USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 960 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 20 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 LYS NZ :NH3+ -111:sc= 0.219 (180deg=-0.288) USER MOD Set 2.1: A 15 HIS : no HD1:sc= -0.978 K(o=-0.96,f=-2.2) USER MOD Set 2.2: A 89 THR OG1 : rot 180:sc= 0.0209 USER MOD Set 3.1: A 74 ASN : amide:sc= -3.59! K(o=-3.7!,f=-2.3) USER MOD Set 3.2: A 77 ASN : amide:sc= -0.116 K(o=-3.7,f=-5.5) USER MOD Set 4.1: A 51 THR OG1 : rot 163:sc= -0.451 USER MOD Set 4.2: A 53 TYR OH : rot 180:sc= 0.00896 USER MOD Set 5.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 27 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.3) USER MOD Single : A 1 LYS N :NH3+ -170:sc= 0 (180deg=-0.0657) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -152:sc= -11.4! (180deg=-14.2!) USER MOD Single : A 13 LYS NZ :NH3+ -155:sc=0.000944 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.756 K(o=-0.76,f=-1.5!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -93:sc= -1.91! USER MOD Single : A 37 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.983 K(o=-0.98,f=-5.4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00499 USER MOD Single : A 44 ASN : amide:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 38:sc= 0.451 USER MOD Single : A 57 GLN : amide:sc= -2.07! C(o=-2.1!,f=-2.1!) USER MOD Single : A 59 ASN : amide:sc= -3.82! C(o=-3.8!,f=-6.5!) USER MOD Single : A 60 SER OG : rot -118:sc= 0.729 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.413 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0471 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00102 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -51:sc= 0.467 USER MOD Single : A 91 SER OG : rot 180:sc= -0.606 USER MOD Single : A 93 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.25) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 177:sc= -0.369 USER MOD Single : A 103 ASN : amide:sc= -1.46! C(o=-1.5!,f=-1.5!) USER MOD Single : A 105 MET CE :methyl -133:sc= -0.462 (180deg=-2.98) USER MOD Single : A 106 ASN : amide:sc=-0.00283 X(o=-0.0028,f=-0.24) USER MOD Single : A 113 ASN : amide:sc= -0.0049 K(o=-0.0049,f=-1.3) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.420 -9.705 0.399 1.00 0.00 N ATOM 2 CA LYS A 1 -6.116 -10.413 0.464 1.00 0.00 C ATOM 3 C LYS A 1 -4.954 -9.426 0.520 1.00 0.00 C ATOM 4 O LYS A 1 -4.944 -8.425 -0.194 1.00 0.00 O ATOM 5 CB LYS A 1 -5.986 -11.310 -0.769 1.00 0.00 C ATOM 6 CG LYS A 1 -6.872 -12.545 -0.718 1.00 0.00 C ATOM 7 CD LYS A 1 -6.762 -13.361 -1.997 1.00 0.00 C ATOM 8 CE LYS A 1 -7.975 -13.158 -2.892 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.320 -14.395 -3.647 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.193 -10.388 0.532 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.462 -8.985 1.148 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.520 -9.246 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.081 -11.014 1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.235 -10.730 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -4.947 -11.622 -0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.589 -13.162 0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.909 -12.245 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.859 -13.075 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.664 -14.418 -1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.827 -12.853 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.777 -12.347 -3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.152 -14.216 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.516 -14.672 -4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.534 -15.162 -2.978 1.00 0.00 H new ATOM 25 N VAL A 2 -3.979 -9.717 1.375 1.00 0.00 N ATOM 26 CA VAL A 2 -2.812 -8.856 1.526 1.00 0.00 C ATOM 27 C VAL A 2 -1.553 -9.532 0.996 1.00 0.00 C ATOM 28 O VAL A 2 -1.212 -10.637 1.417 1.00 0.00 O ATOM 29 CB VAL A 2 -2.577 -8.469 3.002 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.280 -7.691 3.159 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.741 -7.658 3.540 1.00 0.00 C ATOM 0 H VAL A 2 -3.974 -10.543 1.974 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.016 -7.956 0.946 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.500 -9.390 3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.137 -7.430 4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.445 -8.304 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.327 -6.781 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.552 -7.397 4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.852 -6.747 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.656 -8.247 3.473 1.00 0.00 H new ATOM 41 N PHE A 3 -0.842 -8.853 0.097 1.00 0.00 N ATOM 42 CA PHE A 3 0.397 -9.389 -0.447 1.00 0.00 C ATOM 43 C PHE A 3 1.484 -9.362 0.616 1.00 0.00 C ATOM 44 O PHE A 3 1.275 -8.863 1.722 1.00 0.00 O ATOM 45 CB PHE A 3 0.873 -8.560 -1.642 1.00 0.00 C ATOM 46 CG PHE A 3 -0.029 -8.591 -2.841 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.966 -9.597 -3.013 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.078 -7.607 -3.806 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.780 -9.615 -4.129 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.729 -7.621 -4.921 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.660 -8.624 -5.085 1.00 0.00 C ATOM 0 H PHE A 3 -1.104 -7.936 -0.266 1.00 0.00 H new ATOM 0 HA PHE A 3 0.204 -10.412 -0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.990 -7.525 -1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.860 -8.915 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.061 -10.374 -2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.804 -6.817 -3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.509 -10.402 -4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.633 -6.846 -5.667 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.295 -8.636 -5.959 1.00 0.00 H new ATOM 61 N GLY A 4 2.652 -9.878 0.267 1.00 0.00 N ATOM 62 CA GLY A 4 3.768 -9.880 1.189 1.00 0.00 C ATOM 63 C GLY A 4 4.714 -8.733 0.904 1.00 0.00 C ATOM 64 O GLY A 4 4.295 -7.692 0.396 1.00 0.00 O ATOM 0 H GLY A 4 2.848 -10.297 -0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.399 -9.805 2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.305 -10.826 1.113 1.00 0.00 H new ATOM 68 N ARG A 5 5.989 -8.914 1.220 1.00 0.00 N ATOM 69 CA ARG A 5 6.980 -7.873 0.977 1.00 0.00 C ATOM 70 C ARG A 5 7.598 -8.024 -0.401 1.00 0.00 C ATOM 71 O ARG A 5 7.541 -7.105 -1.218 1.00 0.00 O ATOM 72 CB ARG A 5 8.067 -7.903 2.052 1.00 0.00 C ATOM 73 CG ARG A 5 7.545 -7.631 3.453 1.00 0.00 C ATOM 74 CD ARG A 5 8.573 -8.001 4.512 1.00 0.00 C ATOM 75 NE ARG A 5 8.419 -9.379 4.968 1.00 0.00 N ATOM 76 CZ ARG A 5 8.879 -9.827 6.132 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.521 -9.007 6.955 1.00 0.00 N ATOM 78 NH2 ARG A 5 8.697 -11.095 6.476 1.00 0.00 N ATOM 0 H ARG A 5 6.360 -9.765 1.642 1.00 0.00 H new ATOM 0 HA ARG A 5 6.473 -6.909 1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.554 -8.878 2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.829 -7.163 1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.287 -6.576 3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.630 -8.200 3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.576 -7.863 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.477 -7.325 5.362 1.00 0.00 H new ATOM 0 HE ARG A 5 7.931 -10.036 4.359 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.662 -8.031 6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.873 -9.353 7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.203 -11.728 5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.051 -11.437 7.370 1.00 0.00 H new ATOM 92 N CYS A 6 8.188 -9.182 -0.662 1.00 0.00 N ATOM 93 CA CYS A 6 8.807 -9.423 -1.953 1.00 0.00 C ATOM 94 C CYS A 6 7.788 -9.914 -2.966 1.00 0.00 C ATOM 95 O CYS A 6 7.854 -9.547 -4.131 1.00 0.00 O ATOM 96 CB CYS A 6 9.944 -10.425 -1.841 1.00 0.00 C ATOM 97 SG CYS A 6 11.025 -10.170 -0.399 1.00 0.00 S ATOM 0 H CYS A 6 8.250 -9.959 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 6 9.214 -8.472 -2.297 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.524 -11.430 -1.793 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.548 -10.375 -2.747 1.00 0.00 H new ATOM 102 N GLU A 7 6.840 -10.734 -2.523 1.00 0.00 N ATOM 103 CA GLU A 7 5.810 -11.239 -3.425 1.00 0.00 C ATOM 104 C GLU A 7 5.275 -10.085 -4.257 1.00 0.00 C ATOM 105 O GLU A 7 5.247 -10.139 -5.490 1.00 0.00 O ATOM 106 CB GLU A 7 4.676 -11.897 -2.636 1.00 0.00 C ATOM 107 CG GLU A 7 3.823 -12.838 -3.470 1.00 0.00 C ATOM 108 CD GLU A 7 3.647 -14.197 -2.820 1.00 0.00 C ATOM 109 OE1 GLU A 7 4.600 -15.003 -2.862 1.00 0.00 O ATOM 110 OE2 GLU A 7 2.556 -14.454 -2.269 1.00 0.00 O ATOM 0 H GLU A 7 6.763 -11.059 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 7 6.243 -11.994 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.101 -12.450 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.039 -11.120 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.844 -12.387 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.282 -12.965 -4.451 1.00 0.00 H new ATOM 117 N LEU A 8 4.880 -9.024 -3.565 1.00 0.00 N ATOM 118 CA LEU A 8 4.376 -7.832 -4.217 1.00 0.00 C ATOM 119 C LEU A 8 5.480 -7.172 -5.037 1.00 0.00 C ATOM 120 O LEU A 8 5.230 -6.711 -6.147 1.00 0.00 O ATOM 121 CB LEU A 8 3.823 -6.848 -3.177 1.00 0.00 C ATOM 122 CG LEU A 8 3.233 -5.541 -3.730 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.302 -4.464 -3.821 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.580 -5.758 -5.092 1.00 0.00 C ATOM 0 H LEU A 8 4.901 -8.969 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 8 3.566 -8.118 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.050 -7.356 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.625 -6.596 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 8 2.461 -5.208 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.863 -3.548 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.711 -4.273 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.100 -4.798 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.173 -4.814 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.324 -6.127 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.776 -6.488 -4.998 1.00 0.00 H new ATOM 136 N ALA A 9 6.704 -7.132 -4.492 1.00 0.00 N ATOM 137 CA ALA A 9 7.826 -6.519 -5.199 1.00 0.00 C ATOM 138 C ALA A 9 8.083 -7.208 -6.531 1.00 0.00 C ATOM 139 O ALA A 9 8.151 -6.552 -7.568 1.00 0.00 O ATOM 140 CB ALA A 9 9.078 -6.530 -4.343 1.00 0.00 C ATOM 0 H ALA A 9 6.936 -7.513 -3.575 1.00 0.00 H new ATOM 0 HA ALA A 9 7.559 -5.482 -5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.898 -6.068 -4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.896 -5.971 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.341 -7.559 -4.096 1.00 0.00 H new ATOM 146 N ALA A 10 8.215 -8.531 -6.505 1.00 0.00 N ATOM 147 CA ALA A 10 8.446 -9.292 -7.721 1.00 0.00 C ATOM 148 C ALA A 10 7.407 -8.909 -8.759 1.00 0.00 C ATOM 149 O ALA A 10 7.717 -8.768 -9.942 1.00 0.00 O ATOM 150 CB ALA A 10 8.394 -10.785 -7.434 1.00 0.00 C ATOM 0 H ALA A 10 8.166 -9.094 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 10 9.438 -9.060 -8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.569 -11.339 -8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.162 -11.042 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.413 -11.045 -7.035 1.00 0.00 H new ATOM 156 N ALA A 11 6.173 -8.717 -8.299 1.00 0.00 N ATOM 157 CA ALA A 11 5.093 -8.322 -9.188 1.00 0.00 C ATOM 158 C ALA A 11 5.379 -6.959 -9.778 1.00 0.00 C ATOM 159 O ALA A 11 5.097 -6.690 -10.946 1.00 0.00 O ATOM 160 CB ALA A 11 3.760 -8.331 -8.455 1.00 0.00 C ATOM 0 H ALA A 11 5.901 -8.829 -7.322 1.00 0.00 H new ATOM 0 HA ALA A 11 5.028 -9.044 -10.002 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.966 -8.032 -9.140 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.557 -9.334 -8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.800 -7.633 -7.619 1.00 0.00 H new ATOM 166 N MET A 12 5.957 -6.115 -8.953 1.00 0.00 N ATOM 167 CA MET A 12 6.320 -4.759 -9.361 1.00 0.00 C ATOM 168 C MET A 12 7.354 -4.801 -10.476 1.00 0.00 C ATOM 169 O MET A 12 7.205 -4.138 -11.503 1.00 0.00 O ATOM 170 CB MET A 12 6.893 -3.968 -8.187 1.00 0.00 C ATOM 171 CG MET A 12 6.131 -4.151 -6.889 1.00 0.00 C ATOM 172 SD MET A 12 4.554 -3.282 -6.888 1.00 0.00 S ATOM 173 CE MET A 12 5.085 -1.657 -7.408 1.00 0.00 C ATOM 0 H MET A 12 6.191 -6.338 -7.986 1.00 0.00 H new ATOM 0 HA MET A 12 5.414 -4.268 -9.715 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.930 -4.267 -8.033 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.901 -2.909 -8.445 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.957 -5.214 -6.720 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.741 -3.792 -6.060 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.406 -0.906 -7.005 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.094 -1.469 -7.040 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.080 -1.604 -8.497 1.00 0.00 H new ATOM 183 N LYS A 13 8.403 -5.590 -10.259 1.00 0.00 N ATOM 184 CA LYS A 13 9.473 -5.732 -11.238 1.00 0.00 C ATOM 185 C LYS A 13 8.890 -6.059 -12.601 1.00 0.00 C ATOM 186 O LYS A 13 9.198 -5.402 -13.596 1.00 0.00 O ATOM 187 CB LYS A 13 10.452 -6.826 -10.807 1.00 0.00 C ATOM 188 CG LYS A 13 11.776 -6.784 -11.550 1.00 0.00 C ATOM 189 CD LYS A 13 11.901 -7.935 -12.534 1.00 0.00 C ATOM 190 CE LYS A 13 12.632 -9.118 -11.919 1.00 0.00 C ATOM 191 NZ LYS A 13 11.763 -10.323 -11.830 1.00 0.00 N ATOM 0 H LYS A 13 8.533 -6.142 -9.411 1.00 0.00 H new ATOM 0 HA LYS A 13 10.015 -4.788 -11.301 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.642 -6.732 -9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.988 -7.800 -10.964 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.865 -5.837 -12.083 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.597 -6.825 -10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.908 -8.248 -12.857 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.435 -7.599 -13.423 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.514 -9.350 -12.516 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.983 -8.849 -10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.104 -10.941 -11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.785 -10.032 -11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.792 -10.839 -12.732 1.00 0.00 H new ATOM 205 N ARG A 14 8.035 -7.074 -12.636 1.00 0.00 N ATOM 206 CA ARG A 14 7.394 -7.483 -13.872 1.00 0.00 C ATOM 207 C ARG A 14 6.534 -6.348 -14.411 1.00 0.00 C ATOM 208 O ARG A 14 6.419 -6.166 -15.624 1.00 0.00 O ATOM 209 CB ARG A 14 6.536 -8.729 -13.643 1.00 0.00 C ATOM 210 CG ARG A 14 7.073 -9.971 -14.335 1.00 0.00 C ATOM 211 CD ARG A 14 6.401 -11.232 -13.816 1.00 0.00 C ATOM 212 NE ARG A 14 7.344 -12.111 -13.130 1.00 0.00 N ATOM 213 CZ ARG A 14 7.783 -13.260 -13.635 1.00 0.00 C ATOM 214 NH1 ARG A 14 7.366 -13.666 -14.827 1.00 0.00 N ATOM 215 NH2 ARG A 14 8.640 -14.003 -12.949 1.00 0.00 N ATOM 0 H ARG A 14 7.772 -7.627 -11.820 1.00 0.00 H new ATOM 0 HA ARG A 14 8.166 -7.723 -14.603 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.467 -8.921 -12.572 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.524 -8.534 -13.998 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.913 -9.888 -15.410 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.149 -10.040 -14.178 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.597 -10.959 -13.133 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.945 -11.768 -14.648 1.00 0.00 H new ATOM 0 HE ARG A 14 7.685 -11.828 -12.212 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.707 -13.096 -15.358 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.704 -14.548 -15.212 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.963 -13.694 -12.032 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.976 -14.884 -13.338 1.00 0.00 H new ATOM 229 N HIS A 15 5.907 -5.604 -13.502 1.00 0.00 N ATOM 230 CA HIS A 15 5.031 -4.507 -13.885 1.00 0.00 C ATOM 231 C HIS A 15 5.815 -3.273 -14.316 1.00 0.00 C ATOM 232 O HIS A 15 5.225 -2.297 -14.781 1.00 0.00 O ATOM 233 CB HIS A 15 4.107 -4.147 -12.721 1.00 0.00 C ATOM 234 CG HIS A 15 2.831 -4.932 -12.697 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.165 -5.248 -11.533 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.097 -5.462 -13.704 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.078 -5.939 -11.823 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.013 -6.083 -13.133 1.00 0.00 N ATOM 0 H HIS A 15 5.992 -5.744 -12.495 1.00 0.00 H new ATOM 0 HA HIS A 15 4.442 -4.842 -14.739 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.639 -4.308 -11.784 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.868 -3.085 -12.774 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.322 -5.407 -14.759 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.363 -6.321 -11.109 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.277 -6.576 -13.639 1.00 0.00 H new ATOM 247 N GLY A 16 7.143 -3.324 -14.219 1.00 0.00 N ATOM 248 CA GLY A 16 7.958 -2.209 -14.665 1.00 0.00 C ATOM 249 C GLY A 16 7.990 -1.008 -13.736 1.00 0.00 C ATOM 250 O GLY A 16 8.250 0.102 -14.200 1.00 0.00 O ATOM 0 H GLY A 16 7.665 -4.115 -13.841 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.979 -2.563 -14.808 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.594 -1.883 -15.639 1.00 0.00 H new ATOM 254 N LEU A 17 7.739 -1.183 -12.438 1.00 0.00 N ATOM 255 CA LEU A 17 7.770 -0.034 -11.538 1.00 0.00 C ATOM 256 C LEU A 17 9.149 0.146 -10.934 1.00 0.00 C ATOM 257 O LEU A 17 9.404 1.100 -10.204 1.00 0.00 O ATOM 258 CB LEU A 17 6.723 -0.156 -10.428 1.00 0.00 C ATOM 259 CG LEU A 17 5.367 -0.740 -10.838 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.255 -0.123 -10.004 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.082 -0.518 -12.320 1.00 0.00 C ATOM 0 H LEU A 17 7.519 -2.077 -11.999 1.00 0.00 H new ATOM 0 HA LEU A 17 7.530 0.846 -12.134 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.137 -0.777 -9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.556 0.834 -10.005 1.00 0.00 H new ATOM 0 HG LEU A 17 5.405 -1.814 -10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.297 -0.546 -10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.430 -0.336 -8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.240 0.956 -10.159 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.112 -0.946 -12.572 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.073 0.551 -12.533 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.857 -1.000 -12.916 1.00 0.00 H new ATOM 273 N ASP A 18 10.037 -0.771 -11.255 1.00 0.00 N ATOM 274 CA ASP A 18 11.402 -0.710 -10.751 1.00 0.00 C ATOM 275 C ASP A 18 12.189 0.387 -11.466 1.00 0.00 C ATOM 276 O ASP A 18 12.707 0.190 -12.566 1.00 0.00 O ATOM 277 CB ASP A 18 12.095 -2.067 -10.899 1.00 0.00 C ATOM 278 CG ASP A 18 13.602 -1.947 -11.029 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.252 -1.535 -10.045 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.131 -2.265 -12.115 1.00 0.00 O ATOM 0 H ASP A 18 9.843 -1.568 -11.861 1.00 0.00 H new ATOM 0 HA ASP A 18 11.366 -0.465 -9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.858 -2.687 -10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.699 -2.578 -11.776 1.00 0.00 H new ATOM 285 N ASN A 19 12.264 1.544 -10.816 1.00 0.00 N ATOM 286 CA ASN A 19 12.975 2.705 -11.345 1.00 0.00 C ATOM 287 C ASN A 19 12.331 3.213 -12.617 1.00 0.00 C ATOM 288 O ASN A 19 13.001 3.752 -13.498 1.00 0.00 O ATOM 289 CB ASN A 19 14.450 2.378 -11.585 1.00 0.00 C ATOM 290 CG ASN A 19 15.375 3.197 -10.705 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.128 2.652 -9.898 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.322 4.515 -10.856 1.00 0.00 N ATOM 0 H ASN A 19 11.833 1.704 -9.906 1.00 0.00 H new ATOM 0 HA ASN A 19 12.914 3.496 -10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.619 1.318 -11.398 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.694 2.560 -12.632 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.920 5.118 -10.291 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.683 4.925 -11.537 1.00 0.00 H new ATOM 299 N TYR A 20 11.020 3.066 -12.687 1.00 0.00 N ATOM 300 CA TYR A 20 10.278 3.544 -13.837 1.00 0.00 C ATOM 301 C TYR A 20 10.354 5.056 -13.832 1.00 0.00 C ATOM 302 O TYR A 20 10.837 5.625 -12.855 1.00 0.00 O ATOM 303 CB TYR A 20 8.822 3.076 -13.768 1.00 0.00 C ATOM 304 CG TYR A 20 8.016 3.393 -15.008 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.262 2.739 -16.208 1.00 0.00 C ATOM 306 CD2 TYR A 20 7.006 4.347 -14.976 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.525 3.027 -17.342 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.264 4.640 -16.105 1.00 0.00 C ATOM 309 CZ TYR A 20 6.528 3.978 -17.285 1.00 0.00 C ATOM 310 OH TYR A 20 5.793 4.266 -18.411 1.00 0.00 O ATOM 0 H TYR A 20 10.451 2.622 -11.966 1.00 0.00 H new ATOM 0 HA TYR A 20 10.704 3.146 -14.758 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.805 1.999 -13.601 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.342 3.540 -12.906 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.042 1.993 -16.256 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.797 4.868 -14.053 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.729 2.510 -18.268 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.482 5.383 -16.063 1.00 0.00 H new ATOM 0 HH TYR A 20 5.130 4.957 -18.201 1.00 0.00 H new ATOM 320 N ARG A 21 9.915 5.701 -14.914 1.00 0.00 N ATOM 321 CA ARG A 21 9.958 7.158 -15.007 1.00 0.00 C ATOM 322 C ARG A 21 9.933 7.777 -13.613 1.00 0.00 C ATOM 323 O ARG A 21 10.617 8.762 -13.339 1.00 0.00 O ATOM 324 CB ARG A 21 8.779 7.675 -15.833 1.00 0.00 C ATOM 325 CG ARG A 21 8.751 7.140 -17.256 1.00 0.00 C ATOM 326 CD ARG A 21 9.013 8.240 -18.271 1.00 0.00 C ATOM 327 NE ARG A 21 8.340 7.986 -19.540 1.00 0.00 N ATOM 328 CZ ARG A 21 7.533 8.860 -20.136 1.00 0.00 C ATOM 329 NH1 ARG A 21 7.301 10.041 -19.579 1.00 0.00 N ATOM 330 NH2 ARG A 21 6.958 8.552 -21.291 1.00 0.00 N ATOM 0 H ARG A 21 9.527 5.237 -15.735 1.00 0.00 H new ATOM 0 HA ARG A 21 10.885 7.446 -15.503 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.849 7.403 -15.333 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.818 8.764 -15.864 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.501 6.356 -17.366 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.781 6.684 -17.455 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.675 9.194 -17.866 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.086 8.328 -18.441 1.00 0.00 H new ATOM 0 HE ARG A 21 8.497 7.087 -19.996 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.742 10.282 -18.691 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.682 10.709 -20.038 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.134 7.645 -21.723 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.339 9.222 -21.748 1.00 0.00 H new ATOM 344 N GLY A 22 9.138 7.169 -12.737 1.00 0.00 N ATOM 345 CA GLY A 22 9.025 7.635 -11.374 1.00 0.00 C ATOM 346 C GLY A 22 10.183 7.182 -10.507 1.00 0.00 C ATOM 347 O GLY A 22 11.261 7.774 -10.549 1.00 0.00 O ATOM 0 H GLY A 22 8.566 6.353 -12.955 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.976 8.724 -11.369 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.091 7.272 -10.946 1.00 0.00 H new ATOM 351 N TYR A 23 9.957 6.151 -9.691 1.00 0.00 N ATOM 352 CA TYR A 23 11.004 5.672 -8.792 1.00 0.00 C ATOM 353 C TYR A 23 11.227 4.168 -8.850 1.00 0.00 C ATOM 354 O TYR A 23 10.575 3.446 -9.604 1.00 0.00 O ATOM 355 CB TYR A 23 10.696 6.097 -7.358 1.00 0.00 C ATOM 356 CG TYR A 23 11.007 7.551 -7.080 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.242 8.563 -7.645 1.00 0.00 C ATOM 358 CD2 TYR A 23 12.066 7.910 -6.258 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.522 9.892 -7.399 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.354 9.239 -6.007 1.00 0.00 C ATOM 361 CZ TYR A 23 11.579 10.226 -6.579 1.00 0.00 C ATOM 362 OH TYR A 23 11.863 11.549 -6.331 1.00 0.00 O ATOM 0 H TYR A 23 9.075 5.641 -9.635 1.00 0.00 H new ATOM 0 HA TYR A 23 11.931 6.131 -9.135 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.642 5.913 -7.151 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.269 5.473 -6.672 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.413 8.306 -8.288 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.674 7.140 -5.808 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.916 10.666 -7.846 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.182 9.503 -5.366 1.00 0.00 H new ATOM 0 HH TYR A 23 12.637 11.611 -5.733 1.00 0.00 H new ATOM 372 N SER A 24 12.191 3.720 -8.041 1.00 0.00 N ATOM 373 CA SER A 24 12.574 2.318 -7.971 1.00 0.00 C ATOM 374 C SER A 24 11.652 1.514 -7.066 1.00 0.00 C ATOM 375 O SER A 24 10.881 2.068 -6.282 1.00 0.00 O ATOM 376 CB SER A 24 14.016 2.193 -7.476 1.00 0.00 C ATOM 377 OG SER A 24 14.129 2.606 -6.126 1.00 0.00 O ATOM 0 H SER A 24 12.725 4.325 -7.417 1.00 0.00 H new ATOM 0 HA SER A 24 12.489 1.909 -8.978 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.349 1.159 -7.572 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.672 2.799 -8.101 1.00 0.00 H new ATOM 0 HG SER A 24 15.060 2.515 -5.833 1.00 0.00 H new ATOM 383 N LEU A 25 11.754 0.197 -7.198 1.00 0.00 N ATOM 384 CA LEU A 25 10.958 -0.744 -6.423 1.00 0.00 C ATOM 385 C LEU A 25 10.826 -0.319 -4.961 1.00 0.00 C ATOM 386 O LEU A 25 9.716 -0.201 -4.444 1.00 0.00 O ATOM 387 CB LEU A 25 11.598 -2.128 -6.510 1.00 0.00 C ATOM 388 CG LEU A 25 10.903 -3.094 -7.459 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.906 -4.065 -8.059 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.800 -3.842 -6.730 1.00 0.00 C ATOM 0 H LEU A 25 12.397 -0.250 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 25 9.952 -0.765 -6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.635 -2.014 -6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.614 -2.569 -5.513 1.00 0.00 H new ATOM 0 HG LEU A 25 10.455 -2.524 -8.272 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.392 -4.748 -8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.664 -3.510 -8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.383 -4.634 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.310 -4.530 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.228 -4.404 -5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.069 -3.130 -6.347 1.00 0.00 H new ATOM 402 N GLY A 26 11.961 -0.112 -4.296 1.00 0.00 N ATOM 403 CA GLY A 26 11.954 0.277 -2.894 1.00 0.00 C ATOM 404 C GLY A 26 10.909 1.327 -2.557 1.00 0.00 C ATOM 405 O GLY A 26 10.288 1.271 -1.495 1.00 0.00 O ATOM 0 H GLY A 26 12.890 -0.207 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.778 -0.607 -2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.939 0.659 -2.627 1.00 0.00 H new ATOM 409 N ASN A 27 10.715 2.286 -3.456 1.00 0.00 N ATOM 410 CA ASN A 27 9.739 3.352 -3.238 1.00 0.00 C ATOM 411 C ASN A 27 8.312 2.811 -3.304 1.00 0.00 C ATOM 412 O ASN A 27 7.430 3.263 -2.573 1.00 0.00 O ATOM 413 CB ASN A 27 9.926 4.459 -4.274 1.00 0.00 C ATOM 414 CG ASN A 27 11.229 5.212 -4.089 1.00 0.00 C ATOM 415 OD1 ASN A 27 11.264 6.267 -3.456 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.308 4.672 -4.641 1.00 0.00 N ATOM 0 H ASN A 27 11.218 2.349 -4.341 1.00 0.00 H new ATOM 0 HA ASN A 27 9.904 3.763 -2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.899 4.025 -5.274 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.093 5.159 -4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.213 5.133 -4.549 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.232 3.796 -5.157 1.00 0.00 H new ATOM 423 N TRP A 28 8.100 1.843 -4.185 1.00 0.00 N ATOM 424 CA TRP A 28 6.789 1.227 -4.361 1.00 0.00 C ATOM 425 C TRP A 28 6.430 0.325 -3.193 1.00 0.00 C ATOM 426 O TRP A 28 5.291 0.331 -2.725 1.00 0.00 O ATOM 427 CB TRP A 28 6.765 0.427 -5.653 1.00 0.00 C ATOM 428 CG TRP A 28 6.997 1.286 -6.845 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.177 1.475 -7.491 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.028 2.086 -7.522 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.010 2.359 -8.523 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.695 2.744 -8.570 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.661 2.309 -7.342 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.042 3.614 -9.438 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.007 3.169 -8.201 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.698 3.815 -9.241 1.00 0.00 C ATOM 0 H TRP A 28 8.825 1.464 -4.794 1.00 0.00 H new ATOM 0 HA TRP A 28 6.049 2.026 -4.406 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.528 -0.350 -5.612 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.803 -0.076 -5.750 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.110 0.998 -7.229 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.744 2.679 -9.154 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.125 1.817 -6.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.572 4.112 -10.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.950 3.348 -8.072 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.161 4.483 -9.898 1.00 0.00 H new ATOM 447 N VAL A 29 7.393 -0.462 -2.729 1.00 0.00 N ATOM 448 CA VAL A 29 7.162 -1.377 -1.625 1.00 0.00 C ATOM 449 C VAL A 29 6.896 -0.633 -0.328 1.00 0.00 C ATOM 450 O VAL A 29 5.928 -0.921 0.370 1.00 0.00 O ATOM 451 CB VAL A 29 8.367 -2.318 -1.432 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.155 -3.236 -0.237 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.620 -3.120 -2.700 1.00 0.00 C ATOM 0 H VAL A 29 8.342 -0.483 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 29 6.279 -1.964 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 29 9.249 -1.711 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.020 -3.890 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.032 -2.637 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.262 -3.840 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.474 -3.780 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.738 -3.716 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.829 -2.439 -3.525 1.00 0.00 H new ATOM 463 N CYS A 30 7.764 0.309 0.000 1.00 0.00 N ATOM 464 CA CYS A 30 7.614 1.075 1.226 1.00 0.00 C ATOM 465 C CYS A 30 6.304 1.861 1.234 1.00 0.00 C ATOM 466 O CYS A 30 5.592 1.877 2.240 1.00 0.00 O ATOM 467 CB CYS A 30 8.796 2.023 1.409 1.00 0.00 C ATOM 468 SG CYS A 30 8.782 2.907 2.998 1.00 0.00 S ATOM 0 H CYS A 30 8.577 0.561 -0.563 1.00 0.00 H new ATOM 0 HA CYS A 30 7.591 0.371 2.057 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.723 1.455 1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.796 2.751 0.598 1.00 0.00 H new ATOM 473 N ALA A 31 5.988 2.515 0.116 1.00 0.00 N ATOM 474 CA ALA A 31 4.766 3.301 0.017 1.00 0.00 C ATOM 475 C ALA A 31 3.527 2.425 0.161 1.00 0.00 C ATOM 476 O ALA A 31 2.603 2.763 0.897 1.00 0.00 O ATOM 477 CB ALA A 31 4.728 4.048 -1.307 1.00 0.00 C ATOM 0 H ALA A 31 6.561 2.514 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 31 4.765 4.021 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.810 4.632 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.587 4.715 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.760 3.333 -2.129 1.00 0.00 H new ATOM 483 N ALA A 32 3.514 1.304 -0.550 1.00 0.00 N ATOM 484 CA ALA A 32 2.384 0.383 -0.510 1.00 0.00 C ATOM 485 C ALA A 32 2.269 -0.312 0.843 1.00 0.00 C ATOM 486 O ALA A 32 1.181 -0.401 1.411 1.00 0.00 O ATOM 487 CB ALA A 32 2.507 -0.648 -1.622 1.00 0.00 C ATOM 0 H ALA A 32 4.275 1.010 -1.163 1.00 0.00 H new ATOM 0 HA ALA A 32 1.476 0.967 -0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.658 -1.330 -1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.521 -0.142 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.431 -1.212 -1.495 1.00 0.00 H new ATOM 493 N LYS A 33 3.393 -0.815 1.346 1.00 0.00 N ATOM 494 CA LYS A 33 3.426 -1.519 2.624 1.00 0.00 C ATOM 495 C LYS A 33 2.700 -0.746 3.714 1.00 0.00 C ATOM 496 O LYS A 33 1.784 -1.261 4.346 1.00 0.00 O ATOM 497 CB LYS A 33 4.873 -1.763 3.053 1.00 0.00 C ATOM 498 CG LYS A 33 5.002 -2.467 4.395 1.00 0.00 C ATOM 499 CD LYS A 33 6.422 -2.388 4.931 1.00 0.00 C ATOM 500 CE LYS A 33 6.785 -3.628 5.732 1.00 0.00 C ATOM 501 NZ LYS A 33 6.107 -3.652 7.056 1.00 0.00 N ATOM 0 H LYS A 33 4.300 -0.747 0.883 1.00 0.00 H new ATOM 0 HA LYS A 33 2.914 -2.471 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.373 -2.360 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.394 -0.807 3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.316 -2.015 5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.710 -3.512 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.119 -2.273 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.526 -1.504 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.510 -4.519 5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.865 -3.664 5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.381 -4.513 7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.389 -2.816 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.076 -3.644 6.918 1.00 0.00 H new ATOM 515 N PHE A 34 3.126 0.485 3.947 1.00 0.00 N ATOM 516 CA PHE A 34 2.516 1.302 4.986 1.00 0.00 C ATOM 517 C PHE A 34 1.171 1.862 4.559 1.00 0.00 C ATOM 518 O PHE A 34 0.363 2.258 5.401 1.00 0.00 O ATOM 519 CB PHE A 34 3.449 2.422 5.398 1.00 0.00 C ATOM 520 CG PHE A 34 4.353 2.066 6.544 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.871 2.038 7.842 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.686 1.757 6.322 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.700 1.711 8.898 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.521 1.429 7.373 1.00 0.00 C ATOM 525 CZ PHE A 34 6.027 1.406 8.663 1.00 0.00 C ATOM 0 H PHE A 34 3.884 0.938 3.437 1.00 0.00 H new ATOM 0 HA PHE A 34 2.339 0.653 5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.059 2.708 4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.856 3.294 5.672 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.834 2.275 8.031 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.077 1.773 5.315 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.311 1.694 9.905 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.558 1.191 7.186 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.677 1.150 9.487 1.00 0.00 H new ATOM 535 N GLU A 35 0.929 1.903 3.259 1.00 0.00 N ATOM 536 CA GLU A 35 -0.321 2.426 2.733 1.00 0.00 C ATOM 537 C GLU A 35 -1.513 1.565 3.133 1.00 0.00 C ATOM 538 O GLU A 35 -2.493 2.059 3.692 1.00 0.00 O ATOM 539 CB GLU A 35 -0.240 2.484 1.210 1.00 0.00 C ATOM 540 CG GLU A 35 -0.313 3.890 0.645 1.00 0.00 C ATOM 541 CD GLU A 35 0.231 3.969 -0.766 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.506 3.606 -1.705 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.396 4.386 -0.932 1.00 0.00 O ATOM 0 H GLU A 35 1.584 1.579 2.547 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.468 3.421 3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.693 2.021 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.052 1.891 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.349 4.229 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.249 4.568 1.288 1.00 0.00 H new ATOM 550 N SER A 36 -1.439 0.286 2.793 1.00 0.00 N ATOM 551 CA SER A 36 -2.535 -0.644 3.060 1.00 0.00 C ATOM 552 C SER A 36 -2.056 -1.910 3.758 1.00 0.00 C ATOM 553 O SER A 36 -2.791 -2.894 3.830 1.00 0.00 O ATOM 554 CB SER A 36 -3.202 -1.021 1.733 1.00 0.00 C ATOM 555 OG SER A 36 -2.227 -1.339 0.754 1.00 0.00 O ATOM 0 H SER A 36 -0.633 -0.135 2.331 1.00 0.00 H new ATOM 0 HA SER A 36 -3.243 -0.148 3.724 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.865 -1.873 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.820 -0.194 1.383 1.00 0.00 H new ATOM 0 HG SER A 36 -2.013 -0.537 0.233 1.00 0.00 H new ATOM 561 N ASN A 37 -0.821 -1.900 4.243 1.00 0.00 N ATOM 562 CA ASN A 37 -0.264 -3.078 4.894 1.00 0.00 C ATOM 563 C ASN A 37 -0.256 -4.227 3.896 1.00 0.00 C ATOM 564 O ASN A 37 -0.325 -5.395 4.265 1.00 0.00 O ATOM 565 CB ASN A 37 -1.079 -3.454 6.136 1.00 0.00 C ATOM 566 CG ASN A 37 -0.264 -4.236 7.147 1.00 0.00 C ATOM 567 OD1 ASN A 37 -0.563 -5.394 7.439 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.771 -3.604 7.688 1.00 0.00 N ATOM 0 H ASN A 37 -0.192 -1.098 4.199 1.00 0.00 H new ATOM 0 HA ASN A 37 0.753 -2.864 5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.461 -2.547 6.605 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.943 -4.046 5.835 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.356 -4.079 8.376 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.981 -2.644 7.416 1.00 0.00 H new ATOM 575 N PHE A 38 -0.164 -3.848 2.622 1.00 0.00 N ATOM 576 CA PHE A 38 -0.135 -4.763 1.490 1.00 0.00 C ATOM 577 C PHE A 38 -1.504 -5.368 1.235 1.00 0.00 C ATOM 578 O PHE A 38 -1.621 -6.404 0.588 1.00 0.00 O ATOM 579 CB PHE A 38 0.938 -5.836 1.671 1.00 0.00 C ATOM 580 CG PHE A 38 2.318 -5.311 1.392 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.579 -4.618 0.220 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.345 -5.492 2.303 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.838 -4.118 -0.041 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.608 -4.993 2.047 1.00 0.00 C ATOM 585 CZ PHE A 38 4.856 -4.305 0.873 1.00 0.00 C ATOM 0 H PHE A 38 -0.106 -2.868 2.345 1.00 0.00 H new ATOM 0 HA PHE A 38 0.132 -4.188 0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.897 -6.221 2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.728 -6.673 1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.786 -4.468 -0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.157 -6.028 3.222 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.027 -3.581 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.402 -5.140 2.764 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.843 -3.915 0.672 1.00 0.00 H new ATOM 595 N ASN A 39 -2.542 -4.691 1.713 1.00 0.00 N ATOM 596 CA ASN A 39 -3.907 -5.148 1.503 1.00 0.00 C ATOM 597 C ASN A 39 -4.428 -4.616 0.178 1.00 0.00 C ATOM 598 O ASN A 39 -4.661 -3.416 0.024 1.00 0.00 O ATOM 599 CB ASN A 39 -4.809 -4.697 2.652 1.00 0.00 C ATOM 600 CG ASN A 39 -6.183 -5.336 2.596 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.450 -6.194 1.755 1.00 0.00 O ATOM 602 ND2 ASN A 39 -7.065 -4.919 3.498 1.00 0.00 N ATOM 0 H ASN A 39 -2.463 -3.826 2.247 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.913 -6.238 1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.335 -4.946 3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.915 -3.613 2.623 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.006 -5.313 3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.801 -4.205 4.177 1.00 0.00 H new ATOM 609 N THR A 40 -4.585 -5.513 -0.782 1.00 0.00 N ATOM 610 CA THR A 40 -5.050 -5.143 -2.107 1.00 0.00 C ATOM 611 C THR A 40 -6.529 -4.814 -2.064 1.00 0.00 C ATOM 612 O THR A 40 -7.094 -4.266 -3.011 1.00 0.00 O ATOM 613 CB THR A 40 -4.804 -6.284 -3.112 1.00 0.00 C ATOM 614 OG1 THR A 40 -5.949 -7.143 -3.174 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.583 -7.099 -2.714 1.00 0.00 C ATOM 0 H THR A 40 -4.396 -6.509 -0.666 1.00 0.00 H new ATOM 0 HA THR A 40 -4.491 -4.265 -2.432 1.00 0.00 H new ATOM 0 HB THR A 40 -4.628 -5.840 -4.092 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.783 -7.864 -3.817 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.428 -7.899 -3.438 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.705 -6.453 -2.694 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.740 -7.530 -1.725 1.00 0.00 H new ATOM 623 N GLN A 41 -7.144 -5.174 -0.951 1.00 0.00 N ATOM 624 CA GLN A 41 -8.561 -4.952 -0.740 1.00 0.00 C ATOM 625 C GLN A 41 -8.814 -3.887 0.328 1.00 0.00 C ATOM 626 O GLN A 41 -9.959 -3.633 0.701 1.00 0.00 O ATOM 627 CB GLN A 41 -9.207 -6.272 -0.329 1.00 0.00 C ATOM 628 CG GLN A 41 -9.747 -7.080 -1.498 1.00 0.00 C ATOM 629 CD GLN A 41 -11.234 -6.875 -1.710 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.702 -5.745 -1.854 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.985 -7.969 -1.731 1.00 0.00 N ATOM 0 H GLN A 41 -6.673 -5.629 -0.169 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.000 -4.588 -1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.473 -6.873 0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.021 -6.067 0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.212 -6.801 -2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.551 -8.138 -1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.555 -8.885 -1.607 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.993 -7.893 -1.871 1.00 0.00 H new ATOM 640 N ALA A 42 -7.741 -3.279 0.825 1.00 0.00 N ATOM 641 CA ALA A 42 -7.850 -2.256 1.860 1.00 0.00 C ATOM 642 C ALA A 42 -8.482 -0.973 1.339 1.00 0.00 C ATOM 643 O ALA A 42 -8.157 -0.494 0.251 1.00 0.00 O ATOM 644 CB ALA A 42 -6.484 -1.949 2.448 1.00 0.00 C ATOM 0 H ALA A 42 -6.786 -3.477 0.528 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.502 -2.658 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.583 -1.184 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.065 -2.854 2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.822 -1.588 1.661 1.00 0.00 H new ATOM 650 N THR A 43 -9.375 -0.417 2.146 1.00 0.00 N ATOM 651 CA THR A 43 -10.061 0.826 1.815 1.00 0.00 C ATOM 652 C THR A 43 -9.794 1.869 2.897 1.00 0.00 C ATOM 653 O THR A 43 -9.872 1.565 4.087 1.00 0.00 O ATOM 654 CB THR A 43 -11.582 0.612 1.690 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.212 0.814 2.961 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.895 -0.788 1.182 1.00 0.00 C ATOM 0 H THR A 43 -9.644 -0.813 3.047 1.00 0.00 H new ATOM 0 HA THR A 43 -9.678 1.172 0.855 1.00 0.00 H new ATOM 0 HB THR A 43 -11.968 1.336 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.178 0.678 2.872 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.975 -0.913 1.103 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.440 -0.929 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.494 -1.525 1.877 1.00 0.00 H new ATOM 664 N ASN A 44 -9.473 3.095 2.491 1.00 0.00 N ATOM 665 CA ASN A 44 -9.192 4.160 3.451 1.00 0.00 C ATOM 666 C ASN A 44 -10.056 5.387 3.178 1.00 0.00 C ATOM 667 O ASN A 44 -9.763 6.178 2.282 1.00 0.00 O ATOM 668 CB ASN A 44 -7.712 4.543 3.400 1.00 0.00 C ATOM 669 CG ASN A 44 -7.028 4.384 4.744 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.044 3.654 4.870 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.546 5.068 5.757 1.00 0.00 N ATOM 0 H ASN A 44 -9.401 3.375 1.513 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.431 3.787 4.447 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.204 3.923 2.661 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.618 5.577 3.067 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.128 5.000 6.685 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.362 5.661 5.607 1.00 0.00 H new ATOM 678 N ARG A 45 -11.122 5.537 3.958 1.00 0.00 N ATOM 679 CA ARG A 45 -12.031 6.667 3.802 1.00 0.00 C ATOM 680 C ARG A 45 -11.469 7.920 4.466 1.00 0.00 C ATOM 681 O ARG A 45 -11.081 7.897 5.634 1.00 0.00 O ATOM 682 CB ARG A 45 -13.401 6.332 4.398 1.00 0.00 C ATOM 683 CG ARG A 45 -14.510 7.262 3.933 1.00 0.00 C ATOM 684 CD ARG A 45 -15.333 6.635 2.820 1.00 0.00 C ATOM 685 NE ARG A 45 -16.352 7.548 2.312 1.00 0.00 N ATOM 686 CZ ARG A 45 -17.656 7.388 2.519 1.00 0.00 C ATOM 687 NH1 ARG A 45 -18.097 6.353 3.223 1.00 0.00 N ATOM 688 NH2 ARG A 45 -18.520 8.262 2.024 1.00 0.00 N ATOM 0 H ARG A 45 -11.377 4.890 4.704 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.142 6.864 2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.662 5.307 4.133 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.335 6.374 5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.159 7.505 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.077 8.199 3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.673 6.338 2.005 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.811 5.728 3.190 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.047 8.355 1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.435 5.678 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.098 6.232 3.380 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.185 9.059 1.483 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.520 8.137 2.184 1.00 0.00 H new ATOM 702 N ASN A 46 -11.430 9.014 3.710 1.00 0.00 N ATOM 703 CA ASN A 46 -10.918 10.281 4.221 1.00 0.00 C ATOM 704 C ASN A 46 -12.048 11.283 4.424 1.00 0.00 C ATOM 705 O ASN A 46 -13.201 11.011 4.090 1.00 0.00 O ATOM 706 CB ASN A 46 -9.876 10.859 3.262 1.00 0.00 C ATOM 707 CG ASN A 46 -9.019 9.785 2.622 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.962 9.668 1.397 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.346 8.994 3.448 1.00 0.00 N ATOM 0 H ASN A 46 -11.747 9.048 2.741 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.448 10.090 5.186 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.381 11.429 2.482 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.236 11.556 3.803 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.752 8.254 3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.422 9.126 4.456 1.00 0.00 H new ATOM 716 N THR A 47 -11.706 12.442 4.974 1.00 0.00 N ATOM 717 CA THR A 47 -12.688 13.490 5.225 1.00 0.00 C ATOM 718 C THR A 47 -12.979 14.286 3.958 1.00 0.00 C ATOM 719 O THR A 47 -13.975 15.006 3.881 1.00 0.00 O ATOM 720 CB THR A 47 -12.210 14.455 6.326 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.916 14.974 5.995 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.151 13.753 7.674 1.00 0.00 C ATOM 0 H THR A 47 -10.755 12.680 5.255 1.00 0.00 H new ATOM 0 HA THR A 47 -13.601 12.995 5.557 1.00 0.00 H new ATOM 0 HB THR A 47 -12.924 15.276 6.393 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.620 15.588 6.699 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.811 14.455 8.435 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.143 13.386 7.937 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.457 12.915 7.618 1.00 0.00 H new ATOM 730 N ASP A 48 -12.104 14.153 2.965 1.00 0.00 N ATOM 731 CA ASP A 48 -12.269 14.860 1.701 1.00 0.00 C ATOM 732 C ASP A 48 -13.407 14.259 0.883 1.00 0.00 C ATOM 733 O ASP A 48 -13.844 14.838 -0.112 1.00 0.00 O ATOM 734 CB ASP A 48 -10.969 14.822 0.897 1.00 0.00 C ATOM 735 CG ASP A 48 -10.383 13.426 0.806 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.156 12.450 0.897 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.150 13.310 0.642 1.00 0.00 O ATOM 0 H ASP A 48 -11.274 13.562 3.012 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.518 15.897 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.156 15.200 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.241 15.489 1.358 1.00 0.00 H new ATOM 742 N GLY A 49 -13.883 13.093 1.309 1.00 0.00 N ATOM 743 CA GLY A 49 -14.967 12.430 0.608 1.00 0.00 C ATOM 744 C GLY A 49 -14.494 11.240 -0.204 1.00 0.00 C ATOM 745 O GLY A 49 -15.244 10.285 -0.409 1.00 0.00 O ATOM 0 H GLY A 49 -13.536 12.595 2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.713 12.099 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.458 13.144 -0.053 1.00 0.00 H new ATOM 749 N SER A 50 -13.249 11.295 -0.665 1.00 0.00 N ATOM 750 CA SER A 50 -12.682 10.210 -1.457 1.00 0.00 C ATOM 751 C SER A 50 -12.211 9.068 -0.563 1.00 0.00 C ATOM 752 O SER A 50 -12.259 9.164 0.663 1.00 0.00 O ATOM 753 CB SER A 50 -11.521 10.717 -2.315 1.00 0.00 C ATOM 754 OG SER A 50 -10.863 11.807 -1.694 1.00 0.00 O ATOM 0 H SER A 50 -12.615 12.077 -0.504 1.00 0.00 H new ATOM 0 HA SER A 50 -13.466 9.833 -2.114 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.810 9.908 -2.484 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.894 11.023 -3.292 1.00 0.00 H new ATOM 0 HG SER A 50 -10.826 11.658 -0.726 1.00 0.00 H new ATOM 760 N THR A 51 -11.765 7.987 -1.191 1.00 0.00 N ATOM 761 CA THR A 51 -11.293 6.817 -0.460 1.00 0.00 C ATOM 762 C THR A 51 -10.092 6.178 -1.151 1.00 0.00 C ATOM 763 O THR A 51 -9.795 6.482 -2.306 1.00 0.00 O ATOM 764 CB THR A 51 -12.411 5.768 -0.322 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.670 6.419 -0.112 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.132 4.816 0.831 1.00 0.00 C ATOM 0 H THR A 51 -11.720 7.896 -2.206 1.00 0.00 H new ATOM 0 HA THR A 51 -10.992 7.158 0.530 1.00 0.00 H new ATOM 0 HB THR A 51 -12.446 5.190 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.398 5.790 -0.297 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.939 4.087 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.189 4.298 0.655 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.068 5.380 1.761 1.00 0.00 H new ATOM 774 N ASP A 52 -9.410 5.288 -0.438 1.00 0.00 N ATOM 775 CA ASP A 52 -8.244 4.595 -0.976 1.00 0.00 C ATOM 776 C ASP A 52 -8.525 3.107 -1.099 1.00 0.00 C ATOM 777 O ASP A 52 -8.258 2.334 -0.177 1.00 0.00 O ATOM 778 CB ASP A 52 -7.028 4.829 -0.080 1.00 0.00 C ATOM 779 CG ASP A 52 -6.583 6.278 -0.077 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.397 6.846 -1.174 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.421 6.847 1.024 1.00 0.00 O ATOM 0 H ASP A 52 -9.646 5.028 0.520 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.030 4.994 -1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.266 4.523 0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.205 4.200 -0.418 1.00 0.00 H new ATOM 786 N TYR A 53 -9.076 2.712 -2.239 1.00 0.00 N ATOM 787 CA TYR A 53 -9.404 1.318 -2.477 1.00 0.00 C ATOM 788 C TYR A 53 -8.301 0.600 -3.245 1.00 0.00 C ATOM 789 O TYR A 53 -8.412 0.401 -4.452 1.00 0.00 O ATOM 790 CB TYR A 53 -10.713 1.192 -3.261 1.00 0.00 C ATOM 791 CG TYR A 53 -11.907 1.857 -2.615 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.464 1.350 -1.450 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.487 2.985 -3.183 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.566 1.947 -0.867 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.587 3.589 -2.606 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.124 3.065 -1.448 1.00 0.00 C ATOM 797 OH TYR A 53 -15.221 3.663 -0.871 1.00 0.00 O ATOM 0 H TYR A 53 -9.304 3.339 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.513 0.851 -1.498 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.569 1.621 -4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.936 0.134 -3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.029 0.474 -0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.071 3.396 -4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.988 1.539 0.040 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.024 4.467 -3.059 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.489 4.440 -1.405 1.00 0.00 H new ATOM 807 N GLY A 54 -7.222 0.231 -2.572 1.00 0.00 N ATOM 808 CA GLY A 54 -6.149 -0.456 -3.266 1.00 0.00 C ATOM 809 C GLY A 54 -4.893 -0.586 -2.434 1.00 0.00 C ATOM 810 O GLY A 54 -4.706 0.146 -1.462 1.00 0.00 O ATOM 0 H GLY A 54 -7.069 0.390 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.490 -1.450 -3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.915 0.082 -4.185 1.00 0.00 H new ATOM 814 N ILE A 55 -4.010 -1.498 -2.837 1.00 0.00 N ATOM 815 CA ILE A 55 -2.748 -1.681 -2.137 1.00 0.00 C ATOM 816 C ILE A 55 -1.924 -0.414 -2.311 1.00 0.00 C ATOM 817 O ILE A 55 -1.072 -0.081 -1.489 1.00 0.00 O ATOM 818 CB ILE A 55 -1.954 -2.891 -2.674 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.763 -3.194 -1.763 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.482 -2.625 -4.096 1.00 0.00 C ATOM 821 CD1 ILE A 55 -0.167 -4.568 -1.983 1.00 0.00 C ATOM 0 H ILE A 55 -4.147 -2.115 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.958 -1.876 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.611 -3.761 -2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.009 -2.442 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.079 -3.106 -0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.924 -3.487 -4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.345 -2.452 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.839 -1.745 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.673 -4.714 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.925 -5.328 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.181 -4.653 -3.013 1.00 0.00 H new ATOM 833 N LEU A 56 -2.231 0.300 -3.394 1.00 0.00 N ATOM 834 CA LEU A 56 -1.577 1.558 -3.708 1.00 0.00 C ATOM 835 C LEU A 56 -2.573 2.699 -3.517 1.00 0.00 C ATOM 836 O LEU A 56 -2.292 3.848 -3.857 1.00 0.00 O ATOM 837 CB LEU A 56 -1.042 1.559 -5.149 1.00 0.00 C ATOM 838 CG LEU A 56 0.478 1.743 -5.293 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.988 2.814 -4.340 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.197 0.425 -5.049 1.00 0.00 C ATOM 0 H LEU A 56 -2.939 0.019 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.728 1.691 -3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.323 0.618 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.540 2.355 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 56 0.687 2.070 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.066 2.925 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.498 3.762 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.766 2.523 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.272 0.572 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.976 0.071 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.859 -0.314 -5.775 1.00 0.00 H new ATOM 852 N GLN A 57 -3.743 2.360 -2.956 1.00 0.00 N ATOM 853 CA GLN A 57 -4.805 3.331 -2.689 1.00 0.00 C ATOM 854 C GLN A 57 -5.476 3.816 -3.971 1.00 0.00 C ATOM 855 O GLN A 57 -5.231 4.940 -4.411 1.00 0.00 O ATOM 856 CB GLN A 57 -4.248 4.525 -1.909 1.00 0.00 C ATOM 857 CG GLN A 57 -3.612 4.142 -0.581 1.00 0.00 C ATOM 858 CD GLN A 57 -3.456 5.326 0.353 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.854 6.338 -0.004 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.998 5.203 1.559 1.00 0.00 N ATOM 0 H GLN A 57 -3.976 1.407 -2.677 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.563 2.825 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.507 5.036 -2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.054 5.236 -1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.222 3.380 -0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.634 3.698 -0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.488 4.345 1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.924 5.966 2.232 1.00 0.00 H new ATOM 869 N ILE A 58 -6.321 2.976 -4.581 1.00 0.00 N ATOM 870 CA ILE A 58 -6.990 3.368 -5.806 1.00 0.00 C ATOM 871 C ILE A 58 -8.255 4.142 -5.495 1.00 0.00 C ATOM 872 O ILE A 58 -9.311 3.558 -5.247 1.00 0.00 O ATOM 873 CB ILE A 58 -7.334 2.148 -6.682 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.166 1.157 -6.702 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.686 2.592 -8.094 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.834 1.787 -7.058 1.00 0.00 C ATOM 0 H ILE A 58 -6.548 2.040 -4.247 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.301 4.004 -6.362 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.201 1.646 -6.254 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.084 0.687 -5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.386 0.365 -7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.927 1.719 -8.701 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.547 3.260 -8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.837 3.116 -8.533 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.057 1.023 -7.051 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.896 2.233 -8.051 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.590 2.559 -6.328 1.00 0.00 H new ATOM 888 N ASN A 59 -8.144 5.463 -5.515 1.00 0.00 N ATOM 889 CA ASN A 59 -9.282 6.320 -5.245 1.00 0.00 C ATOM 890 C ASN A 59 -10.346 6.101 -6.306 1.00 0.00 C ATOM 891 O ASN A 59 -10.260 6.649 -7.405 1.00 0.00 O ATOM 892 CB ASN A 59 -8.843 7.785 -5.225 1.00 0.00 C ATOM 893 CG ASN A 59 -9.986 8.733 -4.918 1.00 0.00 C ATOM 894 OD1 ASN A 59 -11.096 8.307 -4.601 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.716 10.030 -5.007 1.00 0.00 N ATOM 0 H ASN A 59 -7.277 5.961 -5.716 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.698 6.071 -4.269 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.058 7.915 -4.480 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.411 8.044 -6.192 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.443 10.717 -4.809 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.781 10.339 -5.273 1.00 0.00 H new ATOM 902 N SER A 60 -11.346 5.293 -5.980 1.00 0.00 N ATOM 903 CA SER A 60 -12.423 4.997 -6.920 1.00 0.00 C ATOM 904 C SER A 60 -13.276 6.229 -7.218 1.00 0.00 C ATOM 905 O SER A 60 -14.081 6.218 -8.147 1.00 0.00 O ATOM 906 CB SER A 60 -13.309 3.878 -6.370 1.00 0.00 C ATOM 907 OG SER A 60 -14.367 4.402 -5.586 1.00 0.00 O ATOM 0 H SER A 60 -11.435 4.831 -5.075 1.00 0.00 H new ATOM 0 HA SER A 60 -11.961 4.676 -7.854 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.718 3.295 -7.195 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.708 3.198 -5.767 1.00 0.00 H new ATOM 0 HG SER A 60 -14.286 4.074 -4.666 1.00 0.00 H new ATOM 913 N ARG A 61 -13.110 7.289 -6.431 1.00 0.00 N ATOM 914 CA ARG A 61 -13.883 8.510 -6.636 1.00 0.00 C ATOM 915 C ARG A 61 -13.062 9.553 -7.386 1.00 0.00 C ATOM 916 O ARG A 61 -13.270 10.756 -7.225 1.00 0.00 O ATOM 917 CB ARG A 61 -14.346 9.076 -5.292 1.00 0.00 C ATOM 918 CG ARG A 61 -15.618 9.901 -5.384 1.00 0.00 C ATOM 919 CD ARG A 61 -15.729 10.887 -4.233 1.00 0.00 C ATOM 920 NE ARG A 61 -14.624 11.842 -4.222 1.00 0.00 N ATOM 921 CZ ARG A 61 -14.663 13.021 -4.838 1.00 0.00 C ATOM 922 NH1 ARG A 61 -15.746 13.388 -5.510 1.00 0.00 N ATOM 923 NH2 ARG A 61 -13.617 13.834 -4.782 1.00 0.00 N ATOM 0 H ARG A 61 -12.453 7.327 -5.652 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.757 8.262 -7.238 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.507 8.252 -4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.551 9.695 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.634 10.442 -6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.483 9.238 -5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.673 11.426 -4.307 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.747 10.342 -3.289 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.776 11.591 -3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.553 12.766 -5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.772 14.292 -5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.782 13.556 -4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.647 14.738 -5.254 1.00 0.00 H new ATOM 937 N TRP A 62 -12.130 9.083 -8.209 1.00 0.00 N ATOM 938 CA TRP A 62 -11.284 9.984 -8.985 1.00 0.00 C ATOM 939 C TRP A 62 -10.610 9.276 -10.157 1.00 0.00 C ATOM 940 O TRP A 62 -10.644 9.760 -11.289 1.00 0.00 O ATOM 941 CB TRP A 62 -10.219 10.613 -8.084 1.00 0.00 C ATOM 942 CG TRP A 62 -10.508 12.039 -7.725 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.858 12.520 -6.496 1.00 0.00 C ATOM 944 CD2 TRP A 62 -10.473 13.170 -8.603 1.00 0.00 C ATOM 945 NE1 TRP A 62 -11.042 13.880 -6.556 1.00 0.00 N ATOM 946 CE2 TRP A 62 -10.812 14.303 -7.838 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.189 13.335 -9.961 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -10.874 15.582 -8.388 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -10.250 14.605 -10.506 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.590 15.713 -9.719 1.00 0.00 C ATOM 0 H TRP A 62 -11.942 8.091 -8.356 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.930 10.761 -9.394 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.135 10.026 -7.169 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.253 10.561 -8.586 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -10.973 11.919 -5.606 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -11.307 14.478 -5.773 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -9.926 12.486 -10.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -11.137 16.438 -7.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -10.032 14.745 -11.555 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.629 16.692 -10.174 1.00 0.00 H new ATOM 961 N TRP A 63 -9.962 8.152 -9.871 1.00 0.00 N ATOM 962 CA TRP A 63 -9.238 7.407 -10.895 1.00 0.00 C ATOM 963 C TRP A 63 -10.088 6.346 -11.590 1.00 0.00 C ATOM 964 O TRP A 63 -9.688 5.828 -12.632 1.00 0.00 O ATOM 965 CB TRP A 63 -8.006 6.731 -10.288 1.00 0.00 C ATOM 966 CG TRP A 63 -7.018 7.686 -9.692 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.483 7.641 -8.436 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.444 8.825 -10.332 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.600 8.681 -8.264 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.562 9.423 -9.415 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.592 9.392 -11.596 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.828 10.566 -9.727 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.871 10.523 -11.905 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.995 11.103 -10.977 1.00 0.00 C ATOM 0 H TRP A 63 -9.923 7.737 -8.940 1.00 0.00 H new ATOM 0 HA TRP A 63 -8.947 8.140 -11.648 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.331 6.032 -9.517 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.508 6.145 -11.061 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.719 6.898 -7.688 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.062 8.869 -7.418 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.261 8.952 -12.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.153 11.012 -9.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -5.982 10.972 -12.881 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.442 11.989 -11.252 1.00 0.00 H new ATOM 985 N CYS A 64 -11.241 5.996 -11.033 1.00 0.00 N ATOM 986 CA CYS A 64 -12.062 4.969 -11.666 1.00 0.00 C ATOM 987 C CYS A 64 -13.546 5.230 -11.513 1.00 0.00 C ATOM 988 O CYS A 64 -13.982 5.916 -10.590 1.00 0.00 O ATOM 989 CB CYS A 64 -11.743 3.591 -11.079 1.00 0.00 C ATOM 990 SG CYS A 64 -12.798 3.110 -9.667 1.00 0.00 S ATOM 0 H CYS A 64 -11.620 6.392 -10.173 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.820 4.996 -12.728 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.845 2.842 -11.865 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.701 3.578 -10.759 1.00 0.00 H new ATOM 995 N ASN A 65 -14.319 4.653 -12.424 1.00 0.00 N ATOM 996 CA ASN A 65 -15.769 4.792 -12.394 1.00 0.00 C ATOM 997 C ASN A 65 -16.391 3.575 -11.717 1.00 0.00 C ATOM 998 O ASN A 65 -16.427 2.486 -12.291 1.00 0.00 O ATOM 999 CB ASN A 65 -16.321 4.945 -13.813 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.732 5.501 -13.828 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.674 4.848 -13.382 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.884 6.715 -14.345 1.00 0.00 N ATOM 0 H ASN A 65 -13.966 4.084 -13.193 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.025 5.686 -11.826 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.668 5.604 -14.385 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.310 3.975 -14.311 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.810 7.141 -14.383 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.075 7.222 -14.704 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.862 3.762 -10.491 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.463 2.671 -9.731 1.00 0.00 C ATOM 1011 C ASP A 66 -18.985 2.769 -9.718 1.00 0.00 C ATOM 1012 O ASP A 66 -19.671 1.812 -9.357 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.921 2.660 -8.303 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.473 3.796 -7.463 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.621 4.914 -8.000 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.755 3.568 -6.268 1.00 0.00 O ATOM 0 H ASP A 66 -16.840 4.657 -10.001 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.194 1.736 -10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.169 1.709 -7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.833 2.728 -8.330 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.513 3.921 -10.123 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.953 4.107 -10.159 1.00 0.00 C ATOM 1023 C GLY A 67 -21.588 4.172 -8.781 1.00 0.00 C ATOM 1024 O GLY A 67 -22.733 4.604 -8.644 1.00 0.00 O ATOM 0 H GLY A 67 -18.969 4.729 -10.427 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.180 5.026 -10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.404 3.288 -10.720 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.857 3.739 -7.758 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.373 3.750 -6.393 1.00 0.00 C ATOM 1030 C ARG A 68 -21.133 5.100 -5.725 1.00 0.00 C ATOM 1031 O ARG A 68 -21.635 5.360 -4.632 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.720 2.638 -5.570 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.221 1.247 -5.923 1.00 0.00 C ATOM 1034 CD ARG A 68 -22.415 0.853 -5.068 1.00 0.00 C ATOM 1035 NE ARG A 68 -22.690 -0.580 -5.140 1.00 0.00 N ATOM 1036 CZ ARG A 68 -23.329 -1.157 -6.152 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -23.759 -0.429 -7.174 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -23.541 -2.467 -6.143 1.00 0.00 N ATOM 0 H ARG A 68 -19.908 3.377 -7.848 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.448 3.577 -6.440 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.641 2.675 -5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.904 2.824 -4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.500 1.216 -6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.418 0.523 -5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -22.228 1.135 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -23.294 1.408 -5.395 1.00 0.00 H new ATOM 0 HE ARG A 68 -22.374 -1.170 -4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -23.600 0.578 -7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -24.249 -0.877 -7.949 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -23.213 -3.031 -5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -24.032 -2.910 -6.920 1.00 0.00 H new ATOM 1052 N THR A 69 -20.360 5.956 -6.387 1.00 0.00 N ATOM 1053 CA THR A 69 -20.055 7.278 -5.853 1.00 0.00 C ATOM 1054 C THR A 69 -20.201 8.354 -6.926 1.00 0.00 C ATOM 1055 O THR A 69 -19.419 8.403 -7.876 1.00 0.00 O ATOM 1056 CB THR A 69 -18.628 7.334 -5.277 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.247 6.044 -4.783 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.537 8.357 -4.156 1.00 0.00 C ATOM 0 H THR A 69 -19.934 5.758 -7.292 1.00 0.00 H new ATOM 0 HA THR A 69 -20.771 7.468 -5.053 1.00 0.00 H new ATOM 0 HB THR A 69 -17.949 7.632 -6.076 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.037 5.454 -5.537 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.520 8.379 -3.765 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.799 9.343 -4.541 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.227 8.084 -3.358 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.207 9.238 -6.786 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.446 10.318 -7.751 1.00 0.00 C ATOM 1068 C PRO A 70 -20.338 11.364 -7.730 1.00 0.00 C ATOM 1069 O PRO A 70 -20.182 12.098 -6.753 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.769 10.929 -7.284 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.854 10.593 -5.835 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.185 9.256 -5.683 1.00 0.00 C ATOM 0 HA PRO A 70 -21.473 9.950 -8.777 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.784 12.007 -7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.613 10.515 -7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.357 11.350 -5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.892 10.551 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.698 9.158 -4.713 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.900 8.437 -5.766 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.571 11.427 -8.813 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.485 12.387 -8.900 1.00 0.00 C ATOM 1082 C GLY A 71 -17.225 11.786 -9.491 1.00 0.00 C ATOM 1083 O GLY A 71 -16.201 12.462 -9.602 1.00 0.00 O ATOM 0 H GLY A 71 -19.682 10.830 -9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.801 13.233 -9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.267 12.775 -7.905 1.00 0.00 H new ATOM 1087 N SER A 72 -17.299 10.514 -9.871 1.00 0.00 N ATOM 1088 CA SER A 72 -16.155 9.822 -10.454 1.00 0.00 C ATOM 1089 C SER A 72 -15.679 10.531 -11.717 1.00 0.00 C ATOM 1090 O SER A 72 -16.365 10.529 -12.739 1.00 0.00 O ATOM 1091 CB SER A 72 -16.519 8.371 -10.777 1.00 0.00 C ATOM 1092 OG SER A 72 -17.449 7.858 -9.839 1.00 0.00 O ATOM 0 H SER A 72 -18.139 9.942 -9.786 1.00 0.00 H new ATOM 0 HA SER A 72 -15.345 9.832 -9.724 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.940 8.313 -11.781 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.618 7.757 -10.774 1.00 0.00 H new ATOM 0 HG SER A 72 -17.667 6.930 -10.068 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.500 11.141 -11.639 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.932 11.858 -12.775 1.00 0.00 C ATOM 1100 C ARG A 73 -13.510 10.890 -13.876 1.00 0.00 C ATOM 1101 O ARG A 73 -13.689 11.171 -15.061 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.731 12.694 -12.329 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.491 13.921 -13.193 1.00 0.00 C ATOM 1104 CD ARG A 73 -13.156 15.155 -12.604 1.00 0.00 C ATOM 1105 NE ARG A 73 -13.630 16.068 -13.641 1.00 0.00 N ATOM 1106 CZ ARG A 73 -14.915 16.266 -13.918 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -15.851 15.617 -13.239 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -15.265 17.113 -14.876 1.00 0.00 N ATOM 0 H ARG A 73 -13.919 11.153 -10.800 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.700 12.520 -13.174 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.882 13.010 -11.297 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.838 12.069 -12.344 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.419 14.095 -13.290 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.877 13.742 -14.196 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.995 14.851 -11.978 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.448 15.675 -11.959 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.936 16.583 -14.183 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.586 14.964 -12.502 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.836 15.771 -13.454 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.548 17.613 -15.401 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.251 17.264 -15.088 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.941 9.755 -13.471 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.480 8.740 -14.417 1.00 0.00 C ATOM 1124 C ASN A 74 -11.263 9.250 -15.179 1.00 0.00 C ATOM 1125 O ASN A 74 -11.139 9.056 -16.388 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.596 8.358 -15.394 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.481 6.924 -15.873 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.575 6.648 -17.069 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -13.274 6.003 -14.939 1.00 0.00 N ATOM 0 H ASN A 74 -12.788 9.515 -12.491 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.200 7.849 -13.856 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.562 8.500 -14.910 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.568 9.028 -16.253 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.186 5.021 -15.201 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.203 6.277 -13.959 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.360 9.889 -14.445 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.133 10.426 -15.004 1.00 0.00 C ATOM 1138 C LEU A 75 -8.264 9.322 -15.546 1.00 0.00 C ATOM 1139 O LEU A 75 -7.691 9.402 -16.632 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.370 11.116 -13.891 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.617 12.618 -13.756 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.819 13.191 -12.595 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.270 13.338 -15.050 1.00 0.00 C ATOM 0 H LEU A 75 -10.462 10.048 -13.443 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.383 11.114 -15.811 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.628 10.637 -12.946 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.304 10.954 -14.050 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.677 12.772 -13.552 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.009 14.261 -12.516 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.120 12.700 -11.669 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.756 13.023 -12.766 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.453 14.406 -14.932 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.219 13.174 -15.287 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.889 12.951 -15.859 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.179 8.306 -14.734 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.396 7.137 -15.013 1.00 0.00 C ATOM 1157 C CYS A 76 -8.184 6.173 -15.889 1.00 0.00 C ATOM 1158 O CYS A 76 -7.613 5.404 -16.663 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.052 6.517 -13.681 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.418 5.730 -13.578 1.00 0.00 S ATOM 0 H CYS A 76 -8.665 8.268 -13.838 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.486 7.386 -15.559 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.112 7.290 -12.915 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.810 5.771 -13.441 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.508 6.230 -15.754 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.398 5.372 -16.524 1.00 0.00 C ATOM 1167 C ASN A 77 -9.976 3.921 -16.371 1.00 0.00 C ATOM 1168 O ASN A 77 -9.705 3.229 -17.354 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.387 5.774 -18.001 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.551 5.184 -18.772 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.319 4.380 -18.243 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -11.688 5.582 -20.032 1.00 0.00 N ATOM 0 H ASN A 77 -9.987 6.865 -15.115 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.413 5.489 -16.144 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.418 6.861 -18.079 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.452 5.448 -18.456 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.453 5.219 -20.601 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.028 6.250 -20.430 1.00 0.00 H new ATOM 1179 N ILE A 78 -9.905 3.476 -15.126 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.501 2.125 -14.826 1.00 0.00 C ATOM 1181 C ILE A 78 -10.619 1.363 -14.128 1.00 0.00 C ATOM 1182 O ILE A 78 -11.370 1.939 -13.349 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.242 2.124 -13.935 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.461 1.311 -12.654 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.860 3.549 -13.598 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.843 2.147 -11.449 1.00 0.00 C ATOM 0 H ILE A 78 -10.125 4.041 -14.306 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.275 1.628 -15.770 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.430 1.651 -14.487 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.243 0.573 -12.834 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.549 0.760 -12.426 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.970 3.548 -12.968 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.653 4.097 -14.517 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.681 4.029 -13.065 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.980 1.498 -10.584 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.052 2.867 -11.240 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.772 2.678 -11.655 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.730 0.051 -14.363 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.741 -0.761 -13.702 1.00 0.00 C ATOM 1200 C PRO A 79 -11.289 -1.085 -12.283 1.00 0.00 C ATOM 1201 O PRO A 79 -10.322 -1.823 -12.088 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.796 -2.018 -14.565 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.421 -2.148 -15.134 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.865 -0.750 -15.250 1.00 0.00 C ATOM 0 HA PRO A 79 -12.712 -0.274 -13.612 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.064 -2.893 -13.973 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.543 -1.925 -15.353 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.792 -2.762 -14.490 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.450 -2.635 -16.109 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.822 -0.708 -14.936 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.903 -0.389 -16.278 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.964 -0.512 -11.293 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.590 -0.730 -9.902 1.00 0.00 C ATOM 1214 C CYS A 80 -11.690 -2.203 -9.510 1.00 0.00 C ATOM 1215 O CYS A 80 -10.724 -2.779 -9.016 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.431 0.151 -8.976 1.00 0.00 C ATOM 1217 SG CYS A 80 -11.672 1.776 -8.626 1.00 0.00 S ATOM 0 H CYS A 80 -12.767 0.102 -11.427 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.544 -0.444 -9.790 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.411 0.306 -9.427 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.593 -0.375 -8.035 1.00 0.00 H new ATOM 1222 N SER A 81 -12.856 -2.808 -9.709 1.00 0.00 N ATOM 1223 CA SER A 81 -13.055 -4.213 -9.353 1.00 0.00 C ATOM 1224 C SER A 81 -12.010 -5.121 -10.007 1.00 0.00 C ATOM 1225 O SER A 81 -11.655 -6.162 -9.455 1.00 0.00 O ATOM 1226 CB SER A 81 -14.459 -4.664 -9.757 1.00 0.00 C ATOM 1227 OG SER A 81 -14.790 -4.206 -11.056 1.00 0.00 O ATOM 0 H SER A 81 -13.675 -2.353 -10.112 1.00 0.00 H new ATOM 0 HA SER A 81 -12.940 -4.297 -8.272 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.517 -5.752 -9.726 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.186 -4.285 -9.039 1.00 0.00 H new ATOM 0 HG SER A 81 -15.692 -4.510 -11.290 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.523 -4.730 -11.184 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.524 -5.525 -11.900 1.00 0.00 C ATOM 1235 C ALA A 82 -9.161 -5.450 -11.215 1.00 0.00 C ATOM 1236 O ALA A 82 -8.251 -6.218 -11.527 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.416 -5.060 -13.344 1.00 0.00 C ATOM 0 H ALA A 82 -11.802 -3.872 -11.661 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.849 -6.565 -11.886 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.669 -5.660 -13.865 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.382 -5.175 -13.836 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.119 -4.011 -13.367 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.038 -4.522 -10.277 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.797 -4.339 -9.532 1.00 0.00 C ATOM 1245 C LEU A 83 -7.899 -4.986 -8.157 1.00 0.00 C ATOM 1246 O LEU A 83 -6.916 -5.070 -7.421 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.464 -2.848 -9.393 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.989 -2.169 -8.125 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.907 -2.118 -7.057 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.491 -0.769 -8.441 1.00 0.00 C ATOM 0 H LEU A 83 -9.785 -3.880 -10.012 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.993 -4.823 -10.086 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.381 -2.731 -9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.866 -2.322 -10.259 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.822 -2.757 -7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.300 -1.632 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.592 -3.132 -6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.053 -1.554 -7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.861 -0.301 -7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.675 -0.173 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.298 -0.828 -9.171 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.101 -5.430 -7.813 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.347 -6.054 -6.522 1.00 0.00 C ATOM 1264 C LEU A 84 -9.690 -7.529 -6.679 1.00 0.00 C ATOM 1265 O LEU A 84 -10.555 -8.058 -5.981 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.472 -5.309 -5.811 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.515 -3.814 -6.120 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.935 -3.283 -6.029 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.592 -3.050 -5.183 1.00 0.00 C ATOM 0 H LEU A 84 -9.923 -5.369 -8.414 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.439 -5.995 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.425 -5.756 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.362 -5.445 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.166 -3.666 -7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.940 -2.216 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.566 -3.807 -6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.320 -3.444 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.635 -1.986 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.909 -3.208 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.570 -3.408 -5.307 1.00 0.00 H new ATOM 1281 N SER A 85 -8.988 -8.192 -7.591 1.00 0.00 N ATOM 1282 CA SER A 85 -9.196 -9.615 -7.834 1.00 0.00 C ATOM 1283 C SER A 85 -7.893 -10.373 -7.656 1.00 0.00 C ATOM 1284 O SER A 85 -7.596 -11.326 -8.379 1.00 0.00 O ATOM 1285 CB SER A 85 -9.773 -9.852 -9.231 1.00 0.00 C ATOM 1286 OG SER A 85 -9.456 -8.782 -10.103 1.00 0.00 O ATOM 0 H SER A 85 -8.269 -7.766 -8.175 1.00 0.00 H new ATOM 0 HA SER A 85 -9.917 -9.987 -7.106 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.380 -10.784 -9.637 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.855 -9.964 -9.166 1.00 0.00 H new ATOM 0 HG SER A 85 -9.835 -8.959 -10.989 1.00 0.00 H new ATOM 1292 N SER A 86 -7.123 -9.904 -6.691 1.00 0.00 N ATOM 1293 CA SER A 86 -5.818 -10.469 -6.365 1.00 0.00 C ATOM 1294 C SER A 86 -4.848 -10.084 -7.456 1.00 0.00 C ATOM 1295 O SER A 86 -3.828 -10.735 -7.681 1.00 0.00 O ATOM 1296 CB SER A 86 -5.892 -11.993 -6.223 1.00 0.00 C ATOM 1297 OG SER A 86 -4.673 -12.519 -5.729 1.00 0.00 O ATOM 0 H SER A 86 -7.385 -9.112 -6.103 1.00 0.00 H new ATOM 0 HA SER A 86 -5.481 -10.074 -5.407 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.706 -12.259 -5.549 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.119 -12.441 -7.190 1.00 0.00 H new ATOM 0 HG SER A 86 -3.929 -12.184 -6.271 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.222 -9.026 -8.156 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.460 -8.516 -9.272 1.00 0.00 C ATOM 1305 C ASP A 87 -4.154 -7.033 -9.096 1.00 0.00 C ATOM 1306 O ASP A 87 -5.067 -6.211 -9.029 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.289 -8.729 -10.526 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.484 -8.577 -11.801 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.424 -9.227 -11.915 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.914 -7.808 -12.687 1.00 0.00 O ATOM 0 H ASP A 87 -6.071 -8.496 -7.960 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.506 -9.040 -9.340 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.730 -9.725 -10.498 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.113 -8.015 -10.536 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.871 -6.690 -9.031 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.473 -5.299 -8.874 1.00 0.00 C ATOM 1317 C ILE A 88 -2.259 -4.633 -10.223 1.00 0.00 C ATOM 1318 O ILE A 88 -2.016 -3.433 -10.292 1.00 0.00 O ATOM 1319 CB ILE A 88 -1.187 -5.149 -8.038 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.286 -6.376 -8.198 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.534 -4.918 -6.577 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.192 -6.049 -8.170 1.00 0.00 C ATOM 0 H ILE A 88 -2.096 -7.351 -9.084 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.291 -4.809 -8.346 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.637 -4.282 -8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.508 -7.086 -7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.523 -6.870 -9.140 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.617 -4.814 -5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.128 -4.009 -6.483 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.107 -5.766 -6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.770 -6.966 -8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.428 -5.363 -8.984 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.443 -5.582 -7.218 1.00 0.00 H new ATOM 1334 N THR A 89 -2.341 -5.419 -11.293 1.00 0.00 N ATOM 1335 CA THR A 89 -2.149 -4.897 -12.641 1.00 0.00 C ATOM 1336 C THR A 89 -2.937 -3.609 -12.857 1.00 0.00 C ATOM 1337 O THR A 89 -2.378 -2.592 -13.259 1.00 0.00 O ATOM 1338 CB THR A 89 -2.570 -5.927 -13.707 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.119 -7.234 -13.331 1.00 0.00 O ATOM 1340 CG2 THR A 89 -1.999 -5.561 -15.068 1.00 0.00 C ATOM 0 H THR A 89 -2.539 -6.419 -11.252 1.00 0.00 H new ATOM 0 HA THR A 89 -1.085 -4.687 -12.746 1.00 0.00 H new ATOM 0 HB THR A 89 -3.658 -5.924 -13.774 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.392 -7.883 -14.013 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.310 -6.302 -15.804 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.367 -4.579 -15.365 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.911 -5.539 -15.012 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.240 -3.664 -12.600 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.102 -2.512 -12.777 1.00 0.00 C ATOM 1350 C ALA A 90 -4.699 -1.356 -11.861 1.00 0.00 C ATOM 1351 O ALA A 90 -4.639 -0.201 -12.293 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.553 -2.898 -12.543 1.00 0.00 C ATOM 0 H ALA A 90 -4.719 -4.501 -12.267 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.988 -2.168 -13.805 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.189 -2.023 -12.679 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.843 -3.672 -13.254 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.670 -3.277 -11.528 1.00 0.00 H new ATOM 1358 N SER A 91 -4.409 -1.671 -10.600 1.00 0.00 N ATOM 1359 CA SER A 91 -4.000 -0.657 -9.632 1.00 0.00 C ATOM 1360 C SER A 91 -2.685 -0.017 -10.041 1.00 0.00 C ATOM 1361 O SER A 91 -2.469 1.179 -9.831 1.00 0.00 O ATOM 1362 CB SER A 91 -3.864 -1.273 -8.238 1.00 0.00 C ATOM 1363 OG SER A 91 -4.110 -2.668 -8.270 1.00 0.00 O ATOM 0 H SER A 91 -4.450 -2.619 -10.226 1.00 0.00 H new ATOM 0 HA SER A 91 -4.770 0.114 -9.608 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.862 -1.086 -7.851 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.565 -0.793 -7.555 1.00 0.00 H new ATOM 0 HG SER A 91 -4.015 -3.038 -7.367 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.809 -0.816 -10.626 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.524 -0.306 -11.055 1.00 0.00 C ATOM 1371 C VAL A 92 -0.669 0.554 -12.288 1.00 0.00 C ATOM 1372 O VAL A 92 -0.217 1.684 -12.297 1.00 0.00 O ATOM 1373 CB VAL A 92 0.511 -1.406 -11.344 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.735 -0.794 -12.022 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.901 -2.127 -10.063 1.00 0.00 C ATOM 0 H VAL A 92 -1.963 -1.807 -10.812 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.156 0.284 -10.216 1.00 0.00 H new ATOM 0 HB VAL A 92 0.070 -2.142 -12.016 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.467 -1.576 -12.226 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.435 -0.324 -12.959 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.178 -0.045 -11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.634 -2.901 -10.290 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.332 -1.414 -9.361 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.017 -2.584 -9.619 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.305 0.022 -13.325 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.499 0.767 -14.544 1.00 0.00 C ATOM 1387 C ASN A 93 -1.883 2.201 -14.224 1.00 0.00 C ATOM 1388 O ASN A 93 -1.357 3.153 -14.808 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.558 0.092 -15.398 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.715 1.008 -15.753 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.606 1.849 -16.644 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.833 0.847 -15.053 1.00 0.00 N ATOM 0 H ASN A 93 -1.691 -0.922 -13.338 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.567 0.786 -15.109 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.097 -0.272 -16.316 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.943 -0.779 -14.867 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.645 1.434 -15.246 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.879 0.137 -14.322 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.787 2.343 -13.265 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.232 3.652 -12.835 1.00 0.00 C ATOM 1401 C CYS A 94 -2.071 4.450 -12.257 1.00 0.00 C ATOM 1402 O CYS A 94 -1.874 5.610 -12.618 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.345 3.530 -11.800 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.379 5.020 -11.676 1.00 0.00 S ATOM 0 H CYS A 94 -3.224 1.564 -12.772 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.621 4.179 -13.707 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.976 2.678 -12.054 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.904 3.320 -10.826 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.303 3.830 -11.360 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.167 4.514 -10.749 1.00 0.00 C ATOM 1411 C ALA A 95 0.948 4.726 -11.757 1.00 0.00 C ATOM 1412 O ALA A 95 1.564 5.782 -11.780 1.00 0.00 O ATOM 1413 CB ALA A 95 0.342 3.772 -9.538 1.00 0.00 C ATOM 0 H ALA A 95 -1.445 2.870 -11.045 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.517 5.491 -10.416 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.187 4.311 -9.110 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.453 3.697 -8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.660 2.772 -9.831 1.00 0.00 H new ATOM 1419 N LYS A 96 1.192 3.735 -12.611 1.00 0.00 N ATOM 1420 CA LYS A 96 2.212 3.869 -13.635 1.00 0.00 C ATOM 1421 C LYS A 96 1.988 5.217 -14.308 1.00 0.00 C ATOM 1422 O LYS A 96 2.917 5.932 -14.685 1.00 0.00 O ATOM 1423 CB LYS A 96 2.100 2.737 -14.660 1.00 0.00 C ATOM 1424 CG LYS A 96 3.332 2.587 -15.537 1.00 0.00 C ATOM 1425 CD LYS A 96 3.880 1.172 -15.491 1.00 0.00 C ATOM 1426 CE LYS A 96 3.750 0.479 -16.837 1.00 0.00 C ATOM 1427 NZ LYS A 96 4.559 1.153 -17.889 1.00 0.00 N ATOM 0 H LYS A 96 0.701 2.841 -12.611 1.00 0.00 H new ATOM 0 HA LYS A 96 3.208 3.811 -13.197 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.922 1.799 -14.135 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.232 2.917 -15.295 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.082 2.848 -16.565 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.101 3.287 -15.209 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.928 1.196 -15.193 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.347 0.599 -14.733 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.069 -0.559 -16.743 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.703 0.465 -17.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.925 1.608 -18.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.168 1.873 -17.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.150 0.450 -18.376 1.00 0.00 H new ATOM 1441 N LYS A 97 0.703 5.555 -14.380 1.00 0.00 N ATOM 1442 CA LYS A 97 0.254 6.821 -14.934 1.00 0.00 C ATOM 1443 C LYS A 97 0.361 7.916 -13.877 1.00 0.00 C ATOM 1444 O LYS A 97 0.726 9.053 -14.181 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.184 6.710 -15.440 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.339 7.050 -16.914 1.00 0.00 C ATOM 1447 CD LYS A 97 -1.606 5.808 -17.747 1.00 0.00 C ATOM 1448 CE LYS A 97 -0.448 5.506 -18.684 1.00 0.00 C ATOM 1449 NZ LYS A 97 -0.747 4.360 -19.587 1.00 0.00 N ATOM 0 H LYS A 97 -0.055 4.955 -14.054 1.00 0.00 H new ATOM 0 HA LYS A 97 0.893 7.078 -15.779 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.543 5.695 -15.270 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.819 7.374 -14.854 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.158 7.758 -17.041 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.435 7.542 -17.272 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.774 4.956 -17.088 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.518 5.947 -18.327 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.225 6.390 -19.281 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.444 5.283 -18.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.068 4.187 -20.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.935 3.510 -19.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.583 4.582 -20.165 1.00 0.00 H new ATOM 1463 N ILE A 98 0.056 7.561 -12.628 1.00 0.00 N ATOM 1464 CA ILE A 98 0.135 8.512 -11.529 1.00 0.00 C ATOM 1465 C ILE A 98 1.552 9.068 -11.405 1.00 0.00 C ATOM 1466 O ILE A 98 1.755 10.281 -11.348 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.294 7.888 -10.183 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.768 7.472 -10.237 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.071 8.878 -9.047 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.216 6.665 -9.036 1.00 0.00 C ATOM 0 H ILE A 98 -0.246 6.625 -12.357 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.559 9.320 -11.759 1.00 0.00 H new ATOM 0 HB ILE A 98 0.315 7.002 -10.001 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.386 8.366 -10.314 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.939 6.887 -11.141 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.378 8.425 -8.104 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.985 9.142 -8.996 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.661 9.777 -9.227 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.269 6.406 -9.144 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.623 5.753 -8.969 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.078 7.254 -8.130 1.00 0.00 H new ATOM 1482 N VAL A 99 2.526 8.164 -11.363 1.00 0.00 N ATOM 1483 CA VAL A 99 3.927 8.538 -11.244 1.00 0.00 C ATOM 1484 C VAL A 99 4.456 9.135 -12.545 1.00 0.00 C ATOM 1485 O VAL A 99 5.380 9.949 -12.530 1.00 0.00 O ATOM 1486 CB VAL A 99 4.797 7.338 -10.826 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.240 6.526 -12.035 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.997 7.808 -10.018 1.00 0.00 C ATOM 0 H VAL A 99 2.366 7.158 -11.410 1.00 0.00 H new ATOM 0 HA VAL A 99 3.987 9.297 -10.464 1.00 0.00 H new ATOM 0 HB VAL A 99 4.191 6.685 -10.197 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.852 5.687 -11.705 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.363 6.150 -12.562 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.822 7.159 -12.705 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.601 6.948 -9.730 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.598 8.488 -10.621 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.653 8.325 -9.122 1.00 0.00 H new ATOM 1498 N SER A 100 3.853 8.751 -13.670 1.00 0.00 N ATOM 1499 CA SER A 100 4.263 9.285 -14.964 1.00 0.00 C ATOM 1500 C SER A 100 3.613 10.646 -15.189 1.00 0.00 C ATOM 1501 O SER A 100 3.916 11.343 -16.157 1.00 0.00 O ATOM 1502 CB SER A 100 3.877 8.327 -16.092 1.00 0.00 C ATOM 1503 OG SER A 100 4.957 7.472 -16.427 1.00 0.00 O ATOM 0 H SER A 100 3.087 8.079 -13.710 1.00 0.00 H new ATOM 0 HA SER A 100 5.347 9.398 -14.966 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.017 7.730 -15.788 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.575 8.897 -16.970 1.00 0.00 H new ATOM 0 HG SER A 100 4.670 6.837 -17.116 1.00 0.00 H new ATOM 1509 N ASP A 101 2.713 11.008 -14.279 1.00 0.00 N ATOM 1510 CA ASP A 101 2.005 12.281 -14.358 1.00 0.00 C ATOM 1511 C ASP A 101 2.666 13.335 -13.471 1.00 0.00 C ATOM 1512 O ASP A 101 2.252 14.493 -13.462 1.00 0.00 O ATOM 1513 CB ASP A 101 0.543 12.102 -13.950 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.350 13.195 -14.505 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.551 13.229 -15.737 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -0.848 14.017 -13.706 1.00 0.00 O ATOM 0 H ASP A 101 2.456 10.435 -13.475 1.00 0.00 H new ATOM 0 HA ASP A 101 2.049 12.625 -15.391 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.187 11.133 -14.300 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.470 12.094 -12.862 1.00 0.00 H new ATOM 1521 N GLY A 102 3.696 12.930 -12.731 1.00 0.00 N ATOM 1522 CA GLY A 102 4.391 13.862 -11.860 1.00 0.00 C ATOM 1523 C GLY A 102 4.588 13.323 -10.454 1.00 0.00 C ATOM 1524 O GLY A 102 5.693 13.373 -9.914 1.00 0.00 O ATOM 0 H GLY A 102 4.060 11.977 -12.719 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.363 14.099 -12.292 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.828 14.794 -11.811 1.00 0.00 H new ATOM 1528 N ASN A 103 3.513 12.814 -9.859 1.00 0.00 N ATOM 1529 CA ASN A 103 3.569 12.269 -8.504 1.00 0.00 C ATOM 1530 C ASN A 103 4.565 11.117 -8.411 1.00 0.00 C ATOM 1531 O ASN A 103 4.228 9.967 -8.690 1.00 0.00 O ATOM 1532 CB ASN A 103 2.182 11.793 -8.074 1.00 0.00 C ATOM 1533 CG ASN A 103 1.140 12.891 -8.160 1.00 0.00 C ATOM 1534 OD1 ASN A 103 0.161 12.779 -8.897 1.00 0.00 O ATOM 1535 ND2 ASN A 103 1.348 13.962 -7.402 1.00 0.00 N ATOM 0 H ASN A 103 2.591 12.767 -10.293 1.00 0.00 H new ATOM 0 HA ASN A 103 3.904 13.062 -7.835 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.877 10.957 -8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.230 11.421 -7.051 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.682 14.734 -7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.174 14.012 -6.806 1.00 0.00 H new ATOM 1542 N GLY A 104 5.795 11.435 -8.018 1.00 0.00 N ATOM 1543 CA GLY A 104 6.825 10.418 -7.900 1.00 0.00 C ATOM 1544 C GLY A 104 6.991 9.892 -6.486 1.00 0.00 C ATOM 1545 O GLY A 104 8.019 10.132 -5.853 1.00 0.00 O ATOM 0 H GLY A 104 6.097 12.379 -7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.583 9.587 -8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.774 10.831 -8.240 1.00 0.00 H new ATOM 1549 N MET A 105 5.966 9.192 -5.989 1.00 0.00 N ATOM 1550 CA MET A 105 5.968 8.632 -4.639 1.00 0.00 C ATOM 1551 C MET A 105 5.537 9.693 -3.644 1.00 0.00 C ATOM 1552 O MET A 105 5.550 9.476 -2.433 1.00 0.00 O ATOM 1553 CB MET A 105 7.345 8.072 -4.258 1.00 0.00 C ATOM 1554 CG MET A 105 7.944 7.143 -5.304 1.00 0.00 C ATOM 1555 SD MET A 105 6.710 6.095 -6.098 1.00 0.00 S ATOM 1556 CE MET A 105 6.071 5.202 -4.684 1.00 0.00 C ATOM 0 H MET A 105 5.113 8.999 -6.514 1.00 0.00 H new ATOM 0 HA MET A 105 5.261 7.803 -4.616 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.030 8.903 -4.089 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.259 7.533 -3.314 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.451 7.738 -6.063 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.700 6.514 -4.834 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.020 4.139 -4.918 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.730 5.354 -3.829 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.073 5.569 -4.442 1.00 0.00 H new ATOM 1566 N ASN A 106 5.155 10.846 -4.176 1.00 0.00 N ATOM 1567 CA ASN A 106 4.716 11.966 -3.365 1.00 0.00 C ATOM 1568 C ASN A 106 3.202 11.961 -3.178 1.00 0.00 C ATOM 1569 O ASN A 106 2.694 12.405 -2.148 1.00 0.00 O ATOM 1570 CB ASN A 106 5.152 13.267 -4.033 1.00 0.00 C ATOM 1571 CG ASN A 106 6.508 13.744 -3.551 1.00 0.00 C ATOM 1572 OD1 ASN A 106 6.632 14.832 -2.989 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.534 12.930 -3.770 1.00 0.00 N ATOM 0 H ASN A 106 5.142 11.028 -5.180 1.00 0.00 H new ATOM 0 HA ASN A 106 5.172 11.879 -2.379 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.184 13.123 -5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.408 14.039 -3.836 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.471 13.198 -3.468 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.385 12.037 -4.240 1.00 0.00 H new ATOM 1580 N ALA A 107 2.485 11.454 -4.176 1.00 0.00 N ATOM 1581 CA ALA A 107 1.030 11.390 -4.113 1.00 0.00 C ATOM 1582 C ALA A 107 0.582 10.519 -2.950 1.00 0.00 C ATOM 1583 O ALA A 107 -0.462 10.757 -2.342 1.00 0.00 O ATOM 1584 CB ALA A 107 0.460 10.856 -5.418 1.00 0.00 C ATOM 0 H ALA A 107 2.887 11.082 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 107 0.653 12.401 -3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.627 10.816 -5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.749 11.514 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.849 9.855 -5.602 1.00 0.00 H new ATOM 1590 N TRP A 108 1.386 9.508 -2.645 1.00 0.00 N ATOM 1591 CA TRP A 108 1.088 8.594 -1.555 1.00 0.00 C ATOM 1592 C TRP A 108 1.697 9.102 -0.249 1.00 0.00 C ATOM 1593 O TRP A 108 2.906 9.313 -0.152 1.00 0.00 O ATOM 1594 CB TRP A 108 1.601 7.196 -1.900 1.00 0.00 C ATOM 1595 CG TRP A 108 1.052 6.685 -3.200 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.110 5.992 -3.384 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.635 6.839 -4.501 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.283 5.701 -4.716 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.774 6.210 -5.424 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.801 7.446 -4.976 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 1.046 6.172 -6.792 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 3.069 7.407 -6.332 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.194 6.775 -7.225 1.00 0.00 C ATOM 0 H TRP A 108 2.253 9.302 -3.141 1.00 0.00 H new ATOM 0 HA TRP A 108 0.008 8.540 -1.416 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.690 7.215 -1.952 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.332 6.506 -1.100 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -0.794 5.713 -2.597 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.071 5.189 -5.113 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.481 7.937 -4.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.375 5.684 -7.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.968 7.872 -6.709 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.432 6.764 -8.279 1.00 0.00 H new ATOM 1614 N VAL A 109 0.836 9.322 0.740 1.00 0.00 N ATOM 1615 CA VAL A 109 1.256 9.840 2.041 1.00 0.00 C ATOM 1616 C VAL A 109 2.033 8.826 2.865 1.00 0.00 C ATOM 1617 O VAL A 109 2.803 9.202 3.748 1.00 0.00 O ATOM 1618 CB VAL A 109 0.061 10.300 2.870 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.401 11.560 3.650 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.170 10.512 2.002 1.00 0.00 C ATOM 0 H VAL A 109 -0.166 9.148 0.665 1.00 0.00 H new ATOM 0 HA VAL A 109 1.910 10.681 1.812 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.174 9.509 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.465 11.871 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.237 11.359 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.675 12.355 2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.002 10.839 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.958 11.272 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.432 9.576 1.508 1.00 0.00 H new ATOM 1630 N ALA A 110 1.842 7.547 2.585 1.00 0.00 N ATOM 1631 CA ALA A 110 2.550 6.506 3.321 1.00 0.00 C ATOM 1632 C ALA A 110 4.031 6.532 2.992 1.00 0.00 C ATOM 1633 O ALA A 110 4.866 6.143 3.808 1.00 0.00 O ATOM 1634 CB ALA A 110 1.955 5.138 3.022 1.00 0.00 C ATOM 0 H ALA A 110 1.210 7.204 1.861 1.00 0.00 H new ATOM 0 HA ALA A 110 2.434 6.701 4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.497 4.375 3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.905 5.126 3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.035 4.932 1.955 1.00 0.00 H new ATOM 1640 N TRP A 111 4.354 7.013 1.799 1.00 0.00 N ATOM 1641 CA TRP A 111 5.742 7.108 1.384 1.00 0.00 C ATOM 1642 C TRP A 111 6.369 8.370 1.961 1.00 0.00 C ATOM 1643 O TRP A 111 7.537 8.371 2.344 1.00 0.00 O ATOM 1644 CB TRP A 111 5.867 7.089 -0.142 1.00 0.00 C ATOM 1645 CG TRP A 111 7.289 7.116 -0.620 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.056 6.041 -0.966 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.116 8.274 -0.801 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.308 6.458 -1.351 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.369 7.823 -1.259 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.919 9.646 -0.622 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.417 8.697 -1.539 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.960 10.511 -0.901 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.195 10.034 -1.355 1.00 0.00 C ATOM 0 H TRP A 111 3.678 7.340 1.109 1.00 0.00 H new ATOM 0 HA TRP A 111 6.277 6.239 1.768 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.378 6.195 -0.529 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.336 7.947 -0.554 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.727 5.013 -0.941 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.068 5.850 -1.656 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.970 10.024 -0.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.371 8.332 -1.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.818 11.573 -0.766 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.989 10.736 -1.564 1.00 0.00 H new ATOM 1664 N ARG A 112 5.589 9.445 2.049 1.00 0.00 N ATOM 1665 CA ARG A 112 6.081 10.694 2.611 1.00 0.00 C ATOM 1666 C ARG A 112 5.793 10.754 4.104 1.00 0.00 C ATOM 1667 O ARG A 112 5.314 11.766 4.618 1.00 0.00 O ATOM 1668 CB ARG A 112 5.421 11.876 1.921 1.00 0.00 C ATOM 1669 CG ARG A 112 6.226 12.441 0.762 1.00 0.00 C ATOM 1670 CD ARG A 112 7.132 13.575 1.214 1.00 0.00 C ATOM 1671 NE ARG A 112 7.065 14.722 0.312 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.496 15.938 0.632 1.00 0.00 C ATOM 1673 NH1 ARG A 112 8.024 16.165 1.827 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.401 16.928 -0.245 1.00 0.00 N ATOM 0 H ARG A 112 4.618 9.474 1.739 1.00 0.00 H new ATOM 0 HA ARG A 112 7.159 10.740 2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.441 11.570 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.255 12.665 2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.827 11.649 0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.548 12.802 -0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.848 13.887 2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 112 8.160 13.217 1.270 1.00 0.00 H new ATOM 0 HE ARG A 112 6.665 14.582 -0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 112 8.100 15.405 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 112 8.354 17.099 2.070 1.00 0.00 H new ATOM 0 HH21 ARG A 112 6.997 16.757 -1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.732 17.861 0.001 1.00 0.00 H new ATOM 1688 N ASN A 113 6.096 9.669 4.792 1.00 0.00 N ATOM 1689 CA ASN A 113 5.884 9.590 6.231 1.00 0.00 C ATOM 1690 C ASN A 113 6.839 8.585 6.862 1.00 0.00 C ATOM 1691 O ASN A 113 7.620 8.923 7.750 1.00 0.00 O ATOM 1692 CB ASN A 113 4.437 9.197 6.533 1.00 0.00 C ATOM 1693 CG ASN A 113 4.003 9.617 7.924 1.00 0.00 C ATOM 1694 OD1 ASN A 113 4.666 9.310 8.914 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.882 10.326 8.005 1.00 0.00 N ATOM 0 H ASN A 113 6.492 8.825 4.378 1.00 0.00 H new ATOM 0 HA ASN A 113 6.082 10.573 6.660 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.777 9.655 5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.328 8.117 6.432 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.540 10.638 8.914 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.363 10.558 7.158 1.00 0.00 H new ATOM 1702 N ARG A 114 6.759 7.343 6.400 1.00 0.00 N ATOM 1703 CA ARG A 114 7.603 6.277 6.922 1.00 0.00 C ATOM 1704 C ARG A 114 8.643 5.821 5.902 1.00 0.00 C ATOM 1705 O ARG A 114 9.344 4.833 6.122 1.00 0.00 O ATOM 1706 CB ARG A 114 6.738 5.089 7.339 1.00 0.00 C ATOM 1707 CG ARG A 114 6.288 5.142 8.789 1.00 0.00 C ATOM 1708 CD ARG A 114 4.992 5.923 8.942 1.00 0.00 C ATOM 1709 NE ARG A 114 3.963 5.147 9.628 1.00 0.00 N ATOM 1710 CZ ARG A 114 3.236 5.617 10.638 1.00 0.00 C ATOM 1711 NH1 ARG A 114 3.425 6.854 11.078 1.00 0.00 N ATOM 1712 NH2 ARG A 114 2.318 4.849 11.209 1.00 0.00 N ATOM 0 H ARG A 114 6.117 7.050 5.664 1.00 0.00 H new ATOM 0 HA ARG A 114 8.136 6.672 7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.859 5.047 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 114 7.297 4.168 7.175 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.150 4.128 9.165 1.00 0.00 H new ATOM 0 HG3 ARG A 114 7.066 5.604 9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.185 6.840 9.498 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.628 6.218 7.958 1.00 0.00 H new ATOM 0 HE ARG A 114 3.792 4.191 9.315 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.130 7.448 10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 114 2.866 7.211 11.853 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.169 3.897 10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 114 1.761 5.210 11.983 1.00 0.00 H new ATOM 1726 N CYS A 115 8.736 6.531 4.781 1.00 0.00 N ATOM 1727 CA CYS A 115 9.692 6.170 3.738 1.00 0.00 C ATOM 1728 C CYS A 115 10.727 7.266 3.514 1.00 0.00 C ATOM 1729 O CYS A 115 11.929 7.002 3.541 1.00 0.00 O ATOM 1730 CB CYS A 115 8.961 5.864 2.434 1.00 0.00 C ATOM 1731 SG CYS A 115 7.695 4.569 2.595 1.00 0.00 S ATOM 0 H CYS A 115 8.167 7.352 4.572 1.00 0.00 H new ATOM 0 HA CYS A 115 10.222 5.278 4.073 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.491 6.777 2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.689 5.557 1.683 1.00 0.00 H new ATOM 1736 N LYS A 116 10.264 8.491 3.287 1.00 0.00 N ATOM 1737 CA LYS A 116 11.166 9.611 3.054 1.00 0.00 C ATOM 1738 C LYS A 116 11.991 9.913 4.302 1.00 0.00 C ATOM 1739 O LYS A 116 11.618 10.760 5.114 1.00 0.00 O ATOM 1740 CB LYS A 116 10.375 10.853 2.638 1.00 0.00 C ATOM 1741 CG LYS A 116 11.201 11.869 1.866 1.00 0.00 C ATOM 1742 CD LYS A 116 11.135 13.245 2.509 1.00 0.00 C ATOM 1743 CE LYS A 116 12.414 13.569 3.264 1.00 0.00 C ATOM 1744 NZ LYS A 116 12.937 14.918 2.918 1.00 0.00 N ATOM 0 H LYS A 116 9.273 8.732 3.260 1.00 0.00 H new ATOM 0 HA LYS A 116 11.846 9.336 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.527 10.546 2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.968 11.330 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.238 11.537 1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.840 11.928 0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.964 13.999 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.287 13.288 3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.225 13.517 4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.170 12.817 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.809 15.100 3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.141 14.960 1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.226 15.638 3.159 1.00 0.00 H new ATOM 1758 N GLY A 117 13.110 9.212 4.447 1.00 0.00 N ATOM 1759 CA GLY A 117 13.968 9.418 5.597 1.00 0.00 C ATOM 1760 C GLY A 117 14.631 8.139 6.069 1.00 0.00 C ATOM 1761 O GLY A 117 15.456 8.164 6.983 1.00 0.00 O ATOM 0 H GLY A 117 13.437 8.505 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.736 10.149 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.381 9.840 6.412 1.00 0.00 H new ATOM 1765 N THR A 118 14.274 7.018 5.447 1.00 0.00 N ATOM 1766 CA THR A 118 14.845 5.726 5.812 1.00 0.00 C ATOM 1767 C THR A 118 15.577 5.103 4.625 1.00 0.00 C ATOM 1768 O THR A 118 16.157 5.814 3.804 1.00 0.00 O ATOM 1769 CB THR A 118 13.756 4.756 6.308 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.719 4.639 5.328 1.00 0.00 O ATOM 1771 CG2 THR A 118 13.163 5.235 7.624 1.00 0.00 C ATOM 0 H THR A 118 13.593 6.979 4.689 1.00 0.00 H new ATOM 0 HA THR A 118 15.555 5.900 6.621 1.00 0.00 H new ATOM 0 HB THR A 118 14.216 3.781 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.032 4.019 5.651 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.396 4.534 7.954 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.949 5.295 8.377 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.718 6.220 7.485 1.00 0.00 H new ATOM 1779 N ASP A 119 15.550 3.775 4.536 1.00 0.00 N ATOM 1780 CA ASP A 119 16.217 3.073 3.446 1.00 0.00 C ATOM 1781 C ASP A 119 15.307 2.038 2.796 1.00 0.00 C ATOM 1782 O ASP A 119 15.098 0.950 3.334 1.00 0.00 O ATOM 1783 CB ASP A 119 17.478 2.409 3.941 1.00 0.00 C ATOM 1784 CG ASP A 119 18.546 2.314 2.868 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.403 1.468 1.961 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.527 3.085 2.937 1.00 0.00 O ATOM 0 H ASP A 119 15.075 3.167 5.203 1.00 0.00 H new ATOM 0 HA ASP A 119 16.472 3.816 2.690 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.870 2.969 4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.240 1.408 4.301 1.00 0.00 H new ATOM 1791 N VAL A 120 14.775 2.386 1.630 1.00 0.00 N ATOM 1792 CA VAL A 120 13.892 1.498 0.886 1.00 0.00 C ATOM 1793 C VAL A 120 14.695 0.396 0.212 1.00 0.00 C ATOM 1794 O VAL A 120 14.210 -0.721 0.037 1.00 0.00 O ATOM 1795 CB VAL A 120 13.088 2.265 -0.181 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.043 3.153 0.475 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.016 3.082 -1.065 1.00 0.00 C ATOM 0 H VAL A 120 14.942 3.285 1.177 1.00 0.00 H new ATOM 0 HA VAL A 120 13.193 1.061 1.599 1.00 0.00 H new ATOM 0 HB VAL A 120 12.571 1.541 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.485 3.687 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.358 2.538 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.536 3.871 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.430 3.616 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.564 3.799 -0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.721 2.418 -1.564 1.00 0.00 H new ATOM 1807 N GLN A 121 15.937 0.714 -0.146 1.00 0.00 N ATOM 1808 CA GLN A 121 16.814 -0.258 -0.778 1.00 0.00 C ATOM 1809 C GLN A 121 17.011 -1.438 0.159 1.00 0.00 C ATOM 1810 O GLN A 121 17.320 -2.550 -0.268 1.00 0.00 O ATOM 1811 CB GLN A 121 18.164 0.376 -1.120 1.00 0.00 C ATOM 1812 CG GLN A 121 18.744 -0.101 -2.441 1.00 0.00 C ATOM 1813 CD GLN A 121 20.214 0.240 -2.590 1.00 0.00 C ATOM 1814 OE1 GLN A 121 20.600 1.408 -2.540 1.00 0.00 O ATOM 1815 NE2 GLN A 121 21.043 -0.780 -2.773 1.00 0.00 N ATOM 0 H GLN A 121 16.354 1.635 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 121 16.356 -0.601 -1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.049 1.459 -1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.872 0.155 -0.321 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.615 -1.180 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.186 0.349 -3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.680 -1.732 -2.808 1.00 0.00 H new ATOM 0 HE22 GLN A 121 22.043 -0.611 -2.879 1.00 0.00 H new ATOM 1824 N ALA A 122 16.806 -1.179 1.448 1.00 0.00 N ATOM 1825 CA ALA A 122 16.933 -2.202 2.471 1.00 0.00 C ATOM 1826 C ALA A 122 15.597 -2.898 2.691 1.00 0.00 C ATOM 1827 O ALA A 122 15.545 -4.018 3.199 1.00 0.00 O ATOM 1828 CB ALA A 122 17.439 -1.594 3.770 1.00 0.00 C ATOM 0 H ALA A 122 16.549 -0.259 1.807 1.00 0.00 H new ATOM 0 HA ALA A 122 17.657 -2.943 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.529 -2.374 4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.414 -1.137 3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.737 -0.834 4.114 1.00 0.00 H new ATOM 1834 N TRP A 123 14.512 -2.230 2.295 1.00 0.00 N ATOM 1835 CA TRP A 123 13.174 -2.798 2.443 1.00 0.00 C ATOM 1836 C TRP A 123 13.036 -4.074 1.616 1.00 0.00 C ATOM 1837 O TRP A 123 12.132 -4.878 1.843 1.00 0.00 O ATOM 1838 CB TRP A 123 12.106 -1.789 2.018 1.00 0.00 C ATOM 1839 CG TRP A 123 11.617 -0.919 3.138 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.376 0.422 3.081 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.305 -1.323 4.479 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.938 0.874 4.302 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.888 -0.183 5.174 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.338 -2.539 5.163 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.511 -0.229 6.508 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.964 -2.582 6.486 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.553 -1.431 7.148 1.00 0.00 C ATOM 0 H TRP A 123 14.534 -1.302 1.873 1.00 0.00 H new ATOM 0 HA TRP A 123 13.029 -3.041 3.496 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.511 -1.156 1.228 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.259 -2.327 1.592 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.510 1.038 2.204 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.690 1.838 4.524 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.655 -3.439 4.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.193 0.664 7.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.990 -3.522 7.017 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.262 -1.490 8.186 1.00 0.00 H new ATOM 1858 N ILE A 124 13.945 -4.254 0.662 1.00 0.00 N ATOM 1859 CA ILE A 124 13.933 -5.432 -0.198 1.00 0.00 C ATOM 1860 C ILE A 124 15.278 -6.149 -0.151 1.00 0.00 C ATOM 1861 O ILE A 124 15.565 -7.011 -0.981 1.00 0.00 O ATOM 1862 CB ILE A 124 13.609 -5.064 -1.657 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.501 -3.915 -2.129 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.139 -4.694 -1.797 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.012 -4.088 -3.543 1.00 0.00 C ATOM 0 H ILE A 124 14.700 -3.597 0.465 1.00 0.00 H new ATOM 0 HA ILE A 124 13.153 -6.094 0.178 1.00 0.00 H new ATOM 0 HB ILE A 124 13.807 -5.932 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.942 -2.982 -2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.351 -3.824 -1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.926 -4.436 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.521 -5.541 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.916 -3.840 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.637 -3.236 -3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.599 -5.004 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.168 -4.148 -4.230 1.00 0.00 H new ATOM 1877 N ARG A 125 16.099 -5.778 0.827 1.00 0.00 N ATOM 1878 CA ARG A 125 17.418 -6.377 0.991 1.00 0.00 C ATOM 1879 C ARG A 125 17.306 -7.863 1.324 1.00 0.00 C ATOM 1880 O ARG A 125 17.101 -8.236 2.480 1.00 0.00 O ATOM 1881 CB ARG A 125 18.196 -5.653 2.092 1.00 0.00 C ATOM 1882 CG ARG A 125 19.615 -5.284 1.691 1.00 0.00 C ATOM 1883 CD ARG A 125 20.635 -6.199 2.348 1.00 0.00 C ATOM 1884 NE ARG A 125 21.173 -7.182 1.411 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.429 -7.618 1.438 1.00 0.00 C ATOM 1886 NH1 ARG A 125 23.274 -7.159 2.352 1.00 0.00 N ATOM 1887 NH2 ARG A 125 22.840 -8.513 0.551 1.00 0.00 N ATOM 0 H ARG A 125 15.873 -5.064 1.519 1.00 0.00 H new ATOM 0 HA ARG A 125 17.955 -6.275 0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.658 -4.746 2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.231 -6.287 2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.715 -5.344 0.607 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.817 -4.251 1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 125 21.451 -5.600 2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.171 -6.715 3.188 1.00 0.00 H new ATOM 0 HE ARG A 125 20.550 -7.555 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.961 -6.470 3.036 1.00 0.00 H new ATOM 0 HH12 ARG A 125 24.237 -7.495 2.371 1.00 0.00 H new ATOM 0 HH21 ARG A 125 22.193 -8.868 -0.153 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.804 -8.847 0.572 1.00 0.00 H new ATOM 1901 N GLY A 126 17.445 -8.705 0.304 1.00 0.00 N ATOM 1902 CA GLY A 126 17.358 -10.139 0.509 1.00 0.00 C ATOM 1903 C GLY A 126 16.154 -10.754 -0.177 1.00 0.00 C ATOM 1904 O GLY A 126 15.962 -11.970 -0.136 1.00 0.00 O ATOM 0 H GLY A 126 17.616 -8.419 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.266 -10.612 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.308 -10.347 1.578 1.00 0.00 H new ATOM 1908 N CYS A 127 15.340 -9.913 -0.806 1.00 0.00 N ATOM 1909 CA CYS A 127 14.148 -10.374 -1.504 1.00 0.00 C ATOM 1910 C CYS A 127 14.500 -11.336 -2.632 1.00 0.00 C ATOM 1911 O CYS A 127 15.290 -11.008 -3.516 1.00 0.00 O ATOM 1912 CB CYS A 127 13.373 -9.191 -2.046 1.00 0.00 C ATOM 1913 SG CYS A 127 12.116 -8.534 -0.904 1.00 0.00 S ATOM 0 H CYS A 127 15.486 -8.904 -0.846 1.00 0.00 H new ATOM 0 HA CYS A 127 13.526 -10.913 -0.789 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.074 -8.394 -2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.885 -9.486 -2.975 1.00 0.00 H new ATOM 1918 N ARG A 128 13.907 -12.525 -2.594 1.00 0.00 N ATOM 1919 CA ARG A 128 14.156 -13.538 -3.612 1.00 0.00 C ATOM 1920 C ARG A 128 13.253 -13.323 -4.824 1.00 0.00 C ATOM 1921 O ARG A 128 12.116 -13.792 -4.853 1.00 0.00 O ATOM 1922 CB ARG A 128 13.932 -14.937 -3.036 1.00 0.00 C ATOM 1923 CG ARG A 128 15.220 -15.660 -2.676 1.00 0.00 C ATOM 1924 CD ARG A 128 15.795 -16.401 -3.872 1.00 0.00 C ATOM 1925 NE ARG A 128 16.870 -17.310 -3.487 1.00 0.00 N ATOM 1926 CZ ARG A 128 17.486 -18.127 -4.337 1.00 0.00 C ATOM 1927 NH1 ARG A 128 17.135 -18.147 -5.616 1.00 0.00 N ATOM 1928 NH2 ARG A 128 18.457 -18.924 -3.908 1.00 0.00 N ATOM 0 H ARG A 128 13.250 -12.810 -1.868 1.00 0.00 H new ATOM 0 HA ARG A 128 15.194 -13.448 -3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.308 -14.859 -2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.380 -15.535 -3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.951 -14.941 -2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.029 -16.365 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 128 15.003 -16.965 -4.364 1.00 0.00 H new ATOM 0 HD3 ARG A 128 16.172 -15.681 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 128 17.166 -17.319 -2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 128 16.391 -17.535 -5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 128 17.609 -18.775 -6.265 1.00 0.00 H new ATOM 0 HH21 ARG A 128 18.731 -18.910 -2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 128 18.929 -19.550 -4.561 1.00 0.00 H new ATOM 1942 N LEU A 129 13.770 -12.612 -5.820 1.00 0.00 N ATOM 1943 CA LEU A 129 13.012 -12.334 -7.035 1.00 0.00 C ATOM 1944 C LEU A 129 13.945 -12.095 -8.217 1.00 0.00 C ATOM 1945 O LEU A 129 13.437 -11.894 -9.340 1.00 0.00 O ATOM 1946 CB LEU A 129 12.107 -11.118 -6.828 1.00 0.00 C ATOM 1947 CG LEU A 129 12.838 -9.788 -6.638 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.734 -8.937 -7.894 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.279 -9.040 -5.438 1.00 0.00 C ATOM 1950 OXT LEU A 129 15.177 -12.110 -8.010 1.00 0.00 O ATOM 0 H LEU A 129 14.711 -12.218 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 129 12.394 -13.205 -7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.442 -11.029 -7.687 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.479 -11.297 -5.956 1.00 0.00 H new ATOM 0 HG LEU A 129 13.891 -9.998 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.260 -7.995 -7.740 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.182 -9.470 -8.733 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.685 -8.736 -8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.811 -8.096 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.219 -8.842 -5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.406 -9.645 -4.540 1.00 0.00 H new TER 1962 LEU A 129