -10.494 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.889 -7.752 -8.815 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.146 -8.551 -10.187 1.00 0.00 H new ATOM 0 HG SER A 1 0.384 -10.201 -8.810 1.00 0.00 H new ATOM 14 N LYS A 2 4.884 -8.167 -9.663 1.00 0.00 N ATOM 15 CA LYS A 2 6.071 -7.427 -9.149 1.00 0.00 C ATOM 16 C LYS A 2 5.612 -6.212 -8.346 1.00 0.00 C ATOM 17 O LYS A 2 4.861 -5.390 -8.831 1.00 0.00 O ATOM 18 CB LYS A 2 6.827 -6.979 -10.398 1.00 0.00 C ATOM 19 CG LYS A 2 8.318 -6.854 -10.077 1.00 0.00 C ATOM 20 CD LYS A 2 9.135 -7.074 -11.352 1.00 0.00 C ATOM 21 CE LYS A 2 9.036 -8.541 -11.775 1.00 0.00 C ATOM 22 NZ LYS A 2 10.371 -9.123 -11.460 1.00 0.00 N ATOM 0 H LYS A 2 4.741 -8.109 -10.671 1.00 0.00 H new ATOM 0 HA LYS A 2 6.691 -8.037 -8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.677 -7.698 -11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.438 -6.023 -10.747 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.530 -5.869 -9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.601 -7.586 -9.320 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.766 -6.429 -12.149 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.177 -6.804 -11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.243 -9.056 -11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.806 -8.631 -12.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.382 -10.129 -11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.105 -8.618 -11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.559 -9.029 -10.441 1.00 0.00 H new ATOM 36 N VAL A 3 6.048 -6.084 -7.124 1.00 0.00 N ATOM 37 CA VAL A 3 5.613 -4.911 -6.317 1.00 0.00 C ATOM 38 C VAL A 3 6.830 -4.105 -5.856 1.00 0.00 C ATOM 39 O VAL A 3 7.830 -4.654 -5.439 1.00 0.00 O ATOM 40 CB VAL A 3 4.858 -5.519 -5.136 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.871 -4.554 -3.957 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.414 -5.776 -5.554 1.00 0.00 C ATOM 0 H VAL A 3 6.679 -6.733 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 3 4.988 -4.216 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 3 5.338 -6.452 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.331 -4.995 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.901 -4.356 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.391 -3.619 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.865 -6.210 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.947 -4.835 -5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.397 -6.466 -6.397 1.00 0.00 H new ATOM 52 N VAL A 4 6.756 -2.802 -5.939 1.00 0.00 N ATOM 53 CA VAL A 4 7.925 -1.968 -5.517 1.00 0.00 C ATOM 54 C VAL A 4 7.565 -0.995 -4.400 1.00 0.00 C ATOM 55 O VAL A 4 6.845 -0.035 -4.593 1.00 0.00 O ATOM 56 CB VAL A 4 8.344 -1.213 -6.760 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.516 -0.285 -6.432 1.00 0.00 C ATOM 58 CG2 VAL A 4 8.762 -2.205 -7.849 1.00 0.00 C ATOM 0 H VAL A 4 5.946 -2.282 -6.277 1.00 0.00 H new ATOM 0 HA VAL A 4 8.723 -2.593 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 4 7.504 -0.617 -7.118 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.814 0.256 -7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.213 0.426 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.357 -0.876 -6.069 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.063 -1.659 -8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.598 -2.806 -7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.922 -2.858 -8.088 1.00 0.00 H new ATOM 68 N TYR A 5 8.088 -1.241 -3.233 1.00 0.00 N ATOM 69 CA TYR A 5 7.812 -0.364 -2.068 1.00 0.00 C ATOM 70 C TYR A 5 8.701 0.860 -2.066 1.00 0.00 C ATOM 71 O TYR A 5 9.903 0.768 -2.189 1.00 0.00 O ATOM 72 CB TYR A 5 8.160 -1.212 -0.852 1.00 0.00 C ATOM 73 CG TYR A 5 7.236 -2.392 -0.755 1.00 0.00 C ATOM 74 CD1 TYR A 5 6.078 -2.431 -1.528 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.507 -3.416 0.155 1.00 0.00 C ATOM 76 CE1 TYR A 5 5.185 -3.496 -1.401 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.614 -4.471 0.296 1.00 0.00 C ATOM 78 CZ TYR A 5 5.446 -4.515 -0.483 1.00 0.00 C ATOM 79 OH TYR A 5 4.560 -5.560 -0.350 1.00 0.00 O ATOM 0 H TYR A 5 8.706 -2.028 -3.036 1.00 0.00 H new ATOM 0 HA TYR A 5 6.779 -0.015 -2.083 1.00 0.00 H new ATOM 0 HB2 TYR A 5 9.192 -1.555 -0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.086 -0.609 0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.871 -1.635 -2.228 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.409 -3.388 0.748 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.295 -3.532 -2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.818 -5.259 1.006 1.00 0.00 H new ATOM 0 HH TYR A 5 4.028 -5.436 0.463 1.00 0.00 H new ATOM 89 N VAL A 6 8.123 1.999 -1.885 1.00 0.00 N ATOM 90 CA VAL A 6 8.959 3.235 -1.825 1.00 0.00 C ATOM 91 C VAL A 6 8.768 3.929 -0.487 1.00 0.00 C ATOM 92 O VAL A 6 7.663 4.193 -0.074 1.00 0.00 O ATOM 93 CB VAL A 6 8.480 4.134 -2.954 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.517 5.235 -3.205 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.311 3.291 -4.206 1.00 0.00 C ATOM 0 H VAL A 6 7.119 2.139 -1.776 1.00 0.00 H new ATOM 0 HA VAL A 6 10.019 3.002 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 6 7.529 4.596 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.174 5.880 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.646 5.827 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.469 4.782 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.967 3.922 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.266 2.839 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.578 2.506 -4.020 1.00 0.00 H new ATOM 105 N SER A 7 9.827 4.246 0.191 1.00 0.00 N ATOM 106 CA SER A 7 9.666 4.940 1.488 1.00 0.00 C ATOM 107 C SER A 7 9.398 6.415 1.217 1.00 0.00 C ATOM 108 O SER A 7 9.009 6.793 0.130 1.00 0.00 O ATOM 109 CB SER A 7 10.999 4.757 2.209 1.00 0.00 C ATOM 110 OG SER A 7 12.056 5.160 1.347 1.00 0.00 O ATOM 0 H SER A 7 10.788 4.057 -0.093 1.00 0.00 H new ATOM 0 HA SER A 7 8.840 4.551 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.015 5.348 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.129 3.715 2.500 1.00 0.00 H new ATOM 0 HG SER A 7 12.532 5.918 1.746 1.00 0.00 H new ATOM 116 N HIS A 8 9.621 7.253 2.176 1.00 0.00 N ATOM 117 CA HIS A 8 9.396 8.707 1.940 1.00 0.00 C ATOM 118 C HIS A 8 10.745 9.384 1.700 1.00 0.00 C ATOM 119 O HIS A 8 10.821 10.514 1.261 1.00 0.00 O ATOM 120 CB HIS A 8 8.693 9.257 3.190 1.00 0.00 C ATOM 121 CG HIS A 8 9.140 8.529 4.421 1.00 0.00 C ATOM 122 ND1 HIS A 8 8.245 7.842 5.205 1.00 0.00 N ATOM 123 CD2 HIS A 8 10.368 8.369 5.011 1.00 0.00 C ATOM 124 CE1 HIS A 8 8.932 7.295 6.225 1.00 0.00 C ATOM 125 NE2 HIS A 8 10.235 7.586 6.155 1.00 0.00 N ATOM 0 H HIS A 8 9.947 7.004 3.110 1.00 0.00 H new ATOM 0 HA HIS A 8 8.776 8.895 1.063 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.908 10.321 3.294 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.613 9.159 3.077 1.00 0.00 H new ATOM 0 HD2 HIS A 8 11.295 8.786 4.645 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.486 6.695 7.004 1.00 0.00 H new ATOM 0 HE2 HIS A 8 10.971 7.297 6.799 1.00 0.00 H new ATOM 133 N ASP A 9 11.816 8.679 1.962 1.00 0.00 N ATOM 134 CA ASP A 9 13.170 9.250 1.728 1.00 0.00 C ATOM 135 C ASP A 9 13.734 8.710 0.408 1.00 0.00 C ATOM 136 O ASP A 9 14.826 9.052 0.002 1.00 0.00 O ATOM 137 CB ASP A 9 14.013 8.775 2.911 1.00 0.00 C ATOM 138 CG ASP A 9 14.296 7.278 2.770 1.00 0.00 C ATOM 139 OD1 ASP A 9 13.448 6.496 3.169 1.00 0.00 O ATOM 140 OD2 ASP A 9 15.353 6.940 2.265 1.00 0.00 O ATOM 0 H ASP A 9 11.807 7.728 2.330 1.00 0.00 H new ATOM 0 HA ASP A 9 13.160 10.337 1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.950 9.331 2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.488 8.970 3.846 1.00 0.00 H new ATOM 145 N GLY A 10 12.992 7.867 -0.266 1.00 0.00 N ATOM 146 CA GLY A 10 13.480 7.305 -1.558 1.00 0.00 C ATOM 147 C GLY A 10 13.800 5.815 -1.399 1.00 0.00 C ATOM 148 O GLY A 10 13.861 5.081 -2.365 1.00 0.00 O ATOM 0 H GLY A 10 12.069 7.545 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.724 7.442 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.370 7.843 -1.884 1.00 0.00 H new ATOM 152 N THR A 11 14.002 5.356 -0.192 1.00 0.00 N ATOM 153 CA THR A 11 14.310 3.921 0.011 1.00 0.00 C ATOM 154 C THR A 11 13.285 3.076 -0.740 1.00 0.00 C ATOM 155 O THR A 11 12.119 3.408 -0.824 1.00 0.00 O ATOM 156 CB THR A 11 14.248 3.712 1.538 1.00 0.00 C ATOM 157 OG1 THR A 11 15.531 3.317 2.004 1.00 0.00 O ATOM 158 CG2 THR A 11 13.224 2.630 1.915 1.00 0.00 C ATOM 0 H THR A 11 13.966 5.918 0.659 1.00 0.00 H new ATOM 0 HA THR A 11 15.286 3.625 -0.372 1.00 0.00 H new ATOM 0 HB THR A 11 13.941 4.650 2.000 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.500 3.184 2.974 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.206 2.508 2.998 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.235 2.928 1.567 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.504 1.686 1.448 1.00 0.00 H new ATOM 166 N ARG A 12 13.727 1.997 -1.293 1.00 0.00 N ATOM 167 CA ARG A 12 12.801 1.116 -2.064 1.00 0.00 C ATOM 168 C ARG A 12 12.816 -0.320 -1.522 1.00 0.00 C ATOM 169 O ARG A 12 13.853 -0.862 -1.191 1.00 0.00 O ATOM 170 CB ARG A 12 13.333 1.149 -3.497 1.00 0.00 C ATOM 171 CG ARG A 12 12.658 2.286 -4.266 1.00 0.00 C ATOM 172 CD ARG A 12 13.249 2.372 -5.675 1.00 0.00 C ATOM 173 NE ARG A 12 13.300 3.828 -5.983 1.00 0.00 N ATOM 174 CZ ARG A 12 13.851 4.241 -7.091 1.00 0.00 C ATOM 175 NH1 ARG A 12 14.108 3.394 -8.049 1.00 0.00 N ATOM 176 NH2 ARG A 12 14.148 5.504 -7.240 1.00 0.00 N ATOM 0 H ARG A 12 14.694 1.676 -1.250 1.00 0.00 H new ATOM 0 HA ARG A 12 11.768 1.458 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.414 1.291 -3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.139 0.197 -3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.583 2.114 -4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.803 3.230 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.242 1.925 -5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.630 1.837 -6.396 1.00 0.00 H new ATOM 0 HE ARG A 12 12.904 4.502 -5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.878 2.407 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.539 3.719 -8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.949 6.167 -6.490 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.579 5.828 -8.106 1.00 0.00 H new ATOM 190 N ARG A 13 11.668 -0.942 -1.442 1.00 0.00 N ATOM 191 CA ARG A 13 11.592 -2.348 -0.937 1.00 0.00 C ATOM 192 C ARG A 13 10.577 -3.137 -1.768 1.00 0.00 C ATOM 193 O ARG A 13 9.528 -3.513 -1.300 1.00 0.00 O ATOM 194 CB ARG A 13 11.115 -2.228 0.504 1.00 0.00 C ATOM 195 CG ARG A 13 11.732 -3.345 1.346 1.00 0.00 C ATOM 196 CD ARG A 13 12.219 -2.771 2.679 1.00 0.00 C ATOM 197 NE ARG A 13 13.149 -3.798 3.223 1.00 0.00 N ATOM 198 CZ ARG A 13 12.742 -5.027 3.384 1.00 0.00 C ATOM 199 NH1 ARG A 13 12.670 -5.831 2.358 1.00 0.00 N ATOM 200 NH2 ARG A 13 12.405 -5.454 4.571 1.00 0.00 N ATOM 0 H ARG A 13 10.772 -0.533 -1.707 1.00 0.00 H new ATOM 0 HA ARG A 13 12.548 -2.868 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.395 -1.256 0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.027 -2.288 0.543 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.997 -4.130 1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.563 -3.802 0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.725 -1.816 2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.387 -2.592 3.360 1.00 0.00 H new ATOM 0 HE ARG A 13 14.105 -3.541 3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.932 -5.498 1.430 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.352 -6.792 2.484 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.460 -4.827 5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.087 -6.415 4.696 1.00 0.00 H new ATOM 214 N GLU A 14 10.875 -3.373 -2.998 1.00 0.00 N ATOM 215 CA GLU A 14 9.919 -4.103 -3.881 1.00 0.00 C ATOM 216 C GLU A 14 9.768 -5.551 -3.436 1.00 0.00 C ATOM 217 O GLU A 14 10.714 -6.201 -3.038 1.00 0.00 O ATOM 218 CB GLU A 14 10.548 -4.040 -5.273 1.00 0.00 C ATOM 219 CG GLU A 14 11.038 -2.617 -5.552 1.00 0.00 C ATOM 220 CD GLU A 14 12.567 -2.586 -5.508 1.00 0.00 C ATOM 221 OE1 GLU A 14 13.129 -3.243 -4.647 1.00 0.00 O ATOM 222 OE2 GLU A 14 13.149 -1.906 -6.336 1.00 0.00 O ATOM 0 H GLU A 14 11.747 -3.093 -3.446 1.00 0.00 H new ATOM 0 HA GLU A 14 8.922 -3.663 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.380 -4.741 -5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.819 -4.338 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.685 -2.284 -6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.628 -1.928 -4.813 1.00 0.00 H new ATOM 229 N LEU A 15 8.567 -6.057 -3.500 1.00 0.00 N ATOM 230 CA LEU A 15 8.325 -7.460 -3.080 1.00 0.00 C ATOM 231 C LEU A 15 8.015 -8.322 -4.295 1.00 0.00 C ATOM 232 O LEU A 15 7.433 -7.869 -5.260 1.00 0.00 O ATOM 233 CB LEU A 15 7.074 -7.418 -2.187 1.00 0.00 C ATOM 234 CG LEU A 15 7.424 -7.224 -0.707 1.00 0.00 C ATOM 235 CD1 LEU A 15 6.169 -7.438 0.132 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.422 -8.261 -0.235 1.00 0.00 C ATOM 0 H LEU A 15 7.742 -5.555 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 15 9.195 -7.874 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.424 -6.607 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.513 -8.345 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 15 7.838 -6.221 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.409 -7.302 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.407 -6.717 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.793 -8.449 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.649 -8.095 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.999 -9.257 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.338 -8.178 -0.821 1.00 0.00 H new ATOM 248 N ASP A 16 8.343 -9.574 -4.232 1.00 0.00 N ATOM 249 CA ASP A 16 8.004 -10.476 -5.356 1.00 0.00 C ATOM 250 C ASP A 16 6.740 -11.219 -4.943 1.00 0.00 C ATOM 251 O ASP A 16 6.789 -12.287 -4.364 1.00 0.00 O ATOM 252 CB ASP A 16 9.191 -11.429 -5.497 1.00 0.00 C ATOM 253 CG ASP A 16 8.950 -12.376 -6.673 1.00 0.00 C ATOM 254 OD1 ASP A 16 8.030 -13.173 -6.588 1.00 0.00 O ATOM 255 OD2 ASP A 16 9.689 -12.289 -7.640 1.00 0.00 O ATOM 0 H ASP A 16 8.831 -10.013 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 16 7.826 -9.969 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.109 -10.862 -5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.323 -12.000 -4.578 1.00 0.00 H new ATOM 260 N VAL A 17 5.609 -10.626 -5.186 1.00 0.00 N ATOM 261 CA VAL A 17 4.332 -11.249 -4.754 1.00 0.00 C ATOM 262 C VAL A 17 3.658 -11.986 -5.904 1.00 0.00 C ATOM 263 O VAL A 17 4.069 -11.901 -7.044 1.00 0.00 O ATOM 264 CB VAL A 17 3.474 -10.064 -4.312 1.00 0.00 C ATOM 265 CG1 VAL A 17 2.023 -10.510 -4.153 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.993 -9.531 -2.975 1.00 0.00 C ATOM 0 H VAL A 17 5.513 -9.732 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 17 4.482 -11.988 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 17 3.529 -9.278 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.414 -9.663 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.652 -10.889 -5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.965 -11.298 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.382 -8.686 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.939 -10.319 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.028 -9.208 -3.089 1.00 0.00 H new ATOM 276 N ALA A 18 2.624 -12.717 -5.602 1.00 0.00 N ATOM 277 CA ALA A 18 1.911 -13.477 -6.669 1.00 0.00 C ATOM 278 C ALA A 18 0.460 -13.005 -6.783 1.00 0.00 C ATOM 279 O ALA A 18 0.173 -11.828 -6.716 1.00 0.00 O ATOM 280 CB ALA A 18 1.959 -14.936 -6.223 1.00 0.00 C ATOM 0 H ALA A 18 2.240 -12.823 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 18 2.371 -13.333 -7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.452 -15.559 -6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.997 -15.254 -6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.461 -15.038 -5.259 1.00 0.00 H new ATOM 286 N ASP A 19 -0.454 -13.920 -6.964 1.00 0.00 N ATOM 287 CA ASP A 19 -1.880 -13.544 -7.093 1.00 0.00 C ATOM 288 C ASP A 19 -2.638 -13.898 -5.811 1.00 0.00 C ATOM 289 O ASP A 19 -2.619 -15.025 -5.356 1.00 0.00 O ATOM 290 CB ASP A 19 -2.377 -14.373 -8.281 1.00 0.00 C ATOM 291 CG ASP A 19 -2.752 -15.786 -7.821 1.00 0.00 C ATOM 292 OD1 ASP A 19 -1.848 -16.555 -7.537 1.00 0.00 O ATOM 293 OD2 ASP A 19 -3.937 -16.073 -7.760 1.00 0.00 O ATOM 0 H ASP A 19 -0.266 -14.920 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.029 -12.475 -7.248 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.242 -13.889 -8.735 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.603 -14.425 -9.046 1.00 0.00 H new ATOM 298 N GLY A 20 -3.310 -12.948 -5.234 1.00 0.00 N ATOM 299 CA GLY A 20 -4.078 -13.227 -3.988 1.00 0.00 C ATOM 300 C GLY A 20 -3.425 -12.530 -2.791 1.00 0.00 C ATOM 301 O GLY A 20 -3.967 -12.523 -1.705 1.00 0.00 O ATOM 0 H GLY A 20 -3.363 -11.986 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.106 -12.882 -4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.120 -14.302 -3.812 1.00 0.00 H new ATOM 305 N VAL A 21 -2.277 -11.935 -2.972 1.00 0.00 N ATOM 306 CA VAL A 21 -1.628 -11.239 -1.822 1.00 0.00 C ATOM 307 C VAL A 21 -1.835 -9.730 -1.934 1.00 0.00 C ATOM 308 O VAL A 21 -2.297 -9.220 -2.933 1.00 0.00 O ATOM 309 CB VAL A 21 -0.137 -11.552 -1.917 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.602 -10.898 -0.749 1.00 0.00 C ATOM 311 CG2 VAL A 21 0.096 -13.061 -1.867 1.00 0.00 C ATOM 0 H VAL A 21 -1.765 -11.900 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.053 -11.570 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 21 0.238 -11.161 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.666 -11.123 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.457 -9.818 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.211 -11.285 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.164 -13.267 -1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.290 -13.458 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.420 -13.537 -2.701 1.00 0.00 H new ATOM 321 N SER A 22 -1.479 -9.022 -0.909 1.00 0.00 N ATOM 322 CA SER A 22 -1.620 -7.539 -0.914 1.00 0.00 C ATOM 323 C SER A 22 -0.245 -6.897 -0.704 1.00 0.00 C ATOM 324 O SER A 22 0.667 -7.529 -0.211 1.00 0.00 O ATOM 325 CB SER A 22 -2.548 -7.228 0.262 1.00 0.00 C ATOM 326 OG SER A 22 -2.766 -8.411 1.023 1.00 0.00 O ATOM 0 H SER A 22 -1.089 -9.410 -0.050 1.00 0.00 H new ATOM 0 HA SER A 22 -2.018 -7.154 -1.853 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.108 -6.454 0.891 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.498 -6.839 -0.104 1.00 0.00 H new ATOM 0 HG SER A 22 -3.359 -8.210 1.777 1.00 0.00 H new ATOM 332 N LEU A 23 -0.078 -5.649 -1.057 1.00 0.00 N ATOM 333 CA LEU A 23 1.253 -5.006 -0.845 1.00 0.00 C ATOM 334 C LEU A 23 1.654 -5.142 0.615 1.00 0.00 C ATOM 335 O LEU A 23 2.803 -4.996 0.973 1.00 0.00 O ATOM 336 CB LEU A 23 1.076 -3.525 -1.192 1.00 0.00 C ATOM 337 CG LEU A 23 0.579 -3.380 -2.633 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.772 -1.935 -3.094 1.00 0.00 C ATOM 339 CD2 LEU A 23 1.376 -4.312 -3.549 1.00 0.00 C ATOM 0 H LEU A 23 -0.793 -5.055 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 23 2.024 -5.470 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.365 -3.065 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.023 -2.999 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.478 -3.643 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.419 -1.830 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.205 -1.267 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.830 -1.676 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.020 -4.207 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.433 -4.050 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.243 -5.344 -3.223 1.00 0.00 H new ATOM 351 N MET A 24 0.718 -5.413 1.469 1.00 0.00 N ATOM 352 CA MET A 24 1.072 -5.548 2.896 1.00 0.00 C ATOM 353 C MET A 24 1.422 -6.984 3.215 1.00 0.00 C ATOM 354 O MET A 24 2.500 -7.279 3.671 1.00 0.00 O ATOM 355 CB MET A 24 -0.166 -5.126 3.677 1.00 0.00 C ATOM 356 CG MET A 24 0.048 -5.446 5.155 1.00 0.00 C ATOM 357 SD MET A 24 -1.240 -6.569 5.739 1.00 0.00 S ATOM 358 CE MET A 24 -0.880 -6.381 7.501 1.00 0.00 C ATOM 0 H MET A 24 -0.268 -5.546 1.243 1.00 0.00 H new ATOM 0 HA MET A 24 1.937 -4.936 3.152 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.350 -4.060 3.545 1.00 0.00 H new ATOM 0 HB3 MET A 24 -1.045 -5.650 3.301 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.029 -5.899 5.299 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.033 -4.527 5.740 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.611 -6.941 8.084 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.120 -6.762 7.711 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.931 -5.327 7.772 1.00 0.00 H new ATOM 368 N GLN A 25 0.515 -7.867 2.974 1.00 0.00 N ATOM 369 CA GLN A 25 0.755 -9.300 3.263 1.00 0.00 C ATOM 370 C GLN A 25 2.201 -9.691 2.917 1.00 0.00 C ATOM 371 O GLN A 25 2.972 -10.031 3.791 1.00 0.00 O ATOM 372 CB GLN A 25 -0.234 -9.987 2.341 1.00 0.00 C ATOM 373 CG GLN A 25 -0.141 -11.504 2.475 1.00 0.00 C ATOM 374 CD GLN A 25 -1.424 -12.139 1.927 1.00 0.00 C ATOM 375 OE1 GLN A 25 -1.642 -13.324 2.087 1.00 0.00 O ATOM 376 NE2 GLN A 25 -2.296 -11.398 1.283 1.00 0.00 N ATOM 0 H GLN A 25 -0.403 -7.658 2.581 1.00 0.00 H new ATOM 0 HA GLN A 25 0.626 -9.565 4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.246 -9.659 2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.037 -9.696 1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.725 -11.877 1.929 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.002 -11.781 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.118 -10.403 1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.152 -11.817 0.920 1.00 0.00 H new ATOM 385 N ALA A 26 2.595 -9.639 1.666 1.00 0.00 N ATOM 386 CA ALA A 26 4.008 -10.006 1.347 1.00 0.00 C ATOM 387 C ALA A 26 4.931 -9.259 2.320 1.00 0.00 C ATOM 388 O ALA A 26 5.703 -9.858 3.043 1.00 0.00 O ATOM 389 CB ALA A 26 4.257 -9.572 -0.105 1.00 0.00 C ATOM 0 H ALA A 26 2.016 -9.366 0.872 1.00 0.00 H new ATOM 0 HA ALA A 26 4.200 -11.074 1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.280 -9.819 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.562 -10.092 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.106 -8.496 -0.194 1.00 0.00 H new ATOM 395 N ALA A 27 4.829 -7.951 2.370 1.00 0.00 N ATOM 396 CA ALA A 27 5.670 -7.167 3.327 1.00 0.00 C ATOM 397 C ALA A 27 5.476 -7.762 4.723 1.00 0.00 C ATOM 398 O ALA A 27 6.406 -8.193 5.374 1.00 0.00 O ATOM 399 CB ALA A 27 5.107 -5.740 3.260 1.00 0.00 C ATOM 0 H ALA A 27 4.201 -7.395 1.790 1.00 0.00 H new ATOM 0 HA ALA A 27 6.735 -7.183 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.669 -5.095 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.194 -5.362 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.058 -5.748 3.556 1.00 0.00 H new ATOM 405 N VAL A 28 4.245 -7.820 5.147 1.00 0.00 N ATOM 406 CA VAL A 28 3.893 -8.421 6.462 1.00 0.00 C ATOM 407 C VAL A 28 4.787 -9.639 6.723 1.00 0.00 C ATOM 408 O VAL A 28 5.371 -9.778 7.780 1.00 0.00 O ATOM 409 CB VAL A 28 2.414 -8.786 6.267 1.00 0.00 C ATOM 410 CG1 VAL A 28 2.176 -10.291 6.443 1.00 0.00 C ATOM 411 CG2 VAL A 28 1.566 -8.031 7.270 1.00 0.00 C ATOM 0 H VAL A 28 3.446 -7.465 4.621 1.00 0.00 H new ATOM 0 HA VAL A 28 4.041 -7.774 7.327 1.00 0.00 H new ATOM 0 HB VAL A 28 2.135 -8.510 5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.118 -10.512 6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.765 -10.841 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.475 -10.592 7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.517 -8.292 7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.874 -8.298 8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.696 -6.959 7.122 1.00 0.00 H new ATOM 421 N SER A 29 4.918 -10.502 5.760 1.00 0.00 N ATOM 422 CA SER A 29 5.799 -11.690 5.941 1.00 0.00 C ATOM 423 C SER A 29 7.244 -11.272 5.727 1.00 0.00 C ATOM 424 O SER A 29 8.133 -11.631 6.473 1.00 0.00 O ATOM 425 CB SER A 29 5.410 -12.657 4.846 1.00 0.00 C ATOM 426 OG SER A 29 4.358 -12.104 4.064 1.00 0.00 O ATOM 0 H SER A 29 4.454 -10.439 4.854 1.00 0.00 H new ATOM 0 HA SER A 29 5.696 -12.126 6.935 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.272 -12.870 4.214 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.092 -13.604 5.281 1.00 0.00 H new ATOM 0 HG SER A 29 4.712 -11.382 3.504 1.00 0.00 H new ATOM 432 N ASN A 30 7.474 -10.492 4.708 1.00 0.00 N ATOM 433 CA ASN A 30 8.849 -10.009 4.422 1.00 0.00 C ATOM 434 C ASN A 30 9.367 -9.208 5.619 1.00 0.00 C ATOM 435 O ASN A 30 10.522 -8.841 5.683 1.00 0.00 O ATOM 436 CB ASN A 30 8.689 -9.123 3.184 1.00 0.00 C ATOM 437 CG ASN A 30 9.078 -9.918 1.937 1.00 0.00 C ATOM 438 OD1 ASN A 30 10.146 -9.728 1.389 1.00 0.00 O ATOM 439 ND2 ASN A 30 8.250 -10.808 1.464 1.00 0.00 N ATOM 0 H ASN A 30 6.760 -10.167 4.056 1.00 0.00 H new ATOM 0 HA ASN A 30 9.565 -10.813 4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.659 -8.777 3.101 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.317 -8.236 3.274 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.499 -11.345 0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.354 -10.967 1.925 1.00 0.00 H new ATOM 446 N GLY A 31 8.513 -8.943 6.575 1.00 0.00 N ATOM 447 CA GLY A 31 8.951 -8.175 7.782 1.00 0.00 C ATOM 448 C GLY A 31 8.913 -6.677 7.503 1.00 0.00 C ATOM 449 O GLY A 31 8.886 -5.875 8.415 1.00 0.00 O ATOM 0 H GLY A 31 7.533 -9.224 6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.302 -8.411 8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.961 -8.473 8.064 1.00 0.00 H new ATOM 453 N ILE A 32 8.890 -6.279 6.262 1.00 0.00 N ATOM 454 CA ILE A 32 8.828 -4.819 5.979 1.00 0.00 C ATOM 455 C ILE A 32 7.711 -4.229 6.835 1.00 0.00 C ATOM 456 O ILE A 32 7.726 -3.072 7.206 1.00 0.00 O ATOM 457 CB ILE A 32 8.458 -4.680 4.495 1.00 0.00 C ATOM 458 CG1 ILE A 32 9.420 -5.477 3.609 1.00 0.00 C ATOM 459 CG2 ILE A 32 8.518 -3.201 4.092 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.867 -5.500 2.184 1.00 0.00 C ATOM 0 H ILE A 32 8.911 -6.889 5.445 1.00 0.00 H new ATOM 0 HA ILE A 32 9.768 -4.311 6.196 1.00 0.00 H new ATOM 0 HB ILE A 32 7.450 -5.072 4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.411 -5.023 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.530 -6.493 3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.256 -3.100 3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.814 -2.630 4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.527 -2.821 4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.542 -6.065 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.885 -5.972 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.779 -4.479 1.811 1.00 0.00 H new ATOM 472 N TYR A 33 6.718 -5.032 7.108 1.00 0.00 N ATOM 473 CA TYR A 33 5.548 -4.561 7.894 1.00 0.00 C ATOM 474 C TYR A 33 5.581 -4.976 9.361 1.00 0.00 C ATOM 475 O TYR A 33 4.635 -5.559 9.853 1.00 0.00 O ATOM 476 CB TYR A 33 4.366 -5.231 7.227 1.00 0.00 C ATOM 477 CG TYR A 33 3.897 -4.374 6.112 1.00 0.00 C ATOM 478 CD1 TYR A 33 4.819 -3.697 5.308 1.00 0.00 C ATOM 479 CD2 TYR A 33 2.538 -4.262 5.877 1.00 0.00 C ATOM 480 CE1 TYR A 33 4.367 -2.900 4.257 1.00 0.00 C ATOM 481 CE2 TYR A 33 2.081 -3.472 4.837 1.00 0.00 C ATOM 482 CZ TYR A 33 2.990 -2.782 4.016 1.00 0.00 C ATOM 483 OH TYR A 33 2.531 -1.995 2.980 1.00 0.00 O ATOM 0 H TYR A 33 6.670 -6.008 6.814 1.00 0.00 H new ATOM 0 HA TYR A 33 5.518 -3.471 7.902 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.651 -6.214 6.853 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.563 -5.385 7.948 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.878 -3.791 5.500 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.835 -4.790 6.504 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.074 -2.376 3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.020 -3.385 4.655 1.00 0.00 H new ATOM 0 HH TYR A 33 2.160 -2.566 2.275 1.00 0.00 H new ATOM 559 N CYS A 39 -5.473 -4.491 11.223 1.00 0.00 N ATOM 560 CA CYS A 39 -6.156 -5.189 10.083 1.00 0.00 C ATOM 561 C CYS A 39 -6.226 -6.689 10.349 1.00 0.00 C ATOM 562 O CYS A 39 -6.935 -7.412 9.680 1.00 0.00 O ATOM 563 CB CYS A 39 -5.292 -4.939 8.852 1.00 0.00 C ATOM 564 SG CYS A 39 -3.539 -5.118 9.266 1.00 0.00 S ATOM 0 HA CYS A 39 -7.173 -4.819 9.951 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.560 -5.642 8.063 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.481 -3.938 8.465 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.818 -4.881 8.211 1.00 0.00 H new ATOM 569 N GLY A 40 -5.481 -7.170 11.305 1.00 0.00 N ATOM 570 CA GLY A 40 -5.500 -8.630 11.578 1.00 0.00 C ATOM 571 C GLY A 40 -5.335 -9.359 10.247 1.00 0.00 C ATOM 572 O GLY A 40 -5.761 -10.485 10.081 1.00 0.00 O ATOM 0 H GLY A 40 -4.865 -6.619 11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.697 -8.900 12.263 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.437 -8.916 12.056 1.00 0.00 H new ATOM 576 N GLY A 41 -4.722 -8.710 9.293 1.00 0.00 N ATOM 577 CA GLY A 41 -4.528 -9.340 7.960 1.00 0.00 C ATOM 578 C GLY A 41 -5.855 -9.336 7.200 1.00 0.00 C ATOM 579 O GLY A 41 -6.109 -10.196 6.381 1.00 0.00 O ATOM 0 H GLY A 41 -4.346 -7.766 9.383 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.771 -8.796 7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.166 -10.361 8.077 1.00 0.00 H new ATOM 583 N SER A 42 -6.712 -8.381 7.463 1.00 0.00 N ATOM 584 CA SER A 42 -8.017 -8.355 6.743 1.00 0.00 C ATOM 585 C SER A 42 -8.432 -6.933 6.360 1.00 0.00 C ATOM 586 O SER A 42 -9.602 -6.640 6.211 1.00 0.00 O ATOM 587 CB SER A 42 -9.023 -8.969 7.714 1.00 0.00 C ATOM 588 OG SER A 42 -9.478 -7.969 8.615 1.00 0.00 O ATOM 0 H SER A 42 -6.566 -7.629 8.136 1.00 0.00 H new ATOM 0 HA SER A 42 -7.958 -8.906 5.804 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.865 -9.390 7.165 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.560 -9.788 8.265 1.00 0.00 H new ATOM 0 HG SER A 42 -8.715 -7.604 9.110 1.00 0.00 H new ATOM 594 N ALA A 43 -7.491 -6.060 6.162 1.00 0.00 N ATOM 595 CA ALA A 43 -7.838 -4.670 5.745 1.00 0.00 C ATOM 596 C ALA A 43 -8.588 -3.907 6.837 1.00 0.00 C ATOM 597 O ALA A 43 -9.559 -3.225 6.581 1.00 0.00 O ATOM 598 CB ALA A 43 -8.731 -4.845 4.536 1.00 0.00 C ATOM 0 H ALA A 43 -6.494 -6.245 6.270 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.939 -4.089 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.034 -3.867 4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.187 -5.378 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.616 -5.416 4.817 1.00 0.00 H new ATOM 604 N SER A 44 -8.126 -3.996 8.029 1.00 0.00 N ATOM 605 CA SER A 44 -8.762 -3.255 9.153 1.00 0.00 C ATOM 606 C SER A 44 -7.666 -2.512 9.923 1.00 0.00 C ATOM 607 O SER A 44 -7.586 -2.598 11.131 1.00 0.00 O ATOM 608 CB SER A 44 -9.407 -4.330 10.029 1.00 0.00 C ATOM 609 OG SER A 44 -10.822 -4.206 9.957 1.00 0.00 O ATOM 0 H SER A 44 -7.318 -4.560 8.292 1.00 0.00 H new ATOM 0 HA SER A 44 -9.500 -2.523 8.825 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.099 -5.321 9.695 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.073 -4.224 11.061 1.00 0.00 H new ATOM 0 HG SER A 44 -11.240 -4.894 10.516 1.00 0.00 H new ATOM 615 N CYS A 45 -6.779 -1.827 9.233 1.00 0.00 N ATOM 616 CA CYS A 45 -5.665 -1.153 9.974 1.00 0.00 C ATOM 617 C CYS A 45 -5.699 0.379 9.987 1.00 0.00 C ATOM 618 O CYS A 45 -6.240 1.045 9.132 1.00 0.00 O ATOM 619 CB CYS A 45 -4.339 -1.634 9.357 1.00 0.00 C ATOM 620 SG CYS A 45 -4.502 -2.051 7.604 1.00 0.00 S ATOM 0 H CYS A 45 -6.777 -1.708 8.220 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.778 -1.433 11.021 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.584 -0.856 9.474 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.983 -2.507 9.903 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.763 -3.086 7.333 1.00 0.00 H new ATOM 625 N ALA A 46 -5.052 0.934 10.970 1.00 0.00 N ATOM 626 CA ALA A 46 -4.943 2.409 11.079 1.00 0.00 C ATOM 627 C ALA A 46 -3.480 2.813 10.842 1.00 0.00 C ATOM 628 O ALA A 46 -3.155 3.979 10.735 1.00 0.00 O ATOM 629 CB ALA A 46 -5.373 2.739 12.509 1.00 0.00 C ATOM 0 H ALA A 46 -4.586 0.416 11.715 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.558 2.939 10.352 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.318 3.816 12.666 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.397 2.401 12.668 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.711 2.236 13.213 1.00 0.00 H new ATOM 635 N THR A 47 -2.590 1.845 10.794 1.00 0.00 N ATOM 636 CA THR A 47 -1.140 2.161 10.607 1.00 0.00 C ATOM 637 C THR A 47 -0.612 1.725 9.228 1.00 0.00 C ATOM 638 O THR A 47 0.299 2.332 8.701 1.00 0.00 O ATOM 639 CB THR A 47 -0.429 1.380 11.713 1.00 0.00 C ATOM 640 OG1 THR A 47 -0.705 -0.005 11.565 1.00 0.00 O ATOM 641 CG2 THR A 47 -0.925 1.859 13.078 1.00 0.00 C ATOM 0 H THR A 47 -2.808 0.852 10.876 1.00 0.00 H new ATOM 0 HA THR A 47 -0.967 3.236 10.658 1.00 0.00 H new ATOM 0 HB THR A 47 0.646 1.546 11.642 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.249 -0.507 12.272 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.418 1.302 13.866 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.711 2.922 13.190 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.000 1.695 13.152 1.00 0.00 H new ATOM 649 N CYS A 48 -1.148 0.688 8.632 1.00 0.00 N ATOM 650 CA CYS A 48 -0.612 0.272 7.296 1.00 0.00 C ATOM 651 C CYS A 48 -1.069 1.245 6.221 1.00 0.00 C ATOM 652 O CYS A 48 -1.804 0.900 5.326 1.00 0.00 O ATOM 653 CB CYS A 48 -1.139 -1.131 6.999 1.00 0.00 C ATOM 654 SG CYS A 48 -1.183 -2.148 8.491 1.00 0.00 S ATOM 0 H CYS A 48 -1.914 0.123 9.000 1.00 0.00 H new ATOM 0 HA CYS A 48 0.478 0.273 7.307 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.140 -1.063 6.574 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.507 -1.608 6.250 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.231 -2.917 8.461 1.00 0.00 H new ATOM 659 N HIS A 49 -0.601 2.455 6.281 1.00 0.00 N ATOM 660 CA HIS A 49 -0.967 3.431 5.228 1.00 0.00 C ATOM 661 C HIS A 49 0.051 3.277 4.105 1.00 0.00 C ATOM 662 O HIS A 49 1.240 3.220 4.348 1.00 0.00 O ATOM 663 CB HIS A 49 -0.861 4.810 5.881 1.00 0.00 C ATOM 664 CG HIS A 49 -1.545 5.827 5.008 1.00 0.00 C ATOM 665 ND1 HIS A 49 -2.118 6.979 5.523 1.00 0.00 N ATOM 666 CD2 HIS A 49 -1.757 5.877 3.652 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.642 7.667 4.491 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.450 7.038 3.328 1.00 0.00 N ATOM 0 H HIS A 49 0.017 2.809 7.011 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.968 3.287 4.821 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.321 4.794 6.869 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.186 5.079 6.021 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.434 5.128 2.944 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.155 8.612 4.591 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -2.748 7.344 2.402 1.00 0.00 H new ATOM 676 N VAL A 50 -0.380 3.196 2.884 1.00 0.00 N ATOM 677 CA VAL A 50 0.601 3.030 1.790 1.00 0.00 C ATOM 678 C VAL A 50 0.151 3.829 0.592 1.00 0.00 C ATOM 679 O VAL A 50 -1.015 4.124 0.420 1.00 0.00 O ATOM 680 CB VAL A 50 0.627 1.542 1.457 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.254 0.766 2.617 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.798 1.062 1.211 1.00 0.00 C ATOM 0 H VAL A 50 -1.359 3.237 2.599 1.00 0.00 H new ATOM 0 HA VAL A 50 1.593 3.380 2.076 1.00 0.00 H new ATOM 0 HB VAL A 50 1.224 1.373 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.271 -0.297 2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.273 1.117 2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.665 0.924 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.788 -0.001 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.397 1.227 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.230 1.617 0.378 1.00 0.00 H new ATOM 692 N TYR A 51 1.073 4.191 -0.222 1.00 0.00 N ATOM 693 CA TYR A 51 0.731 5.000 -1.415 1.00 0.00 C ATOM 694 C TYR A 51 1.125 4.276 -2.698 1.00 0.00 C ATOM 695 O TYR A 51 2.277 4.003 -2.945 1.00 0.00 O ATOM 696 CB TYR A 51 1.548 6.270 -1.230 1.00 0.00 C ATOM 697 CG TYR A 51 0.826 7.250 -0.319 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.499 7.010 0.100 1.00 0.00 C ATOM 699 CD2 TYR A 51 1.474 8.434 0.069 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.159 7.953 0.895 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.803 9.375 0.860 1.00 0.00 C ATOM 702 CZ TYR A 51 -0.512 9.136 1.269 1.00 0.00 C ATOM 703 OH TYR A 51 -1.170 10.065 2.048 1.00 0.00 O ATOM 0 H TYR A 51 2.062 3.964 -0.120 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.338 5.194 -1.504 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.521 6.023 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.731 6.734 -2.199 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.003 6.101 -0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.491 8.619 -0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.172 7.767 1.221 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.302 10.286 1.154 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.568 10.387 2.751 1.00 0.00 H new ATOM 713 N VAL A 52 0.168 3.975 -3.522 1.00 0.00 N ATOM 714 CA VAL A 52 0.488 3.274 -4.804 1.00 0.00 C ATOM 715 C VAL A 52 0.567 4.299 -5.948 1.00 0.00 C ATOM 716 O VAL A 52 0.118 5.419 -5.804 1.00 0.00 O ATOM 717 CB VAL A 52 -0.671 2.302 -5.042 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.388 1.445 -6.290 1.00 0.00 C ATOM 719 CG2 VAL A 52 -0.823 1.396 -3.820 1.00 0.00 C ATOM 0 H VAL A 52 -0.820 4.180 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 52 1.445 2.753 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.591 2.865 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.216 0.756 -6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.278 2.093 -7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.531 0.879 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.647 0.701 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.099 0.836 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.030 2.004 -2.940 1.00 0.00 H new ATOM 729 N ASN A 53 1.109 3.942 -7.091 1.00 0.00 N ATOM 730 CA ASN A 53 1.168 4.925 -8.209 1.00 0.00 C ATOM 731 C ASN A 53 -0.106 4.815 -9.050 1.00 0.00 C ATOM 732 O ASN A 53 -0.593 3.734 -9.314 1.00 0.00 O ATOM 733 CB ASN A 53 2.398 4.537 -9.031 1.00 0.00 C ATOM 734 CG ASN A 53 2.349 3.045 -9.356 1.00 0.00 C ATOM 735 OD1 ASN A 53 1.513 2.325 -8.846 1.00 0.00 O ATOM 736 ND2 ASN A 53 3.220 2.545 -10.184 1.00 0.00 N ATOM 0 H ASN A 53 1.506 3.024 -7.291 1.00 0.00 H new ATOM 0 HA ASN A 53 1.239 5.954 -7.857 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.430 5.119 -9.952 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.307 4.769 -8.475 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.201 1.549 -10.405 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.922 3.149 -10.612 1.00 0.00 H new ATOM 743 N GLU A 54 -0.657 5.925 -9.455 1.00 0.00 N ATOM 744 CA GLU A 54 -1.915 5.897 -10.263 1.00 0.00 C ATOM 745 C GLU A 54 -1.913 4.735 -11.263 1.00 0.00 C ATOM 746 O GLU A 54 -2.954 4.256 -11.666 1.00 0.00 O ATOM 747 CB GLU A 54 -1.933 7.235 -11.003 1.00 0.00 C ATOM 748 CG GLU A 54 -0.570 7.477 -11.654 1.00 0.00 C ATOM 749 CD GLU A 54 -0.769 7.963 -13.091 1.00 0.00 C ATOM 750 OE1 GLU A 54 -1.320 7.212 -13.880 1.00 0.00 O ATOM 751 OE2 GLU A 54 -0.368 9.079 -13.379 1.00 0.00 O ATOM 0 H GLU A 54 -0.290 6.857 -9.262 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.793 5.754 -9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.715 7.232 -11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.165 8.043 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.009 8.217 -11.083 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.016 6.558 -11.648 1.00 0.00 H new ATOM 758 N ALA A 55 -0.761 4.286 -11.681 1.00 0.00 N ATOM 759 CA ALA A 55 -0.712 3.167 -12.669 1.00 0.00 C ATOM 760 C ALA A 55 -1.202 1.849 -12.053 1.00 0.00 C ATOM 761 O ALA A 55 -1.532 0.916 -12.759 1.00 0.00 O ATOM 762 CB ALA A 55 0.762 3.056 -13.060 1.00 0.00 C ATOM 0 H ALA A 55 0.147 4.643 -11.383 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.360 3.360 -13.524 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.886 2.253 -13.787 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.094 3.997 -13.499 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.358 2.839 -12.174 1.00 0.00 H new ATOM 768 N PHE A 56 -1.245 1.750 -10.751 1.00 0.00 N ATOM 769 CA PHE A 56 -1.705 0.472 -10.125 1.00 0.00 C ATOM 770 C PHE A 56 -2.788 0.740 -9.073 1.00 0.00 C ATOM 771 O PHE A 56 -3.490 -0.161 -8.659 1.00 0.00 O ATOM 772 CB PHE A 56 -0.441 -0.129 -9.503 1.00 0.00 C ATOM 773 CG PHE A 56 0.551 -0.378 -10.620 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.218 0.717 -11.179 1.00 0.00 C ATOM 775 CD2 PHE A 56 0.793 -1.678 -11.129 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.112 0.535 -12.238 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.697 -1.849 -12.183 1.00 0.00 C ATOM 778 CZ PHE A 56 2.351 -0.745 -12.740 1.00 0.00 C ATOM 0 H PHE A 56 -0.985 2.489 -10.098 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.161 -0.208 -10.844 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.020 0.551 -8.762 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.675 -1.059 -8.985 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.041 1.709 -10.790 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.283 -2.531 -10.706 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.619 1.386 -12.668 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.891 -2.839 -12.569 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.041 -0.883 -13.559 1.00 0.00 H new ATOM 788 N THR A 57 -2.955 1.968 -8.655 1.00 0.00 N ATOM 789 CA THR A 57 -4.027 2.262 -7.652 1.00 0.00 C ATOM 790 C THR A 57 -5.370 2.372 -8.384 1.00 0.00 C ATOM 791 O THR A 57 -6.425 2.210 -7.804 1.00 0.00 O ATOM 792 CB THR A 57 -3.692 3.610 -6.975 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.488 4.633 -7.558 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.213 3.982 -7.134 1.00 0.00 C ATOM 0 H THR A 57 -2.405 2.772 -8.958 1.00 0.00 H new ATOM 0 HA THR A 57 -4.087 1.472 -6.903 1.00 0.00 H new ATOM 0 HB THR A 57 -3.902 3.509 -5.910 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.330 4.714 -7.063 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.023 4.936 -6.643 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.593 3.210 -6.679 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.970 4.065 -8.193 1.00 0.00 H new ATOM 802 N ASP A 58 -5.331 2.659 -9.662 1.00 0.00 N ATOM 803 CA ASP A 58 -6.596 2.789 -10.443 1.00 0.00 C ATOM 804 C ASP A 58 -7.045 1.414 -10.947 1.00 0.00 C ATOM 805 O ASP A 58 -8.209 1.186 -11.211 1.00 0.00 O ATOM 806 CB ASP A 58 -6.248 3.723 -11.612 1.00 0.00 C ATOM 807 CG ASP A 58 -5.616 2.925 -12.760 1.00 0.00 C ATOM 808 OD1 ASP A 58 -6.299 2.080 -13.314 1.00 0.00 O ATOM 809 OD2 ASP A 58 -4.462 3.175 -13.064 1.00 0.00 O ATOM 0 H ASP A 58 -4.476 2.809 -10.197 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.418 3.185 -9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.148 4.228 -11.963 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.559 4.497 -11.275 1.00 0.00 H new ATOM 814 N LYS A 59 -6.127 0.498 -11.074 1.00 0.00 N ATOM 815 CA LYS A 59 -6.490 -0.864 -11.553 1.00 0.00 C ATOM 816 C LYS A 59 -7.088 -1.658 -10.395 1.00 0.00 C ATOM 817 O LYS A 59 -8.127 -2.277 -10.515 1.00 0.00 O ATOM 818 CB LYS A 59 -5.167 -1.486 -11.993 1.00 0.00 C ATOM 819 CG LYS A 59 -4.681 -0.803 -13.272 1.00 0.00 C ATOM 820 CD LYS A 59 -5.699 -1.029 -14.392 1.00 0.00 C ATOM 821 CE LYS A 59 -4.975 -1.503 -15.654 1.00 0.00 C ATOM 822 NZ LYS A 59 -5.772 -0.949 -16.784 1.00 0.00 N ATOM 0 H LYS A 59 -5.138 0.634 -10.866 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.222 -0.851 -12.360 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.422 -1.377 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.295 -2.555 -12.165 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.547 0.265 -13.098 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.710 -1.203 -13.563 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.436 -1.770 -14.083 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.241 -0.106 -14.596 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.948 -1.140 -15.680 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.930 -2.591 -15.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.338 -1.231 -17.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.744 -1.317 -16.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.792 0.089 -16.719 1.00 0.00 H new ATOM 836 N VAL A 60 -6.436 -1.626 -9.271 1.00 0.00 N ATOM 837 CA VAL A 60 -6.939 -2.349 -8.083 1.00 0.00 C ATOM 838 C VAL A 60 -8.442 -2.101 -7.911 1.00 0.00 C ATOM 839 O VAL A 60 -8.985 -1.164 -8.463 1.00 0.00 O ATOM 840 CB VAL A 60 -6.139 -1.742 -6.932 1.00 0.00 C ATOM 841 CG1 VAL A 60 -4.705 -2.270 -6.979 1.00 0.00 C ATOM 842 CG2 VAL A 60 -6.120 -0.217 -7.066 1.00 0.00 C ATOM 0 H VAL A 60 -5.562 -1.120 -9.126 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.819 -3.430 -8.147 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.603 -2.017 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.131 -1.839 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.714 -3.356 -6.884 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.246 -1.993 -7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.549 0.213 -6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.657 0.059 -8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.141 0.164 -7.037 1.00 0.00 H new ATOM 852 N PRO A 61 -9.066 -2.960 -7.152 1.00 0.00 N ATOM 853 CA PRO A 61 -10.527 -2.854 -6.901 1.00 0.00 C ATOM 854 C PRO A 61 -10.890 -1.598 -6.126 1.00 0.00 C ATOM 855 O PRO A 61 -10.065 -0.943 -5.522 1.00 0.00 O ATOM 856 CB PRO A 61 -10.848 -4.106 -6.095 1.00 0.00 C ATOM 857 CG PRO A 61 -9.547 -4.495 -5.469 1.00 0.00 C ATOM 858 CD PRO A 61 -8.476 -4.107 -6.455 1.00 0.00 C ATOM 0 HA PRO A 61 -11.095 -2.783 -7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.608 -3.907 -5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.234 -4.901 -6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.404 -3.983 -4.517 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.518 -5.565 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.545 -3.840 -5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.246 -4.922 -7.142 1.00 0.00 H new ATOM 866 N ALA A 62 -12.144 -1.272 -6.166 1.00 0.00 N ATOM 867 CA ALA A 62 -12.660 -0.071 -5.474 1.00 0.00 C ATOM 868 C ALA A 62 -12.885 -0.356 -3.989 1.00 0.00 C ATOM 869 O ALA A 62 -13.597 -1.268 -3.618 1.00 0.00 O ATOM 870 CB ALA A 62 -13.977 0.207 -6.185 1.00 0.00 C ATOM 0 H ALA A 62 -12.854 -1.806 -6.666 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.973 0.774 -5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.449 1.086 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.788 0.386 -7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.638 -0.652 -6.075 1.00 0.00 H new ATOM 876 N ALA A 63 -12.281 0.420 -3.144 1.00 0.00 N ATOM 877 CA ALA A 63 -12.446 0.213 -1.675 1.00 0.00 C ATOM 878 C ALA A 63 -13.656 0.995 -1.154 1.00 0.00 C ATOM 879 O ALA A 63 -14.116 1.934 -1.773 1.00 0.00 O ATOM 880 CB ALA A 63 -11.163 0.757 -1.052 1.00 0.00 C ATOM 0 H ALA A 63 -11.674 1.197 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.614 -0.835 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.207 0.641 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.307 0.206 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.058 1.813 -1.300 1.00 0.00 H new ATOM 886 N ASN A 64 -14.166 0.621 -0.010 1.00 0.00 N ATOM 887 CA ASN A 64 -15.340 1.354 0.559 1.00 0.00 C ATOM 888 C ASN A 64 -14.880 2.330 1.646 1.00 0.00 C ATOM 889 O ASN A 64 -13.707 2.606 1.790 1.00 0.00 O ATOM 890 CB ASN A 64 -16.271 0.286 1.154 1.00 0.00 C ATOM 891 CG ASN A 64 -15.461 -0.840 1.805 1.00 0.00 C ATOM 892 OD1 ASN A 64 -15.768 -2.002 1.628 1.00 0.00 O ATOM 893 ND2 ASN A 64 -14.433 -0.548 2.556 1.00 0.00 N ATOM 0 H ASN A 64 -13.824 -0.157 0.554 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.851 1.938 -0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.929 0.742 1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -16.909 -0.124 0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.891 -1.294 2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.172 0.426 2.707 1.00 0.00 H new ATOM 900 N GLU A 65 -15.800 2.848 2.416 1.00 0.00 N ATOM 901 CA GLU A 65 -15.424 3.805 3.498 1.00 0.00 C ATOM 902 C GLU A 65 -14.468 3.137 4.493 1.00 0.00 C ATOM 903 O GLU A 65 -13.707 3.796 5.173 1.00 0.00 O ATOM 904 CB GLU A 65 -16.747 4.163 4.178 1.00 0.00 C ATOM 905 CG GLU A 65 -17.208 2.996 5.055 1.00 0.00 C ATOM 906 CD GLU A 65 -18.723 3.072 5.252 1.00 0.00 C ATOM 907 OE1 GLU A 65 -19.436 2.893 4.278 1.00 0.00 O ATOM 908 OE2 GLU A 65 -19.145 3.309 6.371 1.00 0.00 O ATOM 0 H GLU A 65 -16.798 2.649 2.342 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.909 4.685 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.624 5.060 4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.504 4.387 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.938 2.048 4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.703 3.031 6.020 1.00 0.00 H new ATOM 915 N ARG A 66 -14.500 1.834 4.584 1.00 0.00 N ATOM 916 CA ARG A 66 -13.588 1.136 5.537 1.00 0.00 C ATOM 917 C ARG A 66 -12.135 1.347 5.111 1.00 0.00 C ATOM 918 O ARG A 66 -11.216 1.124 5.869 1.00 0.00 O ATOM 919 CB ARG A 66 -13.963 -0.343 5.445 1.00 0.00 C ATOM 920 CG ARG A 66 -14.418 -0.839 6.819 1.00 0.00 C ATOM 921 CD ARG A 66 -14.569 -2.360 6.788 1.00 0.00 C ATOM 922 NE ARG A 66 -15.665 -2.618 5.813 1.00 0.00 N ATOM 923 CZ ARG A 66 -15.984 -3.844 5.499 1.00 0.00 C ATOM 924 NH1 ARG A 66 -16.469 -4.645 6.407 1.00 0.00 N ATOM 925 NH2 ARG A 66 -15.818 -4.268 4.275 1.00 0.00 N ATOM 0 H ARG A 66 -15.114 1.226 4.043 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.686 1.513 6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.759 -0.483 4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.108 -0.925 5.101 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.693 -0.550 7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -15.366 -0.374 7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.642 -2.842 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.817 -2.752 7.774 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.166 -1.837 5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.599 -4.313 7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.718 -5.603 6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.439 -3.641 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.067 -5.226 4.029 1.00 0.00 H new ATOM 939 N GLU A 67 -11.926 1.786 3.905 1.00 0.00 N ATOM 940 CA GLU A 67 -10.537 2.029 3.425 1.00 0.00 C ATOM 941 C GLU A 67 -10.228 3.527 3.509 1.00 0.00 C ATOM 942 O GLU A 67 -9.142 3.963 3.203 1.00 0.00 O ATOM 943 CB GLU A 67 -10.551 1.549 1.963 1.00 0.00 C ATOM 944 CG GLU A 67 -9.536 2.340 1.123 1.00 0.00 C ATOM 945 CD GLU A 67 -8.124 1.952 1.542 1.00 0.00 C ATOM 946 OE1 GLU A 67 -7.742 0.834 1.260 1.00 0.00 O ATOM 947 OE2 GLU A 67 -7.450 2.775 2.136 1.00 0.00 O ATOM 0 H GLU A 67 -12.660 1.989 3.226 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.778 1.513 4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.315 0.486 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.550 1.670 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.683 2.132 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.688 3.410 1.262 1.00 0.00 H new ATOM 954 N ILE A 68 -11.190 4.318 3.890 1.00 0.00 N ATOM 955 CA ILE A 68 -10.962 5.787 3.963 1.00 0.00 C ATOM 956 C ILE A 68 -10.469 6.211 5.357 1.00 0.00 C ATOM 957 O ILE A 68 -9.405 6.779 5.495 1.00 0.00 O ATOM 958 CB ILE A 68 -12.334 6.386 3.636 1.00 0.00 C ATOM 959 CG1 ILE A 68 -12.521 6.419 2.114 1.00 0.00 C ATOM 960 CG2 ILE A 68 -12.437 7.807 4.190 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.117 5.069 1.510 1.00 0.00 C ATOM 0 H ILE A 68 -12.126 4.010 4.154 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.187 6.128 3.277 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.109 5.771 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.560 6.640 1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.917 7.216 1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.417 8.221 3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.306 7.786 5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.661 8.429 3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.252 5.099 0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.071 4.866 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.740 4.281 1.932 1.00 0.00 H new ATOM 973 N GLY A 69 -11.231 5.953 6.391 1.00 0.00 N ATOM 974 CA GLY A 69 -10.784 6.365 7.760 1.00 0.00 C ATOM 975 C GLY A 69 -9.650 5.457 8.224 1.00 0.00 C ATOM 976 O GLY A 69 -8.622 5.914 8.682 1.00 0.00 O ATOM 0 H GLY A 69 -12.134 5.480 6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.450 7.403 7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.619 6.307 8.459 1.00 0.00 H new ATOM 980 N MET A 70 -9.816 4.181 8.079 1.00 0.00 N ATOM 981 CA MET A 70 -8.739 3.233 8.475 1.00 0.00 C ATOM 982 C MET A 70 -7.433 3.709 7.881 1.00 0.00 C ATOM 983 O MET A 70 -6.417 3.861 8.530 1.00 0.00 O ATOM 984 CB MET A 70 -9.114 1.970 7.730 1.00 0.00 C ATOM 985 CG MET A 70 -9.114 0.755 8.630 1.00 0.00 C ATOM 986 SD MET A 70 -10.209 -0.448 7.869 1.00 0.00 S ATOM 987 CE MET A 70 -9.167 -0.721 6.415 1.00 0.00 C ATOM 0 H MET A 70 -10.657 3.745 7.700 1.00 0.00 H new ATOM 0 HA MET A 70 -8.638 3.123 9.555 1.00 0.00 H new ATOM 0 HB2 MET A 70 -10.102 2.092 7.287 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.414 1.812 6.910 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.107 0.351 8.735 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.459 1.014 9.631 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.744 -1.234 5.645 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.821 0.238 6.030 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.308 -1.332 6.692 1.00 0.00 H new ATOM 997 N LEU A 71 -7.504 3.923 6.614 1.00 0.00 N ATOM 998 CA LEU A 71 -6.350 4.376 5.816 1.00 0.00 C ATOM 999 C LEU A 71 -5.996 5.809 6.219 1.00 0.00 C ATOM 1000 O LEU A 71 -4.842 6.190 6.248 1.00 0.00 O ATOM 1001 CB LEU A 71 -6.928 4.261 4.408 1.00 0.00 C ATOM 1002 CG LEU A 71 -5.879 4.476 3.304 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -6.555 5.179 2.124 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -4.716 5.348 3.792 1.00 0.00 C ATOM 0 H LEU A 71 -8.358 3.796 6.070 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.419 3.821 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.378 3.276 4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.727 4.993 4.289 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.479 3.504 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.826 5.340 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.369 4.559 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.953 6.139 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.995 5.478 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.096 6.322 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.229 4.865 4.639 1.00 0.00 H new ATOM 1016 N GLU A 72 -6.978 6.597 6.564 1.00 0.00 N ATOM 1017 CA GLU A 72 -6.690 7.991 7.003 1.00 0.00 C ATOM 1018 C GLU A 72 -6.490 8.016 8.520 1.00 0.00 C ATOM 1019 O GLU A 72 -6.377 9.063 9.125 1.00 0.00 O ATOM 1020 CB GLU A 72 -7.918 8.814 6.614 1.00 0.00 C ATOM 1021 CG GLU A 72 -7.892 10.149 7.368 1.00 0.00 C ATOM 1022 CD GLU A 72 -8.495 11.246 6.489 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -9.400 10.938 5.731 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -8.041 12.374 6.588 1.00 0.00 O ATOM 0 H GLU A 72 -7.964 6.336 6.561 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.786 8.389 6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.926 8.991 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.829 8.265 6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.454 10.064 8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.868 10.406 7.637 1.00 0.00 H new ATOM 1031 N CYS A 73 -6.442 6.872 9.147 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.249 6.861 10.622 1.00 0.00 C ATOM 1033 C CYS A 73 -5.080 7.776 10.959 1.00 0.00 C ATOM 1034 O CYS A 73 -5.176 8.647 11.802 1.00 0.00 O ATOM 1035 CB CYS A 73 -5.926 5.410 10.976 1.00 0.00 C ATOM 1036 SG CYS A 73 -7.467 4.489 11.214 1.00 0.00 S ATOM 0 H CYS A 73 -6.527 5.956 8.707 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.121 7.211 11.175 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.336 4.953 10.181 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.323 5.371 11.883 1.00 0.00 H new ATOM 0 HG CYS A 73 -8.376 4.948 10.406 1.00 0.00 H new ATOM 1042 N VAL A 74 -3.984 7.606 10.280 1.00 0.00 N ATOM 1043 CA VAL A 74 -2.815 8.486 10.526 1.00 0.00 C ATOM 1044 C VAL A 74 -2.897 9.698 9.592 1.00 0.00 C ATOM 1045 O VAL A 74 -2.806 9.575 8.388 1.00 0.00 O ATOM 1046 CB VAL A 74 -1.592 7.623 10.214 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -1.734 6.268 10.910 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -1.486 7.407 8.703 1.00 0.00 C ATOM 0 H VAL A 74 -3.848 6.893 9.563 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.772 8.868 11.546 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.694 8.127 10.572 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.863 5.652 10.688 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.808 6.418 11.987 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.633 5.767 10.551 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.613 6.792 8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.384 6.905 8.343 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.385 8.371 8.204 1.00 0.00 H new ATOM 1058 N THR A 75 -3.092 10.865 10.139 1.00 0.00 N ATOM 1059 CA THR A 75 -3.206 12.084 9.288 1.00 0.00 C ATOM 1060 C THR A 75 -2.066 12.145 8.270 1.00 0.00 C ATOM 1061 O THR A 75 -1.020 12.711 8.522 1.00 0.00 O ATOM 1062 CB THR A 75 -3.098 13.251 10.271 1.00 0.00 C ATOM 1063 OG1 THR A 75 -3.262 14.475 9.570 1.00 0.00 O ATOM 1064 CG2 THR A 75 -1.722 13.224 10.943 1.00 0.00 C ATOM 0 H THR A 75 -3.178 11.029 11.142 1.00 0.00 H new ATOM 0 HA THR A 75 -4.135 12.099 8.718 1.00 0.00 H new ATOM 0 HB THR A 75 -3.874 13.162 11.031 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.195 15.224 10.199 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.643 14.055 11.644 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.598 12.283 11.480 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.945 13.314 10.184 1.00 0.00 H new ATOM 1072 N ALA A 76 -2.269 11.573 7.115 1.00 0.00 N ATOM 1073 CA ALA A 76 -1.212 11.600 6.066 1.00 0.00 C ATOM 1074 C ALA A 76 -1.784 12.185 4.773 1.00 0.00 C ATOM 1075 O ALA A 76 -1.571 11.661 3.699 1.00 0.00 O ATOM 1076 CB ALA A 76 -0.815 10.138 5.863 1.00 0.00 C ATOM 0 H ALA A 76 -3.126 11.086 6.852 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.358 12.214 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.037 10.074 5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.439 9.729 6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.685 9.566 5.541 1.00 0.00 H new ATOM 1082 N GLU A 77 -2.519 13.263 4.879 1.00 0.00 N ATOM 1083 CA GLU A 77 -3.121 13.893 3.666 1.00 0.00 C ATOM 1084 C GLU A 77 -3.622 12.822 2.703 1.00 0.00 C ATOM 1085 O GLU A 77 -3.188 12.731 1.572 1.00 0.00 O ATOM 1086 CB GLU A 77 -2.012 14.742 3.034 1.00 0.00 C ATOM 1087 CG GLU A 77 -0.824 13.855 2.656 1.00 0.00 C ATOM 1088 CD GLU A 77 0.140 14.645 1.769 1.00 0.00 C ATOM 1089 OE1 GLU A 77 0.535 15.726 2.174 1.00 0.00 O ATOM 1090 OE2 GLU A 77 0.468 14.155 0.700 1.00 0.00 O ATOM 0 H GLU A 77 -2.729 13.736 5.758 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.984 14.510 3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.392 15.251 2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.691 15.515 3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.311 13.513 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.173 12.966 2.131 1.00 0.00 H new ATOM 1097 N LEU A 78 -4.543 12.022 3.161 1.00 0.00 N ATOM 1098 CA LEU A 78 -5.121 10.942 2.316 1.00 0.00 C ATOM 1099 C LEU A 78 -5.161 11.349 0.842 1.00 0.00 C ATOM 1100 O LEU A 78 -5.572 12.440 0.498 1.00 0.00 O ATOM 1101 CB LEU A 78 -6.529 10.782 2.857 1.00 0.00 C ATOM 1102 CG LEU A 78 -6.850 9.294 2.975 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -6.039 8.682 4.118 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.338 9.120 3.255 1.00 0.00 C ATOM 0 H LEU A 78 -4.927 12.073 4.105 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.535 10.024 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.615 11.264 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.244 11.270 2.195 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.593 8.791 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.270 7.620 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.975 8.807 3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.293 9.182 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.571 8.058 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.594 9.623 4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.915 9.554 2.438 1.00 0.00 H new ATOM 1116 N LYS A 79 -4.736 10.480 -0.030 1.00 0.00 N ATOM 1117 CA LYS A 79 -4.744 10.814 -1.483 1.00 0.00 C ATOM 1118 C LYS A 79 -5.806 9.973 -2.201 1.00 0.00 C ATOM 1119 O LYS A 79 -6.383 9.083 -1.609 1.00 0.00 O ATOM 1120 CB LYS A 79 -3.348 10.468 -1.968 1.00 0.00 C ATOM 1121 CG LYS A 79 -2.319 10.876 -0.909 1.00 0.00 C ATOM 1122 CD LYS A 79 -0.927 10.711 -1.495 1.00 0.00 C ATOM 1123 CE LYS A 79 -0.854 9.341 -2.140 1.00 0.00 C ATOM 1124 NZ LYS A 79 0.510 9.251 -2.731 1.00 0.00 N ATOM 0 H LYS A 79 -4.383 9.551 0.199 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.987 11.859 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.276 9.399 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.141 10.981 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.480 11.910 -0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.429 10.259 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.728 11.490 -2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.171 10.807 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.016 8.552 -1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.622 9.226 -2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.524 8.510 -3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.764 10.164 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.196 9.015 -1.986 1.00 0.00 H new ATOM 1138 N PRO A 80 -6.037 10.276 -3.453 1.00 0.00 N ATOM 1139 CA PRO A 80 -7.049 9.519 -4.230 1.00 0.00 C ATOM 1140 C PRO A 80 -6.597 8.070 -4.422 1.00 0.00 C ATOM 1141 O PRO A 80 -7.403 7.163 -4.473 1.00 0.00 O ATOM 1142 CB PRO A 80 -7.117 10.267 -5.560 1.00 0.00 C ATOM 1143 CG PRO A 80 -5.805 10.968 -5.668 1.00 0.00 C ATOM 1144 CD PRO A 80 -5.396 11.321 -4.263 1.00 0.00 C ATOM 0 HA PRO A 80 -8.020 9.464 -3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.269 9.581 -6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.946 10.974 -5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.060 10.328 -6.140 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.892 11.863 -6.284 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.312 11.313 -4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.740 12.316 -3.982 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.317 7.841 -4.518 1.00 0.00 N ATOM 1153 CA ASN A 81 -4.834 6.443 -4.693 1.00 0.00 C ATOM 1154 C ASN A 81 -4.374 5.863 -3.351 1.00 0.00 C ATOM 1155 O ASN A 81 -4.130 4.678 -3.237 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.662 6.525 -5.669 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.634 7.534 -5.162 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -2.963 8.666 -4.872 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.390 7.163 -5.045 1.00 0.00 N ATOM 0 H ASN A 81 -4.589 8.555 -4.483 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.623 5.791 -5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.199 5.544 -5.778 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.019 6.821 -6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.690 7.824 -4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.117 6.211 -5.289 1.00 0.00 H new ATOM 1166 N SER A 82 -4.252 6.675 -2.332 1.00 0.00 N ATOM 1167 CA SER A 82 -3.807 6.130 -1.016 1.00 0.00 C ATOM 1168 C SER A 82 -4.628 4.893 -0.667 1.00 0.00 C ATOM 1169 O SER A 82 -5.770 4.766 -1.057 1.00 0.00 O ATOM 1170 CB SER A 82 -4.097 7.234 0.001 1.00 0.00 C ATOM 1171 OG SER A 82 -3.395 8.410 -0.359 1.00 0.00 O ATOM 0 H SER A 82 -4.438 7.678 -2.353 1.00 0.00 H new ATOM 0 HA SER A 82 -2.755 5.847 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.168 7.435 0.039 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.798 6.911 0.998 1.00 0.00 H new ATOM 0 HG SER A 82 -2.434 8.272 -0.224 1.00 0.00 H new ATOM 1177 N ARG A 83 -4.056 3.981 0.065 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.804 2.749 0.435 1.00 0.00 C ATOM 1179 C ARG A 83 -4.196 2.119 1.690 1.00 0.00 C ATOM 1180 O ARG A 83 -3.009 2.222 1.932 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.610 1.802 -0.757 1.00 0.00 C ATOM 1182 CG ARG A 83 -5.817 1.857 -1.701 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.941 0.984 -1.149 1.00 0.00 C ATOM 1184 NE ARG A 83 -7.429 0.201 -2.317 1.00 0.00 N ATOM 1185 CZ ARG A 83 -8.469 0.609 -2.988 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -8.565 1.860 -3.348 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -9.415 -0.233 -3.300 1.00 0.00 N ATOM 0 H ARG A 83 -3.103 4.035 0.423 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.854 2.954 0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.705 2.075 -1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.470 0.782 -0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.161 2.886 -1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.530 1.512 -2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.579 0.328 -0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.738 1.591 -0.720 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.949 -0.656 -2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.826 2.519 -3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.379 2.179 -3.873 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.341 -1.211 -3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.229 0.086 -3.825 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.986 1.428 2.467 1.00 0.00 N ATOM 1202 CA LEU A 84 -4.421 0.755 3.669 1.00 0.00 C ATOM 1203 C LEU A 84 -3.619 -0.437 3.161 1.00 0.00 C ATOM 1204 O LEU A 84 -4.070 -1.189 2.321 1.00 0.00 O ATOM 1205 CB LEU A 84 -5.620 0.283 4.503 1.00 0.00 C ATOM 1206 CG LEU A 84 -5.525 0.823 5.926 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -6.483 0.021 6.799 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -4.103 0.643 6.454 1.00 0.00 C ATOM 0 H LEU A 84 -5.988 1.302 2.323 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.781 1.399 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.548 0.620 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.651 -0.806 4.522 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.780 1.883 5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.435 0.388 7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.499 0.133 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.201 -1.032 6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.041 1.030 7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.846 -0.416 6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.406 1.186 5.815 1.00 0.00 H new ATOM 1220 N SER A 85 -2.411 -0.583 3.608 1.00 0.00 N ATOM 1221 CA SER A 85 -1.572 -1.687 3.090 1.00 0.00 C ATOM 1222 C SER A 85 -2.342 -3.013 3.015 1.00 0.00 C ATOM 1223 O SER A 85 -1.959 -3.911 2.291 1.00 0.00 O ATOM 1224 CB SER A 85 -0.388 -1.795 4.023 1.00 0.00 C ATOM 1225 OG SER A 85 -0.124 -0.524 4.601 1.00 0.00 O ATOM 0 H SER A 85 -1.969 0.013 4.308 1.00 0.00 H new ATOM 0 HA SER A 85 -1.255 -1.476 2.069 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.593 -2.527 4.805 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.488 -2.148 3.478 1.00 0.00 H new ATOM 0 HG SER A 85 0.675 -0.581 5.165 1.00 0.00 H new ATOM 1231 N CYS A 86 -3.414 -3.162 3.750 1.00 0.00 N ATOM 1232 CA CYS A 86 -4.160 -4.457 3.692 1.00 0.00 C ATOM 1233 C CYS A 86 -5.478 -4.302 2.929 1.00 0.00 C ATOM 1234 O CYS A 86 -6.489 -4.870 3.283 1.00 0.00 O ATOM 1235 CB CYS A 86 -4.355 -4.881 5.147 1.00 0.00 C ATOM 1236 SG CYS A 86 -2.727 -4.737 5.925 1.00 0.00 S ATOM 0 H CYS A 86 -3.801 -2.457 4.378 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.615 -5.225 3.144 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.085 -4.243 5.646 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.729 -5.903 5.210 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.991 -5.753 5.583 1.00 0.00 H new ATOM 1241 N GLN A 87 -5.453 -3.536 1.866 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.684 -3.329 1.043 1.00 0.00 C ATOM 1243 C GLN A 87 -6.422 -3.686 -0.413 1.00 0.00 C ATOM 1244 O GLN A 87 -7.213 -4.342 -1.061 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.992 -1.838 1.125 1.00 0.00 C ATOM 1246 CG GLN A 87 -6.804 -1.340 2.548 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.023 -1.704 3.372 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -9.145 -1.482 2.963 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -7.846 -2.259 4.526 1.00 0.00 N ATOM 0 H GLN A 87 -4.626 -3.042 1.531 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.501 -3.952 1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.338 -1.287 0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.016 -1.652 0.799 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.910 -1.784 2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -6.658 -0.260 2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.901 -2.443 4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.651 -2.513 5.099 1.00 0.00 H new ATOM 1258 N ILE A 88 -5.322 -3.239 -0.931 1.00 0.00 N ATOM 1259 CA ILE A 88 -5.008 -3.533 -2.361 1.00 0.00 C ATOM 1260 C ILE A 88 -4.451 -4.946 -2.490 1.00 0.00 C ATOM 1261 O ILE A 88 -3.710 -5.416 -1.650 1.00 0.00 O ATOM 1262 CB ILE A 88 -3.953 -2.523 -2.854 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.782 -1.342 -1.890 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.389 -1.982 -4.214 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -2.915 -0.264 -2.554 1.00 0.00 C ATOM 0 H ILE A 88 -4.624 -2.684 -0.435 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.916 -3.452 -2.959 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.998 -3.045 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.756 -0.930 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.317 -1.679 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.651 -1.266 -4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.472 -2.805 -4.923 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.356 -1.488 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.792 0.576 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.937 -0.681 -2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.399 0.080 -3.468 1.00 0.00 H new ATOM 1277 N ILE A 89 -4.794 -5.616 -3.546 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.285 -6.993 -3.758 1.00 0.00 C ATOM 1279 C ILE A 89 -3.304 -6.997 -4.928 1.00 0.00 C ATOM 1280 O ILE A 89 -3.317 -6.115 -5.763 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.526 -7.825 -4.083 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.317 -8.103 -2.799 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.098 -9.147 -4.715 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.366 -8.564 -1.692 1.00 0.00 C ATOM 0 H ILE A 89 -5.411 -5.266 -4.279 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.754 -7.388 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.157 -7.274 -4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.846 -7.203 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.071 -8.868 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.981 -9.742 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.542 -8.949 -5.632 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.465 -9.695 -4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.934 -8.760 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.857 -9.476 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.628 -7.785 -1.498 1.00 0.00 H new ATOM 1296 N MET A 90 -2.453 -7.979 -4.999 1.00 0.00 N ATOM 1297 CA MET A 90 -1.478 -8.025 -6.119 1.00 0.00 C ATOM 1298 C MET A 90 -1.825 -9.170 -7.067 1.00 0.00 C ATOM 1299 O MET A 90 -1.579 -10.323 -6.782 1.00 0.00 O ATOM 1300 CB MET A 90 -0.125 -8.267 -5.452 1.00 0.00 C ATOM 1301 CG MET A 90 0.958 -7.427 -6.135 1.00 0.00 C ATOM 1302 SD MET A 90 0.490 -5.678 -6.118 1.00 0.00 S ATOM 1303 CE MET A 90 0.198 -5.511 -7.898 1.00 0.00 C ATOM 0 H MET A 90 -2.391 -8.749 -4.333 1.00 0.00 H new ATOM 0 HA MET A 90 -1.480 -7.111 -6.712 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.182 -8.010 -4.394 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.134 -9.324 -5.510 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.911 -7.562 -5.623 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.097 -7.764 -7.162 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.415 -4.629 -8.085 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.152 -5.407 -8.415 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.319 -6.397 -8.267 1.00 0.00 H new ATOM 1313 N THR A 91 -2.396 -8.858 -8.193 1.00 0.00 N ATOM 1314 CA THR A 91 -2.758 -9.927 -9.163 1.00 0.00 C ATOM 1315 C THR A 91 -1.684 -10.026 -10.248 1.00 0.00 C ATOM 1316 O THR A 91 -0.840 -9.163 -10.364 1.00 0.00 O ATOM 1317 CB THR A 91 -4.093 -9.484 -9.761 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.171 -8.066 -9.735 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.240 -10.074 -8.940 1.00 0.00 C ATOM 0 H THR A 91 -2.628 -7.909 -8.485 1.00 0.00 H new ATOM 0 HA THR A 91 -2.833 -10.909 -8.696 1.00 0.00 H new ATOM 0 HB THR A 91 -4.167 -9.835 -10.790 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.111 -7.790 -9.745 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.192 -9.758 -9.366 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.178 -11.162 -8.957 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.169 -9.723 -7.911 1.00 0.00 H new ATOM 1327 N PRO A 92 -1.754 -11.084 -11.009 1.00 0.00 N ATOM 1328 CA PRO A 92 -0.773 -11.301 -12.097 1.00 0.00 C ATOM 1329 C PRO A 92 -1.033 -10.334 -13.258 1.00 0.00 C ATOM 1330 O PRO A 92 -0.324 -10.330 -14.245 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.009 -12.751 -12.508 1.00 0.00 C ATOM 1332 CG PRO A 92 -2.416 -13.053 -12.099 1.00 0.00 C ATOM 1333 CD PRO A 92 -2.744 -12.161 -10.928 1.00 0.00 C ATOM 0 HA PRO A 92 0.258 -11.120 -11.792 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.875 -12.882 -13.582 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.304 -13.420 -12.014 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.104 -12.871 -12.925 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.519 -14.103 -11.823 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.761 -11.773 -10.995 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.670 -12.700 -9.984 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.033 -9.503 -13.138 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.324 -8.523 -14.225 1.00 0.00 C ATOM 1343 C GLU A 93 -1.985 -7.108 -13.744 1.00 0.00 C ATOM 1344 O GLU A 93 -1.571 -6.262 -14.511 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.823 -8.658 -14.508 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.596 -8.727 -13.189 1.00 0.00 C ATOM 1347 CD GLU A 93 -6.060 -8.363 -13.436 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -6.635 -8.896 -14.371 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -6.583 -7.556 -12.685 1.00 0.00 O ATOM 0 H GLU A 93 -2.661 -9.460 -12.335 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.735 -8.710 -15.123 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.169 -7.810 -15.099 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.012 -9.555 -15.098 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.526 -9.729 -12.766 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.158 -8.043 -12.462 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.147 -6.853 -12.472 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.823 -5.501 -11.924 1.00 0.00 C ATOM 1358 C LEU A 94 -0.412 -5.510 -11.381 1.00 0.00 C ATOM 1359 O LEU A 94 -0.102 -4.902 -10.376 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.816 -5.290 -10.794 1.00 0.00 C ATOM 1361 CG LEU A 94 -4.234 -5.588 -11.287 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -5.239 -4.889 -10.373 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -4.399 -5.081 -12.727 1.00 0.00 C ATOM 0 H LEU A 94 -2.491 -7.525 -11.786 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.887 -4.714 -12.675 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.569 -5.940 -9.955 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.755 -4.264 -10.431 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.410 -6.663 -11.268 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.251 -5.097 -10.719 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.121 -5.257 -9.354 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.063 -3.814 -10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.410 -5.295 -13.075 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.225 -4.005 -12.756 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.679 -5.582 -13.374 1.00 0.00 H new ATOM 1375 N ASP A 95 0.428 -6.236 -12.028 1.00 0.00 N ATOM 1376 CA ASP A 95 1.828 -6.359 -11.562 1.00 0.00 C ATOM 1377 C ASP A 95 2.721 -5.258 -12.129 1.00 0.00 C ATOM 1378 O ASP A 95 2.451 -4.690 -13.167 1.00 0.00 O ATOM 1379 CB ASP A 95 2.256 -7.742 -12.052 1.00 0.00 C ATOM 1380 CG ASP A 95 2.779 -7.659 -13.491 1.00 0.00 C ATOM 1381 OD1 ASP A 95 1.989 -7.360 -14.371 1.00 0.00 O ATOM 1382 OD2 ASP A 95 3.961 -7.896 -13.684 1.00 0.00 O ATOM 0 H ASP A 95 0.208 -6.761 -12.874 1.00 0.00 H new ATOM 0 HA ASP A 95 1.915 -6.251 -10.481 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.031 -8.143 -11.399 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.412 -8.430 -12.004 1.00 0.00 H new ATOM 1387 N GLY A 96 3.783 -4.952 -11.431 1.00 0.00 N ATOM 1388 CA GLY A 96 4.698 -3.875 -11.889 1.00 0.00 C ATOM 1389 C GLY A 96 4.271 -2.595 -11.195 1.00 0.00 C ATOM 1390 O GLY A 96 4.492 -1.504 -11.679 1.00 0.00 O ATOM 0 H GLY A 96 4.054 -5.407 -10.559 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.732 -4.119 -11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.646 -3.761 -12.972 1.00 0.00 H new ATOM 1394 N ILE A 97 3.624 -2.732 -10.074 1.00 0.00 N ATOM 1395 CA ILE A 97 3.117 -1.539 -9.355 1.00 0.00 C ATOM 1396 C ILE A 97 4.195 -0.848 -8.540 1.00 0.00 C ATOM 1397 O ILE A 97 5.137 -1.452 -8.065 1.00 0.00 O ATOM 1398 CB ILE A 97 2.024 -2.077 -8.433 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.450 -0.915 -7.601 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.612 -3.162 -7.522 1.00 0.00 C ATOM 1401 CD1 ILE A 97 2.152 -0.808 -6.244 1.00 0.00 C ATOM 0 H ILE A 97 3.425 -3.625 -9.624 1.00 0.00 H new ATOM 0 HA ILE A 97 2.756 -0.787 -10.057 1.00 0.00 H new ATOM 0 HB ILE A 97 1.220 -2.519 -9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.566 0.020 -8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.381 -1.065 -7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.833 -3.546 -6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.005 -3.975 -8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.416 -2.737 -6.922 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.726 0.021 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.013 -1.736 -5.689 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.217 -0.633 -6.398 1.00 0.00 H new ATOM 1413 N VAL A 98 4.029 0.427 -8.355 1.00 0.00 N ATOM 1414 CA VAL A 98 4.997 1.205 -7.546 1.00 0.00 C ATOM 1415 C VAL A 98 4.292 1.665 -6.275 1.00 0.00 C ATOM 1416 O VAL A 98 3.263 2.310 -6.333 1.00 0.00 O ATOM 1417 CB VAL A 98 5.379 2.402 -8.415 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.553 3.145 -7.773 1.00 0.00 C ATOM 1419 CG2 VAL A 98 5.786 1.912 -9.806 1.00 0.00 C ATOM 0 H VAL A 98 3.253 0.969 -8.735 1.00 0.00 H new ATOM 0 HA VAL A 98 5.880 0.633 -7.259 1.00 0.00 H new ATOM 0 HB VAL A 98 4.526 3.075 -8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.826 3.999 -8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.264 3.494 -6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.406 2.472 -7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.059 2.765 -10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.639 1.239 -9.719 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.951 1.382 -10.264 1.00 0.00 H new ATOM 1429 N VAL A 99 4.810 1.339 -5.130 1.00 0.00 N ATOM 1430 CA VAL A 99 4.124 1.765 -3.883 1.00 0.00 C ATOM 1431 C VAL A 99 4.852 2.918 -3.269 1.00 0.00 C ATOM 1432 O VAL A 99 5.837 3.404 -3.772 1.00 0.00 O ATOM 1433 CB VAL A 99 4.231 0.615 -2.887 1.00 0.00 C ATOM 1434 CG1 VAL A 99 3.041 0.632 -1.936 1.00 0.00 C ATOM 1435 CG2 VAL A 99 4.284 -0.702 -3.612 1.00 0.00 C ATOM 0 H VAL A 99 5.668 0.803 -5.002 1.00 0.00 H new ATOM 0 HA VAL A 99 3.093 2.038 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 99 5.149 0.739 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.128 -0.193 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.024 1.576 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.118 0.526 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.360 -1.513 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.378 -0.828 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.153 -0.720 -4.270 1.00 0.00 H new ATOM 1445 N ASP A 100 4.391 3.309 -2.145 1.00 0.00 N ATOM 1446 CA ASP A 100 5.063 4.380 -1.416 1.00 0.00 C ATOM 1447 C ASP A 100 4.612 4.351 0.028 1.00 0.00 C ATOM 1448 O ASP A 100 3.434 4.340 0.327 1.00 0.00 O ATOM 1449 CB ASP A 100 4.665 5.696 -2.060 1.00 0.00 C ATOM 1450 CG ASP A 100 5.429 5.890 -3.372 1.00 0.00 C ATOM 1451 OD1 ASP A 100 6.507 6.459 -3.328 1.00 0.00 O ATOM 1452 OD2 ASP A 100 4.922 5.466 -4.398 1.00 0.00 O ATOM 0 H ASP A 100 3.562 2.927 -1.690 1.00 0.00 H new ATOM 0 HA ASP A 100 6.146 4.259 -1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.592 5.707 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.877 6.522 -1.381 1.00 0.00 H new ATOM 1457 N VAL A 101 5.529 4.373 0.917 1.00 0.00 N ATOM 1458 CA VAL A 101 5.145 4.385 2.352 1.00 0.00 C ATOM 1459 C VAL A 101 4.988 5.848 2.773 1.00 0.00 C ATOM 1460 O VAL A 101 5.948 6.592 2.809 1.00 0.00 O ATOM 1461 CB VAL A 101 6.283 3.684 3.102 1.00 0.00 C ATOM 1462 CG1 VAL A 101 6.103 3.887 4.608 1.00 0.00 C ATOM 1463 CG2 VAL A 101 6.252 2.179 2.788 1.00 0.00 C ATOM 0 H VAL A 101 6.531 4.383 0.729 1.00 0.00 H new ATOM 0 HA VAL A 101 4.206 3.873 2.563 1.00 0.00 H new ATOM 0 HB VAL A 101 7.238 4.105 2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.912 3.389 5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.120 4.953 4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.148 3.465 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.061 1.679 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.296 1.761 3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.377 2.028 1.716 1.00 0.00 H new ATOM 1473 N PRO A 102 3.763 6.224 3.020 1.00 0.00 N ATOM 1474 CA PRO A 102 3.445 7.632 3.374 1.00 0.00 C ATOM 1475 C PRO A 102 4.068 8.046 4.711 1.00 0.00 C ATOM 1476 O PRO A 102 3.991 7.337 5.694 1.00 0.00 O ATOM 1477 CB PRO A 102 1.918 7.637 3.465 1.00 0.00 C ATOM 1478 CG PRO A 102 1.553 6.218 3.745 1.00 0.00 C ATOM 1479 CD PRO A 102 2.563 5.380 3.010 1.00 0.00 C ATOM 0 HA PRO A 102 3.841 8.339 2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.570 8.300 4.258 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.467 7.987 2.536 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.579 6.012 4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.541 6.000 3.403 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.736 4.427 3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.237 5.154 1.995 1.00 0.00 H new