USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=21 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 HD1:sc= -1.11 K(o=-1.1,f=-0.25) USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 13 CYS SG : rot -67:sc= 0.104 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= -0.612 USER MOD Set 2.3: A 17 MET CE :methyl -146:sc= -0.341 (180deg=-1.82!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 67:sc= 1.24 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0971 USER MOD Single : A 27 SER OG : rot -94:sc= 0.0338 USER MOD Single : A 28 GLN : amide:sc= 0.735 K(o=0.73,f=0) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.77 USER MOD Single : A 33 MET CE :methyl 143:sc= -2.81! (180deg=-8.03!) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= -0.0199 (180deg=-0.205) USER MOD Single : A 48 THR OG1 : rot -25:sc= 0.405 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= -0.66 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 74 ASN : amide:sc= 0.00167 X(o=0.0017,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.13) USER MOD Single : A 80 ASN : amide:sc= -0.449 K(o=-0.45,f=-3.2!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.16) 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 -11.808 21.040 5.192 1.00 0.00 N ATOM 2 CA GLY A 1 -12.655 20.456 4.169 1.00 0.00 C ATOM 3 C GLY A 1 -12.019 19.250 3.507 1.00 0.00 C ATOM 4 O GLY A 1 -11.854 19.218 2.288 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.288 21.861 5.614 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.618 20.333 5.931 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.910 21.346 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.606 20.163 4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.875 21.208 3.411 1.00 0.00 H new ATOM 8 N SER A 2 -11.656 18.256 4.312 1.00 0.00 N ATOM 9 CA SER A 2 -11.028 17.045 3.798 1.00 0.00 C ATOM 10 C SER A 2 -11.503 15.818 4.570 1.00 0.00 C ATOM 11 O SER A 2 -11.616 15.847 5.795 1.00 0.00 O ATOM 12 CB SER A 2 -9.505 17.160 3.885 1.00 0.00 C ATOM 13 OG SER A 2 -8.876 16.012 3.341 1.00 0.00 O ATOM 0 H SER A 2 -11.786 18.266 5.324 1.00 0.00 H new ATOM 0 HA SER A 2 -11.317 16.929 2.753 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.173 18.049 3.349 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.205 17.284 4.926 1.00 0.00 H new ATOM 0 HG SER A 2 -7.903 16.110 3.407 1.00 0.00 H new ATOM 19 N SER A 3 -11.777 14.739 3.843 1.00 0.00 N ATOM 20 CA SER A 3 -12.243 13.502 4.457 1.00 0.00 C ATOM 21 C SER A 3 -12.465 12.421 3.403 1.00 0.00 C ATOM 22 O SER A 3 -13.310 12.565 2.520 1.00 0.00 O ATOM 23 CB SER A 3 -13.539 13.748 5.232 1.00 0.00 C ATOM 24 OG SER A 3 -13.272 14.034 6.594 1.00 0.00 O ATOM 0 H SER A 3 -11.684 14.697 2.828 1.00 0.00 H new ATOM 0 HA SER A 3 -11.474 13.158 5.149 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.083 14.579 4.783 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.181 12.870 5.161 1.00 0.00 H new ATOM 0 HG SER A 3 -12.807 14.894 6.663 1.00 0.00 H new ATOM 30 N GLY A 4 -11.699 11.339 3.502 1.00 0.00 N ATOM 31 CA GLY A 4 -11.826 10.250 2.552 1.00 0.00 C ATOM 32 C GLY A 4 -10.606 10.110 1.664 1.00 0.00 C ATOM 33 O GLY A 4 -10.727 9.957 0.449 1.00 0.00 O ATOM 0 H GLY A 4 -10.992 11.197 4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.987 9.317 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.707 10.415 1.931 1.00 0.00 H new ATOM 37 N SER A 5 -9.424 10.163 2.272 1.00 0.00 N ATOM 38 CA SER A 5 -8.176 10.045 1.528 1.00 0.00 C ATOM 39 C SER A 5 -8.172 8.786 0.668 1.00 0.00 C ATOM 40 O SER A 5 -8.828 7.795 0.995 1.00 0.00 O ATOM 41 CB SER A 5 -6.985 10.024 2.489 1.00 0.00 C ATOM 42 OG SER A 5 -5.778 10.328 1.811 1.00 0.00 O ATOM 0 H SER A 5 -9.305 10.287 3.277 1.00 0.00 H new ATOM 0 HA SER A 5 -8.090 10.911 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.147 10.745 3.290 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.907 9.042 2.955 1.00 0.00 H new ATOM 0 HG SER A 5 -5.032 10.310 2.447 1.00 0.00 H new ATOM 48 N SER A 6 -7.429 8.830 -0.433 1.00 0.00 N ATOM 49 CA SER A 6 -7.342 7.694 -1.343 1.00 0.00 C ATOM 50 C SER A 6 -6.138 6.819 -1.006 1.00 0.00 C ATOM 51 O SER A 6 -5.513 6.237 -1.892 1.00 0.00 O ATOM 52 CB SER A 6 -7.245 8.180 -2.791 1.00 0.00 C ATOM 53 OG SER A 6 -6.197 9.122 -2.944 1.00 0.00 O ATOM 0 H SER A 6 -6.878 9.640 -0.717 1.00 0.00 H new ATOM 0 HA SER A 6 -8.247 7.097 -1.228 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.074 7.331 -3.452 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.191 8.632 -3.090 1.00 0.00 H new ATOM 0 HG SER A 6 -6.155 9.416 -3.878 1.00 0.00 H new ATOM 59 N GLY A 7 -5.818 6.732 0.281 1.00 0.00 N ATOM 60 CA GLY A 7 -4.691 5.928 0.713 1.00 0.00 C ATOM 61 C GLY A 7 -5.072 4.924 1.784 1.00 0.00 C ATOM 62 O GLY A 7 -5.649 5.288 2.808 1.00 0.00 O ATOM 0 H GLY A 7 -6.320 7.205 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.276 5.399 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.907 6.582 1.095 1.00 0.00 H new ATOM 66 N VAL A 8 -4.749 3.656 1.546 1.00 0.00 N ATOM 67 CA VAL A 8 -5.062 2.597 2.499 1.00 0.00 C ATOM 68 C VAL A 8 -3.821 1.778 2.835 1.00 0.00 C ATOM 69 O VAL A 8 -2.914 1.639 2.014 1.00 0.00 O ATOM 70 CB VAL A 8 -6.152 1.656 1.953 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.533 2.249 2.182 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.921 1.375 0.476 1.00 0.00 C ATOM 0 H VAL A 8 -4.271 3.338 0.703 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.430 3.082 3.403 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.096 0.711 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.290 1.570 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.694 2.394 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.606 3.209 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.700 0.708 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.950 2.311 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.947 0.904 0.343 1.00 0.00 H new ATOM 82 N PHE A 9 -3.787 1.238 4.049 1.00 0.00 N ATOM 83 CA PHE A 9 -2.657 0.432 4.495 1.00 0.00 C ATOM 84 C PHE A 9 -2.918 -1.052 4.255 1.00 0.00 C ATOM 85 O PHE A 9 -3.988 -1.566 4.579 1.00 0.00 O ATOM 86 CB PHE A 9 -2.382 0.679 5.980 1.00 0.00 C ATOM 87 CG PHE A 9 -1.671 1.974 6.251 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.343 2.141 5.889 1.00 0.00 C ATOM 89 CD2 PHE A 9 -2.330 3.027 6.866 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.313 3.331 6.137 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.679 4.219 7.118 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.356 4.373 6.751 1.00 0.00 C ATOM 0 H PHE A 9 -4.529 1.344 4.741 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.782 0.727 3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.327 0.673 6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.784 -0.144 6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.185 1.331 5.407 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.365 2.914 7.152 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.348 3.447 5.851 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.204 5.030 7.601 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.154 5.305 6.943 1.00 0.00 H new ATOM 102 N VAL A 10 -1.930 -1.735 3.685 1.00 0.00 N ATOM 103 CA VAL A 10 -2.052 -3.161 3.401 1.00 0.00 C ATOM 104 C VAL A 10 -1.204 -3.987 4.362 1.00 0.00 C ATOM 105 O VAL A 10 -0.102 -4.415 4.023 1.00 0.00 O ATOM 106 CB VAL A 10 -1.631 -3.483 1.956 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.975 -4.923 1.607 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.291 -2.519 0.981 1.00 0.00 C ATOM 0 H VAL A 10 -1.037 -1.325 3.411 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.102 -3.421 3.532 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.551 -3.363 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.670 -5.132 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.452 -5.597 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.050 -5.074 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.982 -2.761 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.375 -2.605 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.990 -1.499 1.218 1.00 0.00 H new ATOM 118 N GLY A 11 -1.727 -4.208 5.564 1.00 0.00 N ATOM 119 CA GLY A 11 -1.004 -4.982 6.556 1.00 0.00 C ATOM 120 C GLY A 11 -1.016 -6.468 6.254 1.00 0.00 C ATOM 121 O GLY A 11 -1.549 -6.895 5.230 1.00 0.00 O ATOM 0 H GLY A 11 -2.638 -3.865 5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.027 -4.632 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.445 -4.810 7.538 1.00 0.00 H new ATOM 125 N ARG A 12 -0.427 -7.257 7.146 1.00 0.00 N ATOM 126 CA ARG A 12 -0.370 -8.702 6.967 1.00 0.00 C ATOM 127 C ARG A 12 0.329 -9.061 5.658 1.00 0.00 C ATOM 128 O ARG A 12 0.051 -10.102 5.060 1.00 0.00 O ATOM 129 CB ARG A 12 -1.779 -9.297 6.986 1.00 0.00 C ATOM 130 CG ARG A 12 -2.123 -10.006 8.286 1.00 0.00 C ATOM 131 CD ARG A 12 -3.241 -11.017 8.088 1.00 0.00 C ATOM 132 NE ARG A 12 -4.561 -10.402 8.194 1.00 0.00 N ATOM 133 CZ ARG A 12 -5.658 -10.917 7.649 1.00 0.00 C ATOM 134 NH1 ARG A 12 -5.592 -12.051 6.964 1.00 0.00 N ATOM 135 NH2 ARG A 12 -6.823 -10.298 7.789 1.00 0.00 N ATOM 0 H ARG A 12 0.017 -6.920 8.000 1.00 0.00 H new ATOM 0 HA ARG A 12 0.204 -9.122 7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.503 -8.501 6.814 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.878 -10.002 6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.238 -10.511 8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.422 -9.272 9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.137 -11.485 7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.149 -11.809 8.831 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.646 -9.529 8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.698 -12.530 6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.435 -12.444 6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.877 -9.426 8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.665 -10.694 7.370 1.00 0.00 H new ATOM 149 N CYS A 13 1.232 -8.193 5.219 1.00 0.00 N ATOM 150 CA CYS A 13 1.969 -8.418 3.980 1.00 0.00 C ATOM 151 C CYS A 13 3.373 -8.937 4.268 1.00 0.00 C ATOM 152 O CYS A 13 3.710 -9.248 5.412 1.00 0.00 O ATOM 153 CB CYS A 13 2.047 -7.124 3.167 1.00 0.00 C ATOM 154 SG CYS A 13 1.261 -7.224 1.543 1.00 0.00 S ATOM 0 H CYS A 13 1.472 -7.327 5.702 1.00 0.00 H new ATOM 0 HA CYS A 13 1.435 -9.172 3.401 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.579 -6.321 3.736 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.095 -6.853 3.036 1.00 0.00 H new ATOM 0 HG CYS A 13 1.928 -8.045 0.788 1.00 0.00 H new ATOM 160 N THR A 14 4.191 -9.031 3.224 1.00 0.00 N ATOM 161 CA THR A 14 5.558 -9.516 3.364 1.00 0.00 C ATOM 162 C THR A 14 6.536 -8.631 2.600 1.00 0.00 C ATOM 163 O THR A 14 6.150 -7.916 1.676 1.00 0.00 O ATOM 164 CB THR A 14 5.694 -10.965 2.861 1.00 0.00 C ATOM 165 OG1 THR A 14 5.820 -10.980 1.435 1.00 0.00 O ATOM 166 CG2 THR A 14 4.491 -11.798 3.278 1.00 0.00 C ATOM 0 H THR A 14 3.930 -8.777 2.271 1.00 0.00 H new ATOM 0 HA THR A 14 5.797 -9.484 4.427 1.00 0.00 H new ATOM 0 HB THR A 14 6.589 -11.398 3.308 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.908 -11.905 1.124 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.610 -12.818 2.911 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.416 -11.810 4.365 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.584 -11.364 2.856 1.00 0.00 H new ATOM 174 N GLY A 15 7.806 -8.684 2.991 1.00 0.00 N ATOM 175 CA GLY A 15 8.820 -7.882 2.331 1.00 0.00 C ATOM 176 C GLY A 15 9.085 -8.339 0.910 1.00 0.00 C ATOM 177 O GLY A 15 9.170 -7.521 -0.006 1.00 0.00 O ATOM 0 H GLY A 15 8.151 -9.268 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.504 -6.839 2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.746 -7.929 2.904 1.00 0.00 H new ATOM 181 N ASP A 16 9.218 -9.647 0.726 1.00 0.00 N ATOM 182 CA ASP A 16 9.477 -10.211 -0.594 1.00 0.00 C ATOM 183 C ASP A 16 8.704 -9.453 -1.669 1.00 0.00 C ATOM 184 O ASP A 16 9.275 -9.025 -2.672 1.00 0.00 O ATOM 185 CB ASP A 16 9.096 -11.693 -0.623 1.00 0.00 C ATOM 186 CG ASP A 16 9.852 -12.463 -1.688 1.00 0.00 C ATOM 187 OD1 ASP A 16 11.084 -12.290 -1.785 1.00 0.00 O ATOM 188 OD2 ASP A 16 9.209 -13.241 -2.424 1.00 0.00 O ATOM 0 H ASP A 16 9.151 -10.337 1.474 1.00 0.00 H new ATOM 0 HA ASP A 16 10.543 -10.114 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.296 -12.136 0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.025 -11.787 -0.802 1.00 0.00 H new ATOM 193 N MET A 17 7.402 -9.293 -1.453 1.00 0.00 N ATOM 194 CA MET A 17 6.552 -8.587 -2.404 1.00 0.00 C ATOM 195 C MET A 17 7.167 -7.248 -2.793 1.00 0.00 C ATOM 196 O MET A 17 7.846 -6.607 -1.990 1.00 0.00 O ATOM 197 CB MET A 17 5.159 -8.369 -1.810 1.00 0.00 C ATOM 198 CG MET A 17 4.478 -9.655 -1.370 1.00 0.00 C ATOM 199 SD MET A 17 2.684 -9.495 -1.276 1.00 0.00 S ATOM 200 CE MET A 17 2.305 -10.676 0.015 1.00 0.00 C ATOM 0 H MET A 17 6.914 -9.642 -0.629 1.00 0.00 H new ATOM 0 HA MET A 17 6.465 -9.200 -3.301 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.239 -7.699 -0.954 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.532 -7.870 -2.549 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.732 -10.453 -2.068 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.864 -9.950 -0.394 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.342 -11.144 -0.191 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.081 -11.441 0.047 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.261 -10.163 0.976 1.00 0.00 H new ATOM 210 N THR A 18 6.925 -6.827 -4.031 1.00 0.00 N ATOM 211 CA THR A 18 7.457 -5.564 -4.527 1.00 0.00 C ATOM 212 C THR A 18 6.335 -4.635 -4.979 1.00 0.00 C ATOM 213 O THR A 18 5.272 -5.090 -5.398 1.00 0.00 O ATOM 214 CB THR A 18 8.428 -5.786 -5.702 1.00 0.00 C ATOM 215 OG1 THR A 18 7.771 -6.503 -6.753 1.00 0.00 O ATOM 216 CG2 THR A 18 9.659 -6.555 -5.248 1.00 0.00 C ATOM 0 H THR A 18 6.364 -7.343 -4.709 1.00 0.00 H new ATOM 0 HA THR A 18 7.998 -5.102 -3.701 1.00 0.00 H new ATOM 0 HB THR A 18 8.744 -4.811 -6.072 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.395 -6.638 -7.496 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.330 -6.700 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.173 -5.992 -4.469 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.357 -7.525 -4.854 1.00 0.00 H new ATOM 224 N GLU A 19 6.581 -3.332 -4.891 1.00 0.00 N ATOM 225 CA GLU A 19 5.590 -2.339 -5.291 1.00 0.00 C ATOM 226 C GLU A 19 4.928 -2.732 -6.608 1.00 0.00 C ATOM 227 O GLU A 19 3.733 -2.512 -6.805 1.00 0.00 O ATOM 228 CB GLU A 19 6.241 -0.962 -5.426 1.00 0.00 C ATOM 229 CG GLU A 19 6.872 -0.457 -4.139 1.00 0.00 C ATOM 230 CD GLU A 19 8.327 -0.069 -4.314 1.00 0.00 C ATOM 231 OE1 GLU A 19 8.590 0.970 -4.956 1.00 0.00 O ATOM 232 OE2 GLU A 19 9.202 -0.804 -3.811 1.00 0.00 O ATOM 0 H GLU A 19 7.457 -2.939 -4.547 1.00 0.00 H new ATOM 0 HA GLU A 19 4.823 -2.296 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.005 -1.005 -6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.490 -0.245 -5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.311 0.405 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.796 -1.230 -3.374 1.00 0.00 H new ATOM 239 N ASP A 20 5.713 -3.314 -7.508 1.00 0.00 N ATOM 240 CA ASP A 20 5.205 -3.738 -8.807 1.00 0.00 C ATOM 241 C ASP A 20 4.089 -4.766 -8.644 1.00 0.00 C ATOM 242 O ASP A 20 2.993 -4.595 -9.179 1.00 0.00 O ATOM 243 CB ASP A 20 6.335 -4.325 -9.655 1.00 0.00 C ATOM 244 CG ASP A 20 6.421 -3.686 -11.026 1.00 0.00 C ATOM 245 OD1 ASP A 20 5.498 -3.899 -11.839 1.00 0.00 O ATOM 246 OD2 ASP A 20 7.413 -2.972 -11.288 1.00 0.00 O ATOM 0 H ASP A 20 6.705 -3.503 -7.361 1.00 0.00 H new ATOM 0 HA ASP A 20 4.799 -2.863 -9.314 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.283 -4.191 -9.135 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.182 -5.398 -9.767 1.00 0.00 H new ATOM 251 N GLU A 21 4.375 -5.832 -7.903 1.00 0.00 N ATOM 252 CA GLU A 21 3.395 -6.887 -7.672 1.00 0.00 C ATOM 253 C GLU A 21 2.057 -6.300 -7.230 1.00 0.00 C ATOM 254 O GLU A 21 1.047 -6.443 -7.919 1.00 0.00 O ATOM 255 CB GLU A 21 3.908 -7.867 -6.616 1.00 0.00 C ATOM 256 CG GLU A 21 5.173 -8.602 -7.030 1.00 0.00 C ATOM 257 CD GLU A 21 4.897 -9.733 -8.001 1.00 0.00 C ATOM 258 OE1 GLU A 21 3.809 -10.340 -7.913 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.769 -10.012 -8.850 1.00 0.00 O ATOM 0 H GLU A 21 5.277 -5.988 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 21 3.245 -7.421 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.100 -7.323 -5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.128 -8.597 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.866 -7.896 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.664 -9.001 -6.143 1.00 0.00 H new ATOM 266 N LEU A 22 2.060 -5.639 -6.078 1.00 0.00 N ATOM 267 CA LEU A 22 0.847 -5.031 -5.543 1.00 0.00 C ATOM 268 C LEU A 22 0.256 -4.033 -6.533 1.00 0.00 C ATOM 269 O LEU A 22 -0.957 -3.993 -6.741 1.00 0.00 O ATOM 270 CB LEU A 22 1.147 -4.333 -4.215 1.00 0.00 C ATOM 271 CG LEU A 22 1.504 -5.246 -3.042 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.421 -4.526 -2.065 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.245 -5.729 -2.338 1.00 0.00 C ATOM 0 H LEU A 22 2.888 -5.510 -5.497 1.00 0.00 H new ATOM 0 HA LEU A 22 0.117 -5.822 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.971 -3.637 -4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.277 -3.739 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 22 2.033 -6.115 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.664 -5.191 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.338 -4.232 -2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.919 -3.638 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.519 -6.378 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.313 -4.872 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.375 -6.284 -3.042 1.00 0.00 H new ATOM 285 N ARG A 23 1.121 -3.228 -7.142 1.00 0.00 N ATOM 286 CA ARG A 23 0.684 -2.232 -8.112 1.00 0.00 C ATOM 287 C ARG A 23 -0.013 -2.894 -9.297 1.00 0.00 C ATOM 288 O ARG A 23 -0.909 -2.310 -9.906 1.00 0.00 O ATOM 289 CB ARG A 23 1.878 -1.410 -8.604 1.00 0.00 C ATOM 290 CG ARG A 23 1.488 -0.242 -9.493 1.00 0.00 C ATOM 291 CD ARG A 23 2.174 1.044 -9.058 1.00 0.00 C ATOM 292 NE ARG A 23 2.292 2.001 -10.155 1.00 0.00 N ATOM 293 CZ ARG A 23 3.277 1.980 -11.045 1.00 0.00 C ATOM 294 NH1 ARG A 23 4.225 1.056 -10.968 1.00 0.00 N ATOM 295 NH2 ARG A 23 3.316 2.885 -12.015 1.00 0.00 N ATOM 0 H ARG A 23 2.128 -3.246 -6.981 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.027 -1.570 -7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.428 -1.032 -7.742 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.556 -2.063 -9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.754 -0.466 -10.526 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.407 -0.107 -9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.611 1.496 -8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.166 0.812 -8.671 1.00 0.00 H new ATOM 0 HE ARG A 23 1.579 2.725 -10.242 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.199 0.359 -10.224 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.981 1.042 -11.653 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.589 3.598 -12.077 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.073 2.868 -12.698 1.00 0.00 H new ATOM 309 N GLU A 24 0.406 -4.114 -9.616 1.00 0.00 N ATOM 310 CA GLU A 24 -0.178 -4.855 -10.730 1.00 0.00 C ATOM 311 C GLU A 24 -1.361 -5.697 -10.261 1.00 0.00 C ATOM 312 O GLU A 24 -2.227 -6.066 -11.055 1.00 0.00 O ATOM 313 CB GLU A 24 0.875 -5.752 -11.383 1.00 0.00 C ATOM 314 CG GLU A 24 1.295 -5.289 -12.767 1.00 0.00 C ATOM 315 CD GLU A 24 2.478 -4.341 -12.732 1.00 0.00 C ATOM 316 OE1 GLU A 24 2.323 -3.217 -12.211 1.00 0.00 O ATOM 317 OE2 GLU A 24 3.560 -4.725 -13.224 1.00 0.00 O ATOM 0 H GLU A 24 1.146 -4.611 -9.120 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.536 -4.134 -11.465 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.754 -5.793 -10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.483 -6.767 -11.452 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.548 -6.157 -13.375 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.453 -4.795 -13.252 1.00 0.00 H new ATOM 324 N PHE A 25 -1.389 -5.998 -8.967 1.00 0.00 N ATOM 325 CA PHE A 25 -2.464 -6.799 -8.392 1.00 0.00 C ATOM 326 C PHE A 25 -3.706 -5.947 -8.149 1.00 0.00 C ATOM 327 O PHE A 25 -4.831 -6.450 -8.162 1.00 0.00 O ATOM 328 CB PHE A 25 -2.007 -7.439 -7.080 1.00 0.00 C ATOM 329 CG PHE A 25 -3.082 -8.229 -6.391 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.315 -9.551 -6.731 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.859 -7.649 -5.402 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.305 -10.280 -6.100 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.851 -8.373 -4.766 1.00 0.00 C ATOM 334 CZ PHE A 25 -5.073 -9.691 -5.114 1.00 0.00 C ATOM 0 H PHE A 25 -0.680 -5.700 -8.297 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.717 -7.586 -9.103 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.159 -8.093 -7.281 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.654 -6.657 -6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.716 -10.018 -7.499 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.688 -6.619 -5.124 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.478 -11.309 -6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.451 -7.908 -3.998 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.845 -10.260 -4.617 1.00 0.00 H new ATOM 344 N PHE A 26 -3.495 -4.654 -7.924 1.00 0.00 N ATOM 345 CA PHE A 26 -4.597 -3.731 -7.676 1.00 0.00 C ATOM 346 C PHE A 26 -5.023 -3.033 -8.965 1.00 0.00 C ATOM 347 O PHE A 26 -6.002 -2.287 -8.984 1.00 0.00 O ATOM 348 CB PHE A 26 -4.192 -2.691 -6.629 1.00 0.00 C ATOM 349 CG PHE A 26 -4.025 -3.262 -5.251 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.087 -3.883 -4.610 1.00 0.00 C ATOM 351 CD2 PHE A 26 -2.808 -3.180 -4.595 1.00 0.00 C ATOM 352 CE1 PHE A 26 -4.935 -4.409 -3.340 1.00 0.00 C ATOM 353 CE2 PHE A 26 -2.650 -3.704 -3.325 1.00 0.00 C ATOM 354 CZ PHE A 26 -3.715 -4.320 -2.699 1.00 0.00 C ATOM 0 H PHE A 26 -2.571 -4.222 -7.908 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.443 -4.306 -7.299 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.256 -2.224 -6.936 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.946 -1.905 -6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.043 -3.956 -5.108 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.971 -2.701 -5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.769 -4.889 -2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.696 -3.631 -2.824 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.594 -4.732 -1.708 1.00 0.00 H new ATOM 364 N SER A 27 -4.280 -3.282 -10.038 1.00 0.00 N ATOM 365 CA SER A 27 -4.577 -2.674 -11.331 1.00 0.00 C ATOM 366 C SER A 27 -5.931 -3.146 -11.854 1.00 0.00 C ATOM 367 O SER A 27 -6.594 -2.441 -12.615 1.00 0.00 O ATOM 368 CB SER A 27 -3.481 -3.014 -12.342 1.00 0.00 C ATOM 369 OG SER A 27 -3.820 -4.164 -13.096 1.00 0.00 O ATOM 0 H SER A 27 -3.468 -3.900 -10.039 1.00 0.00 H new ATOM 0 HA SER A 27 -4.615 -1.593 -11.197 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.326 -2.169 -13.013 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.540 -3.183 -11.819 1.00 0.00 H new ATOM 0 HG SER A 27 -3.434 -4.959 -12.672 1.00 0.00 H new ATOM 375 N GLN A 28 -6.333 -4.344 -11.441 1.00 0.00 N ATOM 376 CA GLN A 28 -7.606 -4.911 -11.870 1.00 0.00 C ATOM 377 C GLN A 28 -8.766 -4.294 -11.093 1.00 0.00 C ATOM 378 O GLN A 28 -9.857 -4.106 -11.632 1.00 0.00 O ATOM 379 CB GLN A 28 -7.603 -6.430 -11.680 1.00 0.00 C ATOM 380 CG GLN A 28 -7.924 -6.867 -10.261 1.00 0.00 C ATOM 381 CD GLN A 28 -7.563 -8.315 -10.001 1.00 0.00 C ATOM 382 OE1 GLN A 28 -8.126 -9.227 -10.608 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.619 -8.537 -9.093 1.00 0.00 N ATOM 0 H GLN A 28 -5.796 -4.940 -10.811 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.737 -4.684 -12.928 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.329 -6.874 -12.361 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.624 -6.821 -11.959 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.386 -6.231 -9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.988 -6.722 -10.072 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.178 -7.752 -8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.335 -9.492 -8.876 1.00 0.00 H new ATOM 392 N TYR A 29 -8.521 -3.980 -9.825 1.00 0.00 N ATOM 393 CA TYR A 29 -9.546 -3.387 -8.974 1.00 0.00 C ATOM 394 C TYR A 29 -9.896 -1.979 -9.446 1.00 0.00 C ATOM 395 O TYR A 29 -11.065 -1.654 -9.652 1.00 0.00 O ATOM 396 CB TYR A 29 -9.070 -3.347 -7.522 1.00 0.00 C ATOM 397 CG TYR A 29 -9.080 -4.699 -6.843 1.00 0.00 C ATOM 398 CD1 TYR A 29 -8.012 -5.576 -6.985 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.157 -5.098 -6.061 1.00 0.00 C ATOM 400 CE1 TYR A 29 -8.018 -6.812 -6.368 1.00 0.00 C ATOM 401 CE2 TYR A 29 -10.170 -6.331 -5.439 1.00 0.00 C ATOM 402 CZ TYR A 29 -9.098 -7.185 -5.596 1.00 0.00 C ATOM 403 OH TYR A 29 -9.107 -8.415 -4.979 1.00 0.00 O ATOM 0 H TYR A 29 -7.623 -4.126 -9.365 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.441 -4.006 -9.039 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.059 -2.942 -7.491 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.705 -2.663 -6.959 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.163 -5.287 -7.587 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.999 -4.432 -5.937 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.181 -7.483 -6.490 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.014 -6.625 -4.833 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.188 -8.684 -4.772 1.00 0.00 H new ATOM 413 N GLY A 30 -8.874 -1.146 -9.615 1.00 0.00 N ATOM 414 CA GLY A 30 -9.093 0.217 -10.061 1.00 0.00 C ATOM 415 C GLY A 30 -7.826 0.868 -10.579 1.00 0.00 C ATOM 416 O GLY A 30 -6.788 0.217 -10.696 1.00 0.00 O ATOM 0 H GLY A 30 -7.898 -1.391 -9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.848 0.222 -10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.489 0.807 -9.235 1.00 0.00 H new ATOM 420 N ASP A 31 -7.911 2.156 -10.894 1.00 0.00 N ATOM 421 CA ASP A 31 -6.762 2.896 -11.403 1.00 0.00 C ATOM 422 C ASP A 31 -5.833 3.308 -10.267 1.00 0.00 C ATOM 423 O ASP A 31 -5.835 4.461 -9.835 1.00 0.00 O ATOM 424 CB ASP A 31 -7.227 4.134 -12.173 1.00 0.00 C ATOM 425 CG ASP A 31 -7.040 3.988 -13.670 1.00 0.00 C ATOM 426 OD1 ASP A 31 -7.621 3.049 -14.253 1.00 0.00 O ATOM 427 OD2 ASP A 31 -6.313 4.814 -14.260 1.00 0.00 O ATOM 0 H ASP A 31 -8.763 2.709 -10.806 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.211 2.242 -12.079 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.279 4.318 -11.957 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.673 5.005 -11.824 1.00 0.00 H new ATOM 432 N VAL A 32 -5.039 2.357 -9.783 1.00 0.00 N ATOM 433 CA VAL A 32 -4.105 2.621 -8.696 1.00 0.00 C ATOM 434 C VAL A 32 -3.035 3.620 -9.121 1.00 0.00 C ATOM 435 O VAL A 32 -2.173 3.309 -9.943 1.00 0.00 O ATOM 436 CB VAL A 32 -3.421 1.327 -8.216 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.767 0.604 -9.385 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.402 1.632 -7.130 1.00 0.00 C ATOM 0 H VAL A 32 -5.025 1.397 -10.127 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.686 3.042 -7.876 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.182 0.671 -7.793 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.289 -0.308 -9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.525 0.350 -10.126 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.018 1.252 -9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.930 0.705 -6.804 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.643 2.308 -7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.902 2.102 -6.283 1.00 0.00 H new ATOM 448 N MET A 33 -3.095 4.821 -8.556 1.00 0.00 N ATOM 449 CA MET A 33 -2.129 5.866 -8.875 1.00 0.00 C ATOM 450 C MET A 33 -0.702 5.344 -8.746 1.00 0.00 C ATOM 451 O MET A 33 0.065 5.362 -9.709 1.00 0.00 O ATOM 452 CB MET A 33 -2.329 7.073 -7.956 1.00 0.00 C ATOM 453 CG MET A 33 -3.011 8.248 -8.638 1.00 0.00 C ATOM 454 SD MET A 33 -2.897 9.769 -7.676 1.00 0.00 S ATOM 455 CE MET A 33 -4.057 9.423 -6.356 1.00 0.00 C ATOM 0 H MET A 33 -3.803 5.095 -7.875 1.00 0.00 H new ATOM 0 HA MET A 33 -2.292 6.174 -9.908 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.923 6.769 -7.094 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.359 7.396 -7.577 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.560 8.407 -9.617 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.061 8.007 -8.806 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.681 9.841 -5.422 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.022 9.872 -6.592 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.175 8.345 -6.249 1.00 0.00 H new ATOM 465 N ASP A 34 -0.352 4.882 -7.551 1.00 0.00 N ATOM 466 CA ASP A 34 0.984 4.355 -7.296 1.00 0.00 C ATOM 467 C ASP A 34 1.027 3.602 -5.970 1.00 0.00 C ATOM 468 O ASP A 34 0.083 3.655 -5.183 1.00 0.00 O ATOM 469 CB ASP A 34 2.010 5.489 -7.287 1.00 0.00 C ATOM 470 CG ASP A 34 3.260 5.146 -8.073 1.00 0.00 C ATOM 471 OD1 ASP A 34 4.001 4.237 -7.644 1.00 0.00 O ATOM 472 OD2 ASP A 34 3.497 5.786 -9.118 1.00 0.00 O ATOM 0 H ASP A 34 -0.975 4.862 -6.743 1.00 0.00 H new ATOM 0 HA ASP A 34 1.232 3.658 -8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.557 6.388 -7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.284 5.719 -6.257 1.00 0.00 H new ATOM 477 N VAL A 35 2.131 2.901 -5.729 1.00 0.00 N ATOM 478 CA VAL A 35 2.298 2.137 -4.498 1.00 0.00 C ATOM 479 C VAL A 35 3.691 2.336 -3.913 1.00 0.00 C ATOM 480 O VAL A 35 4.697 2.060 -4.568 1.00 0.00 O ATOM 481 CB VAL A 35 2.062 0.633 -4.734 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.295 -0.151 -3.452 1.00 0.00 C ATOM 483 CG2 VAL A 35 0.659 0.392 -5.269 1.00 0.00 C ATOM 0 H VAL A 35 2.923 2.847 -6.370 1.00 0.00 H new ATOM 0 HA VAL A 35 1.554 2.507 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 35 2.775 0.283 -5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.124 -1.211 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.321 -0.003 -3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.607 0.198 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.509 -0.676 -5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.073 0.756 -4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.533 0.922 -6.213 1.00 0.00 H new ATOM 493 N PHE A 36 3.744 2.817 -2.675 1.00 0.00 N ATOM 494 CA PHE A 36 5.015 3.054 -2.000 1.00 0.00 C ATOM 495 C PHE A 36 5.130 2.198 -0.742 1.00 0.00 C ATOM 496 O PHE A 36 4.125 1.852 -0.120 1.00 0.00 O ATOM 497 CB PHE A 36 5.157 4.534 -1.639 1.00 0.00 C ATOM 498 CG PHE A 36 6.265 4.809 -0.662 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.590 4.659 -1.037 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.980 5.218 0.631 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.611 4.911 -0.141 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.997 5.472 1.531 1.00 0.00 C ATOM 503 CZ PHE A 36 8.314 5.318 1.146 1.00 0.00 C ATOM 0 H PHE A 36 2.921 3.050 -2.119 1.00 0.00 H new ATOM 0 HA PHE A 36 5.818 2.776 -2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.336 5.106 -2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.216 4.889 -1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.828 4.341 -2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.952 5.340 0.938 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.640 4.790 -0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.762 5.791 2.536 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.110 5.515 1.849 1.00 0.00 H new ATOM 513 N ILE A 37 6.362 1.861 -0.374 1.00 0.00 N ATOM 514 CA ILE A 37 6.609 1.047 0.809 1.00 0.00 C ATOM 515 C ILE A 37 7.414 1.818 1.849 1.00 0.00 C ATOM 516 O ILE A 37 8.642 1.886 1.794 1.00 0.00 O ATOM 517 CB ILE A 37 7.360 -0.250 0.454 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.472 -1.162 -0.397 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.808 -0.967 1.718 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.241 -2.236 -1.133 1.00 0.00 C ATOM 0 H ILE A 37 7.204 2.139 -0.878 1.00 0.00 H new ATOM 0 HA ILE A 37 5.634 0.791 1.224 1.00 0.00 H new ATOM 0 HB ILE A 37 8.246 0.008 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.728 -1.634 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.929 -0.555 -1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.337 -1.881 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.472 -0.318 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.936 -1.216 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.549 -2.845 -1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.966 -1.771 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.763 -2.867 -0.414 1.00 0.00 H new ATOM 532 N PRO A 38 6.709 2.413 2.822 1.00 0.00 N ATOM 533 CA PRO A 38 7.337 3.189 3.895 1.00 0.00 C ATOM 534 C PRO A 38 8.119 2.310 4.865 1.00 0.00 C ATOM 535 O PRO A 38 7.589 1.336 5.401 1.00 0.00 O ATOM 536 CB PRO A 38 6.149 3.842 4.605 1.00 0.00 C ATOM 537 CG PRO A 38 4.997 2.941 4.321 1.00 0.00 C ATOM 538 CD PRO A 38 5.242 2.374 2.950 1.00 0.00 C ATOM 0 HA PRO A 38 8.064 3.903 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.328 3.930 5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.967 4.848 4.228 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.930 2.147 5.065 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.056 3.489 4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.858 1.358 2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.755 2.968 2.177 1.00 0.00 H new ATOM 546 N LYS A 39 9.381 2.659 5.088 1.00 0.00 N ATOM 547 CA LYS A 39 10.236 1.902 5.995 1.00 0.00 C ATOM 548 C LYS A 39 10.274 2.551 7.375 1.00 0.00 C ATOM 549 O LYS A 39 10.073 3.756 7.526 1.00 0.00 O ATOM 550 CB LYS A 39 11.654 1.802 5.428 1.00 0.00 C ATOM 551 CG LYS A 39 11.753 0.929 4.189 1.00 0.00 C ATOM 552 CD LYS A 39 11.433 -0.523 4.503 1.00 0.00 C ATOM 553 CE LYS A 39 11.799 -1.438 3.344 1.00 0.00 C ATOM 554 NZ LYS A 39 13.273 -1.551 3.171 1.00 0.00 N ATOM 0 H LYS A 39 9.835 3.462 4.653 1.00 0.00 H new ATOM 0 HA LYS A 39 9.820 0.900 6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.011 2.803 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.316 1.404 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.066 1.297 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.758 0.999 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.976 -0.831 5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.371 -0.623 4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.377 -2.428 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.354 -1.056 2.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.490 -2.371 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.637 -0.686 2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.723 -1.675 4.100 1.00 0.00 H new ATOM 568 N PRO A 40 10.538 1.736 8.406 1.00 0.00 N ATOM 569 CA PRO A 40 10.779 0.299 8.239 1.00 0.00 C ATOM 570 C PRO A 40 9.517 -0.457 7.838 1.00 0.00 C ATOM 571 O PRO A 40 8.452 -0.261 8.424 1.00 0.00 O ATOM 572 CB PRO A 40 11.251 -0.146 9.625 1.00 0.00 C ATOM 573 CG PRO A 40 10.660 0.848 10.564 1.00 0.00 C ATOM 574 CD PRO A 40 10.624 2.153 9.816 1.00 0.00 C ATOM 0 HA PRO A 40 11.497 0.096 7.444 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.912 -1.156 9.853 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.339 -0.153 9.689 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.659 0.547 10.872 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.260 0.934 11.470 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.767 2.760 10.108 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.517 2.749 10.005 1.00 0.00 H new ATOM 582 N PHE A 41 9.643 -1.321 6.836 1.00 0.00 N ATOM 583 CA PHE A 41 8.511 -2.106 6.357 1.00 0.00 C ATOM 584 C PHE A 41 8.154 -3.208 7.351 1.00 0.00 C ATOM 585 O PHE A 41 8.905 -4.169 7.525 1.00 0.00 O ATOM 586 CB PHE A 41 8.831 -2.719 4.992 1.00 0.00 C ATOM 587 CG PHE A 41 7.847 -3.770 4.562 1.00 0.00 C ATOM 588 CD1 PHE A 41 6.687 -3.419 3.891 1.00 0.00 C ATOM 589 CD2 PHE A 41 8.085 -5.109 4.828 1.00 0.00 C ATOM 590 CE1 PHE A 41 5.780 -4.384 3.496 1.00 0.00 C ATOM 591 CE2 PHE A 41 7.182 -6.079 4.435 1.00 0.00 C ATOM 592 CZ PHE A 41 6.029 -5.716 3.766 1.00 0.00 C ATOM 0 H PHE A 41 10.517 -1.495 6.340 1.00 0.00 H new ATOM 0 HA PHE A 41 7.654 -1.440 6.257 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.855 -1.927 4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.828 -3.158 5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.489 -2.380 3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.986 -5.398 5.348 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.877 -4.097 2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.378 -7.119 4.651 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.323 -6.472 3.455 1.00 0.00 H new ATOM 602 N ARG A 42 7.004 -3.062 8.000 1.00 0.00 N ATOM 603 CA ARG A 42 6.548 -4.042 8.977 1.00 0.00 C ATOM 604 C ARG A 42 5.271 -4.730 8.501 1.00 0.00 C ATOM 605 O ARG A 42 4.168 -4.357 8.899 1.00 0.00 O ATOM 606 CB ARG A 42 6.305 -3.371 10.329 1.00 0.00 C ATOM 607 CG ARG A 42 7.550 -3.279 11.196 1.00 0.00 C ATOM 608 CD ARG A 42 7.558 -2.003 12.025 1.00 0.00 C ATOM 609 NE ARG A 42 8.883 -1.712 12.567 1.00 0.00 N ATOM 610 CZ ARG A 42 9.101 -0.837 13.542 1.00 0.00 C ATOM 611 NH1 ARG A 42 8.087 -0.173 14.080 1.00 0.00 N ATOM 612 NH2 ARG A 42 10.335 -0.626 13.981 1.00 0.00 N ATOM 0 H ARG A 42 6.371 -2.274 7.867 1.00 0.00 H new ATOM 0 HA ARG A 42 7.327 -4.796 9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.914 -2.367 10.162 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.537 -3.926 10.868 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.599 -4.144 11.857 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.438 -3.310 10.564 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.227 -1.168 11.408 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.844 -2.098 12.843 1.00 0.00 H new ATOM 0 HE ARG A 42 9.684 -2.208 12.175 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.137 -0.334 13.745 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.257 0.498 14.829 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.117 -1.136 13.570 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.502 0.046 14.730 1.00 0.00 H new ATOM 626 N ALA A 43 5.430 -5.736 7.647 1.00 0.00 N ATOM 627 CA ALA A 43 4.291 -6.477 7.119 1.00 0.00 C ATOM 628 C ALA A 43 3.145 -5.538 6.758 1.00 0.00 C ATOM 629 O ALA A 43 1.978 -5.844 7.005 1.00 0.00 O ATOM 630 CB ALA A 43 3.826 -7.518 8.126 1.00 0.00 C ATOM 0 H ALA A 43 6.336 -6.056 7.306 1.00 0.00 H new ATOM 0 HA ALA A 43 4.610 -6.985 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.975 -8.064 7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.639 -8.214 8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.530 -7.023 9.051 1.00 0.00 H new ATOM 636 N PHE A 44 3.485 -4.393 6.175 1.00 0.00 N ATOM 637 CA PHE A 44 2.484 -3.408 5.782 1.00 0.00 C ATOM 638 C PHE A 44 3.057 -2.427 4.763 1.00 0.00 C ATOM 639 O PHE A 44 4.263 -2.186 4.728 1.00 0.00 O ATOM 640 CB PHE A 44 1.976 -2.648 7.010 1.00 0.00 C ATOM 641 CG PHE A 44 2.736 -1.381 7.287 1.00 0.00 C ATOM 642 CD1 PHE A 44 4.050 -1.427 7.723 1.00 0.00 C ATOM 643 CD2 PHE A 44 2.134 -0.146 7.112 1.00 0.00 C ATOM 644 CE1 PHE A 44 4.752 -0.264 7.978 1.00 0.00 C ATOM 645 CE2 PHE A 44 2.831 1.021 7.366 1.00 0.00 C ATOM 646 CZ PHE A 44 4.140 0.961 7.801 1.00 0.00 C ATOM 0 H PHE A 44 4.446 -4.124 5.964 1.00 0.00 H new ATOM 0 HA PHE A 44 1.650 -3.938 5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.923 -2.407 6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.040 -3.299 7.882 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.532 -2.383 7.865 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.110 -0.094 6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.777 -0.313 8.315 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.352 1.978 7.224 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.685 1.871 8.003 1.00 0.00 H new ATOM 656 N ALA A 45 2.182 -1.864 3.937 1.00 0.00 N ATOM 657 CA ALA A 45 2.599 -0.908 2.919 1.00 0.00 C ATOM 658 C ALA A 45 1.482 0.081 2.604 1.00 0.00 C ATOM 659 O ALA A 45 0.320 -0.154 2.936 1.00 0.00 O ATOM 660 CB ALA A 45 3.033 -1.638 1.655 1.00 0.00 C ATOM 0 H ALA A 45 1.180 -2.053 3.953 1.00 0.00 H new ATOM 0 HA ALA A 45 3.447 -0.345 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.342 -0.912 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.868 -2.299 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.200 -2.226 1.270 1.00 0.00 H new ATOM 666 N PHE A 46 1.842 1.187 1.960 1.00 0.00 N ATOM 667 CA PHE A 46 0.870 2.213 1.602 1.00 0.00 C ATOM 668 C PHE A 46 0.599 2.204 0.100 1.00 0.00 C ATOM 669 O PHE A 46 1.526 2.149 -0.708 1.00 0.00 O ATOM 670 CB PHE A 46 1.369 3.592 2.034 1.00 0.00 C ATOM 671 CG PHE A 46 0.423 4.707 1.691 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.748 4.885 2.408 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.706 5.577 0.649 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.621 5.911 2.095 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.162 6.604 0.331 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.328 6.771 1.055 1.00 0.00 C ATOM 0 H PHE A 46 2.799 1.395 1.676 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.062 1.993 2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.537 3.588 3.111 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.332 3.785 1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.983 4.215 3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.615 5.450 0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.531 6.039 2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.070 7.276 -0.482 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.008 7.572 0.808 1.00 0.00 H new ATOM 686 N VAL A 47 -0.677 2.260 -0.266 1.00 0.00 N ATOM 687 CA VAL A 47 -1.071 2.259 -1.670 1.00 0.00 C ATOM 688 C VAL A 47 -2.043 3.395 -1.968 1.00 0.00 C ATOM 689 O VAL A 47 -3.045 3.569 -1.273 1.00 0.00 O ATOM 690 CB VAL A 47 -1.722 0.922 -2.069 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.285 1.003 -3.482 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.719 -0.215 -1.951 1.00 0.00 C ATOM 0 H VAL A 47 -1.456 2.307 0.390 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.162 2.400 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.547 0.721 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.741 0.049 -3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.037 1.791 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.480 1.227 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.196 -1.152 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.128 -0.023 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.368 -0.286 -0.921 1.00 0.00 H new ATOM 702 N THR A 48 -1.742 4.168 -3.007 1.00 0.00 N ATOM 703 CA THR A 48 -2.587 5.288 -3.398 1.00 0.00 C ATOM 704 C THR A 48 -3.469 4.922 -4.588 1.00 0.00 C ATOM 705 O THR A 48 -3.044 4.200 -5.490 1.00 0.00 O ATOM 706 CB THR A 48 -1.748 6.528 -3.759 1.00 0.00 C ATOM 707 OG1 THR A 48 -0.835 6.826 -2.697 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.642 7.730 -4.019 1.00 0.00 C ATOM 0 H THR A 48 -0.918 4.038 -3.593 1.00 0.00 H new ATOM 0 HA THR A 48 -3.216 5.522 -2.540 1.00 0.00 H new ATOM 0 HB THR A 48 -1.189 6.309 -4.669 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.185 6.468 -1.855 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.027 8.593 -4.272 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.316 7.510 -4.847 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.225 7.950 -3.125 1.00 0.00 H new ATOM 716 N PHE A 49 -4.699 5.425 -4.584 1.00 0.00 N ATOM 717 CA PHE A 49 -5.641 5.151 -5.663 1.00 0.00 C ATOM 718 C PHE A 49 -6.131 6.449 -6.300 1.00 0.00 C ATOM 719 O PHE A 49 -6.374 7.439 -5.611 1.00 0.00 O ATOM 720 CB PHE A 49 -6.832 4.348 -5.137 1.00 0.00 C ATOM 721 CG PHE A 49 -6.548 2.879 -4.994 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.456 2.066 -6.111 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.372 2.313 -3.741 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.196 0.715 -5.982 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.111 0.963 -3.606 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.021 0.163 -4.728 1.00 0.00 C ATOM 0 H PHE A 49 -5.067 6.025 -3.845 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.124 4.566 -6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.131 4.748 -4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.677 4.483 -5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.589 2.493 -7.094 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.440 2.934 -2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.130 0.091 -6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.977 0.534 -2.624 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.814 -0.892 -4.625 1.00 0.00 H new ATOM 736 N ALA A 50 -6.271 6.435 -7.621 1.00 0.00 N ATOM 737 CA ALA A 50 -6.732 7.609 -8.352 1.00 0.00 C ATOM 738 C ALA A 50 -8.117 8.041 -7.879 1.00 0.00 C ATOM 739 O ALA A 50 -8.595 9.119 -8.233 1.00 0.00 O ATOM 740 CB ALA A 50 -6.749 7.326 -9.848 1.00 0.00 C ATOM 0 H ALA A 50 -6.072 5.624 -8.207 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.037 8.425 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.095 8.211 -10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.743 7.071 -10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.421 6.493 -10.053 1.00 0.00 H new ATOM 746 N ASP A 51 -8.754 7.195 -7.078 1.00 0.00 N ATOM 747 CA ASP A 51 -10.083 7.490 -6.556 1.00 0.00 C ATOM 748 C ASP A 51 -10.234 6.973 -5.129 1.00 0.00 C ATOM 749 O ASP A 51 -9.777 5.877 -4.805 1.00 0.00 O ATOM 750 CB ASP A 51 -11.157 6.869 -7.453 1.00 0.00 C ATOM 751 CG ASP A 51 -11.950 7.913 -8.213 1.00 0.00 C ATOM 752 OD1 ASP A 51 -12.528 8.810 -7.563 1.00 0.00 O ATOM 753 OD2 ASP A 51 -11.994 7.834 -9.460 1.00 0.00 O ATOM 0 H ASP A 51 -8.372 6.299 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.210 8.573 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.685 6.188 -8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.836 6.274 -6.843 1.00 0.00 H new ATOM 758 N ASP A 52 -10.877 7.769 -4.282 1.00 0.00 N ATOM 759 CA ASP A 52 -11.087 7.392 -2.889 1.00 0.00 C ATOM 760 C ASP A 52 -12.140 6.293 -2.777 1.00 0.00 C ATOM 761 O ASP A 52 -12.132 5.508 -1.829 1.00 0.00 O ATOM 762 CB ASP A 52 -11.513 8.609 -2.068 1.00 0.00 C ATOM 763 CG ASP A 52 -12.310 8.227 -0.836 1.00 0.00 C ATOM 764 OD1 ASP A 52 -11.884 7.297 -0.119 1.00 0.00 O ATOM 765 OD2 ASP A 52 -13.359 8.857 -0.587 1.00 0.00 O ATOM 0 H ASP A 52 -11.262 8.679 -4.535 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.145 7.010 -2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.627 9.167 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.111 9.273 -2.692 1.00 0.00 H new ATOM 770 N GLN A 53 -13.045 6.247 -3.749 1.00 0.00 N ATOM 771 CA GLN A 53 -14.106 5.246 -3.757 1.00 0.00 C ATOM 772 C GLN A 53 -13.525 3.838 -3.825 1.00 0.00 C ATOM 773 O GLN A 53 -14.112 2.889 -3.303 1.00 0.00 O ATOM 774 CB GLN A 53 -15.047 5.479 -4.941 1.00 0.00 C ATOM 775 CG GLN A 53 -15.690 6.856 -4.945 1.00 0.00 C ATOM 776 CD GLN A 53 -16.645 7.052 -6.106 1.00 0.00 C ATOM 777 OE1 GLN A 53 -16.222 7.226 -7.250 1.00 0.00 O ATOM 778 NE2 GLN A 53 -17.941 7.024 -5.819 1.00 0.00 N ATOM 0 H GLN A 53 -13.065 6.890 -4.540 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.669 5.343 -2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.491 5.344 -5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.830 4.721 -4.926 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -16.228 7.004 -4.009 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -14.910 7.617 -4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -18.247 6.877 -4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -18.630 7.149 -6.560 1.00 0.00 H new ATOM 787 N ILE A 54 -12.370 3.709 -4.470 1.00 0.00 N ATOM 788 CA ILE A 54 -11.711 2.417 -4.604 1.00 0.00 C ATOM 789 C ILE A 54 -10.984 2.035 -3.319 1.00 0.00 C ATOM 790 O ILE A 54 -11.070 0.895 -2.861 1.00 0.00 O ATOM 791 CB ILE A 54 -10.703 2.417 -5.769 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.400 2.807 -7.074 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.045 1.052 -5.900 1.00 0.00 C ATOM 794 CD1 ILE A 54 -10.461 2.899 -8.256 1.00 0.00 C ATOM 0 H ILE A 54 -11.872 4.484 -4.908 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.492 1.685 -4.809 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.927 3.153 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.177 2.075 -7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.896 3.768 -6.938 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.336 1.068 -6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.519 0.811 -4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.808 0.297 -6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.023 3.180 -9.147 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.698 3.651 -8.057 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.984 1.932 -8.418 1.00 0.00 H new ATOM 806 N ALA A 55 -10.272 2.996 -2.740 1.00 0.00 N ATOM 807 CA ALA A 55 -9.533 2.761 -1.505 1.00 0.00 C ATOM 808 C ALA A 55 -10.482 2.520 -0.336 1.00 0.00 C ATOM 809 O ALA A 55 -10.151 1.800 0.605 1.00 0.00 O ATOM 810 CB ALA A 55 -8.613 3.936 -1.209 1.00 0.00 C ATOM 0 H ALA A 55 -10.191 3.945 -3.106 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.927 1.865 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.068 3.747 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.905 4.060 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.206 4.844 -1.101 1.00 0.00 H new ATOM 816 N GLN A 56 -11.662 3.130 -0.403 1.00 0.00 N ATOM 817 CA GLN A 56 -12.657 2.982 0.653 1.00 0.00 C ATOM 818 C GLN A 56 -13.358 1.631 0.556 1.00 0.00 C ATOM 819 O GLN A 56 -13.370 0.857 1.513 1.00 0.00 O ATOM 820 CB GLN A 56 -13.687 4.111 0.574 1.00 0.00 C ATOM 821 CG GLN A 56 -13.596 5.100 1.723 1.00 0.00 C ATOM 822 CD GLN A 56 -14.954 5.606 2.167 1.00 0.00 C ATOM 823 OE1 GLN A 56 -15.364 6.712 1.810 1.00 0.00 O ATOM 824 NE2 GLN A 56 -15.661 4.800 2.949 1.00 0.00 N ATOM 0 H GLN A 56 -11.951 3.730 -1.176 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.142 3.035 1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.555 4.646 -0.366 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.687 3.678 0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.096 4.625 2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.978 5.946 1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.283 3.892 3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.582 5.088 3.279 1.00 0.00 H new ATOM 833 N SER A 57 -13.941 1.355 -0.607 1.00 0.00 N ATOM 834 CA SER A 57 -14.647 0.099 -0.828 1.00 0.00 C ATOM 835 C SER A 57 -13.758 -1.093 -0.484 1.00 0.00 C ATOM 836 O SER A 57 -14.218 -2.084 0.084 1.00 0.00 O ATOM 837 CB SER A 57 -15.113 0.000 -2.281 1.00 0.00 C ATOM 838 OG SER A 57 -16.519 0.150 -2.377 1.00 0.00 O ATOM 0 H SER A 57 -13.938 1.984 -1.410 1.00 0.00 H new ATOM 0 HA SER A 57 -15.518 0.081 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.621 0.768 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.818 -0.964 -2.696 1.00 0.00 H new ATOM 0 HG SER A 57 -16.792 0.085 -3.316 1.00 0.00 H new ATOM 844 N LEU A 58 -12.480 -0.988 -0.834 1.00 0.00 N ATOM 845 CA LEU A 58 -11.524 -2.057 -0.564 1.00 0.00 C ATOM 846 C LEU A 58 -11.282 -2.205 0.934 1.00 0.00 C ATOM 847 O LEU A 58 -10.943 -3.288 1.414 1.00 0.00 O ATOM 848 CB LEU A 58 -10.201 -1.777 -1.280 1.00 0.00 C ATOM 849 CG LEU A 58 -9.985 -2.511 -2.604 1.00 0.00 C ATOM 850 CD1 LEU A 58 -8.666 -2.096 -3.235 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.026 -4.017 -2.391 1.00 0.00 C ATOM 0 H LEU A 58 -12.083 -0.175 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.944 -2.990 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.132 -0.705 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.384 -2.037 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.791 -2.238 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.529 -2.629 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.675 -1.022 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.847 -2.339 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.871 -4.524 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.241 -4.307 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.996 -4.301 -1.983 1.00 0.00 H new ATOM 863 N CYS A 59 -11.462 -1.114 1.669 1.00 0.00 N ATOM 864 CA CYS A 59 -11.265 -1.123 3.114 1.00 0.00 C ATOM 865 C CYS A 59 -12.209 -2.116 3.785 1.00 0.00 C ATOM 866 O CYS A 59 -13.428 -2.015 3.653 1.00 0.00 O ATOM 867 CB CYS A 59 -11.486 0.277 3.689 1.00 0.00 C ATOM 868 SG CYS A 59 -10.985 0.453 5.417 1.00 0.00 S ATOM 0 H CYS A 59 -11.744 -0.211 1.288 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.239 -1.432 3.314 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.933 0.997 3.086 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.542 0.532 3.600 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.209 1.671 5.812 1.00 0.00 H new ATOM 874 N GLY A 60 -11.635 -3.077 4.503 1.00 0.00 N ATOM 875 CA GLY A 60 -12.440 -4.075 5.182 1.00 0.00 C ATOM 876 C GLY A 60 -12.568 -5.358 4.384 1.00 0.00 C ATOM 877 O GLY A 60 -13.176 -6.323 4.843 1.00 0.00 O ATOM 0 H GLY A 60 -10.628 -3.182 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.996 -4.297 6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.433 -3.668 5.372 1.00 0.00 H new ATOM 881 N GLU A 61 -11.992 -5.367 3.185 1.00 0.00 N ATOM 882 CA GLU A 61 -12.048 -6.540 2.321 1.00 0.00 C ATOM 883 C GLU A 61 -10.760 -7.353 2.424 1.00 0.00 C ATOM 884 O GLU A 61 -9.660 -6.805 2.355 1.00 0.00 O ATOM 885 CB GLU A 61 -12.283 -6.120 0.868 1.00 0.00 C ATOM 886 CG GLU A 61 -13.408 -5.112 0.701 1.00 0.00 C ATOM 887 CD GLU A 61 -14.199 -5.327 -0.575 1.00 0.00 C ATOM 888 OE1 GLU A 61 -14.037 -6.395 -1.201 1.00 0.00 O ATOM 889 OE2 GLU A 61 -14.980 -4.427 -0.946 1.00 0.00 O ATOM 0 H GLU A 61 -11.482 -4.576 2.791 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.879 -7.163 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.363 -5.694 0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.509 -7.006 0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.080 -5.178 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.991 -4.105 0.700 1.00 0.00 H new ATOM 896 N ASP A 62 -10.907 -8.663 2.591 1.00 0.00 N ATOM 897 CA ASP A 62 -9.757 -9.552 2.704 1.00 0.00 C ATOM 898 C ASP A 62 -9.387 -10.137 1.344 1.00 0.00 C ATOM 899 O ASP A 62 -10.161 -10.887 0.747 1.00 0.00 O ATOM 900 CB ASP A 62 -10.053 -10.680 3.694 1.00 0.00 C ATOM 901 CG ASP A 62 -9.088 -10.692 4.863 1.00 0.00 C ATOM 902 OD1 ASP A 62 -7.889 -10.416 4.646 1.00 0.00 O ATOM 903 OD2 ASP A 62 -9.532 -10.974 5.995 1.00 0.00 O ATOM 0 H ASP A 62 -11.811 -9.132 2.651 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.913 -8.969 3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.071 -10.573 4.068 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.003 -11.637 3.175 1.00 0.00 H new ATOM 908 N LEU A 63 -8.200 -9.789 0.859 1.00 0.00 N ATOM 909 CA LEU A 63 -7.727 -10.278 -0.431 1.00 0.00 C ATOM 910 C LEU A 63 -6.614 -11.305 -0.249 1.00 0.00 C ATOM 911 O LEU A 63 -6.041 -11.428 0.834 1.00 0.00 O ATOM 912 CB LEU A 63 -7.227 -9.114 -1.288 1.00 0.00 C ATOM 913 CG LEU A 63 -7.980 -7.792 -1.130 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.236 -6.668 -1.834 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.396 -7.918 -1.670 1.00 0.00 C ATOM 0 H LEU A 63 -7.548 -9.170 1.340 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.563 -10.761 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.177 -8.941 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.275 -9.413 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.038 -7.552 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.786 -5.735 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.241 -6.563 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.147 -6.900 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.917 -6.968 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.360 -8.181 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.927 -8.695 -1.121 1.00 0.00 H new ATOM 927 N ILE A 64 -6.312 -12.038 -1.315 1.00 0.00 N ATOM 928 CA ILE A 64 -5.265 -13.052 -1.274 1.00 0.00 C ATOM 929 C ILE A 64 -4.175 -12.757 -2.298 1.00 0.00 C ATOM 930 O ILE A 64 -4.437 -12.696 -3.500 1.00 0.00 O ATOM 931 CB ILE A 64 -5.834 -14.459 -1.538 1.00 0.00 C ATOM 932 CG1 ILE A 64 -7.042 -14.721 -0.635 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.761 -15.513 -1.315 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.712 -14.689 0.841 1.00 0.00 C ATOM 0 H ILE A 64 -6.778 -11.949 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.837 -13.024 -0.272 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.161 -14.515 -2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.810 -13.976 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.466 -15.694 -0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.178 -16.502 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.928 -15.333 -1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.407 -15.460 -0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.615 -14.883 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.967 -15.453 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.316 -13.708 1.104 1.00 0.00 H new ATOM 946 N ILE A 65 -2.950 -12.578 -1.813 1.00 0.00 N ATOM 947 CA ILE A 65 -1.818 -12.293 -2.687 1.00 0.00 C ATOM 948 C ILE A 65 -0.685 -13.289 -2.460 1.00 0.00 C ATOM 949 O ILE A 65 -0.065 -13.308 -1.397 1.00 0.00 O ATOM 950 CB ILE A 65 -1.284 -10.865 -2.468 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.414 -9.845 -2.617 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.160 -10.564 -3.448 1.00 0.00 C ATOM 953 CD1 ILE A 65 -2.027 -8.446 -2.191 1.00 0.00 C ATOM 0 H ILE A 65 -2.717 -12.625 -0.821 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.178 -12.384 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.887 -10.793 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.737 -9.823 -3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.269 -10.173 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.207 -9.551 -3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.653 -11.274 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.534 -10.651 -4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.877 -7.777 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.732 -8.454 -1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.193 -8.098 -2.800 1.00 0.00 H new ATOM 965 N LYS A 66 -0.418 -14.111 -3.468 1.00 0.00 N ATOM 966 CA LYS A 66 0.643 -15.108 -3.382 1.00 0.00 C ATOM 967 C LYS A 66 0.275 -16.210 -2.394 1.00 0.00 C ATOM 968 O LYS A 66 1.147 -16.897 -1.863 1.00 0.00 O ATOM 969 CB LYS A 66 1.958 -14.448 -2.962 1.00 0.00 C ATOM 970 CG LYS A 66 2.268 -13.171 -3.723 1.00 0.00 C ATOM 971 CD LYS A 66 3.760 -13.022 -3.977 1.00 0.00 C ATOM 972 CE LYS A 66 4.238 -13.979 -5.058 1.00 0.00 C ATOM 973 NZ LYS A 66 5.715 -13.912 -5.244 1.00 0.00 N ATOM 0 H LYS A 66 -0.922 -14.107 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 66 0.768 -15.556 -4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.919 -14.225 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.773 -15.156 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.735 -13.174 -4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.907 -12.312 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.979 -11.996 -4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.308 -13.210 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.951 -14.997 -4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.742 -13.741 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.002 -14.579 -5.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.987 -12.947 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.189 -14.164 -4.353 1.00 0.00 H new ATOM 987 N GLY A 67 -1.022 -16.373 -2.152 1.00 0.00 N ATOM 988 CA GLY A 67 -1.481 -17.394 -1.228 1.00 0.00 C ATOM 989 C GLY A 67 -1.805 -16.833 0.142 1.00 0.00 C ATOM 990 O GLY A 67 -2.658 -17.366 0.853 1.00 0.00 O ATOM 0 H GLY A 67 -1.763 -15.817 -2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.367 -17.878 -1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.714 -18.162 -1.130 1.00 0.00 H new ATOM 994 N ILE A 68 -1.122 -15.756 0.515 1.00 0.00 N ATOM 995 CA ILE A 68 -1.341 -15.124 1.811 1.00 0.00 C ATOM 996 C ILE A 68 -2.586 -14.242 1.788 1.00 0.00 C ATOM 997 O ILE A 68 -3.028 -13.802 0.727 1.00 0.00 O ATOM 998 CB ILE A 68 -0.130 -14.271 2.233 1.00 0.00 C ATOM 999 CG1 ILE A 68 -0.049 -13.003 1.382 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.153 -15.079 2.113 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.146 -11.726 2.188 1.00 0.00 C ATOM 0 H ILE A 68 -0.413 -15.303 -0.061 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.480 -15.927 2.535 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.256 -13.978 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.891 -13.005 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.851 -13.019 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.000 -14.463 2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.093 -15.955 2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.286 -15.399 1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.081 -10.868 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.098 -11.702 2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.671 -11.687 2.908 1.00 0.00 H new ATOM 1013 N SER A 69 -3.145 -13.987 2.967 1.00 0.00 N ATOM 1014 CA SER A 69 -4.340 -13.160 3.082 1.00 0.00 C ATOM 1015 C SER A 69 -4.003 -11.802 3.694 1.00 0.00 C ATOM 1016 O SER A 69 -3.595 -11.714 4.851 1.00 0.00 O ATOM 1017 CB SER A 69 -5.396 -13.867 3.934 1.00 0.00 C ATOM 1018 OG SER A 69 -6.604 -13.127 3.966 1.00 0.00 O ATOM 0 H SER A 69 -2.790 -14.341 3.855 1.00 0.00 H new ATOM 0 HA SER A 69 -4.739 -13.000 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.586 -14.862 3.532 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.020 -14.000 4.948 1.00 0.00 H new ATOM 0 HG SER A 69 -7.263 -13.600 4.515 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.177 -10.746 2.905 1.00 0.00 N ATOM 1025 CA VAL A 70 -3.894 -9.393 3.367 1.00 0.00 C ATOM 1026 C VAL A 70 -5.166 -8.693 3.834 1.00 0.00 C ATOM 1027 O VAL A 70 -6.273 -9.072 3.448 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.234 -8.549 2.260 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.947 -9.205 1.784 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.198 -8.343 1.102 1.00 0.00 C ATOM 0 H VAL A 70 -4.512 -10.802 1.943 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.204 -9.483 4.206 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.984 -7.572 2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.495 -8.595 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.254 -9.295 2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.169 -10.196 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.716 -7.745 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.481 -9.311 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.089 -7.826 1.458 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.001 -7.670 4.666 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.136 -6.917 5.185 1.00 0.00 C ATOM 1042 C HIS A 71 -6.048 -5.449 4.775 1.00 0.00 C ATOM 1043 O HIS A 71 -5.037 -4.788 5.017 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.197 -7.029 6.709 1.00 0.00 C ATOM 1045 CG HIS A 71 -7.214 -6.127 7.337 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -8.384 -6.589 7.902 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -7.231 -4.782 7.487 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -9.077 -5.568 8.373 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -8.400 -4.460 8.133 1.00 0.00 N ATOM 0 H HIS A 71 -4.092 -7.344 4.995 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.046 -7.342 4.760 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.422 -8.060 6.980 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.215 -6.798 7.121 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.468 -4.091 7.160 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.034 -5.629 8.870 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.697 -3.518 8.386 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.111 -4.949 4.155 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.152 -3.560 3.712 1.00 0.00 C ATOM 1059 C ILE A 72 -7.775 -2.663 4.774 1.00 0.00 C ATOM 1060 O ILE A 72 -8.839 -2.969 5.315 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.945 -3.411 2.400 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.549 -4.511 1.412 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.710 -2.036 1.793 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -6.113 -4.418 0.947 1.00 0.00 C ATOM 0 H ILE A 72 -7.955 -5.484 3.948 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.120 -3.253 3.540 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.008 -3.512 2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.709 -5.483 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.207 -4.463 0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.277 -1.946 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.036 -1.268 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.648 -1.908 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.903 -5.229 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.953 -3.461 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.447 -4.497 1.806 1.00 0.00 H new ATOM 1076 N SER A 73 -7.108 -1.551 5.070 1.00 0.00 N ATOM 1077 CA SER A 73 -7.596 -0.609 6.070 1.00 0.00 C ATOM 1078 C SER A 73 -7.332 0.829 5.636 1.00 0.00 C ATOM 1079 O SER A 73 -6.595 1.075 4.682 1.00 0.00 O ATOM 1080 CB SER A 73 -6.931 -0.877 7.421 1.00 0.00 C ATOM 1081 OG SER A 73 -7.889 -0.915 8.464 1.00 0.00 O ATOM 0 H SER A 73 -6.228 -1.281 4.631 1.00 0.00 H new ATOM 0 HA SER A 73 -8.673 -0.748 6.170 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.393 -1.824 7.383 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.195 -0.100 7.628 1.00 0.00 H new ATOM 0 HG SER A 73 -7.438 -1.089 9.316 1.00 0.00 H new ATOM 1087 N ASN A 74 -7.941 1.776 6.344 1.00 0.00 N ATOM 1088 CA ASN A 74 -7.772 3.190 6.031 1.00 0.00 C ATOM 1089 C ASN A 74 -7.297 3.965 7.258 1.00 0.00 C ATOM 1090 O ASN A 74 -8.054 4.172 8.205 1.00 0.00 O ATOM 1091 CB ASN A 74 -9.088 3.781 5.520 1.00 0.00 C ATOM 1092 CG ASN A 74 -9.092 5.297 5.555 1.00 0.00 C ATOM 1093 OD1 ASN A 74 -9.878 5.910 6.278 1.00 0.00 O ATOM 1094 ND2 ASN A 74 -8.214 5.909 4.770 1.00 0.00 N ATOM 0 H ASN A 74 -8.555 1.589 7.137 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.015 3.277 5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.263 3.443 4.498 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.912 3.404 6.126 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.172 6.928 4.749 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.582 5.360 4.187 1.00 0.00 H new ATOM 1101 N ALA A 75 -6.038 4.389 7.231 1.00 0.00 N ATOM 1102 CA ALA A 75 -5.462 5.143 8.337 1.00 0.00 C ATOM 1103 C ALA A 75 -4.647 6.328 7.830 1.00 0.00 C ATOM 1104 O ALA A 75 -4.115 6.296 6.720 1.00 0.00 O ATOM 1105 CB ALA A 75 -4.598 4.236 9.200 1.00 0.00 C ATOM 0 H ALA A 75 -5.397 4.223 6.455 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.280 5.532 8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.174 4.812 10.022 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.208 3.426 9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.792 3.819 8.596 1.00 0.00 H new ATOM 1111 N GLU A 76 -4.554 7.371 8.649 1.00 0.00 N ATOM 1112 CA GLU A 76 -3.804 8.566 8.280 1.00 0.00 C ATOM 1113 C GLU A 76 -3.018 9.104 9.473 1.00 0.00 C ATOM 1114 O GLU A 76 -3.516 9.899 10.269 1.00 0.00 O ATOM 1115 CB GLU A 76 -4.750 9.645 7.751 1.00 0.00 C ATOM 1116 CG GLU A 76 -5.609 9.183 6.586 1.00 0.00 C ATOM 1117 CD GLU A 76 -6.845 10.041 6.395 1.00 0.00 C ATOM 1118 OE1 GLU A 76 -6.797 11.237 6.755 1.00 0.00 O ATOM 1119 OE2 GLU A 76 -7.858 9.519 5.886 1.00 0.00 O ATOM 0 H GLU A 76 -4.988 7.413 9.571 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.099 8.294 7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.399 9.976 8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.164 10.509 7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.015 9.200 5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.911 8.149 6.750 1.00 0.00 H new ATOM 1126 N PRO A 77 -1.758 8.659 9.600 1.00 0.00 N ATOM 1127 CA PRO A 77 -0.875 9.082 10.691 1.00 0.00 C ATOM 1128 C PRO A 77 -0.452 10.540 10.562 1.00 0.00 C ATOM 1129 O PRO A 77 -0.592 11.148 9.499 1.00 0.00 O ATOM 1130 CB PRO A 77 0.336 8.157 10.546 1.00 0.00 C ATOM 1131 CG PRO A 77 0.343 7.766 9.109 1.00 0.00 C ATOM 1132 CD PRO A 77 -1.099 7.709 8.687 1.00 0.00 C ATOM 0 HA PRO A 77 -1.365 9.015 11.662 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.259 8.667 10.822 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.248 7.285 11.193 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.896 8.490 8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.829 6.800 8.970 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.225 8.000 7.644 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.508 6.704 8.789 1.00 0.00 H new ATOM 1140 N LYS A 78 0.068 11.100 11.649 1.00 0.00 N ATOM 1141 CA LYS A 78 0.515 12.488 11.657 1.00 0.00 C ATOM 1142 C LYS A 78 1.714 12.679 10.734 1.00 0.00 C ATOM 1143 O LYS A 78 2.592 11.820 10.655 1.00 0.00 O ATOM 1144 CB LYS A 78 0.879 12.919 13.079 1.00 0.00 C ATOM 1145 CG LYS A 78 2.075 12.178 13.653 1.00 0.00 C ATOM 1146 CD LYS A 78 2.529 12.786 14.969 1.00 0.00 C ATOM 1147 CE LYS A 78 2.755 11.717 16.028 1.00 0.00 C ATOM 1148 NZ LYS A 78 1.484 11.317 16.692 1.00 0.00 N ATOM 0 H LYS A 78 0.190 10.613 12.537 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.303 13.109 11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.089 13.989 13.083 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.018 12.761 13.729 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.816 11.130 13.806 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.897 12.202 12.937 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.451 13.346 14.813 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.780 13.496 15.321 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.216 10.842 15.569 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.454 12.089 16.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.680 10.587 17.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.057 12.146 17.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.826 10.938 15.982 1.00 0.00 H new ATOM 1162 N HIS A 79 1.744 13.811 10.037 1.00 0.00 N ATOM 1163 CA HIS A 79 2.837 14.115 9.121 1.00 0.00 C ATOM 1164 C HIS A 79 3.162 15.606 9.139 1.00 0.00 C ATOM 1165 O HIS A 79 2.536 16.396 8.433 1.00 0.00 O ATOM 1166 CB HIS A 79 2.477 13.677 7.701 1.00 0.00 C ATOM 1167 CG HIS A 79 3.436 12.684 7.119 1.00 0.00 C ATOM 1168 ND1 HIS A 79 3.663 12.563 5.765 1.00 0.00 N ATOM 1169 CD2 HIS A 79 4.229 11.765 7.717 1.00 0.00 C ATOM 1170 CE1 HIS A 79 4.554 11.609 5.554 1.00 0.00 C ATOM 1171 NE2 HIS A 79 4.914 11.109 6.722 1.00 0.00 N ATOM 0 H HIS A 79 1.024 14.532 10.089 1.00 0.00 H new ATOM 0 HA HIS A 79 3.718 13.565 9.451 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.477 13.244 7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.441 14.556 7.057 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.309 11.581 8.778 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.924 11.293 4.590 1.00 0.00 H new ATOM 0 HE2 HIS A 79 5.590 10.358 6.863 1.00 0.00 H new ATOM 1179 N ASN A 80 4.145 15.983 9.951 1.00 0.00 N ATOM 1180 CA ASN A 80 4.551 17.379 10.062 1.00 0.00 C ATOM 1181 C ASN A 80 5.759 17.522 10.984 1.00 0.00 C ATOM 1182 O ASN A 80 6.002 16.673 11.842 1.00 0.00 O ATOM 1183 CB ASN A 80 3.393 18.229 10.586 1.00 0.00 C ATOM 1184 CG ASN A 80 2.960 19.291 9.593 1.00 0.00 C ATOM 1185 OD1 ASN A 80 3.511 19.394 8.497 1.00 0.00 O ATOM 1186 ND2 ASN A 80 1.969 20.088 9.975 1.00 0.00 N ATOM 0 H ASN A 80 4.675 15.341 10.541 1.00 0.00 H new ATOM 0 HA ASN A 80 4.830 17.730 9.069 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.546 17.582 10.815 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.690 18.707 11.519 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.635 20.822 9.350 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.542 19.966 10.893 1.00 0.00 H new ATOM 1193 N SER A 81 6.511 18.602 10.801 1.00 0.00 N ATOM 1194 CA SER A 81 7.696 18.855 11.613 1.00 0.00 C ATOM 1195 C SER A 81 8.114 20.320 11.522 1.00 0.00 C ATOM 1196 O SER A 81 7.525 21.099 10.775 1.00 0.00 O ATOM 1197 CB SER A 81 8.850 17.955 11.166 1.00 0.00 C ATOM 1198 OG SER A 81 9.269 18.280 9.851 1.00 0.00 O ATOM 0 H SER A 81 6.321 19.316 10.098 1.00 0.00 H new ATOM 0 HA SER A 81 7.450 18.629 12.650 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.688 18.063 11.855 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.538 16.911 11.204 1.00 0.00 H new ATOM 0 HG SER A 81 10.008 17.693 9.589 1.00 0.00 H new ATOM 1204 N ASN A 82 9.135 20.686 12.290 1.00 0.00 N ATOM 1205 CA ASN A 82 9.633 22.056 12.299 1.00 0.00 C ATOM 1206 C ASN A 82 10.713 22.237 13.361 1.00 0.00 C ATOM 1207 O ASN A 82 11.855 22.573 13.049 1.00 0.00 O ATOM 1208 CB ASN A 82 8.485 23.036 12.550 1.00 0.00 C ATOM 1209 CG ASN A 82 8.933 24.270 13.309 1.00 0.00 C ATOM 1210 OD1 ASN A 82 9.566 25.163 12.745 1.00 0.00 O ATOM 1211 ND2 ASN A 82 8.607 24.325 14.595 1.00 0.00 N ATOM 0 H ASN A 82 9.634 20.052 12.914 1.00 0.00 H new ATOM 0 HA ASN A 82 10.072 22.263 11.323 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.053 23.337 11.596 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.698 22.533 13.112 1.00 0.00 H new ATOM 0 HD21 ASN A 82 8.882 25.131 15.157 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.081 23.562 15.021 1.00 0.00 H new ATOM 1218 N SER A 83 10.343 22.010 14.618 1.00 0.00 N ATOM 1219 CA SER A 83 11.278 22.151 15.727 1.00 0.00 C ATOM 1220 C SER A 83 12.430 21.160 15.595 1.00 0.00 C ATOM 1221 O SER A 83 12.234 20.011 15.202 1.00 0.00 O ATOM 1222 CB SER A 83 10.558 21.938 17.059 1.00 0.00 C ATOM 1223 OG SER A 83 10.141 23.173 17.617 1.00 0.00 O ATOM 0 H SER A 83 9.402 21.728 14.893 1.00 0.00 H new ATOM 0 HA SER A 83 11.686 23.162 15.700 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.693 21.293 16.909 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.221 21.426 17.756 1.00 0.00 H new ATOM 0 HG SER A 83 9.682 23.009 18.467 1.00 0.00 H new ATOM 1229 N GLY A 84 13.635 21.614 15.927 1.00 0.00 N ATOM 1230 CA GLY A 84 14.802 20.756 15.839 1.00 0.00 C ATOM 1231 C GLY A 84 16.098 21.540 15.816 1.00 0.00 C ATOM 1232 O GLY A 84 16.169 22.649 15.286 1.00 0.00 O ATOM 0 H GLY A 84 13.824 22.561 16.255 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.810 20.071 16.687 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.734 20.147 14.938 1.00 0.00 H new ATOM 1236 N PRO A 85 17.156 20.961 16.403 1.00 0.00 N ATOM 1237 CA PRO A 85 18.476 21.597 16.461 1.00 0.00 C ATOM 1238 C PRO A 85 19.148 21.665 15.095 1.00 0.00 C ATOM 1239 O PRO A 85 18.872 20.848 14.216 1.00 0.00 O ATOM 1240 CB PRO A 85 19.267 20.684 17.402 1.00 0.00 C ATOM 1241 CG PRO A 85 18.603 19.356 17.289 1.00 0.00 C ATOM 1242 CD PRO A 85 17.145 19.640 17.054 1.00 0.00 C ATOM 0 HA PRO A 85 18.416 22.632 16.799 1.00 0.00 H new ATOM 0 HB2 PRO A 85 20.316 20.628 17.110 1.00 0.00 H new ATOM 0 HB3 PRO A 85 19.241 21.054 18.427 1.00 0.00 H new ATOM 0 HG2 PRO A 85 19.025 18.777 16.467 1.00 0.00 H new ATOM 0 HG3 PRO A 85 18.745 18.770 18.197 1.00 0.00 H new ATOM 0 HD2 PRO A 85 16.685 18.883 16.419 1.00 0.00 H new ATOM 0 HD3 PRO A 85 16.583 19.657 17.988 1.00 0.00 H new ATOM 1250 N SER A 86 20.032 22.642 14.923 1.00 0.00 N ATOM 1251 CA SER A 86 20.741 22.818 13.661 1.00 0.00 C ATOM 1252 C SER A 86 22.203 22.405 13.798 1.00 0.00 C ATOM 1253 O SER A 86 23.017 23.138 14.359 1.00 0.00 O ATOM 1254 CB SER A 86 20.652 24.274 13.200 1.00 0.00 C ATOM 1255 OG SER A 86 21.127 24.420 11.874 1.00 0.00 O ATOM 0 H SER A 86 20.275 23.324 15.642 1.00 0.00 H new ATOM 0 HA SER A 86 20.269 22.179 12.915 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.618 24.614 13.259 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.234 24.907 13.870 1.00 0.00 H new ATOM 0 HG SER A 86 21.058 25.359 11.603 1.00 0.00 H new ATOM 1261 N SER A 87 22.528 21.224 13.280 1.00 0.00 N ATOM 1262 CA SER A 87 23.891 20.709 13.346 1.00 0.00 C ATOM 1263 C SER A 87 24.612 20.906 12.017 1.00 0.00 C ATOM 1264 O SER A 87 25.683 21.508 11.960 1.00 0.00 O ATOM 1265 CB SER A 87 23.881 19.226 13.721 1.00 0.00 C ATOM 1266 OG SER A 87 24.627 18.993 14.902 1.00 0.00 O ATOM 0 H SER A 87 21.866 20.606 12.810 1.00 0.00 H new ATOM 0 HA SER A 87 24.427 21.266 14.114 1.00 0.00 H new ATOM 0 HB2 SER A 87 22.854 18.891 13.864 1.00 0.00 H new ATOM 0 HB3 SER A 87 24.297 18.638 12.903 1.00 0.00 H new ATOM 0 HG SER A 87 24.603 18.038 15.121 1.00 0.00 H new ATOM 1272 N GLY A 88 24.015 20.390 10.945 1.00 0.00 N ATOM 1273 CA GLY A 88 24.612 20.519 9.630 1.00 0.00 C ATOM 1274 C GLY A 88 23.701 20.018 8.527 1.00 0.00 C ATOM 1275 O GLY A 88 22.525 20.378 8.473 1.00 0.00 O ATOM 0 H GLY A 88 23.129 19.885 10.966 1.00 0.00 H new ATOM 0 HA2 GLY A 88 24.857 21.565 9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 88 25.549 19.963 9.604 1.00 0.00 H new TER 1279 GLY A 88