USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=23 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 71 HIS : no HE2:sc= -0.173 X(o=-0.17,f=0) USER MOD Set 1.2: A 73 SER OG : rot 104:sc=0.000172 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc=-0.00882 USER MOD Set 2.2: A 17 MET CE :methyl -124:sc= -1.03 (180deg=-3.56!) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.00711 (180deg=0) USER MOD Single : A 2 SER OG : rot 68:sc= 0.174 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 151:sc= 0.00905 USER MOD Single : A 6 SER OG : rot 180:sc=0.000573 USER MOD Single : A 13 CYS SG : rot -53:sc= 1.16 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -88:sc= 0.481 USER MOD Single : A 28 GLN : amide:sc= 0.0842 X(o=0.084,f=0) USER MOD Single : A 29 TYR OH : rot 30:sc= -1.32! USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.0616 (180deg=-0.358) USER MOD Single : A 48 THR OG1 : rot -37:sc= 0.214 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.316 K(o=-0.32,f=-3.1!) USER MOD Single : A 57 SER OG : rot 100:sc= 0.969 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.0448 USER MOD Single : A 66 LYS NZ :NH3+ -143:sc= 1.1 (180deg=0.189) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.0842 X(o=0.084,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0487 X(o=-0.049,f=-0.18) USER MOD Single : A 80 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.052) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.625 21.741 4.779 1.00 0.00 N ATOM 2 CA GLY A 1 -12.439 20.660 5.305 1.00 0.00 C ATOM 3 C GLY A 1 -12.152 19.335 4.625 1.00 0.00 C ATOM 4 O GLY A 1 -11.968 19.280 3.410 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.227 22.568 4.588 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.896 21.997 5.475 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.169 21.434 3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.260 20.562 6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.493 20.909 5.180 1.00 0.00 H new ATOM 8 N SER A 2 -12.113 18.264 5.412 1.00 0.00 N ATOM 9 CA SER A 2 -11.842 16.934 4.881 1.00 0.00 C ATOM 10 C SER A 2 -11.691 15.918 6.009 1.00 0.00 C ATOM 11 O SER A 2 -11.410 16.280 7.151 1.00 0.00 O ATOM 12 CB SER A 2 -10.574 16.953 4.024 1.00 0.00 C ATOM 13 OG SER A 2 -10.879 16.736 2.657 1.00 0.00 O ATOM 0 H SER A 2 -12.266 18.292 6.420 1.00 0.00 H new ATOM 0 HA SER A 2 -12.688 16.639 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.068 17.911 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.884 16.184 4.372 1.00 0.00 H new ATOM 0 HG SER A 2 -11.370 17.508 2.305 1.00 0.00 H new ATOM 19 N SER A 3 -11.880 14.645 5.679 1.00 0.00 N ATOM 20 CA SER A 3 -11.770 13.576 6.664 1.00 0.00 C ATOM 21 C SER A 3 -11.639 12.218 5.980 1.00 0.00 C ATOM 22 O SER A 3 -12.270 11.243 6.385 1.00 0.00 O ATOM 23 CB SER A 3 -12.989 13.578 7.590 1.00 0.00 C ATOM 24 OG SER A 3 -14.191 13.470 6.849 1.00 0.00 O ATOM 0 H SER A 3 -12.110 14.329 4.737 1.00 0.00 H new ATOM 0 HA SER A 3 -10.873 13.753 7.257 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.916 12.749 8.294 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.002 14.496 8.178 1.00 0.00 H new ATOM 0 HG SER A 3 -14.955 13.472 7.463 1.00 0.00 H new ATOM 30 N GLY A 4 -10.815 12.163 4.938 1.00 0.00 N ATOM 31 CA GLY A 4 -10.616 10.922 4.214 1.00 0.00 C ATOM 32 C GLY A 4 -9.581 11.052 3.114 1.00 0.00 C ATOM 33 O GLY A 4 -9.298 12.156 2.646 1.00 0.00 O ATOM 0 H GLY A 4 -10.282 12.956 4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.305 10.144 4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.564 10.602 3.781 1.00 0.00 H new ATOM 37 N SER A 5 -9.015 9.923 2.699 1.00 0.00 N ATOM 38 CA SER A 5 -8.001 9.917 1.650 1.00 0.00 C ATOM 39 C SER A 5 -8.083 8.637 0.825 1.00 0.00 C ATOM 40 O SER A 5 -8.806 7.704 1.175 1.00 0.00 O ATOM 41 CB SER A 5 -6.606 10.056 2.260 1.00 0.00 C ATOM 42 OG SER A 5 -6.040 11.319 1.955 1.00 0.00 O ATOM 0 H SER A 5 -9.241 9.001 3.073 1.00 0.00 H new ATOM 0 HA SER A 5 -8.188 10.766 0.992 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.664 9.932 3.341 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.960 9.264 1.882 1.00 0.00 H new ATOM 0 HG SER A 5 -5.423 11.582 2.669 1.00 0.00 H new ATOM 48 N SER A 6 -7.335 8.600 -0.273 1.00 0.00 N ATOM 49 CA SER A 6 -7.323 7.436 -1.152 1.00 0.00 C ATOM 50 C SER A 6 -6.125 6.541 -0.853 1.00 0.00 C ATOM 51 O SER A 6 -5.609 5.859 -1.737 1.00 0.00 O ATOM 52 CB SER A 6 -7.292 7.876 -2.617 1.00 0.00 C ATOM 53 OG SER A 6 -6.241 8.798 -2.849 1.00 0.00 O ATOM 0 H SER A 6 -6.729 9.363 -0.575 1.00 0.00 H new ATOM 0 HA SER A 6 -8.234 6.866 -0.970 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.164 7.005 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.246 8.332 -2.884 1.00 0.00 H new ATOM 0 HG SER A 6 -6.241 9.063 -3.792 1.00 0.00 H new ATOM 59 N GLY A 7 -5.688 6.548 0.403 1.00 0.00 N ATOM 60 CA GLY A 7 -4.553 5.733 0.798 1.00 0.00 C ATOM 61 C GLY A 7 -4.906 4.736 1.883 1.00 0.00 C ATOM 62 O GLY A 7 -5.428 5.109 2.934 1.00 0.00 O ATOM 0 H GLY A 7 -6.099 7.103 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.173 5.199 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.750 6.380 1.151 1.00 0.00 H new ATOM 66 N VAL A 8 -4.621 3.462 1.629 1.00 0.00 N ATOM 67 CA VAL A 8 -4.912 2.407 2.592 1.00 0.00 C ATOM 68 C VAL A 8 -3.653 1.625 2.948 1.00 0.00 C ATOM 69 O VAL A 8 -2.714 1.546 2.155 1.00 0.00 O ATOM 70 CB VAL A 8 -5.974 1.431 2.052 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.346 2.087 2.039 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.592 0.947 0.661 1.00 0.00 C ATOM 0 H VAL A 8 -4.189 3.136 0.764 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.299 2.894 3.487 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.019 0.566 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.083 1.382 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.619 2.380 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.321 2.970 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.353 0.258 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.519 1.800 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.630 0.436 0.705 1.00 0.00 H new ATOM 82 N PHE A 9 -3.639 1.049 4.146 1.00 0.00 N ATOM 83 CA PHE A 9 -2.494 0.273 4.607 1.00 0.00 C ATOM 84 C PHE A 9 -2.736 -1.221 4.412 1.00 0.00 C ATOM 85 O PHE A 9 -3.707 -1.777 4.924 1.00 0.00 O ATOM 86 CB PHE A 9 -2.214 0.566 6.083 1.00 0.00 C ATOM 87 CG PHE A 9 -1.625 1.928 6.321 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.516 2.352 5.607 1.00 0.00 C ATOM 89 CD2 PHE A 9 -2.180 2.782 7.261 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.028 3.604 5.825 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.640 4.036 7.481 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.535 4.447 6.763 1.00 0.00 C ATOM 0 H PHE A 9 -4.407 1.105 4.814 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.627 0.564 4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.143 0.477 6.646 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.532 -0.190 6.472 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.072 1.697 4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.043 2.465 7.828 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.893 3.923 5.262 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.083 4.694 8.214 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.112 5.426 6.934 1.00 0.00 H new ATOM 102 N VAL A 10 -1.844 -1.866 3.666 1.00 0.00 N ATOM 103 CA VAL A 10 -1.958 -3.295 3.402 1.00 0.00 C ATOM 104 C VAL A 10 -1.048 -4.099 4.325 1.00 0.00 C ATOM 105 O VAL A 10 0.060 -4.474 3.947 1.00 0.00 O ATOM 106 CB VAL A 10 -1.608 -3.625 1.939 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.982 -5.063 1.613 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.303 -2.657 0.994 1.00 0.00 C ATOM 0 H VAL A 10 -1.034 -1.421 3.234 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.996 -3.570 3.590 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.532 -3.516 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.728 -5.279 0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.434 -5.739 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.053 -5.203 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.045 -2.905 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.382 -2.732 1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.981 -1.639 1.214 1.00 0.00 H new ATOM 118 N GLY A 11 -1.526 -4.359 5.539 1.00 0.00 N ATOM 119 CA GLY A 11 -0.743 -5.118 6.496 1.00 0.00 C ATOM 120 C GLY A 11 -0.638 -6.585 6.129 1.00 0.00 C ATOM 121 O GLY A 11 -0.994 -6.980 5.018 1.00 0.00 O ATOM 0 H GLY A 11 -2.440 -4.058 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.258 -4.691 6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.194 -5.026 7.484 1.00 0.00 H new ATOM 125 N ARG A 12 -0.148 -7.393 7.062 1.00 0.00 N ATOM 126 CA ARG A 12 0.005 -8.824 6.830 1.00 0.00 C ATOM 127 C ARG A 12 0.803 -9.086 5.555 1.00 0.00 C ATOM 128 O ARG A 12 0.741 -10.176 4.985 1.00 0.00 O ATOM 129 CB ARG A 12 -1.366 -9.497 6.733 1.00 0.00 C ATOM 130 CG ARG A 12 -1.692 -10.389 7.918 1.00 0.00 C ATOM 131 CD ARG A 12 -2.430 -11.646 7.483 1.00 0.00 C ATOM 132 NE ARG A 12 -2.397 -12.684 8.510 1.00 0.00 N ATOM 133 CZ ARG A 12 -2.970 -13.873 8.372 1.00 0.00 C ATOM 134 NH1 ARG A 12 -3.618 -14.175 7.255 1.00 0.00 N ATOM 135 NH2 ARG A 12 -2.896 -14.765 9.352 1.00 0.00 N ATOM 0 H ARG A 12 0.150 -7.081 7.986 1.00 0.00 H new ATOM 0 HA ARG A 12 0.551 -9.247 7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.133 -8.728 6.646 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.406 -10.091 5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.771 -10.666 8.431 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.302 -9.837 8.633 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.466 -11.397 7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.983 -12.029 6.566 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.906 -12.484 9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.677 -13.493 6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.057 -15.090 7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.398 -14.537 10.213 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.337 -15.678 9.245 1.00 0.00 H new ATOM 149 N CYS A 13 1.549 -8.080 5.115 1.00 0.00 N ATOM 150 CA CYS A 13 2.358 -8.200 3.907 1.00 0.00 C ATOM 151 C CYS A 13 3.706 -8.845 4.217 1.00 0.00 C ATOM 152 O CYS A 13 4.002 -9.167 5.367 1.00 0.00 O ATOM 153 CB CYS A 13 2.572 -6.825 3.273 1.00 0.00 C ATOM 154 SG CYS A 13 1.785 -6.628 1.657 1.00 0.00 S ATOM 0 H CYS A 13 1.611 -7.172 5.576 1.00 0.00 H new ATOM 0 HA CYS A 13 1.823 -8.838 3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.187 -6.061 3.949 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.642 -6.647 3.168 1.00 0.00 H new ATOM 0 HG CYS A 13 2.153 -7.598 0.874 1.00 0.00 H new ATOM 160 N THR A 14 4.518 -9.033 3.181 1.00 0.00 N ATOM 161 CA THR A 14 5.832 -9.642 3.342 1.00 0.00 C ATOM 162 C THR A 14 6.884 -8.906 2.520 1.00 0.00 C ATOM 163 O THR A 14 6.616 -8.463 1.405 1.00 0.00 O ATOM 164 CB THR A 14 5.819 -11.125 2.925 1.00 0.00 C ATOM 165 OG1 THR A 14 5.740 -11.233 1.500 1.00 0.00 O ATOM 166 CG2 THR A 14 4.643 -11.854 3.560 1.00 0.00 C ATOM 0 H THR A 14 4.288 -8.772 2.222 1.00 0.00 H new ATOM 0 HA THR A 14 6.085 -9.571 4.400 1.00 0.00 H new ATOM 0 HB THR A 14 6.744 -11.586 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.734 -12.179 1.243 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.654 -12.899 3.252 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.722 -11.795 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.711 -11.390 3.238 1.00 0.00 H new ATOM 174 N GLY A 15 8.083 -8.778 3.081 1.00 0.00 N ATOM 175 CA GLY A 15 9.158 -8.094 2.385 1.00 0.00 C ATOM 176 C GLY A 15 9.295 -8.544 0.945 1.00 0.00 C ATOM 177 O GLY A 15 9.398 -7.720 0.037 1.00 0.00 O ATOM 0 H GLY A 15 8.329 -9.135 4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.977 -7.019 2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.097 -8.272 2.909 1.00 0.00 H new ATOM 181 N ASP A 16 9.299 -9.856 0.735 1.00 0.00 N ATOM 182 CA ASP A 16 9.427 -10.416 -0.605 1.00 0.00 C ATOM 183 C ASP A 16 8.634 -9.592 -1.615 1.00 0.00 C ATOM 184 O ASP A 16 9.189 -9.091 -2.592 1.00 0.00 O ATOM 185 CB ASP A 16 8.944 -11.868 -0.623 1.00 0.00 C ATOM 186 CG ASP A 16 9.619 -12.689 -1.703 1.00 0.00 C ATOM 187 OD1 ASP A 16 9.186 -12.603 -2.872 1.00 0.00 O ATOM 188 OD2 ASP A 16 10.581 -13.418 -1.381 1.00 0.00 O ATOM 0 H ASP A 16 9.215 -10.552 1.476 1.00 0.00 H new ATOM 0 HA ASP A 16 10.480 -10.388 -0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.135 -12.324 0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.865 -11.887 -0.777 1.00 0.00 H new ATOM 193 N MET A 17 7.334 -9.458 -1.373 1.00 0.00 N ATOM 194 CA MET A 17 6.467 -8.694 -2.262 1.00 0.00 C ATOM 195 C MET A 17 7.144 -7.400 -2.703 1.00 0.00 C ATOM 196 O MET A 17 7.869 -6.771 -1.931 1.00 0.00 O ATOM 197 CB MET A 17 5.141 -8.379 -1.568 1.00 0.00 C ATOM 198 CG MET A 17 4.274 -9.604 -1.327 1.00 0.00 C ATOM 199 SD MET A 17 2.671 -9.191 -0.613 1.00 0.00 S ATOM 200 CE MET A 17 2.228 -10.750 0.149 1.00 0.00 C ATOM 0 H MET A 17 6.858 -9.868 -0.569 1.00 0.00 H new ATOM 0 HA MET A 17 6.271 -9.300 -3.147 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.346 -7.896 -0.613 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.584 -7.664 -2.174 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.123 -10.129 -2.270 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.798 -10.290 -0.661 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.261 -11.080 -0.232 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.985 -11.498 -0.086 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.167 -10.622 1.230 1.00 0.00 H new ATOM 210 N THR A 18 6.904 -7.007 -3.950 1.00 0.00 N ATOM 211 CA THR A 18 7.491 -5.789 -4.494 1.00 0.00 C ATOM 212 C THR A 18 6.412 -4.825 -4.973 1.00 0.00 C ATOM 213 O THR A 18 5.386 -5.244 -5.510 1.00 0.00 O ATOM 214 CB THR A 18 8.442 -6.099 -5.665 1.00 0.00 C ATOM 215 OG1 THR A 18 7.740 -6.803 -6.695 1.00 0.00 O ATOM 216 CG2 THR A 18 9.626 -6.930 -5.194 1.00 0.00 C ATOM 0 H THR A 18 6.307 -7.515 -4.602 1.00 0.00 H new ATOM 0 HA THR A 18 8.058 -5.324 -3.688 1.00 0.00 H new ATOM 0 HB THR A 18 8.814 -5.154 -6.061 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.352 -6.994 -7.436 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.284 -7.137 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.176 -6.379 -4.431 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.267 -7.870 -4.775 1.00 0.00 H new ATOM 224 N GLU A 19 6.650 -3.532 -4.775 1.00 0.00 N ATOM 225 CA GLU A 19 5.696 -2.508 -5.188 1.00 0.00 C ATOM 226 C GLU A 19 5.020 -2.892 -6.501 1.00 0.00 C ATOM 227 O GLU A 19 3.822 -2.677 -6.680 1.00 0.00 O ATOM 228 CB GLU A 19 6.399 -1.158 -5.339 1.00 0.00 C ATOM 229 CG GLU A 19 6.844 -0.551 -4.019 1.00 0.00 C ATOM 230 CD GLU A 19 7.908 0.515 -4.197 1.00 0.00 C ATOM 231 OE1 GLU A 19 8.748 0.370 -5.109 1.00 0.00 O ATOM 232 OE2 GLU A 19 7.899 1.494 -3.422 1.00 0.00 O ATOM 0 H GLU A 19 7.494 -3.169 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 19 4.931 -2.427 -4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.269 -1.281 -5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.727 -0.462 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.981 -0.117 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.229 -1.339 -3.372 1.00 0.00 H new ATOM 239 N ASP A 20 5.797 -3.462 -7.415 1.00 0.00 N ATOM 240 CA ASP A 20 5.273 -3.877 -8.711 1.00 0.00 C ATOM 241 C ASP A 20 4.123 -4.864 -8.542 1.00 0.00 C ATOM 242 O ASP A 20 3.015 -4.628 -9.023 1.00 0.00 O ATOM 243 CB ASP A 20 6.383 -4.508 -9.555 1.00 0.00 C ATOM 244 CG ASP A 20 6.265 -4.154 -11.024 1.00 0.00 C ATOM 245 OD1 ASP A 20 5.545 -4.868 -11.751 1.00 0.00 O ATOM 246 OD2 ASP A 20 6.896 -3.162 -11.448 1.00 0.00 O ATOM 0 H ASP A 20 6.791 -3.647 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 20 4.896 -2.992 -9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.352 -4.177 -9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.350 -5.592 -9.442 1.00 0.00 H new ATOM 251 N GLU A 21 4.394 -5.971 -7.857 1.00 0.00 N ATOM 252 CA GLU A 21 3.382 -6.994 -7.627 1.00 0.00 C ATOM 253 C GLU A 21 2.067 -6.366 -7.170 1.00 0.00 C ATOM 254 O GLU A 21 1.024 -6.559 -7.794 1.00 0.00 O ATOM 255 CB GLU A 21 3.869 -8.000 -6.583 1.00 0.00 C ATOM 256 CG GLU A 21 5.188 -8.661 -6.944 1.00 0.00 C ATOM 257 CD GLU A 21 5.041 -10.143 -7.228 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.326 -10.493 -8.190 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.639 -10.952 -6.489 1.00 0.00 O ATOM 0 H GLU A 21 5.306 -6.182 -7.452 1.00 0.00 H new ATOM 0 HA GLU A 21 3.208 -7.515 -8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.977 -7.493 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.110 -8.771 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.609 -8.167 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.896 -8.520 -6.127 1.00 0.00 H new ATOM 266 N LEU A 22 2.128 -5.614 -6.076 1.00 0.00 N ATOM 267 CA LEU A 22 0.944 -4.957 -5.533 1.00 0.00 C ATOM 268 C LEU A 22 0.370 -3.957 -6.532 1.00 0.00 C ATOM 269 O LEU A 22 -0.847 -3.835 -6.675 1.00 0.00 O ATOM 270 CB LEU A 22 1.285 -4.248 -4.223 1.00 0.00 C ATOM 271 CG LEU A 22 1.804 -5.139 -3.093 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.655 -4.330 -2.125 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.647 -5.802 -2.363 1.00 0.00 C ATOM 0 H LEU A 22 2.984 -5.444 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 22 0.192 -5.721 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.035 -3.485 -4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.393 -3.731 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 22 2.427 -5.920 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.016 -4.979 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.505 -3.902 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.055 -3.528 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.035 -6.432 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.003 -5.036 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.078 -6.414 -3.063 1.00 0.00 H new ATOM 285 N ARG A 23 1.254 -3.244 -7.223 1.00 0.00 N ATOM 286 CA ARG A 23 0.837 -2.256 -8.208 1.00 0.00 C ATOM 287 C ARG A 23 0.013 -2.907 -9.316 1.00 0.00 C ATOM 288 O ARG A 23 -0.938 -2.314 -9.824 1.00 0.00 O ATOM 289 CB ARG A 23 2.057 -1.557 -8.810 1.00 0.00 C ATOM 290 CG ARG A 23 1.715 -0.296 -9.588 1.00 0.00 C ATOM 291 CD ARG A 23 2.710 0.819 -9.307 1.00 0.00 C ATOM 292 NE ARG A 23 3.075 1.545 -10.520 1.00 0.00 N ATOM 293 CZ ARG A 23 4.077 2.415 -10.583 1.00 0.00 C ATOM 294 NH1 ARG A 23 4.811 2.665 -9.508 1.00 0.00 N ATOM 295 NH2 ARG A 23 4.348 3.036 -11.724 1.00 0.00 N ATOM 0 H ARG A 23 2.265 -3.333 -7.118 1.00 0.00 H new ATOM 0 HA ARG A 23 0.216 -1.517 -7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.751 -1.302 -8.009 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.574 -2.252 -9.471 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.706 -0.517 -10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.711 0.035 -9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.282 1.513 -8.584 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.607 0.398 -8.852 1.00 0.00 H new ATOM 0 HE ARG A 23 2.531 1.375 -11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.607 2.189 -8.629 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.580 3.333 -9.559 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.787 2.846 -12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.118 3.704 -11.771 1.00 0.00 H new ATOM 309 N GLU A 24 0.387 -4.128 -9.684 1.00 0.00 N ATOM 310 CA GLU A 24 -0.317 -4.858 -10.732 1.00 0.00 C ATOM 311 C GLU A 24 -1.446 -5.700 -10.145 1.00 0.00 C ATOM 312 O GLU A 24 -2.387 -6.073 -10.846 1.00 0.00 O ATOM 313 CB GLU A 24 0.655 -5.755 -11.502 1.00 0.00 C ATOM 314 CG GLU A 24 -0.015 -6.606 -12.567 1.00 0.00 C ATOM 315 CD GLU A 24 -0.809 -5.779 -13.560 1.00 0.00 C ATOM 316 OE1 GLU A 24 -0.346 -4.677 -13.921 1.00 0.00 O ATOM 317 OE2 GLU A 24 -1.896 -6.234 -13.974 1.00 0.00 O ATOM 0 H GLU A 24 1.172 -4.632 -9.273 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.749 -4.129 -11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.416 -5.132 -11.972 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.169 -6.408 -10.797 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.744 -7.178 -13.101 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.678 -7.326 -12.087 1.00 0.00 H new ATOM 324 N PHE A 25 -1.345 -5.996 -8.854 1.00 0.00 N ATOM 325 CA PHE A 25 -2.356 -6.796 -8.171 1.00 0.00 C ATOM 326 C PHE A 25 -3.639 -5.994 -7.971 1.00 0.00 C ATOM 327 O PHE A 25 -4.742 -6.517 -8.127 1.00 0.00 O ATOM 328 CB PHE A 25 -1.827 -7.279 -6.819 1.00 0.00 C ATOM 329 CG PHE A 25 -2.850 -8.019 -6.005 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.163 -9.337 -6.293 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.499 -7.395 -4.951 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.103 -10.021 -5.546 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.439 -8.074 -4.200 1.00 0.00 C ATOM 334 CZ PHE A 25 -4.743 -9.388 -4.499 1.00 0.00 C ATOM 0 H PHE A 25 -0.573 -5.694 -8.259 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.582 -7.661 -8.795 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.967 -7.928 -6.985 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.472 -6.420 -6.249 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.666 -9.836 -7.112 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.267 -6.367 -4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.337 -11.049 -5.781 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.936 -7.578 -3.380 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.480 -9.919 -3.915 1.00 0.00 H new ATOM 344 N PHE A 26 -3.486 -4.720 -7.623 1.00 0.00 N ATOM 345 CA PHE A 26 -4.631 -3.846 -7.399 1.00 0.00 C ATOM 346 C PHE A 26 -5.088 -3.203 -8.706 1.00 0.00 C ATOM 347 O PHE A 26 -6.177 -2.634 -8.782 1.00 0.00 O ATOM 348 CB PHE A 26 -4.279 -2.761 -6.380 1.00 0.00 C ATOM 349 CG PHE A 26 -4.146 -3.277 -4.976 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.264 -3.680 -4.263 1.00 0.00 C ATOM 351 CD2 PHE A 26 -2.904 -3.359 -4.368 1.00 0.00 C ATOM 352 CE1 PHE A 26 -5.144 -4.156 -2.971 1.00 0.00 C ATOM 353 CE2 PHE A 26 -2.779 -3.833 -3.077 1.00 0.00 C ATOM 354 CZ PHE A 26 -3.900 -4.233 -2.377 1.00 0.00 C ATOM 0 H PHE A 26 -2.580 -4.271 -7.490 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.448 -4.452 -7.007 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.343 -2.287 -6.675 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.048 -1.989 -6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.240 -3.621 -4.722 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.023 -3.049 -4.910 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.023 -4.468 -2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.805 -3.891 -2.615 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.804 -4.605 -1.368 1.00 0.00 H new ATOM 364 N SER A 27 -4.247 -3.299 -9.731 1.00 0.00 N ATOM 365 CA SER A 27 -4.562 -2.724 -11.034 1.00 0.00 C ATOM 366 C SER A 27 -5.885 -3.269 -11.563 1.00 0.00 C ATOM 367 O SER A 27 -6.552 -2.628 -12.375 1.00 0.00 O ATOM 368 CB SER A 27 -3.441 -3.021 -12.030 1.00 0.00 C ATOM 369 OG SER A 27 -3.698 -4.216 -12.747 1.00 0.00 O ATOM 0 H SER A 27 -3.343 -3.769 -9.685 1.00 0.00 H new ATOM 0 HA SER A 27 -4.656 -1.645 -10.914 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.340 -2.189 -12.727 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.493 -3.108 -11.499 1.00 0.00 H new ATOM 0 HG SER A 27 -3.337 -4.980 -12.250 1.00 0.00 H new ATOM 375 N GLN A 28 -6.259 -4.456 -11.095 1.00 0.00 N ATOM 376 CA GLN A 28 -7.501 -5.088 -11.522 1.00 0.00 C ATOM 377 C GLN A 28 -8.688 -4.538 -10.737 1.00 0.00 C ATOM 378 O GLN A 28 -9.802 -4.454 -11.255 1.00 0.00 O ATOM 379 CB GLN A 28 -7.415 -6.604 -11.342 1.00 0.00 C ATOM 380 CG GLN A 28 -7.697 -7.066 -9.922 1.00 0.00 C ATOM 381 CD GLN A 28 -7.481 -8.556 -9.740 1.00 0.00 C ATOM 382 OE1 GLN A 28 -8.412 -9.352 -9.877 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.250 -8.943 -9.429 1.00 0.00 N ATOM 0 H GLN A 28 -5.720 -4.999 -10.420 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.650 -4.863 -12.578 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.124 -7.082 -12.018 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.420 -6.940 -11.633 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.052 -6.522 -9.232 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.725 -6.817 -9.660 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.509 -8.250 -9.325 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.046 -9.933 -9.294 1.00 0.00 H new ATOM 392 N TYR A 29 -8.443 -4.167 -9.485 1.00 0.00 N ATOM 393 CA TYR A 29 -9.493 -3.629 -8.627 1.00 0.00 C ATOM 394 C TYR A 29 -9.819 -2.188 -9.006 1.00 0.00 C ATOM 395 O TYR A 29 -10.985 -1.816 -9.132 1.00 0.00 O ATOM 396 CB TYR A 29 -9.066 -3.699 -7.160 1.00 0.00 C ATOM 397 CG TYR A 29 -9.030 -5.105 -6.606 1.00 0.00 C ATOM 398 CD1 TYR A 29 -7.957 -5.949 -6.869 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.066 -5.590 -5.819 1.00 0.00 C ATOM 400 CE1 TYR A 29 -7.919 -7.234 -6.367 1.00 0.00 C ATOM 401 CE2 TYR A 29 -10.037 -6.875 -5.311 1.00 0.00 C ATOM 402 CZ TYR A 29 -8.961 -7.693 -5.588 1.00 0.00 C ATOM 403 OH TYR A 29 -8.927 -8.973 -5.084 1.00 0.00 O ATOM 0 H TYR A 29 -7.527 -4.229 -9.041 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.389 -4.234 -8.767 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.078 -3.251 -7.056 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.752 -3.099 -6.562 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.139 -5.593 -7.477 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.909 -4.952 -5.600 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.078 -7.877 -6.583 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.852 -7.237 -4.701 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.996 -9.243 -4.939 1.00 0.00 H new ATOM 413 N GLY A 30 -8.779 -1.380 -9.187 1.00 0.00 N ATOM 414 CA GLY A 30 -8.974 0.012 -9.550 1.00 0.00 C ATOM 415 C GLY A 30 -7.697 0.671 -10.032 1.00 0.00 C ATOM 416 O GLY A 30 -6.617 0.086 -9.944 1.00 0.00 O ATOM 0 H GLY A 30 -7.804 -1.664 -9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.730 0.078 -10.332 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.358 0.558 -8.689 1.00 0.00 H new ATOM 420 N ASP A 31 -7.819 1.890 -10.544 1.00 0.00 N ATOM 421 CA ASP A 31 -6.665 2.628 -11.043 1.00 0.00 C ATOM 422 C ASP A 31 -5.716 2.987 -9.904 1.00 0.00 C ATOM 423 O ASP A 31 -5.743 4.105 -9.387 1.00 0.00 O ATOM 424 CB ASP A 31 -7.119 3.899 -11.764 1.00 0.00 C ATOM 425 CG ASP A 31 -7.587 3.624 -13.180 1.00 0.00 C ATOM 426 OD1 ASP A 31 -8.735 3.163 -13.345 1.00 0.00 O ATOM 427 OD2 ASP A 31 -6.806 3.871 -14.122 1.00 0.00 O ATOM 0 H ASP A 31 -8.705 2.388 -10.624 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.133 1.989 -11.748 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.928 4.364 -11.201 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.296 4.613 -11.788 1.00 0.00 H new ATOM 432 N VAL A 32 -4.878 2.031 -9.516 1.00 0.00 N ATOM 433 CA VAL A 32 -3.919 2.247 -8.438 1.00 0.00 C ATOM 434 C VAL A 32 -2.891 3.305 -8.819 1.00 0.00 C ATOM 435 O VAL A 32 -1.879 3.002 -9.449 1.00 0.00 O ATOM 436 CB VAL A 32 -3.186 0.942 -8.071 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.524 0.338 -9.300 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.163 1.198 -6.975 1.00 0.00 C ATOM 0 H VAL A 32 -4.843 1.100 -9.931 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.486 2.593 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.917 0.227 -7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.011 -0.583 -9.022 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.283 0.118 -10.051 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.803 1.045 -9.709 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.654 0.266 -6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.433 1.929 -7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.668 1.582 -6.089 1.00 0.00 H new ATOM 448 N MET A 33 -3.158 4.549 -8.432 1.00 0.00 N ATOM 449 CA MET A 33 -2.254 5.652 -8.732 1.00 0.00 C ATOM 450 C MET A 33 -0.799 5.208 -8.623 1.00 0.00 C ATOM 451 O MET A 33 -0.033 5.320 -9.581 1.00 0.00 O ATOM 452 CB MET A 33 -2.515 6.825 -7.784 1.00 0.00 C ATOM 453 CG MET A 33 -3.554 7.806 -8.300 1.00 0.00 C ATOM 454 SD MET A 33 -2.816 9.296 -8.999 1.00 0.00 S ATOM 455 CE MET A 33 -4.185 9.930 -9.965 1.00 0.00 C ATOM 0 H MET A 33 -3.993 4.817 -7.910 1.00 0.00 H new ATOM 0 HA MET A 33 -2.440 5.974 -9.757 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.842 6.436 -6.820 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.579 7.357 -7.612 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.164 7.317 -9.059 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.222 8.084 -7.485 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.884 10.853 -10.460 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.473 9.193 -10.715 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.032 10.130 -9.308 1.00 0.00 H new ATOM 465 N ASP A 34 -0.424 4.707 -7.451 1.00 0.00 N ATOM 466 CA ASP A 34 0.940 4.246 -7.218 1.00 0.00 C ATOM 467 C ASP A 34 1.025 3.428 -5.933 1.00 0.00 C ATOM 468 O ASP A 34 0.065 3.357 -5.165 1.00 0.00 O ATOM 469 CB ASP A 34 1.897 5.436 -7.144 1.00 0.00 C ATOM 470 CG ASP A 34 3.105 5.264 -8.045 1.00 0.00 C ATOM 471 OD1 ASP A 34 4.114 4.692 -7.581 1.00 0.00 O ATOM 472 OD2 ASP A 34 3.042 5.703 -9.212 1.00 0.00 O ATOM 0 H ASP A 34 -1.045 4.610 -6.648 1.00 0.00 H new ATOM 0 HA ASP A 34 1.230 3.608 -8.053 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.365 6.345 -7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.231 5.567 -6.115 1.00 0.00 H new ATOM 477 N VAL A 35 2.179 2.811 -5.706 1.00 0.00 N ATOM 478 CA VAL A 35 2.390 1.999 -4.514 1.00 0.00 C ATOM 479 C VAL A 35 3.792 2.203 -3.950 1.00 0.00 C ATOM 480 O VAL A 35 4.785 1.836 -4.578 1.00 0.00 O ATOM 481 CB VAL A 35 2.183 0.502 -4.811 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.386 -0.327 -3.552 1.00 0.00 C ATOM 483 CG2 VAL A 35 0.800 0.263 -5.399 1.00 0.00 C ATOM 0 H VAL A 35 2.983 2.858 -6.332 1.00 0.00 H new ATOM 0 HA VAL A 35 1.654 2.322 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 35 2.925 0.189 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.235 -1.382 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.399 -0.178 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.669 -0.016 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.670 -0.800 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.041 0.592 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.697 0.826 -6.327 1.00 0.00 H new ATOM 493 N PHE A 36 3.865 2.791 -2.760 1.00 0.00 N ATOM 494 CA PHE A 36 5.146 3.045 -2.111 1.00 0.00 C ATOM 495 C PHE A 36 5.300 2.186 -0.858 1.00 0.00 C ATOM 496 O PHE A 36 4.312 1.758 -0.261 1.00 0.00 O ATOM 497 CB PHE A 36 5.271 4.525 -1.746 1.00 0.00 C ATOM 498 CG PHE A 36 6.409 4.818 -0.810 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.712 4.872 -1.277 1.00 0.00 C ATOM 500 CD2 PHE A 36 6.175 5.037 0.538 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.761 5.141 -0.418 1.00 0.00 C ATOM 502 CE2 PHE A 36 7.220 5.307 1.402 1.00 0.00 C ATOM 503 CZ PHE A 36 8.514 5.358 0.923 1.00 0.00 C ATOM 0 H PHE A 36 3.053 3.100 -2.226 1.00 0.00 H new ATOM 0 HA PHE A 36 5.939 2.782 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.403 5.106 -2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.340 4.858 -1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.911 4.702 -2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.165 4.996 0.918 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.772 5.181 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.024 5.478 2.450 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.332 5.567 1.596 1.00 0.00 H new ATOM 513 N ILE A 37 6.546 1.938 -0.468 1.00 0.00 N ATOM 514 CA ILE A 37 6.830 1.132 0.712 1.00 0.00 C ATOM 515 C ILE A 37 7.609 1.932 1.750 1.00 0.00 C ATOM 516 O ILE A 37 8.833 2.049 1.689 1.00 0.00 O ATOM 517 CB ILE A 37 7.629 -0.133 0.350 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.865 -0.969 -0.680 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.916 -0.954 1.598 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.622 -2.193 -1.146 1.00 0.00 C ATOM 0 H ILE A 37 7.374 2.284 -0.952 1.00 0.00 H new ATOM 0 HA ILE A 37 5.868 0.837 1.131 1.00 0.00 H new ATOM 0 HB ILE A 37 8.580 0.170 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.914 -1.282 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.633 -0.345 -1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.482 -1.845 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.497 -0.357 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.976 -1.249 2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.021 -2.737 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.561 -1.886 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.831 -2.838 -0.293 1.00 0.00 H new ATOM 532 N PRO A 38 6.885 2.497 2.728 1.00 0.00 N ATOM 533 CA PRO A 38 7.488 3.293 3.800 1.00 0.00 C ATOM 534 C PRO A 38 8.307 2.443 4.765 1.00 0.00 C ATOM 535 O PRO A 38 7.924 1.322 5.100 1.00 0.00 O ATOM 536 CB PRO A 38 6.277 3.898 4.516 1.00 0.00 C ATOM 537 CG PRO A 38 5.160 2.952 4.236 1.00 0.00 C ATOM 538 CD PRO A 38 5.422 2.399 2.863 1.00 0.00 C ATOM 0 HA PRO A 38 8.187 4.034 3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.457 3.993 5.587 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.053 4.897 4.141 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.128 2.155 4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.197 3.462 4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.078 1.368 2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.908 2.975 2.093 1.00 0.00 H new ATOM 546 N LYS A 39 9.438 2.983 5.207 1.00 0.00 N ATOM 547 CA LYS A 39 10.312 2.275 6.135 1.00 0.00 C ATOM 548 C LYS A 39 10.315 2.950 7.502 1.00 0.00 C ATOM 549 O LYS A 39 10.076 4.152 7.630 1.00 0.00 O ATOM 550 CB LYS A 39 11.737 2.216 5.580 1.00 0.00 C ATOM 551 CG LYS A 39 11.869 1.360 4.332 1.00 0.00 C ATOM 552 CD LYS A 39 13.255 0.747 4.221 1.00 0.00 C ATOM 553 CE LYS A 39 13.509 0.193 2.828 1.00 0.00 C ATOM 554 NZ LYS A 39 13.584 1.275 1.807 1.00 0.00 N ATOM 0 H LYS A 39 9.771 3.909 4.937 1.00 0.00 H new ATOM 0 HA LYS A 39 9.931 1.260 6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.072 3.228 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.402 1.825 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.120 0.568 4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.667 1.968 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.007 1.500 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.361 -0.051 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.440 -0.373 2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.713 -0.502 2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.094 0.928 0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.622 1.561 1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.088 2.093 2.205 1.00 0.00 H new ATOM 568 N PRO A 40 10.593 2.162 8.552 1.00 0.00 N ATOM 569 CA PRO A 40 10.878 0.731 8.414 1.00 0.00 C ATOM 570 C PRO A 40 9.644 -0.070 8.014 1.00 0.00 C ATOM 571 O PRO A 40 8.584 0.053 8.631 1.00 0.00 O ATOM 572 CB PRO A 40 11.349 0.326 9.813 1.00 0.00 C ATOM 573 CG PRO A 40 10.718 1.319 10.727 1.00 0.00 C ATOM 574 CD PRO A 40 10.649 2.607 9.954 1.00 0.00 C ATOM 0 HA PRO A 40 11.610 0.535 7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.038 -0.690 10.057 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.436 0.353 9.888 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.724 0.993 11.031 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.306 1.441 11.637 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.770 3.192 10.225 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.520 3.235 10.142 1.00 0.00 H new ATOM 582 N PHE A 41 9.786 -0.891 6.978 1.00 0.00 N ATOM 583 CA PHE A 41 8.681 -1.712 6.497 1.00 0.00 C ATOM 584 C PHE A 41 8.270 -2.741 7.545 1.00 0.00 C ATOM 585 O PHE A 41 9.042 -3.636 7.888 1.00 0.00 O ATOM 586 CB PHE A 41 9.073 -2.419 5.198 1.00 0.00 C ATOM 587 CG PHE A 41 8.295 -3.679 4.943 1.00 0.00 C ATOM 588 CD1 PHE A 41 8.716 -4.887 5.475 1.00 0.00 C ATOM 589 CD2 PHE A 41 7.144 -3.655 4.173 1.00 0.00 C ATOM 590 CE1 PHE A 41 8.003 -6.048 5.242 1.00 0.00 C ATOM 591 CE2 PHE A 41 6.427 -4.812 3.936 1.00 0.00 C ATOM 592 CZ PHE A 41 6.856 -6.010 4.473 1.00 0.00 C ATOM 0 H PHE A 41 10.655 -1.005 6.456 1.00 0.00 H new ATOM 0 HA PHE A 41 7.831 -1.057 6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.925 -1.735 4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.136 -2.658 5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.611 -4.922 6.078 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.803 -2.720 3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.342 -6.984 5.661 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.532 -4.780 3.332 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.296 -6.915 4.292 1.00 0.00 H new ATOM 602 N ARG A 42 7.048 -2.605 8.051 1.00 0.00 N ATOM 603 CA ARG A 42 6.534 -3.521 9.062 1.00 0.00 C ATOM 604 C ARG A 42 5.355 -4.322 8.522 1.00 0.00 C ATOM 605 O ARG A 42 4.196 -3.984 8.768 1.00 0.00 O ATOM 606 CB ARG A 42 6.110 -2.748 10.313 1.00 0.00 C ATOM 607 CG ARG A 42 5.419 -3.610 11.356 1.00 0.00 C ATOM 608 CD ARG A 42 5.124 -2.823 12.623 1.00 0.00 C ATOM 609 NE ARG A 42 5.989 -3.222 13.730 1.00 0.00 N ATOM 610 CZ ARG A 42 6.013 -4.449 14.239 1.00 0.00 C ATOM 611 NH1 ARG A 42 5.221 -5.391 13.743 1.00 0.00 N ATOM 612 NH2 ARG A 42 6.828 -4.736 15.246 1.00 0.00 N ATOM 0 H ARG A 42 6.396 -1.870 7.777 1.00 0.00 H new ATOM 0 HA ARG A 42 7.332 -4.216 9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.990 -2.287 10.761 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.440 -1.939 10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.489 -4.003 10.946 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.049 -4.467 11.597 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.254 -1.759 12.427 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.082 -2.970 12.906 1.00 0.00 H new ATOM 0 HE ARG A 42 6.609 -2.520 14.135 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.592 -5.174 12.970 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.241 -6.332 14.135 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.437 -4.014 15.631 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.845 -5.679 15.636 1.00 0.00 H new ATOM 626 N ALA A 43 5.655 -5.384 7.782 1.00 0.00 N ATOM 627 CA ALA A 43 4.620 -6.234 7.206 1.00 0.00 C ATOM 628 C ALA A 43 3.425 -5.406 6.745 1.00 0.00 C ATOM 629 O ALA A 43 2.286 -5.874 6.772 1.00 0.00 O ATOM 630 CB ALA A 43 4.180 -7.285 8.215 1.00 0.00 C ATOM 0 H ALA A 43 6.608 -5.677 7.567 1.00 0.00 H new ATOM 0 HA ALA A 43 5.039 -6.736 6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.407 -7.913 7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.034 -7.902 8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.783 -6.793 9.103 1.00 0.00 H new ATOM 636 N PHE A 44 3.691 -4.175 6.324 1.00 0.00 N ATOM 637 CA PHE A 44 2.637 -3.281 5.859 1.00 0.00 C ATOM 638 C PHE A 44 3.163 -2.330 4.788 1.00 0.00 C ATOM 639 O PHE A 44 4.326 -1.928 4.816 1.00 0.00 O ATOM 640 CB PHE A 44 2.063 -2.481 7.030 1.00 0.00 C ATOM 641 CG PHE A 44 2.695 -1.130 7.200 1.00 0.00 C ATOM 642 CD1 PHE A 44 3.930 -1.001 7.816 1.00 0.00 C ATOM 643 CD2 PHE A 44 2.055 0.011 6.745 1.00 0.00 C ATOM 644 CE1 PHE A 44 4.516 0.241 7.974 1.00 0.00 C ATOM 645 CE2 PHE A 44 2.636 1.256 6.900 1.00 0.00 C ATOM 646 CZ PHE A 44 3.867 1.372 7.516 1.00 0.00 C ATOM 0 H PHE A 44 4.628 -3.773 6.295 1.00 0.00 H new ATOM 0 HA PHE A 44 1.846 -3.890 5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.990 -2.355 6.883 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.194 -3.053 7.949 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.441 -1.882 8.177 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.092 -0.073 6.264 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.479 0.327 8.455 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.127 2.138 6.539 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.321 2.344 7.639 1.00 0.00 H new ATOM 656 N ALA A 45 2.298 -1.974 3.844 1.00 0.00 N ATOM 657 CA ALA A 45 2.673 -1.069 2.765 1.00 0.00 C ATOM 658 C ALA A 45 1.576 -0.043 2.501 1.00 0.00 C ATOM 659 O ALA A 45 0.435 -0.218 2.926 1.00 0.00 O ATOM 660 CB ALA A 45 2.978 -1.856 1.498 1.00 0.00 C ATOM 0 H ALA A 45 1.332 -2.299 3.805 1.00 0.00 H new ATOM 0 HA ALA A 45 3.570 -0.531 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.257 -1.168 0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.801 -2.545 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.095 -2.420 1.198 1.00 0.00 H new ATOM 666 N PHE A 46 1.931 1.027 1.798 1.00 0.00 N ATOM 667 CA PHE A 46 0.976 2.082 1.478 1.00 0.00 C ATOM 668 C PHE A 46 0.692 2.123 -0.020 1.00 0.00 C ATOM 669 O PHE A 46 1.611 2.141 -0.837 1.00 0.00 O ATOM 670 CB PHE A 46 1.508 3.439 1.945 1.00 0.00 C ATOM 671 CG PHE A 46 0.551 4.571 1.710 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.460 4.842 2.619 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.660 5.364 0.579 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.342 5.885 2.405 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.219 6.408 0.360 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.222 6.668 1.274 1.00 0.00 C ATOM 0 H PHE A 46 2.872 1.187 1.439 1.00 0.00 H new ATOM 0 HA PHE A 46 0.044 1.865 2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.738 3.383 3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.443 3.651 1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.560 4.232 3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.441 5.164 -0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.124 6.087 3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.122 7.020 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.911 7.482 1.104 1.00 0.00 H new ATOM 686 N VAL A 47 -0.590 2.137 -0.373 1.00 0.00 N ATOM 687 CA VAL A 47 -0.998 2.176 -1.772 1.00 0.00 C ATOM 688 C VAL A 47 -1.989 3.307 -2.024 1.00 0.00 C ATOM 689 O VAL A 47 -2.926 3.511 -1.251 1.00 0.00 O ATOM 690 CB VAL A 47 -1.634 0.844 -2.209 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.094 0.921 -3.657 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.654 -0.304 -2.013 1.00 0.00 C ATOM 0 H VAL A 47 -1.364 2.122 0.291 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.096 2.349 -2.360 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.508 0.657 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.541 -0.030 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.832 1.716 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.239 1.132 -4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.120 -1.238 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.240 -0.126 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.379 -0.372 -0.960 1.00 0.00 H new ATOM 702 N THR A 48 -1.776 4.042 -3.112 1.00 0.00 N ATOM 703 CA THR A 48 -2.649 5.154 -3.467 1.00 0.00 C ATOM 704 C THR A 48 -3.523 4.805 -4.666 1.00 0.00 C ATOM 705 O THR A 48 -3.048 4.234 -5.648 1.00 0.00 O ATOM 706 CB THR A 48 -1.840 6.424 -3.789 1.00 0.00 C ATOM 707 OG1 THR A 48 -0.787 6.589 -2.832 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.737 7.652 -3.782 1.00 0.00 C ATOM 0 H THR A 48 -1.006 3.887 -3.762 1.00 0.00 H new ATOM 0 HA THR A 48 -3.283 5.346 -2.601 1.00 0.00 H new ATOM 0 HB THR A 48 -1.411 6.313 -4.785 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.101 6.307 -1.948 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.144 8.537 -4.012 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.520 7.535 -4.531 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.191 7.765 -2.798 1.00 0.00 H new ATOM 716 N PHE A 49 -4.804 5.151 -4.580 1.00 0.00 N ATOM 717 CA PHE A 49 -5.745 4.874 -5.659 1.00 0.00 C ATOM 718 C PHE A 49 -6.181 6.165 -6.345 1.00 0.00 C ATOM 719 O PHE A 49 -6.122 7.244 -5.756 1.00 0.00 O ATOM 720 CB PHE A 49 -6.969 4.132 -5.118 1.00 0.00 C ATOM 721 CG PHE A 49 -6.787 2.641 -5.057 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.581 1.908 -6.214 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.823 1.975 -3.843 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.415 0.536 -6.161 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.656 0.605 -3.783 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.451 -0.115 -4.943 1.00 0.00 C ATOM 0 H PHE A 49 -5.214 5.624 -3.774 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.242 4.245 -6.394 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.197 4.504 -4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.830 4.360 -5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.550 2.413 -7.168 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.984 2.533 -2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.258 -0.025 -7.070 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.686 0.098 -2.830 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.319 -1.186 -4.898 1.00 0.00 H new ATOM 736 N ALA A 50 -6.619 6.045 -7.593 1.00 0.00 N ATOM 737 CA ALA A 50 -7.067 7.201 -8.361 1.00 0.00 C ATOM 738 C ALA A 50 -8.430 7.686 -7.878 1.00 0.00 C ATOM 739 O ALA A 50 -8.768 8.861 -8.020 1.00 0.00 O ATOM 740 CB ALA A 50 -7.119 6.863 -9.843 1.00 0.00 C ATOM 0 H ALA A 50 -6.674 5.159 -8.095 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.349 8.007 -8.209 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.455 7.735 -10.404 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.126 6.572 -10.185 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.814 6.039 -10.004 1.00 0.00 H new ATOM 746 N ASP A 51 -9.209 6.773 -7.307 1.00 0.00 N ATOM 747 CA ASP A 51 -10.535 7.107 -6.803 1.00 0.00 C ATOM 748 C ASP A 51 -10.667 6.736 -5.329 1.00 0.00 C ATOM 749 O ASP A 51 -10.469 5.582 -4.949 1.00 0.00 O ATOM 750 CB ASP A 51 -11.610 6.389 -7.620 1.00 0.00 C ATOM 751 CG ASP A 51 -12.591 7.352 -8.261 1.00 0.00 C ATOM 752 OD1 ASP A 51 -13.542 7.776 -7.573 1.00 0.00 O ATOM 753 OD2 ASP A 51 -12.406 7.682 -9.452 1.00 0.00 O ATOM 0 H ASP A 51 -8.944 5.796 -7.182 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.673 8.184 -6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.133 5.791 -8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.153 5.699 -6.974 1.00 0.00 H new ATOM 758 N ASP A 52 -10.998 7.723 -4.504 1.00 0.00 N ATOM 759 CA ASP A 52 -11.156 7.500 -3.071 1.00 0.00 C ATOM 760 C ASP A 52 -12.268 6.493 -2.796 1.00 0.00 C ATOM 761 O ASP A 52 -12.297 5.860 -1.740 1.00 0.00 O ATOM 762 CB ASP A 52 -11.458 8.820 -2.358 1.00 0.00 C ATOM 763 CG ASP A 52 -12.635 9.552 -2.971 1.00 0.00 C ATOM 764 OD1 ASP A 52 -13.780 9.303 -2.535 1.00 0.00 O ATOM 765 OD2 ASP A 52 -12.414 10.373 -3.883 1.00 0.00 O ATOM 0 H ASP A 52 -11.162 8.685 -4.802 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.220 7.094 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.664 8.623 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.576 9.460 -2.395 1.00 0.00 H new ATOM 770 N GLN A 53 -13.180 6.351 -3.752 1.00 0.00 N ATOM 771 CA GLN A 53 -14.295 5.422 -3.611 1.00 0.00 C ATOM 772 C GLN A 53 -13.818 3.978 -3.728 1.00 0.00 C ATOM 773 O GLN A 53 -14.520 3.048 -3.329 1.00 0.00 O ATOM 774 CB GLN A 53 -15.361 5.707 -4.670 1.00 0.00 C ATOM 775 CG GLN A 53 -16.104 7.014 -4.449 1.00 0.00 C ATOM 776 CD GLN A 53 -17.600 6.877 -4.651 1.00 0.00 C ATOM 777 OE1 GLN A 53 -18.381 7.007 -3.708 1.00 0.00 O ATOM 778 NE2 GLN A 53 -18.009 6.613 -5.887 1.00 0.00 N ATOM 0 H GLN A 53 -13.169 6.867 -4.632 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.730 5.563 -2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.889 5.729 -5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -16.080 4.887 -4.680 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.909 7.372 -3.438 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.716 7.768 -5.134 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -17.327 6.513 -6.639 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -19.005 6.510 -6.084 1.00 0.00 H new ATOM 787 N ILE A 54 -12.622 3.797 -4.278 1.00 0.00 N ATOM 788 CA ILE A 54 -12.053 2.466 -4.448 1.00 0.00 C ATOM 789 C ILE A 54 -11.385 1.987 -3.163 1.00 0.00 C ATOM 790 O ILE A 54 -11.664 0.892 -2.678 1.00 0.00 O ATOM 791 CB ILE A 54 -11.022 2.437 -5.591 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.652 2.946 -6.889 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.477 1.028 -5.777 1.00 0.00 C ATOM 794 CD1 ILE A 54 -12.415 1.883 -7.648 1.00 0.00 C ATOM 0 H ILE A 54 -12.028 4.556 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.878 1.798 -4.697 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.193 3.095 -5.330 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.327 3.770 -6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.868 3.347 -7.531 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.749 1.024 -6.589 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.995 0.700 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.296 0.350 -6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.834 2.315 -8.557 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.740 1.069 -7.911 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.221 1.498 -7.024 1.00 0.00 H new ATOM 806 N ALA A 55 -10.503 2.817 -2.617 1.00 0.00 N ATOM 807 CA ALA A 55 -9.798 2.480 -1.386 1.00 0.00 C ATOM 808 C ALA A 55 -10.776 2.137 -0.268 1.00 0.00 C ATOM 809 O ALA A 55 -10.650 1.101 0.383 1.00 0.00 O ATOM 810 CB ALA A 55 -8.894 3.629 -0.964 1.00 0.00 C ATOM 0 H ALA A 55 -10.259 3.727 -3.007 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.184 1.600 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.374 3.364 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.164 3.825 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.495 4.522 -0.796 1.00 0.00 H new ATOM 816 N GLN A 56 -11.752 3.014 -0.053 1.00 0.00 N ATOM 817 CA GLN A 56 -12.751 2.803 0.988 1.00 0.00 C ATOM 818 C GLN A 56 -13.543 1.524 0.731 1.00 0.00 C ATOM 819 O GLN A 56 -13.647 0.662 1.603 1.00 0.00 O ATOM 820 CB GLN A 56 -13.702 3.999 1.061 1.00 0.00 C ATOM 821 CG GLN A 56 -13.391 4.955 2.202 1.00 0.00 C ATOM 822 CD GLN A 56 -14.628 5.358 2.979 1.00 0.00 C ATOM 823 OE1 GLN A 56 -15.730 4.884 2.704 1.00 0.00 O ATOM 824 NE2 GLN A 56 -14.451 6.237 3.959 1.00 0.00 N ATOM 0 H GLN A 56 -11.872 3.876 -0.585 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.231 2.702 1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.659 4.545 0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.723 3.634 1.172 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.678 4.486 2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.911 5.848 1.802 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.519 6.604 4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.247 6.545 4.518 1.00 0.00 H new ATOM 833 N SER A 57 -14.099 1.410 -0.471 1.00 0.00 N ATOM 834 CA SER A 57 -14.886 0.239 -0.840 1.00 0.00 C ATOM 835 C SER A 57 -14.081 -1.042 -0.637 1.00 0.00 C ATOM 836 O SER A 57 -14.645 -2.117 -0.436 1.00 0.00 O ATOM 837 CB SER A 57 -15.340 0.343 -2.298 1.00 0.00 C ATOM 838 OG SER A 57 -16.393 1.281 -2.437 1.00 0.00 O ATOM 0 H SER A 57 -14.019 2.113 -1.205 1.00 0.00 H new ATOM 0 HA SER A 57 -15.764 0.203 -0.195 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.499 0.640 -2.924 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.670 -0.634 -2.650 1.00 0.00 H new ATOM 0 HG SER A 57 -16.034 2.128 -2.775 1.00 0.00 H new ATOM 844 N LEU A 58 -12.759 -0.917 -0.691 1.00 0.00 N ATOM 845 CA LEU A 58 -11.875 -2.063 -0.512 1.00 0.00 C ATOM 846 C LEU A 58 -11.630 -2.337 0.968 1.00 0.00 C ATOM 847 O LEU A 58 -11.429 -3.484 1.372 1.00 0.00 O ATOM 848 CB LEU A 58 -10.542 -1.820 -1.224 1.00 0.00 C ATOM 849 CG LEU A 58 -10.381 -2.485 -2.592 1.00 0.00 C ATOM 850 CD1 LEU A 58 -9.102 -2.014 -3.267 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.387 -4.000 -2.453 1.00 0.00 C ATOM 0 H LEU A 58 -12.276 -0.034 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.360 -2.936 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.409 -0.745 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.738 -2.169 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.225 -2.195 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.004 -2.498 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.138 -0.933 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.245 -2.273 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.271 -4.456 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.563 -4.310 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.331 -4.321 -2.013 1.00 0.00 H new ATOM 863 N CYS A 59 -11.652 -1.280 1.772 1.00 0.00 N ATOM 864 CA CYS A 59 -11.434 -1.407 3.208 1.00 0.00 C ATOM 865 C CYS A 59 -12.342 -2.478 3.803 1.00 0.00 C ATOM 866 O CYS A 59 -13.561 -2.438 3.633 1.00 0.00 O ATOM 867 CB CYS A 59 -11.682 -0.068 3.903 1.00 0.00 C ATOM 868 SG CYS A 59 -11.812 -0.182 5.702 1.00 0.00 S ATOM 0 H CYS A 59 -11.819 -0.325 1.454 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.398 -1.705 3.368 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.871 0.615 3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.600 0.368 3.510 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.020 1.002 6.198 1.00 0.00 H new ATOM 874 N GLY A 60 -11.741 -3.437 4.501 1.00 0.00 N ATOM 875 CA GLY A 60 -12.511 -4.506 5.110 1.00 0.00 C ATOM 876 C GLY A 60 -12.557 -5.751 4.246 1.00 0.00 C ATOM 877 O GLY A 60 -13.027 -6.799 4.684 1.00 0.00 O ATOM 0 H GLY A 60 -10.734 -3.493 4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.078 -4.755 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.527 -4.158 5.295 1.00 0.00 H new ATOM 881 N GLU A 61 -12.069 -5.633 3.014 1.00 0.00 N ATOM 882 CA GLU A 61 -12.059 -6.758 2.087 1.00 0.00 C ATOM 883 C GLU A 61 -10.758 -7.547 2.202 1.00 0.00 C ATOM 884 O GLU A 61 -9.669 -6.974 2.187 1.00 0.00 O ATOM 885 CB GLU A 61 -12.245 -6.266 0.651 1.00 0.00 C ATOM 886 CG GLU A 61 -13.596 -5.617 0.399 1.00 0.00 C ATOM 887 CD GLU A 61 -14.688 -6.633 0.123 1.00 0.00 C ATOM 888 OE1 GLU A 61 -15.078 -7.355 1.064 1.00 0.00 O ATOM 889 OE2 GLU A 61 -15.151 -6.704 -1.035 1.00 0.00 O ATOM 0 H GLU A 61 -11.676 -4.771 2.636 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.887 -7.417 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.458 -5.549 0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.123 -7.108 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.874 -5.017 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.516 -4.936 -0.448 1.00 0.00 H new ATOM 896 N ASP A 62 -10.880 -8.865 2.317 1.00 0.00 N ATOM 897 CA ASP A 62 -9.715 -9.734 2.435 1.00 0.00 C ATOM 898 C ASP A 62 -9.269 -10.233 1.063 1.00 0.00 C ATOM 899 O ASP A 62 -9.985 -10.988 0.404 1.00 0.00 O ATOM 900 CB ASP A 62 -10.027 -10.921 3.347 1.00 0.00 C ATOM 901 CG ASP A 62 -10.995 -10.560 4.456 1.00 0.00 C ATOM 902 OD1 ASP A 62 -12.204 -10.434 4.172 1.00 0.00 O ATOM 903 OD2 ASP A 62 -10.543 -10.403 5.610 1.00 0.00 O ATOM 0 H ASP A 62 -11.774 -9.355 2.331 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.903 -9.154 2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.447 -11.732 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.100 -11.293 3.784 1.00 0.00 H new ATOM 908 N LEU A 63 -8.085 -9.806 0.640 1.00 0.00 N ATOM 909 CA LEU A 63 -7.545 -10.208 -0.653 1.00 0.00 C ATOM 910 C LEU A 63 -6.357 -11.149 -0.478 1.00 0.00 C ATOM 911 O LEU A 63 -5.624 -11.063 0.509 1.00 0.00 O ATOM 912 CB LEU A 63 -7.121 -8.978 -1.457 1.00 0.00 C ATOM 913 CG LEU A 63 -8.050 -7.768 -1.372 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.417 -6.559 -2.042 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.398 -8.085 -2.004 1.00 0.00 C ATOM 0 H LEU A 63 -7.481 -9.181 1.174 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.328 -10.737 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.129 -8.674 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.029 -9.267 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.210 -7.531 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.094 -5.708 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.477 -6.318 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.225 -6.783 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.047 -7.212 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.256 -8.349 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.858 -8.922 -1.479 1.00 0.00 H new ATOM 927 N ILE A 64 -6.171 -12.046 -1.441 1.00 0.00 N ATOM 928 CA ILE A 64 -5.069 -13.000 -1.394 1.00 0.00 C ATOM 929 C ILE A 64 -3.979 -12.630 -2.394 1.00 0.00 C ATOM 930 O ILE A 64 -4.246 -12.457 -3.583 1.00 0.00 O ATOM 931 CB ILE A 64 -5.554 -14.432 -1.686 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.839 -14.727 -0.911 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.471 -15.440 -1.329 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.600 -15.146 0.523 1.00 0.00 C ATOM 0 H ILE A 64 -6.769 -12.132 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.660 -12.962 -0.384 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.767 -14.518 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.471 -13.839 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.390 -15.516 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.828 -16.448 -1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.578 -15.240 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.230 -15.355 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.556 -15.339 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.994 -16.052 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.077 -14.350 1.052 1.00 0.00 H new ATOM 946 N ILE A 65 -2.749 -12.513 -1.903 1.00 0.00 N ATOM 947 CA ILE A 65 -1.617 -12.167 -2.754 1.00 0.00 C ATOM 948 C ILE A 65 -0.508 -13.208 -2.642 1.00 0.00 C ATOM 949 O ILE A 65 0.165 -13.306 -1.616 1.00 0.00 O ATOM 950 CB ILE A 65 -1.047 -10.783 -2.396 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.046 -9.684 -2.760 1.00 0.00 C ATOM 952 CG2 ILE A 65 0.280 -10.557 -3.106 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.772 -8.365 -2.074 1.00 0.00 C ATOM 0 H ILE A 65 -2.512 -12.653 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.987 -12.143 -3.779 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.873 -10.746 -1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.030 -9.533 -3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.051 -10.017 -2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.671 -9.574 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.992 -11.324 -2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.130 -10.611 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.520 -7.634 -2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.817 -8.501 -0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.781 -8.009 -2.354 1.00 0.00 H new ATOM 965 N LYS A 66 -0.321 -13.981 -3.706 1.00 0.00 N ATOM 966 CA LYS A 66 0.710 -15.013 -3.730 1.00 0.00 C ATOM 967 C LYS A 66 0.359 -16.153 -2.781 1.00 0.00 C ATOM 968 O LYS A 66 1.119 -17.110 -2.638 1.00 0.00 O ATOM 969 CB LYS A 66 2.066 -14.416 -3.350 1.00 0.00 C ATOM 970 CG LYS A 66 2.408 -13.146 -4.110 1.00 0.00 C ATOM 971 CD LYS A 66 3.901 -12.870 -4.093 1.00 0.00 C ATOM 972 CE LYS A 66 4.692 -14.049 -4.638 1.00 0.00 C ATOM 973 NZ LYS A 66 5.820 -13.608 -5.505 1.00 0.00 N ATOM 0 H LYS A 66 -0.870 -13.913 -4.563 1.00 0.00 H new ATOM 0 HA LYS A 66 0.768 -15.412 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.072 -14.202 -2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.844 -15.158 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.065 -13.235 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.876 -12.303 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.115 -11.981 -4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.221 -12.656 -3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.081 -14.640 -3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.028 -14.699 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.929 -14.272 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.622 -12.657 -5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.698 -13.586 -4.948 1.00 0.00 H new ATOM 987 N GLY A 67 -0.797 -16.046 -2.134 1.00 0.00 N ATOM 988 CA GLY A 67 -1.227 -17.076 -1.207 1.00 0.00 C ATOM 989 C GLY A 67 -1.667 -16.508 0.128 1.00 0.00 C ATOM 990 O GLY A 67 -2.649 -16.967 0.712 1.00 0.00 O ATOM 0 H GLY A 67 -1.444 -15.264 -2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.050 -17.637 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.411 -17.780 -1.047 1.00 0.00 H new ATOM 994 N ILE A 68 -0.937 -15.510 0.613 1.00 0.00 N ATOM 995 CA ILE A 68 -1.257 -14.880 1.889 1.00 0.00 C ATOM 996 C ILE A 68 -2.444 -13.933 1.751 1.00 0.00 C ATOM 997 O ILE A 68 -2.762 -13.474 0.653 1.00 0.00 O ATOM 998 CB ILE A 68 -0.053 -14.099 2.449 1.00 0.00 C ATOM 999 CG1 ILE A 68 0.208 -12.848 1.607 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.182 -14.986 2.485 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.664 -11.671 1.988 1.00 0.00 C ATOM 0 H ILE A 68 -0.120 -15.120 0.143 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.513 -15.681 2.582 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.283 -13.787 3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.255 -12.563 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.044 -13.086 0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.025 -14.421 2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.991 -15.850 3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.416 -15.324 1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.425 -10.820 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.713 -11.938 1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.483 -11.406 3.030 1.00 0.00 H new ATOM 1013 N SER A 69 -3.095 -13.642 2.873 1.00 0.00 N ATOM 1014 CA SER A 69 -4.248 -12.750 2.878 1.00 0.00 C ATOM 1015 C SER A 69 -3.905 -11.421 3.542 1.00 0.00 C ATOM 1016 O SER A 69 -3.186 -11.381 4.541 1.00 0.00 O ATOM 1017 CB SER A 69 -5.425 -13.407 3.604 1.00 0.00 C ATOM 1018 OG SER A 69 -6.539 -12.533 3.664 1.00 0.00 O ATOM 0 H SER A 69 -2.843 -14.011 3.790 1.00 0.00 H new ATOM 0 HA SER A 69 -4.530 -12.557 1.843 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.707 -14.326 3.089 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.123 -13.687 4.613 1.00 0.00 H new ATOM 0 HG SER A 69 -7.278 -12.976 4.131 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.424 -10.333 2.981 1.00 0.00 N ATOM 1025 CA VAL A 70 -4.173 -9.001 3.519 1.00 0.00 C ATOM 1026 C VAL A 70 -5.476 -8.315 3.916 1.00 0.00 C ATOM 1027 O VAL A 70 -6.544 -8.641 3.398 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.429 -8.116 2.500 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -2.154 -8.798 2.030 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.333 -7.786 1.322 1.00 0.00 C ATOM 0 H VAL A 70 -5.021 -10.348 2.154 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.548 -9.128 4.403 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.153 -7.182 2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.643 -8.158 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.501 -8.978 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.403 -9.748 1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.792 -7.160 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.642 -8.709 0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.214 -7.252 1.678 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.378 -7.364 4.839 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.550 -6.630 5.306 1.00 0.00 C ATOM 1042 C HIS A 71 -6.453 -5.155 4.928 1.00 0.00 C ATOM 1043 O HIS A 71 -5.633 -4.417 5.475 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.695 -6.772 6.822 1.00 0.00 C ATOM 1045 CG HIS A 71 -7.730 -5.864 7.411 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -9.046 -6.237 7.590 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -7.637 -4.593 7.865 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -9.717 -5.235 8.127 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -8.885 -4.224 8.305 1.00 0.00 N ATOM 0 H HIS A 71 -4.501 -7.083 5.278 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.431 -7.053 4.823 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.952 -7.804 7.059 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.733 -6.567 7.292 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -9.439 -7.146 7.345 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.747 -3.982 7.879 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.767 -5.241 8.378 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.294 -4.732 3.990 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.303 -3.346 3.541 1.00 0.00 C ATOM 1059 C ILE A 72 -7.991 -2.442 4.558 1.00 0.00 C ATOM 1060 O ILE A 72 -9.130 -2.692 4.954 1.00 0.00 O ATOM 1061 CB ILE A 72 -8.009 -3.200 2.180 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.559 -4.308 1.226 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.728 -1.830 1.582 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -6.108 -4.198 0.816 1.00 0.00 C ATOM 0 H ILE A 72 -7.978 -5.330 3.526 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.262 -3.042 3.436 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.084 -3.294 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.721 -5.275 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.184 -4.284 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.234 -1.742 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.094 -1.056 2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.654 -1.708 1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.858 -5.016 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.944 -3.246 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.475 -4.253 1.701 1.00 0.00 H new ATOM 1076 N SER A 73 -7.293 -1.392 4.976 1.00 0.00 N ATOM 1077 CA SER A 73 -7.836 -0.451 5.949 1.00 0.00 C ATOM 1078 C SER A 73 -7.358 0.968 5.658 1.00 0.00 C ATOM 1079 O SER A 73 -6.174 1.200 5.420 1.00 0.00 O ATOM 1080 CB SER A 73 -7.426 -0.858 7.367 1.00 0.00 C ATOM 1081 OG SER A 73 -8.526 -0.782 8.256 1.00 0.00 O ATOM 0 H SER A 73 -6.350 -1.171 4.656 1.00 0.00 H new ATOM 0 HA SER A 73 -8.923 -0.473 5.871 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.031 -1.874 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.625 -0.208 7.718 1.00 0.00 H new ATOM 0 HG SER A 73 -8.861 -1.684 8.440 1.00 0.00 H new ATOM 1087 N ASN A 74 -8.291 1.915 5.678 1.00 0.00 N ATOM 1088 CA ASN A 74 -7.967 3.312 5.415 1.00 0.00 C ATOM 1089 C ASN A 74 -7.561 4.028 6.700 1.00 0.00 C ATOM 1090 O ASN A 74 -8.389 4.263 7.580 1.00 0.00 O ATOM 1091 CB ASN A 74 -9.162 4.024 4.778 1.00 0.00 C ATOM 1092 CG ASN A 74 -9.103 5.529 4.957 1.00 0.00 C ATOM 1093 OD1 ASN A 74 -9.942 6.118 5.639 1.00 0.00 O ATOM 1094 ND2 ASN A 74 -8.107 6.158 4.343 1.00 0.00 N ATOM 0 H ASN A 74 -9.277 1.740 5.874 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.125 3.339 4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.196 3.789 3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.084 3.645 5.218 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.015 7.170 4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.435 5.629 3.788 1.00 0.00 H new ATOM 1101 N ALA A 75 -6.281 4.372 6.801 1.00 0.00 N ATOM 1102 CA ALA A 75 -5.766 5.062 7.976 1.00 0.00 C ATOM 1103 C ALA A 75 -4.907 6.258 7.578 1.00 0.00 C ATOM 1104 O ALA A 75 -4.267 6.250 6.527 1.00 0.00 O ATOM 1105 CB ALA A 75 -4.966 4.102 8.844 1.00 0.00 C ATOM 0 H ALA A 75 -5.582 4.184 6.082 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.615 5.432 8.550 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.587 4.631 9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.608 3.282 9.166 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.129 3.704 8.270 1.00 0.00 H new ATOM 1111 N GLU A 76 -4.899 7.283 8.424 1.00 0.00 N ATOM 1112 CA GLU A 76 -4.119 8.486 8.157 1.00 0.00 C ATOM 1113 C GLU A 76 -3.462 9.002 9.434 1.00 0.00 C ATOM 1114 O GLU A 76 -4.043 9.782 10.191 1.00 0.00 O ATOM 1115 CB GLU A 76 -5.011 9.575 7.554 1.00 0.00 C ATOM 1116 CG GLU A 76 -5.576 9.212 6.191 1.00 0.00 C ATOM 1117 CD GLU A 76 -4.647 9.589 5.055 1.00 0.00 C ATOM 1118 OE1 GLU A 76 -4.583 10.788 4.713 1.00 0.00 O ATOM 1119 OE2 GLU A 76 -3.984 8.684 4.506 1.00 0.00 O ATOM 0 H GLU A 76 -5.423 7.305 9.299 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.336 8.230 7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.835 9.778 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.436 10.497 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.770 8.140 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.534 9.714 6.054 1.00 0.00 H new ATOM 1126 N PRO A 77 -2.221 8.557 9.682 1.00 0.00 N ATOM 1127 CA PRO A 77 -1.457 8.960 10.866 1.00 0.00 C ATOM 1128 C PRO A 77 -1.027 10.422 10.808 1.00 0.00 C ATOM 1129 O PRO A 77 -0.829 10.980 9.729 1.00 0.00 O ATOM 1130 CB PRO A 77 -0.233 8.041 10.828 1.00 0.00 C ATOM 1131 CG PRO A 77 -0.077 7.677 9.393 1.00 0.00 C ATOM 1132 CD PRO A 77 -1.468 7.627 8.824 1.00 0.00 C ATOM 0 HA PRO A 77 -2.045 8.872 11.780 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.655 8.548 11.206 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.383 7.156 11.447 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.533 8.412 8.868 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.423 6.714 9.287 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.486 7.939 7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.882 6.619 8.863 1.00 0.00 H new ATOM 1140 N LYS A 78 -0.882 11.038 11.977 1.00 0.00 N ATOM 1141 CA LYS A 78 -0.474 12.435 12.061 1.00 0.00 C ATOM 1142 C LYS A 78 1.034 12.573 11.873 1.00 0.00 C ATOM 1143 O LYS A 78 1.803 11.708 12.293 1.00 0.00 O ATOM 1144 CB LYS A 78 -0.887 13.029 13.410 1.00 0.00 C ATOM 1145 CG LYS A 78 -1.728 14.287 13.289 1.00 0.00 C ATOM 1146 CD LYS A 78 -2.647 14.460 14.486 1.00 0.00 C ATOM 1147 CE LYS A 78 -3.882 15.275 14.127 1.00 0.00 C ATOM 1148 NZ LYS A 78 -4.007 16.493 14.975 1.00 0.00 N ATOM 0 H LYS A 78 -1.041 10.591 12.880 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.974 12.982 11.262 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.447 12.281 13.971 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.009 13.256 13.987 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.075 15.155 13.202 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.322 14.242 12.376 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.951 13.481 14.857 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.106 14.953 15.293 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.833 15.566 13.078 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.772 14.657 14.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.860 17.021 14.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.079 16.214 15.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.169 17.095 14.843 1.00 0.00 H new ATOM 1162 N HIS A 79 1.449 13.666 11.240 1.00 0.00 N ATOM 1163 CA HIS A 79 2.865 13.918 10.999 1.00 0.00 C ATOM 1164 C HIS A 79 3.463 12.839 10.102 1.00 0.00 C ATOM 1165 O HIS A 79 3.155 11.658 10.244 1.00 0.00 O ATOM 1166 CB HIS A 79 3.627 13.977 12.323 1.00 0.00 C ATOM 1167 CG HIS A 79 3.546 15.309 13.003 1.00 0.00 C ATOM 1168 ND1 HIS A 79 3.850 16.496 12.371 1.00 0.00 N ATOM 1169 CD2 HIS A 79 3.190 15.638 14.267 1.00 0.00 C ATOM 1170 CE1 HIS A 79 3.687 17.497 13.217 1.00 0.00 C ATOM 1171 NE2 HIS A 79 3.287 17.003 14.375 1.00 0.00 N ATOM 0 H HIS A 79 0.825 14.391 10.885 1.00 0.00 H new ATOM 0 HA HIS A 79 2.957 14.879 10.493 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.234 13.212 12.993 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.674 13.734 12.141 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.886 14.954 15.046 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.853 18.542 12.999 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.083 17.547 15.213 1.00 0.00 H new ATOM 1179 N ASN A 80 4.321 13.256 9.175 1.00 0.00 N ATOM 1180 CA ASN A 80 4.961 12.325 8.253 1.00 0.00 C ATOM 1181 C ASN A 80 6.334 12.839 7.827 1.00 0.00 C ATOM 1182 O ASN A 80 6.442 13.718 6.973 1.00 0.00 O ATOM 1183 CB ASN A 80 4.080 12.109 7.020 1.00 0.00 C ATOM 1184 CG ASN A 80 3.024 11.046 7.244 1.00 0.00 C ATOM 1185 OD1 ASN A 80 1.831 11.289 7.053 1.00 0.00 O ATOM 1186 ND2 ASN A 80 3.455 9.858 7.653 1.00 0.00 N ATOM 0 H ASN A 80 4.588 14.231 9.043 1.00 0.00 H new ATOM 0 HA ASN A 80 5.092 11.374 8.769 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.595 13.048 6.754 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.706 11.823 6.175 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.789 9.104 7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.452 9.700 7.799 1.00 0.00 H new ATOM 1193 N SER A 81 7.380 12.282 8.430 1.00 0.00 N ATOM 1194 CA SER A 81 8.746 12.685 8.116 1.00 0.00 C ATOM 1195 C SER A 81 9.748 11.665 8.646 1.00 0.00 C ATOM 1196 O SER A 81 9.932 11.528 9.855 1.00 0.00 O ATOM 1197 CB SER A 81 9.042 14.064 8.709 1.00 0.00 C ATOM 1198 OG SER A 81 9.224 15.030 7.689 1.00 0.00 O ATOM 0 H SER A 81 7.308 11.551 9.138 1.00 0.00 H new ATOM 0 HA SER A 81 8.844 12.735 7.032 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.221 14.367 9.359 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.937 14.012 9.329 1.00 0.00 H new ATOM 0 HG SER A 81 9.410 15.903 8.094 1.00 0.00 H new ATOM 1204 N ASN A 82 10.396 10.950 7.731 1.00 0.00 N ATOM 1205 CA ASN A 82 11.380 9.942 8.104 1.00 0.00 C ATOM 1206 C ASN A 82 12.626 10.591 8.700 1.00 0.00 C ATOM 1207 O ASN A 82 12.764 11.814 8.693 1.00 0.00 O ATOM 1208 CB ASN A 82 11.763 9.098 6.888 1.00 0.00 C ATOM 1209 CG ASN A 82 11.237 7.679 6.979 1.00 0.00 C ATOM 1210 OD1 ASN A 82 10.039 7.459 7.164 1.00 0.00 O ATOM 1211 ND2 ASN A 82 12.131 6.706 6.850 1.00 0.00 N ATOM 0 H ASN A 82 10.256 11.051 6.726 1.00 0.00 H new ATOM 0 HA ASN A 82 10.932 9.296 8.859 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.374 9.569 5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.849 9.075 6.793 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.835 5.731 6.903 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.114 6.933 6.698 1.00 0.00 H new ATOM 1218 N SER A 83 13.530 9.764 9.213 1.00 0.00 N ATOM 1219 CA SER A 83 14.764 10.257 9.815 1.00 0.00 C ATOM 1220 C SER A 83 15.601 11.017 8.792 1.00 0.00 C ATOM 1221 O SER A 83 16.041 10.453 7.790 1.00 0.00 O ATOM 1222 CB SER A 83 15.574 9.095 10.393 1.00 0.00 C ATOM 1223 OG SER A 83 15.709 9.217 11.799 1.00 0.00 O ATOM 0 H SER A 83 13.432 8.749 9.224 1.00 0.00 H new ATOM 0 HA SER A 83 14.498 10.941 10.621 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.085 8.151 10.152 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.561 9.070 9.931 1.00 0.00 H new ATOM 0 HG SER A 83 16.229 8.462 12.144 1.00 0.00 H new ATOM 1229 N GLY A 84 15.817 12.304 9.051 1.00 0.00 N ATOM 1230 CA GLY A 84 16.601 13.122 8.145 1.00 0.00 C ATOM 1231 C GLY A 84 17.571 14.031 8.875 1.00 0.00 C ATOM 1232 O GLY A 84 17.311 14.482 9.991 1.00 0.00 O ATOM 0 H GLY A 84 15.463 12.794 9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.156 12.476 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.931 13.727 7.534 1.00 0.00 H new ATOM 1236 N PRO A 85 18.718 14.311 8.240 1.00 0.00 N ATOM 1237 CA PRO A 85 19.753 15.174 8.819 1.00 0.00 C ATOM 1238 C PRO A 85 19.319 16.634 8.885 1.00 0.00 C ATOM 1239 O PRO A 85 19.492 17.387 7.927 1.00 0.00 O ATOM 1240 CB PRO A 85 20.931 15.009 7.855 1.00 0.00 C ATOM 1241 CG PRO A 85 20.309 14.621 6.558 1.00 0.00 C ATOM 1242 CD PRO A 85 19.094 13.808 6.908 1.00 0.00 C ATOM 0 HA PRO A 85 19.985 14.900 9.848 1.00 0.00 H new ATOM 0 HB2 PRO A 85 21.498 15.935 7.761 1.00 0.00 H new ATOM 0 HB3 PRO A 85 21.625 14.245 8.205 1.00 0.00 H new ATOM 0 HG2 PRO A 85 20.035 15.502 5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 85 21.004 14.042 5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 85 18.292 13.951 6.183 1.00 0.00 H new ATOM 0 HD3 PRO A 85 19.317 12.741 6.930 1.00 0.00 H new ATOM 1250 N SER A 86 18.756 17.028 10.022 1.00 0.00 N ATOM 1251 CA SER A 86 18.295 18.397 10.213 1.00 0.00 C ATOM 1252 C SER A 86 18.612 18.887 11.622 1.00 0.00 C ATOM 1253 O SER A 86 18.058 18.391 12.603 1.00 0.00 O ATOM 1254 CB SER A 86 16.789 18.492 9.955 1.00 0.00 C ATOM 1255 OG SER A 86 16.506 18.457 8.567 1.00 0.00 O ATOM 0 H SER A 86 18.608 16.418 10.826 1.00 0.00 H new ATOM 0 HA SER A 86 18.820 19.032 9.500 1.00 0.00 H new ATOM 0 HB2 SER A 86 16.279 17.668 10.454 1.00 0.00 H new ATOM 0 HB3 SER A 86 16.401 19.415 10.385 1.00 0.00 H new ATOM 0 HG SER A 86 15.538 18.517 8.429 1.00 0.00 H new ATOM 1261 N SER A 87 19.508 19.864 11.716 1.00 0.00 N ATOM 1262 CA SER A 87 19.904 20.419 13.004 1.00 0.00 C ATOM 1263 C SER A 87 20.445 21.836 12.843 1.00 0.00 C ATOM 1264 O SER A 87 20.050 22.750 13.567 1.00 0.00 O ATOM 1265 CB SER A 87 20.960 19.530 13.664 1.00 0.00 C ATOM 1266 OG SER A 87 21.524 20.164 14.799 1.00 0.00 O ATOM 0 H SER A 87 19.974 20.288 10.914 1.00 0.00 H new ATOM 0 HA SER A 87 19.021 20.457 13.642 1.00 0.00 H new ATOM 0 HB2 SER A 87 20.509 18.583 13.959 1.00 0.00 H new ATOM 0 HB3 SER A 87 21.746 19.299 12.945 1.00 0.00 H new ATOM 0 HG SER A 87 22.195 19.575 15.203 1.00 0.00 H new ATOM 1272 N GLY A 88 21.353 22.011 11.887 1.00 0.00 N ATOM 1273 CA GLY A 88 21.935 23.319 11.647 1.00 0.00 C ATOM 1274 C GLY A 88 22.655 23.398 10.315 1.00 0.00 C ATOM 1275 O GLY A 88 22.747 22.406 9.592 1.00 0.00 O ATOM 0 H GLY A 88 21.696 21.271 11.275 1.00 0.00 H new ATOM 0 HA2 GLY A 88 21.149 24.074 11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 88 22.634 23.555 12.449 1.00 0.00 H new TER 1279 GLY A 88