USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 516 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 61 SER OG : rot -27:sc= 0.0534 USER MOD Set 1.2: A 68 GLN : amide:sc= -0.101 K(o=-0.048,f=-1) USER MOD Single : A 1 ASN : amide:sc= -0.0397 K(o=-0.04,f=-0.66) USER MOD Single : A 1 ASN N :NH3+ -167:sc= 0 (180deg=-0.0593) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -38:sc= 0.0392 USER MOD Single : A 29 THR OG1 : rot 107:sc= 0.761 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.585 K(o=-0.59,f=-1.5) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 172:sc=-0.00726 (180deg=-0.0962) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= -0.144 (180deg=-1.05) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HE2:sc= 0.13 K(o=0.13,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 9.816 42.007 30.559 1.00 20.00 N ATOM 2 CA ASN A 1 11.265 42.017 30.279 1.00 20.00 C ATOM 3 C ASN A 1 11.835 40.609 30.467 1.00 20.00 C ATOM 4 O ASN A 1 12.481 40.308 31.472 1.00 20.00 O ATOM 5 CB ASN A 1 11.997 43.067 31.132 1.00 20.00 C ATOM 6 CG ASN A 1 11.436 44.483 30.988 1.00 20.00 C ATOM 7 OD1 ASN A 1 10.825 44.832 29.981 1.00 20.00 O ATOM 8 ND2 ASN A 1 11.646 45.314 32.007 1.00 20.00 N ATOM 0 H1 ASN A 1 9.391 42.895 30.223 1.00 20.00 H new ATOM 0 H2 ASN A 1 9.373 41.204 30.068 1.00 20.00 H new ATOM 0 H3 ASN A 1 9.661 41.915 31.583 1.00 20.00 H new ATOM 0 HA ASN A 1 11.425 42.309 29.241 1.00 20.00 H new ATOM 0 HB2 ASN A 1 11.944 42.771 32.180 1.00 20.00 H new ATOM 0 HB3 ASN A 1 13.051 43.075 30.856 1.00 20.00 H new ATOM 0 HD21 ASN A 1 11.296 46.271 31.965 1.00 20.00 H new ATOM 0 HD22 ASN A 1 12.157 44.994 32.829 1.00 20.00 H new ATOM 17 N GLU A 2 11.555 39.742 29.487 1.00 20.00 N ATOM 18 CA GLU A 2 11.880 38.318 29.518 1.00 20.00 C ATOM 19 C GLU A 2 13.390 38.090 29.456 1.00 20.00 C ATOM 20 O GLU A 2 13.913 37.241 30.171 1.00 20.00 O ATOM 21 CB GLU A 2 11.163 37.629 28.349 1.00 20.00 C ATOM 22 CG GLU A 2 11.132 36.104 28.507 1.00 20.00 C ATOM 23 CD GLU A 2 10.329 35.637 29.724 1.00 20.00 C ATOM 24 OE1 GLU A 2 10.853 34.770 30.458 1.00 20.00 O ATOM 25 OE2 GLU A 2 9.196 36.138 29.903 1.00 20.00 O ATOM 0 H GLU A 2 11.083 40.023 28.628 1.00 20.00 H new ATOM 0 HA GLU A 2 11.539 37.887 30.459 1.00 20.00 H new ATOM 0 HB2 GLU A 2 10.143 38.006 28.278 1.00 20.00 H new ATOM 0 HB3 GLU A 2 11.664 37.886 27.416 1.00 20.00 H new ATOM 0 HG2 GLU A 2 10.705 35.661 27.607 1.00 20.00 H new ATOM 0 HG3 GLU A 2 12.154 35.734 28.591 1.00 20.00 H new ATOM 32 N CYS A 3 14.087 38.866 28.625 1.00 20.00 N ATOM 33 CA CYS A 3 15.514 38.745 28.388 1.00 20.00 C ATOM 34 C CYS A 3 16.344 39.195 29.598 1.00 20.00 C ATOM 35 O CYS A 3 17.357 38.568 29.907 1.00 20.00 O ATOM 36 CB CYS A 3 15.814 39.581 27.149 1.00 20.00 C ATOM 37 SG CYS A 3 17.431 39.326 26.409 1.00 20.00 S ATOM 0 H CYS A 3 13.655 39.616 28.085 1.00 20.00 H new ATOM 0 HA CYS A 3 15.791 37.702 28.231 1.00 20.00 H new ATOM 0 HB2 CYS A 3 15.054 39.369 26.397 1.00 20.00 H new ATOM 0 HB3 CYS A 3 15.717 40.634 27.412 1.00 20.00 H new ATOM 42 N VAL A 4 15.896 40.250 30.296 1.00 20.00 N ATOM 43 CA VAL A 4 16.523 40.782 31.507 1.00 20.00 C ATOM 44 C VAL A 4 16.358 39.804 32.678 1.00 20.00 C ATOM 45 O VAL A 4 17.294 39.639 33.459 1.00 20.00 O ATOM 46 CB VAL A 4 15.930 42.169 31.850 1.00 20.00 C ATOM 47 CG1 VAL A 4 16.572 42.772 33.110 1.00 20.00 C ATOM 48 CG2 VAL A 4 16.121 43.166 30.695 1.00 20.00 C ATOM 0 H VAL A 4 15.062 40.769 30.022 1.00 20.00 H new ATOM 0 HA VAL A 4 17.591 40.903 31.324 1.00 20.00 H new ATOM 0 HB VAL A 4 14.867 42.004 32.026 1.00 20.00 H new ATOM 0 HG11 VAL A 4 16.127 43.746 33.315 1.00 20.00 H new ATOM 0 HG12 VAL A 4 16.401 42.109 33.958 1.00 20.00 H new ATOM 0 HG13 VAL A 4 17.644 42.889 32.952 1.00 20.00 H new ATOM 0 HG21 VAL A 4 15.692 44.129 30.971 1.00 20.00 H new ATOM 0 HG22 VAL A 4 17.185 43.287 30.491 1.00 20.00 H new ATOM 0 HG23 VAL A 4 15.621 42.789 29.803 1.00 20.00 H new ATOM 58 N SER A 5 15.199 39.133 32.780 1.00 20.00 N ATOM 59 CA SER A 5 14.896 38.139 33.809 1.00 20.00 C ATOM 60 C SER A 5 15.898 36.975 33.800 1.00 20.00 C ATOM 61 O SER A 5 16.277 36.491 34.867 1.00 20.00 O ATOM 62 CB SER A 5 13.461 37.636 33.603 1.00 20.00 C ATOM 63 OG SER A 5 13.117 36.631 34.534 1.00 20.00 O ATOM 0 H SER A 5 14.428 39.275 32.127 1.00 20.00 H new ATOM 0 HA SER A 5 14.984 38.610 34.788 1.00 20.00 H new ATOM 0 HB2 SER A 5 12.767 38.471 33.697 1.00 20.00 H new ATOM 0 HB3 SER A 5 13.355 37.245 32.591 1.00 20.00 H new ATOM 0 HG SER A 5 12.196 36.337 34.373 1.00 20.00 H new ATOM 69 N LYS A 6 16.344 36.547 32.610 1.00 20.00 N ATOM 70 CA LYS A 6 17.282 35.442 32.426 1.00 20.00 C ATOM 71 C LYS A 6 18.722 35.868 32.733 1.00 20.00 C ATOM 72 O LYS A 6 19.425 35.154 33.448 1.00 20.00 O ATOM 73 CB LYS A 6 17.173 34.900 30.994 1.00 20.00 C ATOM 74 CG LYS A 6 15.756 34.439 30.600 1.00 20.00 C ATOM 75 CD LYS A 6 15.332 33.123 31.260 1.00 20.00 C ATOM 76 CE LYS A 6 13.919 32.774 30.790 1.00 20.00 C ATOM 77 NZ LYS A 6 13.385 31.600 31.499 1.00 20.00 N ATOM 0 H LYS A 6 16.052 36.973 31.731 1.00 20.00 H new ATOM 0 HA LYS A 6 17.019 34.652 33.130 1.00 20.00 H new ATOM 0 HB2 LYS A 6 17.498 35.674 30.299 1.00 20.00 H new ATOM 0 HB3 LYS A 6 17.860 34.062 30.881 1.00 20.00 H new ATOM 0 HG2 LYS A 6 15.042 35.217 30.870 1.00 20.00 H new ATOM 0 HG3 LYS A 6 15.709 34.324 29.517 1.00 20.00 H new ATOM 0 HD2 LYS A 6 16.027 32.326 30.995 1.00 20.00 H new ATOM 0 HD3 LYS A 6 15.357 33.219 32.345 1.00 20.00 H new ATOM 0 HE2 LYS A 6 13.260 33.627 30.951 1.00 20.00 H new ATOM 0 HE3 LYS A 6 13.930 32.578 29.718 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 12.426 31.393 31.154 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 14.000 30.780 31.325 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 13.351 31.797 32.520 1.00 20.00 H new ATOM 91 N GLY A 7 19.150 37.027 32.212 1.00 20.00 N ATOM 92 CA GLY A 7 20.477 37.587 32.429 1.00 20.00 C ATOM 93 C GLY A 7 21.557 36.852 31.632 1.00 20.00 C ATOM 94 O GLY A 7 22.459 36.259 32.223 1.00 20.00 O ATOM 0 H GLY A 7 18.563 37.609 31.615 1.00 20.00 H new ATOM 0 HA2 GLY A 7 20.475 38.640 32.147 1.00 20.00 H new ATOM 0 HA3 GLY A 7 20.719 37.542 33.491 1.00 20.00 H new ATOM 98 N PHE A 8 21.463 36.909 30.298 1.00 20.00 N ATOM 99 CA PHE A 8 22.478 36.450 29.355 1.00 20.00 C ATOM 100 C PHE A 8 23.351 37.648 28.947 1.00 20.00 C ATOM 101 O PHE A 8 24.203 38.068 29.731 1.00 20.00 O ATOM 102 CB PHE A 8 21.782 35.745 28.178 1.00 20.00 C ATOM 103 CG PHE A 8 21.153 34.411 28.517 1.00 20.00 C ATOM 104 CD1 PHE A 8 19.754 34.283 28.575 1.00 20.00 C ATOM 105 CD2 PHE A 8 21.970 33.289 28.748 1.00 20.00 C ATOM 106 CE1 PHE A 8 19.176 33.035 28.859 1.00 20.00 C ATOM 107 CE2 PHE A 8 21.390 32.048 29.057 1.00 20.00 C ATOM 108 CZ PHE A 8 19.993 31.920 29.110 1.00 20.00 C ATOM 0 H PHE A 8 20.641 37.293 29.831 1.00 20.00 H new ATOM 0 HA PHE A 8 23.149 35.715 29.800 1.00 20.00 H new ATOM 0 HB2 PHE A 8 21.009 36.405 27.784 1.00 20.00 H new ATOM 0 HB3 PHE A 8 22.510 35.595 27.381 1.00 20.00 H new ATOM 0 HD1 PHE A 8 19.125 35.143 28.401 1.00 20.00 H new ATOM 0 HD2 PHE A 8 23.044 33.382 28.688 1.00 20.00 H new ATOM 0 HE1 PHE A 8 18.101 32.932 28.885 1.00 20.00 H new ATOM 0 HE2 PHE A 8 22.019 31.192 29.254 1.00 20.00 H new ATOM 0 HZ PHE A 8 19.547 30.965 29.344 1.00 20.00 H new ATOM 118 N GLY A 9 23.129 38.212 27.752 1.00 20.00 N ATOM 119 CA GLY A 9 23.851 39.359 27.219 1.00 20.00 C ATOM 120 C GLY A 9 23.070 40.036 26.093 1.00 20.00 C ATOM 121 O GLY A 9 22.135 39.457 25.539 1.00 20.00 O ATOM 0 H GLY A 9 22.415 37.864 27.112 1.00 20.00 H new ATOM 0 HA2 GLY A 9 24.037 40.077 28.018 1.00 20.00 H new ATOM 0 HA3 GLY A 9 24.824 39.038 26.847 1.00 20.00 H new ATOM 125 N CYS A 10 23.494 41.258 25.743 1.00 20.00 N ATOM 126 CA CYS A 10 22.894 42.094 24.708 1.00 20.00 C ATOM 127 C CYS A 10 23.955 42.513 23.689 1.00 20.00 C ATOM 128 O CYS A 10 24.158 43.702 23.436 1.00 20.00 O ATOM 129 CB CYS A 10 22.158 43.289 25.335 1.00 20.00 C ATOM 130 SG CYS A 10 20.868 42.865 26.533 1.00 20.00 S ATOM 0 H CYS A 10 24.294 41.703 26.193 1.00 20.00 H new ATOM 0 HA CYS A 10 22.142 41.519 24.167 1.00 20.00 H new ATOM 0 HB2 CYS A 10 22.891 43.928 25.827 1.00 20.00 H new ATOM 0 HB3 CYS A 10 21.708 43.877 24.535 1.00 20.00 H new ATOM 135 N LEU A 11 24.630 41.517 23.100 1.00 20.00 N ATOM 136 CA LEU A 11 25.583 41.707 22.012 1.00 20.00 C ATOM 137 C LEU A 11 24.847 42.204 20.755 1.00 20.00 C ATOM 138 O LEU A 11 23.664 41.902 20.585 1.00 20.00 O ATOM 139 CB LEU A 11 26.292 40.373 21.696 1.00 20.00 C ATOM 140 CG LEU A 11 27.449 39.956 22.630 1.00 20.00 C ATOM 141 CD1 LEU A 11 28.622 40.944 22.575 1.00 20.00 C ATOM 142 CD2 LEU A 11 27.010 39.755 24.086 1.00 20.00 C ATOM 0 H LEU A 11 24.523 40.541 23.376 1.00 20.00 H new ATOM 0 HA LEU A 11 26.323 42.447 22.316 1.00 20.00 H new ATOM 0 HB2 LEU A 11 25.544 39.580 21.709 1.00 20.00 H new ATOM 0 HB3 LEU A 11 26.681 40.428 20.679 1.00 20.00 H new ATOM 0 HG LEU A 11 27.783 38.991 22.250 1.00 20.00 H new ATOM 0 HD11 LEU A 11 29.411 40.609 23.248 1.00 20.00 H new ATOM 0 HD12 LEU A 11 29.009 40.993 21.557 1.00 20.00 H new ATOM 0 HD13 LEU A 11 28.280 41.933 22.881 1.00 20.00 H new ATOM 0 HD21 LEU A 11 27.870 39.463 24.688 1.00 20.00 H new ATOM 0 HD22 LEU A 11 26.595 40.686 24.473 1.00 20.00 H new ATOM 0 HD23 LEU A 11 26.252 38.973 24.133 1.00 20.00 H new ATOM 154 N PRO A 12 25.536 42.914 19.840 1.00 20.00 N ATOM 155 CA PRO A 12 24.993 43.266 18.535 1.00 20.00 C ATOM 156 C PRO A 12 24.866 42.017 17.654 1.00 20.00 C ATOM 157 O PRO A 12 25.520 41.005 17.903 1.00 20.00 O ATOM 158 CB PRO A 12 25.965 44.297 17.964 1.00 20.00 C ATOM 159 CG PRO A 12 27.302 43.910 18.589 1.00 20.00 C ATOM 160 CD PRO A 12 26.907 43.381 19.968 1.00 20.00 C ATOM 0 HA PRO A 12 23.986 43.680 18.592 1.00 20.00 H new ATOM 0 HB2 PRO A 12 26.003 44.253 16.876 1.00 20.00 H new ATOM 0 HB3 PRO A 12 25.676 45.313 18.232 1.00 20.00 H new ATOM 0 HG2 PRO A 12 27.817 43.151 18.000 1.00 20.00 H new ATOM 0 HG3 PRO A 12 27.974 44.765 18.664 1.00 20.00 H new ATOM 0 HD2 PRO A 12 27.567 42.572 20.279 1.00 20.00 H new ATOM 0 HD3 PRO A 12 26.984 44.164 20.723 1.00 20.00 H new ATOM 168 N GLN A 13 24.027 42.097 16.616 1.00 20.00 N ATOM 169 CA GLN A 13 23.742 40.981 15.712 1.00 20.00 C ATOM 170 C GLN A 13 24.998 40.508 14.965 1.00 20.00 C ATOM 171 O GLN A 13 25.175 39.304 14.791 1.00 20.00 O ATOM 172 CB GLN A 13 22.630 41.381 14.728 1.00 20.00 C ATOM 173 CG GLN A 13 21.262 41.486 15.421 1.00 20.00 C ATOM 174 CD GLN A 13 20.204 42.092 14.502 1.00 20.00 C ATOM 175 OE1 GLN A 13 19.713 41.434 13.589 1.00 20.00 O ATOM 176 NE2 GLN A 13 19.834 43.348 14.741 1.00 20.00 N ATOM 0 H GLN A 13 23.521 42.950 16.378 1.00 20.00 H new ATOM 0 HA GLN A 13 23.401 40.138 16.313 1.00 20.00 H new ATOM 0 HB2 GLN A 13 22.879 42.338 14.269 1.00 20.00 H new ATOM 0 HB3 GLN A 13 22.575 40.646 13.925 1.00 20.00 H new ATOM 0 HG2 GLN A 13 20.940 40.495 15.741 1.00 20.00 H new ATOM 0 HG3 GLN A 13 21.356 42.097 16.319 1.00 20.00 H new ATOM 0 HE21 GLN A 13 20.261 43.868 15.507 1.00 20.00 H new ATOM 0 HE22 GLN A 13 19.124 43.790 14.158 1.00 20.00 H new ATOM 185 N SER A 14 25.891 41.425 14.566 1.00 20.00 N ATOM 186 CA SER A 14 27.136 41.105 13.872 1.00 20.00 C ATOM 187 C SER A 14 28.165 40.373 14.750 1.00 20.00 C ATOM 188 O SER A 14 29.023 39.681 14.202 1.00 20.00 O ATOM 189 CB SER A 14 27.731 42.401 13.316 1.00 20.00 C ATOM 190 OG SER A 14 26.903 42.922 12.297 1.00 20.00 O ATOM 0 H SER A 14 25.762 42.425 14.721 1.00 20.00 H new ATOM 0 HA SER A 14 26.894 40.410 13.068 1.00 20.00 H new ATOM 0 HB2 SER A 14 27.838 43.133 14.117 1.00 20.00 H new ATOM 0 HB3 SER A 14 28.729 42.211 12.922 1.00 20.00 H new ATOM 0 HG SER A 14 27.293 43.752 11.951 1.00 20.00 H new ATOM 196 N ASP A 15 28.070 40.479 16.086 1.00 20.00 N ATOM 197 CA ASP A 15 28.923 39.765 17.037 1.00 20.00 C ATOM 198 C ASP A 15 28.277 38.433 17.447 1.00 20.00 C ATOM 199 O ASP A 15 28.929 37.393 17.366 1.00 20.00 O ATOM 200 CB ASP A 15 29.181 40.666 18.254 1.00 20.00 C ATOM 201 CG ASP A 15 30.269 40.120 19.182 1.00 20.00 C ATOM 202 OD1 ASP A 15 31.367 40.719 19.191 1.00 20.00 O ATOM 203 OD2 ASP A 15 29.995 39.126 19.888 1.00 20.00 O ATOM 0 H ASP A 15 27.381 41.078 16.540 1.00 20.00 H new ATOM 0 HA ASP A 15 29.878 39.528 16.569 1.00 20.00 H new ATOM 0 HB2 ASP A 15 29.470 41.659 17.909 1.00 20.00 H new ATOM 0 HB3 ASP A 15 28.255 40.781 18.817 1.00 20.00 H new ATOM 208 N CYS A 16 27.004 38.469 17.872 1.00 20.00 N ATOM 209 CA CYS A 16 26.226 37.319 18.312 1.00 20.00 C ATOM 210 C CYS A 16 26.039 36.310 17.165 1.00 20.00 C ATOM 211 O CYS A 16 25.420 36.666 16.158 1.00 20.00 O ATOM 212 CB CYS A 16 24.860 37.782 18.831 1.00 20.00 C ATOM 213 SG CYS A 16 23.925 36.452 19.632 1.00 20.00 S ATOM 0 H CYS A 16 26.475 39.340 17.917 1.00 20.00 H new ATOM 0 HA CYS A 16 26.769 36.824 19.117 1.00 20.00 H new ATOM 0 HB2 CYS A 16 25.003 38.597 19.540 1.00 20.00 H new ATOM 0 HB3 CYS A 16 24.277 38.181 18.001 1.00 20.00 H new ATOM 218 N PRO A 17 26.531 35.059 17.287 1.00 20.00 N ATOM 219 CA PRO A 17 26.301 34.028 16.282 1.00 20.00 C ATOM 220 C PRO A 17 24.818 33.628 16.262 1.00 20.00 C ATOM 221 O PRO A 17 24.098 33.799 17.246 1.00 20.00 O ATOM 222 CB PRO A 17 27.229 32.874 16.667 1.00 20.00 C ATOM 223 CG PRO A 17 27.339 33.000 18.183 1.00 20.00 C ATOM 224 CD PRO A 17 27.268 34.510 18.415 1.00 20.00 C ATOM 0 HA PRO A 17 26.521 34.364 15.269 1.00 20.00 H new ATOM 0 HB2 PRO A 17 26.814 31.910 16.373 1.00 20.00 H new ATOM 0 HB3 PRO A 17 28.202 32.963 16.185 1.00 20.00 H new ATOM 0 HG2 PRO A 17 26.529 32.476 18.690 1.00 20.00 H new ATOM 0 HG3 PRO A 17 28.273 32.579 18.555 1.00 20.00 H new ATOM 0 HD2 PRO A 17 26.766 34.736 19.356 1.00 20.00 H new ATOM 0 HD3 PRO A 17 28.267 34.942 18.475 1.00 20.00 H new ATOM 232 N GLN A 18 24.364 33.107 15.118 1.00 20.00 N ATOM 233 CA GLN A 18 22.944 32.937 14.784 1.00 20.00 C ATOM 234 C GLN A 18 22.288 31.778 15.552 1.00 20.00 C ATOM 235 O GLN A 18 21.064 31.721 15.664 1.00 20.00 O ATOM 236 CB GLN A 18 22.826 32.755 13.262 1.00 20.00 C ATOM 237 CG GLN A 18 23.109 34.080 12.525 1.00 20.00 C ATOM 238 CD GLN A 18 23.306 33.925 11.016 1.00 20.00 C ATOM 239 OE1 GLN A 18 22.783 33.007 10.389 1.00 20.00 O ATOM 240 NE2 GLN A 18 24.072 34.833 10.414 1.00 20.00 N ATOM 0 H GLN A 18 24.988 32.783 14.379 1.00 20.00 H new ATOM 0 HA GLN A 18 22.398 33.828 15.094 1.00 20.00 H new ATOM 0 HB2 GLN A 18 23.528 31.991 12.928 1.00 20.00 H new ATOM 0 HB3 GLN A 18 21.826 32.401 13.011 1.00 20.00 H new ATOM 0 HG2 GLN A 18 22.282 34.767 12.704 1.00 20.00 H new ATOM 0 HG3 GLN A 18 24.001 34.538 12.952 1.00 20.00 H new ATOM 0 HE21 GLN A 18 24.494 35.585 10.958 1.00 20.00 H new ATOM 0 HE22 GLN A 18 24.236 34.776 9.409 1.00 20.00 H new ATOM 249 N GLU A 19 23.116 30.900 16.126 1.00 20.00 N ATOM 250 CA GLU A 19 22.776 29.837 17.061 1.00 20.00 C ATOM 251 C GLU A 19 22.439 30.378 18.459 1.00 20.00 C ATOM 252 O GLU A 19 21.513 29.876 19.096 1.00 20.00 O ATOM 253 CB GLU A 19 23.945 28.836 17.143 1.00 20.00 C ATOM 254 CG GLU A 19 25.349 29.466 17.214 1.00 20.00 C ATOM 255 CD GLU A 19 26.436 28.399 17.348 1.00 20.00 C ATOM 256 OE1 GLU A 19 27.162 28.186 16.351 1.00 20.00 O ATOM 257 OE2 GLU A 19 26.535 27.813 18.450 1.00 20.00 O ATOM 0 H GLU A 19 24.117 30.920 15.930 1.00 20.00 H new ATOM 0 HA GLU A 19 21.882 29.336 16.690 1.00 20.00 H new ATOM 0 HB2 GLU A 19 23.802 28.207 18.022 1.00 20.00 H new ATOM 0 HB3 GLU A 19 23.902 28.181 16.273 1.00 20.00 H new ATOM 0 HG2 GLU A 19 25.529 30.059 16.317 1.00 20.00 H new ATOM 0 HG3 GLU A 19 25.400 30.148 18.063 1.00 20.00 H new ATOM 264 N ALA A 20 23.183 31.389 18.930 1.00 20.00 N ATOM 265 CA ALA A 20 23.039 31.976 20.261 1.00 20.00 C ATOM 266 C ALA A 20 21.880 32.978 20.365 1.00 20.00 C ATOM 267 O ALA A 20 21.522 33.360 21.478 1.00 20.00 O ATOM 268 CB ALA A 20 24.362 32.637 20.664 1.00 20.00 C ATOM 0 H ALA A 20 23.919 31.829 18.378 1.00 20.00 H new ATOM 0 HA ALA A 20 22.794 31.167 20.949 1.00 20.00 H new ATOM 0 HB1 ALA A 20 24.261 33.077 21.656 1.00 20.00 H new ATOM 0 HB2 ALA A 20 25.154 31.888 20.678 1.00 20.00 H new ATOM 0 HB3 ALA A 20 24.613 33.417 19.945 1.00 20.00 H new ATOM 274 N ARG A 21 21.281 33.389 19.238 1.00 20.00 N ATOM 275 CA ARG A 21 20.160 34.329 19.208 1.00 20.00 C ATOM 276 C ARG A 21 18.909 33.699 19.826 1.00 20.00 C ATOM 277 O ARG A 21 18.341 32.752 19.280 1.00 20.00 O ATOM 278 CB ARG A 21 19.886 34.815 17.780 1.00 20.00 C ATOM 279 CG ARG A 21 21.052 35.663 17.261 1.00 20.00 C ATOM 280 CD ARG A 21 20.772 36.160 15.846 1.00 20.00 C ATOM 281 NE ARG A 21 21.995 36.692 15.233 1.00 20.00 N ATOM 282 CZ ARG A 21 22.065 37.220 14.004 1.00 20.00 C ATOM 283 NH1 ARG A 21 20.981 37.397 13.247 1.00 20.00 N ATOM 284 NH2 ARG A 21 23.247 37.570 13.510 1.00 20.00 N ATOM 0 H ARG A 21 21.568 33.072 18.312 1.00 20.00 H new ATOM 0 HA ARG A 21 20.431 35.199 19.807 1.00 20.00 H new ATOM 0 HB2 ARG A 21 19.732 33.959 17.123 1.00 20.00 H new ATOM 0 HB3 ARG A 21 18.967 35.401 17.760 1.00 20.00 H new ATOM 0 HG2 ARG A 21 21.213 36.513 17.925 1.00 20.00 H new ATOM 0 HG3 ARG A 21 21.969 35.073 17.270 1.00 20.00 H new ATOM 0 HD2 ARG A 21 20.380 35.344 15.239 1.00 20.00 H new ATOM 0 HD3 ARG A 21 20.005 36.934 15.872 1.00 20.00 H new ATOM 0 HE ARG A 21 22.854 36.657 15.783 1.00 20.00 H new ATOM 0 HH11 ARG A 21 20.063 37.127 13.600 1.00 20.00 H new ATOM 0 HH12 ARG A 21 21.070 37.802 12.315 1.00 20.00 H new ATOM 0 HH21 ARG A 21 24.092 37.436 14.066 1.00 20.00 H new ATOM 0 HH22 ARG A 21 23.310 37.973 12.575 1.00 20.00 H new ATOM 298 N LEU A 22 18.500 34.242 20.977 1.00 20.00 N ATOM 299 CA LEU A 22 17.282 33.907 21.707 1.00 20.00 C ATOM 300 C LEU A 22 16.052 34.566 21.065 1.00 20.00 C ATOM 301 O LEU A 22 16.173 35.340 20.117 1.00 20.00 O ATOM 302 CB LEU A 22 17.455 34.368 23.168 1.00 20.00 C ATOM 303 CG LEU A 22 18.542 33.591 23.933 1.00 20.00 C ATOM 304 CD1 LEU A 22 18.954 34.358 25.190 1.00 20.00 C ATOM 305 CD2 LEU A 22 18.052 32.192 24.322 1.00 20.00 C ATOM 0 H LEU A 22 19.043 34.967 21.447 1.00 20.00 H new ATOM 0 HA LEU A 22 17.118 32.830 21.674 1.00 20.00 H new ATOM 0 HB2 LEU A 22 17.703 35.429 23.179 1.00 20.00 H new ATOM 0 HB3 LEU A 22 16.505 34.257 23.690 1.00 20.00 H new ATOM 0 HG LEU A 22 19.403 33.485 23.274 1.00 20.00 H new ATOM 0 HD11 LEU A 22 19.723 33.798 25.722 1.00 20.00 H new ATOM 0 HD12 LEU A 22 19.346 35.335 24.908 1.00 20.00 H new ATOM 0 HD13 LEU A 22 18.087 34.488 25.837 1.00 20.00 H new ATOM 0 HD21 LEU A 22 18.841 31.667 24.861 1.00 20.00 H new ATOM 0 HD22 LEU A 22 17.173 32.279 24.960 1.00 20.00 H new ATOM 0 HD23 LEU A 22 17.794 31.634 23.422 1.00 20.00 H new ATOM 317 N SER A 23 14.869 34.257 21.607 1.00 20.00 N ATOM 318 CA SER A 23 13.566 34.755 21.158 1.00 20.00 C ATOM 319 C SER A 23 12.919 35.721 22.163 1.00 20.00 C ATOM 320 O SER A 23 11.826 36.224 21.900 1.00 20.00 O ATOM 321 CB SER A 23 12.643 33.568 20.843 1.00 20.00 C ATOM 322 OG SER A 23 12.361 32.811 22.001 1.00 20.00 O ATOM 0 H SER A 23 14.791 33.626 22.405 1.00 20.00 H new ATOM 0 HA SER A 23 13.725 35.337 20.250 1.00 20.00 H new ATOM 0 HB2 SER A 23 11.712 33.934 20.411 1.00 20.00 H new ATOM 0 HB3 SER A 23 13.112 32.929 20.095 1.00 20.00 H new ATOM 0 HG SER A 23 11.770 32.064 21.768 1.00 20.00 H new ATOM 328 N TYR A 24 13.578 35.995 23.300 1.00 20.00 N ATOM 329 CA TYR A 24 13.118 36.930 24.324 1.00 20.00 C ATOM 330 C TYR A 24 13.238 38.391 23.862 1.00 20.00 C ATOM 331 O TYR A 24 13.855 38.685 22.834 1.00 20.00 O ATOM 332 CB TYR A 24 13.935 36.722 25.609 1.00 20.00 C ATOM 333 CG TYR A 24 14.078 35.292 26.095 1.00 20.00 C ATOM 334 CD1 TYR A 24 12.965 34.430 26.134 1.00 20.00 C ATOM 335 CD2 TYR A 24 15.337 34.828 26.517 1.00 20.00 C ATOM 336 CE1 TYR A 24 13.112 33.105 26.581 1.00 20.00 C ATOM 337 CE2 TYR A 24 15.496 33.500 26.946 1.00 20.00 C ATOM 338 CZ TYR A 24 14.382 32.633 26.981 1.00 20.00 C ATOM 339 OH TYR A 24 14.539 31.344 27.392 1.00 20.00 O ATOM 0 H TYR A 24 14.469 35.557 23.533 1.00 20.00 H new ATOM 0 HA TYR A 24 12.063 36.730 24.513 1.00 20.00 H new ATOM 0 HB2 TYR A 24 14.933 37.129 25.449 1.00 20.00 H new ATOM 0 HB3 TYR A 24 13.475 37.309 26.404 1.00 20.00 H new ATOM 0 HD1 TYR A 24 11.996 34.788 25.820 1.00 20.00 H new ATOM 0 HD2 TYR A 24 16.186 35.496 26.511 1.00 20.00 H new ATOM 0 HE1 TYR A 24 12.255 32.449 26.618 1.00 20.00 H new ATOM 0 HE2 TYR A 24 16.469 33.142 27.249 1.00 20.00 H new ATOM 0 HH TYR A 24 15.477 31.188 27.629 1.00 20.00 H new ATOM 349 N GLY A 25 12.677 39.303 24.667 1.00 20.00 N ATOM 350 CA GLY A 25 12.763 40.746 24.484 1.00 20.00 C ATOM 351 C GLY A 25 13.204 41.443 25.771 1.00 20.00 C ATOM 352 O GLY A 25 12.785 41.059 26.865 1.00 20.00 O ATOM 0 H GLY A 25 12.134 39.041 25.490 1.00 20.00 H new ATOM 0 HA2 GLY A 25 13.469 40.972 23.685 1.00 20.00 H new ATOM 0 HA3 GLY A 25 11.793 41.134 24.172 1.00 20.00 H new ATOM 356 N GLY A 26 14.038 42.480 25.624 1.00 20.00 N ATOM 357 CA GLY A 26 14.526 43.317 26.716 1.00 20.00 C ATOM 358 C GLY A 26 15.924 43.912 26.475 1.00 20.00 C ATOM 359 O GLY A 26 16.299 44.849 27.178 1.00 20.00 O ATOM 0 H GLY A 26 14.400 42.764 24.714 1.00 20.00 H new ATOM 0 HA2 GLY A 26 13.820 44.131 26.879 1.00 20.00 H new ATOM 0 HA3 GLY A 26 14.548 42.725 27.631 1.00 20.00 H new ATOM 363 N CYS A 27 16.684 43.406 25.489 1.00 20.00 N ATOM 364 CA CYS A 27 17.963 43.973 25.056 1.00 20.00 C ATOM 365 C CYS A 27 17.782 45.214 24.169 1.00 20.00 C ATOM 366 O CYS A 27 16.661 45.645 23.892 1.00 20.00 O ATOM 367 CB CYS A 27 18.785 42.894 24.336 1.00 20.00 C ATOM 368 SG CYS A 27 19.594 41.716 25.441 1.00 20.00 S ATOM 0 H CYS A 27 16.417 42.574 24.963 1.00 20.00 H new ATOM 0 HA CYS A 27 18.502 44.306 25.943 1.00 20.00 H new ATOM 0 HB2 CYS A 27 18.130 42.347 23.657 1.00 20.00 H new ATOM 0 HB3 CYS A 27 19.544 43.380 23.724 1.00 20.00 H new ATOM 373 N SER A 28 18.916 45.780 23.728 1.00 20.00 N ATOM 374 CA SER A 28 18.999 46.988 22.909 1.00 20.00 C ATOM 375 C SER A 28 19.390 46.666 21.454 1.00 20.00 C ATOM 376 O SER A 28 19.304 47.537 20.589 1.00 20.00 O ATOM 377 CB SER A 28 19.997 47.943 23.576 1.00 20.00 C ATOM 378 OG SER A 28 19.982 49.207 22.960 1.00 20.00 O ATOM 0 H SER A 28 19.833 45.389 23.943 1.00 20.00 H new ATOM 0 HA SER A 28 18.020 47.465 22.850 1.00 20.00 H new ATOM 0 HB2 SER A 28 19.753 48.048 24.633 1.00 20.00 H new ATOM 0 HB3 SER A 28 21.000 47.521 23.521 1.00 20.00 H new ATOM 0 HG SER A 28 19.877 49.098 21.992 1.00 20.00 H new ATOM 384 N THR A 29 19.786 45.414 21.175 1.00 20.00 N ATOM 385 CA THR A 29 20.188 44.926 19.856 1.00 20.00 C ATOM 386 C THR A 29 19.591 43.540 19.602 1.00 20.00 C ATOM 387 O THR A 29 18.704 43.416 18.759 1.00 20.00 O ATOM 388 CB THR A 29 21.719 44.925 19.687 1.00 20.00 C ATOM 389 OG1 THR A 29 22.373 44.448 20.846 1.00 20.00 O ATOM 390 CG2 THR A 29 22.270 46.312 19.353 1.00 20.00 C ATOM 0 H THR A 29 19.835 44.690 21.892 1.00 20.00 H new ATOM 0 HA THR A 29 19.794 45.612 19.106 1.00 20.00 H new ATOM 0 HB THR A 29 21.920 44.255 18.851 1.00 20.00 H new ATOM 0 HG1 THR A 29 22.724 43.549 20.677 1.00 20.00 H new ATOM 0 HG21 THR A 29 23.353 46.257 19.244 1.00 20.00 H new ATOM 0 HG22 THR A 29 21.829 46.664 18.420 1.00 20.00 H new ATOM 0 HG23 THR A 29 22.021 47.006 20.156 1.00 20.00 H new ATOM 398 N VAL A 30 20.072 42.514 20.322 1.00 20.00 N ATOM 399 CA VAL A 30 19.550 41.148 20.309 1.00 20.00 C ATOM 400 C VAL A 30 19.984 40.411 21.586 1.00 20.00 C ATOM 401 O VAL A 30 21.093 40.604 22.085 1.00 20.00 O ATOM 402 CB VAL A 30 19.971 40.398 19.016 1.00 20.00 C ATOM 403 CG1 VAL A 30 21.487 40.214 18.854 1.00 20.00 C ATOM 404 CG2 VAL A 30 19.286 39.028 18.901 1.00 20.00 C ATOM 0 H VAL A 30 20.867 42.623 20.952 1.00 20.00 H new ATOM 0 HA VAL A 30 18.461 41.182 20.300 1.00 20.00 H new ATOM 0 HB VAL A 30 19.637 41.051 18.210 1.00 20.00 H new ATOM 0 HG11 VAL A 30 21.692 39.681 17.925 1.00 20.00 H new ATOM 0 HG12 VAL A 30 21.971 41.190 18.827 1.00 20.00 H new ATOM 0 HG13 VAL A 30 21.876 39.640 19.695 1.00 20.00 H new ATOM 0 HG21 VAL A 30 19.608 38.536 17.983 1.00 20.00 H new ATOM 0 HG22 VAL A 30 19.559 38.412 19.758 1.00 20.00 H new ATOM 0 HG23 VAL A 30 18.205 39.162 18.881 1.00 20.00 H new ATOM 414 N CYS A 31 19.097 39.549 22.094 1.00 20.00 N ATOM 415 CA CYS A 31 19.340 38.642 23.207 1.00 20.00 C ATOM 416 C CYS A 31 20.254 37.495 22.764 1.00 20.00 C ATOM 417 O CYS A 31 19.913 36.758 21.838 1.00 20.00 O ATOM 418 CB CYS A 31 17.983 38.137 23.700 1.00 20.00 C ATOM 419 SG CYS A 31 16.979 39.448 24.433 1.00 20.00 S ATOM 0 H CYS A 31 18.151 39.465 21.721 1.00 20.00 H new ATOM 0 HA CYS A 31 19.851 39.151 24.024 1.00 20.00 H new ATOM 0 HB2 CYS A 31 17.440 37.692 22.866 1.00 20.00 H new ATOM 0 HB3 CYS A 31 18.138 37.349 24.436 1.00 20.00 H new ATOM 424 N CYS A 32 21.417 37.365 23.419 1.00 20.00 N ATOM 425 CA CYS A 32 22.492 36.460 23.025 1.00 20.00 C ATOM 426 C CYS A 32 22.892 35.554 24.197 1.00 20.00 C ATOM 427 O CYS A 32 23.490 36.026 25.163 1.00 20.00 O ATOM 428 CB CYS A 32 23.681 37.279 22.503 1.00 20.00 C ATOM 429 SG CYS A 32 24.803 36.311 21.466 1.00 20.00 S ATOM 0 H CYS A 32 21.636 37.903 24.258 1.00 20.00 H new ATOM 0 HA CYS A 32 22.147 35.808 22.222 1.00 20.00 H new ATOM 0 HB2 CYS A 32 23.307 38.128 21.931 1.00 20.00 H new ATOM 0 HB3 CYS A 32 24.236 37.684 23.349 1.00 20.00 H new ATOM 434 N ASP A 33 22.538 34.263 24.105 1.00 20.00 N ATOM 435 CA ASP A 33 22.782 33.220 25.101 1.00 20.00 C ATOM 436 C ASP A 33 24.284 32.955 25.274 1.00 20.00 C ATOM 437 O ASP A 33 24.917 32.338 24.417 1.00 20.00 O ATOM 438 CB ASP A 33 22.029 31.943 24.685 1.00 20.00 C ATOM 439 CG ASP A 33 21.908 30.908 25.809 1.00 20.00 C ATOM 440 OD1 ASP A 33 20.794 30.362 25.964 1.00 20.00 O ATOM 441 OD2 ASP A 33 22.923 30.642 26.489 1.00 20.00 O ATOM 0 H ASP A 33 22.047 33.904 23.286 1.00 20.00 H new ATOM 0 HA ASP A 33 22.409 33.554 26.069 1.00 20.00 H new ATOM 0 HB2 ASP A 33 21.030 32.215 24.344 1.00 20.00 H new ATOM 0 HB3 ASP A 33 22.542 31.488 23.838 1.00 20.00 H new ATOM 446 N LEU A 34 24.846 33.421 26.397 1.00 20.00 N ATOM 447 CA LEU A 34 26.262 33.268 26.725 1.00 20.00 C ATOM 448 C LEU A 34 26.597 31.880 27.305 1.00 20.00 C ATOM 449 O LEU A 34 27.766 31.492 27.310 1.00 20.00 O ATOM 450 CB LEU A 34 26.697 34.357 27.721 1.00 20.00 C ATOM 451 CG LEU A 34 26.276 35.801 27.376 1.00 20.00 C ATOM 452 CD1 LEU A 34 26.876 36.762 28.408 1.00 20.00 C ATOM 453 CD2 LEU A 34 26.724 36.233 25.971 1.00 20.00 C ATOM 0 H LEU A 34 24.318 33.922 27.112 1.00 20.00 H new ATOM 0 HA LEU A 34 26.811 33.371 25.789 1.00 20.00 H new ATOM 0 HB2 LEU A 34 26.292 34.107 28.701 1.00 20.00 H new ATOM 0 HB3 LEU A 34 27.783 34.328 27.808 1.00 20.00 H new ATOM 0 HG LEU A 34 25.187 35.832 27.396 1.00 20.00 H new ATOM 0 HD11 LEU A 34 26.581 37.784 28.168 1.00 20.00 H new ATOM 0 HD12 LEU A 34 26.511 36.503 29.402 1.00 20.00 H new ATOM 0 HD13 LEU A 34 27.963 36.684 28.389 1.00 20.00 H new ATOM 0 HD21 LEU A 34 26.400 37.257 25.785 1.00 20.00 H new ATOM 0 HD22 LEU A 34 27.810 36.178 25.903 1.00 20.00 H new ATOM 0 HD23 LEU A 34 26.280 35.571 25.228 1.00 20.00 H new ATOM 465 N SER A 35 25.594 31.131 27.791 1.00 20.00 N ATOM 466 CA SER A 35 25.764 29.831 28.450 1.00 20.00 C ATOM 467 C SER A 35 26.019 28.677 27.467 1.00 20.00 C ATOM 468 O SER A 35 26.417 27.596 27.904 1.00 20.00 O ATOM 469 CB SER A 35 24.537 29.525 29.316 1.00 20.00 C ATOM 470 OG SER A 35 24.455 30.428 30.399 1.00 20.00 O ATOM 0 H SER A 35 24.618 31.423 27.734 1.00 20.00 H new ATOM 0 HA SER A 35 26.656 29.908 29.072 1.00 20.00 H new ATOM 0 HB2 SER A 35 23.633 29.591 28.711 1.00 20.00 H new ATOM 0 HB3 SER A 35 24.596 28.503 29.691 1.00 20.00 H new ATOM 0 HG SER A 35 23.665 30.219 30.940 1.00 20.00 H new ATOM 476 N LYS A 36 25.847 28.912 26.158 1.00 20.00 N ATOM 477 CA LYS A 36 26.183 27.994 25.065 1.00 20.00 C ATOM 478 C LYS A 36 27.302 28.526 24.157 1.00 20.00 C ATOM 479 O LYS A 36 27.689 27.861 23.199 1.00 20.00 O ATOM 480 CB LYS A 36 24.910 27.644 24.278 1.00 20.00 C ATOM 481 CG LYS A 36 24.271 28.867 23.592 1.00 20.00 C ATOM 482 CD LYS A 36 23.075 28.506 22.707 1.00 20.00 C ATOM 483 CE LYS A 36 21.907 27.913 23.498 1.00 20.00 C ATOM 484 NZ LYS A 36 20.752 27.653 22.619 1.00 20.00 N ATOM 0 H LYS A 36 25.451 29.789 25.819 1.00 20.00 H new ATOM 0 HA LYS A 36 26.586 27.081 25.504 1.00 20.00 H new ATOM 0 HB2 LYS A 36 25.150 26.895 23.523 1.00 20.00 H new ATOM 0 HB3 LYS A 36 24.184 27.193 24.954 1.00 20.00 H new ATOM 0 HG2 LYS A 36 23.949 29.576 24.355 1.00 20.00 H new ATOM 0 HG3 LYS A 36 25.024 29.370 22.986 1.00 20.00 H new ATOM 0 HD2 LYS A 36 22.736 29.399 22.182 1.00 20.00 H new ATOM 0 HD3 LYS A 36 23.393 27.791 21.948 1.00 20.00 H new ATOM 0 HE2 LYS A 36 22.221 26.985 23.976 1.00 20.00 H new ATOM 0 HE3 LYS A 36 21.616 28.599 24.293 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 19.973 27.251 23.179 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 20.441 28.544 22.182 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 21.026 26.980 21.875 1.00 20.00 H new ATOM 498 N LEU A 37 27.815 29.718 24.469 1.00 20.00 N ATOM 499 CA LEU A 37 28.811 30.453 23.697 1.00 20.00 C ATOM 500 C LEU A 37 30.233 30.029 24.086 1.00 20.00 C ATOM 501 O LEU A 37 31.056 29.759 23.212 1.00 20.00 O ATOM 502 CB LEU A 37 28.575 31.950 23.955 1.00 20.00 C ATOM 503 CG LEU A 37 29.328 32.912 23.020 1.00 20.00 C ATOM 504 CD1 LEU A 37 28.854 32.806 21.563 1.00 20.00 C ATOM 505 CD2 LEU A 37 29.118 34.350 23.518 1.00 20.00 C ATOM 0 H LEU A 37 27.530 30.220 25.310 1.00 20.00 H new ATOM 0 HA LEU A 37 28.709 30.236 22.634 1.00 20.00 H new ATOM 0 HB2 LEU A 37 27.507 32.151 23.870 1.00 20.00 H new ATOM 0 HB3 LEU A 37 28.861 32.173 24.983 1.00 20.00 H new ATOM 0 HG LEU A 37 30.383 32.639 23.039 1.00 20.00 H new ATOM 0 HD11 LEU A 37 29.417 33.506 20.945 1.00 20.00 H new ATOM 0 HD12 LEU A 37 29.016 31.791 21.201 1.00 20.00 H new ATOM 0 HD13 LEU A 37 27.792 33.046 21.507 1.00 20.00 H new ATOM 0 HD21 LEU A 37 29.647 35.043 22.863 1.00 20.00 H new ATOM 0 HD22 LEU A 37 28.054 34.586 23.511 1.00 20.00 H new ATOM 0 HD23 LEU A 37 29.504 34.444 24.533 1.00 20.00 H new ATOM 517 N THR A 38 30.510 29.981 25.397 1.00 20.00 N ATOM 518 CA THR A 38 31.801 29.611 25.984 1.00 20.00 C ATOM 519 C THR A 38 32.043 28.093 25.959 1.00 20.00 C ATOM 520 O THR A 38 31.138 27.307 25.674 1.00 20.00 O ATOM 521 CB THR A 38 31.899 30.146 27.426 1.00 20.00 C ATOM 522 OG1 THR A 38 30.859 29.640 28.236 1.00 20.00 O ATOM 523 CG2 THR A 38 31.880 31.678 27.475 1.00 20.00 C ATOM 0 H THR A 38 29.811 30.209 26.104 1.00 20.00 H new ATOM 0 HA THR A 38 32.579 30.068 25.372 1.00 20.00 H new ATOM 0 HB THR A 38 32.857 29.800 27.815 1.00 20.00 H new ATOM 0 HG1 THR A 38 30.949 29.996 29.145 1.00 20.00 H new ATOM 0 HG21 THR A 38 31.951 32.010 28.511 1.00 20.00 H new ATOM 0 HG22 THR A 38 32.725 32.071 26.909 1.00 20.00 H new ATOM 0 HG23 THR A 38 30.950 32.044 27.040 1.00 20.00 H new ATOM 531 N GLY A 39 33.276 27.697 26.303 1.00 20.00 N ATOM 532 CA GLY A 39 33.731 26.316 26.442 1.00 20.00 C ATOM 533 C GLY A 39 34.797 25.950 25.408 1.00 20.00 C ATOM 534 O GLY A 39 34.975 26.650 24.409 1.00 20.00 O ATOM 0 H GLY A 39 34.017 28.369 26.501 1.00 20.00 H new ATOM 0 HA2 GLY A 39 34.134 26.167 27.444 1.00 20.00 H new ATOM 0 HA3 GLY A 39 32.880 25.643 26.337 1.00 20.00 H new ATOM 538 N CYS A 40 35.489 24.825 25.642 1.00 20.00 N ATOM 539 CA CYS A 40 36.567 24.346 24.784 1.00 20.00 C ATOM 540 C CYS A 40 36.013 23.885 23.433 1.00 20.00 C ATOM 541 O CYS A 40 36.537 24.269 22.388 1.00 20.00 O ATOM 542 CB CYS A 40 37.341 23.213 25.477 1.00 20.00 C ATOM 543 SG CYS A 40 39.100 23.216 25.056 1.00 20.00 S ATOM 0 H CYS A 40 35.309 24.220 26.443 1.00 20.00 H new ATOM 0 HA CYS A 40 37.259 25.168 24.602 1.00 20.00 H new ATOM 0 HB2 CYS A 40 37.229 23.309 26.557 1.00 20.00 H new ATOM 0 HB3 CYS A 40 36.905 22.255 25.195 1.00 20.00 H new ATOM 548 N LYS A 41 34.930 23.094 23.473 1.00 20.00 N ATOM 549 CA LYS A 41 34.188 22.624 22.307 1.00 20.00 C ATOM 550 C LYS A 41 33.147 23.638 21.805 1.00 20.00 C ATOM 551 O LYS A 41 32.677 23.499 20.678 1.00 20.00 O ATOM 552 CB LYS A 41 33.549 21.263 22.637 1.00 20.00 C ATOM 553 CG LYS A 41 32.231 21.350 23.424 1.00 20.00 C ATOM 554 CD LYS A 41 31.733 19.961 23.835 1.00 20.00 C ATOM 555 CE LYS A 41 30.379 20.087 24.539 1.00 20.00 C ATOM 556 NZ LYS A 41 29.872 18.772 24.970 1.00 20.00 N ATOM 0 H LYS A 41 34.538 22.756 24.352 1.00 20.00 H new ATOM 0 HA LYS A 41 34.890 22.507 21.481 1.00 20.00 H new ATOM 0 HB2 LYS A 41 33.366 20.727 21.706 1.00 20.00 H new ATOM 0 HB3 LYS A 41 34.262 20.671 23.211 1.00 20.00 H new ATOM 0 HG2 LYS A 41 32.376 21.964 24.313 1.00 20.00 H new ATOM 0 HG3 LYS A 41 31.474 21.844 22.815 1.00 20.00 H new ATOM 0 HD2 LYS A 41 31.639 19.323 22.956 1.00 20.00 H new ATOM 0 HD3 LYS A 41 32.456 19.486 24.498 1.00 20.00 H new ATOM 0 HE2 LYS A 41 30.477 20.742 25.405 1.00 20.00 H new ATOM 0 HE3 LYS A 41 29.659 20.553 23.866 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 28.954 18.892 25.443 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 29.756 18.156 24.140 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 30.548 18.339 25.631 1.00 20.00 H new ATOM 570 N GLY A 42 32.800 24.652 22.617 1.00 20.00 N ATOM 571 CA GLY A 42 31.827 25.690 22.286 1.00 20.00 C ATOM 572 C GLY A 42 32.267 26.505 21.072 1.00 20.00 C ATOM 573 O GLY A 42 31.522 26.620 20.099 1.00 20.00 O ATOM 0 H GLY A 42 33.204 24.769 23.546 1.00 20.00 H new ATOM 0 HA2 GLY A 42 30.859 25.231 22.086 1.00 20.00 H new ATOM 0 HA3 GLY A 42 31.695 26.352 23.142 1.00 20.00 H new ATOM 577 N LYS A 43 33.499 27.020 21.126 1.00 20.00 N ATOM 578 CA LYS A 43 34.197 27.652 20.007 1.00 20.00 C ATOM 579 C LYS A 43 35.000 26.644 19.170 1.00 20.00 C ATOM 580 O LYS A 43 35.284 26.924 18.007 1.00 20.00 O ATOM 581 CB LYS A 43 35.135 28.730 20.569 1.00 20.00 C ATOM 582 CG LYS A 43 34.415 30.015 21.000 1.00 20.00 C ATOM 583 CD LYS A 43 33.920 30.830 19.798 1.00 20.00 C ATOM 584 CE LYS A 43 33.285 32.136 20.265 1.00 20.00 C ATOM 585 NZ LYS A 43 32.794 32.923 19.123 1.00 20.00 N ATOM 0 H LYS A 43 34.055 27.007 21.981 1.00 20.00 H new ATOM 0 HA LYS A 43 33.453 28.090 19.342 1.00 20.00 H new ATOM 0 HB2 LYS A 43 35.672 28.321 21.425 1.00 20.00 H new ATOM 0 HB3 LYS A 43 35.881 28.978 19.814 1.00 20.00 H new ATOM 0 HG2 LYS A 43 33.569 29.759 21.637 1.00 20.00 H new ATOM 0 HG3 LYS A 43 35.091 30.626 21.598 1.00 20.00 H new ATOM 0 HD2 LYS A 43 34.753 31.043 19.127 1.00 20.00 H new ATOM 0 HD3 LYS A 43 33.194 30.248 19.230 1.00 20.00 H new ATOM 0 HE2 LYS A 43 32.460 31.921 20.944 1.00 20.00 H new ATOM 0 HE3 LYS A 43 34.015 32.719 20.826 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 32.367 33.806 19.468 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 33.587 33.147 18.489 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 32.080 32.373 18.604 1.00 20.00 H new ATOM 599 N GLY A 44 35.348 25.483 19.741 1.00 20.00 N ATOM 600 CA GLY A 44 36.049 24.386 19.079 1.00 20.00 C ATOM 601 C GLY A 44 37.577 24.463 19.188 1.00 20.00 C ATOM 602 O GLY A 44 38.233 23.423 19.129 1.00 20.00 O ATOM 0 H GLY A 44 35.138 25.279 20.718 1.00 20.00 H new ATOM 0 HA2 GLY A 44 35.712 23.442 19.508 1.00 20.00 H new ATOM 0 HA3 GLY A 44 35.771 24.375 18.025 1.00 20.00 H new ATOM 606 N GLY A 45 38.141 25.665 19.386 1.00 20.00 N ATOM 607 CA GLY A 45 39.560 25.884 19.651 1.00 20.00 C ATOM 608 C GLY A 45 40.484 25.490 18.496 1.00 20.00 C ATOM 609 O GLY A 45 40.059 25.359 17.348 1.00 20.00 O ATOM 0 H GLY A 45 37.602 26.531 19.364 1.00 20.00 H new ATOM 0 HA2 GLY A 45 39.716 26.938 19.883 1.00 20.00 H new ATOM 0 HA3 GLY A 45 39.844 25.317 20.538 1.00 20.00 H new ATOM 613 N GLU A 46 41.771 25.335 18.829 1.00 20.00 N ATOM 614 CA GLU A 46 42.859 24.972 17.921 1.00 20.00 C ATOM 615 C GLU A 46 43.511 23.675 18.409 1.00 20.00 C ATOM 616 O GLU A 46 43.696 23.495 19.609 1.00 20.00 O ATOM 617 CB GLU A 46 43.875 26.124 17.899 1.00 20.00 C ATOM 618 CG GLU A 46 44.847 26.092 16.712 1.00 20.00 C ATOM 619 CD GLU A 46 44.177 26.365 15.358 1.00 20.00 C ATOM 620 OE1 GLU A 46 43.201 27.146 15.319 1.00 20.00 O ATOM 621 OE2 GLU A 46 44.674 25.800 14.358 1.00 20.00 O ATOM 0 H GLU A 46 42.095 25.466 19.787 1.00 20.00 H new ATOM 0 HA GLU A 46 42.484 24.807 16.911 1.00 20.00 H new ATOM 0 HB2 GLU A 46 43.333 27.070 17.883 1.00 20.00 H new ATOM 0 HB3 GLU A 46 44.451 26.102 18.824 1.00 20.00 H new ATOM 0 HG2 GLU A 46 45.631 26.832 16.875 1.00 20.00 H new ATOM 0 HG3 GLU A 46 45.332 25.116 16.677 1.00 20.00 H new ATOM 628 N CYS A 47 43.891 22.790 17.483 1.00 20.00 N ATOM 629 CA CYS A 47 44.461 21.468 17.768 1.00 20.00 C ATOM 630 C CYS A 47 45.997 21.487 17.907 1.00 20.00 C ATOM 631 O CYS A 47 46.637 20.438 17.829 1.00 20.00 O ATOM 632 CB CYS A 47 43.997 20.508 16.671 1.00 20.00 C ATOM 633 SG CYS A 47 43.884 18.745 17.107 1.00 20.00 S ATOM 0 H CYS A 47 43.808 22.978 16.484 1.00 20.00 H new ATOM 0 HA CYS A 47 44.101 21.130 18.740 1.00 20.00 H new ATOM 0 HB2 CYS A 47 43.016 20.835 16.328 1.00 20.00 H new ATOM 0 HB3 CYS A 47 44.679 20.605 15.826 1.00 20.00 H new ATOM 638 N ASN A 48 46.576 22.680 18.109 1.00 20.00 N ATOM 639 CA ASN A 48 47.988 22.989 18.350 1.00 20.00 C ATOM 640 C ASN A 48 48.686 22.043 19.355 1.00 20.00 C ATOM 641 O ASN A 48 48.024 21.522 20.254 1.00 20.00 O ATOM 642 CB ASN A 48 48.064 24.450 18.838 1.00 20.00 C ATOM 643 CG ASN A 48 47.567 24.661 20.274 1.00 20.00 C ATOM 644 OD1 ASN A 48 48.284 25.213 21.100 1.00 20.00 O ATOM 645 ND2 ASN A 48 46.342 24.248 20.597 1.00 20.00 N ATOM 0 H ASN A 48 46.012 23.530 18.107 1.00 20.00 H new ATOM 0 HA ASN A 48 48.528 22.843 17.415 1.00 20.00 H new ATOM 0 HB2 ASN A 48 49.097 24.791 18.769 1.00 20.00 H new ATOM 0 HB3 ASN A 48 47.477 25.076 18.167 1.00 20.00 H new ATOM 0 HD21 ASN A 48 45.989 24.390 21.543 1.00 20.00 H new ATOM 0 HD22 ASN A 48 45.757 23.790 19.898 1.00 20.00 H new ATOM 652 N PRO A 49 50.020 21.853 19.258 1.00 20.00 N ATOM 653 CA PRO A 49 50.774 20.949 20.125 1.00 20.00 C ATOM 654 C PRO A 49 50.869 21.463 21.567 1.00 20.00 C ATOM 655 O PRO A 49 50.708 22.657 21.826 1.00 20.00 O ATOM 656 CB PRO A 49 52.160 20.825 19.481 1.00 20.00 C ATOM 657 CG PRO A 49 52.331 22.160 18.766 1.00 20.00 C ATOM 658 CD PRO A 49 50.914 22.460 18.281 1.00 20.00 C ATOM 0 HA PRO A 49 50.276 19.983 20.206 1.00 20.00 H new ATOM 0 HB2 PRO A 49 52.938 20.665 20.227 1.00 20.00 H new ATOM 0 HB3 PRO A 49 52.208 19.987 18.786 1.00 20.00 H new ATOM 0 HG2 PRO A 49 52.703 22.935 19.437 1.00 20.00 H new ATOM 0 HG3 PRO A 49 53.037 22.089 17.938 1.00 20.00 H new ATOM 0 HD2 PRO A 49 50.744 23.534 18.211 1.00 20.00 H new ATOM 0 HD3 PRO A 49 50.746 22.046 17.287 1.00 20.00 H new ATOM 666 N LEU A 50 51.199 20.552 22.495 1.00 20.00 N ATOM 667 CA LEU A 50 51.488 20.854 23.898 1.00 20.00 C ATOM 668 C LEU A 50 52.737 21.745 24.059 1.00 20.00 C ATOM 669 O LEU A 50 52.898 22.376 25.102 1.00 20.00 O ATOM 670 CB LEU A 50 51.697 19.547 24.685 1.00 20.00 C ATOM 671 CG LEU A 50 50.454 18.638 24.767 1.00 20.00 C ATOM 672 CD1 LEU A 50 50.828 17.308 25.431 1.00 20.00 C ATOM 673 CD2 LEU A 50 49.298 19.284 25.539 1.00 20.00 C ATOM 0 H LEU A 50 51.273 19.558 22.280 1.00 20.00 H new ATOM 0 HA LEU A 50 50.631 21.401 24.291 1.00 20.00 H new ATOM 0 HB2 LEU A 50 52.510 18.987 24.223 1.00 20.00 H new ATOM 0 HB3 LEU A 50 52.016 19.795 25.697 1.00 20.00 H new ATOM 0 HG LEU A 50 50.112 18.472 23.745 1.00 20.00 H new ATOM 0 HD11 LEU A 50 49.947 16.669 25.487 1.00 20.00 H new ATOM 0 HD12 LEU A 50 51.600 16.812 24.842 1.00 20.00 H new ATOM 0 HD13 LEU A 50 51.204 17.496 26.437 1.00 20.00 H new ATOM 0 HD21 LEU A 50 48.450 18.599 25.565 1.00 20.00 H new ATOM 0 HD22 LEU A 50 49.618 19.503 26.558 1.00 20.00 H new ATOM 0 HD23 LEU A 50 49.002 20.209 25.044 1.00 20.00 H new ATOM 685 N ASP A 51 53.606 21.815 23.038 1.00 20.00 N ATOM 686 CA ASP A 51 54.817 22.632 23.013 1.00 20.00 C ATOM 687 C ASP A 51 54.512 24.138 22.942 1.00 20.00 C ATOM 688 O ASP A 51 55.329 24.942 23.392 1.00 20.00 O ATOM 689 CB ASP A 51 55.668 22.196 21.810 1.00 20.00 C ATOM 690 CG ASP A 51 57.042 22.868 21.799 1.00 20.00 C ATOM 691 OD1 ASP A 51 57.215 23.827 21.015 1.00 20.00 O ATOM 692 OD2 ASP A 51 57.908 22.410 22.577 1.00 20.00 O ATOM 0 H ASP A 51 53.474 21.282 22.178 1.00 20.00 H new ATOM 0 HA ASP A 51 55.360 22.476 23.945 1.00 20.00 H new ATOM 0 HB2 ASP A 51 55.795 21.114 21.831 1.00 20.00 H new ATOM 0 HB3 ASP A 51 55.140 22.437 20.887 1.00 20.00 H new ATOM 697 N ARG A 52 53.345 24.524 22.400 1.00 20.00 N ATOM 698 CA ARG A 52 52.928 25.917 22.255 1.00 20.00 C ATOM 699 C ARG A 52 52.610 26.549 23.622 1.00 20.00 C ATOM 700 O ARG A 52 52.359 25.840 24.598 1.00 20.00 O ATOM 701 CB ARG A 52 51.727 25.973 21.290 1.00 20.00 C ATOM 702 CG ARG A 52 51.591 27.336 20.594 1.00 20.00 C ATOM 703 CD ARG A 52 50.500 27.297 19.523 1.00 20.00 C ATOM 704 NE ARG A 52 50.484 28.531 18.729 1.00 20.00 N ATOM 705 CZ ARG A 52 49.698 28.776 17.673 1.00 20.00 C ATOM 706 NH1 ARG A 52 48.798 27.886 17.246 1.00 20.00 N ATOM 707 NH2 ARG A 52 49.814 29.936 17.029 1.00 20.00 N ATOM 0 H ARG A 52 52.657 23.860 22.046 1.00 20.00 H new ATOM 0 HA ARG A 52 53.743 26.506 21.834 1.00 20.00 H new ATOM 0 HB2 ARG A 52 51.835 25.193 20.536 1.00 20.00 H new ATOM 0 HB3 ARG A 52 50.812 25.758 21.842 1.00 20.00 H new ATOM 0 HG2 ARG A 52 51.355 28.103 21.331 1.00 20.00 H new ATOM 0 HG3 ARG A 52 52.542 27.613 20.140 1.00 20.00 H new ATOM 0 HD2 ARG A 52 50.663 26.442 18.866 1.00 20.00 H new ATOM 0 HD3 ARG A 52 49.528 27.155 19.996 1.00 20.00 H new ATOM 0 HE ARG A 52 51.131 29.269 19.007 1.00 20.00 H new ATOM 0 HH11 ARG A 52 48.696 26.993 17.727 1.00 20.00 H new ATOM 0 HH12 ARG A 52 48.213 28.100 16.439 1.00 20.00 H new ATOM 0 HH21 ARG A 52 50.496 30.627 17.342 1.00 20.00 H new ATOM 0 HH22 ARG A 52 49.221 30.134 16.223 1.00 20.00 H new ATOM 721 N GLN A 53 52.608 27.886 23.686 1.00 20.00 N ATOM 722 CA GLN A 53 52.302 28.654 24.891 1.00 20.00 C ATOM 723 C GLN A 53 50.796 28.627 25.190 1.00 20.00 C ATOM 724 O GLN A 53 50.027 29.399 24.615 1.00 20.00 O ATOM 725 CB GLN A 53 52.803 30.094 24.755 1.00 20.00 C ATOM 726 CG GLN A 53 54.333 30.189 24.817 1.00 20.00 C ATOM 727 CD GLN A 53 54.866 30.149 26.248 1.00 20.00 C ATOM 728 OE1 GLN A 53 54.703 31.105 27.000 1.00 20.00 O ATOM 729 NE2 GLN A 53 55.523 29.059 26.637 1.00 20.00 N ATOM 0 H GLN A 53 52.825 28.474 22.881 1.00 20.00 H new ATOM 0 HA GLN A 53 52.820 28.190 25.730 1.00 20.00 H new ATOM 0 HB2 GLN A 53 52.454 30.510 23.810 1.00 20.00 H new ATOM 0 HB3 GLN A 53 52.371 30.703 25.550 1.00 20.00 H new ATOM 0 HG2 GLN A 53 54.768 29.367 24.248 1.00 20.00 H new ATOM 0 HG3 GLN A 53 54.656 31.114 24.339 1.00 20.00 H new ATOM 0 HE21 GLN A 53 55.644 28.279 25.991 1.00 20.00 H new ATOM 0 HE22 GLN A 53 55.906 29.004 27.581 1.00 20.00 H new ATOM 738 N CYS A 54 50.407 27.726 26.099 1.00 20.00 N ATOM 739 CA CYS A 54 49.069 27.545 26.668 1.00 20.00 C ATOM 740 C CYS A 54 49.198 26.908 28.065 1.00 20.00 C ATOM 741 O CYS A 54 50.169 26.197 28.340 1.00 20.00 O ATOM 742 CB CYS A 54 48.232 26.613 25.774 1.00 20.00 C ATOM 743 SG CYS A 54 47.818 27.222 24.112 1.00 20.00 S ATOM 0 H CYS A 54 51.071 27.054 26.484 1.00 20.00 H new ATOM 0 HA CYS A 54 48.578 28.516 26.736 1.00 20.00 H new ATOM 0 HB2 CYS A 54 48.771 25.672 25.666 1.00 20.00 H new ATOM 0 HB3 CYS A 54 47.301 26.389 26.295 1.00 20.00 H new ATOM 748 N LYS A 55 48.201 27.129 28.935 1.00 20.00 N ATOM 749 CA LYS A 55 48.103 26.539 30.264 1.00 20.00 C ATOM 750 C LYS A 55 46.632 26.484 30.720 1.00 20.00 C ATOM 751 O LYS A 55 46.125 27.444 31.303 1.00 20.00 O ATOM 752 CB LYS A 55 48.965 27.371 31.218 1.00 20.00 C ATOM 753 CG LYS A 55 49.183 26.652 32.558 1.00 20.00 C ATOM 754 CD LYS A 55 49.950 27.517 33.571 1.00 20.00 C ATOM 755 CE LYS A 55 49.178 28.769 34.019 1.00 20.00 C ATOM 756 NZ LYS A 55 47.910 28.424 34.692 1.00 20.00 N ATOM 0 H LYS A 55 47.418 27.745 28.718 1.00 20.00 H new ATOM 0 HA LYS A 55 48.468 25.512 30.256 1.00 20.00 H new ATOM 0 HB2 LYS A 55 49.930 27.575 30.753 1.00 20.00 H new ATOM 0 HB3 LYS A 55 48.486 28.334 31.395 1.00 20.00 H new ATOM 0 HG2 LYS A 55 48.217 26.375 32.980 1.00 20.00 H new ATOM 0 HG3 LYS A 55 49.733 25.727 32.385 1.00 20.00 H new ATOM 0 HD2 LYS A 55 50.186 26.913 34.447 1.00 20.00 H new ATOM 0 HD3 LYS A 55 50.899 27.823 33.130 1.00 20.00 H new ATOM 0 HE2 LYS A 55 49.800 29.356 34.695 1.00 20.00 H new ATOM 0 HE3 LYS A 55 48.970 29.396 33.152 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 47.487 29.283 35.097 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 47.253 28.007 34.002 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 48.096 27.738 35.452 1.00 20.00 H new ATOM 770 N GLU A 56 45.944 25.363 30.455 1.00 20.00 N ATOM 771 CA GLU A 56 44.577 25.103 30.925 1.00 20.00 C ATOM 772 C GLU A 56 44.313 23.591 31.036 1.00 20.00 C ATOM 773 O GLU A 56 45.217 22.776 30.854 1.00 20.00 O ATOM 774 CB GLU A 56 43.567 25.798 29.987 1.00 20.00 C ATOM 775 CG GLU A 56 42.280 26.297 30.659 1.00 20.00 C ATOM 776 CD GLU A 56 42.535 27.425 31.661 1.00 20.00 C ATOM 777 OE1 GLU A 56 42.545 28.597 31.223 1.00 20.00 O ATOM 778 OE2 GLU A 56 42.719 27.110 32.858 1.00 20.00 O ATOM 0 H GLU A 56 46.329 24.600 29.899 1.00 20.00 H new ATOM 0 HA GLU A 56 44.454 25.518 31.925 1.00 20.00 H new ATOM 0 HB2 GLU A 56 44.061 26.646 29.513 1.00 20.00 H new ATOM 0 HB3 GLU A 56 43.296 25.102 29.193 1.00 20.00 H new ATOM 0 HG2 GLU A 56 41.587 26.647 29.893 1.00 20.00 H new ATOM 0 HG3 GLU A 56 41.796 25.465 31.170 1.00 20.00 H new ATOM 785 N LEU A 57 43.065 23.221 31.350 1.00 20.00 N ATOM 786 CA LEU A 57 42.591 21.850 31.504 1.00 20.00 C ATOM 787 C LEU A 57 42.810 20.975 30.262 1.00 20.00 C ATOM 788 O LEU A 57 42.919 21.468 29.138 1.00 20.00 O ATOM 789 CB LEU A 57 41.116 21.870 31.956 1.00 20.00 C ATOM 790 CG LEU A 57 40.075 22.471 30.980 1.00 20.00 C ATOM 791 CD1 LEU A 57 39.568 21.473 29.928 1.00 20.00 C ATOM 792 CD2 LEU A 57 38.853 22.958 31.769 1.00 20.00 C ATOM 0 H LEU A 57 42.327 23.907 31.510 1.00 20.00 H new ATOM 0 HA LEU A 57 43.197 21.375 32.275 1.00 20.00 H new ATOM 0 HB2 LEU A 57 40.818 20.845 32.175 1.00 20.00 H new ATOM 0 HB3 LEU A 57 41.059 22.426 32.892 1.00 20.00 H new ATOM 0 HG LEU A 57 40.587 23.282 30.462 1.00 20.00 H new ATOM 0 HD11 LEU A 57 38.842 21.965 29.280 1.00 20.00 H new ATOM 0 HD12 LEU A 57 40.407 21.118 29.329 1.00 20.00 H new ATOM 0 HD13 LEU A 57 39.095 20.627 30.427 1.00 20.00 H new ATOM 0 HD21 LEU A 57 38.121 23.381 31.081 1.00 20.00 H new ATOM 0 HD22 LEU A 57 38.407 22.119 32.303 1.00 20.00 H new ATOM 0 HD23 LEU A 57 39.162 23.721 32.484 1.00 20.00 H new ATOM 804 N GLN A 58 42.818 19.658 30.495 1.00 20.00 N ATOM 805 CA GLN A 58 42.909 18.599 29.502 1.00 20.00 C ATOM 806 C GLN A 58 41.677 17.680 29.502 1.00 20.00 C ATOM 807 O GLN A 58 41.533 16.883 28.581 1.00 20.00 O ATOM 808 CB GLN A 58 44.224 17.837 29.720 1.00 20.00 C ATOM 809 CG GLN A 58 44.310 17.055 31.039 1.00 20.00 C ATOM 810 CD GLN A 58 45.584 16.218 31.106 1.00 20.00 C ATOM 811 OE1 GLN A 58 46.584 16.637 31.685 1.00 20.00 O ATOM 812 NE2 GLN A 58 45.558 15.026 30.512 1.00 20.00 N ATOM 0 H GLN A 58 42.757 19.287 31.443 1.00 20.00 H new ATOM 0 HA GLN A 58 42.918 19.041 28.506 1.00 20.00 H new ATOM 0 HB2 GLN A 58 44.365 17.141 28.893 1.00 20.00 H new ATOM 0 HB3 GLN A 58 45.049 18.548 29.682 1.00 20.00 H new ATOM 0 HG2 GLN A 58 44.284 17.750 31.878 1.00 20.00 H new ATOM 0 HG3 GLN A 58 43.440 16.405 31.136 1.00 20.00 H new ATOM 0 HE21 GLN A 58 44.711 14.710 30.040 1.00 20.00 H new ATOM 0 HE22 GLN A 58 46.385 14.430 30.529 1.00 20.00 H new ATOM 821 N ALA A 59 40.771 17.807 30.486 1.00 20.00 N ATOM 822 CA ALA A 59 39.580 16.973 30.644 1.00 20.00 C ATOM 823 C ALA A 59 38.574 17.090 29.486 1.00 20.00 C ATOM 824 O ALA A 59 37.763 16.182 29.304 1.00 20.00 O ATOM 825 CB ALA A 59 38.899 17.336 31.967 1.00 20.00 C ATOM 0 H ALA A 59 40.855 18.517 31.213 1.00 20.00 H new ATOM 0 HA ALA A 59 39.914 15.935 30.640 1.00 20.00 H new ATOM 0 HB1 ALA A 59 38.008 16.721 32.098 1.00 20.00 H new ATOM 0 HB2 ALA A 59 39.588 17.157 32.792 1.00 20.00 H new ATOM 0 HB3 ALA A 59 38.615 18.388 31.953 1.00 20.00 H new ATOM 831 N GLU A 60 38.640 18.174 28.696 1.00 20.00 N ATOM 832 CA GLU A 60 37.788 18.427 27.531 1.00 20.00 C ATOM 833 C GLU A 60 38.615 18.681 26.263 1.00 20.00 C ATOM 834 O GLU A 60 38.088 18.554 25.157 1.00 20.00 O ATOM 835 CB GLU A 60 36.847 19.613 27.803 1.00 20.00 C ATOM 836 CG GLU A 60 36.058 19.448 29.109 1.00 20.00 C ATOM 837 CD GLU A 60 34.889 20.427 29.214 1.00 20.00 C ATOM 838 OE1 GLU A 60 33.741 19.947 29.343 1.00 20.00 O ATOM 839 OE2 GLU A 60 35.149 21.650 29.159 1.00 20.00 O ATOM 0 H GLU A 60 39.313 18.923 28.860 1.00 20.00 H new ATOM 0 HA GLU A 60 37.192 17.531 27.360 1.00 20.00 H new ATOM 0 HB2 GLU A 60 37.430 20.533 27.848 1.00 20.00 H new ATOM 0 HB3 GLU A 60 36.150 19.718 26.972 1.00 20.00 H new ATOM 0 HG2 GLU A 60 35.680 18.428 29.175 1.00 20.00 H new ATOM 0 HG3 GLU A 60 36.728 19.595 29.956 1.00 20.00 H new ATOM 846 N SER A 61 39.906 19.006 26.425 1.00 20.00 N ATOM 847 CA SER A 61 40.856 19.230 25.338 1.00 20.00 C ATOM 848 C SER A 61 41.403 17.929 24.723 1.00 20.00 C ATOM 849 O SER A 61 41.904 17.952 23.597 1.00 20.00 O ATOM 850 CB SER A 61 42.029 20.046 25.860 1.00 20.00 C ATOM 851 OG SER A 61 42.777 20.477 24.750 1.00 20.00 O ATOM 0 H SER A 61 40.326 19.123 27.347 1.00 20.00 H new ATOM 0 HA SER A 61 40.313 19.757 24.554 1.00 20.00 H new ATOM 0 HB2 SER A 61 41.674 20.900 26.437 1.00 20.00 H new ATOM 0 HB3 SER A 61 42.646 19.445 26.527 1.00 20.00 H new ATOM 0 HG SER A 61 42.664 19.841 24.013 1.00 20.00 H new ATOM 857 N ALA A 62 41.330 16.809 25.459 1.00 20.00 N ATOM 858 CA ALA A 62 41.898 15.514 25.084 1.00 20.00 C ATOM 859 C ALA A 62 41.197 14.831 23.898 1.00 20.00 C ATOM 860 O ALA A 62 41.633 13.759 23.478 1.00 20.00 O ATOM 861 CB ALA A 62 41.878 14.608 26.312 1.00 20.00 C ATOM 0 H ALA A 62 40.856 16.784 26.362 1.00 20.00 H new ATOM 0 HA ALA A 62 42.916 15.695 24.740 1.00 20.00 H new ATOM 0 HB1 ALA A 62 42.298 13.636 26.054 1.00 20.00 H new ATOM 0 HB2 ALA A 62 42.471 15.060 27.107 1.00 20.00 H new ATOM 0 HB3 ALA A 62 40.851 14.480 26.653 1.00 20.00 H new ATOM 867 N SER A 63 40.154 15.455 23.334 1.00 20.00 N ATOM 868 CA SER A 63 39.563 15.093 22.047 1.00 20.00 C ATOM 869 C SER A 63 40.607 15.121 20.916 1.00 20.00 C ATOM 870 O SER A 63 40.671 14.170 20.138 1.00 20.00 O ATOM 871 CB SER A 63 38.395 16.034 21.743 1.00 20.00 C ATOM 872 OG SER A 63 37.770 15.653 20.537 1.00 20.00 O ATOM 0 H SER A 63 39.688 16.247 23.776 1.00 20.00 H new ATOM 0 HA SER A 63 39.192 14.070 22.108 1.00 20.00 H new ATOM 0 HB2 SER A 63 37.674 16.008 22.560 1.00 20.00 H new ATOM 0 HB3 SER A 63 38.754 17.060 21.668 1.00 20.00 H new ATOM 0 HG SER A 63 37.023 16.259 20.350 1.00 20.00 H new ATOM 878 N CYS A 64 41.450 16.167 20.852 1.00 20.00 N ATOM 879 CA CYS A 64 42.608 16.248 19.952 1.00 20.00 C ATOM 880 C CYS A 64 43.750 15.285 20.333 1.00 20.00 C ATOM 881 O CYS A 64 44.701 15.152 19.563 1.00 20.00 O ATOM 882 CB CYS A 64 43.112 17.700 19.879 1.00 20.00 C ATOM 883 SG CYS A 64 42.387 18.630 18.496 1.00 20.00 S ATOM 0 H CYS A 64 41.341 16.995 21.438 1.00 20.00 H new ATOM 0 HA CYS A 64 42.269 15.928 18.967 1.00 20.00 H new ATOM 0 HB2 CYS A 64 42.878 18.208 20.814 1.00 20.00 H new ATOM 0 HB3 CYS A 64 44.197 17.698 19.780 1.00 20.00 H new ATOM 888 N GLY A 65 43.648 14.590 21.475 1.00 20.00 N ATOM 889 CA GLY A 65 44.574 13.560 21.930 1.00 20.00 C ATOM 890 C GLY A 65 45.479 14.049 23.061 1.00 20.00 C ATOM 891 O GLY A 65 45.246 15.106 23.650 1.00 20.00 O ATOM 0 H GLY A 65 42.882 14.742 22.131 1.00 20.00 H new ATOM 0 HA2 GLY A 65 44.009 12.692 22.270 1.00 20.00 H new ATOM 0 HA3 GLY A 65 45.189 13.232 21.092 1.00 20.00 H new ATOM 895 N LYS A 66 46.532 13.266 23.340 1.00 20.00 N ATOM 896 CA LYS A 66 47.671 13.611 24.199 1.00 20.00 C ATOM 897 C LYS A 66 48.629 14.569 23.467 1.00 20.00 C ATOM 898 O LYS A 66 49.845 14.377 23.457 1.00 20.00 O ATOM 899 CB LYS A 66 48.384 12.319 24.647 1.00 20.00 C ATOM 900 CG LYS A 66 47.491 11.355 25.449 1.00 20.00 C ATOM 901 CD LYS A 66 48.199 10.045 25.843 1.00 20.00 C ATOM 902 CE LYS A 66 49.018 10.118 27.139 1.00 20.00 C ATOM 903 NZ LYS A 66 50.234 10.940 27.008 1.00 20.00 N ATOM 0 H LYS A 66 46.615 12.327 22.951 1.00 20.00 H new ATOM 0 HA LYS A 66 47.315 14.131 25.088 1.00 20.00 H new ATOM 0 HB2 LYS A 66 48.761 11.800 23.766 1.00 20.00 H new ATOM 0 HB3 LYS A 66 49.249 12.586 25.254 1.00 20.00 H new ATOM 0 HG2 LYS A 66 47.146 11.858 26.352 1.00 20.00 H new ATOM 0 HG3 LYS A 66 46.606 11.117 24.859 1.00 20.00 H new ATOM 0 HD2 LYS A 66 47.449 9.261 25.948 1.00 20.00 H new ATOM 0 HD3 LYS A 66 48.860 9.747 25.029 1.00 20.00 H new ATOM 0 HE2 LYS A 66 48.394 10.527 27.934 1.00 20.00 H new ATOM 0 HE3 LYS A 66 49.299 9.109 27.442 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 50.944 10.622 27.698 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 50.618 10.841 26.046 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 50.000 11.937 27.187 1.00 20.00 H new ATOM 917 N GLY A 67 48.052 15.598 22.838 1.00 20.00 N ATOM 918 CA GLY A 67 48.709 16.554 21.967 1.00 20.00 C ATOM 919 C GLY A 67 48.051 17.936 21.978 1.00 20.00 C ATOM 920 O GLY A 67 48.500 18.789 21.222 1.00 20.00 O ATOM 0 H GLY A 67 47.055 15.789 22.935 1.00 20.00 H new ATOM 0 HA2 GLY A 67 49.752 16.653 22.269 1.00 20.00 H new ATOM 0 HA3 GLY A 67 48.708 16.167 20.948 1.00 20.00 H new ATOM 924 N GLN A 68 47.022 18.177 22.810 1.00 20.00 N ATOM 925 CA GLN A 68 46.418 19.492 22.997 1.00 20.00 C ATOM 926 C GLN A 68 46.019 19.706 24.466 1.00 20.00 C ATOM 927 O GLN A 68 45.676 18.763 25.180 1.00 20.00 O ATOM 928 CB GLN A 68 45.190 19.642 22.078 1.00 20.00 C ATOM 929 CG GLN A 68 44.863 21.113 21.764 1.00 20.00 C ATOM 930 CD GLN A 68 43.362 21.411 21.698 1.00 20.00 C ATOM 931 OE1 GLN A 68 42.614 20.766 20.970 1.00 20.00 O ATOM 932 NE2 GLN A 68 42.901 22.416 22.441 1.00 20.00 N ATOM 0 H GLN A 68 46.587 17.448 23.375 1.00 20.00 H new ATOM 0 HA GLN A 68 47.153 20.252 22.733 1.00 20.00 H new ATOM 0 HB2 GLN A 68 45.371 19.107 21.146 1.00 20.00 H new ATOM 0 HB3 GLN A 68 44.327 19.175 22.552 1.00 20.00 H new ATOM 0 HG2 GLN A 68 45.317 21.747 22.526 1.00 20.00 H new ATOM 0 HG3 GLN A 68 45.320 21.382 20.812 1.00 20.00 H new ATOM 0 HE21 GLN A 68 43.538 22.941 23.040 1.00 20.00 H new ATOM 0 HE22 GLN A 68 41.911 22.660 22.411 1.00 20.00 H new ATOM 941 N LYS A 69 45.997 20.981 24.867 1.00 20.00 N ATOM 942 CA LYS A 69 45.391 21.523 26.081 1.00 20.00 C ATOM 943 C LYS A 69 44.563 22.754 25.692 1.00 20.00 C ATOM 944 O LYS A 69 44.903 23.449 24.731 1.00 20.00 O ATOM 945 CB LYS A 69 46.455 21.841 27.142 1.00 20.00 C ATOM 946 CG LYS A 69 47.636 22.690 26.637 1.00 20.00 C ATOM 947 CD LYS A 69 48.494 23.226 27.788 1.00 20.00 C ATOM 948 CE LYS A 69 49.203 22.103 28.535 1.00 20.00 C ATOM 949 NZ LYS A 69 50.066 22.624 29.600 1.00 20.00 N ATOM 0 H LYS A 69 46.436 21.713 24.308 1.00 20.00 H new ATOM 0 HA LYS A 69 44.733 20.783 26.537 1.00 20.00 H new ATOM 0 HB2 LYS A 69 45.977 22.365 27.970 1.00 20.00 H new ATOM 0 HB3 LYS A 69 46.843 20.903 27.539 1.00 20.00 H new ATOM 0 HG2 LYS A 69 48.256 22.089 25.973 1.00 20.00 H new ATOM 0 HG3 LYS A 69 47.256 23.525 26.049 1.00 20.00 H new ATOM 0 HD2 LYS A 69 49.233 23.925 27.396 1.00 20.00 H new ATOM 0 HD3 LYS A 69 47.865 23.783 28.482 1.00 20.00 H new ATOM 0 HE2 LYS A 69 48.463 21.427 28.963 1.00 20.00 H new ATOM 0 HE3 LYS A 69 49.800 21.520 27.834 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 50.533 21.832 30.087 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 50.787 23.250 29.188 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 49.491 23.160 30.282 1.00 20.00 H new ATOM 963 N CYS A 70 43.461 23.009 26.416 1.00 20.00 N ATOM 964 CA CYS A 70 42.526 24.074 26.065 1.00 20.00 C ATOM 965 C CYS A 70 43.218 25.446 26.086 1.00 20.00 C ATOM 966 O CYS A 70 44.108 25.692 26.901 1.00 20.00 O ATOM 967 CB CYS A 70 41.298 24.034 26.982 1.00 20.00 C ATOM 968 SG CYS A 70 39.836 24.745 26.187 1.00 20.00 S ATOM 0 H CYS A 70 43.201 22.485 27.252 1.00 20.00 H new ATOM 0 HA CYS A 70 42.179 23.910 25.045 1.00 20.00 H new ATOM 0 HB2 CYS A 70 41.091 23.002 27.266 1.00 20.00 H new ATOM 0 HB3 CYS A 70 41.513 24.580 27.900 1.00 20.00 H new ATOM 973 N CYS A 71 42.844 26.322 25.145 1.00 20.00 N ATOM 974 CA CYS A 71 43.520 27.599 24.914 1.00 20.00 C ATOM 975 C CYS A 71 42.631 28.630 24.192 1.00 20.00 C ATOM 976 O CYS A 71 43.110 29.713 23.855 1.00 20.00 O ATOM 977 CB CYS A 71 44.813 27.301 24.137 1.00 20.00 C ATOM 978 SG CYS A 71 46.200 28.438 24.389 1.00 20.00 S ATOM 0 H CYS A 71 42.056 26.160 24.518 1.00 20.00 H new ATOM 0 HA CYS A 71 43.752 28.065 25.871 1.00 20.00 H new ATOM 0 HB2 CYS A 71 45.145 26.297 24.402 1.00 20.00 H new ATOM 0 HB3 CYS A 71 44.574 27.287 23.074 1.00 20.00 H new ATOM 983 N VAL A 72 41.352 28.306 23.946 1.00 20.00 N ATOM 984 CA VAL A 72 40.381 29.156 23.256 1.00 20.00 C ATOM 985 C VAL A 72 39.814 30.244 24.187 1.00 20.00 C ATOM 986 O VAL A 72 39.881 30.123 25.411 1.00 20.00 O ATOM 987 CB VAL A 72 39.291 28.252 22.640 1.00 20.00 C ATOM 988 CG1 VAL A 72 38.315 27.661 23.668 1.00 20.00 C ATOM 989 CG2 VAL A 72 38.510 28.966 21.535 1.00 20.00 C ATOM 0 H VAL A 72 40.956 27.412 24.234 1.00 20.00 H new ATOM 0 HA VAL A 72 40.870 29.703 22.450 1.00 20.00 H new ATOM 0 HB VAL A 72 39.842 27.417 22.207 1.00 20.00 H new ATOM 0 HG11 VAL A 72 37.581 27.039 23.157 1.00 20.00 H new ATOM 0 HG12 VAL A 72 38.867 27.055 24.387 1.00 20.00 H new ATOM 0 HG13 VAL A 72 37.804 28.469 24.191 1.00 20.00 H new ATOM 0 HG21 VAL A 72 37.754 28.293 21.130 1.00 20.00 H new ATOM 0 HG22 VAL A 72 38.025 29.851 21.946 1.00 20.00 H new ATOM 0 HG23 VAL A 72 39.194 29.263 20.740 1.00 20.00 H new ATOM 999 N TRP A 73 39.246 31.303 23.592 1.00 20.00 N ATOM 1000 CA TRP A 73 38.761 32.501 24.275 1.00 20.00 C ATOM 1001 C TRP A 73 37.356 32.937 23.827 1.00 20.00 C ATOM 1002 O TRP A 73 36.742 32.319 22.956 1.00 20.00 O ATOM 1003 CB TRP A 73 39.823 33.604 24.126 1.00 20.00 C ATOM 1004 CG TRP A 73 40.257 33.927 22.726 1.00 20.00 C ATOM 1005 CD1 TRP A 73 39.490 33.838 21.623 1.00 20.00 C ATOM 1006 CD2 TRP A 73 41.564 34.364 22.260 1.00 20.00 C ATOM 1007 NE1 TRP A 73 40.218 34.202 20.506 1.00 20.00 N ATOM 1008 CE2 TRP A 73 41.511 34.538 20.846 1.00 20.00 C ATOM 1009 CE3 TRP A 73 42.792 34.617 22.900 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 42.628 34.965 20.105 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 43.914 35.046 22.172 1.00 20.00 C ATOM 1012 CH2 TRP A 73 43.833 35.223 20.776 1.00 20.00 C ATOM 0 H TRP A 73 39.109 31.345 22.582 1.00 20.00 H new ATOM 0 HA TRP A 73 38.627 32.277 25.333 1.00 20.00 H new ATOM 0 HB2 TRP A 73 39.436 34.515 24.583 1.00 20.00 H new ATOM 0 HB3 TRP A 73 40.703 33.310 24.698 1.00 20.00 H new ATOM 0 HD1 TRP A 73 38.456 33.527 21.613 1.00 20.00 H new ATOM 0 HE1 TRP A 73 39.848 34.220 19.556 1.00 20.00 H new ATOM 0 HE3 TRP A 73 42.873 34.479 23.968 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 42.559 35.092 19.035 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 44.844 35.241 22.685 1.00 20.00 H new ATOM 0 HH2 TRP A 73 44.698 35.557 20.223 1.00 20.00 H new ATOM 1023 N LEU A 74 36.864 34.020 24.441 1.00 20.00 N ATOM 1024 CA LEU A 74 35.679 34.767 24.027 1.00 20.00 C ATOM 1025 C LEU A 74 35.979 35.640 22.800 1.00 20.00 C ATOM 1026 O LEU A 74 37.120 36.039 22.566 1.00 20.00 O ATOM 1027 CB LEU A 74 35.229 35.666 25.195 1.00 20.00 C ATOM 1028 CG LEU A 74 34.369 34.931 26.241 1.00 20.00 C ATOM 1029 CD1 LEU A 74 34.427 35.666 27.584 1.00 20.00 C ATOM 1030 CD2 LEU A 74 32.905 34.852 25.784 1.00 20.00 C ATOM 0 H LEU A 74 37.302 34.413 25.274 1.00 20.00 H new ATOM 0 HA LEU A 74 34.892 34.062 23.760 1.00 20.00 H new ATOM 0 HB2 LEU A 74 36.110 36.078 25.686 1.00 20.00 H new ATOM 0 HB3 LEU A 74 34.662 36.508 24.797 1.00 20.00 H new ATOM 0 HG LEU A 74 34.767 33.922 26.352 1.00 20.00 H new ATOM 0 HD11 LEU A 74 33.815 35.137 28.315 1.00 20.00 H new ATOM 0 HD12 LEU A 74 35.459 35.704 27.934 1.00 20.00 H new ATOM 0 HD13 LEU A 74 34.048 36.681 27.460 1.00 20.00 H new ATOM 0 HD21 LEU A 74 32.316 34.329 26.538 1.00 20.00 H new ATOM 0 HD22 LEU A 74 32.511 35.859 25.650 1.00 20.00 H new ATOM 0 HD23 LEU A 74 32.847 34.311 24.839 1.00 20.00 H new ATOM 1042 N HIS A 75 34.920 35.977 22.056 1.00 20.00 N ATOM 1043 CA HIS A 75 34.925 36.921 20.945 1.00 20.00 C ATOM 1044 C HIS A 75 34.855 38.349 21.497 1.00 20.00 C ATOM 1045 O HIS A 75 33.801 38.704 22.070 1.00 20.00 O ATOM 1046 CB HIS A 75 33.746 36.590 20.020 1.00 20.00 C ATOM 1047 CG HIS A 75 33.765 37.308 18.695 1.00 20.00 C ATOM 1048 ND1 HIS A 75 33.076 38.465 18.387 1.00 20.00 N ATOM 1049 CD2 HIS A 75 34.378 36.861 17.558 1.00 20.00 C ATOM 1050 CE1 HIS A 75 33.264 38.710 17.077 1.00 20.00 C ATOM 1051 NE2 HIS A 75 34.056 37.753 16.555 1.00 20.00 N ATOM 1052 OXT HIS A 75 35.869 39.068 21.368 1.00 20.00 O ATOM 0 H HIS A 75 33.996 35.578 22.224 1.00 20.00 H new ATOM 0 HA HIS A 75 35.843 36.844 20.362 1.00 20.00 H new ATOM 0 HB2 HIS A 75 33.737 35.516 19.836 1.00 20.00 H new ATOM 0 HB3 HIS A 75 32.817 36.833 20.536 1.00 20.00 H new ATOM 0 HD1 HIS A 75 32.526 39.030 19.034 1.00 20.00 H new ATOM 0 HD2 HIS A 75 34.995 35.980 17.463 1.00 20.00 H new ATOM 0 HE1 HIS A 75 32.846 39.542 16.530 1.00 20.00 H new TER 1061 HIS A 75