USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 867 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 84 SER OG : rot -123:sc= 1.04 USER MOD Set 1.2: A 88 CYS SG : rot -73:sc= -0.468! USER MOD Set 2.1: A 81 THR OG1 : rot 180:sc= -0.625 USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 46 SER OG : rot 158:sc= 0.0229 USER MOD Set 3.2: A 49 HIS : no HE2:sc= -2.51! C(o=-2.5!,f=-9.8!) USER MOD Set 4.1: A 8 SER OG : rot -160:sc= -0.317 USER MOD Set 4.2: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= -0.139 (180deg=-1.44) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0.0941 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.564 K(o=-0.56,f=-3.7!) USER MOD Single : A 32 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.126 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 150:sc= -0.0191 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -100:sc= 0.432 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.226 K(o=-0.23,f=-1.3) USER MOD Single : A 64 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.2!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0322 X(o=-0.032,f=-0.032) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.023 K(o=-0.023,f=-0.55) USER MOD Single : A 93 THR OG1 : rot -177:sc= 0.796 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 32:sc= 0.123 USER MOD Single : A 105 THR OG1 : rot -105:sc= -0.0887 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0513 USER MOD Single : A 109 ASN : amide:sc= -0.418 K(o=-0.42,f=-1.3) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.2!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.768 -1.301 -3.265 1.00 51.02 N ATOM 2 CA MET A 1 1.662 -0.991 -4.375 1.00 24.34 C ATOM 3 C MET A 1 0.877 -0.488 -5.582 1.00 3.03 C ATOM 4 O MET A 1 0.735 -1.178 -6.591 1.00 72.13 O ATOM 5 CB MET A 1 2.477 -2.227 -4.761 1.00 24.12 C ATOM 6 CG MET A 1 1.632 -3.474 -4.964 1.00 13.24 C ATOM 7 SD MET A 1 2.359 -4.621 -6.149 1.00 23.41 S ATOM 8 CE MET A 1 1.315 -4.341 -7.577 1.00 1.53 C ATOM 0 H1 MET A 1 1.108 -2.151 -2.772 1.00 51.02 H new ATOM 0 H2 MET A 1 0.748 -0.501 -2.601 1.00 51.02 H new ATOM 0 H3 MET A 1 -0.191 -1.472 -3.629 1.00 51.02 H new ATOM 0 HA MET A 1 2.342 -0.202 -4.052 1.00 24.34 H new ATOM 0 HB2 MET A 1 3.027 -2.017 -5.679 1.00 24.12 H new ATOM 0 HB3 MET A 1 3.216 -2.422 -3.984 1.00 24.12 H new ATOM 0 HG2 MET A 1 1.502 -3.980 -4.007 1.00 13.24 H new ATOM 0 HG3 MET A 1 0.639 -3.183 -5.308 1.00 13.24 H new ATOM 0 HE1 MET A 1 1.641 -4.981 -8.397 1.00 1.53 H new ATOM 0 HE2 MET A 1 0.281 -4.574 -7.323 1.00 1.53 H new ATOM 0 HE3 MET A 1 1.387 -3.297 -7.881 1.00 1.53 H new ATOM 18 N PRO A 2 0.355 0.743 -5.478 1.00 10.13 N ATOM 19 CA PRO A 2 -0.424 1.366 -6.552 1.00 72.30 C ATOM 20 C PRO A 2 0.436 1.726 -7.758 1.00 42.31 C ATOM 21 O PRO A 2 1.590 1.308 -7.858 1.00 24.32 O ATOM 22 CB PRO A 2 -0.984 2.631 -5.897 1.00 22.11 C ATOM 23 CG PRO A 2 -0.025 2.946 -4.802 1.00 5.34 C ATOM 24 CD PRO A 2 0.485 1.622 -4.304 1.00 3.24 C ATOM 0 HA PRO A 2 -1.191 0.696 -6.940 1.00 72.30 H new ATOM 0 HB2 PRO A 2 -1.051 3.451 -6.612 1.00 22.11 H new ATOM 0 HB3 PRO A 2 -1.988 2.464 -5.508 1.00 22.11 H new ATOM 0 HG2 PRO A 2 0.793 3.567 -5.167 1.00 5.34 H new ATOM 0 HG3 PRO A 2 -0.515 3.501 -4.002 1.00 5.34 H new ATOM 0 HD2 PRO A 2 1.519 1.691 -3.966 1.00 3.24 H new ATOM 0 HD3 PRO A 2 -0.102 1.256 -3.461 1.00 3.24 H new ATOM 32 N LEU A 3 -0.132 2.505 -8.672 1.00 44.32 N ATOM 33 CA LEU A 3 0.584 2.923 -9.873 1.00 4.23 C ATOM 34 C LEU A 3 0.614 4.444 -9.987 1.00 62.12 C ATOM 35 O LEU A 3 -0.366 5.119 -9.672 1.00 11.11 O ATOM 36 CB LEU A 3 -0.070 2.319 -11.117 1.00 2.44 C ATOM 37 CG LEU A 3 0.309 2.960 -12.452 1.00 64.13 C ATOM 38 CD1 LEU A 3 1.784 2.739 -12.750 1.00 43.54 C ATOM 39 CD2 LEU A 3 -0.553 2.402 -13.575 1.00 62.12 C ATOM 0 H LEU A 3 -1.086 2.860 -8.605 1.00 44.32 H new ATOM 0 HA LEU A 3 1.610 2.562 -9.799 1.00 4.23 H new ATOM 0 HB2 LEU A 3 0.185 1.260 -11.160 1.00 2.44 H new ATOM 0 HB3 LEU A 3 -1.152 2.381 -11.001 1.00 2.44 H new ATOM 0 HG LEU A 3 0.130 4.033 -12.382 1.00 64.13 H new ATOM 0 HD11 LEU A 3 2.036 3.202 -13.704 1.00 43.54 H new ATOM 0 HD12 LEU A 3 2.386 3.187 -11.959 1.00 43.54 H new ATOM 0 HD13 LEU A 3 1.989 1.670 -12.801 1.00 43.54 H new ATOM 0 HD21 LEU A 3 -0.269 2.870 -14.518 1.00 62.12 H new ATOM 0 HD22 LEU A 3 -0.406 1.324 -13.646 1.00 62.12 H new ATOM 0 HD23 LEU A 3 -1.602 2.612 -13.367 1.00 62.12 H new ATOM 51 N ILE A 4 1.744 4.976 -10.442 1.00 33.31 N ATOM 52 CA ILE A 4 1.899 6.416 -10.601 1.00 44.22 C ATOM 53 C ILE A 4 2.118 6.787 -12.064 1.00 63.01 C ATOM 54 O ILE A 4 3.013 6.257 -12.724 1.00 72.20 O ATOM 55 CB ILE A 4 3.078 6.951 -9.766 1.00 33.10 C ATOM 56 CG1 ILE A 4 2.948 6.495 -8.311 1.00 65.32 C ATOM 57 CG2 ILE A 4 3.139 8.469 -9.847 1.00 72.23 C ATOM 58 CD1 ILE A 4 1.610 6.827 -7.691 1.00 35.45 C ATOM 0 H ILE A 4 2.565 4.431 -10.707 1.00 33.31 H new ATOM 0 HA ILE A 4 0.976 6.874 -10.246 1.00 44.22 H new ATOM 0 HB ILE A 4 4.005 6.548 -10.173 1.00 33.10 H new ATOM 0 HG12 ILE A 4 3.105 5.418 -8.261 1.00 65.32 H new ATOM 0 HG13 ILE A 4 3.738 6.960 -7.721 1.00 65.32 H new ATOM 0 HG21 ILE A 4 3.977 8.832 -9.252 1.00 72.23 H new ATOM 0 HG22 ILE A 4 3.273 8.773 -10.885 1.00 72.23 H new ATOM 0 HG23 ILE A 4 2.211 8.891 -9.462 1.00 72.23 H new ATOM 0 HD11 ILE A 4 1.589 6.474 -6.660 1.00 35.45 H new ATOM 0 HD12 ILE A 4 1.459 7.906 -7.709 1.00 35.45 H new ATOM 0 HD13 ILE A 4 0.816 6.340 -8.257 1.00 35.45 H new ATOM 70 N THR A 5 1.296 7.703 -12.566 1.00 41.22 N ATOM 71 CA THR A 5 1.400 8.146 -13.951 1.00 14.33 C ATOM 72 C THR A 5 2.458 9.232 -14.103 1.00 4.42 C ATOM 73 O THR A 5 2.275 10.360 -13.645 1.00 2.52 O ATOM 74 CB THR A 5 0.052 8.682 -14.471 1.00 45.22 C ATOM 75 OG1 THR A 5 -0.936 7.647 -14.429 1.00 21.13 O ATOM 76 CG2 THR A 5 0.190 9.201 -15.895 1.00 20.23 C ATOM 0 H THR A 5 0.551 8.153 -12.034 1.00 41.22 H new ATOM 0 HA THR A 5 1.689 7.276 -14.541 1.00 14.33 H new ATOM 0 HB THR A 5 -0.259 9.506 -13.829 1.00 45.22 H new ATOM 0 HG1 THR A 5 -1.790 7.996 -14.759 1.00 21.13 H new ATOM 0 HG21 THR A 5 -0.774 9.574 -16.241 1.00 20.23 H new ATOM 0 HG22 THR A 5 0.922 10.009 -15.919 1.00 20.23 H new ATOM 0 HG23 THR A 5 0.521 8.392 -16.547 1.00 20.23 H new ATOM 84 N PHE A 6 3.566 8.886 -14.749 1.00 65.42 N ATOM 85 CA PHE A 6 4.656 9.832 -14.961 1.00 74.35 C ATOM 86 C PHE A 6 4.523 10.519 -16.317 1.00 74.14 C ATOM 87 O PHE A 6 4.414 9.859 -17.351 1.00 51.03 O ATOM 88 CB PHE A 6 6.005 9.117 -14.869 1.00 45.15 C ATOM 89 CG PHE A 6 6.194 8.354 -13.590 1.00 33.04 C ATOM 90 CD1 PHE A 6 5.858 8.923 -12.372 1.00 54.41 C ATOM 91 CD2 PHE A 6 6.707 7.067 -13.604 1.00 44.10 C ATOM 92 CE1 PHE A 6 6.029 8.224 -11.192 1.00 62.24 C ATOM 93 CE2 PHE A 6 6.881 6.363 -12.428 1.00 32.52 C ATOM 94 CZ PHE A 6 6.542 6.942 -11.220 1.00 65.14 C ATOM 0 H PHE A 6 3.733 7.957 -15.135 1.00 65.42 H new ATOM 0 HA PHE A 6 4.602 10.592 -14.181 1.00 74.35 H new ATOM 0 HB2 PHE A 6 6.101 8.430 -15.710 1.00 45.15 H new ATOM 0 HB3 PHE A 6 6.804 9.852 -14.965 1.00 45.15 H new ATOM 0 HD1 PHE A 6 5.457 9.926 -12.344 1.00 54.41 H new ATOM 0 HD2 PHE A 6 6.974 6.609 -14.545 1.00 44.10 H new ATOM 0 HE1 PHE A 6 5.762 8.679 -10.250 1.00 62.24 H new ATOM 0 HE2 PHE A 6 7.282 5.360 -12.453 1.00 32.52 H new ATOM 0 HZ PHE A 6 6.678 6.393 -10.300 1.00 65.14 H new ATOM 104 N ILE A 7 4.532 11.847 -16.304 1.00 15.51 N ATOM 105 CA ILE A 7 4.412 12.624 -17.532 1.00 5.14 C ATOM 106 C ILE A 7 5.772 13.143 -17.988 1.00 31.01 C ATOM 107 O ILE A 7 6.586 13.580 -17.174 1.00 71.15 O ATOM 108 CB ILE A 7 3.454 13.816 -17.353 1.00 1.42 C ATOM 109 CG1 ILE A 7 2.152 13.358 -16.693 1.00 71.34 C ATOM 110 CG2 ILE A 7 3.171 14.475 -18.695 1.00 24.40 C ATOM 111 CD1 ILE A 7 2.185 13.421 -15.182 1.00 54.25 C ATOM 0 H ILE A 7 4.621 12.408 -15.457 1.00 15.51 H new ATOM 0 HA ILE A 7 4.007 11.955 -18.291 1.00 5.14 H new ATOM 0 HB ILE A 7 3.930 14.550 -16.703 1.00 1.42 H new ATOM 0 HG12 ILE A 7 1.332 13.978 -17.056 1.00 71.34 H new ATOM 0 HG13 ILE A 7 1.938 12.335 -17.001 1.00 71.34 H new ATOM 0 HG21 ILE A 7 2.492 15.316 -18.552 1.00 24.40 H new ATOM 0 HG22 ILE A 7 4.105 14.832 -19.129 1.00 24.40 H new ATOM 0 HG23 ILE A 7 2.713 13.750 -19.367 1.00 24.40 H new ATOM 0 HD11 ILE A 7 1.229 13.082 -14.783 1.00 54.25 H new ATOM 0 HD12 ILE A 7 2.983 12.779 -14.808 1.00 54.25 H new ATOM 0 HD13 ILE A 7 2.367 14.448 -14.865 1.00 54.25 H new ATOM 123 N SER A 8 6.010 13.093 -19.295 1.00 11.34 N ATOM 124 CA SER A 8 7.272 13.557 -19.860 1.00 32.51 C ATOM 125 C SER A 8 7.146 14.989 -20.369 1.00 55.12 C ATOM 126 O SER A 8 6.049 15.494 -20.612 1.00 4.50 O ATOM 127 CB SER A 8 7.713 12.635 -20.999 1.00 5.42 C ATOM 128 OG SER A 8 8.516 11.573 -20.513 1.00 40.14 O ATOM 0 H SER A 8 5.346 12.736 -19.982 1.00 11.34 H new ATOM 0 HA SER A 8 8.025 13.536 -19.072 1.00 32.51 H new ATOM 0 HB2 SER A 8 6.836 12.230 -21.504 1.00 5.42 H new ATOM 0 HB3 SER A 8 8.271 13.208 -21.740 1.00 5.42 H new ATOM 0 HG SER A 8 9.037 11.193 -21.251 1.00 40.14 H new ATOM 134 N PRO A 9 8.295 15.661 -20.535 1.00 73.42 N ATOM 135 CA PRO A 9 8.341 17.044 -21.017 1.00 54.25 C ATOM 136 C PRO A 9 7.947 17.159 -22.486 1.00 41.52 C ATOM 137 O PRO A 9 7.488 18.210 -22.935 1.00 62.00 O ATOM 138 CB PRO A 9 9.807 17.439 -20.824 1.00 71.21 C ATOM 139 CG PRO A 9 10.554 16.151 -20.865 1.00 64.24 C ATOM 140 CD PRO A 9 9.638 15.121 -20.265 1.00 71.34 C ATOM 0 HA PRO A 9 7.639 17.685 -20.483 1.00 54.25 H new ATOM 0 HB2 PRO A 9 10.142 18.116 -21.610 1.00 71.21 H new ATOM 0 HB3 PRO A 9 9.957 17.954 -19.875 1.00 71.21 H new ATOM 0 HG2 PRO A 9 10.821 15.887 -21.888 1.00 64.24 H new ATOM 0 HG3 PRO A 9 11.484 16.221 -20.301 1.00 64.24 H new ATOM 0 HD2 PRO A 9 9.778 14.143 -20.725 1.00 71.34 H new ATOM 0 HD3 PRO A 9 9.815 14.999 -19.196 1.00 71.34 H new ATOM 148 N ASP A 10 8.129 16.074 -23.229 1.00 61.45 N ATOM 149 CA ASP A 10 7.791 16.053 -24.648 1.00 24.30 C ATOM 150 C ASP A 10 6.304 15.781 -24.848 1.00 72.25 C ATOM 151 O ASP A 10 5.773 15.953 -25.945 1.00 62.30 O ATOM 152 CB ASP A 10 8.619 14.992 -25.375 1.00 70.15 C ATOM 153 CG ASP A 10 10.068 14.983 -24.931 1.00 23.23 C ATOM 154 OD1 ASP A 10 10.379 14.298 -23.934 1.00 21.52 O ATOM 155 OD2 ASP A 10 10.892 15.660 -25.580 1.00 51.31 O ATOM 0 H ASP A 10 8.509 15.197 -22.873 1.00 61.45 H new ATOM 0 HA ASP A 10 8.022 17.033 -25.066 1.00 24.30 H new ATOM 0 HB2 ASP A 10 8.182 14.010 -25.197 1.00 70.15 H new ATOM 0 HB3 ASP A 10 8.572 15.172 -26.449 1.00 70.15 H new ATOM 160 N GLY A 11 5.636 15.354 -23.781 1.00 10.02 N ATOM 161 CA GLY A 11 4.216 15.064 -23.861 1.00 23.12 C ATOM 162 C GLY A 11 3.922 13.579 -23.778 1.00 4.21 C ATOM 163 O GLY A 11 2.797 13.148 -24.026 1.00 74.41 O ATOM 0 H GLY A 11 6.053 15.204 -22.862 1.00 10.02 H new ATOM 0 HA2 GLY A 11 3.697 15.580 -23.053 1.00 23.12 H new ATOM 0 HA3 GLY A 11 3.820 15.458 -24.797 1.00 23.12 H new ATOM 167 N SER A 12 4.937 12.795 -23.430 1.00 5.14 N ATOM 168 CA SER A 12 4.784 11.349 -23.320 1.00 51.11 C ATOM 169 C SER A 12 4.238 10.963 -21.949 1.00 0.02 C ATOM 170 O SER A 12 3.820 11.821 -21.171 1.00 31.10 O ATOM 171 CB SER A 12 6.124 10.653 -23.562 1.00 64.25 C ATOM 172 OG SER A 12 5.936 9.362 -24.116 1.00 51.14 O ATOM 0 H SER A 12 5.875 13.137 -23.219 1.00 5.14 H new ATOM 0 HA SER A 12 4.072 11.025 -24.080 1.00 51.11 H new ATOM 0 HB2 SER A 12 6.734 11.256 -24.235 1.00 64.25 H new ATOM 0 HB3 SER A 12 6.671 10.573 -22.622 1.00 64.25 H new ATOM 0 HG SER A 12 6.808 8.939 -24.263 1.00 51.14 H new ATOM 178 N ARG A 13 4.245 9.666 -21.660 1.00 24.13 N ATOM 179 CA ARG A 13 3.750 9.165 -20.383 1.00 62.34 C ATOM 180 C ARG A 13 4.312 7.777 -20.089 1.00 61.23 C ATOM 181 O ARG A 13 4.363 6.916 -20.969 1.00 2.55 O ATOM 182 CB ARG A 13 2.221 9.117 -20.389 1.00 21.14 C ATOM 183 CG ARG A 13 1.642 8.289 -21.524 1.00 35.44 C ATOM 184 CD ARG A 13 0.254 8.772 -21.914 1.00 14.31 C ATOM 185 NE ARG A 13 -0.774 8.281 -21.000 1.00 73.44 N ATOM 186 CZ ARG A 13 -2.071 8.274 -21.288 1.00 70.13 C ATOM 187 NH1 ARG A 13 -2.496 8.730 -22.459 1.00 30.54 N ATOM 188 NH2 ARG A 13 -2.946 7.810 -20.405 1.00 3.13 N ATOM 0 H ARG A 13 4.588 8.943 -22.293 1.00 24.13 H new ATOM 0 HA ARG A 13 4.083 9.846 -19.600 1.00 62.34 H new ATOM 0 HB2 ARG A 13 1.875 8.709 -19.439 1.00 21.14 H new ATOM 0 HB3 ARG A 13 1.834 10.134 -20.458 1.00 21.14 H new ATOM 0 HG2 ARG A 13 2.303 8.342 -22.389 1.00 35.44 H new ATOM 0 HG3 ARG A 13 1.593 7.242 -21.224 1.00 35.44 H new ATOM 0 HD2 ARG A 13 0.239 9.862 -21.924 1.00 14.31 H new ATOM 0 HD3 ARG A 13 0.026 8.441 -22.927 1.00 14.31 H new ATOM 0 HE ARG A 13 -0.480 7.924 -20.091 1.00 73.44 H new ATOM 0 HH11 ARG A 13 -1.827 9.087 -23.141 1.00 30.54 H new ATOM 0 HH12 ARG A 13 -3.492 8.724 -22.678 1.00 30.54 H new ATOM 0 HH21 ARG A 13 -2.623 7.458 -19.504 1.00 3.13 H new ATOM 0 HH22 ARG A 13 -3.941 7.805 -20.628 1.00 3.13 H new ATOM 202 N LYS A 14 4.733 7.566 -18.847 1.00 25.10 N ATOM 203 CA LYS A 14 5.291 6.283 -18.435 1.00 43.31 C ATOM 204 C LYS A 14 4.423 5.631 -17.364 1.00 72.02 C ATOM 205 O LYS A 14 3.866 6.311 -16.501 1.00 44.24 O ATOM 206 CB LYS A 14 6.716 6.469 -17.908 1.00 50.01 C ATOM 207 CG LYS A 14 7.739 6.732 -19.000 1.00 31.43 C ATOM 208 CD LYS A 14 7.867 8.216 -19.299 1.00 32.13 C ATOM 209 CE LYS A 14 8.160 8.465 -20.770 1.00 72.24 C ATOM 210 NZ LYS A 14 9.623 8.515 -21.044 1.00 13.11 N ATOM 0 H LYS A 14 4.699 8.267 -18.107 1.00 25.10 H new ATOM 0 HA LYS A 14 5.315 5.629 -19.306 1.00 43.31 H new ATOM 0 HB2 LYS A 14 6.728 7.300 -17.203 1.00 50.01 H new ATOM 0 HB3 LYS A 14 7.009 5.577 -17.354 1.00 50.01 H new ATOM 0 HG2 LYS A 14 8.708 6.337 -18.695 1.00 31.43 H new ATOM 0 HG3 LYS A 14 7.449 6.201 -19.907 1.00 31.43 H new ATOM 0 HD2 LYS A 14 6.945 8.725 -19.019 1.00 32.13 H new ATOM 0 HD3 LYS A 14 8.664 8.643 -18.691 1.00 32.13 H new ATOM 0 HE2 LYS A 14 7.705 7.676 -21.369 1.00 72.24 H new ATOM 0 HE3 LYS A 14 7.701 9.404 -21.078 1.00 72.24 H new ATOM 0 HZ1 LYS A 14 9.781 8.686 -22.058 1.00 13.11 H new ATOM 0 HZ2 LYS A 14 10.054 9.284 -20.492 1.00 13.11 H new ATOM 0 HZ3 LYS A 14 10.058 7.610 -20.774 1.00 13.11 H new ATOM 224 N THR A 15 4.312 4.307 -17.424 1.00 15.51 N ATOM 225 CA THR A 15 3.511 3.563 -16.459 1.00 44.54 C ATOM 226 C THR A 15 4.374 2.590 -15.664 1.00 73.23 C ATOM 227 O THR A 15 4.907 1.626 -16.214 1.00 71.14 O ATOM 228 CB THR A 15 2.380 2.781 -17.153 1.00 12.34 C ATOM 229 OG1 THR A 15 1.733 3.612 -18.123 1.00 1.20 O ATOM 230 CG2 THR A 15 1.359 2.291 -16.136 1.00 44.33 C ATOM 0 H THR A 15 4.767 3.728 -18.130 1.00 15.51 H new ATOM 0 HA THR A 15 3.073 4.294 -15.780 1.00 44.54 H new ATOM 0 HB THR A 15 2.818 1.916 -17.651 1.00 12.34 H new ATOM 0 HG1 THR A 15 1.016 3.107 -18.561 1.00 1.20 H new ATOM 0 HG21 THR A 15 0.570 1.741 -16.649 1.00 44.33 H new ATOM 0 HG22 THR A 15 1.849 1.635 -15.416 1.00 44.33 H new ATOM 0 HG23 THR A 15 0.927 3.145 -15.614 1.00 44.33 H new ATOM 238 N TYR A 16 4.506 2.847 -14.368 1.00 1.01 N ATOM 239 CA TYR A 16 5.306 1.994 -13.497 1.00 73.52 C ATOM 240 C TYR A 16 4.723 1.955 -12.088 1.00 30.23 C ATOM 241 O TYR A 16 4.423 2.994 -11.500 1.00 71.43 O ATOM 242 CB TYR A 16 6.752 2.490 -13.450 1.00 32.33 C ATOM 243 CG TYR A 16 7.579 2.058 -14.639 1.00 44.34 C ATOM 244 CD1 TYR A 16 7.541 2.769 -15.832 1.00 51.42 C ATOM 245 CD2 TYR A 16 8.401 0.940 -14.570 1.00 33.41 C ATOM 246 CE1 TYR A 16 8.295 2.378 -16.922 1.00 13.23 C ATOM 247 CE2 TYR A 16 9.159 0.542 -15.654 1.00 22.11 C ATOM 248 CZ TYR A 16 9.102 1.264 -16.828 1.00 4.14 C ATOM 249 OH TYR A 16 9.856 0.872 -17.910 1.00 51.02 O ATOM 0 H TYR A 16 4.069 3.639 -13.897 1.00 1.01 H new ATOM 0 HA TYR A 16 5.289 0.984 -13.905 1.00 73.52 H new ATOM 0 HB2 TYR A 16 6.752 3.579 -13.394 1.00 32.33 H new ATOM 0 HB3 TYR A 16 7.223 2.124 -12.538 1.00 32.33 H new ATOM 0 HD1 TYR A 16 6.911 3.643 -15.909 1.00 51.42 H new ATOM 0 HD2 TYR A 16 8.448 0.372 -13.653 1.00 33.41 H new ATOM 0 HE1 TYR A 16 8.252 2.942 -17.842 1.00 13.23 H new ATOM 0 HE2 TYR A 16 9.793 -0.330 -15.583 1.00 22.11 H new ATOM 0 HH TYR A 16 10.369 0.070 -17.678 1.00 51.02 H new ATOM 259 N GLU A 17 4.567 0.748 -11.552 1.00 12.31 N ATOM 260 CA GLU A 17 4.020 0.573 -10.211 1.00 50.55 C ATOM 261 C GLU A 17 5.012 1.046 -9.153 1.00 45.21 C ATOM 262 O GLU A 17 6.138 0.554 -9.079 1.00 10.22 O ATOM 263 CB GLU A 17 3.661 -0.894 -9.970 1.00 60.34 C ATOM 264 CG GLU A 17 2.346 -1.312 -10.608 1.00 4.14 C ATOM 265 CD GLU A 17 2.331 -2.774 -11.009 1.00 21.24 C ATOM 266 OE1 GLU A 17 3.331 -3.240 -11.593 1.00 23.31 O ATOM 267 OE2 GLU A 17 1.318 -3.452 -10.738 1.00 30.55 O ATOM 0 H GLU A 17 4.811 -0.122 -12.025 1.00 12.31 H new ATOM 0 HA GLU A 17 3.117 1.178 -10.133 1.00 50.55 H new ATOM 0 HB2 GLU A 17 4.461 -1.524 -10.360 1.00 60.34 H new ATOM 0 HB3 GLU A 17 3.608 -1.075 -8.896 1.00 60.34 H new ATOM 0 HG2 GLU A 17 1.531 -1.122 -9.909 1.00 4.14 H new ATOM 0 HG3 GLU A 17 2.161 -0.696 -11.488 1.00 4.14 H new ATOM 274 N ALA A 18 4.586 2.004 -8.337 1.00 3.43 N ATOM 275 CA ALA A 18 5.436 2.543 -7.282 1.00 12.02 C ATOM 276 C ALA A 18 5.026 2.001 -5.917 1.00 22.04 C ATOM 277 O ALA A 18 3.967 1.389 -5.773 1.00 44.20 O ATOM 278 CB ALA A 18 5.382 4.064 -7.286 1.00 22.42 C ATOM 0 H ALA A 18 3.657 2.423 -8.386 1.00 3.43 H new ATOM 0 HA ALA A 18 6.461 2.226 -7.477 1.00 12.02 H new ATOM 0 HB1 ALA A 18 6.021 4.453 -6.493 1.00 22.42 H new ATOM 0 HB2 ALA A 18 5.730 4.438 -8.249 1.00 22.42 H new ATOM 0 HB3 ALA A 18 4.356 4.392 -7.119 1.00 22.42 H new ATOM 284 N TYR A 19 5.871 2.229 -4.917 1.00 61.53 N ATOM 285 CA TYR A 19 5.598 1.760 -3.564 1.00 21.11 C ATOM 286 C TYR A 19 5.491 2.932 -2.593 1.00 30.22 C ATOM 287 O TYR A 19 5.579 4.093 -2.992 1.00 13.22 O ATOM 288 CB TYR A 19 6.696 0.800 -3.103 1.00 21.12 C ATOM 289 CG TYR A 19 6.243 -0.640 -3.014 1.00 3.01 C ATOM 290 CD1 TYR A 19 6.191 -1.444 -4.146 1.00 1.21 C ATOM 291 CD2 TYR A 19 5.869 -1.197 -1.797 1.00 54.12 C ATOM 292 CE1 TYR A 19 5.777 -2.760 -4.069 1.00 43.52 C ATOM 293 CE2 TYR A 19 5.455 -2.512 -1.711 1.00 32.11 C ATOM 294 CZ TYR A 19 5.410 -3.289 -2.850 1.00 24.24 C ATOM 295 OH TYR A 19 4.999 -4.600 -2.769 1.00 10.22 O ATOM 0 H TYR A 19 6.750 2.736 -5.018 1.00 61.53 H new ATOM 0 HA TYR A 19 4.644 1.232 -3.575 1.00 21.11 H new ATOM 0 HB2 TYR A 19 7.537 0.865 -3.793 1.00 21.12 H new ATOM 0 HB3 TYR A 19 7.059 1.119 -2.126 1.00 21.12 H new ATOM 0 HD1 TYR A 19 6.479 -1.033 -5.102 1.00 1.21 H new ATOM 0 HD2 TYR A 19 5.903 -0.591 -0.903 1.00 54.12 H new ATOM 0 HE1 TYR A 19 5.741 -3.371 -4.959 1.00 43.52 H new ATOM 0 HE2 TYR A 19 5.168 -2.930 -0.757 1.00 32.11 H new ATOM 0 HH TYR A 19 4.777 -4.816 -1.839 1.00 10.22 H new ATOM 305 N ASP A 20 5.301 2.618 -1.316 1.00 65.10 N ATOM 306 CA ASP A 20 5.184 3.643 -0.286 1.00 11.41 C ATOM 307 C ASP A 20 6.561 4.093 0.193 1.00 52.34 C ATOM 308 O ASP A 20 7.276 3.341 0.853 1.00 11.34 O ATOM 309 CB ASP A 20 4.366 3.119 0.895 1.00 21.43 C ATOM 310 CG ASP A 20 3.228 2.218 0.457 1.00 51.21 C ATOM 311 OD1 ASP A 20 2.624 2.498 -0.600 1.00 22.33 O ATOM 312 OD2 ASP A 20 2.940 1.235 1.171 1.00 63.41 O ATOM 0 H ASP A 20 5.225 1.662 -0.970 1.00 65.10 H new ATOM 0 HA ASP A 20 4.672 4.502 -0.720 1.00 11.41 H new ATOM 0 HB2 ASP A 20 5.021 2.570 1.571 1.00 21.43 H new ATOM 0 HB3 ASP A 20 3.963 3.962 1.456 1.00 21.43 H new ATOM 317 N GLY A 21 6.926 5.326 -0.147 1.00 64.21 N ATOM 318 CA GLY A 21 8.217 5.854 0.255 1.00 12.10 C ATOM 319 C GLY A 21 9.372 5.124 -0.400 1.00 62.51 C ATOM 320 O GLY A 21 10.526 5.300 -0.011 1.00 21.51 O ATOM 0 H GLY A 21 6.351 5.968 -0.693 1.00 64.21 H new ATOM 0 HA2 GLY A 21 8.269 6.912 -0.001 1.00 12.10 H new ATOM 0 HA3 GLY A 21 8.314 5.783 1.338 1.00 12.10 H new ATOM 324 N GLU A 22 9.061 4.300 -1.396 1.00 41.24 N ATOM 325 CA GLU A 22 10.083 3.539 -2.105 1.00 23.45 C ATOM 326 C GLU A 22 10.598 4.313 -3.315 1.00 31.33 C ATOM 327 O GLU A 22 9.824 4.715 -4.185 1.00 23.15 O ATOM 328 CB GLU A 22 9.525 2.185 -2.550 1.00 42.55 C ATOM 329 CG GLU A 22 10.581 1.244 -3.105 1.00 5.32 C ATOM 330 CD GLU A 22 10.278 -0.212 -2.810 1.00 1.24 C ATOM 331 OE1 GLU A 22 10.124 -0.555 -1.619 1.00 32.42 O ATOM 332 OE2 GLU A 22 10.195 -1.007 -3.768 1.00 62.44 O ATOM 0 H GLU A 22 8.110 4.143 -1.730 1.00 41.24 H new ATOM 0 HA GLU A 22 10.916 3.374 -1.421 1.00 23.45 H new ATOM 0 HB2 GLU A 22 9.034 1.707 -1.702 1.00 42.55 H new ATOM 0 HB3 GLU A 22 8.761 2.348 -3.310 1.00 42.55 H new ATOM 0 HG2 GLU A 22 10.657 1.384 -4.183 1.00 5.32 H new ATOM 0 HG3 GLU A 22 11.551 1.502 -2.681 1.00 5.32 H new ATOM 339 N THR A 23 11.910 4.519 -3.364 1.00 24.04 N ATOM 340 CA THR A 23 12.529 5.246 -4.465 1.00 23.12 C ATOM 341 C THR A 23 12.612 4.381 -5.717 1.00 73.22 C ATOM 342 O THR A 23 12.515 3.155 -5.645 1.00 72.01 O ATOM 343 CB THR A 23 13.944 5.729 -4.094 1.00 63.22 C ATOM 344 OG1 THR A 23 14.573 6.323 -5.235 1.00 4.21 O ATOM 345 CG2 THR A 23 14.794 4.574 -3.584 1.00 52.43 C ATOM 0 H THR A 23 12.565 4.192 -2.653 1.00 24.04 H new ATOM 0 HA THR A 23 11.898 6.112 -4.666 1.00 23.12 H new ATOM 0 HB THR A 23 13.855 6.471 -3.301 1.00 63.22 H new ATOM 0 HG1 THR A 23 15.471 6.629 -4.991 1.00 4.21 H new ATOM 0 HG21 THR A 23 15.789 4.939 -3.328 1.00 52.43 H new ATOM 0 HG22 THR A 23 14.327 4.142 -2.699 1.00 52.43 H new ATOM 0 HG23 THR A 23 14.876 3.812 -4.359 1.00 52.43 H new ATOM 353 N LEU A 24 12.792 5.025 -6.865 1.00 14.32 N ATOM 354 CA LEU A 24 12.888 4.314 -8.135 1.00 0.02 C ATOM 355 C LEU A 24 13.988 3.259 -8.086 1.00 24.22 C ATOM 356 O LEU A 24 13.898 2.221 -8.742 1.00 75.43 O ATOM 357 CB LEU A 24 13.160 5.298 -9.274 1.00 11.32 C ATOM 358 CG LEU A 24 12.066 5.414 -10.336 1.00 44.13 C ATOM 359 CD1 LEU A 24 11.768 4.053 -10.946 1.00 2.11 C ATOM 360 CD2 LEU A 24 10.805 6.021 -9.739 1.00 41.14 C ATOM 0 H LEU A 24 12.874 6.039 -6.942 1.00 14.32 H new ATOM 0 HA LEU A 24 11.937 3.813 -8.315 1.00 0.02 H new ATOM 0 HB2 LEU A 24 13.326 6.285 -8.843 1.00 11.32 H new ATOM 0 HB3 LEU A 24 14.087 5.005 -9.767 1.00 11.32 H new ATOM 0 HG LEU A 24 12.423 6.074 -11.127 1.00 44.13 H new ATOM 0 HD11 LEU A 24 10.987 4.155 -11.700 1.00 2.11 H new ATOM 0 HD12 LEU A 24 12.671 3.657 -11.411 1.00 2.11 H new ATOM 0 HD13 LEU A 24 11.432 3.370 -10.166 1.00 2.11 H new ATOM 0 HD21 LEU A 24 10.037 6.096 -10.509 1.00 41.14 H new ATOM 0 HD22 LEU A 24 10.445 5.388 -8.928 1.00 41.14 H new ATOM 0 HD23 LEU A 24 11.028 7.015 -9.351 1.00 41.14 H new ATOM 372 N LEU A 25 15.026 3.530 -7.302 1.00 43.14 N ATOM 373 CA LEU A 25 16.144 2.603 -7.165 1.00 62.11 C ATOM 374 C LEU A 25 15.656 1.220 -6.746 1.00 23.13 C ATOM 375 O LEU A 25 16.012 0.213 -7.358 1.00 53.24 O ATOM 376 CB LEU A 25 17.150 3.133 -6.142 1.00 12.53 C ATOM 377 CG LEU A 25 17.762 4.500 -6.449 1.00 44.31 C ATOM 378 CD1 LEU A 25 18.353 5.116 -5.190 1.00 62.21 C ATOM 379 CD2 LEU A 25 18.823 4.378 -7.533 1.00 61.34 C ATOM 0 H LEU A 25 15.117 4.384 -6.752 1.00 43.14 H new ATOM 0 HA LEU A 25 16.633 2.517 -8.135 1.00 62.11 H new ATOM 0 HB2 LEU A 25 16.657 3.188 -5.172 1.00 12.53 H new ATOM 0 HB3 LEU A 25 17.959 2.408 -6.048 1.00 12.53 H new ATOM 0 HG LEU A 25 16.972 5.156 -6.813 1.00 44.31 H new ATOM 0 HD11 LEU A 25 18.784 6.088 -5.428 1.00 62.21 H new ATOM 0 HD12 LEU A 25 17.569 5.240 -4.443 1.00 62.21 H new ATOM 0 HD13 LEU A 25 19.130 4.462 -4.795 1.00 62.21 H new ATOM 0 HD21 LEU A 25 19.248 5.361 -7.739 1.00 61.34 H new ATOM 0 HD22 LEU A 25 19.612 3.705 -7.196 1.00 61.34 H new ATOM 0 HD23 LEU A 25 18.371 3.981 -8.442 1.00 61.34 H new ATOM 391 N SER A 26 14.838 1.179 -5.699 1.00 24.12 N ATOM 392 CA SER A 26 14.302 -0.081 -5.196 1.00 45.33 C ATOM 393 C SER A 26 13.438 -0.763 -6.252 1.00 62.13 C ATOM 394 O SER A 26 13.298 -1.987 -6.261 1.00 10.22 O ATOM 395 CB SER A 26 13.483 0.160 -3.927 1.00 75.53 C ATOM 396 OG SER A 26 14.266 -0.054 -2.766 1.00 32.21 O ATOM 0 H SER A 26 14.532 2.004 -5.183 1.00 24.12 H new ATOM 0 HA SER A 26 15.140 -0.736 -4.959 1.00 45.33 H new ATOM 0 HB2 SER A 26 13.098 1.180 -3.927 1.00 75.53 H new ATOM 0 HB3 SER A 26 12.620 -0.506 -3.915 1.00 75.53 H new ATOM 0 HG SER A 26 13.720 0.108 -1.969 1.00 32.21 H new ATOM 402 N LEU A 27 12.860 0.037 -7.142 1.00 24.23 N ATOM 403 CA LEU A 27 12.009 -0.488 -8.204 1.00 30.25 C ATOM 404 C LEU A 27 12.769 -1.492 -9.065 1.00 1.40 C ATOM 405 O LEU A 27 12.225 -2.521 -9.462 1.00 72.42 O ATOM 406 CB LEU A 27 11.484 0.654 -9.075 1.00 14.23 C ATOM 407 CG LEU A 27 10.117 0.430 -9.722 1.00 54.42 C ATOM 408 CD1 LEU A 27 9.001 0.749 -8.738 1.00 64.44 C ATOM 409 CD2 LEU A 27 9.978 1.275 -10.980 1.00 54.23 C ATOM 0 H LEU A 27 12.965 1.052 -7.149 1.00 24.23 H new ATOM 0 HA LEU A 27 11.166 -1.000 -7.740 1.00 30.25 H new ATOM 0 HB2 LEU A 27 11.431 1.555 -8.464 1.00 14.23 H new ATOM 0 HB3 LEU A 27 12.211 0.846 -9.865 1.00 14.23 H new ATOM 0 HG LEU A 27 10.037 -0.620 -10.002 1.00 54.42 H new ATOM 0 HD11 LEU A 27 8.036 0.584 -9.217 1.00 64.44 H new ATOM 0 HD12 LEU A 27 9.089 0.102 -7.866 1.00 64.44 H new ATOM 0 HD13 LEU A 27 9.078 1.791 -8.426 1.00 64.44 H new ATOM 0 HD21 LEU A 27 8.999 1.103 -11.427 1.00 54.23 H new ATOM 0 HD22 LEU A 27 10.079 2.329 -10.723 1.00 54.23 H new ATOM 0 HD23 LEU A 27 10.756 0.999 -11.692 1.00 54.23 H new ATOM 421 N ALA A 28 14.031 -1.185 -9.348 1.00 53.41 N ATOM 422 CA ALA A 28 14.867 -2.061 -10.158 1.00 71.35 C ATOM 423 C ALA A 28 14.866 -3.484 -9.608 1.00 53.44 C ATOM 424 O ALA A 28 15.018 -4.450 -10.357 1.00 14.41 O ATOM 425 CB ALA A 28 16.288 -1.521 -10.226 1.00 54.15 C ATOM 0 H ALA A 28 14.496 -0.336 -9.028 1.00 53.41 H new ATOM 0 HA ALA A 28 14.452 -2.088 -11.165 1.00 71.35 H new ATOM 0 HB1 ALA A 28 16.901 -2.186 -10.834 1.00 54.15 H new ATOM 0 HB2 ALA A 28 16.278 -0.527 -10.672 1.00 54.15 H new ATOM 0 HB3 ALA A 28 16.704 -1.463 -9.220 1.00 54.15 H new ATOM 431 N HIS A 29 14.694 -3.605 -8.296 1.00 20.41 N ATOM 432 CA HIS A 29 14.673 -4.911 -7.645 1.00 43.25 C ATOM 433 C HIS A 29 13.456 -5.718 -8.087 1.00 24.42 C ATOM 434 O HIS A 29 13.591 -6.820 -8.621 1.00 14.43 O ATOM 435 CB HIS A 29 14.667 -4.747 -6.125 1.00 41.24 C ATOM 436 CG HIS A 29 15.852 -3.998 -5.599 1.00 5.21 C ATOM 437 ND1 HIS A 29 15.927 -3.517 -4.309 1.00 15.13 N ATOM 438 CD2 HIS A 29 17.016 -3.649 -6.196 1.00 61.31 C ATOM 439 CE1 HIS A 29 17.084 -2.903 -4.136 1.00 34.44 C ATOM 440 NE2 HIS A 29 17.764 -2.970 -5.266 1.00 33.01 N ATOM 0 H HIS A 29 14.567 -2.816 -7.663 1.00 20.41 H new ATOM 0 HA HIS A 29 15.572 -5.452 -7.940 1.00 43.25 H new ATOM 0 HB2 HIS A 29 13.757 -4.226 -5.828 1.00 41.24 H new ATOM 0 HB3 HIS A 29 14.636 -5.733 -5.662 1.00 41.24 H new ATOM 0 HD2 HIS A 29 17.303 -3.865 -7.215 1.00 61.31 H new ATOM 0 HE1 HIS A 29 17.417 -2.427 -3.225 1.00 34.44 H new ATOM 0 HE2 HIS A 29 18.694 -2.581 -5.423 1.00 33.01 H new ATOM 448 N ARG A 30 12.270 -5.164 -7.859 1.00 62.05 N ATOM 449 CA ARG A 30 11.030 -5.834 -8.232 1.00 11.22 C ATOM 450 C ARG A 30 10.894 -5.923 -9.749 1.00 44.10 C ATOM 451 O ARG A 30 10.231 -6.818 -10.271 1.00 44.12 O ATOM 452 CB ARG A 30 9.828 -5.091 -7.645 1.00 22.24 C ATOM 453 CG ARG A 30 9.704 -3.656 -8.128 1.00 55.33 C ATOM 454 CD ARG A 30 8.418 -3.011 -7.635 1.00 32.15 C ATOM 455 NE ARG A 30 7.234 -3.629 -8.225 1.00 33.41 N ATOM 456 CZ ARG A 30 6.796 -3.357 -9.449 1.00 75.20 C ATOM 457 NH1 ARG A 30 7.441 -2.482 -10.208 1.00 74.44 N ATOM 458 NH2 ARG A 30 5.710 -3.961 -9.916 1.00 42.00 N ATOM 0 H ARG A 30 12.141 -4.253 -7.418 1.00 62.05 H new ATOM 0 HA ARG A 30 11.058 -6.846 -7.827 1.00 11.22 H new ATOM 0 HB2 ARG A 30 8.917 -5.632 -7.901 1.00 22.24 H new ATOM 0 HB3 ARG A 30 9.905 -5.094 -6.558 1.00 22.24 H new ATOM 0 HG2 ARG A 30 10.559 -3.078 -7.778 1.00 55.33 H new ATOM 0 HG3 ARG A 30 9.729 -3.634 -9.218 1.00 55.33 H new ATOM 0 HD2 ARG A 30 8.366 -3.091 -6.549 1.00 32.15 H new ATOM 0 HD3 ARG A 30 8.430 -1.948 -7.876 1.00 32.15 H new ATOM 0 HE ARG A 30 6.715 -4.307 -7.667 1.00 33.41 H new ATOM 0 HH11 ARG A 30 8.276 -2.016 -9.852 1.00 74.44 H new ATOM 0 HH12 ARG A 30 7.103 -2.275 -11.148 1.00 74.44 H new ATOM 0 HH21 ARG A 30 5.211 -4.635 -9.335 1.00 42.00 H new ATOM 0 HH22 ARG A 30 5.374 -3.751 -10.856 1.00 42.00 H new ATOM 472 N ASN A 31 11.527 -4.988 -10.450 1.00 63.04 N ATOM 473 CA ASN A 31 11.477 -4.960 -11.908 1.00 35.43 C ATOM 474 C ASN A 31 12.430 -5.991 -12.505 1.00 33.21 C ATOM 475 O ASN A 31 12.270 -6.408 -13.651 1.00 43.13 O ATOM 476 CB ASN A 31 11.829 -3.564 -12.425 1.00 34.04 C ATOM 477 CG ASN A 31 11.429 -3.366 -13.874 1.00 71.31 C ATOM 478 OD1 ASN A 31 12.233 -3.567 -14.784 1.00 61.23 O ATOM 479 ND2 ASN A 31 10.181 -2.970 -14.095 1.00 33.24 N ATOM 0 H ASN A 31 12.080 -4.240 -10.033 1.00 63.04 H new ATOM 0 HA ASN A 31 10.462 -5.209 -12.216 1.00 35.43 H new ATOM 0 HB2 ASN A 31 11.332 -2.815 -11.808 1.00 34.04 H new ATOM 0 HB3 ASN A 31 12.902 -3.401 -12.322 1.00 34.04 H new ATOM 0 HD21 ASN A 31 9.855 -2.820 -15.050 1.00 33.24 H new ATOM 0 HD22 ASN A 31 9.548 -2.815 -13.310 1.00 33.24 H new ATOM 486 N ASN A 32 13.421 -6.398 -11.718 1.00 74.42 N ATOM 487 CA ASN A 32 14.400 -7.381 -12.169 1.00 12.31 C ATOM 488 C ASN A 32 15.209 -6.842 -13.345 1.00 21.13 C ATOM 489 O ASN A 32 15.598 -7.592 -14.240 1.00 24.20 O ATOM 490 CB ASN A 32 13.701 -8.682 -12.570 1.00 10.54 C ATOM 491 CG ASN A 32 12.609 -9.075 -11.594 1.00 30.52 C ATOM 492 OD1 ASN A 32 12.884 -9.427 -10.446 1.00 54.04 O ATOM 493 ND2 ASN A 32 11.362 -9.018 -12.047 1.00 60.51 N ATOM 0 H ASN A 32 13.567 -6.063 -10.766 1.00 74.42 H new ATOM 0 HA ASN A 32 15.082 -7.583 -11.343 1.00 12.31 H new ATOM 0 HB2 ASN A 32 13.272 -8.569 -13.565 1.00 10.54 H new ATOM 0 HB3 ASN A 32 14.437 -9.484 -12.630 1.00 10.54 H new ATOM 0 HD21 ASN A 32 10.585 -9.272 -11.436 1.00 60.51 H new ATOM 0 HD22 ASN A 32 11.181 -8.721 -13.006 1.00 60.51 H new ATOM 500 N VAL A 33 15.459 -5.537 -13.335 1.00 44.43 N ATOM 501 CA VAL A 33 16.224 -4.897 -14.399 1.00 72.04 C ATOM 502 C VAL A 33 17.646 -4.589 -13.945 1.00 41.43 C ATOM 503 O VAL A 33 17.893 -4.346 -12.764 1.00 33.43 O ATOM 504 CB VAL A 33 15.552 -3.593 -14.867 1.00 53.52 C ATOM 505 CG1 VAL A 33 15.556 -2.559 -13.751 1.00 30.42 C ATOM 506 CG2 VAL A 33 16.245 -3.051 -16.108 1.00 65.51 C ATOM 0 H VAL A 33 15.143 -4.902 -12.602 1.00 44.43 H new ATOM 0 HA VAL A 33 16.256 -5.599 -15.232 1.00 72.04 H new ATOM 0 HB VAL A 33 14.516 -3.812 -15.124 1.00 53.52 H new ATOM 0 HG11 VAL A 33 15.077 -1.644 -14.101 1.00 30.42 H new ATOM 0 HG12 VAL A 33 15.010 -2.949 -12.892 1.00 30.42 H new ATOM 0 HG13 VAL A 33 16.584 -2.342 -13.460 1.00 30.42 H new ATOM 0 HG21 VAL A 33 15.757 -2.129 -16.424 1.00 65.51 H new ATOM 0 HG22 VAL A 33 17.291 -2.848 -15.881 1.00 65.51 H new ATOM 0 HG23 VAL A 33 16.184 -3.787 -16.909 1.00 65.51 H new ATOM 516 N ASP A 34 18.578 -4.599 -14.891 1.00 45.35 N ATOM 517 CA ASP A 34 19.977 -4.318 -14.589 1.00 64.35 C ATOM 518 C ASP A 34 20.268 -2.825 -14.698 1.00 50.35 C ATOM 519 O ASP A 34 20.068 -2.218 -15.752 1.00 3.35 O ATOM 520 CB ASP A 34 20.892 -5.099 -15.535 1.00 12.20 C ATOM 521 CG ASP A 34 20.567 -6.579 -15.564 1.00 31.35 C ATOM 522 OD1 ASP A 34 19.848 -7.047 -14.656 1.00 14.13 O ATOM 523 OD2 ASP A 34 21.031 -7.270 -16.494 1.00 62.31 O ATOM 0 H ASP A 34 18.390 -4.799 -15.874 1.00 45.35 H new ATOM 0 HA ASP A 34 20.172 -4.634 -13.564 1.00 64.35 H new ATOM 0 HB2 ASP A 34 20.803 -4.691 -16.542 1.00 12.20 H new ATOM 0 HB3 ASP A 34 21.929 -4.964 -15.227 1.00 12.20 H new ATOM 528 N LEU A 35 20.739 -2.238 -13.604 1.00 43.40 N ATOM 529 CA LEU A 35 21.057 -0.814 -13.576 1.00 32.03 C ATOM 530 C LEU A 35 22.532 -0.591 -13.260 1.00 23.33 C ATOM 531 O LEU A 35 23.267 -1.539 -12.983 1.00 50.21 O ATOM 532 CB LEU A 35 20.188 -0.098 -12.540 1.00 70.20 C ATOM 533 CG LEU A 35 20.428 -0.484 -11.080 1.00 62.52 C ATOM 534 CD1 LEU A 35 19.979 0.633 -10.151 1.00 45.15 C ATOM 535 CD2 LEU A 35 19.705 -1.781 -10.746 1.00 2.04 C ATOM 0 H LEU A 35 20.909 -2.725 -12.724 1.00 43.40 H new ATOM 0 HA LEU A 35 20.850 -0.401 -14.563 1.00 32.03 H new ATOM 0 HB2 LEU A 35 20.347 0.976 -12.642 1.00 70.20 H new ATOM 0 HB3 LEU A 35 19.142 -0.290 -12.778 1.00 70.20 H new ATOM 0 HG LEU A 35 21.497 -0.639 -10.937 1.00 62.52 H new ATOM 0 HD11 LEU A 35 20.158 0.340 -9.117 1.00 45.15 H new ATOM 0 HD12 LEU A 35 20.542 1.540 -10.374 1.00 45.15 H new ATOM 0 HD13 LEU A 35 18.915 0.821 -10.296 1.00 45.15 H new ATOM 0 HD21 LEU A 35 19.887 -2.041 -9.703 1.00 2.04 H new ATOM 0 HD22 LEU A 35 18.635 -1.653 -10.907 1.00 2.04 H new ATOM 0 HD23 LEU A 35 20.075 -2.580 -11.389 1.00 2.04 H new ATOM 547 N GLU A 36 22.958 0.668 -13.301 1.00 73.51 N ATOM 548 CA GLU A 36 24.346 1.014 -13.018 1.00 35.23 C ATOM 549 C GLU A 36 24.684 0.750 -11.553 1.00 60.43 C ATOM 550 O GLU A 36 25.430 -0.175 -11.234 1.00 45.24 O ATOM 551 CB GLU A 36 24.607 2.483 -13.356 1.00 21.00 C ATOM 552 CG GLU A 36 26.069 2.883 -13.243 1.00 33.34 C ATOM 553 CD GLU A 36 26.921 2.300 -14.353 1.00 72.32 C ATOM 554 OE1 GLU A 36 27.052 2.956 -15.407 1.00 64.44 O ATOM 555 OE2 GLU A 36 27.456 1.187 -14.167 1.00 63.21 O ATOM 0 H GLU A 36 22.362 1.464 -13.527 1.00 73.51 H new ATOM 0 HA GLU A 36 24.985 0.386 -13.639 1.00 35.23 H new ATOM 0 HB2 GLU A 36 24.262 2.680 -14.371 1.00 21.00 H new ATOM 0 HB3 GLU A 36 24.015 3.111 -12.691 1.00 21.00 H new ATOM 0 HG2 GLU A 36 26.147 3.970 -13.263 1.00 33.34 H new ATOM 0 HG3 GLU A 36 26.459 2.553 -12.280 1.00 33.34 H new ATOM 562 N GLY A 37 24.129 1.570 -10.666 1.00 50.02 N ATOM 563 CA GLY A 37 24.384 1.410 -9.247 1.00 32.34 C ATOM 564 C GLY A 37 23.297 2.027 -8.389 1.00 72.31 C ATOM 565 O GLY A 37 22.477 2.803 -8.878 1.00 42.51 O ATOM 0 H GLY A 37 23.507 2.342 -10.905 1.00 50.02 H new ATOM 0 HA2 GLY A 37 24.468 0.349 -9.014 1.00 32.34 H new ATOM 0 HA3 GLY A 37 25.342 1.868 -8.999 1.00 32.34 H new ATOM 569 N ALA A 38 23.288 1.679 -7.106 1.00 44.04 N ATOM 570 CA ALA A 38 22.294 2.204 -6.179 1.00 40.31 C ATOM 571 C ALA A 38 22.949 2.697 -4.893 1.00 32.31 C ATOM 572 O ALA A 38 23.390 1.899 -4.065 1.00 35.33 O ATOM 573 CB ALA A 38 21.249 1.143 -5.869 1.00 20.23 C ATOM 0 H ALA A 38 23.958 1.035 -6.685 1.00 44.04 H new ATOM 0 HA ALA A 38 21.803 3.053 -6.654 1.00 40.31 H new ATOM 0 HB1 ALA A 38 20.513 1.549 -5.175 1.00 20.23 H new ATOM 0 HB2 ALA A 38 20.751 0.842 -6.791 1.00 20.23 H new ATOM 0 HB3 ALA A 38 21.733 0.276 -5.418 1.00 20.23 H new ATOM 579 N CYS A 39 23.010 4.014 -4.733 1.00 31.15 N ATOM 580 CA CYS A 39 23.613 4.613 -3.547 1.00 32.41 C ATOM 581 C CYS A 39 22.548 4.962 -2.513 1.00 14.50 C ATOM 582 O CYS A 39 21.609 5.703 -2.802 1.00 54.22 O ATOM 583 CB CYS A 39 24.402 5.866 -3.928 1.00 71.13 C ATOM 584 SG CYS A 39 25.366 6.573 -2.572 1.00 32.35 S ATOM 0 H CYS A 39 22.650 4.688 -5.409 1.00 31.15 H new ATOM 0 HA CYS A 39 24.294 3.884 -3.108 1.00 32.41 H new ATOM 0 HB2 CYS A 39 25.076 5.622 -4.750 1.00 71.13 H new ATOM 0 HB3 CYS A 39 23.708 6.621 -4.298 1.00 71.13 H new ATOM 0 HG CYS A 39 25.999 7.627 -2.993 1.00 32.35 H new ATOM 590 N GLU A 40 22.700 4.423 -1.308 1.00 24.04 N ATOM 591 CA GLU A 40 21.749 4.677 -0.232 1.00 24.23 C ATOM 592 C GLU A 40 22.422 4.543 1.132 1.00 73.34 C ATOM 593 O GLU A 40 23.498 3.959 1.250 1.00 3.33 O ATOM 594 CB GLU A 40 20.567 3.710 -0.327 1.00 65.21 C ATOM 595 CG GLU A 40 20.975 2.246 -0.309 1.00 5.21 C ATOM 596 CD GLU A 40 21.155 1.708 1.097 1.00 4.23 C ATOM 597 OE1 GLU A 40 20.187 1.765 1.883 1.00 32.43 O ATOM 598 OE2 GLU A 40 22.266 1.230 1.411 1.00 12.34 O ATOM 0 H GLU A 40 23.472 3.808 -1.052 1.00 24.04 H new ATOM 0 HA GLU A 40 21.383 5.698 -0.339 1.00 24.23 H new ATOM 0 HB2 GLU A 40 19.886 3.899 0.503 1.00 65.21 H new ATOM 0 HB3 GLU A 40 20.015 3.913 -1.245 1.00 65.21 H new ATOM 0 HG2 GLU A 40 20.219 1.655 -0.826 1.00 5.21 H new ATOM 0 HG3 GLU A 40 21.906 2.125 -0.862 1.00 5.21 H new ATOM 605 N GLY A 41 21.778 5.089 2.159 1.00 72.41 N ATOM 606 CA GLY A 41 22.328 5.020 3.500 1.00 12.21 C ATOM 607 C GLY A 41 22.076 6.286 4.295 1.00 30.02 C ATOM 608 O GLY A 41 22.992 6.835 4.907 1.00 41.41 O ATOM 0 H GLY A 41 20.886 5.578 2.086 1.00 72.41 H new ATOM 0 HA2 GLY A 41 21.891 4.171 4.026 1.00 12.21 H new ATOM 0 HA3 GLY A 41 23.401 4.839 3.441 1.00 12.21 H new ATOM 612 N SER A 42 20.831 6.751 4.286 1.00 51.12 N ATOM 613 CA SER A 42 20.462 7.964 5.007 1.00 23.41 C ATOM 614 C SER A 42 19.022 7.884 5.503 1.00 13.01 C ATOM 615 O SER A 42 18.134 7.409 4.794 1.00 53.54 O ATOM 616 CB SER A 42 20.637 9.190 4.109 1.00 25.21 C ATOM 617 OG SER A 42 21.747 9.032 3.241 1.00 13.24 O ATOM 0 H SER A 42 20.060 6.306 3.787 1.00 51.12 H new ATOM 0 HA SER A 42 21.121 8.058 5.870 1.00 23.41 H new ATOM 0 HB2 SER A 42 19.732 9.347 3.522 1.00 25.21 H new ATOM 0 HB3 SER A 42 20.776 10.079 4.725 1.00 25.21 H new ATOM 0 HG SER A 42 21.837 9.828 2.676 1.00 13.24 H new ATOM 623 N LEU A 43 18.797 8.352 6.726 1.00 23.41 N ATOM 624 CA LEU A 43 17.465 8.334 7.319 1.00 14.22 C ATOM 625 C LEU A 43 17.201 9.615 8.105 1.00 64.03 C ATOM 626 O LEU A 43 17.958 9.966 9.009 1.00 10.53 O ATOM 627 CB LEU A 43 17.308 7.119 8.235 1.00 4.33 C ATOM 628 CG LEU A 43 17.634 5.762 7.611 1.00 22.24 C ATOM 629 CD1 LEU A 43 18.126 4.790 8.673 1.00 13.44 C ATOM 630 CD2 LEU A 43 16.416 5.199 6.893 1.00 24.35 C ATOM 0 H LEU A 43 19.520 8.749 7.326 1.00 23.41 H new ATOM 0 HA LEU A 43 16.736 8.268 6.511 1.00 14.22 H new ATOM 0 HB2 LEU A 43 17.949 7.260 9.105 1.00 4.33 H new ATOM 0 HB3 LEU A 43 16.280 7.092 8.597 1.00 4.33 H new ATOM 0 HG LEU A 43 18.430 5.902 6.879 1.00 22.24 H new ATOM 0 HD11 LEU A 43 18.353 3.830 8.210 1.00 13.44 H new ATOM 0 HD12 LEU A 43 19.026 5.188 9.142 1.00 13.44 H new ATOM 0 HD13 LEU A 43 17.352 4.655 9.429 1.00 13.44 H new ATOM 0 HD21 LEU A 43 16.666 4.233 6.455 1.00 24.35 H new ATOM 0 HD22 LEU A 43 15.600 5.074 7.604 1.00 24.35 H new ATOM 0 HD23 LEU A 43 16.108 5.886 6.105 1.00 24.35 H new ATOM 642 N ALA A 44 16.123 10.307 7.754 1.00 55.23 N ATOM 643 CA ALA A 44 15.757 11.546 8.429 1.00 40.44 C ATOM 644 C ALA A 44 14.245 11.657 8.592 1.00 10.11 C ATOM 645 O ALA A 44 13.487 10.932 7.947 1.00 34.10 O ATOM 646 CB ALA A 44 16.296 12.744 7.661 1.00 51.33 C ATOM 0 H ALA A 44 15.487 10.031 7.006 1.00 55.23 H new ATOM 0 HA ALA A 44 16.203 11.534 9.423 1.00 40.44 H new ATOM 0 HB1 ALA A 44 16.015 13.663 8.176 1.00 51.33 H new ATOM 0 HB2 ALA A 44 17.382 12.679 7.601 1.00 51.33 H new ATOM 0 HB3 ALA A 44 15.877 12.750 6.655 1.00 51.33 H new ATOM 652 N CYS A 45 13.813 12.567 9.458 1.00 45.20 N ATOM 653 CA CYS A 45 12.391 12.771 9.707 1.00 11.52 C ATOM 654 C CYS A 45 11.945 14.146 9.219 1.00 22.00 C ATOM 655 O CYS A 45 12.770 15.025 8.971 1.00 1.31 O ATOM 656 CB CYS A 45 12.087 12.623 11.199 1.00 52.33 C ATOM 657 SG CYS A 45 10.426 12.004 11.556 1.00 51.24 S ATOM 0 H CYS A 45 14.427 13.175 9.999 1.00 45.20 H new ATOM 0 HA CYS A 45 11.838 12.012 9.154 1.00 11.52 H new ATOM 0 HB2 CYS A 45 12.818 11.947 11.643 1.00 52.33 H new ATOM 0 HB3 CYS A 45 12.214 13.592 11.683 1.00 52.33 H new ATOM 0 HG CYS A 45 10.265 11.911 12.843 1.00 51.24 H new ATOM 663 N SER A 46 10.635 14.323 9.082 1.00 40.34 N ATOM 664 CA SER A 46 10.080 15.589 8.617 1.00 15.15 C ATOM 665 C SER A 46 8.562 15.605 8.772 1.00 53.34 C ATOM 666 O SER A 46 7.951 14.600 9.136 1.00 64.40 O ATOM 667 CB SER A 46 10.458 15.830 7.155 1.00 54.52 C ATOM 668 OG SER A 46 10.140 14.706 6.354 1.00 73.34 O ATOM 0 H SER A 46 9.938 13.606 9.286 1.00 40.34 H new ATOM 0 HA SER A 46 10.499 16.388 9.229 1.00 15.15 H new ATOM 0 HB2 SER A 46 9.932 16.708 6.780 1.00 54.52 H new ATOM 0 HB3 SER A 46 11.525 16.042 7.082 1.00 54.52 H new ATOM 0 HG SER A 46 10.052 14.985 5.419 1.00 73.34 H new ATOM 674 N THR A 47 7.957 16.756 8.491 1.00 31.44 N ATOM 675 CA THR A 47 6.511 16.905 8.599 1.00 2.24 C ATOM 676 C THR A 47 5.849 16.851 7.228 1.00 72.44 C ATOM 677 O THR A 47 4.692 16.446 7.102 1.00 64.31 O ATOM 678 CB THR A 47 6.133 18.231 9.287 1.00 64.20 C ATOM 679 OG1 THR A 47 4.724 18.270 9.535 1.00 33.40 O ATOM 680 CG2 THR A 47 6.535 19.420 8.427 1.00 22.15 C ATOM 0 H THR A 47 8.446 17.598 8.187 1.00 31.44 H new ATOM 0 HA THR A 47 6.152 16.074 9.206 1.00 2.24 H new ATOM 0 HB THR A 47 6.669 18.289 10.234 1.00 64.20 H new ATOM 0 HG1 THR A 47 4.492 19.115 9.974 1.00 33.40 H new ATOM 0 HG21 THR A 47 6.258 20.345 8.933 1.00 22.15 H new ATOM 0 HG22 THR A 47 7.613 19.404 8.264 1.00 22.15 H new ATOM 0 HG23 THR A 47 6.022 19.364 7.467 1.00 22.15 H new ATOM 688 N CYS A 48 6.588 17.259 6.202 1.00 12.54 N ATOM 689 CA CYS A 48 6.071 17.257 4.838 1.00 21.03 C ATOM 690 C CYS A 48 6.851 16.281 3.963 1.00 0.13 C ATOM 691 O CYS A 48 7.321 16.639 2.883 1.00 64.01 O ATOM 692 CB CYS A 48 6.141 18.664 4.242 1.00 72.51 C ATOM 693 SG CYS A 48 4.940 18.967 2.925 1.00 15.31 S ATOM 0 H CYS A 48 7.547 17.595 6.289 1.00 12.54 H new ATOM 0 HA CYS A 48 5.030 16.936 4.870 1.00 21.03 H new ATOM 0 HB2 CYS A 48 5.984 19.392 5.037 1.00 72.51 H new ATOM 0 HB3 CYS A 48 7.144 18.832 3.850 1.00 72.51 H new ATOM 0 HG CYS A 48 4.612 20.225 2.918 1.00 15.31 H new ATOM 699 N HIS A 49 6.986 15.047 4.438 1.00 61.23 N ATOM 700 CA HIS A 49 7.711 14.019 3.699 1.00 75.31 C ATOM 701 C HIS A 49 6.848 13.446 2.578 1.00 44.11 C ATOM 702 O HIS A 49 6.357 12.321 2.671 1.00 4.03 O ATOM 703 CB HIS A 49 8.152 12.899 4.642 1.00 72.25 C ATOM 704 CG HIS A 49 9.356 12.150 4.160 1.00 71.25 C ATOM 705 ND1 HIS A 49 10.643 12.469 4.539 1.00 54.31 N ATOM 706 CD2 HIS A 49 9.464 11.089 3.325 1.00 14.52 C ATOM 707 CE1 HIS A 49 11.490 11.639 3.957 1.00 33.04 C ATOM 708 NE2 HIS A 49 10.800 10.791 3.216 1.00 54.43 N ATOM 0 H HIS A 49 6.603 14.735 5.330 1.00 61.23 H new ATOM 0 HA HIS A 49 8.594 14.479 3.255 1.00 75.31 H new ATOM 0 HB2 HIS A 49 8.367 13.324 5.622 1.00 72.25 H new ATOM 0 HB3 HIS A 49 7.327 12.199 4.772 1.00 72.25 H new ATOM 0 HD1 HIS A 49 10.901 13.228 5.170 1.00 54.31 H new ATOM 0 HD2 HIS A 49 8.651 10.573 2.836 1.00 14.52 H new ATOM 0 HE1 HIS A 49 12.564 11.652 4.068 1.00 33.04 H new ATOM 716 N VAL A 50 6.668 14.228 1.518 1.00 13.23 N ATOM 717 CA VAL A 50 5.865 13.799 0.379 1.00 22.02 C ATOM 718 C VAL A 50 6.476 14.275 -0.934 1.00 23.10 C ATOM 719 O VAL A 50 7.319 15.172 -0.949 1.00 4.24 O ATOM 720 CB VAL A 50 4.421 14.324 0.481 1.00 72.14 C ATOM 721 CG1 VAL A 50 3.653 13.570 1.556 1.00 52.42 C ATOM 722 CG2 VAL A 50 4.416 15.819 0.760 1.00 42.45 C ATOM 0 H VAL A 50 7.067 15.162 1.424 1.00 13.23 H new ATOM 0 HA VAL A 50 5.849 12.709 0.395 1.00 22.02 H new ATOM 0 HB VAL A 50 3.923 14.154 -0.474 1.00 72.14 H new ATOM 0 HG11 VAL A 50 2.635 13.955 1.613 1.00 52.42 H new ATOM 0 HG12 VAL A 50 3.626 12.509 1.308 1.00 52.42 H new ATOM 0 HG13 VAL A 50 4.147 13.705 2.518 1.00 52.42 H new ATOM 0 HG21 VAL A 50 3.387 16.173 0.829 1.00 42.45 H new ATOM 0 HG22 VAL A 50 4.931 16.015 1.700 1.00 42.45 H new ATOM 0 HG23 VAL A 50 4.926 16.342 -0.049 1.00 42.45 H new ATOM 732 N ILE A 51 6.045 13.668 -2.035 1.00 2.32 N ATOM 733 CA ILE A 51 6.549 14.031 -3.354 1.00 12.55 C ATOM 734 C ILE A 51 5.410 14.166 -4.359 1.00 2.42 C ATOM 735 O ILE A 51 4.782 13.177 -4.737 1.00 22.11 O ATOM 736 CB ILE A 51 7.559 12.993 -3.876 1.00 4.23 C ATOM 737 CG1 ILE A 51 7.748 13.148 -5.386 1.00 72.43 C ATOM 738 CG2 ILE A 51 7.095 11.585 -3.536 1.00 24.24 C ATOM 739 CD1 ILE A 51 8.882 12.316 -5.942 1.00 24.41 C ATOM 0 H ILE A 51 5.348 12.923 -2.040 1.00 2.32 H new ATOM 0 HA ILE A 51 7.052 14.992 -3.246 1.00 12.55 H new ATOM 0 HB ILE A 51 8.519 13.165 -3.389 1.00 4.23 H new ATOM 0 HG12 ILE A 51 6.823 12.869 -5.890 1.00 72.43 H new ATOM 0 HG13 ILE A 51 7.932 14.198 -5.615 1.00 72.43 H new ATOM 0 HG21 ILE A 51 7.820 10.862 -3.912 1.00 24.24 H new ATOM 0 HG22 ILE A 51 7.007 11.482 -2.454 1.00 24.24 H new ATOM 0 HG23 ILE A 51 6.125 11.400 -3.998 1.00 24.24 H new ATOM 0 HD11 ILE A 51 8.957 12.476 -7.018 1.00 24.41 H new ATOM 0 HD12 ILE A 51 9.817 12.610 -5.465 1.00 24.41 H new ATOM 0 HD13 ILE A 51 8.690 11.261 -5.745 1.00 24.41 H new ATOM 751 N ILE A 52 5.151 15.396 -4.789 1.00 51.41 N ATOM 752 CA ILE A 52 4.090 15.660 -5.753 1.00 52.21 C ATOM 753 C ILE A 52 4.595 16.524 -6.904 1.00 13.45 C ATOM 754 O ILE A 52 5.627 17.186 -6.790 1.00 70.31 O ATOM 755 CB ILE A 52 2.888 16.359 -5.090 1.00 72.43 C ATOM 756 CG1 ILE A 52 3.363 17.282 -3.966 1.00 73.23 C ATOM 757 CG2 ILE A 52 1.905 15.328 -4.556 1.00 74.34 C ATOM 758 CD1 ILE A 52 4.321 18.356 -4.431 1.00 24.31 C ATOM 0 H ILE A 52 5.661 16.225 -4.485 1.00 51.41 H new ATOM 0 HA ILE A 52 3.769 14.693 -6.141 1.00 52.21 H new ATOM 0 HB ILE A 52 2.379 16.964 -5.840 1.00 72.43 H new ATOM 0 HG12 ILE A 52 2.496 17.755 -3.504 1.00 73.23 H new ATOM 0 HG13 ILE A 52 3.848 16.683 -3.195 1.00 73.23 H new ATOM 0 HG21 ILE A 52 1.061 15.837 -4.090 1.00 74.34 H new ATOM 0 HG22 ILE A 52 1.546 14.708 -5.377 1.00 74.34 H new ATOM 0 HG23 ILE A 52 2.402 14.700 -3.817 1.00 74.34 H new ATOM 0 HD11 ILE A 52 4.616 18.973 -3.582 1.00 24.31 H new ATOM 0 HD12 ILE A 52 5.205 17.891 -4.866 1.00 24.31 H new ATOM 0 HD13 ILE A 52 3.833 18.979 -5.180 1.00 24.31 H new ATOM 770 N ASP A 53 3.859 16.516 -8.010 1.00 22.53 N ATOM 771 CA ASP A 53 4.230 17.301 -9.181 1.00 3.10 C ATOM 772 C ASP A 53 4.506 18.752 -8.797 1.00 72.44 C ATOM 773 O ASP A 53 4.096 19.228 -7.739 1.00 21.04 O ATOM 774 CB ASP A 53 3.123 17.240 -10.234 1.00 13.50 C ATOM 775 CG ASP A 53 1.739 17.196 -9.617 1.00 32.03 C ATOM 776 OD1 ASP A 53 1.528 17.865 -8.583 1.00 71.11 O ATOM 777 OD2 ASP A 53 0.866 16.493 -10.168 1.00 23.15 O ATOM 0 H ASP A 53 3.002 15.974 -8.120 1.00 22.53 H new ATOM 0 HA ASP A 53 5.142 16.875 -9.600 1.00 3.10 H new ATOM 0 HB2 ASP A 53 3.199 18.109 -10.887 1.00 13.50 H new ATOM 0 HB3 ASP A 53 3.268 16.358 -10.858 1.00 13.50 H new ATOM 782 N PRO A 54 5.218 19.472 -9.677 1.00 75.21 N ATOM 783 CA PRO A 54 5.564 20.878 -9.452 1.00 43.23 C ATOM 784 C PRO A 54 4.349 21.795 -9.536 1.00 0.41 C ATOM 785 O PRO A 54 4.392 22.941 -9.087 1.00 33.45 O ATOM 786 CB PRO A 54 6.546 21.187 -10.585 1.00 62.12 C ATOM 787 CG PRO A 54 6.201 20.215 -11.661 1.00 4.53 C ATOM 788 CD PRO A 54 5.738 18.969 -10.959 1.00 61.44 C ATOM 0 HA PRO A 54 5.975 21.042 -8.456 1.00 43.23 H new ATOM 0 HB2 PRO A 54 6.440 22.215 -10.931 1.00 62.12 H new ATOM 0 HB3 PRO A 54 7.579 21.066 -10.258 1.00 62.12 H new ATOM 0 HG2 PRO A 54 5.419 20.611 -12.309 1.00 4.53 H new ATOM 0 HG3 PRO A 54 7.065 20.009 -12.293 1.00 4.53 H new ATOM 0 HD2 PRO A 54 4.968 18.450 -11.529 1.00 61.44 H new ATOM 0 HD3 PRO A 54 6.556 18.263 -10.812 1.00 61.44 H new ATOM 796 N SER A 55 3.266 21.284 -10.113 1.00 43.55 N ATOM 797 CA SER A 55 2.040 22.059 -10.259 1.00 13.52 C ATOM 798 C SER A 55 1.311 22.178 -8.924 1.00 11.52 C ATOM 799 O SER A 55 0.539 23.112 -8.707 1.00 54.21 O ATOM 800 CB SER A 55 1.122 21.412 -11.298 1.00 22.33 C ATOM 801 OG SER A 55 0.122 22.318 -11.731 1.00 24.23 O ATOM 0 H SER A 55 3.213 20.336 -10.487 1.00 43.55 H new ATOM 0 HA SER A 55 2.310 23.059 -10.597 1.00 13.52 H new ATOM 0 HB2 SER A 55 1.712 21.081 -12.153 1.00 22.33 H new ATOM 0 HB3 SER A 55 0.653 20.525 -10.872 1.00 22.33 H new ATOM 0 HG SER A 55 -0.450 21.881 -12.396 1.00 24.23 H new ATOM 807 N TRP A 56 1.562 21.226 -8.033 1.00 44.11 N ATOM 808 CA TRP A 56 0.931 21.223 -6.719 1.00 14.15 C ATOM 809 C TRP A 56 1.915 21.662 -5.640 1.00 62.13 C ATOM 810 O TRP A 56 1.515 22.110 -4.566 1.00 35.34 O ATOM 811 CB TRP A 56 0.387 19.831 -6.394 1.00 62.42 C ATOM 812 CG TRP A 56 -0.858 19.487 -7.155 1.00 24.30 C ATOM 813 CD1 TRP A 56 -1.148 19.823 -8.446 1.00 53.51 C ATOM 814 CD2 TRP A 56 -1.979 18.741 -6.670 1.00 75.24 C ATOM 815 NE1 TRP A 56 -2.384 19.332 -8.793 1.00 64.24 N ATOM 816 CE2 TRP A 56 -2.914 18.663 -7.722 1.00 4.11 C ATOM 817 CE3 TRP A 56 -2.285 18.129 -5.452 1.00 10.34 C ATOM 818 CZ2 TRP A 56 -4.130 18.000 -7.589 1.00 34.34 C ATOM 819 CZ3 TRP A 56 -3.493 17.472 -5.321 1.00 33.42 C ATOM 820 CH2 TRP A 56 -4.404 17.410 -6.384 1.00 44.23 C ATOM 0 H TRP A 56 2.198 20.446 -8.197 1.00 44.11 H new ATOM 0 HA TRP A 56 0.104 21.933 -6.740 1.00 14.15 H new ATOM 0 HB2 TRP A 56 1.155 19.089 -6.613 1.00 62.42 H new ATOM 0 HB3 TRP A 56 0.180 19.770 -5.326 1.00 62.42 H new ATOM 0 HD1 TRP A 56 -0.501 20.391 -9.099 1.00 53.51 H new ATOM 0 HE1 TRP A 56 -2.834 19.447 -9.701 1.00 64.24 H new ATOM 0 HE3 TRP A 56 -1.589 18.169 -4.627 1.00 10.34 H new ATOM 0 HZ2 TRP A 56 -4.833 17.952 -8.407 1.00 34.34 H new ATOM 0 HZ3 TRP A 56 -3.740 16.998 -4.383 1.00 33.42 H new ATOM 0 HH2 TRP A 56 -5.340 16.887 -6.250 1.00 44.23 H new ATOM 831 N TYR A 57 3.204 21.531 -5.934 1.00 21.13 N ATOM 832 CA TYR A 57 4.246 21.912 -4.987 1.00 51.35 C ATOM 833 C TYR A 57 4.038 23.341 -4.495 1.00 44.44 C ATOM 834 O TYR A 57 4.009 23.597 -3.292 1.00 5.35 O ATOM 835 CB TYR A 57 5.625 21.779 -5.635 1.00 4.13 C ATOM 836 CG TYR A 57 6.751 22.307 -4.774 1.00 63.34 C ATOM 837 CD1 TYR A 57 7.091 21.683 -3.580 1.00 73.13 C ATOM 838 CD2 TYR A 57 7.476 23.429 -5.156 1.00 65.35 C ATOM 839 CE1 TYR A 57 8.118 22.162 -2.791 1.00 1.11 C ATOM 840 CE2 TYR A 57 8.506 23.914 -4.374 1.00 45.11 C ATOM 841 CZ TYR A 57 8.823 23.278 -3.192 1.00 61.31 C ATOM 842 OH TYR A 57 9.848 23.757 -2.409 1.00 42.33 O ATOM 0 H TYR A 57 3.552 21.164 -6.820 1.00 21.13 H new ATOM 0 HA TYR A 57 4.188 21.240 -4.131 1.00 51.35 H new ATOM 0 HB2 TYR A 57 5.812 20.729 -5.860 1.00 4.13 H new ATOM 0 HB3 TYR A 57 5.624 22.313 -6.585 1.00 4.13 H new ATOM 0 HD1 TYR A 57 6.542 20.808 -3.264 1.00 73.13 H new ATOM 0 HD2 TYR A 57 7.230 23.931 -6.080 1.00 65.35 H new ATOM 0 HE1 TYR A 57 8.368 21.666 -1.865 1.00 1.11 H new ATOM 0 HE2 TYR A 57 9.060 24.787 -4.686 1.00 45.11 H new ATOM 0 HH TYR A 57 9.530 24.521 -1.885 1.00 42.33 H new ATOM 852 N ASP A 58 3.894 24.269 -5.436 1.00 32.52 N ATOM 853 CA ASP A 58 3.687 25.672 -5.100 1.00 0.51 C ATOM 854 C ASP A 58 2.410 25.854 -4.286 1.00 32.04 C ATOM 855 O ASP A 58 2.302 26.779 -3.481 1.00 12.44 O ATOM 856 CB ASP A 58 3.620 26.519 -6.372 1.00 62.21 C ATOM 857 CG ASP A 58 3.642 28.006 -6.080 1.00 3.22 C ATOM 858 OD1 ASP A 58 2.557 28.584 -5.863 1.00 51.11 O ATOM 859 OD2 ASP A 58 4.745 28.593 -6.069 1.00 21.35 O ATOM 0 H ASP A 58 3.917 24.074 -6.437 1.00 32.52 H new ATOM 0 HA ASP A 58 4.532 26.003 -4.496 1.00 0.51 H new ATOM 0 HB2 ASP A 58 4.461 26.266 -7.018 1.00 62.21 H new ATOM 0 HB3 ASP A 58 2.711 26.273 -6.921 1.00 62.21 H new ATOM 864 N ILE A 59 1.445 24.966 -4.502 1.00 24.14 N ATOM 865 CA ILE A 59 0.176 25.029 -3.788 1.00 21.52 C ATOM 866 C ILE A 59 0.337 24.579 -2.340 1.00 30.24 C ATOM 867 O ILE A 59 -0.085 25.271 -1.413 1.00 24.22 O ATOM 868 CB ILE A 59 -0.896 24.157 -4.468 1.00 70.11 C ATOM 869 CG1 ILE A 59 -1.128 24.625 -5.906 1.00 14.40 C ATOM 870 CG2 ILE A 59 -2.194 24.199 -3.675 1.00 61.44 C ATOM 871 CD1 ILE A 59 -1.916 23.641 -6.742 1.00 42.24 C ATOM 0 H ILE A 59 1.518 24.195 -5.166 1.00 24.14 H new ATOM 0 HA ILE A 59 -0.147 26.070 -3.809 1.00 21.52 H new ATOM 0 HB ILE A 59 -0.542 23.126 -4.494 1.00 70.11 H new ATOM 0 HG12 ILE A 59 -1.656 25.579 -5.888 1.00 14.40 H new ATOM 0 HG13 ILE A 59 -0.164 24.803 -6.382 1.00 14.40 H new ATOM 0 HG21 ILE A 59 -2.942 23.578 -4.168 1.00 61.44 H new ATOM 0 HG22 ILE A 59 -2.017 23.823 -2.667 1.00 61.44 H new ATOM 0 HG23 ILE A 59 -2.554 25.226 -3.621 1.00 61.44 H new ATOM 0 HD11 ILE A 59 -2.042 24.038 -7.749 1.00 42.24 H new ATOM 0 HD12 ILE A 59 -1.380 22.693 -6.790 1.00 42.24 H new ATOM 0 HD13 ILE A 59 -2.895 23.481 -6.290 1.00 42.24 H new ATOM 883 N VAL A 60 0.952 23.415 -2.152 1.00 13.32 N ATOM 884 CA VAL A 60 1.172 22.874 -0.816 1.00 73.31 C ATOM 885 C VAL A 60 2.138 23.746 -0.022 1.00 33.42 C ATOM 886 O VAL A 60 2.124 23.741 1.209 1.00 41.45 O ATOM 887 CB VAL A 60 1.725 21.438 -0.877 1.00 30.52 C ATOM 888 CG1 VAL A 60 0.692 20.492 -1.470 1.00 33.34 C ATOM 889 CG2 VAL A 60 3.017 21.398 -1.678 1.00 44.42 C ATOM 0 H VAL A 60 1.306 22.829 -2.908 1.00 13.32 H new ATOM 0 HA VAL A 60 0.204 22.862 -0.316 1.00 73.31 H new ATOM 0 HB VAL A 60 1.943 21.109 0.139 1.00 30.52 H new ATOM 0 HG11 VAL A 60 1.101 19.482 -1.505 1.00 33.34 H new ATOM 0 HG12 VAL A 60 -0.205 20.499 -0.851 1.00 33.34 H new ATOM 0 HG13 VAL A 60 0.439 20.816 -2.479 1.00 33.34 H new ATOM 0 HG21 VAL A 60 3.393 20.376 -1.711 1.00 44.42 H new ATOM 0 HG22 VAL A 60 2.827 21.747 -2.693 1.00 44.42 H new ATOM 0 HG23 VAL A 60 3.758 22.043 -1.205 1.00 44.42 H new ATOM 899 N GLU A 61 2.975 24.493 -0.735 1.00 32.23 N ATOM 900 CA GLU A 61 3.948 25.370 -0.095 1.00 43.12 C ATOM 901 C GLU A 61 3.283 26.650 0.403 1.00 32.32 C ATOM 902 O GLU A 61 3.690 27.218 1.416 1.00 54.42 O ATOM 903 CB GLU A 61 5.075 25.715 -1.071 1.00 4.12 C ATOM 904 CG GLU A 61 6.018 26.790 -0.556 1.00 64.50 C ATOM 905 CD GLU A 61 7.326 26.834 -1.322 1.00 24.50 C ATOM 906 OE1 GLU A 61 8.020 25.796 -1.371 1.00 32.23 O ATOM 907 OE2 GLU A 61 7.657 27.905 -1.872 1.00 73.41 O ATOM 0 H GLU A 61 2.999 24.508 -1.755 1.00 32.23 H new ATOM 0 HA GLU A 61 4.367 24.842 0.762 1.00 43.12 H new ATOM 0 HB2 GLU A 61 5.648 24.813 -1.285 1.00 4.12 H new ATOM 0 HB3 GLU A 61 4.639 26.047 -2.013 1.00 4.12 H new ATOM 0 HG2 GLU A 61 5.528 27.761 -0.625 1.00 64.50 H new ATOM 0 HG3 GLU A 61 6.225 26.611 0.499 1.00 64.50 H new ATOM 914 N GLN A 62 2.258 27.096 -0.316 1.00 62.34 N ATOM 915 CA GLN A 62 1.537 28.308 0.052 1.00 42.41 C ATOM 916 C GLN A 62 0.388 27.991 1.003 1.00 23.03 C ATOM 917 O GLN A 62 0.004 28.821 1.828 1.00 22.10 O ATOM 918 CB GLN A 62 1.001 29.008 -1.198 1.00 62.15 C ATOM 919 CG GLN A 62 -0.113 28.242 -1.894 1.00 22.04 C ATOM 920 CD GLN A 62 -0.777 29.047 -2.993 1.00 1.30 C ATOM 921 OE1 GLN A 62 -1.731 29.786 -2.748 1.00 34.45 O ATOM 922 NE2 GLN A 62 -0.274 28.910 -4.214 1.00 72.43 N ATOM 0 H GLN A 62 1.908 26.636 -1.157 1.00 62.34 H new ATOM 0 HA GLN A 62 2.234 28.973 0.562 1.00 42.41 H new ATOM 0 HB2 GLN A 62 0.633 29.996 -0.921 1.00 62.15 H new ATOM 0 HB3 GLN A 62 1.821 29.158 -1.900 1.00 62.15 H new ATOM 0 HG2 GLN A 62 0.293 27.323 -2.317 1.00 22.04 H new ATOM 0 HG3 GLN A 62 -0.863 27.951 -1.159 1.00 22.04 H new ATOM 0 HE21 GLN A 62 0.518 28.287 -4.372 1.00 72.43 H new ATOM 0 HE22 GLN A 62 -0.679 29.428 -4.994 1.00 72.43 H new ATOM 931 N HIS A 63 -0.157 26.785 0.883 1.00 31.31 N ATOM 932 CA HIS A 63 -1.263 26.357 1.733 1.00 3.41 C ATOM 933 C HIS A 63 -0.773 26.042 3.143 1.00 33.43 C ATOM 934 O HIS A 63 -1.533 26.126 4.107 1.00 4.04 O ATOM 935 CB HIS A 63 -1.951 25.131 1.133 1.00 63.01 C ATOM 936 CG HIS A 63 -3.076 25.470 0.204 1.00 64.11 C ATOM 937 ND1 HIS A 63 -2.886 26.096 -1.010 1.00 14.21 N ATOM 938 CD2 HIS A 63 -4.409 25.265 0.316 1.00 62.40 C ATOM 939 CE1 HIS A 63 -4.055 26.263 -1.603 1.00 43.15 C ATOM 940 NE2 HIS A 63 -4.995 25.767 -0.820 1.00 21.51 N ATOM 0 H HIS A 63 0.149 26.086 0.206 1.00 31.31 H new ATOM 0 HA HIS A 63 -1.982 27.174 1.791 1.00 3.41 H new ATOM 0 HB2 HIS A 63 -1.212 24.537 0.594 1.00 63.01 H new ATOM 0 HB3 HIS A 63 -2.333 24.507 1.941 1.00 63.01 H new ATOM 0 HD2 HIS A 63 -4.917 24.794 1.145 1.00 62.40 H new ATOM 0 HE1 HIS A 63 -4.214 26.727 -2.565 1.00 43.15 H new ATOM 0 HE2 HIS A 63 -5.994 25.758 -1.025 1.00 21.51 H new ATOM 948 N ASN A 64 0.500 25.677 3.255 1.00 71.12 N ATOM 949 CA ASN A 64 1.090 25.347 4.547 1.00 2.10 C ATOM 950 C ASN A 64 2.196 26.334 4.908 1.00 42.13 C ATOM 951 O ASN A 64 3.157 26.506 4.158 1.00 75.22 O ATOM 952 CB ASN A 64 1.649 23.923 4.527 1.00 33.24 C ATOM 953 CG ASN A 64 0.613 22.890 4.927 1.00 74.14 C ATOM 954 OD1 ASN A 64 -0.243 23.148 5.773 1.00 31.12 O ATOM 955 ND2 ASN A 64 0.686 21.712 4.317 1.00 52.51 N ATOM 0 H ASN A 64 1.143 25.602 2.467 1.00 71.12 H new ATOM 0 HA ASN A 64 0.308 25.413 5.303 1.00 2.10 H new ATOM 0 HB2 ASN A 64 2.019 23.695 3.527 1.00 33.24 H new ATOM 0 HB3 ASN A 64 2.501 23.860 5.204 1.00 33.24 H new ATOM 0 HD21 ASN A 64 0.015 20.978 4.544 1.00 52.51 H new ATOM 0 HD22 ASN A 64 1.413 21.542 3.622 1.00 52.51 H new ATOM 962 N GLU A 65 2.053 26.979 6.061 1.00 2.41 N ATOM 963 CA GLU A 65 3.040 27.949 6.521 1.00 44.24 C ATOM 964 C GLU A 65 4.384 27.275 6.782 1.00 44.42 C ATOM 965 O GLU A 65 4.454 26.063 6.984 1.00 73.43 O ATOM 966 CB GLU A 65 2.551 28.645 7.792 1.00 12.23 C ATOM 967 CG GLU A 65 2.236 27.686 8.928 1.00 12.41 C ATOM 968 CD GLU A 65 1.154 28.211 9.852 1.00 52.43 C ATOM 969 OE1 GLU A 65 0.252 28.925 9.363 1.00 24.42 O ATOM 970 OE2 GLU A 65 1.208 27.910 11.062 1.00 24.22 O ATOM 0 H GLU A 65 1.264 26.848 6.694 1.00 2.41 H new ATOM 0 HA GLU A 65 3.172 28.694 5.736 1.00 44.24 H new ATOM 0 HB2 GLU A 65 3.311 29.352 8.125 1.00 12.23 H new ATOM 0 HB3 GLU A 65 1.658 29.224 7.558 1.00 12.23 H new ATOM 0 HG2 GLU A 65 1.921 26.728 8.513 1.00 12.41 H new ATOM 0 HG3 GLU A 65 3.143 27.501 9.504 1.00 12.41 H new ATOM 977 N ILE A 66 5.449 28.070 6.776 1.00 41.34 N ATOM 978 CA ILE A 66 6.791 27.551 7.012 1.00 14.41 C ATOM 979 C ILE A 66 7.465 28.278 8.171 1.00 52.43 C ATOM 980 O ILE A 66 7.321 29.491 8.324 1.00 12.20 O ATOM 981 CB ILE A 66 7.673 27.680 5.757 1.00 44.23 C ATOM 982 CG1 ILE A 66 7.219 28.868 4.906 1.00 14.14 C ATOM 983 CG2 ILE A 66 7.631 26.394 4.945 1.00 21.14 C ATOM 984 CD1 ILE A 66 7.404 30.205 5.588 1.00 11.54 C ATOM 0 H ILE A 66 5.409 29.076 6.610 1.00 41.34 H new ATOM 0 HA ILE A 66 6.682 26.496 7.262 1.00 14.41 H new ATOM 0 HB ILE A 66 8.702 27.855 6.072 1.00 44.23 H new ATOM 0 HG12 ILE A 66 7.776 28.867 3.969 1.00 14.14 H new ATOM 0 HG13 ILE A 66 6.167 28.741 4.652 1.00 14.14 H new ATOM 0 HG21 ILE A 66 8.260 26.501 4.061 1.00 21.14 H new ATOM 0 HG22 ILE A 66 7.998 25.567 5.553 1.00 21.14 H new ATOM 0 HG23 ILE A 66 6.605 26.191 4.638 1.00 21.14 H new ATOM 0 HD11 ILE A 66 7.061 31.001 4.927 1.00 11.54 H new ATOM 0 HD12 ILE A 66 6.825 30.226 6.511 1.00 11.54 H new ATOM 0 HD13 ILE A 66 8.459 30.353 5.818 1.00 11.54 H new ATOM 996 N SER A 67 8.203 27.529 8.983 1.00 33.33 N ATOM 997 CA SER A 67 8.898 28.101 10.130 1.00 44.11 C ATOM 998 C SER A 67 10.161 28.835 9.688 1.00 21.24 C ATOM 999 O SER A 67 10.535 28.799 8.516 1.00 41.40 O ATOM 1000 CB SER A 67 9.257 27.005 11.135 1.00 30.10 C ATOM 1001 OG SER A 67 8.111 26.572 11.847 1.00 22.44 O ATOM 0 H SER A 67 8.335 26.524 8.868 1.00 33.33 H new ATOM 0 HA SER A 67 8.230 28.817 10.608 1.00 44.11 H new ATOM 0 HB2 SER A 67 9.705 26.160 10.612 1.00 30.10 H new ATOM 0 HB3 SER A 67 10.004 27.379 11.835 1.00 30.10 H new ATOM 0 HG SER A 67 8.366 25.870 12.482 1.00 22.44 H new ATOM 1007 N ASP A 68 10.813 29.499 10.636 1.00 44.11 N ATOM 1008 CA ASP A 68 12.035 30.241 10.347 1.00 41.13 C ATOM 1009 C ASP A 68 13.159 29.297 9.932 1.00 23.34 C ATOM 1010 O ASP A 68 14.020 29.656 9.130 1.00 2.42 O ATOM 1011 CB ASP A 68 12.462 31.058 11.567 1.00 22.02 C ATOM 1012 CG ASP A 68 13.835 31.678 11.397 1.00 22.03 C ATOM 1013 OD1 ASP A 68 14.836 30.995 11.699 1.00 33.33 O ATOM 1014 OD2 ASP A 68 13.909 32.847 10.963 1.00 22.22 O ATOM 0 H ASP A 68 10.516 29.539 11.611 1.00 44.11 H new ATOM 0 HA ASP A 68 11.831 30.920 9.519 1.00 41.13 H new ATOM 0 HB2 ASP A 68 11.731 31.846 11.747 1.00 22.02 H new ATOM 0 HB3 ASP A 68 12.463 30.416 12.448 1.00 22.02 H new ATOM 1019 N GLU A 69 13.144 28.088 10.486 1.00 4.21 N ATOM 1020 CA GLU A 69 14.164 27.094 10.175 1.00 62.41 C ATOM 1021 C GLU A 69 13.842 26.375 8.868 1.00 21.40 C ATOM 1022 O GLU A 69 14.736 26.071 8.079 1.00 71.12 O ATOM 1023 CB GLU A 69 14.282 26.078 11.313 1.00 34.31 C ATOM 1024 CG GLU A 69 12.998 25.308 11.577 1.00 42.12 C ATOM 1025 CD GLU A 69 13.078 24.450 12.825 1.00 43.43 C ATOM 1026 OE1 GLU A 69 14.057 24.599 13.586 1.00 51.02 O ATOM 1027 OE2 GLU A 69 12.161 23.630 13.040 1.00 1.40 O ATOM 0 H GLU A 69 12.438 27.774 11.151 1.00 4.21 H new ATOM 0 HA GLU A 69 15.116 27.612 10.060 1.00 62.41 H new ATOM 0 HB2 GLU A 69 15.078 25.371 11.077 1.00 34.31 H new ATOM 0 HB3 GLU A 69 14.578 26.598 12.224 1.00 34.31 H new ATOM 0 HG2 GLU A 69 12.171 26.011 11.677 1.00 42.12 H new ATOM 0 HG3 GLU A 69 12.776 24.674 10.719 1.00 42.12 H new ATOM 1034 N GLU A 70 12.559 26.106 8.648 1.00 31.51 N ATOM 1035 CA GLU A 70 12.119 25.421 7.438 1.00 42.11 C ATOM 1036 C GLU A 70 12.303 26.311 6.212 1.00 11.21 C ATOM 1037 O GLU A 70 13.007 25.950 5.270 1.00 1.52 O ATOM 1038 CB GLU A 70 10.652 25.006 7.565 1.00 60.41 C ATOM 1039 CG GLU A 70 10.198 24.037 6.485 1.00 0.44 C ATOM 1040 CD GLU A 70 10.457 22.589 6.854 1.00 41.50 C ATOM 1041 OE1 GLU A 70 10.212 22.221 8.021 1.00 33.24 O ATOM 1042 OE2 GLU A 70 10.905 21.825 5.974 1.00 43.12 O ATOM 0 H GLU A 70 11.806 26.352 9.291 1.00 31.51 H new ATOM 0 HA GLU A 70 12.732 24.528 7.313 1.00 42.11 H new ATOM 0 HB2 GLU A 70 10.496 24.548 8.542 1.00 60.41 H new ATOM 0 HB3 GLU A 70 10.026 25.898 7.528 1.00 60.41 H new ATOM 0 HG2 GLU A 70 9.133 24.176 6.302 1.00 0.44 H new ATOM 0 HG3 GLU A 70 10.715 24.269 5.554 1.00 0.44 H new ATOM 1049 N ASN A 71 11.663 27.476 6.233 1.00 62.02 N ATOM 1050 CA ASN A 71 11.754 28.418 5.123 1.00 25.11 C ATOM 1051 C ASN A 71 13.208 28.782 4.837 1.00 62.12 C ATOM 1052 O ASN A 71 13.561 29.133 3.711 1.00 72.45 O ATOM 1053 CB ASN A 71 10.952 29.683 5.433 1.00 12.03 C ATOM 1054 CG ASN A 71 11.307 30.834 4.512 1.00 61.34 C ATOM 1055 OD1 ASN A 71 11.884 31.833 4.942 1.00 72.34 O ATOM 1056 ND2 ASN A 71 10.963 30.698 3.236 1.00 21.22 N ATOM 0 H ASN A 71 11.076 27.790 7.006 1.00 62.02 H new ATOM 0 HA ASN A 71 11.336 27.939 4.237 1.00 25.11 H new ATOM 0 HB2 ASN A 71 9.888 29.466 5.344 1.00 12.03 H new ATOM 0 HB3 ASN A 71 11.132 29.980 6.466 1.00 12.03 H new ATOM 0 HD21 ASN A 71 11.176 31.439 2.569 1.00 21.22 H new ATOM 0 HD22 ASN A 71 10.486 29.852 2.924 1.00 21.22 H new ATOM 1063 N ASP A 72 14.047 28.696 5.863 1.00 30.52 N ATOM 1064 CA ASP A 72 15.463 29.014 5.722 1.00 21.13 C ATOM 1065 C ASP A 72 16.225 27.843 5.110 1.00 60.14 C ATOM 1066 O ASP A 72 17.008 28.019 4.177 1.00 53.45 O ATOM 1067 CB ASP A 72 16.064 29.374 7.082 1.00 44.43 C ATOM 1068 CG ASP A 72 17.555 29.641 7.003 1.00 32.43 C ATOM 1069 OD1 ASP A 72 17.937 30.799 6.737 1.00 10.12 O ATOM 1070 OD2 ASP A 72 18.339 28.690 7.207 1.00 2.11 O ATOM 0 H ASP A 72 13.771 28.409 6.802 1.00 30.52 H new ATOM 0 HA ASP A 72 15.553 29.871 5.055 1.00 21.13 H new ATOM 0 HB2 ASP A 72 15.560 30.256 7.477 1.00 44.43 H new ATOM 0 HB3 ASP A 72 15.880 28.561 7.784 1.00 44.43 H new ATOM 1075 N MET A 73 15.991 26.648 5.642 1.00 71.12 N ATOM 1076 CA MET A 73 16.655 25.448 5.147 1.00 64.22 C ATOM 1077 C MET A 73 16.407 25.266 3.653 1.00 72.21 C ATOM 1078 O MET A 73 17.202 24.636 2.953 1.00 15.41 O ATOM 1079 CB MET A 73 16.166 24.216 5.911 1.00 42.10 C ATOM 1080 CG MET A 73 17.160 23.066 5.911 1.00 43.15 C ATOM 1081 SD MET A 73 18.419 23.236 7.190 1.00 20.44 S ATOM 1082 CE MET A 73 17.845 22.037 8.391 1.00 14.00 C ATOM 0 H MET A 73 15.347 26.485 6.416 1.00 71.12 H new ATOM 0 HA MET A 73 17.727 25.564 5.308 1.00 64.22 H new ATOM 0 HB2 MET A 73 15.951 24.499 6.941 1.00 42.10 H new ATOM 0 HB3 MET A 73 15.228 23.875 5.472 1.00 42.10 H new ATOM 0 HG2 MET A 73 16.624 22.128 6.056 1.00 43.15 H new ATOM 0 HG3 MET A 73 17.644 23.009 4.936 1.00 43.15 H new ATOM 0 HE1 MET A 73 18.522 22.024 9.245 1.00 14.00 H new ATOM 0 HE2 MET A 73 16.844 22.308 8.726 1.00 14.00 H new ATOM 0 HE3 MET A 73 17.819 21.048 7.934 1.00 14.00 H new ATOM 1092 N LEU A 74 15.300 25.819 3.170 1.00 10.42 N ATOM 1093 CA LEU A 74 14.947 25.718 1.758 1.00 35.25 C ATOM 1094 C LEU A 74 16.091 26.203 0.874 1.00 12.24 C ATOM 1095 O LEU A 74 16.345 25.643 -0.192 1.00 42.10 O ATOM 1096 CB LEU A 74 13.683 26.530 1.469 1.00 42.30 C ATOM 1097 CG LEU A 74 13.229 26.568 0.009 1.00 4.33 C ATOM 1098 CD1 LEU A 74 12.273 25.422 -0.282 1.00 40.44 C ATOM 1099 CD2 LEU A 74 12.577 27.905 -0.312 1.00 32.03 C ATOM 0 H LEU A 74 14.631 26.342 3.735 1.00 10.42 H new ATOM 0 HA LEU A 74 14.757 24.669 1.530 1.00 35.25 H new ATOM 0 HB2 LEU A 74 12.870 26.125 2.071 1.00 42.30 H new ATOM 0 HB3 LEU A 74 13.849 27.554 1.804 1.00 42.30 H new ATOM 0 HG LEU A 74 14.106 26.453 -0.628 1.00 4.33 H new ATOM 0 HD11 LEU A 74 11.960 25.465 -1.325 1.00 40.44 H new ATOM 0 HD12 LEU A 74 12.774 24.473 -0.092 1.00 40.44 H new ATOM 0 HD13 LEU A 74 11.398 25.505 0.363 1.00 40.44 H new ATOM 0 HD21 LEU A 74 12.260 27.914 -1.355 1.00 32.03 H new ATOM 0 HD22 LEU A 74 11.710 28.051 0.332 1.00 32.03 H new ATOM 0 HD23 LEU A 74 13.293 28.709 -0.143 1.00 32.03 H new ATOM 1111 N ASP A 75 16.779 27.246 1.326 1.00 55.34 N ATOM 1112 CA ASP A 75 17.898 27.805 0.577 1.00 4.43 C ATOM 1113 C ASP A 75 19.015 26.778 0.421 1.00 32.50 C ATOM 1114 O ASP A 75 19.790 26.828 -0.535 1.00 23.14 O ATOM 1115 CB ASP A 75 18.434 29.056 1.277 1.00 33.42 C ATOM 1116 CG ASP A 75 19.354 29.868 0.388 1.00 64.43 C ATOM 1117 OD1 ASP A 75 18.847 30.720 -0.371 1.00 50.31 O ATOM 1118 OD2 ASP A 75 20.583 29.651 0.451 1.00 55.22 O ATOM 0 H ASP A 75 16.581 27.721 2.207 1.00 55.34 H new ATOM 0 HA ASP A 75 17.538 28.078 -0.415 1.00 4.43 H new ATOM 0 HB2 ASP A 75 17.597 29.678 1.593 1.00 33.42 H new ATOM 0 HB3 ASP A 75 18.971 28.762 2.179 1.00 33.42 H new ATOM 1123 N LEU A 76 19.091 25.847 1.366 1.00 63.33 N ATOM 1124 CA LEU A 76 20.114 24.807 1.334 1.00 73.40 C ATOM 1125 C LEU A 76 19.607 23.567 0.604 1.00 31.11 C ATOM 1126 O LEU A 76 20.241 22.512 0.637 1.00 15.54 O ATOM 1127 CB LEU A 76 20.538 24.437 2.756 1.00 12.35 C ATOM 1128 CG LEU A 76 21.566 25.360 3.411 1.00 11.45 C ATOM 1129 CD1 LEU A 76 22.847 25.398 2.593 1.00 2.12 C ATOM 1130 CD2 LEU A 76 20.995 26.761 3.577 1.00 4.43 C ATOM 0 H LEU A 76 18.457 25.791 2.163 1.00 63.33 H new ATOM 0 HA LEU A 76 20.977 25.197 0.794 1.00 73.40 H new ATOM 0 HB2 LEU A 76 19.648 24.413 3.385 1.00 12.35 H new ATOM 0 HB3 LEU A 76 20.945 23.426 2.741 1.00 12.35 H new ATOM 0 HG LEU A 76 21.802 24.966 4.399 1.00 11.45 H new ATOM 0 HD11 LEU A 76 23.567 26.060 3.075 1.00 2.12 H new ATOM 0 HD12 LEU A 76 23.266 24.394 2.526 1.00 2.12 H new ATOM 0 HD13 LEU A 76 22.628 25.767 1.591 1.00 2.12 H new ATOM 0 HD21 LEU A 76 21.740 27.405 4.045 1.00 4.43 H new ATOM 0 HD22 LEU A 76 20.730 27.164 2.600 1.00 4.43 H new ATOM 0 HD23 LEU A 76 20.106 26.719 4.206 1.00 4.43 H new ATOM 1142 N ALA A 77 18.462 23.702 -0.056 1.00 55.23 N ATOM 1143 CA ALA A 77 17.872 22.595 -0.798 1.00 31.40 C ATOM 1144 C ALA A 77 18.819 22.095 -1.884 1.00 52.41 C ATOM 1145 O ALA A 77 18.911 22.686 -2.961 1.00 22.25 O ATOM 1146 CB ALA A 77 16.542 23.015 -1.407 1.00 4.34 C ATOM 0 H ALA A 77 17.924 24.568 -0.092 1.00 55.23 H new ATOM 0 HA ALA A 77 17.696 21.776 -0.100 1.00 31.40 H new ATOM 0 HB1 ALA A 77 16.114 22.178 -1.958 1.00 4.34 H new ATOM 0 HB2 ALA A 77 15.857 23.316 -0.614 1.00 4.34 H new ATOM 0 HB3 ALA A 77 16.701 23.853 -2.086 1.00 4.34 H new ATOM 1152 N PHE A 78 19.521 21.005 -1.595 1.00 2.12 N ATOM 1153 CA PHE A 78 20.463 20.427 -2.547 1.00 11.43 C ATOM 1154 C PHE A 78 20.246 18.923 -2.682 1.00 55.10 C ATOM 1155 O PHE A 78 20.142 18.208 -1.687 1.00 22.35 O ATOM 1156 CB PHE A 78 21.901 20.709 -2.108 1.00 65.20 C ATOM 1157 CG PHE A 78 22.854 20.889 -3.256 1.00 14.45 C ATOM 1158 CD1 PHE A 78 22.609 21.841 -4.232 1.00 44.43 C ATOM 1159 CD2 PHE A 78 23.993 20.108 -3.357 1.00 70.43 C ATOM 1160 CE1 PHE A 78 23.484 22.009 -5.290 1.00 34.04 C ATOM 1161 CE2 PHE A 78 24.871 20.271 -4.412 1.00 61.02 C ATOM 1162 CZ PHE A 78 24.616 21.224 -5.379 1.00 64.30 C ATOM 0 H PHE A 78 19.456 20.504 -0.709 1.00 2.12 H new ATOM 0 HA PHE A 78 20.289 20.890 -3.519 1.00 11.43 H new ATOM 0 HB2 PHE A 78 21.914 21.607 -1.491 1.00 65.20 H new ATOM 0 HB3 PHE A 78 22.249 19.887 -1.482 1.00 65.20 H new ATOM 0 HD1 PHE A 78 21.725 22.459 -4.166 1.00 44.43 H new ATOM 0 HD2 PHE A 78 24.198 19.363 -2.603 1.00 70.43 H new ATOM 0 HE1 PHE A 78 23.282 22.754 -6.046 1.00 34.04 H new ATOM 0 HE2 PHE A 78 25.755 19.654 -4.480 1.00 61.02 H new ATOM 0 HZ PHE A 78 25.301 21.355 -6.203 1.00 64.30 H new ATOM 1172 N GLY A 79 20.176 18.450 -3.923 1.00 5.31 N ATOM 1173 CA GLY A 79 19.971 17.035 -4.167 1.00 30.41 C ATOM 1174 C GLY A 79 18.513 16.692 -4.398 1.00 73.24 C ATOM 1175 O GLY A 79 18.197 15.677 -5.021 1.00 51.14 O ATOM 0 H GLY A 79 20.258 19.022 -4.763 1.00 5.31 H new ATOM 0 HA2 GLY A 79 20.555 16.731 -5.036 1.00 30.41 H new ATOM 0 HA3 GLY A 79 20.345 16.465 -3.317 1.00 30.41 H new ATOM 1179 N LEU A 80 17.621 17.538 -3.895 1.00 72.21 N ATOM 1180 CA LEU A 80 16.187 17.319 -4.049 1.00 33.32 C ATOM 1181 C LEU A 80 15.664 17.997 -5.311 1.00 44.30 C ATOM 1182 O LEU A 80 16.290 18.918 -5.839 1.00 34.31 O ATOM 1183 CB LEU A 80 15.436 17.846 -2.825 1.00 22.04 C ATOM 1184 CG LEU A 80 14.092 17.181 -2.524 1.00 3.53 C ATOM 1185 CD1 LEU A 80 14.302 15.835 -1.848 1.00 51.14 C ATOM 1186 CD2 LEU A 80 13.232 18.088 -1.655 1.00 71.41 C ATOM 0 H LEU A 80 17.865 18.382 -3.377 1.00 72.21 H new ATOM 0 HA LEU A 80 16.017 16.246 -4.138 1.00 33.32 H new ATOM 0 HB2 LEU A 80 16.079 17.731 -1.952 1.00 22.04 H new ATOM 0 HB3 LEU A 80 15.268 18.915 -2.959 1.00 22.04 H new ATOM 0 HG LEU A 80 13.571 17.013 -3.467 1.00 3.53 H new ATOM 0 HD11 LEU A 80 13.335 15.377 -1.641 1.00 51.14 H new ATOM 0 HD12 LEU A 80 14.879 15.184 -2.505 1.00 51.14 H new ATOM 0 HD13 LEU A 80 14.843 15.978 -0.913 1.00 51.14 H new ATOM 0 HD21 LEU A 80 12.279 17.599 -1.450 1.00 71.41 H new ATOM 0 HD22 LEU A 80 13.747 18.287 -0.715 1.00 71.41 H new ATOM 0 HD23 LEU A 80 13.053 19.028 -2.176 1.00 71.41 H new ATOM 1198 N THR A 81 14.512 17.538 -5.790 1.00 42.50 N ATOM 1199 CA THR A 81 13.905 18.101 -6.989 1.00 53.32 C ATOM 1200 C THR A 81 13.081 19.341 -6.659 1.00 24.15 C ATOM 1201 O THR A 81 12.878 19.669 -5.489 1.00 75.35 O ATOM 1202 CB THR A 81 13.002 17.073 -7.697 1.00 40.42 C ATOM 1203 OG1 THR A 81 12.297 16.291 -6.727 1.00 72.44 O ATOM 1204 CG2 THR A 81 13.823 16.159 -8.594 1.00 41.32 C ATOM 0 H THR A 81 13.981 16.778 -5.366 1.00 42.50 H new ATOM 0 HA THR A 81 14.722 18.378 -7.656 1.00 53.32 H new ATOM 0 HB THR A 81 12.287 17.615 -8.315 1.00 40.42 H new ATOM 0 HG1 THR A 81 11.724 15.641 -7.185 1.00 72.44 H new ATOM 0 HG21 THR A 81 13.164 15.442 -9.083 1.00 41.32 H new ATOM 0 HG22 THR A 81 14.335 16.755 -9.349 1.00 41.32 H new ATOM 0 HG23 THR A 81 14.559 15.625 -7.993 1.00 41.32 H new ATOM 1212 N ASP A 82 12.610 20.026 -7.695 1.00 21.05 N ATOM 1213 CA ASP A 82 11.807 21.229 -7.514 1.00 13.54 C ATOM 1214 C ASP A 82 10.335 20.877 -7.320 1.00 23.54 C ATOM 1215 O ASP A 82 9.488 21.758 -7.168 1.00 65.20 O ATOM 1216 CB ASP A 82 11.966 22.161 -8.716 1.00 63.45 C ATOM 1217 CG ASP A 82 13.272 22.930 -8.684 1.00 24.31 C ATOM 1218 OD1 ASP A 82 14.157 22.564 -7.882 1.00 30.14 O ATOM 1219 OD2 ASP A 82 13.410 23.897 -9.461 1.00 43.03 O ATOM 0 H ASP A 82 12.771 19.769 -8.669 1.00 21.05 H new ATOM 0 HA ASP A 82 12.161 21.740 -6.619 1.00 13.54 H new ATOM 0 HB2 ASP A 82 11.914 21.576 -9.635 1.00 63.45 H new ATOM 0 HB3 ASP A 82 11.134 22.865 -8.739 1.00 63.45 H new ATOM 1224 N THR A 83 10.037 19.581 -7.326 1.00 53.05 N ATOM 1225 CA THR A 83 8.668 19.111 -7.154 1.00 11.23 C ATOM 1226 C THR A 83 8.462 18.515 -5.766 1.00 3.01 C ATOM 1227 O THR A 83 7.335 18.420 -5.282 1.00 34.33 O ATOM 1228 CB THR A 83 8.298 18.056 -8.213 1.00 42.13 C ATOM 1229 OG1 THR A 83 8.793 16.772 -7.819 1.00 63.40 O ATOM 1230 CG2 THR A 83 8.870 18.430 -9.572 1.00 41.43 C ATOM 0 H THR A 83 10.726 18.839 -7.448 1.00 53.05 H new ATOM 0 HA THR A 83 8.019 19.978 -7.275 1.00 11.23 H new ATOM 0 HB THR A 83 7.212 18.018 -8.292 1.00 42.13 H new ATOM 0 HG1 THR A 83 8.552 16.106 -8.497 1.00 63.40 H new ATOM 0 HG21 THR A 83 8.596 17.670 -10.304 1.00 41.43 H new ATOM 0 HG22 THR A 83 8.469 19.395 -9.883 1.00 41.43 H new ATOM 0 HG23 THR A 83 9.956 18.494 -9.505 1.00 41.43 H new ATOM 1238 N SER A 84 9.559 18.115 -5.130 1.00 41.51 N ATOM 1239 CA SER A 84 9.498 17.525 -3.798 1.00 42.30 C ATOM 1240 C SER A 84 9.670 18.593 -2.722 1.00 41.43 C ATOM 1241 O SER A 84 9.968 19.750 -3.022 1.00 70.31 O ATOM 1242 CB SER A 84 10.577 16.451 -3.643 1.00 53.33 C ATOM 1243 OG SER A 84 10.294 15.599 -2.547 1.00 72.32 O ATOM 0 H SER A 84 10.500 18.189 -5.516 1.00 41.51 H new ATOM 0 HA SER A 84 8.517 17.065 -3.676 1.00 42.30 H new ATOM 0 HB2 SER A 84 10.643 15.862 -4.558 1.00 53.33 H new ATOM 0 HB3 SER A 84 11.548 16.925 -3.498 1.00 53.33 H new ATOM 0 HG SER A 84 11.048 15.609 -1.921 1.00 72.32 H new ATOM 1249 N ARG A 85 9.480 18.197 -1.468 1.00 60.01 N ATOM 1250 CA ARG A 85 9.612 19.119 -0.347 1.00 5.41 C ATOM 1251 C ARG A 85 10.883 18.831 0.447 1.00 44.41 C ATOM 1252 O ARG A 85 11.252 17.674 0.651 1.00 32.11 O ATOM 1253 CB ARG A 85 8.392 19.020 0.570 1.00 20.41 C ATOM 1254 CG ARG A 85 7.278 19.988 0.209 1.00 50.41 C ATOM 1255 CD ARG A 85 7.382 21.279 1.006 1.00 42.42 C ATOM 1256 NE ARG A 85 6.069 21.825 1.337 1.00 11.45 N ATOM 1257 CZ ARG A 85 5.861 22.693 2.322 1.00 50.04 C ATOM 1258 NH1 ARG A 85 6.875 23.111 3.066 1.00 10.25 N ATOM 1259 NH2 ARG A 85 4.637 23.145 2.562 1.00 34.50 N ATOM 0 H ARG A 85 9.234 17.243 -1.203 1.00 60.01 H new ATOM 0 HA ARG A 85 9.675 20.131 -0.747 1.00 5.41 H new ATOM 0 HB2 ARG A 85 8.003 18.002 0.534 1.00 20.41 H new ATOM 0 HB3 ARG A 85 8.705 19.206 1.598 1.00 20.41 H new ATOM 0 HG2 ARG A 85 7.321 20.213 -0.857 1.00 50.41 H new ATOM 0 HG3 ARG A 85 6.312 19.520 0.398 1.00 50.41 H new ATOM 0 HD2 ARG A 85 7.940 21.094 1.924 1.00 42.42 H new ATOM 0 HD3 ARG A 85 7.946 22.014 0.433 1.00 42.42 H new ATOM 0 HE ARG A 85 5.268 21.524 0.782 1.00 11.45 H new ATOM 0 HH11 ARG A 85 7.818 22.767 2.883 1.00 10.25 H new ATOM 0 HH12 ARG A 85 6.713 23.777 3.821 1.00 10.25 H new ATOM 0 HH21 ARG A 85 3.855 22.826 1.990 1.00 34.50 H new ATOM 0 HH22 ARG A 85 4.478 23.811 3.318 1.00 34.50 H new ATOM 1273 N LEU A 86 11.550 19.891 0.892 1.00 53.04 N ATOM 1274 CA LEU A 86 12.780 19.753 1.663 1.00 62.31 C ATOM 1275 C LEU A 86 12.582 18.800 2.838 1.00 44.14 C ATOM 1276 O LEU A 86 11.625 18.929 3.600 1.00 25.40 O ATOM 1277 CB LEU A 86 13.243 21.119 2.172 1.00 53.11 C ATOM 1278 CG LEU A 86 14.542 21.131 2.977 1.00 25.32 C ATOM 1279 CD1 LEU A 86 15.259 22.462 2.815 1.00 12.44 C ATOM 1280 CD2 LEU A 86 14.262 20.849 4.446 1.00 23.31 C ATOM 0 H LEU A 86 11.259 20.855 0.732 1.00 53.04 H new ATOM 0 HA LEU A 86 13.546 19.338 1.007 1.00 62.31 H new ATOM 0 HB2 LEU A 86 13.364 21.781 1.315 1.00 53.11 H new ATOM 0 HB3 LEU A 86 12.451 21.541 2.791 1.00 53.11 H new ATOM 0 HG LEU A 86 15.191 20.344 2.594 1.00 25.32 H new ATOM 0 HD11 LEU A 86 16.182 22.451 3.395 1.00 12.44 H new ATOM 0 HD12 LEU A 86 15.494 22.623 1.763 1.00 12.44 H new ATOM 0 HD13 LEU A 86 14.616 23.267 3.170 1.00 12.44 H new ATOM 0 HD21 LEU A 86 15.198 20.861 5.004 1.00 23.31 H new ATOM 0 HD22 LEU A 86 13.593 21.613 4.842 1.00 23.31 H new ATOM 0 HD23 LEU A 86 13.793 19.870 4.546 1.00 23.31 H new ATOM 1292 N GLY A 87 13.496 17.844 2.978 1.00 1.35 N ATOM 1293 CA GLY A 87 13.405 16.885 4.064 1.00 41.32 C ATOM 1294 C GLY A 87 13.128 15.478 3.572 1.00 3.25 C ATOM 1295 O GLY A 87 12.342 14.747 4.175 1.00 73.31 O ATOM 0 H GLY A 87 14.297 17.717 2.359 1.00 1.35 H new ATOM 0 HA2 GLY A 87 14.336 16.892 4.630 1.00 41.32 H new ATOM 0 HA3 GLY A 87 12.614 17.190 4.749 1.00 41.32 H new ATOM 1299 N CYS A 88 13.774 15.099 2.476 1.00 61.25 N ATOM 1300 CA CYS A 88 13.591 13.770 1.902 1.00 45.23 C ATOM 1301 C CYS A 88 14.559 13.540 0.746 1.00 63.53 C ATOM 1302 O CYS A 88 15.393 14.393 0.443 1.00 60.52 O ATOM 1303 CB CYS A 88 12.151 13.594 1.420 1.00 71.14 C ATOM 1304 SG CYS A 88 11.698 14.669 0.038 1.00 12.23 S ATOM 0 H CYS A 88 14.429 15.692 1.967 1.00 61.25 H new ATOM 0 HA CYS A 88 13.799 13.034 2.678 1.00 45.23 H new ATOM 0 HB2 CYS A 88 12.003 12.556 1.122 1.00 71.14 H new ATOM 0 HB3 CYS A 88 11.474 13.786 2.253 1.00 71.14 H new ATOM 0 HG CYS A 88 11.569 15.891 0.463 1.00 12.23 H new ATOM 1310 N GLN A 89 14.443 12.380 0.106 1.00 51.53 N ATOM 1311 CA GLN A 89 15.310 12.037 -1.015 1.00 53.14 C ATOM 1312 C GLN A 89 14.489 11.719 -2.261 1.00 33.44 C ATOM 1313 O GLN A 89 14.931 10.971 -3.133 1.00 24.41 O ATOM 1314 CB GLN A 89 16.196 10.843 -0.655 1.00 50.52 C ATOM 1315 CG GLN A 89 17.530 10.835 -1.383 1.00 64.14 C ATOM 1316 CD GLN A 89 18.547 11.764 -0.750 1.00 12.31 C ATOM 1317 OE1 GLN A 89 18.679 11.818 0.473 1.00 34.12 O ATOM 1318 NE2 GLN A 89 19.273 12.503 -1.581 1.00 72.21 N ATOM 0 H GLN A 89 13.758 11.663 0.345 1.00 51.53 H new ATOM 0 HA GLN A 89 15.943 12.898 -1.229 1.00 53.14 H new ATOM 0 HB2 GLN A 89 16.378 10.847 0.420 1.00 50.52 H new ATOM 0 HB3 GLN A 89 15.661 9.922 -0.884 1.00 50.52 H new ATOM 0 HG2 GLN A 89 17.928 9.820 -1.393 1.00 64.14 H new ATOM 0 HG3 GLN A 89 17.374 11.127 -2.422 1.00 64.14 H new ATOM 0 HE21 GLN A 89 19.131 12.427 -2.588 1.00 72.21 H new ATOM 0 HE22 GLN A 89 19.973 13.147 -1.212 1.00 72.21 H new ATOM 1327 N ILE A 90 13.292 12.290 -2.336 1.00 53.32 N ATOM 1328 CA ILE A 90 12.410 12.067 -3.475 1.00 52.41 C ATOM 1329 C ILE A 90 12.015 10.599 -3.585 1.00 60.45 C ATOM 1330 O ILE A 90 12.501 9.879 -4.459 1.00 14.02 O ATOM 1331 CB ILE A 90 13.071 12.510 -4.794 1.00 15.31 C ATOM 1332 CG1 ILE A 90 13.906 13.773 -4.572 1.00 70.23 C ATOM 1333 CG2 ILE A 90 12.014 12.749 -5.862 1.00 35.31 C ATOM 1334 CD1 ILE A 90 14.552 14.299 -5.835 1.00 1.13 C ATOM 0 H ILE A 90 12.910 12.910 -1.622 1.00 53.32 H new ATOM 0 HA ILE A 90 11.517 12.669 -3.306 1.00 52.41 H new ATOM 0 HB ILE A 90 13.733 11.715 -5.137 1.00 15.31 H new ATOM 0 HG12 ILE A 90 13.270 14.550 -4.148 1.00 70.23 H new ATOM 0 HG13 ILE A 90 14.683 13.561 -3.837 1.00 70.23 H new ATOM 0 HG21 ILE A 90 12.497 13.061 -6.788 1.00 35.31 H new ATOM 0 HG22 ILE A 90 11.457 11.828 -6.036 1.00 35.31 H new ATOM 0 HG23 ILE A 90 11.330 13.529 -5.528 1.00 35.31 H new ATOM 0 HD11 ILE A 90 15.128 15.195 -5.603 1.00 1.13 H new ATOM 0 HD12 ILE A 90 15.214 13.539 -6.249 1.00 1.13 H new ATOM 0 HD13 ILE A 90 13.780 14.543 -6.564 1.00 1.13 H new ATOM 1346 N ILE A 91 11.130 10.161 -2.696 1.00 4.01 N ATOM 1347 CA ILE A 91 10.668 8.779 -2.695 1.00 60.34 C ATOM 1348 C ILE A 91 9.157 8.705 -2.884 1.00 74.51 C ATOM 1349 O ILE A 91 8.390 9.003 -1.967 1.00 40.13 O ATOM 1350 CB ILE A 91 11.047 8.059 -1.388 1.00 32.23 C ATOM 1351 CG1 ILE A 91 10.807 8.977 -0.187 1.00 25.50 C ATOM 1352 CG2 ILE A 91 12.498 7.606 -1.434 1.00 23.42 C ATOM 1353 CD1 ILE A 91 11.113 8.324 1.143 1.00 64.21 C ATOM 0 H ILE A 91 10.719 10.744 -1.967 1.00 4.01 H new ATOM 0 HA ILE A 91 11.161 8.281 -3.530 1.00 60.34 H new ATOM 0 HB ILE A 91 10.415 7.177 -1.280 1.00 32.23 H new ATOM 0 HG12 ILE A 91 11.422 9.870 -0.294 1.00 25.50 H new ATOM 0 HG13 ILE A 91 9.767 9.304 -0.192 1.00 25.50 H new ATOM 0 HG21 ILE A 91 12.751 7.099 -0.503 1.00 23.42 H new ATOM 0 HG22 ILE A 91 12.639 6.921 -2.270 1.00 23.42 H new ATOM 0 HG23 ILE A 91 13.146 8.473 -1.562 1.00 23.42 H new ATOM 0 HD11 ILE A 91 10.920 9.032 1.949 1.00 64.21 H new ATOM 0 HD12 ILE A 91 10.479 7.447 1.272 1.00 64.21 H new ATOM 0 HD13 ILE A 91 12.160 8.022 1.168 1.00 64.21 H new ATOM 1365 N LEU A 92 8.734 8.303 -4.078 1.00 1.12 N ATOM 1366 CA LEU A 92 7.313 8.187 -4.387 1.00 42.12 C ATOM 1367 C LEU A 92 6.572 7.452 -3.275 1.00 60.54 C ATOM 1368 O LEU A 92 7.182 6.765 -2.456 1.00 25.45 O ATOM 1369 CB LEU A 92 7.119 7.455 -5.716 1.00 53.33 C ATOM 1370 CG LEU A 92 7.991 7.931 -6.878 1.00 64.24 C ATOM 1371 CD1 LEU A 92 9.120 6.944 -7.137 1.00 54.32 C ATOM 1372 CD2 LEU A 92 7.151 8.124 -8.132 1.00 61.33 C ATOM 0 H LEU A 92 9.355 8.052 -4.848 1.00 1.12 H new ATOM 0 HA LEU A 92 6.901 9.193 -4.469 1.00 42.12 H new ATOM 0 HB2 LEU A 92 7.311 6.394 -5.555 1.00 53.33 H new ATOM 0 HB3 LEU A 92 6.074 7.549 -6.010 1.00 53.33 H new ATOM 0 HG LEU A 92 8.430 8.892 -6.608 1.00 64.24 H new ATOM 0 HD11 LEU A 92 9.730 7.299 -7.967 1.00 54.32 H new ATOM 0 HD12 LEU A 92 9.738 6.856 -6.244 1.00 54.32 H new ATOM 0 HD13 LEU A 92 8.701 5.969 -7.386 1.00 54.32 H new ATOM 0 HD21 LEU A 92 7.789 8.463 -8.948 1.00 61.33 H new ATOM 0 HD22 LEU A 92 6.683 7.178 -8.406 1.00 61.33 H new ATOM 0 HD23 LEU A 92 6.379 8.869 -7.941 1.00 61.33 H new ATOM 1384 N THR A 93 5.251 7.598 -3.254 1.00 52.22 N ATOM 1385 CA THR A 93 4.426 6.947 -2.244 1.00 53.43 C ATOM 1386 C THR A 93 3.036 6.636 -2.787 1.00 72.33 C ATOM 1387 O THR A 93 2.595 7.228 -3.773 1.00 3.25 O ATOM 1388 CB THR A 93 4.288 7.821 -0.983 1.00 53.13 C ATOM 1389 OG1 THR A 93 3.089 7.479 -0.279 1.00 72.00 O ATOM 1390 CG2 THR A 93 4.264 9.298 -1.348 1.00 72.20 C ATOM 0 H THR A 93 4.729 8.162 -3.925 1.00 52.22 H new ATOM 0 HA THR A 93 4.927 6.016 -1.979 1.00 53.43 H new ATOM 0 HB THR A 93 5.150 7.635 -0.343 1.00 53.13 H new ATOM 0 HG1 THR A 93 2.985 8.069 0.496 1.00 72.00 H new ATOM 0 HG21 THR A 93 4.166 9.895 -0.441 1.00 72.20 H new ATOM 0 HG22 THR A 93 5.191 9.562 -1.858 1.00 72.20 H new ATOM 0 HG23 THR A 93 3.418 9.496 -2.006 1.00 72.20 H new ATOM 1398 N LYS A 94 2.348 5.702 -2.139 1.00 10.25 N ATOM 1399 CA LYS A 94 1.006 5.312 -2.554 1.00 40.25 C ATOM 1400 C LYS A 94 0.054 6.503 -2.507 1.00 0.12 C ATOM 1401 O LYS A 94 -1.015 6.479 -3.116 1.00 63.12 O ATOM 1402 CB LYS A 94 0.479 4.188 -1.660 1.00 11.24 C ATOM 1403 CG LYS A 94 -1.033 4.187 -1.511 1.00 3.42 C ATOM 1404 CD LYS A 94 -1.535 2.879 -0.923 1.00 45.13 C ATOM 1405 CE LYS A 94 -2.159 1.993 -1.990 1.00 34.43 C ATOM 1406 NZ LYS A 94 -3.643 2.122 -2.019 1.00 23.31 N ATOM 0 H LYS A 94 2.699 5.200 -1.323 1.00 10.25 H new ATOM 0 HA LYS A 94 1.061 4.954 -3.582 1.00 40.25 H new ATOM 0 HB2 LYS A 94 0.796 3.229 -2.071 1.00 11.24 H new ATOM 0 HB3 LYS A 94 0.933 4.277 -0.673 1.00 11.24 H new ATOM 0 HG2 LYS A 94 -1.337 5.015 -0.871 1.00 3.42 H new ATOM 0 HG3 LYS A 94 -1.495 4.351 -2.484 1.00 3.42 H new ATOM 0 HD2 LYS A 94 -0.708 2.351 -0.448 1.00 45.13 H new ATOM 0 HD3 LYS A 94 -2.270 3.087 -0.145 1.00 45.13 H new ATOM 0 HE2 LYS A 94 -1.752 2.258 -2.966 1.00 34.43 H new ATOM 0 HE3 LYS A 94 -1.888 0.954 -1.803 1.00 34.43 H new ATOM 0 HZ1 LYS A 94 -4.031 1.503 -2.759 1.00 23.31 H new ATOM 0 HZ2 LYS A 94 -4.034 1.845 -1.096 1.00 23.31 H new ATOM 0 HZ3 LYS A 94 -3.902 3.109 -2.222 1.00 23.31 H new ATOM 1420 N GLU A 95 0.450 7.543 -1.780 1.00 45.43 N ATOM 1421 CA GLU A 95 -0.369 8.743 -1.655 1.00 5.31 C ATOM 1422 C GLU A 95 -0.760 9.280 -3.028 1.00 55.44 C ATOM 1423 O GLU A 95 -1.786 9.946 -3.178 1.00 1.31 O ATOM 1424 CB GLU A 95 0.382 9.820 -0.869 1.00 43.42 C ATOM 1425 CG GLU A 95 0.137 9.763 0.629 1.00 14.22 C ATOM 1426 CD GLU A 95 0.553 8.439 1.239 1.00 64.34 C ATOM 1427 OE1 GLU A 95 -0.187 7.448 1.068 1.00 23.43 O ATOM 1428 OE2 GLU A 95 1.621 8.394 1.886 1.00 74.11 O ATOM 0 H GLU A 95 1.332 7.579 -1.269 1.00 45.43 H new ATOM 0 HA GLU A 95 -1.278 8.477 -1.116 1.00 5.31 H new ATOM 0 HB2 GLU A 95 1.451 9.717 -1.058 1.00 43.42 H new ATOM 0 HB3 GLU A 95 0.086 10.801 -1.240 1.00 43.42 H new ATOM 0 HG2 GLU A 95 0.686 10.570 1.114 1.00 14.22 H new ATOM 0 HG3 GLU A 95 -0.921 9.933 0.827 1.00 14.22 H new ATOM 1435 N LEU A 96 0.063 8.987 -4.029 1.00 10.03 N ATOM 1436 CA LEU A 96 -0.196 9.440 -5.391 1.00 0.31 C ATOM 1437 C LEU A 96 -0.906 8.359 -6.199 1.00 32.11 C ATOM 1438 O LEU A 96 -0.839 8.344 -7.428 1.00 75.21 O ATOM 1439 CB LEU A 96 1.114 9.828 -6.078 1.00 44.41 C ATOM 1440 CG LEU A 96 1.969 10.869 -5.354 1.00 42.32 C ATOM 1441 CD1 LEU A 96 3.001 10.190 -4.468 1.00 22.52 C ATOM 1442 CD2 LEU A 96 2.649 11.792 -6.356 1.00 74.50 C ATOM 0 H LEU A 96 0.916 8.437 -3.923 1.00 10.03 H new ATOM 0 HA LEU A 96 -0.845 10.314 -5.339 1.00 0.31 H new ATOM 0 HB2 LEU A 96 1.711 8.926 -6.212 1.00 44.41 H new ATOM 0 HB3 LEU A 96 0.881 10.207 -7.073 1.00 44.41 H new ATOM 0 HG LEU A 96 1.316 11.470 -4.721 1.00 42.32 H new ATOM 0 HD11 LEU A 96 3.600 10.947 -3.961 1.00 22.52 H new ATOM 0 HD12 LEU A 96 2.494 9.572 -3.727 1.00 22.52 H new ATOM 0 HD13 LEU A 96 3.650 9.564 -5.080 1.00 22.52 H new ATOM 0 HD21 LEU A 96 3.253 12.526 -5.823 1.00 74.50 H new ATOM 0 HD22 LEU A 96 3.289 11.205 -7.015 1.00 74.50 H new ATOM 0 HD23 LEU A 96 1.892 12.306 -6.949 1.00 74.50 H new ATOM 1454 N ASP A 97 -1.587 7.457 -5.500 1.00 53.33 N ATOM 1455 CA ASP A 97 -2.313 6.374 -6.153 1.00 33.24 C ATOM 1456 C ASP A 97 -3.446 6.921 -7.016 1.00 22.12 C ATOM 1457 O ASP A 97 -4.387 7.530 -6.510 1.00 33.14 O ATOM 1458 CB ASP A 97 -2.873 5.405 -5.109 1.00 43.52 C ATOM 1459 CG ASP A 97 -4.014 4.567 -5.650 1.00 53.44 C ATOM 1460 OD1 ASP A 97 -3.764 3.728 -6.541 1.00 53.11 O ATOM 1461 OD2 ASP A 97 -5.157 4.750 -5.183 1.00 35.03 O ATOM 0 H ASP A 97 -1.651 7.455 -4.482 1.00 53.33 H new ATOM 0 HA ASP A 97 -1.615 5.839 -6.798 1.00 33.24 H new ATOM 0 HB2 ASP A 97 -2.075 4.747 -4.763 1.00 43.52 H new ATOM 0 HB3 ASP A 97 -3.219 5.969 -4.243 1.00 43.52 H new ATOM 1466 N GLY A 98 -3.347 6.700 -8.323 1.00 44.03 N ATOM 1467 CA GLY A 98 -4.368 7.178 -9.236 1.00 54.41 C ATOM 1468 C GLY A 98 -4.177 8.635 -9.609 1.00 43.11 C ATOM 1469 O GLY A 98 -4.930 9.182 -10.416 1.00 31.41 O ATOM 0 H GLY A 98 -2.577 6.198 -8.766 1.00 44.03 H new ATOM 0 HA2 GLY A 98 -4.355 6.570 -10.141 1.00 54.41 H new ATOM 0 HA3 GLY A 98 -5.349 7.049 -8.779 1.00 54.41 H new ATOM 1473 N LEU A 99 -3.167 9.267 -9.020 1.00 73.12 N ATOM 1474 CA LEU A 99 -2.879 10.671 -9.294 1.00 34.42 C ATOM 1475 C LEU A 99 -1.768 10.807 -10.329 1.00 62.45 C ATOM 1476 O LEU A 99 -0.925 9.919 -10.470 1.00 53.44 O ATOM 1477 CB LEU A 99 -2.481 11.391 -8.004 1.00 75.33 C ATOM 1478 CG LEU A 99 -2.679 12.907 -7.994 1.00 31.01 C ATOM 1479 CD1 LEU A 99 -4.154 13.254 -8.121 1.00 33.13 C ATOM 1480 CD2 LEU A 99 -2.094 13.512 -6.726 1.00 40.32 C ATOM 0 H LEU A 99 -2.534 8.830 -8.350 1.00 73.12 H new ATOM 0 HA LEU A 99 -3.782 11.130 -9.696 1.00 34.42 H new ATOM 0 HB2 LEU A 99 -3.055 10.964 -7.181 1.00 75.33 H new ATOM 0 HB3 LEU A 99 -1.431 11.180 -7.803 1.00 75.33 H new ATOM 0 HG LEU A 99 -2.153 13.329 -8.851 1.00 31.01 H new ATOM 0 HD11 LEU A 99 -4.275 14.337 -8.112 1.00 33.13 H new ATOM 0 HD12 LEU A 99 -4.543 12.853 -9.057 1.00 33.13 H new ATOM 0 HD13 LEU A 99 -4.703 12.821 -7.285 1.00 33.13 H new ATOM 0 HD21 LEU A 99 -2.244 14.592 -6.735 1.00 40.32 H new ATOM 0 HD22 LEU A 99 -2.592 13.084 -5.856 1.00 40.32 H new ATOM 0 HD23 LEU A 99 -1.027 13.294 -6.678 1.00 40.32 H new ATOM 1492 N CYS A 100 -1.771 11.923 -11.050 1.00 20.33 N ATOM 1493 CA CYS A 100 -0.762 12.176 -12.072 1.00 23.11 C ATOM 1494 C CYS A 100 0.281 13.170 -11.572 1.00 10.41 C ATOM 1495 O CYS A 100 -0.057 14.254 -11.096 1.00 14.12 O ATOM 1496 CB CYS A 100 -1.419 12.705 -13.347 1.00 51.41 C ATOM 1497 SG CYS A 100 -2.397 14.207 -13.105 1.00 4.22 S ATOM 0 H CYS A 100 -2.461 12.667 -10.946 1.00 20.33 H new ATOM 0 HA CYS A 100 -0.262 11.234 -12.295 1.00 23.11 H new ATOM 0 HB2 CYS A 100 -0.644 12.904 -14.087 1.00 51.41 H new ATOM 0 HB3 CYS A 100 -2.062 11.928 -13.761 1.00 51.41 H new ATOM 0 HG CYS A 100 -1.871 14.918 -12.152 1.00 4.22 H new ATOM 1503 N VAL A 101 1.551 12.794 -11.682 1.00 21.11 N ATOM 1504 CA VAL A 101 2.644 13.652 -11.241 1.00 11.24 C ATOM 1505 C VAL A 101 3.868 13.486 -12.134 1.00 2.13 C ATOM 1506 O VAL A 101 3.945 12.551 -12.932 1.00 14.34 O ATOM 1507 CB VAL A 101 3.041 13.351 -9.783 1.00 54.11 C ATOM 1508 CG1 VAL A 101 1.877 13.630 -8.844 1.00 73.02 C ATOM 1509 CG2 VAL A 101 3.513 11.912 -9.647 1.00 24.35 C ATOM 0 H VAL A 101 1.848 11.900 -12.073 1.00 21.11 H new ATOM 0 HA VAL A 101 2.286 14.679 -11.308 1.00 11.24 H new ATOM 0 HB VAL A 101 3.865 14.008 -9.506 1.00 54.11 H new ATOM 0 HG11 VAL A 101 2.176 13.412 -7.819 1.00 73.02 H new ATOM 0 HG12 VAL A 101 1.589 14.678 -8.923 1.00 73.02 H new ATOM 0 HG13 VAL A 101 1.030 13.000 -9.117 1.00 73.02 H new ATOM 0 HG21 VAL A 101 3.790 11.716 -8.611 1.00 24.35 H new ATOM 0 HG22 VAL A 101 2.710 11.236 -9.942 1.00 24.35 H new ATOM 0 HG23 VAL A 101 4.378 11.751 -10.290 1.00 24.35 H new ATOM 1519 N ILE A 102 4.824 14.398 -11.994 1.00 10.44 N ATOM 1520 CA ILE A 102 6.046 14.352 -12.787 1.00 30.22 C ATOM 1521 C ILE A 102 7.085 13.441 -12.142 1.00 63.13 C ATOM 1522 O ILE A 102 7.248 13.433 -10.921 1.00 61.33 O ATOM 1523 CB ILE A 102 6.653 15.756 -12.969 1.00 73.41 C ATOM 1524 CG1 ILE A 102 5.663 16.673 -13.691 1.00 21.14 C ATOM 1525 CG2 ILE A 102 7.962 15.671 -13.739 1.00 24.35 C ATOM 1526 CD1 ILE A 102 5.398 16.267 -15.123 1.00 54.25 C ATOM 0 H ILE A 102 4.776 15.178 -11.339 1.00 10.44 H new ATOM 0 HA ILE A 102 5.773 13.954 -13.764 1.00 30.22 H new ATOM 0 HB ILE A 102 6.859 16.177 -11.985 1.00 73.41 H new ATOM 0 HG12 ILE A 102 4.721 16.680 -13.143 1.00 21.14 H new ATOM 0 HG13 ILE A 102 6.048 17.693 -13.676 1.00 21.14 H new ATOM 0 HG21 ILE A 102 8.379 16.671 -13.860 1.00 24.35 H new ATOM 0 HG22 ILE A 102 8.667 15.048 -13.190 1.00 24.35 H new ATOM 0 HG23 ILE A 102 7.779 15.233 -14.720 1.00 24.35 H new ATOM 0 HD11 ILE A 102 4.688 16.961 -15.572 1.00 54.25 H new ATOM 0 HD12 ILE A 102 6.331 16.288 -15.686 1.00 54.25 H new ATOM 0 HD13 ILE A 102 4.984 15.259 -15.145 1.00 54.25 H new ATOM 1538 N LEU A 103 7.788 12.676 -12.970 1.00 71.23 N ATOM 1539 CA LEU A 103 8.814 11.761 -12.482 1.00 4.52 C ATOM 1540 C LEU A 103 9.967 12.529 -11.842 1.00 64.45 C ATOM 1541 O LEU A 103 10.233 13.685 -12.170 1.00 12.43 O ATOM 1542 CB LEU A 103 9.338 10.892 -13.627 1.00 13.43 C ATOM 1543 CG LEU A 103 10.416 11.523 -14.509 1.00 74.33 C ATOM 1544 CD1 LEU A 103 10.915 10.522 -15.540 1.00 35.33 C ATOM 1545 CD2 LEU A 103 9.881 12.773 -15.193 1.00 24.02 C ATOM 0 H LEU A 103 7.666 12.671 -13.983 1.00 71.23 H new ATOM 0 HA LEU A 103 8.364 11.119 -11.725 1.00 4.52 H new ATOM 0 HB2 LEU A 103 9.737 9.970 -13.204 1.00 13.43 H new ATOM 0 HB3 LEU A 103 8.496 10.614 -14.260 1.00 13.43 H new ATOM 0 HG LEU A 103 11.255 11.810 -13.875 1.00 74.33 H new ATOM 0 HD11 LEU A 103 11.682 10.988 -16.159 1.00 35.33 H new ATOM 0 HD12 LEU A 103 11.337 9.655 -15.031 1.00 35.33 H new ATOM 0 HD13 LEU A 103 10.084 10.204 -16.170 1.00 35.33 H new ATOM 0 HD21 LEU A 103 10.662 13.209 -15.817 1.00 24.02 H new ATOM 0 HD22 LEU A 103 9.025 12.510 -15.814 1.00 24.02 H new ATOM 0 HD23 LEU A 103 9.573 13.497 -14.439 1.00 24.02 H new ATOM 1557 N PRO A 104 10.671 11.870 -10.910 1.00 5.22 N ATOM 1558 CA PRO A 104 11.810 12.470 -10.207 1.00 55.00 C ATOM 1559 C PRO A 104 13.016 12.667 -11.119 1.00 73.20 C ATOM 1560 O PRO A 104 13.620 13.739 -11.144 1.00 44.31 O ATOM 1561 CB PRO A 104 12.128 11.449 -9.112 1.00 1.22 C ATOM 1562 CG PRO A 104 11.621 10.153 -9.643 1.00 62.01 C ATOM 1563 CD PRO A 104 10.411 10.489 -10.470 1.00 1.21 C ATOM 0 HA PRO A 104 11.577 13.465 -9.827 1.00 55.00 H new ATOM 0 HB2 PRO A 104 13.199 11.403 -8.912 1.00 1.22 H new ATOM 0 HB3 PRO A 104 11.640 11.710 -8.173 1.00 1.22 H new ATOM 0 HG2 PRO A 104 12.380 9.655 -10.246 1.00 62.01 H new ATOM 0 HG3 PRO A 104 11.362 9.473 -8.831 1.00 62.01 H new ATOM 0 HD2 PRO A 104 10.302 9.811 -11.317 1.00 1.21 H new ATOM 0 HD3 PRO A 104 9.493 10.419 -9.886 1.00 1.21 H new ATOM 1571 N THR A 105 13.361 11.625 -11.869 1.00 25.44 N ATOM 1572 CA THR A 105 14.496 11.683 -12.782 1.00 31.23 C ATOM 1573 C THR A 105 14.292 10.752 -13.971 1.00 64.53 C ATOM 1574 O THR A 105 13.326 9.992 -14.017 1.00 72.44 O ATOM 1575 CB THR A 105 15.810 11.309 -12.070 1.00 73.41 C ATOM 1576 OG1 THR A 105 16.926 11.588 -12.923 1.00 14.22 O ATOM 1577 CG2 THR A 105 15.816 9.837 -11.684 1.00 50.12 C ATOM 0 H THR A 105 12.871 10.731 -11.862 1.00 25.44 H new ATOM 0 HA THR A 105 14.565 12.711 -13.137 1.00 31.23 H new ATOM 0 HB THR A 105 15.889 11.907 -11.162 1.00 73.41 H new ATOM 0 HG1 THR A 105 17.280 10.748 -13.283 1.00 14.22 H new ATOM 0 HG21 THR A 105 16.753 9.596 -11.183 1.00 50.12 H new ATOM 0 HG22 THR A 105 14.982 9.634 -11.012 1.00 50.12 H new ATOM 0 HG23 THR A 105 15.716 9.225 -12.581 1.00 50.12 H new ATOM 1585 N GLU A 106 15.210 10.816 -14.931 1.00 60.31 N ATOM 1586 CA GLU A 106 15.130 9.977 -16.121 1.00 73.02 C ATOM 1587 C GLU A 106 14.959 8.509 -15.742 1.00 21.24 C ATOM 1588 O GLU A 106 15.445 8.064 -14.701 1.00 73.41 O ATOM 1589 CB GLU A 106 16.384 10.151 -16.980 1.00 71.43 C ATOM 1590 CG GLU A 106 17.655 9.661 -16.308 1.00 21.45 C ATOM 1591 CD GLU A 106 18.544 10.797 -15.841 1.00 14.42 C ATOM 1592 OE1 GLU A 106 18.675 11.791 -16.586 1.00 11.11 O ATOM 1593 OE2 GLU A 106 19.107 10.693 -14.732 1.00 4.55 O ATOM 0 H GLU A 106 16.017 11.440 -14.908 1.00 60.31 H new ATOM 0 HA GLU A 106 14.258 10.289 -16.696 1.00 73.02 H new ATOM 0 HB2 GLU A 106 16.249 9.613 -17.918 1.00 71.43 H new ATOM 0 HB3 GLU A 106 16.499 11.206 -17.231 1.00 71.43 H new ATOM 0 HG2 GLU A 106 17.392 9.036 -15.455 1.00 21.45 H new ATOM 0 HG3 GLU A 106 18.211 9.033 -17.004 1.00 21.45 H new ATOM 1600 N THR A 107 14.265 7.760 -16.593 1.00 53.20 N ATOM 1601 CA THR A 107 14.028 6.343 -16.347 1.00 52.44 C ATOM 1602 C THR A 107 13.725 5.603 -17.645 1.00 42.54 C ATOM 1603 O THR A 107 13.639 6.212 -18.712 1.00 65.12 O ATOM 1604 CB THR A 107 12.861 6.131 -15.365 1.00 32.03 C ATOM 1605 OG1 THR A 107 12.809 4.760 -14.954 1.00 44.11 O ATOM 1606 CG2 THR A 107 11.537 6.524 -16.003 1.00 42.32 C ATOM 0 H THR A 107 13.857 8.111 -17.459 1.00 53.20 H new ATOM 0 HA THR A 107 14.941 5.942 -15.907 1.00 52.44 H new ATOM 0 HB THR A 107 13.029 6.765 -14.495 1.00 32.03 H new ATOM 0 HG1 THR A 107 12.065 4.634 -14.328 1.00 44.11 H new ATOM 0 HG21 THR A 107 10.728 6.365 -15.290 1.00 42.32 H new ATOM 0 HG22 THR A 107 11.568 7.576 -16.288 1.00 42.32 H new ATOM 0 HG23 THR A 107 11.365 5.913 -16.889 1.00 42.32 H new ATOM 1614 N ARG A 108 13.564 4.288 -17.547 1.00 74.04 N ATOM 1615 CA ARG A 108 13.271 3.465 -18.715 1.00 12.13 C ATOM 1616 C ARG A 108 11.766 3.268 -18.877 1.00 44.15 C ATOM 1617 O ARG A 108 11.006 3.399 -17.919 1.00 63.51 O ATOM 1618 CB ARG A 108 13.964 2.107 -18.594 1.00 72.44 C ATOM 1619 CG ARG A 108 14.249 1.448 -19.934 1.00 22.30 C ATOM 1620 CD ARG A 108 15.389 2.141 -20.664 1.00 22.50 C ATOM 1621 NE ARG A 108 16.073 1.242 -21.590 1.00 74.41 N ATOM 1622 CZ ARG A 108 16.955 1.651 -22.495 1.00 31.41 C ATOM 1623 NH1 ARG A 108 17.260 2.937 -22.594 1.00 54.23 N ATOM 1624 NH2 ARG A 108 17.535 0.772 -23.302 1.00 60.23 N ATOM 0 H ARG A 108 13.631 3.769 -16.671 1.00 74.04 H new ATOM 0 HA ARG A 108 13.649 3.981 -19.597 1.00 12.13 H new ATOM 0 HB2 ARG A 108 14.902 2.234 -18.054 1.00 72.44 H new ATOM 0 HB3 ARG A 108 13.340 1.442 -17.997 1.00 72.44 H new ATOM 0 HG2 ARG A 108 14.499 0.399 -19.779 1.00 22.30 H new ATOM 0 HG3 ARG A 108 13.351 1.473 -20.552 1.00 22.30 H new ATOM 0 HD2 ARG A 108 15.000 2.999 -21.213 1.00 22.50 H new ATOM 0 HD3 ARG A 108 16.104 2.525 -19.937 1.00 22.50 H new ATOM 0 HE ARG A 108 15.862 0.245 -21.539 1.00 74.41 H new ATOM 0 HH11 ARG A 108 16.817 3.615 -21.974 1.00 54.23 H new ATOM 0 HH12 ARG A 108 17.938 3.248 -23.290 1.00 54.23 H new ATOM 0 HH21 ARG A 108 17.304 -0.219 -23.228 1.00 60.23 H new ATOM 0 HH22 ARG A 108 18.212 1.087 -23.997 1.00 60.23 H new ATOM 1638 N ASN A 109 11.345 2.954 -20.098 1.00 73.31 N ATOM 1639 CA ASN A 109 9.931 2.740 -20.387 1.00 22.22 C ATOM 1640 C ASN A 109 9.738 1.520 -21.282 1.00 75.05 C ATOM 1641 O ASN A 109 9.885 1.603 -22.502 1.00 40.41 O ATOM 1642 CB ASN A 109 9.333 3.978 -21.057 1.00 10.54 C ATOM 1643 CG ASN A 109 7.825 3.893 -21.188 1.00 14.33 C ATOM 1644 OD1 ASN A 109 7.128 3.522 -20.243 1.00 2.34 O ATOM 1645 ND2 ASN A 109 7.313 4.237 -22.364 1.00 14.23 N ATOM 0 H ASN A 109 11.962 2.842 -20.903 1.00 73.31 H new ATOM 0 HA ASN A 109 9.415 2.562 -19.443 1.00 22.22 H new ATOM 0 HB2 ASN A 109 9.595 4.863 -20.478 1.00 10.54 H new ATOM 0 HB3 ASN A 109 9.774 4.102 -22.046 1.00 10.54 H new ATOM 0 HD21 ASN A 109 6.304 4.200 -22.512 1.00 14.23 H new ATOM 0 HD22 ASN A 109 7.928 4.539 -23.120 1.00 14.23 H new ATOM 1652 N ILE A 110 9.406 0.389 -20.669 1.00 11.01 N ATOM 1653 CA ILE A 110 9.190 -0.847 -21.411 1.00 23.04 C ATOM 1654 C ILE A 110 7.915 -1.547 -20.953 1.00 62.33 C ATOM 1655 O ILE A 110 7.606 -1.580 -19.762 1.00 54.24 O ATOM 1656 CB ILE A 110 10.379 -1.814 -21.252 1.00 13.44 C ATOM 1657 CG1 ILE A 110 11.669 -1.156 -21.746 1.00 11.13 C ATOM 1658 CG2 ILE A 110 10.114 -3.107 -22.008 1.00 22.25 C ATOM 1659 CD1 ILE A 110 12.913 -1.957 -21.434 1.00 64.42 C ATOM 0 H ILE A 110 9.281 0.303 -19.660 1.00 11.01 H new ATOM 0 HA ILE A 110 9.094 -0.572 -22.461 1.00 23.04 H new ATOM 0 HB ILE A 110 10.497 -2.052 -20.195 1.00 13.44 H new ATOM 0 HG12 ILE A 110 11.602 -1.008 -22.824 1.00 11.13 H new ATOM 0 HG13 ILE A 110 11.760 -0.168 -21.294 1.00 11.13 H new ATOM 0 HG21 ILE A 110 10.963 -3.780 -21.886 1.00 22.25 H new ATOM 0 HG22 ILE A 110 9.215 -3.581 -21.614 1.00 22.25 H new ATOM 0 HG23 ILE A 110 9.974 -2.887 -23.066 1.00 22.25 H new ATOM 0 HD11 ILE A 110 13.789 -1.431 -21.813 1.00 64.42 H new ATOM 0 HD12 ILE A 110 13.004 -2.083 -20.355 1.00 64.42 H new ATOM 0 HD13 ILE A 110 12.844 -2.936 -21.909 1.00 64.42 H new ATOM 1671 N SER A 111 7.180 -2.108 -21.908 1.00 32.52 N ATOM 1672 CA SER A 111 5.937 -2.807 -21.604 1.00 34.34 C ATOM 1673 C SER A 111 6.188 -4.298 -21.398 1.00 13.03 C ATOM 1674 O SER A 111 6.956 -4.917 -22.133 1.00 65.35 O ATOM 1675 CB SER A 111 4.922 -2.600 -22.730 1.00 32.24 C ATOM 1676 OG SER A 111 4.540 -1.239 -22.828 1.00 45.05 O ATOM 0 H SER A 111 7.424 -2.092 -22.898 1.00 32.52 H new ATOM 0 HA SER A 111 5.533 -2.393 -20.680 1.00 34.34 H new ATOM 0 HB2 SER A 111 5.351 -2.930 -23.676 1.00 32.24 H new ATOM 0 HB3 SER A 111 4.041 -3.216 -22.548 1.00 32.24 H new ATOM 0 HG SER A 111 3.892 -1.133 -23.556 1.00 45.05 H new ATOM 1682 N PHE A 112 5.534 -4.868 -20.391 1.00 75.24 N ATOM 1683 CA PHE A 112 5.686 -6.286 -20.086 1.00 75.15 C ATOM 1684 C PHE A 112 4.717 -6.713 -18.987 1.00 42.11 C ATOM 1685 O PHE A 112 4.051 -5.879 -18.373 1.00 23.53 O ATOM 1686 CB PHE A 112 7.124 -6.586 -19.660 1.00 31.44 C ATOM 1687 CG PHE A 112 7.459 -6.083 -18.285 1.00 13.13 C ATOM 1688 CD1 PHE A 112 7.442 -4.726 -18.007 1.00 10.54 C ATOM 1689 CD2 PHE A 112 7.790 -6.967 -17.270 1.00 55.33 C ATOM 1690 CE1 PHE A 112 7.750 -4.260 -16.743 1.00 4.35 C ATOM 1691 CE2 PHE A 112 8.098 -6.507 -16.004 1.00 45.31 C ATOM 1692 CZ PHE A 112 8.078 -5.151 -15.740 1.00 31.33 C ATOM 0 H PHE A 112 4.894 -4.370 -19.773 1.00 75.24 H new ATOM 0 HA PHE A 112 5.456 -6.853 -20.988 1.00 75.15 H new ATOM 0 HB2 PHE A 112 7.287 -7.663 -19.694 1.00 31.44 H new ATOM 0 HB3 PHE A 112 7.809 -6.137 -20.379 1.00 31.44 H new ATOM 0 HD1 PHE A 112 7.185 -4.024 -18.787 1.00 10.54 H new ATOM 0 HD2 PHE A 112 7.807 -8.028 -17.471 1.00 55.33 H new ATOM 0 HE1 PHE A 112 7.734 -3.199 -16.540 1.00 4.35 H new ATOM 0 HE2 PHE A 112 8.354 -7.206 -15.222 1.00 45.31 H new ATOM 0 HZ PHE A 112 8.318 -4.789 -14.751 1.00 31.33 H new ATOM 1702 N VAL A 113 4.644 -8.018 -18.745 1.00 2.11 N ATOM 1703 CA VAL A 113 3.758 -8.557 -17.720 1.00 4.11 C ATOM 1704 C VAL A 113 4.186 -8.102 -16.329 1.00 64.12 C ATOM 1705 O VAL A 113 5.126 -7.321 -16.181 1.00 3.40 O ATOM 1706 CB VAL A 113 3.727 -10.096 -17.758 1.00 24.33 C ATOM 1707 CG1 VAL A 113 3.182 -10.587 -19.090 1.00 71.11 C ATOM 1708 CG2 VAL A 113 5.115 -10.663 -17.499 1.00 62.21 C ATOM 0 H VAL A 113 5.188 -8.721 -19.245 1.00 2.11 H new ATOM 0 HA VAL A 113 2.759 -8.176 -17.932 1.00 4.11 H new ATOM 0 HB VAL A 113 3.062 -10.448 -16.969 1.00 24.33 H new ATOM 0 HG11 VAL A 113 3.168 -11.677 -19.098 1.00 71.11 H new ATOM 0 HG12 VAL A 113 2.169 -10.210 -19.230 1.00 71.11 H new ATOM 0 HG13 VAL A 113 3.818 -10.227 -19.898 1.00 71.11 H new ATOM 0 HG21 VAL A 113 5.075 -11.752 -17.529 1.00 62.21 H new ATOM 0 HG22 VAL A 113 5.803 -10.304 -18.264 1.00 62.21 H new ATOM 0 HG23 VAL A 113 5.463 -10.340 -16.518 1.00 62.21 H new ATOM 1718 N LYS A 114 3.491 -8.597 -15.311 1.00 11.31 N ATOM 1719 CA LYS A 114 3.799 -8.244 -13.930 1.00 52.41 C ATOM 1720 C LYS A 114 5.171 -8.774 -13.526 1.00 35.22 C ATOM 1721 O LYS A 114 5.855 -9.419 -14.319 1.00 4.41 O ATOM 1722 CB LYS A 114 2.728 -8.799 -12.989 1.00 34.21 C ATOM 1723 CG LYS A 114 1.580 -7.836 -12.738 1.00 30.42 C ATOM 1724 CD LYS A 114 0.879 -8.135 -11.423 1.00 4.11 C ATOM 1725 CE LYS A 114 0.212 -6.893 -10.853 1.00 15.13 C ATOM 1726 NZ LYS A 114 -1.055 -6.568 -11.565 1.00 35.14 N ATOM 0 H LYS A 114 2.710 -9.244 -15.416 1.00 11.31 H new ATOM 0 HA LYS A 114 3.812 -7.157 -13.853 1.00 52.41 H new ATOM 0 HB2 LYS A 114 2.331 -9.723 -13.409 1.00 34.21 H new ATOM 0 HB3 LYS A 114 3.191 -9.055 -12.036 1.00 34.21 H new ATOM 0 HG2 LYS A 114 1.958 -6.814 -12.726 1.00 30.42 H new ATOM 0 HG3 LYS A 114 0.863 -7.901 -13.557 1.00 30.42 H new ATOM 0 HD2 LYS A 114 0.131 -8.913 -11.577 1.00 4.11 H new ATOM 0 HD3 LYS A 114 1.601 -8.524 -10.705 1.00 4.11 H new ATOM 0 HE2 LYS A 114 0.005 -7.046 -9.794 1.00 15.13 H new ATOM 0 HE3 LYS A 114 0.896 -6.048 -10.925 1.00 15.13 H new ATOM 0 HZ1 LYS A 114 -1.479 -5.715 -11.147 1.00 35.14 H new ATOM 0 HZ2 LYS A 114 -0.854 -6.397 -12.571 1.00 35.14 H new ATOM 0 HZ3 LYS A 114 -1.718 -7.364 -11.475 1.00 35.14 H new ATOM 1740 N ASN A 115 5.564 -8.500 -12.286 1.00 44.24 N ATOM 1741 CA ASN A 115 6.854 -8.951 -11.777 1.00 3.22 C ATOM 1742 C ASN A 115 6.689 -10.179 -10.887 1.00 75.35 C ATOM 1743 O ASN A 115 5.588 -10.713 -10.747 1.00 62.14 O ATOM 1744 CB ASN A 115 7.537 -7.828 -10.993 1.00 21.32 C ATOM 1745 CG ASN A 115 7.927 -6.660 -11.877 1.00 41.33 C ATOM 1746 OD1 ASN A 115 7.436 -5.544 -11.704 1.00 32.34 O ATOM 1747 ND2 ASN A 115 8.815 -6.911 -12.833 1.00 34.45 N ATOM 0 H ASN A 115 5.008 -7.968 -11.616 1.00 44.24 H new ATOM 0 HA ASN A 115 7.477 -9.223 -12.629 1.00 3.22 H new ATOM 0 HB2 ASN A 115 6.867 -7.478 -10.207 1.00 21.32 H new ATOM 0 HB3 ASN A 115 8.427 -8.221 -10.501 1.00 21.32 H new ATOM 0 HD21 ASN A 115 9.115 -6.164 -13.459 1.00 34.45 H new ATOM 0 HD22 ASN A 115 9.196 -7.851 -12.941 1.00 34.45 H new ATOM 1754 N SER A 116 7.789 -10.622 -10.288 1.00 62.22 N ATOM 1755 CA SER A 116 7.767 -11.790 -9.415 1.00 10.33 C ATOM 1756 C SER A 116 8.577 -11.535 -8.147 1.00 61.32 C ATOM 1757 O SER A 116 9.023 -12.471 -7.486 1.00 31.25 O ATOM 1758 CB SER A 116 8.319 -13.013 -10.149 1.00 74.13 C ATOM 1759 OG SER A 116 7.716 -13.157 -11.424 1.00 24.11 O ATOM 0 H SER A 116 8.707 -10.190 -10.391 1.00 62.22 H new ATOM 0 HA SER A 116 6.732 -11.982 -9.132 1.00 10.33 H new ATOM 0 HB2 SER A 116 9.399 -12.916 -10.263 1.00 74.13 H new ATOM 0 HB3 SER A 116 8.140 -13.909 -9.555 1.00 74.13 H new ATOM 0 HG SER A 116 8.087 -13.945 -11.874 1.00 24.11 H new TER 1765 SER A 116