USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 618 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 14 THR OG1 : rot 180:sc= -0.0212 USER MOD Set 1.2: A 17 MET CE :methyl -155:sc= -2.47 (180deg=-4) USER MOD Single : A 1 GLY N :NH3+ 153:sc= 0.00245 (180deg=0) USER MOD Single : A 2 SER OG : rot 62:sc= 0.137 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 50:sc= 0.00721 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -52:sc= 0.495 USER MOD Single : A 18 THR OG1 : rot 158:sc= -1.01 USER MOD Single : A 27 SER OG : rot -66:sc= 0.642 USER MOD Single : A 28 GLN : amide:sc= 1.11 K(o=1.1,f=-0.018) USER MOD Single : A 29 TYR OH : rot 38:sc= 0.033 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -35:sc= 0.00552 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -1.14 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.256 K(o=-0.26,f=-0.88) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.622 K(o=-0.62,f=-1.3) USER MOD Single : A 80 ASN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.165 K(o=-0.16,f=-1.9) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 47:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.393 20.685 3.535 1.00 0.00 N ATOM 2 CA GLY A 1 -12.536 19.587 3.944 1.00 0.00 C ATOM 3 C GLY A 1 -13.238 18.245 3.870 1.00 0.00 C ATOM 4 O GLY A 1 -14.414 18.134 4.215 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.085 21.560 4.005 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.333 20.807 2.504 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.376 20.476 3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.650 19.566 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.193 19.758 4.964 1.00 0.00 H new ATOM 8 N SER A 2 -12.516 17.225 3.419 1.00 0.00 N ATOM 9 CA SER A 2 -13.078 15.886 3.296 1.00 0.00 C ATOM 10 C SER A 2 -11.981 14.856 3.042 1.00 0.00 C ATOM 11 O SER A 2 -12.014 14.130 2.047 1.00 0.00 O ATOM 12 CB SER A 2 -14.107 15.843 2.165 1.00 0.00 C ATOM 13 OG SER A 2 -13.529 16.247 0.935 1.00 0.00 O ATOM 0 H SER A 2 -11.540 17.301 3.133 1.00 0.00 H new ATOM 0 HA SER A 2 -13.572 15.639 4.236 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.505 14.833 2.069 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.946 16.495 2.408 1.00 0.00 H new ATOM 0 HG SER A 2 -12.805 15.632 0.696 1.00 0.00 H new ATOM 19 N SER A 3 -11.009 14.800 3.946 1.00 0.00 N ATOM 20 CA SER A 3 -9.900 13.862 3.818 1.00 0.00 C ATOM 21 C SER A 3 -9.252 13.973 2.441 1.00 0.00 C ATOM 22 O SER A 3 -9.712 13.364 1.477 1.00 0.00 O ATOM 23 CB SER A 3 -10.383 12.431 4.055 1.00 0.00 C ATOM 24 OG SER A 3 -10.612 12.191 5.433 1.00 0.00 O ATOM 0 H SER A 3 -10.967 15.393 4.775 1.00 0.00 H new ATOM 0 HA SER A 3 -9.155 14.114 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.302 12.257 3.495 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.641 11.727 3.678 1.00 0.00 H new ATOM 0 HG SER A 3 -10.922 11.270 5.558 1.00 0.00 H new ATOM 30 N GLY A 4 -8.180 14.754 2.359 1.00 0.00 N ATOM 31 CA GLY A 4 -7.486 14.930 1.096 1.00 0.00 C ATOM 32 C GLY A 4 -6.443 13.858 0.854 1.00 0.00 C ATOM 33 O GLY A 4 -5.256 14.156 0.717 1.00 0.00 O ATOM 0 H GLY A 4 -7.779 15.268 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.211 14.918 0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.007 15.909 1.082 1.00 0.00 H new ATOM 37 N SER A 5 -6.885 12.605 0.801 1.00 0.00 N ATOM 38 CA SER A 5 -5.980 11.484 0.579 1.00 0.00 C ATOM 39 C SER A 5 -6.748 10.251 0.111 1.00 0.00 C ATOM 40 O SER A 5 -7.860 9.989 0.568 1.00 0.00 O ATOM 41 CB SER A 5 -5.208 11.163 1.860 1.00 0.00 C ATOM 42 OG SER A 5 -3.846 11.534 1.741 1.00 0.00 O ATOM 0 H SER A 5 -7.864 12.341 0.909 1.00 0.00 H new ATOM 0 HA SER A 5 -5.273 11.768 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.659 11.689 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.280 10.097 2.074 1.00 0.00 H new ATOM 0 HG SER A 5 -3.785 12.453 1.407 1.00 0.00 H new ATOM 48 N SER A 6 -6.144 9.498 -0.804 1.00 0.00 N ATOM 49 CA SER A 6 -6.772 8.295 -1.337 1.00 0.00 C ATOM 50 C SER A 6 -5.810 7.112 -1.285 1.00 0.00 C ATOM 51 O SER A 6 -5.193 6.754 -2.287 1.00 0.00 O ATOM 52 CB SER A 6 -7.231 8.530 -2.778 1.00 0.00 C ATOM 53 OG SER A 6 -7.541 9.895 -2.998 1.00 0.00 O ATOM 0 H SER A 6 -5.222 9.700 -1.191 1.00 0.00 H new ATOM 0 HA SER A 6 -7.640 8.063 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.448 8.216 -3.468 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.107 7.916 -2.989 1.00 0.00 H new ATOM 0 HG SER A 6 -7.830 10.019 -3.926 1.00 0.00 H new ATOM 59 N GLY A 7 -5.687 6.509 -0.106 1.00 0.00 N ATOM 60 CA GLY A 7 -4.799 5.373 0.057 1.00 0.00 C ATOM 61 C GLY A 7 -5.181 4.503 1.238 1.00 0.00 C ATOM 62 O GLY A 7 -5.920 4.934 2.122 1.00 0.00 O ATOM 0 H GLY A 7 -6.187 6.787 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.812 4.772 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.778 5.730 0.188 1.00 0.00 H new ATOM 66 N VAL A 8 -4.678 3.273 1.252 1.00 0.00 N ATOM 67 CA VAL A 8 -4.971 2.339 2.333 1.00 0.00 C ATOM 68 C VAL A 8 -3.720 1.578 2.755 1.00 0.00 C ATOM 69 O VAL A 8 -2.763 1.460 1.990 1.00 0.00 O ATOM 70 CB VAL A 8 -6.059 1.329 1.922 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.387 2.037 1.699 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.635 0.566 0.677 1.00 0.00 C ATOM 0 H VAL A 8 -4.065 2.900 0.527 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.334 2.931 3.174 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.189 0.611 2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.144 1.308 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.694 2.533 2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.276 2.778 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.416 -0.143 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.475 1.267 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.710 0.026 0.878 1.00 0.00 H new ATOM 82 N PHE A 9 -3.733 1.060 3.980 1.00 0.00 N ATOM 83 CA PHE A 9 -2.599 0.309 4.505 1.00 0.00 C ATOM 84 C PHE A 9 -2.807 -1.190 4.319 1.00 0.00 C ATOM 85 O PHE A 9 -3.741 -1.774 4.871 1.00 0.00 O ATOM 86 CB PHE A 9 -2.394 0.626 5.988 1.00 0.00 C ATOM 87 CG PHE A 9 -1.702 1.938 6.230 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.409 2.148 5.779 1.00 0.00 C ATOM 89 CD2 PHE A 9 -2.346 2.960 6.909 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.229 3.353 6.001 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.711 4.168 7.133 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.423 4.365 6.678 1.00 0.00 C ATOM 0 H PHE A 9 -4.517 1.147 4.627 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.709 0.606 3.950 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.363 0.638 6.486 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.811 -0.173 6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.106 1.361 5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.354 2.812 7.267 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.238 3.504 5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.223 4.957 7.664 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.074 5.308 6.851 1.00 0.00 H new ATOM 102 N VAL A 10 -1.930 -1.811 3.536 1.00 0.00 N ATOM 103 CA VAL A 10 -2.015 -3.243 3.276 1.00 0.00 C ATOM 104 C VAL A 10 -1.217 -4.037 4.304 1.00 0.00 C ATOM 105 O VAL A 10 -0.062 -4.391 4.071 1.00 0.00 O ATOM 106 CB VAL A 10 -1.502 -3.589 1.866 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.474 -5.096 1.661 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.361 -2.914 0.806 1.00 0.00 C ATOM 0 H VAL A 10 -1.152 -1.344 3.070 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.068 -3.515 3.349 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.483 -3.215 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.109 -5.320 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.813 -5.551 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.480 -5.498 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.984 -3.169 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.392 -3.256 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.323 -1.833 0.941 1.00 0.00 H new ATOM 118 N GLY A 11 -1.842 -4.314 5.445 1.00 0.00 N ATOM 119 CA GLY A 11 -1.176 -5.064 6.493 1.00 0.00 C ATOM 120 C GLY A 11 -0.892 -6.497 6.088 1.00 0.00 C ATOM 121 O GLY A 11 -1.123 -6.883 4.942 1.00 0.00 O ATOM 0 H GLY A 11 -2.798 -4.032 5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.239 -4.570 6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.796 -5.059 7.390 1.00 0.00 H new ATOM 125 N ARG A 12 -0.388 -7.288 7.030 1.00 0.00 N ATOM 126 CA ARG A 12 -0.069 -8.686 6.765 1.00 0.00 C ATOM 127 C ARG A 12 0.606 -8.840 5.406 1.00 0.00 C ATOM 128 O ARG A 12 0.084 -9.513 4.515 1.00 0.00 O ATOM 129 CB ARG A 12 -1.338 -9.539 6.817 1.00 0.00 C ATOM 130 CG ARG A 12 -1.973 -9.603 8.196 1.00 0.00 C ATOM 131 CD ARG A 12 -3.417 -10.075 8.123 1.00 0.00 C ATOM 132 NE ARG A 12 -4.055 -10.090 9.437 1.00 0.00 N ATOM 133 CZ ARG A 12 -5.297 -10.513 9.647 1.00 0.00 C ATOM 134 NH1 ARG A 12 -6.029 -10.955 8.633 1.00 0.00 N ATOM 135 NH2 ARG A 12 -5.806 -10.496 10.871 1.00 0.00 N ATOM 0 H ARG A 12 -0.192 -6.984 7.984 1.00 0.00 H new ATOM 0 HA ARG A 12 0.622 -9.028 7.535 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.064 -9.138 6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.099 -10.551 6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.400 -10.279 8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.934 -8.618 8.662 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.978 -9.422 7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.450 -11.076 7.693 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.517 -9.757 10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.639 -10.970 7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.982 -11.279 8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.244 -10.158 11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.759 -10.821 11.031 1.00 0.00 H new ATOM 149 N CYS A 13 1.767 -8.215 5.253 1.00 0.00 N ATOM 150 CA CYS A 13 2.514 -8.282 4.002 1.00 0.00 C ATOM 151 C CYS A 13 3.891 -8.900 4.222 1.00 0.00 C ATOM 152 O CYS A 13 4.282 -9.183 5.355 1.00 0.00 O ATOM 153 CB CYS A 13 2.658 -6.886 3.394 1.00 0.00 C ATOM 154 SG CYS A 13 1.827 -6.684 1.801 1.00 0.00 S ATOM 0 H CYS A 13 2.212 -7.655 5.980 1.00 0.00 H new ATOM 0 HA CYS A 13 1.959 -8.916 3.310 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.259 -6.153 4.095 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.718 -6.663 3.269 1.00 0.00 H new ATOM 0 HG CYS A 13 2.196 -7.635 0.995 1.00 0.00 H new ATOM 160 N THR A 14 4.622 -9.107 3.131 1.00 0.00 N ATOM 161 CA THR A 14 5.954 -9.693 3.205 1.00 0.00 C ATOM 162 C THR A 14 6.943 -8.922 2.338 1.00 0.00 C ATOM 163 O THR A 14 6.679 -8.654 1.168 1.00 0.00 O ATOM 164 CB THR A 14 5.944 -11.170 2.763 1.00 0.00 C ATOM 165 OG1 THR A 14 5.933 -11.252 1.333 1.00 0.00 O ATOM 166 CG2 THR A 14 4.731 -11.894 3.327 1.00 0.00 C ATOM 0 H THR A 14 4.314 -8.877 2.186 1.00 0.00 H new ATOM 0 HA THR A 14 6.267 -9.635 4.248 1.00 0.00 H new ATOM 0 HB THR A 14 6.845 -11.649 3.147 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.928 -12.193 1.059 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.745 -12.934 3.002 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.757 -11.853 4.416 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.821 -11.414 2.968 1.00 0.00 H new ATOM 174 N GLY A 15 8.084 -8.569 2.922 1.00 0.00 N ATOM 175 CA GLY A 15 9.096 -7.832 2.187 1.00 0.00 C ATOM 176 C GLY A 15 9.226 -8.300 0.751 1.00 0.00 C ATOM 177 O GLY A 15 9.281 -7.486 -0.171 1.00 0.00 O ATOM 0 H GLY A 15 8.326 -8.780 3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.848 -6.771 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.057 -7.941 2.690 1.00 0.00 H new ATOM 181 N ASP A 16 9.275 -9.614 0.560 1.00 0.00 N ATOM 182 CA ASP A 16 9.399 -10.188 -0.775 1.00 0.00 C ATOM 183 C ASP A 16 8.558 -9.410 -1.782 1.00 0.00 C ATOM 184 O ASP A 16 9.023 -9.087 -2.874 1.00 0.00 O ATOM 185 CB ASP A 16 8.974 -11.657 -0.762 1.00 0.00 C ATOM 186 CG ASP A 16 10.152 -12.603 -0.874 1.00 0.00 C ATOM 187 OD1 ASP A 16 10.947 -12.452 -1.826 1.00 0.00 O ATOM 188 OD2 ASP A 16 10.283 -13.494 -0.008 1.00 0.00 O ATOM 0 H ASP A 16 9.231 -10.301 1.312 1.00 0.00 H new ATOM 0 HA ASP A 16 10.444 -10.123 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.430 -11.866 0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.286 -11.840 -1.587 1.00 0.00 H new ATOM 193 N MET A 17 7.318 -9.113 -1.406 1.00 0.00 N ATOM 194 CA MET A 17 6.413 -8.373 -2.277 1.00 0.00 C ATOM 195 C MET A 17 6.998 -7.011 -2.638 1.00 0.00 C ATOM 196 O MET A 17 7.469 -6.276 -1.770 1.00 0.00 O ATOM 197 CB MET A 17 5.053 -8.194 -1.599 1.00 0.00 C ATOM 198 CG MET A 17 4.203 -9.454 -1.599 1.00 0.00 C ATOM 199 SD MET A 17 2.599 -9.210 -0.812 1.00 0.00 S ATOM 200 CE MET A 17 2.199 -10.888 -0.332 1.00 0.00 C ATOM 0 H MET A 17 6.918 -9.373 -0.505 1.00 0.00 H new ATOM 0 HA MET A 17 6.281 -8.946 -3.195 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.209 -7.871 -0.570 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.507 -7.397 -2.104 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.053 -9.786 -2.626 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.740 -10.250 -1.082 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.117 -10.995 -0.251 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.577 -11.581 -1.083 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.659 -11.110 0.631 1.00 0.00 H new ATOM 210 N THR A 18 6.965 -6.680 -3.924 1.00 0.00 N ATOM 211 CA THR A 18 7.493 -5.408 -4.400 1.00 0.00 C ATOM 212 C THR A 18 6.370 -4.478 -4.844 1.00 0.00 C ATOM 213 O THR A 18 5.308 -4.932 -5.271 1.00 0.00 O ATOM 214 CB THR A 18 8.471 -5.609 -5.573 1.00 0.00 C ATOM 215 OG1 THR A 18 7.971 -6.615 -6.461 1.00 0.00 O ATOM 216 CG2 THR A 18 9.848 -6.012 -5.066 1.00 0.00 C ATOM 0 H THR A 18 6.578 -7.276 -4.656 1.00 0.00 H new ATOM 0 HA THR A 18 8.027 -4.956 -3.565 1.00 0.00 H new ATOM 0 HB THR A 18 8.560 -4.664 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.372 -6.498 -7.347 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.522 -6.148 -5.912 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.238 -5.231 -4.413 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.772 -6.946 -4.509 1.00 0.00 H new ATOM 224 N GLU A 19 6.611 -3.174 -4.743 1.00 0.00 N ATOM 225 CA GLU A 19 5.618 -2.181 -5.134 1.00 0.00 C ATOM 226 C GLU A 19 4.946 -2.573 -6.448 1.00 0.00 C ATOM 227 O GLU A 19 3.754 -2.334 -6.642 1.00 0.00 O ATOM 228 CB GLU A 19 6.269 -0.804 -5.272 1.00 0.00 C ATOM 229 CG GLU A 19 6.779 -0.237 -3.957 1.00 0.00 C ATOM 230 CD GLU A 19 8.276 -0.406 -3.791 1.00 0.00 C ATOM 231 OE1 GLU A 19 8.852 -1.289 -4.460 1.00 0.00 O ATOM 232 OE2 GLU A 19 8.872 0.346 -2.991 1.00 0.00 O ATOM 0 H GLU A 19 7.485 -2.781 -4.394 1.00 0.00 H new ATOM 0 HA GLU A 19 4.857 -2.138 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.099 -0.873 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.545 -0.111 -5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.528 0.822 -3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.268 -0.730 -3.130 1.00 0.00 H new ATOM 239 N ASP A 20 5.720 -3.172 -7.345 1.00 0.00 N ATOM 240 CA ASP A 20 5.201 -3.597 -8.640 1.00 0.00 C ATOM 241 C ASP A 20 4.119 -4.657 -8.470 1.00 0.00 C ATOM 242 O ASP A 20 2.988 -4.480 -8.924 1.00 0.00 O ATOM 243 CB ASP A 20 6.334 -4.141 -9.513 1.00 0.00 C ATOM 244 CG ASP A 20 7.099 -5.262 -8.836 1.00 0.00 C ATOM 245 OD1 ASP A 20 6.609 -6.410 -8.856 1.00 0.00 O ATOM 246 OD2 ASP A 20 8.187 -4.989 -8.287 1.00 0.00 O ATOM 0 H ASP A 20 6.709 -3.375 -7.200 1.00 0.00 H new ATOM 0 HA ASP A 20 4.760 -2.729 -9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.921 -4.503 -10.455 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.022 -3.331 -9.757 1.00 0.00 H new ATOM 251 N GLU A 21 4.473 -5.758 -7.816 1.00 0.00 N ATOM 252 CA GLU A 21 3.531 -6.848 -7.589 1.00 0.00 C ATOM 253 C GLU A 21 2.162 -6.308 -7.182 1.00 0.00 C ATOM 254 O GLU A 21 1.177 -6.472 -7.904 1.00 0.00 O ATOM 255 CB GLU A 21 4.059 -7.793 -6.508 1.00 0.00 C ATOM 256 CG GLU A 21 5.368 -8.470 -6.879 1.00 0.00 C ATOM 257 CD GLU A 21 5.372 -9.951 -6.554 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.467 -10.666 -7.030 1.00 0.00 O ATOM 259 OE2 GLU A 21 6.281 -10.394 -5.821 1.00 0.00 O ATOM 0 H GLU A 21 5.405 -5.919 -7.434 1.00 0.00 H new ATOM 0 HA GLU A 21 3.423 -7.400 -8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.199 -7.232 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.308 -8.557 -6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.553 -8.335 -7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.187 -7.984 -6.349 1.00 0.00 H new ATOM 266 N LEU A 22 2.109 -5.664 -6.022 1.00 0.00 N ATOM 267 CA LEU A 22 0.862 -5.099 -5.517 1.00 0.00 C ATOM 268 C LEU A 22 0.241 -4.150 -6.538 1.00 0.00 C ATOM 269 O LEU A 22 -0.963 -4.196 -6.790 1.00 0.00 O ATOM 270 CB LEU A 22 1.109 -4.359 -4.201 1.00 0.00 C ATOM 271 CG LEU A 22 1.774 -5.172 -3.088 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.665 -4.282 -2.236 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.721 -5.858 -2.229 1.00 0.00 C ATOM 0 H LEU A 22 2.914 -5.520 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 22 0.166 -5.919 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.731 -3.488 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.153 -3.988 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 22 2.397 -5.940 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.129 -4.878 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.440 -3.838 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.065 -3.491 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.211 -6.432 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.072 -5.106 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.125 -6.528 -2.849 1.00 0.00 H new ATOM 285 N ARG A 23 1.071 -3.293 -7.123 1.00 0.00 N ATOM 286 CA ARG A 23 0.604 -2.334 -8.116 1.00 0.00 C ATOM 287 C ARG A 23 -0.129 -3.042 -9.252 1.00 0.00 C ATOM 288 O ARG A 23 -1.073 -2.501 -9.827 1.00 0.00 O ATOM 289 CB ARG A 23 1.781 -1.534 -8.677 1.00 0.00 C ATOM 290 CG ARG A 23 1.362 -0.378 -9.571 1.00 0.00 C ATOM 291 CD ARG A 23 2.256 0.835 -9.371 1.00 0.00 C ATOM 292 NE ARG A 23 2.365 1.640 -10.585 1.00 0.00 N ATOM 293 CZ ARG A 23 2.984 1.230 -11.686 1.00 0.00 C ATOM 294 NH1 ARG A 23 3.546 0.030 -11.726 1.00 0.00 N ATOM 295 NH2 ARG A 23 3.042 2.020 -12.749 1.00 0.00 N ATOM 0 H ARG A 23 2.071 -3.243 -6.926 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.091 -1.651 -7.626 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.373 -1.145 -7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.428 -2.204 -9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.401 -0.691 -10.614 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.328 -0.108 -9.357 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.858 1.449 -8.563 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.249 0.507 -9.063 1.00 0.00 H new ATOM 0 HE ARG A 23 1.942 2.568 -10.587 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.503 -0.581 -10.910 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.021 -0.283 -12.573 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.611 2.944 -12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.518 1.704 -13.594 1.00 0.00 H new ATOM 309 N GLU A 24 0.312 -4.255 -9.569 1.00 0.00 N ATOM 310 CA GLU A 24 -0.302 -5.036 -10.636 1.00 0.00 C ATOM 311 C GLU A 24 -1.446 -5.889 -10.097 1.00 0.00 C ATOM 312 O GLU A 24 -2.303 -6.346 -10.853 1.00 0.00 O ATOM 313 CB GLU A 24 0.742 -5.929 -11.310 1.00 0.00 C ATOM 314 CG GLU A 24 0.855 -5.708 -12.810 1.00 0.00 C ATOM 315 CD GLU A 24 2.280 -5.840 -13.312 1.00 0.00 C ATOM 316 OE1 GLU A 24 3.023 -6.689 -12.777 1.00 0.00 O ATOM 317 OE2 GLU A 24 2.651 -5.094 -14.244 1.00 0.00 O ATOM 0 H GLU A 24 1.092 -4.718 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.706 -4.342 -11.373 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.714 -5.748 -10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.490 -6.973 -11.123 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.223 -6.429 -13.329 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.477 -4.716 -13.057 1.00 0.00 H new ATOM 324 N PHE A 25 -1.451 -6.102 -8.786 1.00 0.00 N ATOM 325 CA PHE A 25 -2.488 -6.902 -8.145 1.00 0.00 C ATOM 326 C PHE A 25 -3.728 -6.058 -7.861 1.00 0.00 C ATOM 327 O PHE A 25 -4.844 -6.574 -7.807 1.00 0.00 O ATOM 328 CB PHE A 25 -1.961 -7.509 -6.843 1.00 0.00 C ATOM 329 CG PHE A 25 -2.967 -8.368 -6.132 1.00 0.00 C ATOM 330 CD1 PHE A 25 -4.004 -7.794 -5.414 1.00 0.00 C ATOM 331 CD2 PHE A 25 -2.877 -9.750 -6.181 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.931 -8.582 -4.758 1.00 0.00 C ATOM 333 CE2 PHE A 25 -3.801 -10.544 -5.528 1.00 0.00 C ATOM 334 CZ PHE A 25 -4.829 -9.959 -4.817 1.00 0.00 C ATOM 0 H PHE A 25 -0.748 -5.732 -8.146 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.766 -7.706 -8.826 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.076 -8.106 -7.062 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.647 -6.705 -6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.089 -6.718 -5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.075 -10.213 -6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.734 -8.122 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.719 -11.620 -5.574 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.553 -10.577 -4.307 1.00 0.00 H new ATOM 344 N PHE A 26 -3.522 -4.758 -7.679 1.00 0.00 N ATOM 345 CA PHE A 26 -4.622 -3.842 -7.399 1.00 0.00 C ATOM 346 C PHE A 26 -5.112 -3.174 -8.679 1.00 0.00 C ATOM 347 O PHE A 26 -6.149 -2.510 -8.689 1.00 0.00 O ATOM 348 CB PHE A 26 -4.184 -2.779 -6.389 1.00 0.00 C ATOM 349 CG PHE A 26 -3.921 -3.329 -5.017 1.00 0.00 C ATOM 350 CD1 PHE A 26 -4.912 -4.007 -4.326 1.00 0.00 C ATOM 351 CD2 PHE A 26 -2.682 -3.166 -4.417 1.00 0.00 C ATOM 352 CE1 PHE A 26 -4.672 -4.512 -3.062 1.00 0.00 C ATOM 353 CE2 PHE A 26 -2.438 -3.670 -3.153 1.00 0.00 C ATOM 354 CZ PHE A 26 -3.434 -4.346 -2.476 1.00 0.00 C ATOM 0 H PHE A 26 -2.604 -4.315 -7.720 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.444 -4.419 -6.974 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.281 -2.291 -6.756 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.956 -2.012 -6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.883 -4.142 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.899 -2.640 -4.943 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.454 -5.037 -2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.469 -3.535 -2.695 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.244 -4.744 -1.490 1.00 0.00 H new ATOM 364 N SER A 27 -4.358 -3.352 -9.760 1.00 0.00 N ATOM 365 CA SER A 27 -4.713 -2.762 -11.045 1.00 0.00 C ATOM 366 C SER A 27 -5.955 -3.431 -11.626 1.00 0.00 C ATOM 367 O SER A 27 -6.647 -2.855 -12.465 1.00 0.00 O ATOM 368 CB SER A 27 -3.546 -2.889 -12.027 1.00 0.00 C ATOM 369 OG SER A 27 -3.396 -4.226 -12.472 1.00 0.00 O ATOM 0 H SER A 27 -3.498 -3.900 -9.771 1.00 0.00 H new ATOM 0 HA SER A 27 -4.932 -1.706 -10.884 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.714 -2.235 -12.882 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.625 -2.557 -11.547 1.00 0.00 H new ATOM 0 HG SER A 27 -3.125 -4.793 -11.720 1.00 0.00 H new ATOM 375 N GLN A 28 -6.230 -4.650 -11.171 1.00 0.00 N ATOM 376 CA GLN A 28 -7.388 -5.397 -11.647 1.00 0.00 C ATOM 377 C GLN A 28 -8.655 -4.957 -10.921 1.00 0.00 C ATOM 378 O GLN A 28 -9.764 -5.328 -11.306 1.00 0.00 O ATOM 379 CB GLN A 28 -7.169 -6.899 -11.449 1.00 0.00 C ATOM 380 CG GLN A 28 -7.014 -7.304 -9.992 1.00 0.00 C ATOM 381 CD GLN A 28 -6.552 -8.739 -9.832 1.00 0.00 C ATOM 382 OE1 GLN A 28 -7.170 -9.665 -10.358 1.00 0.00 O ATOM 383 NE2 GLN A 28 -5.460 -8.932 -9.101 1.00 0.00 N ATOM 0 H GLN A 28 -5.668 -5.140 -10.475 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.510 -5.191 -12.710 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.011 -7.441 -11.880 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.279 -7.204 -11.999 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.298 -6.640 -9.508 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.967 -7.174 -9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.979 -8.136 -8.683 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.103 -9.877 -8.957 1.00 0.00 H new ATOM 392 N TYR A 29 -8.483 -4.164 -9.869 1.00 0.00 N ATOM 393 CA TYR A 29 -9.613 -3.675 -9.088 1.00 0.00 C ATOM 394 C TYR A 29 -10.022 -2.276 -9.539 1.00 0.00 C ATOM 395 O TYR A 29 -11.194 -2.017 -9.810 1.00 0.00 O ATOM 396 CB TYR A 29 -9.262 -3.661 -7.599 1.00 0.00 C ATOM 397 CG TYR A 29 -9.053 -5.039 -7.014 1.00 0.00 C ATOM 398 CD1 TYR A 29 -7.897 -5.762 -7.284 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.010 -5.619 -6.191 1.00 0.00 C ATOM 400 CE1 TYR A 29 -7.702 -7.022 -6.752 1.00 0.00 C ATOM 401 CE2 TYR A 29 -9.822 -6.877 -5.653 1.00 0.00 C ATOM 402 CZ TYR A 29 -8.667 -7.575 -5.936 1.00 0.00 C ATOM 403 OH TYR A 29 -8.476 -8.829 -5.403 1.00 0.00 O ATOM 0 H TYR A 29 -7.572 -3.846 -9.538 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.454 -4.349 -9.250 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.356 -3.072 -7.453 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.060 -3.160 -7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.138 -5.331 -7.921 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.917 -5.077 -5.968 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.799 -7.571 -6.974 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.576 -7.312 -5.014 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.533 -8.942 -5.162 1.00 0.00 H new ATOM 413 N GLY A 30 -9.045 -1.376 -9.616 1.00 0.00 N ATOM 414 CA GLY A 30 -9.322 -0.015 -10.034 1.00 0.00 C ATOM 415 C GLY A 30 -8.138 0.631 -10.726 1.00 0.00 C ATOM 416 O GLY A 30 -7.469 0.000 -11.544 1.00 0.00 O ATOM 0 H GLY A 30 -8.067 -1.566 -9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.179 -0.012 -10.708 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.599 0.580 -9.164 1.00 0.00 H new ATOM 420 N ASP A 31 -7.881 1.893 -10.400 1.00 0.00 N ATOM 421 CA ASP A 31 -6.770 2.625 -10.996 1.00 0.00 C ATOM 422 C ASP A 31 -5.771 3.063 -9.928 1.00 0.00 C ATOM 423 O ASP A 31 -5.699 4.239 -9.576 1.00 0.00 O ATOM 424 CB ASP A 31 -7.287 3.846 -11.759 1.00 0.00 C ATOM 425 CG ASP A 31 -6.350 4.273 -12.871 1.00 0.00 C ATOM 426 OD1 ASP A 31 -5.242 4.759 -12.559 1.00 0.00 O ATOM 427 OD2 ASP A 31 -6.724 4.123 -14.053 1.00 0.00 O ATOM 0 H ASP A 31 -8.427 2.430 -9.726 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.261 1.959 -11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.267 3.620 -12.180 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.423 4.675 -11.064 1.00 0.00 H new ATOM 432 N VAL A 32 -5.004 2.106 -9.416 1.00 0.00 N ATOM 433 CA VAL A 32 -4.010 2.391 -8.388 1.00 0.00 C ATOM 434 C VAL A 32 -2.940 3.345 -8.909 1.00 0.00 C ATOM 435 O VAL A 32 -1.983 2.925 -9.559 1.00 0.00 O ATOM 436 CB VAL A 32 -3.333 1.102 -7.888 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.732 0.327 -9.052 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.272 1.427 -6.848 1.00 0.00 C ATOM 0 H VAL A 32 -5.052 1.126 -9.696 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.539 2.859 -7.558 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.090 0.474 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.258 -0.581 -8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.519 0.061 -9.757 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.988 0.945 -9.555 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.804 0.504 -6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.516 2.075 -7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.735 1.935 -6.002 1.00 0.00 H new ATOM 448 N MET A 33 -3.109 4.631 -8.619 1.00 0.00 N ATOM 449 CA MET A 33 -2.156 5.645 -9.057 1.00 0.00 C ATOM 450 C MET A 33 -0.724 5.140 -8.915 1.00 0.00 C ATOM 451 O MET A 33 0.033 5.114 -9.886 1.00 0.00 O ATOM 452 CB MET A 33 -2.340 6.930 -8.249 1.00 0.00 C ATOM 453 CG MET A 33 -3.410 7.853 -8.810 1.00 0.00 C ATOM 454 SD MET A 33 -2.759 9.008 -10.032 1.00 0.00 S ATOM 455 CE MET A 33 -4.076 10.221 -10.085 1.00 0.00 C ATOM 0 H MET A 33 -3.896 4.996 -8.083 1.00 0.00 H new ATOM 0 HA MET A 33 -2.345 5.857 -10.109 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.598 6.670 -7.222 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.392 7.466 -8.213 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.199 7.254 -9.266 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.866 8.413 -7.993 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.821 11.004 -10.799 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.003 9.738 -10.392 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.206 10.660 -9.096 1.00 0.00 H new ATOM 465 N ASP A 34 -0.358 4.743 -7.701 1.00 0.00 N ATOM 466 CA ASP A 34 0.984 4.239 -7.433 1.00 0.00 C ATOM 467 C ASP A 34 1.022 3.471 -6.116 1.00 0.00 C ATOM 468 O ASP A 34 0.014 3.359 -5.421 1.00 0.00 O ATOM 469 CB ASP A 34 1.986 5.394 -7.395 1.00 0.00 C ATOM 470 CG ASP A 34 3.006 5.313 -8.514 1.00 0.00 C ATOM 471 OD1 ASP A 34 3.323 4.184 -8.948 1.00 0.00 O ATOM 472 OD2 ASP A 34 3.487 6.377 -8.957 1.00 0.00 O ATOM 0 H ASP A 34 -0.972 4.760 -6.887 1.00 0.00 H new ATOM 0 HA ASP A 34 1.258 3.557 -8.238 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.449 6.340 -7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.503 5.391 -6.435 1.00 0.00 H new ATOM 477 N VAL A 35 2.195 2.943 -5.780 1.00 0.00 N ATOM 478 CA VAL A 35 2.366 2.184 -4.546 1.00 0.00 C ATOM 479 C VAL A 35 3.708 2.496 -3.891 1.00 0.00 C ATOM 480 O VAL A 35 4.765 2.298 -4.490 1.00 0.00 O ATOM 481 CB VAL A 35 2.271 0.669 -4.801 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.629 -0.108 -3.543 1.00 0.00 C ATOM 483 CG2 VAL A 35 0.880 0.297 -5.290 1.00 0.00 C ATOM 0 H VAL A 35 3.040 3.027 -6.344 1.00 0.00 H new ATOM 0 HA VAL A 35 1.560 2.483 -3.876 1.00 0.00 H new ATOM 0 HB VAL A 35 2.987 0.404 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.556 -1.177 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.648 0.136 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.940 0.159 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.831 -0.778 -5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.143 0.576 -4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.667 0.826 -6.219 1.00 0.00 H new ATOM 493 N PHE A 36 3.657 2.984 -2.656 1.00 0.00 N ATOM 494 CA PHE A 36 4.869 3.324 -1.919 1.00 0.00 C ATOM 495 C PHE A 36 5.018 2.442 -0.682 1.00 0.00 C ATOM 496 O PHE A 36 4.048 1.848 -0.210 1.00 0.00 O ATOM 497 CB PHE A 36 4.844 4.798 -1.509 1.00 0.00 C ATOM 498 CG PHE A 36 5.893 5.154 -0.494 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.239 5.081 -0.814 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.533 5.563 0.781 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.208 5.409 0.117 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.496 5.893 1.715 1.00 0.00 C ATOM 503 CZ PHE A 36 7.834 5.815 1.384 1.00 0.00 C ATOM 0 H PHE A 36 2.791 3.153 -2.145 1.00 0.00 H new ATOM 0 HA PHE A 36 5.724 3.150 -2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.983 5.416 -2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.861 5.038 -1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.535 4.764 -1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.488 5.624 1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.254 5.348 -0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.202 6.212 2.704 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.587 6.071 2.114 1.00 0.00 H new ATOM 513 N ILE A 37 6.239 2.362 -0.164 1.00 0.00 N ATOM 514 CA ILE A 37 6.516 1.554 1.016 1.00 0.00 C ATOM 515 C ILE A 37 7.241 2.369 2.083 1.00 0.00 C ATOM 516 O ILE A 37 8.462 2.523 2.058 1.00 0.00 O ATOM 517 CB ILE A 37 7.363 0.316 0.667 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.611 -0.582 -0.317 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.722 -0.454 1.928 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.423 -1.766 -0.796 1.00 0.00 C ATOM 0 H ILE A 37 7.052 2.847 -0.543 1.00 0.00 H new ATOM 0 HA ILE A 37 5.552 1.225 1.405 1.00 0.00 H new ATOM 0 HB ILE A 37 8.287 0.648 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.700 -0.945 0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.306 0.012 -1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.321 -1.326 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.294 0.189 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.810 -0.778 2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.827 -2.359 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.322 -1.411 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.706 -2.383 0.057 1.00 0.00 H new ATOM 532 N PRO A 38 6.473 2.902 3.044 1.00 0.00 N ATOM 533 CA PRO A 38 7.021 3.708 4.139 1.00 0.00 C ATOM 534 C PRO A 38 7.838 2.875 5.119 1.00 0.00 C ATOM 535 O PRO A 38 7.314 1.970 5.769 1.00 0.00 O ATOM 536 CB PRO A 38 5.773 4.269 4.826 1.00 0.00 C ATOM 537 CG PRO A 38 4.694 3.293 4.506 1.00 0.00 C ATOM 538 CD PRO A 38 5.010 2.761 3.136 1.00 0.00 C ATOM 0 HA PRO A 38 7.706 4.474 3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.920 4.358 5.902 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.530 5.264 4.454 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.666 2.488 5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.716 3.774 4.522 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.699 1.722 3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.502 3.329 2.357 1.00 0.00 H new ATOM 546 N LYS A 39 9.126 3.185 5.222 1.00 0.00 N ATOM 547 CA LYS A 39 10.018 2.466 6.125 1.00 0.00 C ATOM 548 C LYS A 39 9.997 3.087 7.518 1.00 0.00 C ATOM 549 O LYS A 39 9.730 4.276 7.690 1.00 0.00 O ATOM 550 CB LYS A 39 11.446 2.468 5.574 1.00 0.00 C ATOM 551 CG LYS A 39 11.599 1.692 4.277 1.00 0.00 C ATOM 552 CD LYS A 39 12.496 0.480 4.457 1.00 0.00 C ATOM 553 CE LYS A 39 12.527 -0.382 3.203 1.00 0.00 C ATOM 554 NZ LYS A 39 12.671 -1.828 3.527 1.00 0.00 N ATOM 0 H LYS A 39 9.576 3.930 4.691 1.00 0.00 H new ATOM 0 HA LYS A 39 9.667 1.437 6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.762 3.498 5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.116 2.044 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.618 1.371 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.015 2.344 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.507 0.807 4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.142 -0.114 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.611 -0.227 2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.355 -0.068 2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.688 -2.381 2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.558 -1.980 4.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.868 -2.134 4.113 1.00 0.00 H new ATOM 568 N PRO A 40 10.287 2.264 8.538 1.00 0.00 N ATOM 569 CA PRO A 40 10.607 0.847 8.345 1.00 0.00 C ATOM 570 C PRO A 40 9.393 0.033 7.907 1.00 0.00 C ATOM 571 O PRO A 40 8.301 0.185 8.454 1.00 0.00 O ATOM 572 CB PRO A 40 11.078 0.397 9.730 1.00 0.00 C ATOM 573 CG PRO A 40 10.420 1.339 10.678 1.00 0.00 C ATOM 574 CD PRO A 40 10.326 2.655 9.956 1.00 0.00 C ATOM 0 HA PRO A 40 11.348 0.701 7.559 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.788 -0.634 9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.164 0.445 9.814 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.431 0.979 10.963 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.000 1.438 11.596 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.433 3.209 10.245 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.182 3.294 10.173 1.00 0.00 H new ATOM 582 N PHE A 41 9.591 -0.829 6.915 1.00 0.00 N ATOM 583 CA PHE A 41 8.512 -1.665 6.403 1.00 0.00 C ATOM 584 C PHE A 41 8.126 -2.737 7.418 1.00 0.00 C ATOM 585 O PHE A 41 8.895 -3.662 7.683 1.00 0.00 O ATOM 586 CB PHE A 41 8.929 -2.322 5.085 1.00 0.00 C ATOM 587 CG PHE A 41 8.149 -3.565 4.761 1.00 0.00 C ATOM 588 CD1 PHE A 41 6.880 -3.477 4.212 1.00 0.00 C ATOM 589 CD2 PHE A 41 8.685 -4.818 5.005 1.00 0.00 C ATOM 590 CE1 PHE A 41 6.160 -4.620 3.913 1.00 0.00 C ATOM 591 CE2 PHE A 41 7.970 -5.963 4.708 1.00 0.00 C ATOM 592 CZ PHE A 41 6.707 -5.863 4.161 1.00 0.00 C ATOM 0 H PHE A 41 10.488 -0.967 6.450 1.00 0.00 H new ATOM 0 HA PHE A 41 7.645 -1.028 6.226 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.805 -1.603 4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.989 -2.570 5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.449 -2.507 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.673 -4.902 5.432 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.171 -4.540 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.399 -6.935 4.904 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.147 -6.756 3.927 1.00 0.00 H new ATOM 602 N ARG A 42 6.930 -2.604 7.982 1.00 0.00 N ATOM 603 CA ARG A 42 6.442 -3.559 8.971 1.00 0.00 C ATOM 604 C ARG A 42 5.273 -4.368 8.414 1.00 0.00 C ATOM 605 O ARG A 42 4.111 -4.037 8.646 1.00 0.00 O ATOM 606 CB ARG A 42 6.011 -2.832 10.246 1.00 0.00 C ATOM 607 CG ARG A 42 7.096 -2.773 11.309 1.00 0.00 C ATOM 608 CD ARG A 42 6.730 -1.807 12.424 1.00 0.00 C ATOM 609 NE ARG A 42 7.391 -2.147 13.682 1.00 0.00 N ATOM 610 CZ ARG A 42 6.957 -3.091 14.509 1.00 0.00 C ATOM 611 NH1 ARG A 42 5.867 -3.785 14.214 1.00 0.00 N ATOM 612 NH2 ARG A 42 7.613 -3.343 15.635 1.00 0.00 N ATOM 0 H ARG A 42 6.281 -1.845 7.772 1.00 0.00 H new ATOM 0 HA ARG A 42 7.256 -4.244 9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.709 -1.816 9.991 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.135 -3.331 10.660 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.254 -3.768 11.725 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.037 -2.465 10.853 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.007 -0.794 12.131 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.650 -1.813 12.569 1.00 0.00 H new ATOM 0 HE ARG A 42 8.232 -1.631 13.939 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.359 -3.595 13.350 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.536 -4.510 14.851 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.452 -2.811 15.866 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.278 -4.068 16.269 1.00 0.00 H new ATOM 626 N ALA A 43 5.591 -5.428 7.679 1.00 0.00 N ATOM 627 CA ALA A 43 4.568 -6.284 7.090 1.00 0.00 C ATOM 628 C ALA A 43 3.354 -5.470 6.655 1.00 0.00 C ATOM 629 O ALA A 43 2.215 -5.919 6.780 1.00 0.00 O ATOM 630 CB ALA A 43 4.154 -7.366 8.076 1.00 0.00 C ATOM 0 H ALA A 43 6.549 -5.715 7.477 1.00 0.00 H new ATOM 0 HA ALA A 43 4.992 -6.757 6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.390 -7.998 7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.021 -7.974 8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.754 -6.903 8.978 1.00 0.00 H new ATOM 636 N PHE A 44 3.605 -4.268 6.145 1.00 0.00 N ATOM 637 CA PHE A 44 2.533 -3.391 5.693 1.00 0.00 C ATOM 638 C PHE A 44 3.058 -2.355 4.703 1.00 0.00 C ATOM 639 O PHE A 44 4.163 -1.836 4.859 1.00 0.00 O ATOM 640 CB PHE A 44 1.884 -2.686 6.887 1.00 0.00 C ATOM 641 CG PHE A 44 2.493 -1.349 7.199 1.00 0.00 C ATOM 642 CD1 PHE A 44 3.858 -1.227 7.405 1.00 0.00 C ATOM 643 CD2 PHE A 44 1.703 -0.215 7.284 1.00 0.00 C ATOM 644 CE1 PHE A 44 4.421 0.003 7.693 1.00 0.00 C ATOM 645 CE2 PHE A 44 2.260 1.017 7.570 1.00 0.00 C ATOM 646 CZ PHE A 44 3.621 1.126 7.774 1.00 0.00 C ATOM 0 H PHE A 44 4.542 -3.880 6.035 1.00 0.00 H new ATOM 0 HA PHE A 44 1.785 -4.004 5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.821 -2.554 6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.965 -3.327 7.765 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.489 -2.101 7.340 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.638 -0.294 7.125 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.486 0.085 7.854 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.632 1.893 7.634 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.059 2.088 7.997 1.00 0.00 H new ATOM 656 N ALA A 45 2.257 -2.061 3.683 1.00 0.00 N ATOM 657 CA ALA A 45 2.640 -1.088 2.668 1.00 0.00 C ATOM 658 C ALA A 45 1.521 -0.082 2.422 1.00 0.00 C ATOM 659 O ALA A 45 0.363 -0.330 2.764 1.00 0.00 O ATOM 660 CB ALA A 45 3.010 -1.796 1.372 1.00 0.00 C ATOM 0 H ALA A 45 1.340 -2.483 3.538 1.00 0.00 H new ATOM 0 HA ALA A 45 3.510 -0.542 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.294 -1.058 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.847 -2.471 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.154 -2.367 1.012 1.00 0.00 H new ATOM 666 N PHE A 46 1.872 1.054 1.829 1.00 0.00 N ATOM 667 CA PHE A 46 0.896 2.098 1.540 1.00 0.00 C ATOM 668 C PHE A 46 0.569 2.139 0.050 1.00 0.00 C ATOM 669 O PHE A 46 1.449 2.348 -0.785 1.00 0.00 O ATOM 670 CB PHE A 46 1.426 3.460 1.995 1.00 0.00 C ATOM 671 CG PHE A 46 0.433 4.575 1.830 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.630 4.709 2.709 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.564 5.489 0.796 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.545 5.734 2.558 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.349 6.516 0.642 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.403 6.639 1.524 1.00 0.00 C ATOM 0 H PHE A 46 2.825 1.275 1.539 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.018 1.869 2.088 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.717 3.396 3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.326 3.699 1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.745 4.005 3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.388 5.398 0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.371 5.827 3.248 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.237 7.221 -0.168 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.116 7.442 1.406 1.00 0.00 H new ATOM 686 N VAL A 47 -0.704 1.938 -0.275 1.00 0.00 N ATOM 687 CA VAL A 47 -1.149 1.952 -1.663 1.00 0.00 C ATOM 688 C VAL A 47 -2.065 3.141 -1.935 1.00 0.00 C ATOM 689 O VAL A 47 -2.968 3.434 -1.152 1.00 0.00 O ATOM 690 CB VAL A 47 -1.891 0.653 -2.028 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.403 0.713 -3.459 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.984 -0.552 -1.828 1.00 0.00 C ATOM 0 H VAL A 47 -1.445 1.764 0.404 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.255 2.037 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.750 0.548 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.924 -0.214 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.089 1.553 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.563 0.843 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.524 -1.462 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.105 -0.455 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.672 -0.604 -0.785 1.00 0.00 H new ATOM 702 N THR A 48 -1.826 3.822 -3.051 1.00 0.00 N ATOM 703 CA THR A 48 -2.628 4.978 -3.428 1.00 0.00 C ATOM 704 C THR A 48 -3.563 4.648 -4.586 1.00 0.00 C ATOM 705 O THR A 48 -3.174 3.968 -5.535 1.00 0.00 O ATOM 706 CB THR A 48 -1.740 6.173 -3.825 1.00 0.00 C ATOM 707 OG1 THR A 48 -0.823 6.475 -2.768 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.587 7.398 -4.134 1.00 0.00 C ATOM 0 H THR A 48 -1.082 3.592 -3.710 1.00 0.00 H new ATOM 0 HA THR A 48 -3.220 5.248 -2.554 1.00 0.00 H new ATOM 0 HB THR A 48 -1.183 5.901 -4.722 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.256 6.314 -1.904 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.938 8.229 -4.412 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.263 7.174 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.168 7.670 -3.253 1.00 0.00 H new ATOM 716 N PHE A 49 -4.797 5.132 -4.501 1.00 0.00 N ATOM 717 CA PHE A 49 -5.788 4.888 -5.542 1.00 0.00 C ATOM 718 C PHE A 49 -6.302 6.201 -6.125 1.00 0.00 C ATOM 719 O PHE A 49 -6.702 7.103 -5.389 1.00 0.00 O ATOM 720 CB PHE A 49 -6.956 4.073 -4.982 1.00 0.00 C ATOM 721 CG PHE A 49 -6.659 2.606 -4.858 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.518 1.816 -5.987 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.520 2.017 -3.612 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.244 0.465 -5.877 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.246 0.668 -3.494 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.109 -0.110 -4.628 1.00 0.00 C ATOM 0 H PHE A 49 -5.135 5.696 -3.721 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.308 4.322 -6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.225 4.465 -4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.824 4.206 -5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.623 2.261 -6.966 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.627 2.620 -2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.136 -0.139 -6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.139 0.222 -2.516 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.897 -1.165 -4.538 1.00 0.00 H new ATOM 736 N ALA A 50 -6.286 6.300 -7.449 1.00 0.00 N ATOM 737 CA ALA A 50 -6.751 7.502 -8.131 1.00 0.00 C ATOM 738 C ALA A 50 -8.069 7.991 -7.542 1.00 0.00 C ATOM 739 O ALA A 50 -8.339 9.193 -7.511 1.00 0.00 O ATOM 740 CB ALA A 50 -6.903 7.238 -9.621 1.00 0.00 C ATOM 0 H ALA A 50 -5.956 5.563 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.005 8.284 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.251 8.144 -10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.940 6.942 -10.038 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.627 6.438 -9.777 1.00 0.00 H new ATOM 746 N ASP A 51 -8.887 7.055 -7.075 1.00 0.00 N ATOM 747 CA ASP A 51 -10.179 7.392 -6.487 1.00 0.00 C ATOM 748 C ASP A 51 -10.211 7.031 -5.004 1.00 0.00 C ATOM 749 O ASP A 51 -9.716 5.978 -4.600 1.00 0.00 O ATOM 750 CB ASP A 51 -11.305 6.667 -7.225 1.00 0.00 C ATOM 751 CG ASP A 51 -12.109 7.598 -8.111 1.00 0.00 C ATOM 752 OD1 ASP A 51 -11.508 8.234 -9.002 1.00 0.00 O ATOM 753 OD2 ASP A 51 -13.339 7.690 -7.915 1.00 0.00 O ATOM 0 H ASP A 51 -8.679 6.057 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.325 8.468 -6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.881 5.867 -7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.969 6.198 -6.499 1.00 0.00 H new ATOM 758 N ASP A 52 -10.794 7.912 -4.199 1.00 0.00 N ATOM 759 CA ASP A 52 -10.890 7.687 -2.762 1.00 0.00 C ATOM 760 C ASP A 52 -11.979 6.666 -2.443 1.00 0.00 C ATOM 761 O ASP A 52 -12.024 6.117 -1.342 1.00 0.00 O ATOM 762 CB ASP A 52 -11.179 9.002 -2.035 1.00 0.00 C ATOM 763 CG ASP A 52 -10.903 8.915 -0.547 1.00 0.00 C ATOM 764 OD1 ASP A 52 -9.794 8.478 -0.174 1.00 0.00 O ATOM 765 OD2 ASP A 52 -11.796 9.282 0.244 1.00 0.00 O ATOM 0 H ASP A 52 -11.207 8.789 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.934 7.293 -2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.569 9.795 -2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.221 9.279 -2.192 1.00 0.00 H new ATOM 770 N GLN A 53 -12.853 6.419 -3.413 1.00 0.00 N ATOM 771 CA GLN A 53 -13.942 5.466 -3.234 1.00 0.00 C ATOM 772 C GLN A 53 -13.448 4.034 -3.413 1.00 0.00 C ATOM 773 O GLN A 53 -13.972 3.105 -2.800 1.00 0.00 O ATOM 774 CB GLN A 53 -15.070 5.757 -4.226 1.00 0.00 C ATOM 775 CG GLN A 53 -15.715 7.119 -4.031 1.00 0.00 C ATOM 776 CD GLN A 53 -17.162 7.022 -3.589 1.00 0.00 C ATOM 777 OE1 GLN A 53 -18.073 6.947 -4.413 1.00 0.00 O ATOM 778 NE2 GLN A 53 -17.381 7.022 -2.279 1.00 0.00 N ATOM 0 H GLN A 53 -12.829 6.865 -4.330 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.323 5.575 -2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.676 5.693 -5.240 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.834 4.985 -4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.149 7.682 -3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.661 7.679 -4.964 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -16.596 7.086 -1.631 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -18.334 6.958 -1.921 1.00 0.00 H new ATOM 787 N ILE A 54 -12.435 3.865 -4.258 1.00 0.00 N ATOM 788 CA ILE A 54 -11.870 2.546 -4.516 1.00 0.00 C ATOM 789 C ILE A 54 -11.051 2.057 -3.327 1.00 0.00 C ATOM 790 O ILE A 54 -11.012 0.861 -3.037 1.00 0.00 O ATOM 791 CB ILE A 54 -10.978 2.553 -5.773 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.757 3.091 -6.974 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.454 1.153 -6.056 1.00 0.00 C ATOM 794 CD1 ILE A 54 -10.915 3.237 -8.223 1.00 0.00 C ATOM 0 H ILE A 54 -11.990 4.624 -4.774 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.708 1.869 -4.679 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.126 3.209 -5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.592 2.423 -7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.182 4.061 -6.716 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.826 1.173 -6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.868 0.805 -5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.293 0.477 -6.219 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.532 3.623 -9.035 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.095 3.928 -8.030 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.511 2.265 -8.505 1.00 0.00 H new ATOM 806 N ALA A 55 -10.398 2.990 -2.641 1.00 0.00 N ATOM 807 CA ALA A 55 -9.582 2.653 -1.481 1.00 0.00 C ATOM 808 C ALA A 55 -10.454 2.303 -0.279 1.00 0.00 C ATOM 809 O ALA A 55 -10.152 1.375 0.469 1.00 0.00 O ATOM 810 CB ALA A 55 -8.648 3.805 -1.140 1.00 0.00 C ATOM 0 H ALA A 55 -10.418 3.984 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.984 1.776 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.045 3.540 -0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.994 4.007 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.235 4.695 -0.915 1.00 0.00 H new ATOM 816 N GLN A 56 -11.537 3.054 -0.101 1.00 0.00 N ATOM 817 CA GLN A 56 -12.452 2.823 1.010 1.00 0.00 C ATOM 818 C GLN A 56 -13.340 1.614 0.743 1.00 0.00 C ATOM 819 O GLN A 56 -13.537 0.768 1.617 1.00 0.00 O ATOM 820 CB GLN A 56 -13.316 4.062 1.254 1.00 0.00 C ATOM 821 CG GLN A 56 -13.046 4.739 2.588 1.00 0.00 C ATOM 822 CD GLN A 56 -13.223 6.243 2.525 1.00 0.00 C ATOM 823 OE1 GLN A 56 -12.247 6.993 2.487 1.00 0.00 O ATOM 824 NE2 GLN A 56 -14.472 6.693 2.512 1.00 0.00 N ATOM 0 H GLN A 56 -11.801 3.827 -0.712 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.857 2.623 1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.144 4.779 0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.367 3.777 1.207 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.718 4.329 3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.030 4.510 2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.251 6.036 2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -14.652 7.696 2.469 1.00 0.00 H new ATOM 833 N SER A 57 -13.876 1.536 -0.471 1.00 0.00 N ATOM 834 CA SER A 57 -14.749 0.433 -0.854 1.00 0.00 C ATOM 835 C SER A 57 -14.054 -0.908 -0.633 1.00 0.00 C ATOM 836 O SER A 57 -14.708 -1.941 -0.479 1.00 0.00 O ATOM 837 CB SER A 57 -15.166 0.568 -2.319 1.00 0.00 C ATOM 838 OG SER A 57 -15.974 -0.524 -2.723 1.00 0.00 O ATOM 0 H SER A 57 -13.720 2.225 -1.207 1.00 0.00 H new ATOM 0 HA SER A 57 -15.639 0.471 -0.227 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.713 1.500 -2.460 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.278 0.620 -2.949 1.00 0.00 H new ATOM 0 HG SER A 57 -16.228 -0.413 -3.663 1.00 0.00 H new ATOM 844 N LEU A 58 -12.726 -0.885 -0.620 1.00 0.00 N ATOM 845 CA LEU A 58 -11.942 -2.099 -0.419 1.00 0.00 C ATOM 846 C LEU A 58 -11.814 -2.425 1.066 1.00 0.00 C ATOM 847 O LEU A 58 -11.870 -3.589 1.463 1.00 0.00 O ATOM 848 CB LEU A 58 -10.553 -1.940 -1.038 1.00 0.00 C ATOM 849 CG LEU A 58 -10.366 -2.542 -2.432 1.00 0.00 C ATOM 850 CD1 LEU A 58 -8.984 -2.212 -2.975 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.583 -4.047 -2.396 1.00 0.00 C ATOM 0 H LEU A 58 -12.169 -0.040 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.461 -2.922 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.320 -0.877 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.824 -2.394 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.109 -2.105 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.869 -2.648 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.867 -1.130 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.224 -2.621 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.446 -4.458 -3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.864 -4.502 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.595 -4.261 -2.051 1.00 0.00 H new ATOM 863 N CYS A 59 -11.647 -1.390 1.881 1.00 0.00 N ATOM 864 CA CYS A 59 -11.513 -1.565 3.323 1.00 0.00 C ATOM 865 C CYS A 59 -12.502 -2.607 3.838 1.00 0.00 C ATOM 866 O CYS A 59 -13.701 -2.522 3.574 1.00 0.00 O ATOM 867 CB CYS A 59 -11.734 -0.234 4.043 1.00 0.00 C ATOM 868 SG CYS A 59 -11.464 -0.307 5.829 1.00 0.00 S ATOM 0 H CYS A 59 -11.601 -0.420 1.568 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.502 -1.917 3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.065 0.513 3.616 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.753 0.104 3.854 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.673 0.867 6.348 1.00 0.00 H new ATOM 874 N GLY A 60 -11.991 -3.589 4.572 1.00 0.00 N ATOM 875 CA GLY A 60 -12.842 -4.634 5.111 1.00 0.00 C ATOM 876 C GLY A 60 -12.861 -5.873 4.238 1.00 0.00 C ATOM 877 O GLY A 60 -13.393 -6.910 4.634 1.00 0.00 O ATOM 0 H GLY A 60 -11.002 -3.680 4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.496 -4.902 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.858 -4.253 5.218 1.00 0.00 H new ATOM 881 N GLU A 61 -12.280 -5.766 3.048 1.00 0.00 N ATOM 882 CA GLU A 61 -12.236 -6.888 2.117 1.00 0.00 C ATOM 883 C GLU A 61 -10.920 -7.650 2.246 1.00 0.00 C ATOM 884 O GLU A 61 -9.847 -7.050 2.322 1.00 0.00 O ATOM 885 CB GLU A 61 -12.412 -6.393 0.679 1.00 0.00 C ATOM 886 CG GLU A 61 -13.774 -5.774 0.412 1.00 0.00 C ATOM 887 CD GLU A 61 -14.818 -6.804 0.032 1.00 0.00 C ATOM 888 OE1 GLU A 61 -15.366 -7.460 0.944 1.00 0.00 O ATOM 889 OE2 GLU A 61 -15.090 -6.955 -1.177 1.00 0.00 O ATOM 0 H GLU A 61 -11.834 -4.915 2.706 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.054 -7.565 2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.638 -5.657 0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.261 -7.228 -0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.105 -5.237 1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.685 -5.040 -0.389 1.00 0.00 H new ATOM 896 N ASP A 62 -11.011 -8.975 2.270 1.00 0.00 N ATOM 897 CA ASP A 62 -9.828 -9.820 2.390 1.00 0.00 C ATOM 898 C ASP A 62 -9.358 -10.295 1.019 1.00 0.00 C ATOM 899 O ASP A 62 -10.079 -11.003 0.314 1.00 0.00 O ATOM 900 CB ASP A 62 -10.123 -11.024 3.286 1.00 0.00 C ATOM 901 CG ASP A 62 -10.884 -12.115 2.558 1.00 0.00 C ATOM 902 OD1 ASP A 62 -11.808 -11.781 1.787 1.00 0.00 O ATOM 903 OD2 ASP A 62 -10.556 -13.303 2.760 1.00 0.00 O ATOM 0 H ASP A 62 -11.891 -9.487 2.208 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.033 -9.227 2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.185 -11.430 3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.701 -10.697 4.151 1.00 0.00 H new ATOM 908 N LEU A 63 -8.146 -9.900 0.644 1.00 0.00 N ATOM 909 CA LEU A 63 -7.580 -10.284 -0.644 1.00 0.00 C ATOM 910 C LEU A 63 -6.390 -11.219 -0.459 1.00 0.00 C ATOM 911 O LEU A 63 -5.638 -11.098 0.508 1.00 0.00 O ATOM 912 CB LEU A 63 -7.150 -9.041 -1.425 1.00 0.00 C ATOM 913 CG LEU A 63 -8.016 -7.795 -1.236 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.364 -6.587 -1.888 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.410 -8.024 -1.804 1.00 0.00 C ATOM 0 H LEU A 63 -7.536 -9.314 1.214 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.349 -10.812 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.127 -8.794 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.135 -9.291 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.108 -7.598 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.995 -5.710 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.389 -6.411 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.240 -6.772 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.013 -7.127 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.337 -8.246 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.879 -8.863 -1.290 1.00 0.00 H new ATOM 927 N ILE A 64 -6.224 -12.151 -1.393 1.00 0.00 N ATOM 928 CA ILE A 64 -5.123 -13.103 -1.333 1.00 0.00 C ATOM 929 C ILE A 64 -4.044 -12.761 -2.356 1.00 0.00 C ATOM 930 O ILE A 64 -4.325 -12.629 -3.548 1.00 0.00 O ATOM 931 CB ILE A 64 -5.611 -14.543 -1.579 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.771 -14.879 -0.640 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.467 -15.529 -1.393 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.339 -15.127 0.788 1.00 0.00 C ATOM 0 H ILE A 64 -6.838 -12.266 -2.199 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.702 -13.037 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.967 -14.620 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.490 -14.060 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.286 -15.764 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.828 -16.542 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.670 -15.299 -2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.083 -15.453 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.212 -15.359 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.643 -15.965 0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.850 -14.235 1.180 1.00 0.00 H new ATOM 946 N ILE A 65 -2.811 -12.623 -1.882 1.00 0.00 N ATOM 947 CA ILE A 65 -1.689 -12.300 -2.757 1.00 0.00 C ATOM 948 C ILE A 65 -0.551 -13.298 -2.581 1.00 0.00 C ATOM 949 O ILE A 65 0.092 -13.345 -1.531 1.00 0.00 O ATOM 950 CB ILE A 65 -1.158 -10.879 -2.489 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.320 -9.914 -2.245 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.305 -10.404 -3.656 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.877 -8.525 -1.841 1.00 0.00 C ATOM 0 H ILE A 65 -2.563 -12.729 -0.898 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.060 -12.353 -3.780 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.536 -10.902 -1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.921 -9.846 -3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.963 -10.322 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.063 -9.398 -3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.540 -11.080 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.906 -10.393 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.753 -7.895 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.301 -8.581 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.258 -8.097 -2.629 1.00 0.00 H new ATOM 965 N LYS A 66 -0.303 -14.094 -3.615 1.00 0.00 N ATOM 966 CA LYS A 66 0.761 -15.090 -3.578 1.00 0.00 C ATOM 967 C LYS A 66 0.443 -16.188 -2.569 1.00 0.00 C ATOM 968 O LYS A 66 1.300 -17.003 -2.232 1.00 0.00 O ATOM 969 CB LYS A 66 2.095 -14.428 -3.224 1.00 0.00 C ATOM 970 CG LYS A 66 2.438 -13.241 -4.107 1.00 0.00 C ATOM 971 CD LYS A 66 3.871 -13.313 -4.606 1.00 0.00 C ATOM 972 CE LYS A 66 4.047 -14.416 -5.638 1.00 0.00 C ATOM 973 NZ LYS A 66 5.327 -14.276 -6.387 1.00 0.00 N ATOM 0 H LYS A 66 -0.825 -14.069 -4.491 1.00 0.00 H new ATOM 0 HA LYS A 66 0.837 -15.541 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.064 -14.100 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.891 -15.169 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.757 -13.210 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.292 -12.317 -3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.154 -12.355 -5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.542 -13.490 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.021 -15.386 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.212 -14.395 -6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.409 -15.047 -7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.341 -13.362 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.125 -14.322 -5.722 1.00 0.00 H new ATOM 987 N GLY A 67 -0.798 -16.205 -2.090 1.00 0.00 N ATOM 988 CA GLY A 67 -1.208 -17.209 -1.125 1.00 0.00 C ATOM 989 C GLY A 67 -1.575 -16.608 0.217 1.00 0.00 C ATOM 990 O GLY A 67 -2.478 -17.097 0.896 1.00 0.00 O ATOM 0 H GLY A 67 -1.526 -15.541 -2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.062 -17.759 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.401 -17.929 -0.989 1.00 0.00 H new ATOM 994 N ILE A 68 -0.874 -15.546 0.599 1.00 0.00 N ATOM 995 CA ILE A 68 -1.132 -14.878 1.869 1.00 0.00 C ATOM 996 C ILE A 68 -2.376 -14.001 1.786 1.00 0.00 C ATOM 997 O ILE A 68 -2.823 -13.639 0.697 1.00 0.00 O ATOM 998 CB ILE A 68 0.065 -14.010 2.303 1.00 0.00 C ATOM 999 CG1 ILE A 68 0.148 -12.750 1.441 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.357 -14.808 2.211 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.309 -11.497 2.156 1.00 0.00 C ATOM 0 H ILE A 68 -0.123 -15.130 0.048 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.290 -15.661 2.610 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.080 -13.708 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.177 -12.614 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.460 -12.891 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.194 -14.182 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.294 -15.679 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.510 -15.136 1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.223 -10.643 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.348 -11.613 2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.314 -11.332 3.035 1.00 0.00 H new ATOM 1013 N SER A 69 -2.933 -13.659 2.945 1.00 0.00 N ATOM 1014 CA SER A 69 -4.128 -12.826 3.003 1.00 0.00 C ATOM 1015 C SER A 69 -3.823 -11.487 3.667 1.00 0.00 C ATOM 1016 O SER A 69 -3.221 -11.435 4.739 1.00 0.00 O ATOM 1017 CB SER A 69 -5.240 -13.546 3.767 1.00 0.00 C ATOM 1018 OG SER A 69 -6.448 -12.805 3.727 1.00 0.00 O ATOM 0 H SER A 69 -2.575 -13.946 3.856 1.00 0.00 H new ATOM 0 HA SER A 69 -4.462 -12.639 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.401 -14.534 3.336 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.936 -13.696 4.803 1.00 0.00 H new ATOM 0 HG SER A 69 -7.144 -13.287 4.221 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.245 -10.404 3.021 1.00 0.00 N ATOM 1025 CA VAL A 70 -4.019 -9.063 3.548 1.00 0.00 C ATOM 1026 C VAL A 70 -5.335 -8.393 3.927 1.00 0.00 C ATOM 1027 O VAL A 70 -6.391 -8.726 3.389 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.279 -8.177 2.531 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.886 -8.726 2.258 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.078 -8.066 1.241 1.00 0.00 C ATOM 0 H VAL A 70 -4.745 -10.429 2.132 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.401 -9.173 4.439 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.174 -7.178 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.378 -8.086 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.316 -8.750 3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.965 -9.736 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.540 -7.436 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.216 -9.058 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.052 -7.624 1.453 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.265 -7.445 4.857 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.451 -6.726 5.307 1.00 0.00 C ATOM 1042 C HIS A 71 -6.364 -5.249 4.935 1.00 0.00 C ATOM 1043 O HIS A 71 -5.531 -4.514 5.465 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.619 -6.875 6.819 1.00 0.00 C ATOM 1045 CG HIS A 71 -7.758 -6.076 7.376 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -9.023 -6.593 7.556 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -7.816 -4.790 7.795 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -9.810 -5.659 8.061 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -9.102 -4.556 8.215 1.00 0.00 N ATOM 0 H HIS A 71 -4.399 -7.157 5.313 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.319 -7.157 4.808 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.773 -7.927 7.057 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.696 -6.569 7.311 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.002 -4.080 7.798 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.855 -5.778 8.306 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -9.453 -3.673 8.586 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.229 -4.823 4.021 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.250 -3.434 3.579 1.00 0.00 C ATOM 1059 C ILE A 72 -7.903 -2.534 4.623 1.00 0.00 C ATOM 1060 O ILE A 72 -8.972 -2.848 5.145 1.00 0.00 O ATOM 1061 CB ILE A 72 -8.001 -3.279 2.243 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.535 -4.343 1.246 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.788 -1.884 1.675 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -6.176 -4.056 0.646 1.00 0.00 C ATOM 0 H ILE A 72 -7.924 -5.419 3.572 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.212 -3.132 3.440 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.067 -3.418 2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.505 -5.310 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.268 -4.423 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.325 -1.790 0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.162 -1.143 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.724 -1.719 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.911 -4.851 -0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.206 -3.104 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.431 -4.006 1.440 1.00 0.00 H new ATOM 1076 N SER A 73 -7.252 -1.414 4.921 1.00 0.00 N ATOM 1077 CA SER A 73 -7.769 -0.470 5.905 1.00 0.00 C ATOM 1078 C SER A 73 -7.435 0.966 5.507 1.00 0.00 C ATOM 1079 O SER A 73 -6.338 1.250 5.028 1.00 0.00 O ATOM 1080 CB SER A 73 -7.192 -0.774 7.288 1.00 0.00 C ATOM 1081 OG SER A 73 -5.784 -0.929 7.231 1.00 0.00 O ATOM 0 H SER A 73 -6.367 -1.138 4.496 1.00 0.00 H new ATOM 0 HA SER A 73 -8.853 -0.577 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.445 0.033 7.976 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.645 -1.683 7.683 1.00 0.00 H new ATOM 0 HG SER A 73 -5.439 -1.121 8.128 1.00 0.00 H new ATOM 1087 N ASN A 74 -8.391 1.867 5.710 1.00 0.00 N ATOM 1088 CA ASN A 74 -8.200 3.272 5.372 1.00 0.00 C ATOM 1089 C ASN A 74 -7.761 4.071 6.596 1.00 0.00 C ATOM 1090 O ASN A 74 -8.553 4.321 7.504 1.00 0.00 O ATOM 1091 CB ASN A 74 -9.492 3.861 4.801 1.00 0.00 C ATOM 1092 CG ASN A 74 -9.620 5.347 5.076 1.00 0.00 C ATOM 1093 OD1 ASN A 74 -10.241 5.757 6.057 1.00 0.00 O ATOM 1094 ND2 ASN A 74 -9.034 6.162 4.207 1.00 0.00 N ATOM 0 H ASN A 74 -9.305 1.649 6.107 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.415 3.335 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.522 3.689 3.725 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.347 3.340 5.231 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.088 7.172 4.339 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.530 5.778 3.408 1.00 0.00 H new ATOM 1101 N ALA A 75 -6.493 4.470 6.612 1.00 0.00 N ATOM 1102 CA ALA A 75 -5.950 5.243 7.721 1.00 0.00 C ATOM 1103 C ALA A 75 -5.088 6.396 7.219 1.00 0.00 C ATOM 1104 O ALA A 75 -4.430 6.284 6.185 1.00 0.00 O ATOM 1105 CB ALA A 75 -5.143 4.342 8.646 1.00 0.00 C ATOM 0 H ALA A 75 -5.823 4.270 5.869 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.785 5.666 8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.743 4.932 9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.787 3.556 9.041 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.321 3.892 8.089 1.00 0.00 H new ATOM 1111 N GLU A 76 -5.098 7.502 7.956 1.00 0.00 N ATOM 1112 CA GLU A 76 -4.319 8.676 7.581 1.00 0.00 C ATOM 1113 C GLU A 76 -3.664 9.308 8.807 1.00 0.00 C ATOM 1114 O GLU A 76 -4.247 10.154 9.486 1.00 0.00 O ATOM 1115 CB GLU A 76 -5.207 9.702 6.877 1.00 0.00 C ATOM 1116 CG GLU A 76 -5.811 9.196 5.578 1.00 0.00 C ATOM 1117 CD GLU A 76 -6.973 10.047 5.104 1.00 0.00 C ATOM 1118 OE1 GLU A 76 -6.817 11.285 5.047 1.00 0.00 O ATOM 1119 OE2 GLU A 76 -8.038 9.476 4.789 1.00 0.00 O ATOM 0 H GLU A 76 -5.637 7.610 8.816 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.534 8.356 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.011 9.997 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.620 10.597 6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.041 9.177 4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.150 8.169 5.715 1.00 0.00 H new ATOM 1126 N PRO A 77 -2.425 8.888 9.098 1.00 0.00 N ATOM 1127 CA PRO A 77 -1.663 9.399 10.242 1.00 0.00 C ATOM 1128 C PRO A 77 -1.233 10.849 10.050 1.00 0.00 C ATOM 1129 O PRO A 77 -1.101 11.325 8.923 1.00 0.00 O ATOM 1130 CB PRO A 77 -0.440 8.480 10.293 1.00 0.00 C ATOM 1131 CG PRO A 77 -0.279 7.985 8.897 1.00 0.00 C ATOM 1132 CD PRO A 77 -1.669 7.883 8.332 1.00 0.00 C ATOM 0 HA PRO A 77 -2.253 9.397 11.159 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.447 9.019 10.626 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.593 7.656 10.990 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.332 8.669 8.308 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.221 7.017 8.881 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.685 8.097 7.263 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.083 6.883 8.463 1.00 0.00 H new ATOM 1140 N LYS A 78 -1.015 11.548 11.159 1.00 0.00 N ATOM 1141 CA LYS A 78 -0.598 12.945 11.115 1.00 0.00 C ATOM 1142 C LYS A 78 0.913 13.055 10.939 1.00 0.00 C ATOM 1143 O LYS A 78 1.672 12.267 11.502 1.00 0.00 O ATOM 1144 CB LYS A 78 -1.028 13.668 12.394 1.00 0.00 C ATOM 1145 CG LYS A 78 -1.717 14.997 12.138 1.00 0.00 C ATOM 1146 CD LYS A 78 -3.226 14.878 12.268 1.00 0.00 C ATOM 1147 CE LYS A 78 -3.944 15.720 11.225 1.00 0.00 C ATOM 1148 NZ LYS A 78 -5.069 16.496 11.818 1.00 0.00 N ATOM 0 H LYS A 78 -1.120 11.169 12.100 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.081 13.416 10.259 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.701 13.022 12.958 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.151 13.837 13.018 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.348 15.741 12.844 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.464 15.352 11.139 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.520 13.834 12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.532 15.194 13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.235 16.405 10.761 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.326 15.073 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.533 17.057 11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.758 15.841 12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.702 17.132 12.554 1.00 0.00 H new ATOM 1162 N HIS A 79 1.342 14.040 10.155 1.00 0.00 N ATOM 1163 CA HIS A 79 2.763 14.254 9.906 1.00 0.00 C ATOM 1164 C HIS A 79 3.019 15.672 9.405 1.00 0.00 C ATOM 1165 O HIS A 79 3.953 16.339 9.849 1.00 0.00 O ATOM 1166 CB HIS A 79 3.283 13.239 8.888 1.00 0.00 C ATOM 1167 CG HIS A 79 2.961 13.595 7.470 1.00 0.00 C ATOM 1168 ND1 HIS A 79 1.693 13.493 6.938 1.00 0.00 N ATOM 1169 CD2 HIS A 79 3.750 14.056 6.471 1.00 0.00 C ATOM 1170 CE1 HIS A 79 1.716 13.874 5.673 1.00 0.00 C ATOM 1171 NE2 HIS A 79 2.952 14.222 5.365 1.00 0.00 N ATOM 0 H HIS A 79 0.726 14.702 9.682 1.00 0.00 H new ATOM 0 HA HIS A 79 3.296 14.118 10.847 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.364 13.150 8.995 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.859 12.261 9.114 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.810 14.256 6.532 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.868 13.897 5.005 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.264 14.559 4.454 1.00 0.00 H new ATOM 1179 N ASN A 80 2.182 16.127 8.478 1.00 0.00 N ATOM 1180 CA ASN A 80 2.319 17.465 7.917 1.00 0.00 C ATOM 1181 C ASN A 80 3.789 17.853 7.781 1.00 0.00 C ATOM 1182 O ASN A 80 4.371 18.444 8.690 1.00 0.00 O ATOM 1183 CB ASN A 80 1.590 18.486 8.792 1.00 0.00 C ATOM 1184 CG ASN A 80 0.101 18.535 8.506 1.00 0.00 C ATOM 1185 OD1 ASN A 80 -0.433 19.572 8.113 1.00 0.00 O ATOM 1186 ND2 ASN A 80 -0.575 17.410 8.705 1.00 0.00 N ATOM 0 H ASN A 80 1.402 15.589 8.100 1.00 0.00 H new ATOM 0 HA ASN A 80 1.870 17.461 6.924 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.748 18.239 9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.021 19.474 8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.580 17.381 8.531 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.090 16.574 9.032 1.00 0.00 H new ATOM 1193 N SER A 81 4.382 17.514 6.642 1.00 0.00 N ATOM 1194 CA SER A 81 5.784 17.822 6.389 1.00 0.00 C ATOM 1195 C SER A 81 6.057 17.928 4.891 1.00 0.00 C ATOM 1196 O SER A 81 5.740 17.019 4.127 1.00 0.00 O ATOM 1197 CB SER A 81 6.684 16.749 7.007 1.00 0.00 C ATOM 1198 OG SER A 81 7.971 17.269 7.297 1.00 0.00 O ATOM 0 H SER A 81 3.913 17.026 5.879 1.00 0.00 H new ATOM 0 HA SER A 81 6.007 18.784 6.850 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.227 16.369 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.775 15.906 6.321 1.00 0.00 H new ATOM 0 HG SER A 81 8.527 16.565 7.692 1.00 0.00 H new ATOM 1204 N ASN A 82 6.647 19.047 4.482 1.00 0.00 N ATOM 1205 CA ASN A 82 6.961 19.273 3.075 1.00 0.00 C ATOM 1206 C ASN A 82 8.459 19.130 2.824 1.00 0.00 C ATOM 1207 O ASN A 82 9.274 19.333 3.724 1.00 0.00 O ATOM 1208 CB ASN A 82 6.491 20.664 2.644 1.00 0.00 C ATOM 1209 CG ASN A 82 5.749 20.639 1.323 1.00 0.00 C ATOM 1210 OD1 ASN A 82 5.913 19.717 0.523 1.00 0.00 O ATOM 1211 ND2 ASN A 82 4.926 21.654 1.087 1.00 0.00 N ATOM 0 H ASN A 82 6.917 19.810 5.103 1.00 0.00 H new ATOM 0 HA ASN A 82 6.438 18.521 2.485 1.00 0.00 H new ATOM 0 HB2 ASN A 82 5.842 21.080 3.414 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.353 21.326 2.561 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.399 21.691 0.214 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.821 22.397 1.778 1.00 0.00 H new ATOM 1218 N SER A 83 8.816 18.780 1.592 1.00 0.00 N ATOM 1219 CA SER A 83 10.215 18.606 1.221 1.00 0.00 C ATOM 1220 C SER A 83 10.638 19.648 0.191 1.00 0.00 C ATOM 1221 O SER A 83 9.959 19.855 -0.814 1.00 0.00 O ATOM 1222 CB SER A 83 10.447 17.199 0.666 1.00 0.00 C ATOM 1223 OG SER A 83 11.794 16.797 0.842 1.00 0.00 O ATOM 0 H SER A 83 8.155 18.611 0.834 1.00 0.00 H new ATOM 0 HA SER A 83 10.822 18.740 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.785 16.493 1.168 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.193 17.176 -0.394 1.00 0.00 H new ATOM 0 HG SER A 83 11.916 15.894 0.481 1.00 0.00 H new ATOM 1229 N GLY A 84 11.766 20.304 0.449 1.00 0.00 N ATOM 1230 CA GLY A 84 12.260 21.317 -0.464 1.00 0.00 C ATOM 1231 C GLY A 84 12.789 22.541 0.259 1.00 0.00 C ATOM 1232 O GLY A 84 13.991 22.807 0.275 1.00 0.00 O ATOM 0 H GLY A 84 12.346 20.151 1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.053 20.892 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.458 21.616 -1.139 1.00 0.00 H new ATOM 1236 N PRO A 85 11.878 23.310 0.872 1.00 0.00 N ATOM 1237 CA PRO A 85 12.235 24.526 1.610 1.00 0.00 C ATOM 1238 C PRO A 85 12.989 24.220 2.900 1.00 0.00 C ATOM 1239 O PRO A 85 12.640 23.291 3.629 1.00 0.00 O ATOM 1240 CB PRO A 85 10.878 25.163 1.921 1.00 0.00 C ATOM 1241 CG PRO A 85 9.915 24.027 1.918 1.00 0.00 C ATOM 1242 CD PRO A 85 10.428 23.053 0.894 1.00 0.00 C ATOM 0 HA PRO A 85 12.902 25.170 1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 85 10.890 25.669 2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 85 10.611 25.910 1.173 1.00 0.00 H new ATOM 0 HG2 PRO A 85 9.855 23.563 2.903 1.00 0.00 H new ATOM 0 HG3 PRO A 85 8.911 24.367 1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.207 22.023 1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.975 23.222 -0.083 1.00 0.00 H new ATOM 1250 N SER A 86 14.023 25.007 3.176 1.00 0.00 N ATOM 1251 CA SER A 86 14.828 24.818 4.377 1.00 0.00 C ATOM 1252 C SER A 86 15.192 26.160 5.004 1.00 0.00 C ATOM 1253 O SER A 86 15.078 26.343 6.216 1.00 0.00 O ATOM 1254 CB SER A 86 16.101 24.035 4.047 1.00 0.00 C ATOM 1255 OG SER A 86 16.633 23.413 5.203 1.00 0.00 O ATOM 0 H SER A 86 14.323 25.782 2.584 1.00 0.00 H new ATOM 0 HA SER A 86 14.236 24.249 5.094 1.00 0.00 H new ATOM 0 HB2 SER A 86 15.881 23.280 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 86 16.844 24.707 3.618 1.00 0.00 H new ATOM 0 HG SER A 86 17.444 22.918 4.964 1.00 0.00 H new ATOM 1261 N SER A 87 15.632 27.096 4.169 1.00 0.00 N ATOM 1262 CA SER A 87 16.016 28.422 4.641 1.00 0.00 C ATOM 1263 C SER A 87 14.859 29.095 5.371 1.00 0.00 C ATOM 1264 O SER A 87 13.972 29.679 4.748 1.00 0.00 O ATOM 1265 CB SER A 87 16.470 29.291 3.468 1.00 0.00 C ATOM 1266 OG SER A 87 15.399 29.545 2.576 1.00 0.00 O ATOM 0 H SER A 87 15.732 26.961 3.163 1.00 0.00 H new ATOM 0 HA SER A 87 16.844 28.307 5.340 1.00 0.00 H new ATOM 0 HB2 SER A 87 16.867 30.235 3.843 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.281 28.794 2.935 1.00 0.00 H new ATOM 0 HG SER A 87 14.609 29.823 3.084 1.00 0.00 H new ATOM 1272 N GLY A 88 14.874 29.010 6.698 1.00 0.00 N ATOM 1273 CA GLY A 88 13.821 29.616 7.492 1.00 0.00 C ATOM 1274 C GLY A 88 13.533 28.839 8.762 1.00 0.00 C ATOM 1275 O GLY A 88 13.957 29.234 9.848 1.00 0.00 O ATOM 0 H GLY A 88 15.596 28.532 7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 88 14.106 30.636 7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.911 29.681 6.895 1.00 0.00 H new TER 1279 GLY A 88