USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 759 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 13 GLN : amide:sc= 0.2 K(o=1.8,f=-4.9!) USER MOD Set 1.2: A 88 SER OG : rot 67:sc= 1.59 USER MOD Set 2.1: A 42 LYS NZ :NH3+ -160:sc= 0.0236 (180deg=-0.239) USER MOD Set 2.2: A 55 TYR OH : rot 30:sc= 0.0502 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 37:sc= 0.0953 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 152:sc= -0.865 (180deg=-1.93) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0.0122 (180deg=0.0108) USER MOD Single : A 17 THR OG1 : rot 50:sc= 0.25 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.321 USER MOD Single : A 29 CYS SG : rot -112:sc= -0.163 USER MOD Single : A 32 SER OG : rot -100:sc= 0.783 USER MOD Single : A 37 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.221 K(o=-0.22,f=0.31) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -164:sc= 1.2 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -4.1! C(o=-4.1!,f=-4.2!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -103:sc= -0.619 (180deg=-2.56!) USER MOD Single : A 79 TYR OH : rot -15:sc= -0.552 USER MOD Single : A 80 SER OG : rot 180:sc= -0.69 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 122:sc= 0.109 USER MOD Single : A 84 THR OG1 : rot 145:sc= -0.697 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -125:sc=-0.00898 (180deg=-3.31!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0562 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.859 -10.204 7.308 1.00 0.00 N ATOM 2 CA GLY A 1 -32.193 -11.486 7.165 1.00 0.00 C ATOM 3 C GLY A 1 -31.297 -11.541 5.944 1.00 0.00 C ATOM 4 O GLY A 1 -30.102 -11.814 6.055 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.459 -10.217 8.157 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.147 -9.451 7.399 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.448 -10.024 6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.599 -11.685 8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.942 -12.275 7.098 1.00 0.00 H new ATOM 8 N SER A 2 -31.875 -11.283 4.775 1.00 0.00 N ATOM 9 CA SER A 2 -31.121 -11.310 3.527 1.00 0.00 C ATOM 10 C SER A 2 -30.451 -9.963 3.268 1.00 0.00 C ATOM 11 O SER A 2 -31.092 -9.017 2.813 1.00 0.00 O ATOM 12 CB SER A 2 -32.041 -11.668 2.359 1.00 0.00 C ATOM 13 OG SER A 2 -31.296 -12.148 1.252 1.00 0.00 O ATOM 0 H SER A 2 -32.863 -11.053 4.666 1.00 0.00 H new ATOM 0 HA SER A 2 -30.345 -12.071 3.616 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.758 -12.426 2.675 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.615 -10.790 2.062 1.00 0.00 H new ATOM 0 HG SER A 2 -31.907 -12.372 0.519 1.00 0.00 H new ATOM 19 N SER A 3 -29.157 -9.887 3.562 1.00 0.00 N ATOM 20 CA SER A 3 -28.400 -8.656 3.364 1.00 0.00 C ATOM 21 C SER A 3 -27.709 -8.656 2.004 1.00 0.00 C ATOM 22 O SER A 3 -26.666 -9.284 1.825 1.00 0.00 O ATOM 23 CB SER A 3 -27.363 -8.487 4.476 1.00 0.00 C ATOM 24 OG SER A 3 -26.831 -7.173 4.482 1.00 0.00 O ATOM 0 H SER A 3 -28.611 -10.662 3.938 1.00 0.00 H new ATOM 0 HA SER A 3 -29.098 -7.819 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.822 -8.701 5.441 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.557 -9.208 4.339 1.00 0.00 H new ATOM 0 HG SER A 3 -26.172 -7.090 5.203 1.00 0.00 H new ATOM 30 N GLY A 4 -28.299 -7.945 1.048 1.00 0.00 N ATOM 31 CA GLY A 4 -27.728 -7.876 -0.285 1.00 0.00 C ATOM 32 C GLY A 4 -26.278 -7.432 -0.271 1.00 0.00 C ATOM 33 O GLY A 4 -25.983 -6.259 -0.043 1.00 0.00 O ATOM 0 H GLY A 4 -29.162 -7.416 1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.801 -8.855 -0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.311 -7.183 -0.892 1.00 0.00 H new ATOM 37 N SER A 5 -25.371 -8.372 -0.514 1.00 0.00 N ATOM 38 CA SER A 5 -23.944 -8.073 -0.523 1.00 0.00 C ATOM 39 C SER A 5 -23.663 -6.786 -1.293 1.00 0.00 C ATOM 40 O SER A 5 -24.156 -6.595 -2.404 1.00 0.00 O ATOM 41 CB SER A 5 -23.162 -9.233 -1.144 1.00 0.00 C ATOM 42 OG SER A 5 -23.585 -9.479 -2.474 1.00 0.00 O ATOM 0 H SER A 5 -25.599 -9.347 -0.707 1.00 0.00 H new ATOM 0 HA SER A 5 -23.620 -7.937 0.509 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.096 -9.004 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.300 -10.132 -0.543 1.00 0.00 H new ATOM 0 HG SER A 5 -23.797 -8.629 -2.912 1.00 0.00 H new ATOM 48 N SER A 6 -22.868 -5.906 -0.693 1.00 0.00 N ATOM 49 CA SER A 6 -22.524 -4.635 -1.319 1.00 0.00 C ATOM 50 C SER A 6 -21.013 -4.432 -1.341 1.00 0.00 C ATOM 51 O SER A 6 -20.295 -4.929 -0.474 1.00 0.00 O ATOM 52 CB SER A 6 -23.195 -3.478 -0.575 1.00 0.00 C ATOM 53 OG SER A 6 -22.652 -3.324 0.725 1.00 0.00 O ATOM 0 H SER A 6 -22.450 -6.050 0.226 1.00 0.00 H new ATOM 0 HA SER A 6 -22.885 -4.655 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.064 -2.554 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.267 -3.660 -0.505 1.00 0.00 H new ATOM 0 HG SER A 6 -23.096 -2.578 1.179 1.00 0.00 H new ATOM 59 N GLY A 7 -20.535 -3.696 -2.340 1.00 0.00 N ATOM 60 CA GLY A 7 -19.112 -3.439 -2.459 1.00 0.00 C ATOM 61 C GLY A 7 -18.573 -2.620 -1.303 1.00 0.00 C ATOM 62 O GLY A 7 -19.337 -2.134 -0.468 1.00 0.00 O ATOM 0 H GLY A 7 -21.109 -3.273 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.577 -4.388 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.918 -2.914 -3.394 1.00 0.00 H new ATOM 66 N ILE A 8 -17.254 -2.468 -1.252 1.00 0.00 N ATOM 67 CA ILE A 8 -16.614 -1.702 -0.189 1.00 0.00 C ATOM 68 C ILE A 8 -15.985 -0.424 -0.735 1.00 0.00 C ATOM 69 O ILE A 8 -15.307 -0.443 -1.761 1.00 0.00 O ATOM 70 CB ILE A 8 -15.530 -2.530 0.526 1.00 0.00 C ATOM 71 CG1 ILE A 8 -16.154 -3.752 1.203 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.794 -1.671 1.544 1.00 0.00 C ATOM 73 CD1 ILE A 8 -15.134 -4.739 1.727 1.00 0.00 C ATOM 0 H ILE A 8 -16.608 -2.865 -1.934 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.393 -1.443 0.528 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.811 -2.878 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.782 -3.418 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.806 -4.259 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -14.031 -2.270 2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.322 -0.830 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.502 -1.297 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.647 -5.579 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.521 -5.101 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.498 -4.248 2.463 1.00 0.00 H new ATOM 85 N MET A 9 -16.214 0.685 -0.039 1.00 0.00 N ATOM 86 CA MET A 9 -15.667 1.972 -0.452 1.00 0.00 C ATOM 87 C MET A 9 -14.529 2.400 0.469 1.00 0.00 C ATOM 88 O MET A 9 -14.498 2.036 1.645 1.00 0.00 O ATOM 89 CB MET A 9 -16.764 3.039 -0.455 1.00 0.00 C ATOM 90 CG MET A 9 -18.089 2.547 -1.016 1.00 0.00 C ATOM 91 SD MET A 9 -18.008 2.197 -2.783 1.00 0.00 S ATOM 92 CE MET A 9 -18.627 0.517 -2.825 1.00 0.00 C ATOM 0 H MET A 9 -16.774 0.718 0.813 1.00 0.00 H new ATOM 0 HA MET A 9 -15.272 1.863 -1.462 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.919 3.392 0.565 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.426 3.894 -1.040 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.392 1.645 -0.484 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.858 3.298 -0.833 1.00 0.00 H new ATOM 0 HE1 MET A 9 -19.100 0.328 -3.789 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.800 -0.179 -2.684 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.358 0.379 -2.028 1.00 0.00 H new ATOM 102 N VAL A 10 -13.594 3.174 -0.073 1.00 0.00 N ATOM 103 CA VAL A 10 -12.454 3.651 0.700 1.00 0.00 C ATOM 104 C VAL A 10 -12.766 4.983 1.373 1.00 0.00 C ATOM 105 O VAL A 10 -12.698 6.040 0.745 1.00 0.00 O ATOM 106 CB VAL A 10 -11.205 3.816 -0.185 1.00 0.00 C ATOM 107 CG1 VAL A 10 -10.030 4.323 0.638 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.860 2.501 -0.869 1.00 0.00 C ATOM 0 H VAL A 10 -13.604 3.484 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.252 2.899 1.463 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.422 4.555 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.156 4.433 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.282 5.289 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.808 3.611 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.975 2.635 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.661 1.740 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.696 2.185 -1.492 1.00 0.00 H new ATOM 118 N THR A 11 -13.107 4.926 2.657 1.00 0.00 N ATOM 119 CA THR A 11 -13.430 6.128 3.416 1.00 0.00 C ATOM 120 C THR A 11 -12.208 7.026 3.569 1.00 0.00 C ATOM 121 O THR A 11 -12.274 8.229 3.315 1.00 0.00 O ATOM 122 CB THR A 11 -13.975 5.779 4.814 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.956 5.141 5.592 1.00 0.00 O ATOM 124 CG2 THR A 11 -15.187 4.866 4.710 1.00 0.00 C ATOM 0 H THR A 11 -13.167 4.060 3.193 1.00 0.00 H new ATOM 0 HA THR A 11 -14.200 6.659 2.856 1.00 0.00 H new ATOM 0 HB THR A 11 -14.278 6.705 5.303 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.310 4.924 6.480 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.554 4.633 5.710 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.972 5.366 4.143 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.905 3.943 4.203 1.00 0.00 H new ATOM 132 N LYS A 12 -11.093 6.435 3.984 1.00 0.00 N ATOM 133 CA LYS A 12 -9.854 7.182 4.169 1.00 0.00 C ATOM 134 C LYS A 12 -8.851 6.852 3.069 1.00 0.00 C ATOM 135 O LYS A 12 -8.148 5.845 3.140 1.00 0.00 O ATOM 136 CB LYS A 12 -9.246 6.870 5.539 1.00 0.00 C ATOM 137 CG LYS A 12 -8.228 7.897 6.000 1.00 0.00 C ATOM 138 CD LYS A 12 -7.732 7.599 7.406 1.00 0.00 C ATOM 139 CE LYS A 12 -6.648 8.576 7.833 1.00 0.00 C ATOM 140 NZ LYS A 12 -6.163 8.297 9.213 1.00 0.00 N ATOM 0 H LYS A 12 -11.022 5.440 4.199 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.088 8.245 4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.046 6.807 6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.770 5.890 5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.384 7.909 5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.675 8.891 5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.566 7.651 8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.343 6.582 7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.812 8.519 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.036 9.593 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.487 9.034 9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.969 8.293 9.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.694 7.369 9.235 1.00 0.00 H new ATOM 154 N GLN A 13 -8.790 7.708 2.054 1.00 0.00 N ATOM 155 CA GLN A 13 -7.872 7.507 0.939 1.00 0.00 C ATOM 156 C GLN A 13 -6.425 7.684 1.387 1.00 0.00 C ATOM 157 O GLN A 13 -6.150 8.355 2.383 1.00 0.00 O ATOM 158 CB GLN A 13 -8.190 8.483 -0.194 1.00 0.00 C ATOM 159 CG GLN A 13 -9.592 8.322 -0.761 1.00 0.00 C ATOM 160 CD GLN A 13 -9.650 7.320 -1.897 1.00 0.00 C ATOM 161 OE1 GLN A 13 -8.656 7.087 -2.586 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.817 6.721 -2.100 1.00 0.00 N ATOM 0 H GLN A 13 -9.365 8.547 1.981 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.999 6.487 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.070 9.503 0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.465 8.345 -0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.267 8.004 0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.950 9.289 -1.115 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.615 6.944 -1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.916 6.038 -2.851 1.00 0.00 H new ATOM 171 N LEU A 14 -5.503 7.079 0.647 1.00 0.00 N ATOM 172 CA LEU A 14 -4.083 7.169 0.968 1.00 0.00 C ATOM 173 C LEU A 14 -3.584 8.604 0.830 1.00 0.00 C ATOM 174 O LEU A 14 -4.130 9.389 0.055 1.00 0.00 O ATOM 175 CB LEU A 14 -3.274 6.246 0.056 1.00 0.00 C ATOM 176 CG LEU A 14 -3.604 4.756 0.146 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.141 4.030 -1.108 1.00 0.00 C ATOM 178 CD2 LEU A 14 -2.968 4.143 1.385 1.00 0.00 C ATOM 0 H LEU A 14 -5.713 6.520 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.949 6.855 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.420 6.568 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.216 6.378 0.285 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.686 4.647 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.384 2.971 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.643 4.451 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.063 4.147 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.213 3.082 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.886 4.263 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.349 4.644 2.275 1.00 0.00 H new ATOM 190 N GLU A 15 -2.542 8.938 1.586 1.00 0.00 N ATOM 191 CA GLU A 15 -1.969 10.279 1.546 1.00 0.00 C ATOM 192 C GLU A 15 -0.493 10.228 1.161 1.00 0.00 C ATOM 193 O GLU A 15 0.282 9.460 1.731 1.00 0.00 O ATOM 194 CB GLU A 15 -2.130 10.967 2.903 1.00 0.00 C ATOM 195 CG GLU A 15 -3.534 11.491 3.156 1.00 0.00 C ATOM 196 CD GLU A 15 -3.678 12.137 4.521 1.00 0.00 C ATOM 197 OE1 GLU A 15 -2.896 13.063 4.823 1.00 0.00 O ATOM 198 OE2 GLU A 15 -4.571 11.718 5.286 1.00 0.00 O ATOM 0 H GLU A 15 -2.078 8.300 2.232 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.505 10.853 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.866 10.262 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.425 11.796 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.791 12.218 2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.245 10.670 3.070 1.00 0.00 H new ATOM 205 N ASP A 16 -0.113 11.051 0.190 1.00 0.00 N ATOM 206 CA ASP A 16 1.270 11.102 -0.271 1.00 0.00 C ATOM 207 C ASP A 16 2.238 11.020 0.904 1.00 0.00 C ATOM 208 O ASP A 16 2.055 11.688 1.923 1.00 0.00 O ATOM 209 CB ASP A 16 1.518 12.386 -1.064 1.00 0.00 C ATOM 210 CG ASP A 16 2.982 12.780 -1.083 1.00 0.00 C ATOM 211 OD1 ASP A 16 3.453 13.364 -0.084 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.657 12.504 -2.096 1.00 0.00 O ATOM 0 H ASP A 16 -0.743 11.692 -0.293 1.00 0.00 H new ATOM 0 HA ASP A 16 1.443 10.244 -0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.168 12.251 -2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.932 13.196 -0.631 1.00 0.00 H new ATOM 217 N THR A 17 3.270 10.194 0.758 1.00 0.00 N ATOM 218 CA THR A 17 4.267 10.022 1.807 1.00 0.00 C ATOM 219 C THR A 17 5.680 10.151 1.250 1.00 0.00 C ATOM 220 O THR A 17 5.960 9.717 0.132 1.00 0.00 O ATOM 221 CB THR A 17 4.123 8.654 2.500 1.00 0.00 C ATOM 222 OG1 THR A 17 2.819 8.533 3.080 1.00 0.00 O ATOM 223 CG2 THR A 17 5.181 8.480 3.579 1.00 0.00 C ATOM 0 H THR A 17 3.437 9.633 -0.078 1.00 0.00 H new ATOM 0 HA THR A 17 4.095 10.811 2.539 1.00 0.00 H new ATOM 0 HB THR A 17 4.260 7.875 1.750 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.141 8.766 2.412 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.059 7.507 4.054 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.172 8.543 3.130 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.071 9.265 4.327 1.00 0.00 H new ATOM 231 N THR A 18 6.569 10.749 2.037 1.00 0.00 N ATOM 232 CA THR A 18 7.954 10.935 1.622 1.00 0.00 C ATOM 233 C THR A 18 8.915 10.265 2.598 1.00 0.00 C ATOM 234 O THR A 18 9.137 10.760 3.702 1.00 0.00 O ATOM 235 CB THR A 18 8.311 12.429 1.511 1.00 0.00 C ATOM 236 OG1 THR A 18 7.418 13.080 0.601 1.00 0.00 O ATOM 237 CG2 THR A 18 9.746 12.609 1.038 1.00 0.00 C ATOM 0 H THR A 18 6.354 11.113 2.965 1.00 0.00 H new ATOM 0 HA THR A 18 8.055 10.471 0.641 1.00 0.00 H new ATOM 0 HB THR A 18 8.212 12.878 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.651 14.030 0.537 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.975 13.672 0.967 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.425 12.138 1.749 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.867 12.146 0.059 1.00 0.00 H new ATOM 245 N ALA A 19 9.482 9.138 2.182 1.00 0.00 N ATOM 246 CA ALA A 19 10.422 8.402 3.019 1.00 0.00 C ATOM 247 C ALA A 19 11.842 8.507 2.474 1.00 0.00 C ATOM 248 O ALA A 19 12.083 9.175 1.468 1.00 0.00 O ATOM 249 CB ALA A 19 10.003 6.943 3.127 1.00 0.00 C ATOM 0 H ALA A 19 9.307 8.714 1.271 1.00 0.00 H new ATOM 0 HA ALA A 19 10.409 8.847 4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.714 6.406 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.009 6.882 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.986 6.495 2.133 1.00 0.00 H new ATOM 255 N TYR A 20 12.779 7.845 3.143 1.00 0.00 N ATOM 256 CA TYR A 20 14.176 7.867 2.727 1.00 0.00 C ATOM 257 C TYR A 20 14.613 6.498 2.215 1.00 0.00 C ATOM 258 O TYR A 20 13.988 5.481 2.517 1.00 0.00 O ATOM 259 CB TYR A 20 15.070 8.299 3.891 1.00 0.00 C ATOM 260 CG TYR A 20 14.876 9.742 4.300 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.263 10.780 3.462 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.306 10.066 5.525 1.00 0.00 C ATOM 263 CE1 TYR A 20 15.089 12.099 3.832 1.00 0.00 C ATOM 264 CE2 TYR A 20 14.127 11.383 5.903 1.00 0.00 C ATOM 265 CZ TYR A 20 14.520 12.396 5.054 1.00 0.00 C ATOM 266 OH TYR A 20 14.344 13.709 5.426 1.00 0.00 O ATOM 0 H TYR A 20 12.596 7.286 3.976 1.00 0.00 H new ATOM 0 HA TYR A 20 14.276 8.587 1.915 1.00 0.00 H new ATOM 0 HB2 TYR A 20 14.871 7.657 4.749 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.113 8.146 3.614 1.00 0.00 H new ATOM 0 HD1 TYR A 20 15.708 10.552 2.505 1.00 0.00 H new ATOM 0 HD2 TYR A 20 13.998 9.275 6.193 1.00 0.00 H new ATOM 0 HE1 TYR A 20 15.396 12.894 3.169 1.00 0.00 H new ATOM 0 HE2 TYR A 20 13.682 11.618 6.858 1.00 0.00 H new ATOM 0 HH TYR A 20 13.930 13.745 6.313 1.00 0.00 H new ATOM 276 N CYS A 21 15.692 6.481 1.440 1.00 0.00 N ATOM 277 CA CYS A 21 16.215 5.238 0.886 1.00 0.00 C ATOM 278 C CYS A 21 16.624 4.276 1.997 1.00 0.00 C ATOM 279 O CYS A 21 17.548 4.550 2.761 1.00 0.00 O ATOM 280 CB CYS A 21 17.412 5.524 -0.023 1.00 0.00 C ATOM 281 SG CYS A 21 17.912 4.121 -1.049 1.00 0.00 S ATOM 0 H CYS A 21 16.221 7.314 1.181 1.00 0.00 H new ATOM 0 HA CYS A 21 15.425 4.771 0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.169 6.366 -0.671 1.00 0.00 H new ATOM 0 HB3 CYS A 21 18.258 5.829 0.593 1.00 0.00 H new ATOM 0 HG CYS A 21 18.929 4.461 -1.783 1.00 0.00 H new ATOM 287 N GLY A 22 15.926 3.147 2.082 1.00 0.00 N ATOM 288 CA GLY A 22 16.230 2.163 3.104 1.00 0.00 C ATOM 289 C GLY A 22 15.265 2.223 4.271 1.00 0.00 C ATOM 290 O GLY A 22 15.035 1.220 4.946 1.00 0.00 O ATOM 0 H GLY A 22 15.156 2.897 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.202 1.166 2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.245 2.323 3.467 1.00 0.00 H new ATOM 294 N GLU A 23 14.701 3.402 4.511 1.00 0.00 N ATOM 295 CA GLU A 23 13.758 3.589 5.607 1.00 0.00 C ATOM 296 C GLU A 23 12.526 2.708 5.421 1.00 0.00 C ATOM 297 O GLU A 23 12.305 2.150 4.346 1.00 0.00 O ATOM 298 CB GLU A 23 13.338 5.057 5.705 1.00 0.00 C ATOM 299 CG GLU A 23 14.224 5.883 6.622 1.00 0.00 C ATOM 300 CD GLU A 23 14.357 5.277 8.006 1.00 0.00 C ATOM 301 OE1 GLU A 23 15.271 4.451 8.206 1.00 0.00 O ATOM 302 OE2 GLU A 23 13.547 5.630 8.888 1.00 0.00 O ATOM 0 H GLU A 23 14.881 4.242 3.961 1.00 0.00 H new ATOM 0 HA GLU A 23 14.255 3.299 6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.351 5.497 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.310 5.109 6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.213 5.979 6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.814 6.889 6.708 1.00 0.00 H new ATOM 309 N ARG A 24 11.726 2.588 6.476 1.00 0.00 N ATOM 310 CA ARG A 24 10.518 1.774 6.430 1.00 0.00 C ATOM 311 C ARG A 24 9.303 2.624 6.068 1.00 0.00 C ATOM 312 O ARG A 24 9.025 3.635 6.713 1.00 0.00 O ATOM 313 CB ARG A 24 10.289 1.086 7.777 1.00 0.00 C ATOM 314 CG ARG A 24 8.893 0.506 7.936 1.00 0.00 C ATOM 315 CD ARG A 24 8.560 0.247 9.397 1.00 0.00 C ATOM 316 NE ARG A 24 9.292 1.139 10.292 1.00 0.00 N ATOM 317 CZ ARG A 24 8.925 2.391 10.543 1.00 0.00 C ATOM 318 NH1 ARG A 24 7.841 2.895 9.971 1.00 0.00 N ATOM 319 NH2 ARG A 24 9.643 3.141 11.369 1.00 0.00 N ATOM 0 H ARG A 24 11.893 3.044 7.373 1.00 0.00 H new ATOM 0 HA ARG A 24 10.651 1.014 5.660 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.021 0.287 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.468 1.804 8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.162 1.194 7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.819 -0.425 7.374 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.489 0.376 9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.796 -0.788 9.644 1.00 0.00 H new ATOM 0 HE ARG A 24 10.131 0.781 10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.286 2.321 9.336 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.562 3.857 10.166 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.478 2.757 11.812 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.360 4.102 11.561 1.00 0.00 H new ATOM 333 N VAL A 25 8.583 2.206 5.032 1.00 0.00 N ATOM 334 CA VAL A 25 7.398 2.928 4.584 1.00 0.00 C ATOM 335 C VAL A 25 6.122 2.215 5.019 1.00 0.00 C ATOM 336 O VAL A 25 5.968 1.014 4.804 1.00 0.00 O ATOM 337 CB VAL A 25 7.385 3.091 3.053 1.00 0.00 C ATOM 338 CG1 VAL A 25 6.159 3.875 2.609 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.661 3.769 2.579 1.00 0.00 C ATOM 0 H VAL A 25 8.799 1.371 4.487 1.00 0.00 H new ATOM 0 HA VAL A 25 7.435 3.914 5.047 1.00 0.00 H new ATOM 0 HB VAL A 25 7.337 2.101 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.167 3.980 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.257 3.345 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.173 4.863 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.635 3.876 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.742 4.754 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.522 3.164 2.863 1.00 0.00 H new ATOM 349 N GLU A 26 5.211 2.965 5.632 1.00 0.00 N ATOM 350 CA GLU A 26 3.949 2.403 6.098 1.00 0.00 C ATOM 351 C GLU A 26 2.772 3.267 5.655 1.00 0.00 C ATOM 352 O GLU A 26 2.638 4.417 6.076 1.00 0.00 O ATOM 353 CB GLU A 26 3.955 2.273 7.622 1.00 0.00 C ATOM 354 CG GLU A 26 4.815 1.129 8.132 1.00 0.00 C ATOM 355 CD GLU A 26 4.693 0.930 9.631 1.00 0.00 C ATOM 356 OE1 GLU A 26 4.773 1.933 10.371 1.00 0.00 O ATOM 357 OE2 GLU A 26 4.516 -0.228 10.063 1.00 0.00 O ATOM 0 H GLU A 26 5.323 3.962 5.817 1.00 0.00 H new ATOM 0 HA GLU A 26 3.837 1.413 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.312 3.207 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.932 2.130 7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.528 0.209 7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.857 1.322 7.879 1.00 0.00 H new ATOM 364 N LEU A 27 1.922 2.707 4.802 1.00 0.00 N ATOM 365 CA LEU A 27 0.756 3.425 4.300 1.00 0.00 C ATOM 366 C LEU A 27 -0.518 2.944 4.987 1.00 0.00 C ATOM 367 O LEU A 27 -0.896 1.779 4.867 1.00 0.00 O ATOM 368 CB LEU A 27 0.633 3.243 2.786 1.00 0.00 C ATOM 369 CG LEU A 27 1.882 3.571 1.967 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.741 3.046 0.546 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.137 5.071 1.960 1.00 0.00 C ATOM 0 H LEU A 27 2.018 1.757 4.443 1.00 0.00 H new ATOM 0 HA LEU A 27 0.889 4.484 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.353 2.209 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.185 3.869 2.430 1.00 0.00 H new ATOM 0 HG LEU A 27 2.737 3.080 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.639 3.288 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.607 1.964 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.875 3.508 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.030 5.286 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.281 5.583 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.283 5.420 2.982 1.00 0.00 H new ATOM 383 N GLU A 28 -1.176 3.849 5.705 1.00 0.00 N ATOM 384 CA GLU A 28 -2.408 3.515 6.409 1.00 0.00 C ATOM 385 C GLU A 28 -3.629 3.969 5.614 1.00 0.00 C ATOM 386 O GLU A 28 -3.568 4.944 4.865 1.00 0.00 O ATOM 387 CB GLU A 28 -2.420 4.162 7.796 1.00 0.00 C ATOM 388 CG GLU A 28 -3.396 3.513 8.762 1.00 0.00 C ATOM 389 CD GLU A 28 -3.791 4.434 9.900 1.00 0.00 C ATOM 390 OE1 GLU A 28 -4.614 5.344 9.669 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.276 4.244 11.022 1.00 0.00 O ATOM 0 H GLU A 28 -0.877 4.818 5.814 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.450 2.432 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.417 4.113 8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.672 5.218 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.291 3.209 8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.948 2.607 9.171 1.00 0.00 H new ATOM 398 N CYS A 29 -4.736 3.254 5.782 1.00 0.00 N ATOM 399 CA CYS A 29 -5.971 3.581 5.080 1.00 0.00 C ATOM 400 C CYS A 29 -7.167 2.900 5.737 1.00 0.00 C ATOM 401 O CYS A 29 -7.009 1.945 6.498 1.00 0.00 O ATOM 402 CB CYS A 29 -5.874 3.162 3.612 1.00 0.00 C ATOM 403 SG CYS A 29 -5.844 1.373 3.355 1.00 0.00 S ATOM 0 H CYS A 29 -4.803 2.444 6.398 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.115 4.660 5.134 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.721 3.582 3.069 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.972 3.595 3.181 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.678 1.019 2.902 1.00 0.00 H new ATOM 409 N GLU A 30 -8.363 3.398 5.439 1.00 0.00 N ATOM 410 CA GLU A 30 -9.586 2.838 6.004 1.00 0.00 C ATOM 411 C GLU A 30 -10.584 2.490 4.903 1.00 0.00 C ATOM 412 O GLU A 30 -10.471 2.967 3.774 1.00 0.00 O ATOM 413 CB GLU A 30 -10.218 3.825 6.987 1.00 0.00 C ATOM 414 CG GLU A 30 -9.736 3.652 8.418 1.00 0.00 C ATOM 415 CD GLU A 30 -10.652 4.318 9.426 1.00 0.00 C ATOM 416 OE1 GLU A 30 -11.047 5.479 9.193 1.00 0.00 O ATOM 417 OE2 GLU A 30 -10.972 3.677 10.449 1.00 0.00 O ATOM 0 H GLU A 30 -8.511 4.187 4.810 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.325 1.923 6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.999 4.841 6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.301 3.708 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.662 2.589 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.733 4.069 8.513 1.00 0.00 H new ATOM 424 N VAL A 31 -11.560 1.654 5.241 1.00 0.00 N ATOM 425 CA VAL A 31 -12.579 1.241 4.283 1.00 0.00 C ATOM 426 C VAL A 31 -13.980 1.428 4.855 1.00 0.00 C ATOM 427 O VAL A 31 -14.145 1.931 5.967 1.00 0.00 O ATOM 428 CB VAL A 31 -12.398 -0.232 3.870 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.304 -0.362 2.821 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.086 -1.091 5.087 1.00 0.00 C ATOM 0 H VAL A 31 -11.667 1.249 6.171 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.461 1.874 3.404 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.331 -0.586 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.190 -1.409 2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.573 0.221 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.363 0.009 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.961 -2.129 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.167 -0.739 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.906 -1.022 5.801 1.00 0.00 H new ATOM 440 N SER A 32 -14.986 1.020 4.089 1.00 0.00 N ATOM 441 CA SER A 32 -16.374 1.145 4.518 1.00 0.00 C ATOM 442 C SER A 32 -16.797 -0.063 5.347 1.00 0.00 C ATOM 443 O SER A 32 -17.749 0.007 6.124 1.00 0.00 O ATOM 444 CB SER A 32 -17.293 1.294 3.304 1.00 0.00 C ATOM 445 OG SER A 32 -18.655 1.302 3.695 1.00 0.00 O ATOM 0 H SER A 32 -14.866 0.600 3.167 1.00 0.00 H new ATOM 0 HA SER A 32 -16.458 2.036 5.139 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.057 2.218 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.116 0.475 2.607 1.00 0.00 H new ATOM 0 HG SER A 32 -19.045 0.417 3.539 1.00 0.00 H new ATOM 451 N GLU A 33 -16.084 -1.171 5.173 1.00 0.00 N ATOM 452 CA GLU A 33 -16.386 -2.396 5.905 1.00 0.00 C ATOM 453 C GLU A 33 -15.166 -2.882 6.681 1.00 0.00 C ATOM 454 O GLU A 33 -14.031 -2.535 6.354 1.00 0.00 O ATOM 455 CB GLU A 33 -16.860 -3.487 4.942 1.00 0.00 C ATOM 456 CG GLU A 33 -18.249 -3.240 4.378 1.00 0.00 C ATOM 457 CD GLU A 33 -18.397 -1.856 3.776 1.00 0.00 C ATOM 458 OE1 GLU A 33 -17.825 -1.617 2.692 1.00 0.00 O ATOM 459 OE2 GLU A 33 -19.082 -1.012 4.390 1.00 0.00 O ATOM 0 H GLU A 33 -15.294 -1.246 4.532 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.183 -2.177 6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.151 -3.565 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.853 -4.446 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.466 -3.989 3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -18.987 -3.368 5.170 1.00 0.00 H new ATOM 466 N ASP A 34 -15.408 -3.686 7.710 1.00 0.00 N ATOM 467 CA ASP A 34 -14.330 -4.221 8.533 1.00 0.00 C ATOM 468 C ASP A 34 -13.871 -5.579 8.013 1.00 0.00 C ATOM 469 O ASP A 34 -14.416 -6.098 7.038 1.00 0.00 O ATOM 470 CB ASP A 34 -14.784 -4.345 9.989 1.00 0.00 C ATOM 471 CG ASP A 34 -15.738 -5.504 10.200 1.00 0.00 C ATOM 472 OD1 ASP A 34 -15.411 -6.628 9.766 1.00 0.00 O ATOM 473 OD2 ASP A 34 -16.813 -5.288 10.799 1.00 0.00 O ATOM 0 H ASP A 34 -16.342 -3.982 7.994 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.489 -3.529 8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.911 -4.475 10.629 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.269 -3.418 10.296 1.00 0.00 H new ATOM 478 N ASP A 35 -12.866 -6.149 8.668 1.00 0.00 N ATOM 479 CA ASP A 35 -12.334 -7.448 8.272 1.00 0.00 C ATOM 480 C ASP A 35 -12.379 -7.614 6.756 1.00 0.00 C ATOM 481 O ASP A 35 -12.683 -8.694 6.249 1.00 0.00 O ATOM 482 CB ASP A 35 -13.121 -8.573 8.945 1.00 0.00 C ATOM 483 CG ASP A 35 -12.605 -8.890 10.335 1.00 0.00 C ATOM 484 OD1 ASP A 35 -11.392 -8.711 10.573 1.00 0.00 O ATOM 485 OD2 ASP A 35 -13.414 -9.317 11.185 1.00 0.00 O ATOM 0 H ASP A 35 -12.403 -5.732 9.476 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.294 -7.501 8.595 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.172 -8.291 9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.067 -9.470 8.328 1.00 0.00 H new ATOM 490 N ALA A 36 -12.077 -6.537 6.039 1.00 0.00 N ATOM 491 CA ALA A 36 -12.083 -6.564 4.581 1.00 0.00 C ATOM 492 C ALA A 36 -10.697 -6.887 4.033 1.00 0.00 C ATOM 493 O ALA A 36 -9.687 -6.646 4.692 1.00 0.00 O ATOM 494 CB ALA A 36 -12.574 -5.234 4.031 1.00 0.00 C ATOM 0 H ALA A 36 -11.825 -5.635 6.443 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.765 -7.351 4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.573 -5.268 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.586 -5.044 4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.915 -4.435 4.369 1.00 0.00 H new ATOM 500 N ASN A 37 -10.657 -7.434 2.822 1.00 0.00 N ATOM 501 CA ASN A 37 -9.395 -7.791 2.185 1.00 0.00 C ATOM 502 C ASN A 37 -9.118 -6.892 0.984 1.00 0.00 C ATOM 503 O ASN A 37 -9.648 -7.112 -0.105 1.00 0.00 O ATOM 504 CB ASN A 37 -9.418 -9.256 1.745 1.00 0.00 C ATOM 505 CG ASN A 37 -8.190 -9.637 0.940 1.00 0.00 C ATOM 506 OD1 ASN A 37 -7.141 -9.002 1.049 1.00 0.00 O ATOM 507 ND2 ASN A 37 -8.317 -10.679 0.127 1.00 0.00 N ATOM 0 H ASN A 37 -11.485 -7.640 2.262 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.597 -7.650 2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.485 -9.896 2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.312 -9.439 1.148 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.525 -10.983 -0.440 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.206 -11.175 0.069 1.00 0.00 H new ATOM 514 N VAL A 38 -8.284 -5.878 1.191 1.00 0.00 N ATOM 515 CA VAL A 38 -7.934 -4.946 0.125 1.00 0.00 C ATOM 516 C VAL A 38 -6.770 -5.473 -0.706 1.00 0.00 C ATOM 517 O VAL A 38 -5.985 -6.300 -0.241 1.00 0.00 O ATOM 518 CB VAL A 38 -7.563 -3.562 0.689 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.548 -3.144 1.770 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.140 -3.570 1.228 1.00 0.00 C ATOM 0 H VAL A 38 -7.838 -5.681 2.087 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.814 -4.847 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.617 -2.833 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.270 -2.164 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.552 -3.096 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.529 -3.872 2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.895 -2.584 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.056 -4.310 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.448 -3.822 0.424 1.00 0.00 H new ATOM 530 N LYS A 39 -6.663 -4.988 -1.938 1.00 0.00 N ATOM 531 CA LYS A 39 -5.593 -5.408 -2.836 1.00 0.00 C ATOM 532 C LYS A 39 -4.634 -4.255 -3.116 1.00 0.00 C ATOM 533 O LYS A 39 -5.008 -3.262 -3.740 1.00 0.00 O ATOM 534 CB LYS A 39 -6.177 -5.930 -4.150 1.00 0.00 C ATOM 535 CG LYS A 39 -6.487 -7.417 -4.130 1.00 0.00 C ATOM 536 CD LYS A 39 -5.297 -8.241 -4.593 1.00 0.00 C ATOM 537 CE LYS A 39 -5.739 -9.549 -5.230 1.00 0.00 C ATOM 538 NZ LYS A 39 -6.370 -10.464 -4.238 1.00 0.00 N ATOM 0 H LYS A 39 -7.304 -4.303 -2.338 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.038 -6.210 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.091 -5.380 -4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.474 -5.725 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.768 -7.717 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.343 -7.620 -4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.711 -7.666 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.646 -8.450 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.446 -9.341 -6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.878 -10.042 -5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.657 -11.344 -4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.687 -10.683 -3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.206 -10.004 -3.825 1.00 0.00 H new ATOM 552 N TRP A 40 -3.397 -4.395 -2.653 1.00 0.00 N ATOM 553 CA TRP A 40 -2.385 -3.365 -2.855 1.00 0.00 C ATOM 554 C TRP A 40 -1.618 -3.602 -4.151 1.00 0.00 C ATOM 555 O TRP A 40 -1.230 -4.730 -4.457 1.00 0.00 O ATOM 556 CB TRP A 40 -1.415 -3.335 -1.673 1.00 0.00 C ATOM 557 CG TRP A 40 -2.076 -3.001 -0.370 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.774 -3.853 0.437 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.103 -1.722 0.274 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.233 -3.181 1.545 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.834 -1.873 1.469 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.579 -0.466 -0.041 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -3.054 -0.814 2.345 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.798 0.585 0.830 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.529 0.405 2.012 1.00 0.00 C ATOM 0 H TRP A 40 -3.071 -5.211 -2.135 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.892 -2.402 -2.925 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.929 -4.307 -1.587 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.632 -2.603 -1.873 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.941 -4.901 0.235 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.782 -3.590 2.301 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.013 -0.319 -0.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.619 -0.950 3.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.399 1.561 0.596 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.681 1.245 2.673 1.00 0.00 H new ATOM 576 N PHE A 41 -1.404 -2.533 -4.911 1.00 0.00 N ATOM 577 CA PHE A 41 -0.684 -2.626 -6.176 1.00 0.00 C ATOM 578 C PHE A 41 0.457 -1.615 -6.228 1.00 0.00 C ATOM 579 O PHE A 41 0.340 -0.502 -5.714 1.00 0.00 O ATOM 580 CB PHE A 41 -1.639 -2.396 -7.349 1.00 0.00 C ATOM 581 CG PHE A 41 -2.786 -3.365 -7.388 1.00 0.00 C ATOM 582 CD1 PHE A 41 -3.884 -3.192 -6.560 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.767 -4.448 -8.252 1.00 0.00 C ATOM 584 CE1 PHE A 41 -4.940 -4.083 -6.593 1.00 0.00 C ATOM 585 CE2 PHE A 41 -3.821 -5.341 -8.289 1.00 0.00 C ATOM 586 CZ PHE A 41 -4.909 -5.158 -7.460 1.00 0.00 C ATOM 0 H PHE A 41 -1.719 -1.592 -4.673 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.261 -3.628 -6.252 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.033 -1.381 -7.293 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.080 -2.469 -8.282 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.915 -2.352 -5.882 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.919 -4.596 -8.904 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.789 -3.939 -5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.793 -6.182 -8.966 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.734 -5.854 -7.489 1.00 0.00 H new ATOM 596 N LYS A 42 1.561 -2.009 -6.853 1.00 0.00 N ATOM 597 CA LYS A 42 2.724 -1.139 -6.975 1.00 0.00 C ATOM 598 C LYS A 42 2.789 -0.507 -8.362 1.00 0.00 C ATOM 599 O LYS A 42 3.316 -1.101 -9.301 1.00 0.00 O ATOM 600 CB LYS A 42 4.008 -1.927 -6.702 1.00 0.00 C ATOM 601 CG LYS A 42 5.276 -1.154 -7.021 1.00 0.00 C ATOM 602 CD LYS A 42 5.749 -0.342 -5.828 1.00 0.00 C ATOM 603 CE LYS A 42 7.131 0.246 -6.067 1.00 0.00 C ATOM 604 NZ LYS A 42 8.180 -0.809 -6.129 1.00 0.00 N ATOM 0 H LYS A 42 1.675 -2.927 -7.283 1.00 0.00 H new ATOM 0 HA LYS A 42 2.629 -0.343 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.027 -2.222 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.994 -2.844 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.060 -1.848 -7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.095 -0.489 -7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.040 0.462 -5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.770 -0.975 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.129 0.811 -6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.370 0.949 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.112 -0.383 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.988 -1.532 -5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.174 -1.250 -7.071 1.00 0.00 H new ATOM 618 N ASN A 43 2.250 0.702 -8.482 1.00 0.00 N ATOM 619 CA ASN A 43 2.247 1.415 -9.754 1.00 0.00 C ATOM 620 C ASN A 43 1.457 0.644 -10.808 1.00 0.00 C ATOM 621 O ASN A 43 1.752 0.723 -12.000 1.00 0.00 O ATOM 622 CB ASN A 43 3.680 1.641 -10.239 1.00 0.00 C ATOM 623 CG ASN A 43 3.817 2.900 -11.072 1.00 0.00 C ATOM 624 OD1 ASN A 43 2.966 3.198 -11.911 1.00 0.00 O ATOM 625 ND2 ASN A 43 4.892 3.646 -10.845 1.00 0.00 N ATOM 0 H ASN A 43 1.810 1.208 -7.714 1.00 0.00 H new ATOM 0 HA ASN A 43 1.766 2.381 -9.600 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.346 1.704 -9.379 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.001 0.782 -10.828 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.038 4.505 -11.376 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.571 3.360 -10.140 1.00 0.00 H new ATOM 632 N GLY A 44 0.452 -0.101 -10.359 1.00 0.00 N ATOM 633 CA GLY A 44 -0.365 -0.875 -11.275 1.00 0.00 C ATOM 634 C GLY A 44 -0.127 -2.366 -11.146 1.00 0.00 C ATOM 635 O GLY A 44 -1.012 -3.169 -11.438 1.00 0.00 O ATOM 0 H GLY A 44 0.189 -0.182 -9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.417 -0.661 -11.088 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.153 -0.564 -12.298 1.00 0.00 H new ATOM 639 N GLU A 45 1.073 -2.736 -10.710 1.00 0.00 N ATOM 640 CA GLU A 45 1.425 -4.142 -10.546 1.00 0.00 C ATOM 641 C GLU A 45 0.824 -4.708 -9.263 1.00 0.00 C ATOM 642 O GLU A 45 0.576 -3.974 -8.306 1.00 0.00 O ATOM 643 CB GLU A 45 2.946 -4.311 -10.528 1.00 0.00 C ATOM 644 CG GLU A 45 3.561 -4.440 -11.911 1.00 0.00 C ATOM 645 CD GLU A 45 3.507 -5.859 -12.443 1.00 0.00 C ATOM 646 OE1 GLU A 45 3.417 -6.796 -11.623 1.00 0.00 O ATOM 647 OE2 GLU A 45 3.555 -6.032 -13.679 1.00 0.00 O ATOM 0 H GLU A 45 1.817 -2.083 -10.464 1.00 0.00 H new ATOM 0 HA GLU A 45 1.015 -4.694 -11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.392 -3.456 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.198 -5.196 -9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.038 -3.777 -12.600 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.599 -4.108 -11.876 1.00 0.00 H new ATOM 654 N GLU A 46 0.592 -6.017 -9.252 1.00 0.00 N ATOM 655 CA GLU A 46 0.019 -6.680 -8.087 1.00 0.00 C ATOM 656 C GLU A 46 1.109 -7.084 -7.098 1.00 0.00 C ATOM 657 O GLU A 46 2.114 -7.685 -7.479 1.00 0.00 O ATOM 658 CB GLU A 46 -0.778 -7.914 -8.515 1.00 0.00 C ATOM 659 CG GLU A 46 -1.281 -8.749 -7.350 1.00 0.00 C ATOM 660 CD GLU A 46 -2.171 -9.894 -7.794 1.00 0.00 C ATOM 661 OE1 GLU A 46 -3.209 -9.624 -8.433 1.00 0.00 O ATOM 662 OE2 GLU A 46 -1.830 -11.059 -7.502 1.00 0.00 O ATOM 0 H GLU A 46 0.792 -6.638 -10.036 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.651 -5.975 -7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.629 -7.595 -9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.152 -8.537 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.429 -9.148 -6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.834 -8.110 -6.662 1.00 0.00 H new ATOM 669 N ILE A 47 0.903 -6.748 -5.829 1.00 0.00 N ATOM 670 CA ILE A 47 1.868 -7.075 -4.787 1.00 0.00 C ATOM 671 C ILE A 47 1.553 -8.425 -4.151 1.00 0.00 C ATOM 672 O ILE A 47 0.393 -8.742 -3.885 1.00 0.00 O ATOM 673 CB ILE A 47 1.896 -5.997 -3.688 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.451 -4.684 -4.245 1.00 0.00 C ATOM 675 CG2 ILE A 47 2.727 -6.470 -2.504 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.462 -3.557 -3.236 1.00 0.00 C ATOM 0 H ILE A 47 0.077 -6.250 -5.498 1.00 0.00 H new ATOM 0 HA ILE A 47 2.846 -7.120 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 47 0.876 -5.822 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.467 -4.851 -4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.855 -4.384 -5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.738 -5.697 -1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.292 -7.382 -2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.747 -6.669 -2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.868 -2.658 -3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.445 -3.363 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.082 -3.837 -2.384 1.00 0.00 H new ATOM 688 N ILE A 48 2.593 -9.216 -3.909 1.00 0.00 N ATOM 689 CA ILE A 48 2.428 -10.530 -3.301 1.00 0.00 C ATOM 690 C ILE A 48 3.272 -10.662 -2.038 1.00 0.00 C ATOM 691 O ILE A 48 4.429 -11.082 -2.076 1.00 0.00 O ATOM 692 CB ILE A 48 2.811 -11.655 -4.281 1.00 0.00 C ATOM 693 CG1 ILE A 48 2.007 -11.529 -5.576 1.00 0.00 C ATOM 694 CG2 ILE A 48 2.584 -13.016 -3.640 1.00 0.00 C ATOM 695 CD1 ILE A 48 2.631 -10.592 -6.586 1.00 0.00 C ATOM 0 H ILE A 48 3.559 -8.969 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 48 1.374 -10.628 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 48 3.870 -11.561 -4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.901 -12.516 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.003 -11.177 -5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.859 -13.801 -4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.197 -13.103 -2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.533 -13.121 -3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.007 -10.552 -7.479 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.712 -9.594 -6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.624 -10.954 -6.853 1.00 0.00 H new ATOM 707 N PRO A 49 2.681 -10.297 -0.891 1.00 0.00 N ATOM 708 CA PRO A 49 3.359 -10.368 0.407 1.00 0.00 C ATOM 709 C PRO A 49 3.584 -11.805 0.865 1.00 0.00 C ATOM 710 O PRO A 49 3.215 -12.753 0.174 1.00 0.00 O ATOM 711 CB PRO A 49 2.392 -9.650 1.352 1.00 0.00 C ATOM 712 CG PRO A 49 1.056 -9.799 0.711 1.00 0.00 C ATOM 713 CD PRO A 49 1.304 -9.788 -0.772 1.00 0.00 C ATOM 0 HA PRO A 49 4.353 -9.922 0.373 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.406 -10.096 2.347 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.660 -8.600 1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.577 -10.728 1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.391 -8.986 1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.594 -10.422 -1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.209 -8.785 -1.188 1.00 0.00 H new ATOM 721 N GLY A 50 4.192 -11.959 2.038 1.00 0.00 N ATOM 722 CA GLY A 50 4.456 -13.283 2.569 1.00 0.00 C ATOM 723 C GLY A 50 5.612 -13.296 3.548 1.00 0.00 C ATOM 724 O GLY A 50 6.085 -12.251 3.998 1.00 0.00 O ATOM 0 H GLY A 50 4.506 -11.190 2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.560 -13.657 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.673 -13.964 1.746 1.00 0.00 H new ATOM 728 N PRO A 51 6.086 -14.502 3.896 1.00 0.00 N ATOM 729 CA PRO A 51 7.200 -14.675 4.833 1.00 0.00 C ATOM 730 C PRO A 51 8.529 -14.214 4.245 1.00 0.00 C ATOM 731 O PRO A 51 9.367 -13.647 4.948 1.00 0.00 O ATOM 732 CB PRO A 51 7.221 -16.185 5.083 1.00 0.00 C ATOM 733 CG PRO A 51 6.602 -16.780 3.865 1.00 0.00 C ATOM 734 CD PRO A 51 5.571 -15.789 3.399 1.00 0.00 C ATOM 0 HA PRO A 51 7.068 -14.081 5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.239 -16.548 5.227 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.659 -16.446 5.980 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.351 -16.956 3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.144 -17.743 4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.474 -15.791 2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.585 -16.012 3.808 1.00 0.00 H new ATOM 742 N LYS A 52 8.716 -14.458 2.953 1.00 0.00 N ATOM 743 CA LYS A 52 9.943 -14.067 2.269 1.00 0.00 C ATOM 744 C LYS A 52 9.780 -12.709 1.594 1.00 0.00 C ATOM 745 O LYS A 52 10.700 -11.892 1.591 1.00 0.00 O ATOM 746 CB LYS A 52 10.332 -15.121 1.231 1.00 0.00 C ATOM 747 CG LYS A 52 10.805 -16.430 1.841 1.00 0.00 C ATOM 748 CD LYS A 52 11.589 -17.260 0.839 1.00 0.00 C ATOM 749 CE LYS A 52 12.400 -18.347 1.529 1.00 0.00 C ATOM 750 NZ LYS A 52 13.734 -17.850 1.965 1.00 0.00 N ATOM 0 H LYS A 52 8.033 -14.925 2.357 1.00 0.00 H new ATOM 0 HA LYS A 52 10.735 -13.991 3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.475 -15.319 0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.122 -14.719 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.429 -16.223 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.945 -17.000 2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.902 -17.715 0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.256 -16.612 0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.850 -18.717 2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.530 -19.190 0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.256 -18.620 2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.269 -17.520 1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.610 -17.063 2.633 1.00 0.00 H new ATOM 764 N SER A 53 8.602 -12.475 1.024 1.00 0.00 N ATOM 765 CA SER A 53 8.319 -11.216 0.343 1.00 0.00 C ATOM 766 C SER A 53 8.709 -10.027 1.216 1.00 0.00 C ATOM 767 O SER A 53 8.870 -10.160 2.429 1.00 0.00 O ATOM 768 CB SER A 53 6.836 -11.132 -0.021 1.00 0.00 C ATOM 769 OG SER A 53 6.476 -12.151 -0.938 1.00 0.00 O ATOM 0 H SER A 53 7.829 -13.140 1.020 1.00 0.00 H new ATOM 0 HA SER A 53 8.912 -11.183 -0.571 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.231 -11.221 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.620 -10.156 -0.455 1.00 0.00 H new ATOM 0 HG SER A 53 5.612 -11.934 -1.346 1.00 0.00 H new ATOM 775 N ARG A 54 8.859 -8.865 0.588 1.00 0.00 N ATOM 776 CA ARG A 54 9.231 -7.652 1.306 1.00 0.00 C ATOM 777 C ARG A 54 7.992 -6.906 1.793 1.00 0.00 C ATOM 778 O ARG A 54 7.987 -6.336 2.884 1.00 0.00 O ATOM 779 CB ARG A 54 10.069 -6.739 0.408 1.00 0.00 C ATOM 780 CG ARG A 54 11.495 -7.225 0.207 1.00 0.00 C ATOM 781 CD ARG A 54 12.290 -7.169 1.502 1.00 0.00 C ATOM 782 NE ARG A 54 13.720 -7.001 1.259 1.00 0.00 N ATOM 783 CZ ARG A 54 14.634 -6.996 2.223 1.00 0.00 C ATOM 784 NH1 ARG A 54 14.268 -7.151 3.488 1.00 0.00 N ATOM 785 NH2 ARG A 54 15.917 -6.837 1.923 1.00 0.00 N ATOM 0 H ARG A 54 8.729 -8.738 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 54 9.824 -7.941 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.583 -6.654 -0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.093 -5.739 0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.482 -8.248 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.986 -6.613 -0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.927 -6.344 2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.124 -8.085 2.069 1.00 0.00 H new ATOM 0 HE ARG A 54 14.034 -6.881 0.296 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.283 -7.274 3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.971 -7.147 4.227 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.203 -6.718 0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.617 -6.833 2.664 1.00 0.00 H new ATOM 799 N TYR A 55 6.944 -6.915 0.976 1.00 0.00 N ATOM 800 CA TYR A 55 5.700 -6.238 1.322 1.00 0.00 C ATOM 801 C TYR A 55 4.865 -7.086 2.276 1.00 0.00 C ATOM 802 O TYR A 55 4.752 -8.300 2.107 1.00 0.00 O ATOM 803 CB TYR A 55 4.896 -5.928 0.059 1.00 0.00 C ATOM 804 CG TYR A 55 5.696 -5.219 -1.010 1.00 0.00 C ATOM 805 CD1 TYR A 55 6.411 -5.936 -1.962 1.00 0.00 C ATOM 806 CD2 TYR A 55 5.737 -3.831 -1.070 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.144 -5.293 -2.939 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.467 -3.179 -2.045 1.00 0.00 C ATOM 809 CZ TYR A 55 7.169 -3.914 -2.977 1.00 0.00 C ATOM 810 OH TYR A 55 7.897 -3.270 -3.951 1.00 0.00 O ATOM 0 H TYR A 55 6.932 -7.384 0.070 1.00 0.00 H new ATOM 0 HA TYR A 55 5.952 -5.303 1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.505 -6.859 -0.350 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.038 -5.312 0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.393 -7.016 -1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.189 -3.252 -0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.695 -5.866 -3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.488 -2.100 -2.077 1.00 0.00 H new ATOM 0 HH TYR A 55 7.927 -3.825 -4.758 1.00 0.00 H new ATOM 820 N ARG A 56 4.280 -6.437 3.277 1.00 0.00 N ATOM 821 CA ARG A 56 3.454 -7.130 4.259 1.00 0.00 C ATOM 822 C ARG A 56 2.147 -6.380 4.497 1.00 0.00 C ATOM 823 O ARG A 56 2.137 -5.309 5.106 1.00 0.00 O ATOM 824 CB ARG A 56 4.214 -7.285 5.577 1.00 0.00 C ATOM 825 CG ARG A 56 5.672 -7.676 5.398 1.00 0.00 C ATOM 826 CD ARG A 56 6.534 -7.149 6.535 1.00 0.00 C ATOM 827 NE ARG A 56 6.261 -7.837 7.793 1.00 0.00 N ATOM 828 CZ ARG A 56 6.823 -7.504 8.950 1.00 0.00 C ATOM 829 NH1 ARG A 56 7.684 -6.497 9.007 1.00 0.00 N ATOM 830 NH2 ARG A 56 6.524 -8.178 10.053 1.00 0.00 N ATOM 0 H ARG A 56 4.363 -5.432 3.430 1.00 0.00 H new ATOM 0 HA ARG A 56 3.218 -8.119 3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.164 -6.346 6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.717 -8.039 6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.755 -8.762 5.350 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.041 -7.286 4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.586 -7.269 6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.356 -6.081 6.660 1.00 0.00 H new ATOM 0 HE ARG A 56 5.603 -8.616 7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.916 -5.976 8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.114 -6.243 9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.862 -8.953 10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.956 -7.921 10.941 1.00 0.00 H new ATOM 844 N ILE A 57 1.048 -6.948 4.013 1.00 0.00 N ATOM 845 CA ILE A 57 -0.264 -6.333 4.175 1.00 0.00 C ATOM 846 C ILE A 57 -0.924 -6.780 5.474 1.00 0.00 C ATOM 847 O ILE A 57 -1.343 -7.931 5.606 1.00 0.00 O ATOM 848 CB ILE A 57 -1.194 -6.674 2.995 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.532 -6.295 1.669 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.529 -5.961 3.150 1.00 0.00 C ATOM 851 CD1 ILE A 57 -1.040 -7.094 0.490 1.00 0.00 C ATOM 0 H ILE A 57 1.040 -7.833 3.506 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.106 -5.255 4.203 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.376 -7.749 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.700 -5.235 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.545 -6.437 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.175 -6.212 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.004 -6.276 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.366 -4.884 3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.527 -6.772 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.848 -8.154 0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.112 -6.933 0.376 1.00 0.00 H new ATOM 863 N ARG A 58 -1.016 -5.863 6.431 1.00 0.00 N ATOM 864 CA ARG A 58 -1.626 -6.162 7.721 1.00 0.00 C ATOM 865 C ARG A 58 -3.025 -5.560 7.813 1.00 0.00 C ATOM 866 O ARG A 58 -3.313 -4.534 7.196 1.00 0.00 O ATOM 867 CB ARG A 58 -0.754 -5.628 8.858 1.00 0.00 C ATOM 868 CG ARG A 58 -1.459 -5.598 10.204 1.00 0.00 C ATOM 869 CD ARG A 58 -0.493 -5.271 11.332 1.00 0.00 C ATOM 870 NE ARG A 58 0.368 -6.404 11.661 1.00 0.00 N ATOM 871 CZ ARG A 58 1.485 -6.295 12.372 1.00 0.00 C ATOM 872 NH1 ARG A 58 1.874 -5.112 12.825 1.00 0.00 N ATOM 873 NH2 ARG A 58 2.216 -7.372 12.630 1.00 0.00 N ATOM 0 H ARG A 58 -0.676 -4.906 6.337 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.708 -7.245 7.813 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.140 -6.246 8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.423 -4.620 8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.258 -4.857 10.181 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.927 -6.564 10.393 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.123 -4.419 11.046 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.056 -4.975 12.217 1.00 0.00 H new ATOM 0 HE ARG A 58 0.097 -7.329 11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.315 -4.282 12.628 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.732 -5.032 13.371 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.920 -8.284 12.282 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.073 -7.288 13.176 1.00 0.00 H new ATOM 887 N VAL A 59 -3.892 -6.206 8.586 1.00 0.00 N ATOM 888 CA VAL A 59 -5.261 -5.734 8.759 1.00 0.00 C ATOM 889 C VAL A 59 -5.545 -5.397 10.219 1.00 0.00 C ATOM 890 O VAL A 59 -5.481 -6.263 11.090 1.00 0.00 O ATOM 891 CB VAL A 59 -6.281 -6.783 8.278 1.00 0.00 C ATOM 892 CG1 VAL A 59 -7.702 -6.292 8.510 1.00 0.00 C ATOM 893 CG2 VAL A 59 -6.054 -7.112 6.811 1.00 0.00 C ATOM 0 H VAL A 59 -3.671 -7.057 9.102 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.365 -4.833 8.154 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.139 -7.695 8.857 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.409 -7.046 8.164 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.856 -6.112 9.574 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.861 -5.365 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.783 -7.855 6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.168 -6.208 6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.048 -7.510 6.679 1.00 0.00 H new ATOM 903 N GLU A 60 -5.861 -4.131 10.477 1.00 0.00 N ATOM 904 CA GLU A 60 -6.155 -3.680 11.832 1.00 0.00 C ATOM 905 C GLU A 60 -7.537 -3.037 11.903 1.00 0.00 C ATOM 906 O GLU A 60 -7.718 -1.884 11.516 1.00 0.00 O ATOM 907 CB GLU A 60 -5.093 -2.684 12.303 1.00 0.00 C ATOM 908 CG GLU A 60 -3.909 -3.339 12.996 1.00 0.00 C ATOM 909 CD GLU A 60 -3.064 -2.346 13.771 1.00 0.00 C ATOM 910 OE1 GLU A 60 -2.679 -1.312 13.185 1.00 0.00 O ATOM 911 OE2 GLU A 60 -2.789 -2.602 14.961 1.00 0.00 O ATOM 0 H GLU A 60 -5.920 -3.401 9.767 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.144 -4.550 12.488 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.733 -2.117 11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.554 -1.970 12.986 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.272 -4.110 13.676 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.287 -3.837 12.252 1.00 0.00 H new ATOM 918 N GLY A 61 -8.510 -3.794 12.402 1.00 0.00 N ATOM 919 CA GLY A 61 -9.864 -3.283 12.515 1.00 0.00 C ATOM 920 C GLY A 61 -10.480 -2.973 11.165 1.00 0.00 C ATOM 921 O GLY A 61 -10.769 -3.878 10.382 1.00 0.00 O ATOM 0 H GLY A 61 -8.385 -4.752 12.730 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.483 -4.014 13.034 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.859 -2.380 13.125 1.00 0.00 H new ATOM 925 N LYS A 62 -10.686 -1.689 10.892 1.00 0.00 N ATOM 926 CA LYS A 62 -11.273 -1.259 9.628 1.00 0.00 C ATOM 927 C LYS A 62 -10.261 -0.478 8.795 1.00 0.00 C ATOM 928 O LYS A 62 -10.619 0.169 7.811 1.00 0.00 O ATOM 929 CB LYS A 62 -12.512 -0.399 9.884 1.00 0.00 C ATOM 930 CG LYS A 62 -13.625 -1.135 10.609 1.00 0.00 C ATOM 931 CD LYS A 62 -14.741 -0.190 11.024 1.00 0.00 C ATOM 932 CE LYS A 62 -15.758 -0.004 9.908 1.00 0.00 C ATOM 933 NZ LYS A 62 -17.050 0.529 10.419 1.00 0.00 N ATOM 0 H LYS A 62 -10.455 -0.927 11.530 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.565 -2.149 9.071 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.223 0.474 10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.892 -0.031 8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.029 -1.914 9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.220 -1.631 11.491 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.240 -0.581 11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.318 0.777 11.297 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.355 0.678 9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.930 -0.959 9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.716 0.642 9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.448 -0.133 11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.890 1.452 10.871 1.00 0.00 H new ATOM 947 N LYS A 63 -8.996 -0.545 9.195 1.00 0.00 N ATOM 948 CA LYS A 63 -7.931 0.154 8.485 1.00 0.00 C ATOM 949 C LYS A 63 -6.791 -0.799 8.139 1.00 0.00 C ATOM 950 O LYS A 63 -6.470 -1.704 8.910 1.00 0.00 O ATOM 951 CB LYS A 63 -7.401 1.314 9.331 1.00 0.00 C ATOM 952 CG LYS A 63 -6.442 0.879 10.426 1.00 0.00 C ATOM 953 CD LYS A 63 -5.613 2.046 10.937 1.00 0.00 C ATOM 954 CE LYS A 63 -6.480 3.081 11.637 1.00 0.00 C ATOM 955 NZ LYS A 63 -6.757 2.708 13.051 1.00 0.00 N ATOM 0 H LYS A 63 -8.683 -1.076 10.007 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.346 0.549 7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.896 2.027 8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.243 1.837 9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.004 0.442 11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.781 0.101 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.853 1.679 11.627 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.088 2.513 10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.983 4.051 11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.422 3.190 11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.351 3.439 13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.254 1.795 13.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.860 2.629 13.571 1.00 0.00 H new ATOM 969 N HIS A 64 -6.183 -0.590 6.976 1.00 0.00 N ATOM 970 CA HIS A 64 -5.077 -1.430 6.530 1.00 0.00 C ATOM 971 C HIS A 64 -3.757 -0.668 6.593 1.00 0.00 C ATOM 972 O HIS A 64 -3.740 0.563 6.614 1.00 0.00 O ATOM 973 CB HIS A 64 -5.327 -1.924 5.104 1.00 0.00 C ATOM 974 CG HIS A 64 -6.441 -2.920 5.002 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.251 -4.220 4.583 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.762 -2.801 5.269 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.408 -4.857 4.595 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.342 -4.018 5.008 1.00 0.00 N ATOM 0 H HIS A 64 -6.437 0.153 6.325 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.013 -2.289 7.198 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.555 -1.069 4.467 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.412 -2.374 4.718 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.267 -1.914 5.622 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.564 -5.888 4.315 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.332 -4.239 5.115 1.00 0.00 H new ATOM 987 N ILE A 65 -2.654 -1.408 6.624 1.00 0.00 N ATOM 988 CA ILE A 65 -1.329 -0.802 6.684 1.00 0.00 C ATOM 989 C ILE A 65 -0.334 -1.569 5.820 1.00 0.00 C ATOM 990 O ILE A 65 -0.002 -2.720 6.107 1.00 0.00 O ATOM 991 CB ILE A 65 -0.801 -0.748 8.130 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.690 0.154 8.988 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.638 -0.254 8.149 1.00 0.00 C ATOM 994 CD1 ILE A 65 -2.829 -0.582 9.659 1.00 0.00 C ATOM 0 H ILE A 65 -2.651 -2.428 6.609 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.429 0.214 6.303 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.826 -1.754 8.548 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.078 0.633 9.752 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.099 0.948 8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.998 -0.221 9.177 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.263 -0.932 7.567 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.685 0.745 7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.417 0.120 10.250 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.464 -1.039 8.900 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.427 -1.358 10.311 1.00 0.00 H new ATOM 1006 N LEU A 66 0.141 -0.923 4.760 1.00 0.00 N ATOM 1007 CA LEU A 66 1.101 -1.542 3.853 1.00 0.00 C ATOM 1008 C LEU A 66 2.527 -1.133 4.208 1.00 0.00 C ATOM 1009 O LEU A 66 2.985 -0.053 3.833 1.00 0.00 O ATOM 1010 CB LEU A 66 0.791 -1.152 2.407 1.00 0.00 C ATOM 1011 CG LEU A 66 1.677 -1.789 1.336 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.455 -3.293 1.284 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.405 -1.161 -0.024 1.00 0.00 C ATOM 0 H LEU A 66 -0.123 0.029 4.508 1.00 0.00 H new ATOM 0 HA LEU A 66 1.017 -2.624 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.246 -1.414 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.871 -0.068 2.319 1.00 0.00 H new ATOM 0 HG LEU A 66 2.719 -1.605 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.094 -3.729 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.700 -3.731 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.411 -3.499 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.044 -1.626 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.360 -1.314 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.616 -0.092 0.020 1.00 0.00 H new ATOM 1025 N ILE A 67 3.224 -2.003 4.930 1.00 0.00 N ATOM 1026 CA ILE A 67 4.599 -1.734 5.332 1.00 0.00 C ATOM 1027 C ILE A 67 5.586 -2.225 4.278 1.00 0.00 C ATOM 1028 O ILE A 67 5.404 -3.293 3.692 1.00 0.00 O ATOM 1029 CB ILE A 67 4.933 -2.399 6.680 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.302 -1.933 7.178 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.899 -3.914 6.546 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.449 -2.782 6.675 1.00 0.00 C ATOM 0 H ILE A 67 2.859 -2.901 5.249 1.00 0.00 H new ATOM 0 HA ILE A 67 4.690 -0.653 5.437 1.00 0.00 H new ATOM 0 HB ILE A 67 4.181 -2.102 7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.461 -0.901 6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.305 -1.941 8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.137 -4.370 7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.904 -4.229 6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.631 -4.230 5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.389 -2.394 7.068 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.314 -3.811 7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.472 -2.754 5.586 1.00 0.00 H new ATOM 1044 N ILE A 68 6.632 -1.439 4.043 1.00 0.00 N ATOM 1045 CA ILE A 68 7.649 -1.796 3.062 1.00 0.00 C ATOM 1046 C ILE A 68 9.036 -1.829 3.695 1.00 0.00 C ATOM 1047 O ILE A 68 9.645 -0.787 3.932 1.00 0.00 O ATOM 1048 CB ILE A 68 7.661 -0.809 1.879 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.241 -0.598 1.349 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.575 -1.318 0.774 1.00 0.00 C ATOM 1051 CD1 ILE A 68 6.133 0.527 0.343 1.00 0.00 C ATOM 0 H ILE A 68 6.797 -0.552 4.518 1.00 0.00 H new ATOM 0 HA ILE A 68 7.396 -2.790 2.693 1.00 0.00 H new ATOM 0 HB ILE A 68 8.045 0.150 2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.893 -1.522 0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.576 -0.390 2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.573 -0.610 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.589 -1.422 1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.218 -2.287 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.099 0.620 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.450 1.461 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.772 0.312 -0.514 1.00 0.00 H new ATOM 1063 N GLU A 69 9.529 -3.034 3.964 1.00 0.00 N ATOM 1064 CA GLU A 69 10.845 -3.202 4.569 1.00 0.00 C ATOM 1065 C GLU A 69 11.947 -2.792 3.597 1.00 0.00 C ATOM 1066 O GLU A 69 12.201 -3.475 2.605 1.00 0.00 O ATOM 1067 CB GLU A 69 11.048 -4.655 5.004 1.00 0.00 C ATOM 1068 CG GLU A 69 10.536 -4.948 6.405 1.00 0.00 C ATOM 1069 CD GLU A 69 10.484 -6.433 6.708 1.00 0.00 C ATOM 1070 OE1 GLU A 69 10.010 -7.200 5.843 1.00 0.00 O ATOM 1071 OE2 GLU A 69 10.918 -6.829 7.810 1.00 0.00 O ATOM 0 H GLU A 69 9.038 -3.907 3.773 1.00 0.00 H new ATOM 0 HA GLU A 69 10.899 -2.556 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.542 -5.311 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.110 -4.895 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.179 -4.455 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.539 -4.522 6.520 1.00 0.00 H new ATOM 1078 N GLY A 70 12.599 -1.671 3.889 1.00 0.00 N ATOM 1079 CA GLY A 70 13.666 -1.188 3.032 1.00 0.00 C ATOM 1080 C GLY A 70 13.143 -0.459 1.811 1.00 0.00 C ATOM 1081 O GLY A 70 13.135 -1.006 0.709 1.00 0.00 O ATOM 0 H GLY A 70 12.407 -1.088 4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.311 -0.519 3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.281 -2.030 2.713 1.00 0.00 H new ATOM 1085 N ALA A 71 12.702 0.780 2.006 1.00 0.00 N ATOM 1086 CA ALA A 71 12.175 1.585 0.911 1.00 0.00 C ATOM 1087 C ALA A 71 13.303 2.198 0.088 1.00 0.00 C ATOM 1088 O ALA A 71 13.779 3.294 0.386 1.00 0.00 O ATOM 1089 CB ALA A 71 11.260 2.675 1.451 1.00 0.00 C ATOM 0 H ALA A 71 12.699 1.248 2.912 1.00 0.00 H new ATOM 0 HA ALA A 71 11.597 0.932 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.873 3.269 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.429 2.219 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.821 3.319 2.128 1.00 0.00 H new ATOM 1095 N THR A 72 13.728 1.483 -0.950 1.00 0.00 N ATOM 1096 CA THR A 72 14.801 1.956 -1.815 1.00 0.00 C ATOM 1097 C THR A 72 14.279 2.951 -2.844 1.00 0.00 C ATOM 1098 O THR A 72 13.074 3.043 -3.080 1.00 0.00 O ATOM 1099 CB THR A 72 15.487 0.788 -2.548 1.00 0.00 C ATOM 1100 OG1 THR A 72 15.457 -0.389 -1.732 1.00 0.00 O ATOM 1101 CG2 THR A 72 16.927 1.136 -2.893 1.00 0.00 C ATOM 0 H THR A 72 13.345 0.574 -1.211 1.00 0.00 H new ATOM 0 HA THR A 72 15.530 2.451 -1.173 1.00 0.00 H new ATOM 0 HB THR A 72 14.944 0.601 -3.474 1.00 0.00 H new ATOM 0 HG1 THR A 72 15.894 -1.127 -2.206 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.391 0.296 -3.410 1.00 0.00 H new ATOM 0 HG22 THR A 72 16.944 2.014 -3.539 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.479 1.348 -1.978 1.00 0.00 H new ATOM 1109 N LYS A 73 15.193 3.696 -3.457 1.00 0.00 N ATOM 1110 CA LYS A 73 14.826 4.685 -4.464 1.00 0.00 C ATOM 1111 C LYS A 73 13.716 4.156 -5.365 1.00 0.00 C ATOM 1112 O LYS A 73 12.817 4.899 -5.760 1.00 0.00 O ATOM 1113 CB LYS A 73 16.047 5.061 -5.307 1.00 0.00 C ATOM 1114 CG LYS A 73 17.206 5.606 -4.490 1.00 0.00 C ATOM 1115 CD LYS A 73 16.875 6.961 -3.887 1.00 0.00 C ATOM 1116 CE LYS A 73 17.045 8.080 -4.904 1.00 0.00 C ATOM 1117 NZ LYS A 73 15.833 8.249 -5.752 1.00 0.00 N ATOM 0 H LYS A 73 16.194 3.633 -3.274 1.00 0.00 H new ATOM 0 HA LYS A 73 14.460 5.574 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.383 4.182 -5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.752 5.806 -6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.454 4.903 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.089 5.694 -5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.849 6.956 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.521 7.146 -3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.257 9.014 -4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.905 7.866 -5.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.002 7.827 -6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.024 7.776 -5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.624 9.262 -5.861 1.00 0.00 H new ATOM 1131 N ALA A 74 13.783 2.869 -5.687 1.00 0.00 N ATOM 1132 CA ALA A 74 12.781 2.240 -6.539 1.00 0.00 C ATOM 1133 C ALA A 74 11.424 2.189 -5.846 1.00 0.00 C ATOM 1134 O ALA A 74 10.399 2.517 -6.442 1.00 0.00 O ATOM 1135 CB ALA A 74 13.227 0.840 -6.935 1.00 0.00 C ATOM 0 H ALA A 74 14.521 2.241 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 74 12.677 2.844 -7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.469 0.383 -7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.170 0.899 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.362 0.234 -6.039 1.00 0.00 H new ATOM 1141 N ASP A 75 11.426 1.776 -4.583 1.00 0.00 N ATOM 1142 CA ASP A 75 10.195 1.682 -3.808 1.00 0.00 C ATOM 1143 C ASP A 75 9.290 2.881 -4.077 1.00 0.00 C ATOM 1144 O ASP A 75 8.066 2.765 -4.053 1.00 0.00 O ATOM 1145 CB ASP A 75 10.513 1.592 -2.314 1.00 0.00 C ATOM 1146 CG ASP A 75 9.481 0.786 -1.550 1.00 0.00 C ATOM 1147 OD1 ASP A 75 8.893 -0.142 -2.145 1.00 0.00 O ATOM 1148 OD2 ASP A 75 9.262 1.083 -0.357 1.00 0.00 O ATOM 0 H ASP A 75 12.266 1.501 -4.075 1.00 0.00 H new ATOM 0 HA ASP A 75 9.670 0.777 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.495 1.138 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.567 2.597 -1.896 1.00 0.00 H new ATOM 1153 N ALA A 76 9.903 4.032 -4.331 1.00 0.00 N ATOM 1154 CA ALA A 76 9.154 5.252 -4.606 1.00 0.00 C ATOM 1155 C ALA A 76 8.297 5.100 -5.858 1.00 0.00 C ATOM 1156 O ALA A 76 8.765 5.326 -6.973 1.00 0.00 O ATOM 1157 CB ALA A 76 10.103 6.433 -4.753 1.00 0.00 C ATOM 0 H ALA A 76 10.916 4.145 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 76 8.489 5.438 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.530 7.337 -4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.668 6.563 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.792 6.246 -5.577 1.00 0.00 H new ATOM 1163 N ALA A 77 7.039 4.716 -5.665 1.00 0.00 N ATOM 1164 CA ALA A 77 6.117 4.535 -6.779 1.00 0.00 C ATOM 1165 C ALA A 77 4.681 4.830 -6.356 1.00 0.00 C ATOM 1166 O ALA A 77 4.396 4.997 -5.171 1.00 0.00 O ATOM 1167 CB ALA A 77 6.226 3.121 -7.331 1.00 0.00 C ATOM 0 H ALA A 77 6.636 4.524 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 77 6.391 5.241 -7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.532 3.000 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.244 2.944 -7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.981 2.404 -6.547 1.00 0.00 H new ATOM 1173 N GLU A 78 3.783 4.893 -7.334 1.00 0.00 N ATOM 1174 CA GLU A 78 2.377 5.169 -7.061 1.00 0.00 C ATOM 1175 C GLU A 78 1.678 3.934 -6.501 1.00 0.00 C ATOM 1176 O GLU A 78 1.309 3.025 -7.246 1.00 0.00 O ATOM 1177 CB GLU A 78 1.670 5.635 -8.336 1.00 0.00 C ATOM 1178 CG GLU A 78 0.178 5.861 -8.156 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.493 6.361 -9.421 1.00 0.00 C ATOM 1180 OE1 GLU A 78 0.037 7.306 -10.041 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -1.548 5.804 -9.791 1.00 0.00 O ATOM 0 H GLU A 78 4.003 4.757 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 78 2.327 5.962 -6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.131 6.561 -8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.825 4.893 -9.119 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.292 4.928 -7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.018 6.582 -7.355 1.00 0.00 H new ATOM 1188 N TYR A 79 1.500 3.908 -5.185 1.00 0.00 N ATOM 1189 CA TYR A 79 0.848 2.784 -4.524 1.00 0.00 C ATOM 1190 C TYR A 79 -0.666 2.969 -4.500 1.00 0.00 C ATOM 1191 O TYR A 79 -1.182 3.872 -3.842 1.00 0.00 O ATOM 1192 CB TYR A 79 1.377 2.628 -3.097 1.00 0.00 C ATOM 1193 CG TYR A 79 2.795 2.109 -3.030 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.878 2.974 -3.135 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.053 0.755 -2.863 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.176 2.505 -3.075 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.348 0.277 -2.800 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.406 1.156 -2.907 1.00 0.00 C ATOM 1199 OH TYR A 79 6.697 0.683 -2.847 1.00 0.00 O ATOM 0 H TYR A 79 1.798 4.653 -4.555 1.00 0.00 H new ATOM 0 HA TYR A 79 1.076 1.881 -5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.328 3.593 -2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.724 1.949 -2.549 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.702 4.031 -3.266 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.227 0.064 -2.781 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.006 3.191 -3.159 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.531 -0.779 -2.668 1.00 0.00 H new ATOM 0 HH TYR A 79 7.313 1.371 -3.174 1.00 0.00 H new ATOM 1209 N SER A 80 -1.373 2.106 -5.223 1.00 0.00 N ATOM 1210 CA SER A 80 -2.828 2.175 -5.288 1.00 0.00 C ATOM 1211 C SER A 80 -3.454 0.853 -4.855 1.00 0.00 C ATOM 1212 O SER A 80 -3.013 -0.220 -5.265 1.00 0.00 O ATOM 1213 CB SER A 80 -3.280 2.526 -6.707 1.00 0.00 C ATOM 1214 OG SER A 80 -2.898 3.846 -7.053 1.00 0.00 O ATOM 0 H SER A 80 -0.962 1.351 -5.772 1.00 0.00 H new ATOM 0 HA SER A 80 -3.161 2.956 -4.605 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.845 1.821 -7.415 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.363 2.426 -6.782 1.00 0.00 H new ATOM 0 HG SER A 80 -3.197 4.045 -7.965 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.487 0.940 -4.022 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.176 -0.248 -3.533 1.00 0.00 C ATOM 1222 C VAL A 81 -6.459 -0.501 -4.317 1.00 0.00 C ATOM 1223 O VAL A 81 -6.913 0.354 -5.076 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.519 -0.122 -2.037 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.381 0.551 -1.283 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.819 0.646 -1.851 1.00 0.00 C ATOM 0 H VAL A 81 -4.865 1.821 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.496 -1.088 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.653 -1.123 -1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.641 0.631 -0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.473 -0.043 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.212 1.547 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.046 0.725 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.716 1.645 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.628 0.119 -2.356 1.00 0.00 H new ATOM 1236 N MET A 82 -7.038 -1.683 -4.128 1.00 0.00 N ATOM 1237 CA MET A 82 -8.270 -2.048 -4.817 1.00 0.00 C ATOM 1238 C MET A 82 -9.135 -2.950 -3.943 1.00 0.00 C ATOM 1239 O MET A 82 -8.711 -4.035 -3.541 1.00 0.00 O ATOM 1240 CB MET A 82 -7.951 -2.752 -6.138 1.00 0.00 C ATOM 1241 CG MET A 82 -9.013 -2.548 -7.207 1.00 0.00 C ATOM 1242 SD MET A 82 -9.077 -3.907 -8.390 1.00 0.00 S ATOM 1243 CE MET A 82 -7.820 -3.397 -9.560 1.00 0.00 C ATOM 0 H MET A 82 -6.674 -2.403 -3.504 1.00 0.00 H new ATOM 0 HA MET A 82 -8.825 -1.133 -5.025 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.995 -2.387 -6.513 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.834 -3.820 -5.952 1.00 0.00 H new ATOM 0 HG2 MET A 82 -9.987 -2.440 -6.730 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.814 -1.618 -7.739 1.00 0.00 H new ATOM 0 HE1 MET A 82 -7.741 -4.138 -10.355 1.00 0.00 H new ATOM 0 HE2 MET A 82 -8.092 -2.433 -9.989 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.861 -3.309 -9.049 1.00 0.00 H new ATOM 1253 N THR A 83 -10.349 -2.495 -3.649 1.00 0.00 N ATOM 1254 CA THR A 83 -11.272 -3.260 -2.821 1.00 0.00 C ATOM 1255 C THR A 83 -12.422 -3.819 -3.651 1.00 0.00 C ATOM 1256 O THR A 83 -12.446 -3.676 -4.875 1.00 0.00 O ATOM 1257 CB THR A 83 -11.848 -2.400 -1.680 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.409 -1.194 -2.211 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.771 -2.059 -0.662 1.00 0.00 C ATOM 0 H THR A 83 -10.716 -1.600 -3.973 1.00 0.00 H new ATOM 0 HA THR A 83 -10.703 -4.085 -2.393 1.00 0.00 H new ATOM 0 HB THR A 83 -12.628 -2.974 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.354 -1.134 -1.958 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.202 -1.451 0.134 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.367 -2.978 -0.238 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.971 -1.503 -1.151 1.00 0.00 H new ATOM 1267 N THR A 84 -13.377 -4.455 -2.980 1.00 0.00 N ATOM 1268 CA THR A 84 -14.530 -5.035 -3.656 1.00 0.00 C ATOM 1269 C THR A 84 -15.279 -3.984 -4.467 1.00 0.00 C ATOM 1270 O THR A 84 -15.822 -4.278 -5.531 1.00 0.00 O ATOM 1271 CB THR A 84 -15.503 -5.682 -2.652 1.00 0.00 C ATOM 1272 OG1 THR A 84 -15.906 -4.719 -1.671 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.858 -6.875 -1.964 1.00 0.00 C ATOM 0 H THR A 84 -13.374 -4.581 -1.968 1.00 0.00 H new ATOM 0 HA THR A 84 -14.148 -5.804 -4.328 1.00 0.00 H new ATOM 0 HB THR A 84 -16.378 -6.030 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.839 -4.881 -1.418 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.564 -7.315 -1.260 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.579 -7.619 -2.711 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.967 -6.548 -1.428 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.303 -2.756 -3.957 1.00 0.00 N ATOM 1282 CA GLY A 85 -15.987 -1.679 -4.649 1.00 0.00 C ATOM 1283 C GLY A 85 -15.362 -0.326 -4.376 1.00 0.00 C ATOM 1284 O GLY A 85 -16.067 0.666 -4.193 1.00 0.00 O ATOM 0 H GLY A 85 -14.861 -2.488 -3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.972 -1.873 -5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.033 -1.661 -4.343 1.00 0.00 H new ATOM 1288 N GLY A 86 -14.033 -0.284 -4.347 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.335 0.963 -4.092 1.00 0.00 C ATOM 1290 C GLY A 86 -11.883 0.913 -4.525 1.00 0.00 C ATOM 1291 O GLY A 86 -11.339 -0.163 -4.771 1.00 0.00 O ATOM 0 H GLY A 86 -13.427 -1.091 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.840 1.773 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.386 1.193 -3.028 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.256 2.081 -4.620 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.859 2.166 -5.029 1.00 0.00 C ATOM 1297 C GLN A 87 -9.209 3.435 -4.487 1.00 0.00 C ATOM 1298 O GLN A 87 -9.890 4.421 -4.205 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.749 2.134 -6.554 1.00 0.00 C ATOM 1300 CG GLN A 87 -8.330 1.922 -7.058 1.00 0.00 C ATOM 1301 CD GLN A 87 -8.173 2.272 -8.524 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -9.021 1.933 -9.350 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -7.084 2.955 -8.857 1.00 0.00 N ATOM 0 H GLN A 87 -11.693 2.981 -4.420 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.333 1.305 -4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.385 1.337 -6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.133 3.071 -6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.644 2.530 -6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.046 0.881 -6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.407 3.216 -8.140 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.925 3.219 -9.829 1.00 0.00 H new ATOM 1312 N SER A 88 -7.888 3.403 -4.343 1.00 0.00 N ATOM 1313 CA SER A 88 -7.147 4.549 -3.831 1.00 0.00 C ATOM 1314 C SER A 88 -5.753 4.615 -4.448 1.00 0.00 C ATOM 1315 O SER A 88 -5.229 3.612 -4.932 1.00 0.00 O ATOM 1316 CB SER A 88 -7.039 4.473 -2.306 1.00 0.00 C ATOM 1317 OG SER A 88 -6.471 5.658 -1.776 1.00 0.00 O ATOM 0 H SER A 88 -7.309 2.596 -4.574 1.00 0.00 H new ATOM 0 HA SER A 88 -7.690 5.453 -4.106 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.028 4.316 -1.876 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.428 3.615 -2.024 1.00 0.00 H new ATOM 0 HG SER A 88 -7.087 6.407 -1.917 1.00 0.00 H new ATOM 1323 N SER A 89 -5.159 5.804 -4.427 1.00 0.00 N ATOM 1324 CA SER A 89 -3.828 6.003 -4.988 1.00 0.00 C ATOM 1325 C SER A 89 -2.991 6.910 -4.092 1.00 0.00 C ATOM 1326 O SER A 89 -3.521 7.784 -3.407 1.00 0.00 O ATOM 1327 CB SER A 89 -3.928 6.605 -6.391 1.00 0.00 C ATOM 1328 OG SER A 89 -4.853 7.678 -6.422 1.00 0.00 O ATOM 0 H SER A 89 -5.578 6.644 -4.028 1.00 0.00 H new ATOM 0 HA SER A 89 -3.338 5.031 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.947 6.957 -6.709 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.235 5.835 -7.099 1.00 0.00 H new ATOM 0 HG SER A 89 -4.897 8.046 -7.329 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.680 6.695 -4.102 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.768 7.493 -3.292 1.00 0.00 C ATOM 1336 C ALA A 90 0.608 7.586 -3.944 1.00 0.00 C ATOM 1337 O ALA A 90 1.060 6.648 -4.600 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.652 6.906 -1.893 1.00 0.00 C ATOM 0 H ALA A 90 -1.225 5.974 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.176 8.501 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.032 7.512 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.634 6.898 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.271 5.887 -1.957 1.00 0.00 H new ATOM 1344 N LYS A 91 1.268 8.724 -3.761 1.00 0.00 N ATOM 1345 CA LYS A 91 2.593 8.941 -4.331 1.00 0.00 C ATOM 1346 C LYS A 91 3.669 8.857 -3.253 1.00 0.00 C ATOM 1347 O LYS A 91 3.609 9.564 -2.245 1.00 0.00 O ATOM 1348 CB LYS A 91 2.656 10.304 -5.024 1.00 0.00 C ATOM 1349 CG LYS A 91 2.116 10.289 -6.444 1.00 0.00 C ATOM 1350 CD LYS A 91 2.665 11.446 -7.261 1.00 0.00 C ATOM 1351 CE LYS A 91 4.102 11.193 -7.691 1.00 0.00 C ATOM 1352 NZ LYS A 91 4.608 12.264 -8.594 1.00 0.00 N ATOM 0 H LYS A 91 0.907 9.511 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 91 2.778 8.158 -5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.091 11.028 -4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.691 10.646 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.379 9.346 -6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.028 10.343 -6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.042 11.598 -8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.616 12.363 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.739 11.131 -6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.165 10.230 -8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.590 12.055 -8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.016 12.307 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.572 13.179 -8.101 1.00 0.00 H new ATOM 1366 N LEU A 92 4.652 7.991 -3.471 1.00 0.00 N ATOM 1367 CA LEU A 92 5.744 7.817 -2.519 1.00 0.00 C ATOM 1368 C LEU A 92 7.070 8.269 -3.121 1.00 0.00 C ATOM 1369 O LEU A 92 7.423 7.877 -4.233 1.00 0.00 O ATOM 1370 CB LEU A 92 5.839 6.353 -2.086 1.00 0.00 C ATOM 1371 CG LEU A 92 6.715 6.070 -0.865 1.00 0.00 C ATOM 1372 CD1 LEU A 92 5.982 6.439 0.415 1.00 0.00 C ATOM 1373 CD2 LEU A 92 7.136 4.608 -0.838 1.00 0.00 C ATOM 0 H LEU A 92 4.716 7.398 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 92 5.535 8.435 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.832 5.990 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.221 5.771 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 92 7.612 6.685 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.621 6.231 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.732 7.500 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.067 5.851 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.759 4.425 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.250 3.975 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.701 4.375 -1.740 1.00 0.00 H new ATOM 1385 N SER A 93 7.801 9.094 -2.378 1.00 0.00 N ATOM 1386 CA SER A 93 9.088 9.600 -2.840 1.00 0.00 C ATOM 1387 C SER A 93 10.202 9.218 -1.869 1.00 0.00 C ATOM 1388 O SER A 93 10.098 9.450 -0.665 1.00 0.00 O ATOM 1389 CB SER A 93 9.034 11.121 -2.999 1.00 0.00 C ATOM 1390 OG SER A 93 8.457 11.484 -4.241 1.00 0.00 O ATOM 0 H SER A 93 7.524 9.426 -1.454 1.00 0.00 H new ATOM 0 HA SER A 93 9.303 9.148 -3.808 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.454 11.554 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.041 11.533 -2.928 1.00 0.00 H new ATOM 0 HG SER A 93 8.432 12.461 -4.317 1.00 0.00 H new ATOM 1396 N VAL A 94 11.268 8.631 -2.404 1.00 0.00 N ATOM 1397 CA VAL A 94 12.402 8.217 -1.587 1.00 0.00 C ATOM 1398 C VAL A 94 13.613 9.110 -1.834 1.00 0.00 C ATOM 1399 O VAL A 94 13.971 9.384 -2.980 1.00 0.00 O ATOM 1400 CB VAL A 94 12.792 6.754 -1.868 1.00 0.00 C ATOM 1401 CG1 VAL A 94 13.925 6.317 -0.952 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.585 5.841 -1.709 1.00 0.00 C ATOM 0 H VAL A 94 11.370 8.432 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 94 12.092 8.309 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 94 13.141 6.681 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.186 5.281 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.794 6.953 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.607 6.404 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.879 4.811 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.204 5.916 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.807 6.141 -2.411 1.00 0.00 H new ATOM 1412 N ASP A 95 14.239 9.562 -0.753 1.00 0.00 N ATOM 1413 CA ASP A 95 15.411 10.424 -0.852 1.00 0.00 C ATOM 1414 C ASP A 95 16.559 9.878 -0.009 1.00 0.00 C ATOM 1415 O ASP A 95 16.345 9.105 0.925 1.00 0.00 O ATOM 1416 CB ASP A 95 15.064 11.845 -0.406 1.00 0.00 C ATOM 1417 CG ASP A 95 15.900 12.894 -1.113 1.00 0.00 C ATOM 1418 OD1 ASP A 95 15.674 13.117 -2.321 1.00 0.00 O ATOM 1419 OD2 ASP A 95 16.781 13.491 -0.460 1.00 0.00 O ATOM 0 H ASP A 95 13.954 9.346 0.202 1.00 0.00 H new ATOM 0 HA ASP A 95 15.729 10.447 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.008 12.036 -0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.212 11.931 0.670 1.00 0.00 H new ATOM 1424 N LEU A 96 17.778 10.285 -0.346 1.00 0.00 N ATOM 1425 CA LEU A 96 18.962 9.836 0.379 1.00 0.00 C ATOM 1426 C LEU A 96 19.293 10.789 1.524 1.00 0.00 C ATOM 1427 O LEU A 96 19.775 11.900 1.302 1.00 0.00 O ATOM 1428 CB LEU A 96 20.156 9.728 -0.571 1.00 0.00 C ATOM 1429 CG LEU A 96 20.243 8.444 -1.396 1.00 0.00 C ATOM 1430 CD1 LEU A 96 21.345 8.553 -2.439 1.00 0.00 C ATOM 1431 CD2 LEU A 96 20.480 7.243 -0.491 1.00 0.00 C ATOM 0 H LEU A 96 17.973 10.925 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 96 18.750 8.853 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 96 20.127 10.575 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 96 21.070 9.823 0.015 1.00 0.00 H new ATOM 0 HG LEU A 96 19.294 8.303 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 96 21.392 7.630 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 96 21.133 9.388 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 96 22.301 8.719 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 96 20.539 6.338 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 96 21.414 7.377 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 96 19.656 7.153 0.217 1.00 0.00 H new ATOM 1443 N LYS A 97 19.033 10.346 2.749 1.00 0.00 N ATOM 1444 CA LYS A 97 19.306 11.156 3.930 1.00 0.00 C ATOM 1445 C LYS A 97 20.806 11.354 4.119 1.00 0.00 C ATOM 1446 O LYS A 97 21.616 10.659 3.506 1.00 0.00 O ATOM 1447 CB LYS A 97 18.707 10.497 5.175 1.00 0.00 C ATOM 1448 CG LYS A 97 19.251 9.106 5.448 1.00 0.00 C ATOM 1449 CD LYS A 97 18.738 8.556 6.768 1.00 0.00 C ATOM 1450 CE LYS A 97 17.441 7.782 6.584 1.00 0.00 C ATOM 1451 NZ LYS A 97 17.039 7.069 7.828 1.00 0.00 N ATOM 0 H LYS A 97 18.633 9.429 2.950 1.00 0.00 H new ATOM 0 HA LYS A 97 18.844 12.132 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.902 11.130 6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.625 10.439 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.964 8.436 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 97 20.340 9.137 5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.492 7.904 7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.577 9.377 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.648 8.468 6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.560 7.061 5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.908 6.058 7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.781 7.182 8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.147 7.468 8.184 1.00 0.00 H new ATOM 1465 N SER A 98 21.170 12.307 4.972 1.00 0.00 N ATOM 1466 CA SER A 98 22.574 12.598 5.239 1.00 0.00 C ATOM 1467 C SER A 98 23.187 11.533 6.144 1.00 0.00 C ATOM 1468 O SER A 98 23.538 11.805 7.292 1.00 0.00 O ATOM 1469 CB SER A 98 22.716 13.977 5.886 1.00 0.00 C ATOM 1470 OG SER A 98 24.017 14.502 5.687 1.00 0.00 O ATOM 0 H SER A 98 20.512 12.890 5.490 1.00 0.00 H new ATOM 0 HA SER A 98 23.108 12.593 4.289 1.00 0.00 H new ATOM 0 HB2 SER A 98 21.977 14.658 5.464 1.00 0.00 H new ATOM 0 HB3 SER A 98 22.509 13.904 6.954 1.00 0.00 H new ATOM 0 HG SER A 98 24.082 15.384 6.108 1.00 0.00 H new ATOM 1476 N GLY A 99 23.311 10.319 5.618 1.00 0.00 N ATOM 1477 CA GLY A 99 23.881 9.230 6.391 1.00 0.00 C ATOM 1478 C GLY A 99 22.977 8.015 6.435 1.00 0.00 C ATOM 1479 O GLY A 99 22.213 7.817 7.380 1.00 0.00 O ATOM 0 H GLY A 99 23.027 10.069 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 99 24.842 8.948 5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 99 24.074 9.572 7.408 1.00 0.00 H new ATOM 1483 N PRO A 100 23.055 7.176 5.392 1.00 0.00 N ATOM 1484 CA PRO A 100 22.243 5.959 5.292 1.00 0.00 C ATOM 1485 C PRO A 100 22.662 4.898 6.303 1.00 0.00 C ATOM 1486 O PRO A 100 22.057 3.829 6.382 1.00 0.00 O ATOM 1487 CB PRO A 100 22.508 5.473 3.865 1.00 0.00 C ATOM 1488 CG PRO A 100 23.846 6.029 3.517 1.00 0.00 C ATOM 1489 CD PRO A 100 23.943 7.349 4.230 1.00 0.00 C ATOM 0 HA PRO A 100 21.191 6.152 5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 100 22.506 4.384 3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 100 21.741 5.828 3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 100 24.643 5.355 3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 100 23.947 6.159 2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 100 24.967 7.566 4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 100 23.618 8.173 3.595 1.00 0.00 H new ATOM 1497 N SER A 101 23.701 5.200 7.075 1.00 0.00 N ATOM 1498 CA SER A 101 24.203 4.269 8.080 1.00 0.00 C ATOM 1499 C SER A 101 23.051 3.612 8.835 1.00 0.00 C ATOM 1500 O SER A 101 21.934 4.128 8.856 1.00 0.00 O ATOM 1501 CB SER A 101 25.124 4.995 9.062 1.00 0.00 C ATOM 1502 OG SER A 101 26.341 5.369 8.439 1.00 0.00 O ATOM 0 H SER A 101 24.212 6.082 7.024 1.00 0.00 H new ATOM 0 HA SER A 101 24.770 3.491 7.569 1.00 0.00 H new ATOM 0 HB2 SER A 101 24.622 5.882 9.448 1.00 0.00 H new ATOM 0 HB3 SER A 101 25.332 4.350 9.915 1.00 0.00 H new ATOM 0 HG SER A 101 26.911 5.833 9.087 1.00 0.00 H new ATOM 1508 N SER A 102 23.333 2.471 9.455 1.00 0.00 N ATOM 1509 CA SER A 102 22.321 1.740 10.209 1.00 0.00 C ATOM 1510 C SER A 102 21.439 2.698 11.004 1.00 0.00 C ATOM 1511 O SER A 102 20.214 2.580 11.000 1.00 0.00 O ATOM 1512 CB SER A 102 22.985 0.737 11.155 1.00 0.00 C ATOM 1513 OG SER A 102 23.792 1.398 12.114 1.00 0.00 O ATOM 0 H SER A 102 24.254 2.032 9.450 1.00 0.00 H new ATOM 0 HA SER A 102 21.694 1.200 9.499 1.00 0.00 H new ATOM 0 HB2 SER A 102 22.220 0.149 11.662 1.00 0.00 H new ATOM 0 HB3 SER A 102 23.595 0.039 10.581 1.00 0.00 H new ATOM 0 HG SER A 102 24.204 0.736 12.707 1.00 0.00 H new ATOM 1519 N GLY A 103 22.071 3.649 11.685 1.00 0.00 N ATOM 1520 CA GLY A 103 21.329 4.614 12.475 1.00 0.00 C ATOM 1521 C GLY A 103 21.460 4.367 13.965 1.00 0.00 C ATOM 1522 O GLY A 103 20.546 4.665 14.733 1.00 0.00 O ATOM 0 H GLY A 103 23.084 3.768 11.704 1.00 0.00 H new ATOM 0 HA2 GLY A 103 21.684 5.618 12.244 1.00 0.00 H new ATOM 0 HA3 GLY A 103 20.276 4.576 12.195 1.00 0.00 H new TER 1526 GLY A 103