USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 443 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 47 ASN : amide:sc= 1.58 K(o=2.5,f=-4.1!) USER MOD Set 1.2: A 49 THR OG1 : rot -170:sc= 0.899 USER MOD Set 2.1: A 35 TYR OH : rot 158:sc= 0.791 USER MOD Set 2.2: A 37 SER OG : rot -115:sc= 1.95 USER MOD Set 3.1: A 9 SER OG : rot -17:sc= 1.21 USER MOD Set 3.2: A 10 HIS : no HE2:sc= 0.0634 K(o=1.3,f=-0.28) USER MOD Set 4.1: A 2 THR OG1 : rot 99:sc= 2.11 USER MOD Set 4.2: A 5 GLN : amide:sc= 1.18 K(o=3.3,f=1.1) USER MOD Single : A 1 LEU N :NH3+ -117:sc= -0.0968 (180deg=-1.61) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 0.0367 (180deg=-0.0371) USER MOD Single : A 15 HIS : no HE2:sc= -0.236 K(o=-0.24,f=-3.8!) USER MOD Single : A 18 SER OG : rot -73:sc= 0.928 USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0.913 (180deg=0.847) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 28 ASN : amide:sc= 0.873 K(o=0.87,f=-0.063) USER MOD Single : A 29 TYR OH : rot 15:sc= 1.26 USER MOD Single : A 33 GLN : amide:sc= 2.99 K(o=3,f=-7.5!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.007) USER MOD Single : A 54 THR OG1 : rot -65:sc= 1.98 USER MOD Single : A 56 SER OG : rot 180:sc=-0.00794 USER MOD Single : A 59 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.1) USER MOD Single : A 60 HIS : no HE2:sc= -1.97 K(o=-2,f=-4.2!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.802 8.861 0.812 1.00 0.00 N ATOM 2 CA LEU A 1 14.490 8.542 0.260 1.00 0.00 C ATOM 3 C LEU A 1 13.388 9.000 1.231 1.00 0.00 C ATOM 4 O LEU A 1 13.639 9.224 2.415 1.00 0.00 O ATOM 5 CB LEU A 1 14.411 7.025 -0.025 1.00 0.00 C ATOM 6 CG LEU A 1 14.978 6.575 -1.387 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.459 6.910 -1.591 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.825 5.057 -1.525 1.00 0.00 C ATOM 0 H1 LEU A 1 16.285 9.540 0.189 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.689 9.278 1.758 1.00 0.00 H new ATOM 0 H3 LEU A 1 16.369 7.992 0.883 1.00 0.00 H new ATOM 0 HA LEU A 1 14.340 9.072 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 1 14.946 6.496 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.368 6.716 0.035 1.00 0.00 H new ATOM 0 HG LEU A 1 14.409 7.122 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.779 6.560 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.600 7.989 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 1 17.053 6.419 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.225 4.737 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 1 15.371 4.562 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 1 13.770 4.791 -1.464 1.00 0.00 H new ATOM 20 N THR A 2 12.156 9.122 0.729 1.00 0.00 N ATOM 21 CA THR A 2 10.943 9.426 1.496 1.00 0.00 C ATOM 22 C THR A 2 10.322 8.151 2.076 1.00 0.00 C ATOM 23 O THR A 2 10.561 7.068 1.555 1.00 0.00 O ATOM 24 CB THR A 2 9.910 10.109 0.588 1.00 0.00 C ATOM 25 OG1 THR A 2 9.756 9.346 -0.586 1.00 0.00 O ATOM 26 CG2 THR A 2 10.322 11.520 0.173 1.00 0.00 C ATOM 0 H THR A 2 11.968 9.007 -0.267 1.00 0.00 H new ATOM 0 HA THR A 2 11.223 10.088 2.315 1.00 0.00 H new ATOM 0 HB THR A 2 8.984 10.179 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.956 8.786 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.552 11.950 -0.467 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.443 12.140 1.061 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.265 11.478 -0.372 1.00 0.00 H new ATOM 34 N LYS A 3 9.469 8.256 3.108 1.00 0.00 N ATOM 35 CA LYS A 3 8.965 7.113 3.894 1.00 0.00 C ATOM 36 C LYS A 3 8.479 5.915 3.061 1.00 0.00 C ATOM 37 O LYS A 3 8.953 4.795 3.258 1.00 0.00 O ATOM 38 CB LYS A 3 7.909 7.610 4.897 1.00 0.00 C ATOM 39 CG LYS A 3 7.498 6.481 5.850 1.00 0.00 C ATOM 40 CD LYS A 3 6.595 6.964 6.990 1.00 0.00 C ATOM 41 CE LYS A 3 6.055 5.777 7.798 1.00 0.00 C ATOM 42 NZ LYS A 3 7.138 4.982 8.413 1.00 0.00 N ATOM 0 H LYS A 3 9.102 9.153 3.427 1.00 0.00 H new ATOM 0 HA LYS A 3 9.816 6.703 4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.308 8.448 5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.034 7.977 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.979 5.706 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.393 6.023 6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.155 7.631 7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.764 7.540 6.583 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.388 6.144 8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.461 5.136 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.727 4.264 9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.690 4.512 7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.760 5.609 8.962 1.00 0.00 H new ATOM 56 N CYS A 4 7.572 6.149 2.106 1.00 0.00 N ATOM 57 CA CYS A 4 7.105 5.105 1.192 1.00 0.00 C ATOM 58 C CYS A 4 8.270 4.487 0.404 1.00 0.00 C ATOM 59 O CYS A 4 8.494 3.280 0.482 1.00 0.00 O ATOM 60 CB CYS A 4 6.030 5.676 0.264 1.00 0.00 C ATOM 61 SG CYS A 4 5.222 4.433 -0.770 1.00 0.00 S ATOM 0 H CYS A 4 7.145 7.061 1.947 1.00 0.00 H new ATOM 0 HA CYS A 4 6.662 4.298 1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.275 6.181 0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.482 6.431 -0.379 1.00 0.00 H new ATOM 66 N GLN A 5 9.039 5.322 -0.305 1.00 0.00 N ATOM 67 CA GLN A 5 10.207 4.901 -1.078 1.00 0.00 C ATOM 68 C GLN A 5 11.227 4.129 -0.232 1.00 0.00 C ATOM 69 O GLN A 5 11.722 3.108 -0.695 1.00 0.00 O ATOM 70 CB GLN A 5 10.861 6.121 -1.751 1.00 0.00 C ATOM 71 CG GLN A 5 9.994 6.712 -2.869 1.00 0.00 C ATOM 72 CD GLN A 5 10.749 7.788 -3.645 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.190 7.582 -4.763 1.00 0.00 O ATOM 74 NE2 GLN A 5 10.932 8.967 -3.086 1.00 0.00 N ATOM 0 H GLN A 5 8.862 6.325 -0.357 1.00 0.00 H new ATOM 0 HA GLN A 5 9.859 4.211 -1.847 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.051 6.888 -1.000 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.828 5.830 -2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.684 5.919 -3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.086 7.138 -2.442 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.567 9.150 -2.151 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.438 9.696 -3.588 1.00 0.00 H new ATOM 83 N GLU A 6 11.501 4.563 1.006 1.00 0.00 N ATOM 84 CA GLU A 6 12.377 3.880 1.957 1.00 0.00 C ATOM 85 C GLU A 6 11.878 2.460 2.194 1.00 0.00 C ATOM 86 O GLU A 6 12.593 1.517 1.865 1.00 0.00 O ATOM 87 CB GLU A 6 12.444 4.633 3.293 1.00 0.00 C ATOM 88 CG GLU A 6 13.272 5.919 3.210 1.00 0.00 C ATOM 89 CD GLU A 6 13.214 6.713 4.514 1.00 0.00 C ATOM 90 OE1 GLU A 6 12.183 7.390 4.727 1.00 0.00 O ATOM 91 OE2 GLU A 6 14.187 6.611 5.293 1.00 0.00 O ATOM 0 H GLU A 6 11.105 5.425 1.381 1.00 0.00 H new ATOM 0 HA GLU A 6 13.380 3.851 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.433 4.878 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.873 3.979 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.308 5.671 2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.904 6.537 2.391 1.00 0.00 H new ATOM 98 N GLU A 7 10.649 2.298 2.702 1.00 0.00 N ATOM 99 CA GLU A 7 10.087 0.968 2.963 1.00 0.00 C ATOM 100 C GLU A 7 10.100 0.088 1.706 1.00 0.00 C ATOM 101 O GLU A 7 10.550 -1.059 1.759 1.00 0.00 O ATOM 102 CB GLU A 7 8.662 1.070 3.535 1.00 0.00 C ATOM 103 CG GLU A 7 8.619 1.343 5.051 1.00 0.00 C ATOM 104 CD GLU A 7 8.183 2.763 5.415 1.00 0.00 C ATOM 105 OE1 GLU A 7 7.029 3.111 5.070 1.00 0.00 O ATOM 106 OE2 GLU A 7 8.973 3.455 6.095 1.00 0.00 O ATOM 0 H GLU A 7 10.027 3.070 2.940 1.00 0.00 H new ATOM 0 HA GLU A 7 10.724 0.492 3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.128 1.867 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.130 0.142 3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.936 0.633 5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.608 1.158 5.471 1.00 0.00 H new ATOM 113 N VAL A 8 9.668 0.633 0.564 1.00 0.00 N ATOM 114 CA VAL A 8 9.637 -0.090 -0.715 1.00 0.00 C ATOM 115 C VAL A 8 11.049 -0.477 -1.185 1.00 0.00 C ATOM 116 O VAL A 8 11.223 -1.532 -1.793 1.00 0.00 O ATOM 117 CB VAL A 8 8.868 0.730 -1.769 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.809 0.073 -3.154 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.399 0.881 -1.347 1.00 0.00 C ATOM 0 H VAL A 8 9.328 1.592 0.499 1.00 0.00 H new ATOM 0 HA VAL A 8 9.102 -1.029 -0.570 1.00 0.00 H new ATOM 0 HB VAL A 8 9.411 1.673 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.251 0.713 -3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.821 -0.067 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.313 -0.895 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.863 1.462 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.943 -0.105 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.347 1.393 -0.386 1.00 0.00 H new ATOM 129 N SER A 9 12.067 0.324 -0.849 1.00 0.00 N ATOM 130 CA SER A 9 13.497 0.024 -1.028 1.00 0.00 C ATOM 131 C SER A 9 14.124 -0.899 0.034 1.00 0.00 C ATOM 132 O SER A 9 15.313 -1.212 -0.075 1.00 0.00 O ATOM 133 CB SER A 9 14.297 1.333 -1.083 1.00 0.00 C ATOM 134 OG SER A 9 14.463 1.941 0.181 1.00 0.00 O ATOM 0 H SER A 9 11.912 1.239 -0.426 1.00 0.00 H new ATOM 0 HA SER A 9 13.549 -0.529 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.278 1.133 -1.514 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.792 2.031 -1.751 1.00 0.00 H new ATOM 0 HG SER A 9 13.818 1.562 0.814 1.00 0.00 H new ATOM 140 N HIS A 10 13.388 -1.307 1.077 1.00 0.00 N ATOM 141 CA HIS A 10 13.950 -2.032 2.229 1.00 0.00 C ATOM 142 C HIS A 10 13.247 -3.361 2.533 1.00 0.00 C ATOM 143 O HIS A 10 13.862 -4.240 3.139 1.00 0.00 O ATOM 144 CB HIS A 10 13.995 -1.102 3.450 1.00 0.00 C ATOM 145 CG HIS A 10 14.905 0.097 3.284 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.934 0.236 2.377 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.792 1.283 3.954 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.433 1.477 2.516 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.773 2.151 3.470 1.00 0.00 N ATOM 0 H HIS A 10 12.384 -1.144 1.147 1.00 0.00 H new ATOM 0 HA HIS A 10 14.967 -2.322 1.964 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.985 -0.751 3.663 1.00 0.00 H new ATOM 0 HB3 HIS A 10 14.322 -1.675 4.317 1.00 0.00 H new ATOM 0 HD1 HIS A 10 16.258 -0.474 1.720 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.069 1.509 4.724 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.253 1.877 1.938 1.00 0.00 H new ATOM 157 N ILE A 11 11.997 -3.548 2.094 1.00 0.00 N ATOM 158 CA ILE A 11 11.338 -4.862 2.103 1.00 0.00 C ATOM 159 C ILE A 11 12.142 -5.778 1.148 1.00 0.00 C ATOM 160 O ILE A 11 12.549 -5.324 0.075 1.00 0.00 O ATOM 161 CB ILE A 11 9.852 -4.694 1.698 1.00 0.00 C ATOM 162 CG1 ILE A 11 9.097 -3.919 2.806 1.00 0.00 C ATOM 163 CG2 ILE A 11 9.137 -6.037 1.450 1.00 0.00 C ATOM 164 CD1 ILE A 11 7.745 -3.361 2.353 1.00 0.00 C ATOM 0 H ILE A 11 11.415 -2.797 1.724 1.00 0.00 H new ATOM 0 HA ILE A 11 11.329 -5.321 3.092 1.00 0.00 H new ATOM 0 HB ILE A 11 9.843 -4.142 0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.940 -4.581 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.722 -3.096 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.100 -5.851 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.640 -6.574 0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.165 -6.637 2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.274 -2.831 3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.896 -2.673 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.101 -4.181 2.034 1.00 0.00 H new ATOM 176 N PRO A 12 12.418 -7.053 1.489 1.00 0.00 N ATOM 177 CA PRO A 12 13.243 -7.918 0.644 1.00 0.00 C ATOM 178 C PRO A 12 12.565 -8.253 -0.695 1.00 0.00 C ATOM 179 O PRO A 12 11.373 -8.011 -0.891 1.00 0.00 O ATOM 180 CB PRO A 12 13.516 -9.168 1.492 1.00 0.00 C ATOM 181 CG PRO A 12 12.333 -9.219 2.457 1.00 0.00 C ATOM 182 CD PRO A 12 12.035 -7.743 2.712 1.00 0.00 C ATOM 0 HA PRO A 12 14.170 -7.423 0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.569 -10.066 0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.464 -9.091 2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.477 -9.734 2.020 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.585 -9.745 3.378 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.979 -7.589 2.936 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.600 -7.370 3.566 1.00 0.00 H new ATOM 190 N ALA A 13 13.323 -8.838 -1.629 1.00 0.00 N ATOM 191 CA ALA A 13 12.766 -9.417 -2.853 1.00 0.00 C ATOM 192 C ALA A 13 11.953 -10.682 -2.524 1.00 0.00 C ATOM 193 O ALA A 13 10.815 -10.840 -2.963 1.00 0.00 O ATOM 194 CB ALA A 13 13.909 -9.717 -3.829 1.00 0.00 C ATOM 0 H ALA A 13 14.337 -8.922 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 13 12.085 -8.708 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.503 -10.149 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 13 14.436 -8.793 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.602 -10.423 -3.372 1.00 0.00 H new ATOM 200 N VAL A 14 12.514 -11.560 -1.680 1.00 0.00 N ATOM 201 CA VAL A 14 11.834 -12.724 -1.103 1.00 0.00 C ATOM 202 C VAL A 14 10.929 -12.250 0.043 1.00 0.00 C ATOM 203 O VAL A 14 11.210 -12.463 1.220 1.00 0.00 O ATOM 204 CB VAL A 14 12.839 -13.818 -0.671 1.00 0.00 C ATOM 205 CG1 VAL A 14 12.113 -15.113 -0.276 1.00 0.00 C ATOM 206 CG2 VAL A 14 13.811 -14.177 -1.808 1.00 0.00 C ATOM 0 H VAL A 14 13.483 -11.475 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 14 11.207 -13.197 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 14 13.386 -13.406 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.845 -15.864 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.438 -14.912 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.540 -15.483 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 14 14.501 -14.948 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.248 -14.547 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.374 -13.290 -2.099 1.00 0.00 H new ATOM 216 N HIS A 15 9.838 -11.577 -0.329 1.00 0.00 N ATOM 217 CA HIS A 15 8.760 -11.144 0.564 1.00 0.00 C ATOM 218 C HIS A 15 7.365 -11.786 0.371 1.00 0.00 C ATOM 219 O HIS A 15 6.542 -11.516 1.246 1.00 0.00 O ATOM 220 CB HIS A 15 8.641 -9.613 0.539 1.00 0.00 C ATOM 221 CG HIS A 15 7.866 -9.071 -0.637 1.00 0.00 C ATOM 222 ND1 HIS A 15 6.517 -8.773 -0.663 1.00 0.00 N ATOM 223 CD2 HIS A 15 8.381 -8.770 -1.867 1.00 0.00 C ATOM 224 CE1 HIS A 15 6.243 -8.274 -1.880 1.00 0.00 C ATOM 225 NE2 HIS A 15 7.349 -8.232 -2.638 1.00 0.00 N ATOM 0 H HIS A 15 9.674 -11.308 -1.299 1.00 0.00 H new ATOM 0 HA HIS A 15 9.076 -11.516 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.160 -9.282 1.460 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.642 -9.182 0.529 1.00 0.00 H new ATOM 0 HD1 HIS A 15 5.853 -8.907 0.100 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.402 -8.921 -2.185 1.00 0.00 H new ATOM 0 HE1 HIS A 15 5.265 -7.951 -2.204 1.00 0.00 H new ATOM 233 N PRO A 16 7.029 -12.588 -0.676 1.00 0.00 N ATOM 234 CA PRO A 16 5.710 -13.219 -0.822 1.00 0.00 C ATOM 235 C PRO A 16 5.150 -13.816 0.476 1.00 0.00 C ATOM 236 O PRO A 16 5.691 -14.767 1.034 1.00 0.00 O ATOM 237 CB PRO A 16 5.853 -14.252 -1.942 1.00 0.00 C ATOM 238 CG PRO A 16 6.871 -13.581 -2.856 1.00 0.00 C ATOM 239 CD PRO A 16 7.816 -12.900 -1.867 1.00 0.00 C ATOM 0 HA PRO A 16 4.965 -12.464 -1.076 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.209 -15.213 -1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.907 -14.438 -2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.393 -14.306 -3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.401 -12.862 -3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.651 -13.554 -1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.239 -11.993 -2.299 1.00 0.00 H new ATOM 247 N GLY A 17 4.073 -13.191 0.958 1.00 0.00 N ATOM 248 CA GLY A 17 3.482 -13.385 2.280 1.00 0.00 C ATOM 249 C GLY A 17 3.291 -12.016 2.937 1.00 0.00 C ATOM 250 O GLY A 17 2.186 -11.693 3.378 1.00 0.00 O ATOM 0 H GLY A 17 3.565 -12.500 0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.525 -13.900 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.128 -14.012 2.894 1.00 0.00 H new ATOM 254 N SER A 18 4.321 -11.162 2.872 1.00 0.00 N ATOM 255 CA SER A 18 4.256 -9.746 3.235 1.00 0.00 C ATOM 256 C SER A 18 3.773 -8.886 2.071 1.00 0.00 C ATOM 257 O SER A 18 4.195 -9.058 0.923 1.00 0.00 O ATOM 258 CB SER A 18 5.647 -9.217 3.614 1.00 0.00 C ATOM 259 OG SER A 18 5.603 -7.834 3.948 1.00 0.00 O ATOM 0 H SER A 18 5.248 -11.448 2.556 1.00 0.00 H new ATOM 0 HA SER A 18 3.562 -9.681 4.073 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.036 -9.785 4.459 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.335 -9.371 2.783 1.00 0.00 H new ATOM 0 HG SER A 18 5.486 -7.304 3.132 1.00 0.00 H new ATOM 265 N PHE A 19 2.962 -7.887 2.417 1.00 0.00 N ATOM 266 CA PHE A 19 2.599 -6.773 1.551 1.00 0.00 C ATOM 267 C PHE A 19 3.862 -5.941 1.228 1.00 0.00 C ATOM 268 O PHE A 19 4.890 -6.064 1.910 1.00 0.00 O ATOM 269 CB PHE A 19 1.511 -5.968 2.289 1.00 0.00 C ATOM 270 CG PHE A 19 1.270 -4.548 1.813 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.637 -4.300 0.580 1.00 0.00 C ATOM 272 CD2 PHE A 19 1.691 -3.467 2.612 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.414 -2.978 0.161 1.00 0.00 C ATOM 274 CE2 PHE A 19 1.466 -2.145 2.193 1.00 0.00 C ATOM 275 CZ PHE A 19 0.820 -1.904 0.970 1.00 0.00 C ATOM 0 H PHE A 19 2.527 -7.832 3.338 1.00 0.00 H new ATOM 0 HA PHE A 19 2.199 -7.101 0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.572 -6.516 2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.773 -5.932 3.346 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.323 -5.125 -0.043 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.189 -3.655 3.551 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.071 -2.787 -0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.788 -1.318 2.809 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.635 -0.889 0.650 1.00 0.00 H new ATOM 285 N ARG A 20 3.763 -5.093 0.193 1.00 0.00 N ATOM 286 CA ARG A 20 4.755 -4.106 -0.237 1.00 0.00 C ATOM 287 C ARG A 20 4.023 -2.836 -0.715 1.00 0.00 C ATOM 288 O ARG A 20 3.141 -2.970 -1.566 1.00 0.00 O ATOM 289 CB ARG A 20 5.611 -4.700 -1.365 1.00 0.00 C ATOM 290 CG ARG A 20 6.835 -3.823 -1.650 1.00 0.00 C ATOM 291 CD ARG A 20 7.596 -4.320 -2.883 1.00 0.00 C ATOM 292 NE ARG A 20 9.022 -3.985 -2.765 1.00 0.00 N ATOM 293 CZ ARG A 20 9.958 -4.764 -2.243 1.00 0.00 C ATOM 294 NH1 ARG A 20 9.752 -6.035 -1.986 1.00 0.00 N ATOM 295 NH2 ARG A 20 11.118 -4.245 -1.937 1.00 0.00 N ATOM 0 H ARG A 20 2.934 -5.081 -0.401 1.00 0.00 H new ATOM 0 HA ARG A 20 5.412 -3.844 0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.935 -5.704 -1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.010 -4.796 -2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.519 -2.792 -1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.498 -3.826 -0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.475 -5.399 -2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.181 -3.867 -3.783 1.00 0.00 H new ATOM 0 HE ARG A 20 9.317 -3.074 -3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.845 -6.456 -2.189 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.499 -6.602 -1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.292 -3.253 -2.101 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.849 -4.832 -1.534 1.00 0.00 H new ATOM 309 N PRO A 21 4.323 -1.635 -0.180 1.00 0.00 N ATOM 310 CA PRO A 21 3.663 -0.399 -0.598 1.00 0.00 C ATOM 311 C PRO A 21 3.871 0.008 -2.063 1.00 0.00 C ATOM 312 O PRO A 21 4.738 -0.504 -2.771 1.00 0.00 O ATOM 313 CB PRO A 21 4.191 0.702 0.326 1.00 0.00 C ATOM 314 CG PRO A 21 4.745 -0.042 1.537 1.00 0.00 C ATOM 315 CD PRO A 21 5.197 -1.378 0.955 1.00 0.00 C ATOM 0 HA PRO A 21 2.587 -0.559 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.965 1.293 -0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.398 1.392 0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.574 0.498 1.995 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.986 -0.176 2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.240 -1.335 0.643 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.119 -2.173 1.696 1.00 0.00 H new ATOM 323 N LYS A 22 3.097 1.021 -2.468 1.00 0.00 N ATOM 324 CA LYS A 22 3.190 1.776 -3.721 1.00 0.00 C ATOM 325 C LYS A 22 3.138 3.277 -3.409 1.00 0.00 C ATOM 326 O LYS A 22 2.457 3.688 -2.465 1.00 0.00 O ATOM 327 CB LYS A 22 2.051 1.389 -4.684 1.00 0.00 C ATOM 328 CG LYS A 22 1.926 -0.111 -4.997 1.00 0.00 C ATOM 329 CD LYS A 22 0.968 -0.856 -4.049 1.00 0.00 C ATOM 330 CE LYS A 22 0.816 -2.320 -4.463 1.00 0.00 C ATOM 331 NZ LYS A 22 2.067 -3.075 -4.260 1.00 0.00 N ATOM 0 H LYS A 22 2.332 1.359 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 22 4.134 1.536 -4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.108 1.733 -4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.194 1.927 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.578 -0.233 -6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.913 -0.570 -4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.345 -0.800 -3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.007 -0.369 -4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.015 -2.781 -3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.524 -2.374 -5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.896 -4.085 -4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.794 -2.726 -4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.395 -2.947 -3.282 1.00 0.00 H new ATOM 345 N CYS A 23 3.808 4.103 -4.218 1.00 0.00 N ATOM 346 CA CYS A 23 4.034 5.521 -3.916 1.00 0.00 C ATOM 347 C CYS A 23 3.678 6.445 -5.081 1.00 0.00 C ATOM 348 O CYS A 23 3.684 6.048 -6.245 1.00 0.00 O ATOM 349 CB CYS A 23 5.516 5.719 -3.533 1.00 0.00 C ATOM 350 SG CYS A 23 6.301 4.449 -2.494 1.00 0.00 S ATOM 0 H CYS A 23 4.212 3.806 -5.106 1.00 0.00 H new ATOM 0 HA CYS A 23 3.376 5.789 -3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.092 5.800 -4.455 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.604 6.675 -3.017 1.00 0.00 H new ATOM 355 N ASP A 24 3.366 7.698 -4.744 1.00 0.00 N ATOM 356 CA ASP A 24 3.054 8.767 -5.681 1.00 0.00 C ATOM 357 C ASP A 24 4.307 9.505 -6.194 1.00 0.00 C ATOM 358 O ASP A 24 5.424 9.283 -5.725 1.00 0.00 O ATOM 359 CB ASP A 24 2.017 9.719 -5.049 1.00 0.00 C ATOM 360 CG ASP A 24 2.441 10.350 -3.720 1.00 0.00 C ATOM 361 OD1 ASP A 24 3.643 10.670 -3.576 1.00 0.00 O ATOM 362 OD2 ASP A 24 1.549 10.518 -2.863 1.00 0.00 O ATOM 0 H ASP A 24 3.323 8.003 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 24 2.615 8.320 -6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.799 10.517 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.089 9.169 -4.893 1.00 0.00 H new ATOM 367 N GLU A 25 4.112 10.440 -7.131 1.00 0.00 N ATOM 368 CA GLU A 25 5.173 11.296 -7.685 1.00 0.00 C ATOM 369 C GLU A 25 5.887 12.173 -6.638 1.00 0.00 C ATOM 370 O GLU A 25 6.993 12.647 -6.881 1.00 0.00 O ATOM 371 CB GLU A 25 4.600 12.163 -8.820 1.00 0.00 C ATOM 372 CG GLU A 25 3.539 13.173 -8.350 1.00 0.00 C ATOM 373 CD GLU A 25 2.964 13.961 -9.527 1.00 0.00 C ATOM 374 OE1 GLU A 25 2.092 13.389 -10.218 1.00 0.00 O ATOM 375 OE2 GLU A 25 3.406 15.114 -9.717 1.00 0.00 O ATOM 0 H GLU A 25 3.195 10.628 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 25 5.940 10.626 -8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.416 12.703 -9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.160 11.512 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.736 12.647 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.982 13.861 -7.630 1.00 0.00 H new ATOM 382 N ASN A 26 5.273 12.365 -5.467 1.00 0.00 N ATOM 383 CA ASN A 26 5.817 13.073 -4.310 1.00 0.00 C ATOM 384 C ASN A 26 6.580 12.121 -3.362 1.00 0.00 C ATOM 385 O ASN A 26 6.918 12.510 -2.244 1.00 0.00 O ATOM 386 CB ASN A 26 4.666 13.796 -3.580 1.00 0.00 C ATOM 387 CG ASN A 26 3.673 14.456 -4.529 1.00 0.00 C ATOM 388 OD1 ASN A 26 2.720 13.839 -4.980 1.00 0.00 O ATOM 389 ND2 ASN A 26 3.876 15.711 -4.876 1.00 0.00 N ATOM 0 H ASN A 26 4.332 12.011 -5.294 1.00 0.00 H new ATOM 0 HA ASN A 26 6.544 13.809 -4.654 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.137 13.080 -2.951 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.084 14.554 -2.917 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.236 16.171 -5.524 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.673 16.222 -4.497 1.00 0.00 H new ATOM 396 N GLY A 27 6.792 10.856 -3.757 1.00 0.00 N ATOM 397 CA GLY A 27 7.490 9.832 -2.979 1.00 0.00 C ATOM 398 C GLY A 27 6.770 9.404 -1.694 1.00 0.00 C ATOM 399 O GLY A 27 7.354 8.694 -0.871 1.00 0.00 O ATOM 0 H GLY A 27 6.469 10.510 -4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.636 8.954 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.480 10.205 -2.718 1.00 0.00 H new ATOM 403 N ASN A 28 5.535 9.863 -1.491 1.00 0.00 N ATOM 404 CA ASN A 28 4.666 9.504 -0.379 1.00 0.00 C ATOM 405 C ASN A 28 3.807 8.296 -0.781 1.00 0.00 C ATOM 406 O ASN A 28 3.756 7.939 -1.961 1.00 0.00 O ATOM 407 CB ASN A 28 3.824 10.738 -0.017 1.00 0.00 C ATOM 408 CG ASN A 28 4.594 11.767 0.803 1.00 0.00 C ATOM 409 OD1 ASN A 28 4.308 11.983 1.968 1.00 0.00 O ATOM 410 ND2 ASN A 28 5.589 12.439 0.254 1.00 0.00 N ATOM 0 H ASN A 28 5.096 10.526 -2.130 1.00 0.00 H new ATOM 0 HA ASN A 28 5.236 9.211 0.503 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.465 11.207 -0.933 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.945 10.419 0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.105 13.126 0.804 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.842 12.271 -0.720 1.00 0.00 H new ATOM 417 N TYR A 29 3.130 7.661 0.179 1.00 0.00 N ATOM 418 CA TYR A 29 2.250 6.528 -0.113 1.00 0.00 C ATOM 419 C TYR A 29 1.157 6.938 -1.105 1.00 0.00 C ATOM 420 O TYR A 29 0.510 7.970 -0.923 1.00 0.00 O ATOM 421 CB TYR A 29 1.615 5.986 1.171 1.00 0.00 C ATOM 422 CG TYR A 29 2.470 5.010 1.956 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.583 5.455 2.696 1.00 0.00 C ATOM 424 CD2 TYR A 29 2.110 3.648 1.990 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.353 4.541 3.441 1.00 0.00 C ATOM 426 CE2 TYR A 29 2.847 2.741 2.773 1.00 0.00 C ATOM 427 CZ TYR A 29 3.985 3.178 3.479 1.00 0.00 C ATOM 428 OH TYR A 29 4.710 2.281 4.197 1.00 0.00 O ATOM 0 H TYR A 29 3.175 7.913 1.166 1.00 0.00 H new ATOM 0 HA TYR A 29 2.855 5.739 -0.561 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.367 6.828 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.676 5.495 0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.847 6.502 2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.266 3.300 1.413 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.223 4.882 3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.540 1.707 2.833 1.00 0.00 H new ATOM 0 HH TYR A 29 5.303 2.759 4.814 1.00 0.00 H new ATOM 438 N LEU A 30 0.930 6.111 -2.135 1.00 0.00 N ATOM 439 CA LEU A 30 -0.222 6.286 -3.017 1.00 0.00 C ATOM 440 C LEU A 30 -1.509 6.251 -2.158 1.00 0.00 C ATOM 441 O LEU A 30 -1.621 5.338 -1.336 1.00 0.00 O ATOM 442 CB LEU A 30 -0.274 5.191 -4.106 1.00 0.00 C ATOM 443 CG LEU A 30 0.157 5.664 -5.503 1.00 0.00 C ATOM 444 CD1 LEU A 30 0.322 4.458 -6.429 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.852 6.628 -6.136 1.00 0.00 C ATOM 0 H LEU A 30 1.528 5.320 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.135 7.245 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.367 4.363 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.291 4.802 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 30 1.101 6.195 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.628 4.798 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.082 3.790 -6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.626 3.925 -6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.498 6.930 -7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.817 6.131 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.960 7.509 -5.503 1.00 0.00 H new ATOM 457 N PRO A 31 -2.479 7.177 -2.322 1.00 0.00 N ATOM 458 CA PRO A 31 -3.691 7.237 -1.495 1.00 0.00 C ATOM 459 C PRO A 31 -4.471 5.922 -1.367 1.00 0.00 C ATOM 460 O PRO A 31 -5.088 5.694 -0.330 1.00 0.00 O ATOM 461 CB PRO A 31 -4.559 8.334 -2.122 1.00 0.00 C ATOM 462 CG PRO A 31 -3.523 9.282 -2.717 1.00 0.00 C ATOM 463 CD PRO A 31 -2.434 8.331 -3.209 1.00 0.00 C ATOM 0 HA PRO A 31 -3.402 7.448 -0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.228 7.935 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.183 8.831 -1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.939 9.876 -3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.142 9.982 -1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.612 8.036 -4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.455 8.809 -3.178 1.00 0.00 H new ATOM 471 N LEU A 32 -4.425 5.060 -2.393 1.00 0.00 N ATOM 472 CA LEU A 32 -4.913 3.682 -2.377 1.00 0.00 C ATOM 473 C LEU A 32 -3.717 2.722 -2.316 1.00 0.00 C ATOM 474 O LEU A 32 -2.743 2.893 -3.050 1.00 0.00 O ATOM 475 CB LEU A 32 -5.730 3.424 -3.661 1.00 0.00 C ATOM 476 CG LEU A 32 -6.379 2.022 -3.738 1.00 0.00 C ATOM 477 CD1 LEU A 32 -7.650 1.903 -2.915 1.00 0.00 C ATOM 478 CD2 LEU A 32 -6.728 1.682 -5.182 1.00 0.00 C ATOM 0 H LEU A 32 -4.028 5.321 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.547 3.519 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.514 4.178 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.078 3.556 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.641 1.331 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.054 0.895 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.425 2.104 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.384 2.625 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.184 0.693 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.429 2.421 -5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.821 1.689 -5.787 1.00 0.00 H new ATOM 490 N GLN A 33 -3.827 1.677 -1.497 1.00 0.00 N ATOM 491 CA GLN A 33 -2.908 0.540 -1.470 1.00 0.00 C ATOM 492 C GLN A 33 -3.719 -0.741 -1.687 1.00 0.00 C ATOM 493 O GLN A 33 -4.864 -0.836 -1.241 1.00 0.00 O ATOM 494 CB GLN A 33 -2.169 0.475 -0.127 1.00 0.00 C ATOM 495 CG GLN A 33 -1.329 1.715 0.212 1.00 0.00 C ATOM 496 CD GLN A 33 -0.124 1.945 -0.696 1.00 0.00 C ATOM 497 OE1 GLN A 33 0.747 1.102 -0.852 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.024 3.120 -1.264 1.00 0.00 N ATOM 0 H GLN A 33 -4.580 1.596 -0.814 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.163 0.651 -2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.901 0.322 0.666 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.516 -0.398 -0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.972 2.594 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.979 1.628 1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.692 3.837 -1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.854 3.315 -1.823 1.00 0.00 H new ATOM 507 N CYS A 34 -3.119 -1.736 -2.342 1.00 0.00 N ATOM 508 CA CYS A 34 -3.728 -3.043 -2.584 1.00 0.00 C ATOM 509 C CYS A 34 -2.697 -4.154 -2.374 1.00 0.00 C ATOM 510 O CYS A 34 -1.499 -3.925 -2.545 1.00 0.00 O ATOM 511 CB CYS A 34 -4.289 -3.107 -4.012 1.00 0.00 C ATOM 512 SG CYS A 34 -5.558 -1.894 -4.472 1.00 0.00 S ATOM 0 H CYS A 34 -2.178 -1.653 -2.726 1.00 0.00 H new ATOM 0 HA CYS A 34 -4.545 -3.185 -1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.455 -3.000 -4.706 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.705 -4.103 -4.165 1.00 0.00 H new ATOM 517 N TYR A 35 -3.162 -5.368 -2.060 1.00 0.00 N ATOM 518 CA TYR A 35 -2.297 -6.526 -1.839 1.00 0.00 C ATOM 519 C TYR A 35 -2.721 -7.711 -2.720 1.00 0.00 C ATOM 520 O TYR A 35 -3.567 -8.531 -2.359 1.00 0.00 O ATOM 521 CB TYR A 35 -2.204 -6.829 -0.335 1.00 0.00 C ATOM 522 CG TYR A 35 -1.220 -7.918 0.064 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.054 -8.170 -0.694 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.480 -8.684 1.217 1.00 0.00 C ATOM 525 CE1 TYR A 35 0.798 -9.232 -0.344 1.00 0.00 C ATOM 526 CE2 TYR A 35 -0.620 -9.736 1.584 1.00 0.00 C ATOM 527 CZ TYR A 35 0.504 -10.024 0.783 1.00 0.00 C ATOM 528 OH TYR A 35 1.239 -11.141 1.008 1.00 0.00 O ATOM 0 H TYR A 35 -4.155 -5.573 -1.952 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.279 -6.303 -2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.930 -5.911 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.194 -7.113 0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.183 -7.546 -1.543 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.345 -8.463 1.824 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.676 -9.440 -0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.819 -10.318 2.472 1.00 0.00 H new ATOM 0 HH TYR A 35 1.180 -11.386 1.955 1.00 0.00 H new ATOM 538 N GLY A 36 -2.122 -7.778 -3.916 1.00 0.00 N ATOM 539 CA GLY A 36 -2.505 -8.667 -5.018 1.00 0.00 C ATOM 540 C GLY A 36 -2.433 -10.180 -4.768 1.00 0.00 C ATOM 541 O GLY A 36 -3.005 -10.922 -5.560 1.00 0.00 O ATOM 0 H GLY A 36 -1.323 -7.189 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.527 -8.422 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.868 -8.437 -5.872 1.00 0.00 H new ATOM 545 N SER A 37 -1.791 -10.655 -3.691 1.00 0.00 N ATOM 546 CA SER A 37 -1.849 -12.073 -3.303 1.00 0.00 C ATOM 547 C SER A 37 -3.234 -12.488 -2.782 1.00 0.00 C ATOM 548 O SER A 37 -3.587 -13.661 -2.870 1.00 0.00 O ATOM 549 CB SER A 37 -0.791 -12.383 -2.242 1.00 0.00 C ATOM 550 OG SER A 37 -1.081 -11.661 -1.067 1.00 0.00 O ATOM 0 H SER A 37 -1.224 -10.077 -3.071 1.00 0.00 H new ATOM 0 HA SER A 37 -1.649 -12.650 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.775 -13.452 -2.030 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.199 -12.116 -2.611 1.00 0.00 H new ATOM 0 HG SER A 37 -0.367 -11.012 -0.897 1.00 0.00 H new ATOM 556 N ILE A 38 -4.026 -11.527 -2.285 1.00 0.00 N ATOM 557 CA ILE A 38 -5.405 -11.702 -1.830 1.00 0.00 C ATOM 558 C ILE A 38 -6.398 -10.822 -2.609 1.00 0.00 C ATOM 559 O ILE A 38 -7.594 -11.110 -2.615 1.00 0.00 O ATOM 560 CB ILE A 38 -5.486 -11.458 -0.307 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.970 -10.062 0.118 1.00 0.00 C ATOM 562 CG2 ILE A 38 -4.750 -12.582 0.443 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.285 -9.703 1.575 1.00 0.00 C ATOM 0 H ILE A 38 -3.704 -10.564 -2.187 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.702 -12.731 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.541 -11.474 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.891 -10.023 -0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.409 -9.308 -0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.811 -12.404 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.213 -13.540 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.704 -12.599 0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.892 -8.711 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.365 -9.708 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.822 -10.434 2.238 1.00 0.00 H new ATOM 575 N GLY A 39 -5.924 -9.764 -3.281 1.00 0.00 N ATOM 576 CA GLY A 39 -6.714 -8.875 -4.138 1.00 0.00 C ATOM 577 C GLY A 39 -7.494 -7.787 -3.389 1.00 0.00 C ATOM 578 O GLY A 39 -8.347 -7.142 -3.992 1.00 0.00 O ATOM 0 H GLY A 39 -4.941 -9.495 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.046 -8.396 -4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.418 -9.478 -4.712 1.00 0.00 H new ATOM 582 N TYR A 40 -7.240 -7.599 -2.091 1.00 0.00 N ATOM 583 CA TYR A 40 -7.889 -6.573 -1.269 1.00 0.00 C ATOM 584 C TYR A 40 -7.181 -5.219 -1.429 1.00 0.00 C ATOM 585 O TYR A 40 -5.990 -5.171 -1.756 1.00 0.00 O ATOM 586 CB TYR A 40 -7.857 -6.994 0.212 1.00 0.00 C ATOM 587 CG TYR A 40 -8.929 -7.987 0.627 1.00 0.00 C ATOM 588 CD1 TYR A 40 -8.890 -9.320 0.174 1.00 0.00 C ATOM 589 CD2 TYR A 40 -9.963 -7.580 1.492 1.00 0.00 C ATOM 590 CE1 TYR A 40 -9.876 -10.239 0.579 1.00 0.00 C ATOM 591 CE2 TYR A 40 -10.961 -8.488 1.889 1.00 0.00 C ATOM 592 CZ TYR A 40 -10.918 -9.822 1.434 1.00 0.00 C ATOM 593 OH TYR A 40 -11.880 -10.699 1.827 1.00 0.00 O ATOM 0 H TYR A 40 -6.567 -8.164 -1.573 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.922 -6.470 -1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.880 -7.427 0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.954 -6.101 0.829 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.099 -9.639 -0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.990 -6.563 1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.835 -11.262 0.236 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -11.759 -8.164 2.541 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.518 -10.243 2.415 1.00 0.00 H new ATOM 603 N CYS A 41 -7.898 -4.130 -1.125 1.00 0.00 N ATOM 604 CA CYS A 41 -7.366 -2.768 -1.069 1.00 0.00 C ATOM 605 C CYS A 41 -7.842 -2.006 0.170 1.00 0.00 C ATOM 606 O CYS A 41 -8.821 -2.386 0.814 1.00 0.00 O ATOM 607 CB CYS A 41 -7.745 -1.976 -2.331 1.00 0.00 C ATOM 608 SG CYS A 41 -7.343 -2.726 -3.933 1.00 0.00 S ATOM 0 H CYS A 41 -8.893 -4.176 -0.905 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.282 -2.865 -1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.819 -1.792 -2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.254 -1.004 -2.280 1.00 0.00 H new ATOM 613 N TRP A 42 -7.154 -0.905 0.477 1.00 0.00 N ATOM 614 CA TRP A 42 -7.529 0.096 1.474 1.00 0.00 C ATOM 615 C TRP A 42 -6.973 1.467 1.067 1.00 0.00 C ATOM 616 O TRP A 42 -6.045 1.556 0.258 1.00 0.00 O ATOM 617 CB TRP A 42 -6.998 -0.315 2.853 1.00 0.00 C ATOM 618 CG TRP A 42 -5.516 -0.493 2.960 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.638 0.443 3.390 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.723 -1.671 2.615 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.361 -0.090 3.368 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.355 -1.377 2.876 1.00 0.00 C ATOM 623 CE3 TRP A 42 -5.015 -2.954 2.097 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.327 -2.297 2.630 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.992 -3.883 1.831 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.649 -3.557 2.098 1.00 0.00 C ATOM 0 H TRP A 42 -6.275 -0.677 0.012 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.616 0.163 1.528 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.307 0.438 3.578 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.478 -1.250 3.141 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.893 1.445 3.701 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.527 0.409 3.678 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -6.042 -3.226 1.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.300 -2.041 2.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.239 -4.851 1.420 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.867 -4.274 1.894 1.00 0.00 H new ATOM 637 N CYS A 43 -7.496 2.539 1.664 1.00 0.00 N ATOM 638 CA CYS A 43 -6.900 3.865 1.531 1.00 0.00 C ATOM 639 C CYS A 43 -5.873 4.076 2.643 1.00 0.00 C ATOM 640 O CYS A 43 -6.032 3.552 3.748 1.00 0.00 O ATOM 641 CB CYS A 43 -7.961 4.971 1.597 1.00 0.00 C ATOM 642 SG CYS A 43 -9.236 4.943 0.318 1.00 0.00 S ATOM 0 H CYS A 43 -8.334 2.512 2.246 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.416 3.921 0.556 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.452 4.915 2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.453 5.934 1.551 1.00 0.00 H new ATOM 647 N VAL A 44 -4.863 4.904 2.382 1.00 0.00 N ATOM 648 CA VAL A 44 -3.860 5.318 3.368 1.00 0.00 C ATOM 649 C VAL A 44 -3.641 6.830 3.322 1.00 0.00 C ATOM 650 O VAL A 44 -3.831 7.470 2.287 1.00 0.00 O ATOM 651 CB VAL A 44 -2.497 4.628 3.150 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.563 3.112 3.336 1.00 0.00 C ATOM 653 CG2 VAL A 44 -1.894 4.917 1.773 1.00 0.00 C ATOM 0 H VAL A 44 -4.714 5.316 1.461 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.254 5.019 4.339 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.854 5.057 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.575 2.682 3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.893 2.884 4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.268 2.688 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.937 4.404 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.572 4.562 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.743 5.991 1.660 1.00 0.00 H new ATOM 663 N PHE A 45 -3.199 7.394 4.443 1.00 0.00 N ATOM 664 CA PHE A 45 -2.672 8.754 4.492 1.00 0.00 C ATOM 665 C PHE A 45 -1.243 8.743 3.886 1.00 0.00 C ATOM 666 O PHE A 45 -0.641 7.671 3.780 1.00 0.00 O ATOM 667 CB PHE A 45 -2.704 9.238 5.950 1.00 0.00 C ATOM 668 CG PHE A 45 -4.108 9.403 6.508 1.00 0.00 C ATOM 669 CD1 PHE A 45 -4.919 10.471 6.075 1.00 0.00 C ATOM 670 CD2 PHE A 45 -4.614 8.491 7.455 1.00 0.00 C ATOM 671 CE1 PHE A 45 -6.222 10.621 6.584 1.00 0.00 C ATOM 672 CE2 PHE A 45 -5.914 8.641 7.965 1.00 0.00 C ATOM 673 CZ PHE A 45 -6.720 9.707 7.530 1.00 0.00 C ATOM 0 H PHE A 45 -3.196 6.919 5.346 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.273 9.450 3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.157 8.529 6.571 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.181 10.192 6.019 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.539 11.176 5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.998 7.670 7.791 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.841 11.440 6.248 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.294 7.938 8.691 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.720 9.824 7.921 1.00 0.00 H new ATOM 683 N PRO A 46 -0.657 9.895 3.492 1.00 0.00 N ATOM 684 CA PRO A 46 0.637 9.960 2.786 1.00 0.00 C ATOM 685 C PRO A 46 1.822 9.231 3.452 1.00 0.00 C ATOM 686 O PRO A 46 2.769 8.839 2.765 1.00 0.00 O ATOM 687 CB PRO A 46 0.932 11.457 2.642 1.00 0.00 C ATOM 688 CG PRO A 46 -0.457 12.084 2.574 1.00 0.00 C ATOM 689 CD PRO A 46 -1.265 11.219 3.539 1.00 0.00 C ATOM 0 HA PRO A 46 0.540 9.427 1.840 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.504 11.837 3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.513 11.668 1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.444 13.130 2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.866 12.054 1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.234 11.627 4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.313 11.178 3.243 1.00 0.00 H new ATOM 697 N ASN A 47 1.764 9.017 4.772 1.00 0.00 N ATOM 698 CA ASN A 47 2.728 8.276 5.576 1.00 0.00 C ATOM 699 C ASN A 47 2.534 6.743 5.566 1.00 0.00 C ATOM 700 O ASN A 47 3.399 6.035 6.073 1.00 0.00 O ATOM 701 CB ASN A 47 2.633 8.800 7.023 1.00 0.00 C ATOM 702 CG ASN A 47 1.405 8.258 7.747 1.00 0.00 C ATOM 703 OD1 ASN A 47 0.320 8.165 7.189 1.00 0.00 O ATOM 704 ND2 ASN A 47 1.554 7.829 8.981 1.00 0.00 N ATOM 0 H ASN A 47 0.995 9.380 5.335 1.00 0.00 H new ATOM 0 HA ASN A 47 3.711 8.443 5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.532 8.517 7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.596 9.889 7.013 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.763 7.417 9.477 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.460 7.908 9.443 1.00 0.00 H new ATOM 711 N GLY A 48 1.403 6.239 5.052 1.00 0.00 N ATOM 712 CA GLY A 48 1.039 4.821 5.028 1.00 0.00 C ATOM 713 C GLY A 48 0.010 4.378 6.074 1.00 0.00 C ATOM 714 O GLY A 48 -0.349 3.202 6.087 1.00 0.00 O ATOM 0 H GLY A 48 0.692 6.833 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.649 4.582 4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.945 4.231 5.164 1.00 0.00 H new ATOM 718 N THR A 49 -0.487 5.273 6.939 1.00 0.00 N ATOM 719 CA THR A 49 -1.523 4.933 7.930 1.00 0.00 C ATOM 720 C THR A 49 -2.848 4.671 7.216 1.00 0.00 C ATOM 721 O THR A 49 -3.370 5.563 6.551 1.00 0.00 O ATOM 722 CB THR A 49 -1.685 6.049 8.979 1.00 0.00 C ATOM 723 OG1 THR A 49 -0.516 6.133 9.766 1.00 0.00 O ATOM 724 CG2 THR A 49 -2.827 5.794 9.965 1.00 0.00 C ATOM 0 H THR A 49 -0.186 6.247 6.974 1.00 0.00 H new ATOM 0 HA THR A 49 -1.213 4.031 8.458 1.00 0.00 H new ATOM 0 HB THR A 49 -1.889 6.957 8.411 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.677 6.728 10.528 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.885 6.618 10.676 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.768 5.718 9.420 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.643 4.864 10.503 1.00 0.00 H new ATOM 732 N GLU A 50 -3.395 3.457 7.348 1.00 0.00 N ATOM 733 CA GLU A 50 -4.695 3.080 6.785 1.00 0.00 C ATOM 734 C GLU A 50 -5.841 3.985 7.265 1.00 0.00 C ATOM 735 O GLU A 50 -5.953 4.294 8.450 1.00 0.00 O ATOM 736 CB GLU A 50 -4.989 1.602 7.118 1.00 0.00 C ATOM 737 CG GLU A 50 -6.350 1.130 6.578 1.00 0.00 C ATOM 738 CD GLU A 50 -6.614 -0.354 6.832 1.00 0.00 C ATOM 739 OE1 GLU A 50 -5.838 -1.181 6.305 1.00 0.00 O ATOM 740 OE2 GLU A 50 -7.603 -0.638 7.545 1.00 0.00 O ATOM 0 H GLU A 50 -2.940 2.699 7.856 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.637 3.212 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.200 0.976 6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.965 1.466 8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.142 1.718 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.396 1.323 5.506 1.00 0.00 H new ATOM 747 N VAL A 51 -6.734 4.341 6.336 1.00 0.00 N ATOM 748 CA VAL A 51 -8.018 4.988 6.616 1.00 0.00 C ATOM 749 C VAL A 51 -8.999 3.853 6.966 1.00 0.00 C ATOM 750 O VAL A 51 -9.358 3.067 6.075 1.00 0.00 O ATOM 751 CB VAL A 51 -8.528 5.796 5.409 1.00 0.00 C ATOM 752 CG1 VAL A 51 -9.820 6.543 5.765 1.00 0.00 C ATOM 753 CG2 VAL A 51 -7.497 6.822 4.911 1.00 0.00 C ATOM 0 H VAL A 51 -6.578 4.182 5.341 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.918 5.702 7.433 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.712 5.073 4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.164 7.108 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.586 5.825 6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.629 7.227 6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.906 7.365 4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.266 7.524 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.586 6.305 4.608 1.00 0.00 H new ATOM 763 N PRO A 52 -9.396 3.699 8.244 1.00 0.00 N ATOM 764 CA PRO A 52 -10.135 2.525 8.698 1.00 0.00 C ATOM 765 C PRO A 52 -11.500 2.405 8.015 1.00 0.00 C ATOM 766 O PRO A 52 -12.107 3.399 7.617 1.00 0.00 O ATOM 767 CB PRO A 52 -10.247 2.669 10.220 1.00 0.00 C ATOM 768 CG PRO A 52 -10.158 4.177 10.443 1.00 0.00 C ATOM 769 CD PRO A 52 -9.192 4.625 9.349 1.00 0.00 C ATOM 0 HA PRO A 52 -9.619 1.602 8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.187 2.263 10.593 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.445 2.139 10.733 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.131 4.658 10.345 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.782 4.417 11.438 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.395 5.651 9.043 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.161 4.595 9.700 1.00 0.00 H new ATOM 777 N ASN A 53 -11.981 1.161 7.914 1.00 0.00 N ATOM 778 CA ASN A 53 -13.179 0.702 7.205 1.00 0.00 C ATOM 779 C ASN A 53 -13.060 0.732 5.667 1.00 0.00 C ATOM 780 O ASN A 53 -13.973 0.254 4.998 1.00 0.00 O ATOM 781 CB ASN A 53 -14.424 1.460 7.689 1.00 0.00 C ATOM 782 CG ASN A 53 -14.542 1.567 9.200 1.00 0.00 C ATOM 783 OD1 ASN A 53 -14.999 0.663 9.879 1.00 0.00 O ATOM 784 ND2 ASN A 53 -14.122 2.684 9.763 1.00 0.00 N ATOM 0 H ASN A 53 -11.500 0.383 8.365 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.286 -0.353 7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.411 2.464 7.265 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.312 0.961 7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.178 2.797 10.775 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.741 3.434 9.186 1.00 0.00 H new ATOM 791 N THR A 54 -11.952 1.223 5.083 1.00 0.00 N ATOM 792 CA THR A 54 -11.733 1.125 3.629 1.00 0.00 C ATOM 793 C THR A 54 -11.245 -0.256 3.216 1.00 0.00 C ATOM 794 O THR A 54 -11.393 -0.605 2.052 1.00 0.00 O ATOM 795 CB THR A 54 -10.743 2.162 3.077 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.477 2.069 3.705 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.280 3.582 3.269 1.00 0.00 C ATOM 0 H THR A 54 -11.200 1.688 5.591 1.00 0.00 H new ATOM 0 HA THR A 54 -12.715 1.325 3.201 1.00 0.00 H new ATOM 0 HB THR A 54 -10.627 1.948 2.015 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.563 2.309 4.651 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.562 4.299 2.871 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.228 3.687 2.742 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.432 3.773 4.331 1.00 0.00 H new ATOM 805 N ARG A 55 -10.692 -1.043 4.153 1.00 0.00 N ATOM 806 CA ARG A 55 -10.120 -2.367 3.913 1.00 0.00 C ATOM 807 C ARG A 55 -11.175 -3.300 3.302 1.00 0.00 C ATOM 808 O ARG A 55 -11.986 -3.886 4.023 1.00 0.00 O ATOM 809 CB ARG A 55 -9.478 -2.901 5.209 1.00 0.00 C ATOM 810 CG ARG A 55 -8.376 -3.959 4.993 1.00 0.00 C ATOM 811 CD ARG A 55 -8.769 -5.197 4.176 1.00 0.00 C ATOM 812 NE ARG A 55 -10.017 -5.810 4.663 1.00 0.00 N ATOM 813 CZ ARG A 55 -10.246 -7.073 4.988 1.00 0.00 C ATOM 814 NH1 ARG A 55 -9.306 -7.986 4.939 1.00 0.00 N ATOM 815 NH2 ARG A 55 -11.451 -7.435 5.359 1.00 0.00 N ATOM 0 H ARG A 55 -10.631 -0.760 5.131 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.318 -2.308 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.054 -2.062 5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.259 -3.332 5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.532 -3.477 4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.026 -4.292 5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.888 -4.917 3.129 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.964 -5.931 4.221 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.811 -5.177 4.763 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.363 -7.732 4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.517 -8.950 5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.202 -6.746 5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.637 -8.406 5.611 1.00 0.00 H new ATOM 829 N SER A 56 -11.154 -3.440 1.975 1.00 0.00 N ATOM 830 CA SER A 56 -12.202 -4.076 1.180 1.00 0.00 C ATOM 831 C SER A 56 -11.654 -4.991 0.079 1.00 0.00 C ATOM 832 O SER A 56 -10.466 -4.973 -0.241 1.00 0.00 O ATOM 833 CB SER A 56 -13.085 -2.966 0.591 1.00 0.00 C ATOM 834 OG SER A 56 -14.234 -3.523 -0.018 1.00 0.00 O ATOM 0 H SER A 56 -10.378 -3.101 1.406 1.00 0.00 H new ATOM 0 HA SER A 56 -12.784 -4.730 1.830 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.382 -2.273 1.378 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.519 -2.392 -0.142 1.00 0.00 H new ATOM 0 HG SER A 56 -14.789 -2.805 -0.388 1.00 0.00 H new ATOM 840 N ARG A 57 -12.560 -5.772 -0.519 1.00 0.00 N ATOM 841 CA ARG A 57 -12.360 -6.845 -1.508 1.00 0.00 C ATOM 842 C ARG A 57 -11.735 -6.396 -2.840 1.00 0.00 C ATOM 843 O ARG A 57 -11.400 -7.242 -3.667 1.00 0.00 O ATOM 844 CB ARG A 57 -13.722 -7.546 -1.728 1.00 0.00 C ATOM 845 CG ARG A 57 -13.781 -8.968 -1.133 1.00 0.00 C ATOM 846 CD ARG A 57 -13.371 -10.062 -2.132 1.00 0.00 C ATOM 847 NE ARG A 57 -12.100 -9.746 -2.786 1.00 0.00 N ATOM 848 CZ ARG A 57 -10.952 -10.396 -2.785 1.00 0.00 C ATOM 849 NH1 ARG A 57 -10.803 -11.614 -2.328 1.00 0.00 N ATOM 850 NH2 ARG A 57 -9.902 -9.785 -3.263 1.00 0.00 N ATOM 0 H ARG A 57 -13.551 -5.660 -0.303 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.620 -7.534 -1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.511 -6.940 -1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.927 -7.599 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.127 -9.017 -0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.794 -9.166 -0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.286 -11.016 -1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.150 -10.178 -2.886 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.102 -8.884 -3.331 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.603 -12.116 -1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.886 -12.061 -2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.985 -8.834 -3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.999 -10.259 -3.277 1.00 0.00 H new ATOM 864 N GLY A 58 -11.577 -5.092 -3.052 1.00 0.00 N ATOM 865 CA GLY A 58 -10.993 -4.512 -4.257 1.00 0.00 C ATOM 866 C GLY A 58 -10.953 -2.988 -4.238 1.00 0.00 C ATOM 867 O GLY A 58 -11.160 -2.349 -3.204 1.00 0.00 O ATOM 0 H GLY A 58 -11.860 -4.389 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.979 -4.893 -4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.565 -4.842 -5.124 1.00 0.00 H new ATOM 871 N HIS A 59 -10.637 -2.443 -5.414 1.00 0.00 N ATOM 872 CA HIS A 59 -10.315 -1.047 -5.701 1.00 0.00 C ATOM 873 C HIS A 59 -11.347 -0.029 -5.188 1.00 0.00 C ATOM 874 O HIS A 59 -12.547 -0.302 -5.149 1.00 0.00 O ATOM 875 CB HIS A 59 -10.170 -0.937 -7.226 1.00 0.00 C ATOM 876 CG HIS A 59 -9.489 0.321 -7.685 1.00 0.00 C ATOM 877 ND1 HIS A 59 -10.092 1.509 -8.030 1.00 0.00 N ATOM 878 CD2 HIS A 59 -8.140 0.471 -7.835 1.00 0.00 C ATOM 879 CE1 HIS A 59 -9.114 2.367 -8.375 1.00 0.00 C ATOM 880 NE2 HIS A 59 -7.913 1.776 -8.281 1.00 0.00 N ATOM 0 H HIS A 59 -10.597 -3.015 -6.258 1.00 0.00 H new ATOM 0 HA HIS A 59 -9.399 -0.792 -5.169 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.607 -1.796 -7.590 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -11.160 -0.989 -7.680 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.388 -0.280 -7.644 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -9.274 3.389 -8.685 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -7.009 2.198 -8.494 1.00 0.00 H new ATOM 888 N HIS A 60 -10.878 1.181 -4.868 1.00 0.00 N ATOM 889 CA HIS A 60 -11.710 2.340 -4.544 1.00 0.00 C ATOM 890 C HIS A 60 -10.958 3.655 -4.831 1.00 0.00 C ATOM 891 O HIS A 60 -9.742 3.667 -5.018 1.00 0.00 O ATOM 892 CB HIS A 60 -12.250 2.231 -3.102 1.00 0.00 C ATOM 893 CG HIS A 60 -11.413 1.455 -2.109 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.604 0.146 -1.724 1.00 0.00 N ATOM 895 CD2 HIS A 60 -10.360 1.929 -1.382 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.716 -0.120 -0.750 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.925 0.931 -0.523 1.00 0.00 N ATOM 0 H HIS A 60 -9.880 1.385 -4.827 1.00 0.00 H new ATOM 0 HA HIS A 60 -12.584 2.352 -5.195 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -12.385 3.241 -2.714 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -13.237 1.771 -3.144 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.292 -0.502 -2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.935 2.919 -1.462 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.651 -1.060 -0.221 1.00 0.00 H new ATOM 905 N ASN A 61 -11.678 4.780 -4.887 1.00 0.00 N ATOM 906 CA ASN A 61 -11.182 6.063 -5.365 1.00 0.00 C ATOM 907 C ASN A 61 -10.699 6.947 -4.210 1.00 0.00 C ATOM 908 O ASN A 61 -11.279 7.992 -3.910 1.00 0.00 O ATOM 909 CB ASN A 61 -12.256 6.724 -6.243 1.00 0.00 C ATOM 910 CG ASN A 61 -12.544 5.902 -7.488 1.00 0.00 C ATOM 911 OD1 ASN A 61 -13.504 5.151 -7.553 1.00 0.00 O ATOM 912 ND2 ASN A 61 -11.700 5.999 -8.494 1.00 0.00 N ATOM 0 H ASN A 61 -12.653 4.818 -4.590 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.300 5.910 -5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.173 6.846 -5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.926 7.722 -6.533 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.846 5.444 -9.337 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.901 6.629 -8.430 1.00 0.00 H new ATOM 919 N CYS A 62 -9.621 6.520 -3.553 1.00 0.00 N ATOM 920 CA CYS A 62 -9.049 7.255 -2.428 1.00 0.00 C ATOM 921 C CYS A 62 -8.605 8.663 -2.828 1.00 0.00 C ATOM 922 O CYS A 62 -7.971 8.837 -3.872 1.00 0.00 O ATOM 923 CB CYS A 62 -7.835 6.525 -1.886 1.00 0.00 C ATOM 924 SG CYS A 62 -8.150 4.829 -1.387 1.00 0.00 S ATOM 0 H CYS A 62 -9.123 5.660 -3.784 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.832 7.327 -1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.055 6.528 -2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.447 7.077 -1.030 1.00 0.00 H new