USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 490 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 14 TYR OH : rot 39:sc= 0.263 USER MOD Set 1.2: A 42 ASN : amide:sc= 0.251 X(o=0.51,f=0.18) USER MOD Set 2.1: A 23 ASN : amide:sc= -2.38 K(o=-2.4,f=-0.62!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.00536 K(o=-2.4,f=-4.3) USER MOD Set 3.1: A 15 HIS : no HD1:sc= 0.573 K(o=-0.52,f=-2.9!) USER MOD Set 3.2: A 18 THR OG1 : rot -170:sc= -1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.572 (180deg=0.355) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0431 X(o=-0.043,f=-0.061) USER MOD Single : A 13 TYR OH : rot -10:sc= 0.287 USER MOD Single : A 16 GLN : amide:sc= 0.732 K(o=0.73,f=-4.2!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.0232 K(o=0.023,f=-7.3!) USER MOD Single : A 33 SER OG : rot 103:sc= 0.721 USER MOD Single : A 34 CYS SG : rot -114:sc= -6.31! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00123 USER MOD Single : A 40 MET CE :methyl 166:sc= -0.419 (180deg=-1.07) USER MOD Single : A 43 ASN : amide:sc= 0.369 X(o=0.37,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0575) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.024 USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= 0.651 (180deg=0.404) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 0.619 (180deg=0.617) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.089 1.005 -7.772 1.00 0.00 N ATOM 2 CA MET A 1 3.938 2.216 -7.960 1.00 0.00 C ATOM 3 C MET A 1 3.250 3.493 -7.408 1.00 0.00 C ATOM 4 O MET A 1 3.706 4.616 -7.678 1.00 0.00 O ATOM 5 CB MET A 1 4.302 2.385 -9.465 1.00 0.00 C ATOM 6 CG MET A 1 3.125 2.723 -10.403 1.00 0.00 C ATOM 7 SD MET A 1 1.821 1.471 -10.383 1.00 0.00 S ATOM 8 CE MET A 1 0.627 2.149 -11.544 1.00 0.00 C ATOM 0 H1 MET A 1 3.622 0.159 -8.059 1.00 0.00 H new ATOM 0 H2 MET A 1 2.820 0.921 -6.771 1.00 0.00 H new ATOM 0 H3 MET A 1 2.232 1.088 -8.355 1.00 0.00 H new ATOM 0 HA MET A 1 4.856 2.076 -7.389 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.050 3.173 -9.553 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.767 1.463 -9.813 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.702 3.685 -10.113 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.499 2.833 -11.421 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.226 1.475 -11.624 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.288 3.123 -11.190 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.094 2.261 -12.522 1.00 0.00 H new ATOM 18 N LYS A 2 2.161 3.326 -6.620 1.00 0.00 N ATOM 19 CA LYS A 2 1.451 4.461 -6.000 1.00 0.00 C ATOM 20 C LYS A 2 2.128 4.847 -4.661 1.00 0.00 C ATOM 21 O LYS A 2 1.706 4.429 -3.575 1.00 0.00 O ATOM 22 CB LYS A 2 -0.062 4.152 -5.798 1.00 0.00 C ATOM 23 CG LYS A 2 -0.884 5.375 -5.307 1.00 0.00 C ATOM 24 CD LYS A 2 -2.374 5.050 -5.060 1.00 0.00 C ATOM 25 CE LYS A 2 -2.582 4.049 -3.910 1.00 0.00 C ATOM 26 NZ LYS A 2 -4.019 3.779 -3.652 1.00 0.00 N ATOM 0 H LYS A 2 1.758 2.415 -6.401 1.00 0.00 H new ATOM 0 HA LYS A 2 1.514 5.311 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.481 3.797 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.166 3.341 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.444 5.753 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.811 6.173 -6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.910 5.972 -4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.809 4.643 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.076 3.114 -4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.119 4.439 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.110 3.100 -2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.499 4.666 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.457 3.382 -4.508 1.00 0.00 H new ATOM 40 N ARG A 3 3.236 5.579 -4.773 1.00 0.00 N ATOM 41 CA ARG A 3 3.920 6.232 -3.638 1.00 0.00 C ATOM 42 C ARG A 3 3.743 7.748 -3.794 1.00 0.00 C ATOM 43 O ARG A 3 3.539 8.213 -4.916 1.00 0.00 O ATOM 44 CB ARG A 3 5.425 5.831 -3.636 1.00 0.00 C ATOM 45 CG ARG A 3 6.297 6.508 -2.552 1.00 0.00 C ATOM 46 CD ARG A 3 7.777 6.092 -2.628 1.00 0.00 C ATOM 47 NE ARG A 3 8.388 6.415 -3.933 1.00 0.00 N ATOM 48 CZ ARG A 3 9.704 6.390 -4.192 1.00 0.00 C ATOM 49 NH1 ARG A 3 10.585 6.061 -3.252 1.00 0.00 N ATOM 50 NH2 ARG A 3 10.145 6.695 -5.398 1.00 0.00 N ATOM 0 H ARG A 3 3.698 5.743 -5.667 1.00 0.00 H new ATOM 0 HA ARG A 3 3.495 5.916 -2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.494 4.751 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.846 6.065 -4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 3 6.223 7.590 -2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.904 6.256 -1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.333 6.593 -1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.860 5.020 -2.447 1.00 0.00 H new ATOM 0 HE ARG A 3 7.762 6.677 -4.695 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.264 5.822 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.582 6.048 -3.469 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.485 6.950 -6.133 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.146 6.676 -5.595 1.00 0.00 H new ATOM 64 N ALA A 4 3.817 8.505 -2.678 1.00 0.00 N ATOM 65 CA ALA A 4 3.667 9.975 -2.685 1.00 0.00 C ATOM 66 C ALA A 4 4.681 10.637 -3.641 1.00 0.00 C ATOM 67 O ALA A 4 4.280 11.358 -4.545 1.00 0.00 O ATOM 68 CB ALA A 4 3.794 10.540 -1.259 1.00 0.00 C ATOM 0 H ALA A 4 3.982 8.115 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 4 2.669 10.211 -3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.681 11.624 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.018 10.109 -0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.774 10.288 -0.854 1.00 0.00 H new ATOM 74 N ALA A 5 5.980 10.313 -3.464 1.00 0.00 N ATOM 75 CA ALA A 5 7.089 10.853 -4.292 1.00 0.00 C ATOM 76 C ALA A 5 7.006 10.381 -5.756 1.00 0.00 C ATOM 77 O ALA A 5 7.411 11.108 -6.666 1.00 0.00 O ATOM 78 CB ALA A 5 8.444 10.462 -3.693 1.00 0.00 C ATOM 0 H ALA A 5 6.294 9.667 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 5 6.990 11.939 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.245 10.866 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.526 10.866 -2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.526 9.376 -3.656 1.00 0.00 H new ATOM 84 N ALA A 6 6.465 9.165 -5.960 1.00 0.00 N ATOM 85 CA ALA A 6 6.264 8.590 -7.307 1.00 0.00 C ATOM 86 C ALA A 6 5.204 9.388 -8.079 1.00 0.00 C ATOM 87 O ALA A 6 5.420 9.771 -9.224 1.00 0.00 O ATOM 88 CB ALA A 6 5.863 7.111 -7.202 1.00 0.00 C ATOM 0 H ALA A 6 6.156 8.556 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 6 7.204 8.652 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.718 6.701 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.651 6.556 -6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.935 7.025 -6.637 1.00 0.00 H new ATOM 94 N LYS A 7 4.083 9.661 -7.394 1.00 0.00 N ATOM 95 CA LYS A 7 2.944 10.427 -7.934 1.00 0.00 C ATOM 96 C LYS A 7 3.289 11.914 -8.074 1.00 0.00 C ATOM 97 O LYS A 7 2.709 12.602 -8.909 1.00 0.00 O ATOM 98 CB LYS A 7 1.696 10.239 -7.026 1.00 0.00 C ATOM 99 CG LYS A 7 1.072 8.825 -7.079 1.00 0.00 C ATOM 100 CD LYS A 7 0.441 8.524 -8.459 1.00 0.00 C ATOM 101 CE LYS A 7 -0.153 7.112 -8.544 1.00 0.00 C ATOM 102 NZ LYS A 7 -0.887 6.892 -9.819 1.00 0.00 N ATOM 0 H LYS A 7 3.938 9.351 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 7 2.718 10.045 -8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.975 10.461 -5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.939 10.968 -7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.839 8.082 -6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.311 8.735 -6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.341 9.255 -8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.199 8.642 -9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.646 6.376 -8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.829 6.952 -7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.272 5.926 -9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.666 7.577 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.236 7.019 -10.620 1.00 0.00 H new ATOM 116 N HIS A 8 4.227 12.394 -7.241 1.00 0.00 N ATOM 117 CA HIS A 8 4.752 13.764 -7.331 1.00 0.00 C ATOM 118 C HIS A 8 5.626 13.917 -8.581 1.00 0.00 C ATOM 119 O HIS A 8 5.575 14.953 -9.231 1.00 0.00 O ATOM 120 CB HIS A 8 5.548 14.156 -6.059 1.00 0.00 C ATOM 121 CG HIS A 8 4.697 14.387 -4.839 1.00 0.00 C ATOM 122 ND1 HIS A 8 5.110 14.104 -3.555 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.452 14.902 -4.716 1.00 0.00 C ATOM 124 CE1 HIS A 8 4.158 14.432 -2.707 1.00 0.00 C ATOM 125 NE2 HIS A 8 3.140 14.915 -3.386 1.00 0.00 N ATOM 0 H HIS A 8 4.641 11.844 -6.488 1.00 0.00 H new ATOM 0 HA HIS A 8 3.902 14.442 -7.408 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.270 13.369 -5.840 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.118 15.062 -6.266 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.819 15.241 -5.523 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.205 14.323 -1.634 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.262 15.245 -2.985 1.00 0.00 H new ATOM 134 N LEU A 9 6.399 12.859 -8.904 1.00 0.00 N ATOM 135 CA LEU A 9 7.281 12.819 -10.094 1.00 0.00 C ATOM 136 C LEU A 9 6.425 12.692 -11.381 1.00 0.00 C ATOM 137 O LEU A 9 6.764 13.254 -12.426 1.00 0.00 O ATOM 138 CB LEU A 9 8.315 11.645 -9.964 1.00 0.00 C ATOM 139 CG LEU A 9 9.814 11.980 -10.272 1.00 0.00 C ATOM 140 CD1 LEU A 9 10.027 12.375 -11.739 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.347 13.068 -9.316 1.00 0.00 C ATOM 0 H LEU A 9 6.431 12.005 -8.347 1.00 0.00 H new ATOM 0 HA LEU A 9 7.847 13.748 -10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.257 11.254 -8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.003 10.843 -10.633 1.00 0.00 H new ATOM 0 HG LEU A 9 10.389 11.070 -10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.081 12.598 -11.906 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.724 11.551 -12.385 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.428 13.256 -11.969 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.390 13.281 -9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.756 13.976 -9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.273 12.716 -8.287 1.00 0.00 H new ATOM 153 N ILE A 10 5.314 11.945 -11.268 1.00 0.00 N ATOM 154 CA ILE A 10 4.284 11.859 -12.323 1.00 0.00 C ATOM 155 C ILE A 10 3.624 13.235 -12.523 1.00 0.00 C ATOM 156 O ILE A 10 3.385 13.647 -13.654 1.00 0.00 O ATOM 157 CB ILE A 10 3.196 10.774 -11.963 1.00 0.00 C ATOM 158 CG1 ILE A 10 3.842 9.349 -11.962 1.00 0.00 C ATOM 159 CG2 ILE A 10 1.958 10.832 -12.908 1.00 0.00 C ATOM 160 CD1 ILE A 10 2.962 8.244 -11.409 1.00 0.00 C ATOM 0 H ILE A 10 5.102 11.383 -10.444 1.00 0.00 H new ATOM 0 HA ILE A 10 4.766 11.556 -13.253 1.00 0.00 H new ATOM 0 HB ILE A 10 2.826 10.997 -10.962 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.121 9.093 -12.984 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.763 9.385 -11.380 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.241 10.065 -12.616 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.489 11.813 -12.834 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.276 10.659 -13.936 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.499 7.296 -11.451 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.703 8.469 -10.374 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.051 8.172 -12.004 1.00 0.00 H new ATOM 172 N GLU A 11 3.371 13.933 -11.394 1.00 0.00 N ATOM 173 CA GLU A 11 2.803 15.295 -11.378 1.00 0.00 C ATOM 174 C GLU A 11 3.797 16.297 -11.991 1.00 0.00 C ATOM 175 O GLU A 11 3.385 17.281 -12.583 1.00 0.00 O ATOM 176 CB GLU A 11 2.429 15.726 -9.923 1.00 0.00 C ATOM 177 CG GLU A 11 1.760 17.118 -9.799 1.00 0.00 C ATOM 178 CD GLU A 11 0.387 17.207 -10.500 1.00 0.00 C ATOM 179 OE1 GLU A 11 -0.630 16.836 -9.873 1.00 0.00 O ATOM 180 OE2 GLU A 11 0.316 17.625 -11.680 1.00 0.00 O ATOM 0 H GLU A 11 3.557 13.562 -10.462 1.00 0.00 H new ATOM 0 HA GLU A 11 1.893 15.290 -11.978 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.757 14.979 -9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.334 15.720 -9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.636 17.360 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.425 17.871 -10.223 1.00 0.00 H new ATOM 187 N ARG A 12 5.109 16.023 -11.850 1.00 0.00 N ATOM 188 CA ARG A 12 6.158 16.854 -12.456 1.00 0.00 C ATOM 189 C ARG A 12 6.042 16.810 -13.992 1.00 0.00 C ATOM 190 O ARG A 12 6.014 17.854 -14.633 1.00 0.00 O ATOM 191 CB ARG A 12 7.584 16.416 -12.014 1.00 0.00 C ATOM 192 CG ARG A 12 7.924 16.518 -10.505 1.00 0.00 C ATOM 193 CD ARG A 12 7.754 17.930 -9.913 1.00 0.00 C ATOM 194 NE ARG A 12 6.337 18.298 -9.682 1.00 0.00 N ATOM 195 CZ ARG A 12 5.829 19.538 -9.770 1.00 0.00 C ATOM 196 NH1 ARG A 12 6.578 20.555 -10.199 1.00 0.00 N ATOM 197 NH2 ARG A 12 4.556 19.747 -9.445 1.00 0.00 N ATOM 0 H ARG A 12 5.464 15.228 -11.319 1.00 0.00 H new ATOM 0 HA ARG A 12 6.010 17.876 -12.106 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.730 15.381 -12.323 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.307 17.018 -12.564 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.288 15.826 -9.953 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.954 16.194 -10.353 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.297 17.989 -8.970 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.206 18.657 -10.587 1.00 0.00 H new ATOM 0 HE ARG A 12 5.693 17.546 -9.435 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.550 20.396 -10.465 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.179 21.492 -10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.975 18.969 -9.132 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.161 20.685 -9.508 1.00 0.00 H new ATOM 211 N TYR A 13 5.929 15.583 -14.548 1.00 0.00 N ATOM 212 CA TYR A 13 5.821 15.360 -16.012 1.00 0.00 C ATOM 213 C TYR A 13 4.423 15.733 -16.566 1.00 0.00 C ATOM 214 O TYR A 13 4.317 16.194 -17.702 1.00 0.00 O ATOM 215 CB TYR A 13 6.162 13.888 -16.366 1.00 0.00 C ATOM 216 CG TYR A 13 7.654 13.530 -16.241 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.609 14.101 -17.095 1.00 0.00 C ATOM 218 CD2 TYR A 13 8.105 12.614 -15.291 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.945 13.768 -16.995 1.00 0.00 C ATOM 220 CE2 TYR A 13 9.439 12.286 -15.194 1.00 0.00 C ATOM 221 CZ TYR A 13 10.353 12.861 -16.046 1.00 0.00 C ATOM 222 OH TYR A 13 11.684 12.531 -15.942 1.00 0.00 O ATOM 0 H TYR A 13 5.910 14.723 -14.001 1.00 0.00 H new ATOM 0 HA TYR A 13 6.545 16.022 -16.487 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.588 13.229 -15.715 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.838 13.689 -17.388 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.294 14.813 -17.843 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.395 12.154 -14.619 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.667 14.218 -17.660 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.768 11.577 -14.449 1.00 0.00 H new ATOM 0 HH TYR A 13 12.172 12.894 -16.710 1.00 0.00 H new ATOM 232 N TYR A 14 3.368 15.544 -15.754 1.00 0.00 N ATOM 233 CA TYR A 14 1.975 15.818 -16.176 1.00 0.00 C ATOM 234 C TYR A 14 1.730 17.327 -16.236 1.00 0.00 C ATOM 235 O TYR A 14 1.207 17.844 -17.224 1.00 0.00 O ATOM 236 CB TYR A 14 0.949 15.143 -15.221 1.00 0.00 C ATOM 237 CG TYR A 14 -0.515 15.375 -15.646 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.061 14.698 -16.741 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.332 16.294 -14.981 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.360 14.931 -17.148 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.626 16.530 -15.393 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.137 15.843 -16.472 1.00 0.00 C ATOM 243 OH TYR A 14 -4.425 16.082 -16.885 1.00 0.00 O ATOM 0 H TYR A 14 3.450 15.201 -14.797 1.00 0.00 H new ATOM 0 HA TYR A 14 1.835 15.393 -17.170 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.145 14.071 -15.185 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.093 15.528 -14.211 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.457 13.981 -17.277 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.942 16.829 -14.128 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.765 14.398 -17.996 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.237 17.251 -14.871 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.842 15.239 -17.159 1.00 0.00 H new ATOM 253 N HIS A 15 2.126 18.015 -15.154 1.00 0.00 N ATOM 254 CA HIS A 15 2.030 19.477 -15.053 1.00 0.00 C ATOM 255 C HIS A 15 3.013 20.143 -16.032 1.00 0.00 C ATOM 256 O HIS A 15 2.810 21.288 -16.432 1.00 0.00 O ATOM 257 CB HIS A 15 2.287 19.942 -13.597 1.00 0.00 C ATOM 258 CG HIS A 15 1.929 21.379 -13.313 1.00 0.00 C ATOM 259 ND1 HIS A 15 2.662 22.187 -12.474 1.00 0.00 N ATOM 260 CD2 HIS A 15 0.877 22.131 -13.720 1.00 0.00 C ATOM 261 CE1 HIS A 15 2.069 23.358 -12.373 1.00 0.00 C ATOM 262 NE2 HIS A 15 0.990 23.350 -13.117 1.00 0.00 N ATOM 0 H HIS A 15 2.522 17.572 -14.325 1.00 0.00 H new ATOM 0 HA HIS A 15 1.020 19.782 -15.325 1.00 0.00 H new ATOM 0 HB2 HIS A 15 1.719 19.302 -12.922 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.342 19.794 -13.365 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.094 21.822 -14.397 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.415 24.189 -11.775 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.340 24.128 -13.227 1.00 0.00 H new ATOM 271 N GLN A 16 4.080 19.400 -16.405 1.00 0.00 N ATOM 272 CA GLN A 16 5.014 19.796 -17.473 1.00 0.00 C ATOM 273 C GLN A 16 4.302 19.803 -18.840 1.00 0.00 C ATOM 274 O GLN A 16 4.584 20.651 -19.668 1.00 0.00 O ATOM 275 CB GLN A 16 6.235 18.833 -17.511 1.00 0.00 C ATOM 276 CG GLN A 16 7.300 19.124 -18.583 1.00 0.00 C ATOM 277 CD GLN A 16 8.406 18.056 -18.633 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.420 18.168 -17.959 1.00 0.00 O ATOM 279 NE2 GLN A 16 8.206 17.013 -19.425 1.00 0.00 N ATOM 0 H GLN A 16 4.314 18.508 -15.970 1.00 0.00 H new ATOM 0 HA GLN A 16 5.369 20.804 -17.260 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.718 18.854 -16.534 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.866 17.819 -17.662 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.818 19.187 -19.559 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.750 20.097 -18.386 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.350 16.947 -19.975 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.908 16.276 -19.484 1.00 0.00 H new ATOM 288 N LEU A 17 3.376 18.857 -19.064 1.00 0.00 N ATOM 289 CA LEU A 17 2.620 18.760 -20.342 1.00 0.00 C ATOM 290 C LEU A 17 1.408 19.714 -20.392 1.00 0.00 C ATOM 291 O LEU A 17 0.964 20.086 -21.486 1.00 0.00 O ATOM 292 CB LEU A 17 2.155 17.304 -20.569 1.00 0.00 C ATOM 293 CG LEU A 17 3.300 16.259 -20.735 1.00 0.00 C ATOM 294 CD1 LEU A 17 2.752 14.828 -20.715 1.00 0.00 C ATOM 295 CD2 LEU A 17 4.138 16.521 -22.013 1.00 0.00 C ATOM 0 H LEU A 17 3.126 18.143 -18.380 1.00 0.00 H new ATOM 0 HA LEU A 17 3.298 19.064 -21.139 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.530 17.004 -19.728 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.527 17.275 -21.459 1.00 0.00 H new ATOM 0 HG LEU A 17 3.968 16.374 -19.881 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.574 14.122 -20.833 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.249 14.644 -19.766 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.043 14.699 -21.532 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.925 15.771 -22.092 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.493 16.463 -22.889 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.586 17.513 -21.957 1.00 0.00 H new ATOM 307 N THR A 18 0.863 20.091 -19.221 1.00 0.00 N ATOM 308 CA THR A 18 -0.339 20.951 -19.149 1.00 0.00 C ATOM 309 C THR A 18 0.028 22.449 -19.210 1.00 0.00 C ATOM 310 O THR A 18 -0.489 23.179 -20.062 1.00 0.00 O ATOM 311 CB THR A 18 -1.180 20.648 -17.864 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.376 20.830 -16.689 1.00 0.00 O ATOM 313 CG2 THR A 18 -1.752 19.217 -17.885 1.00 0.00 C ATOM 0 H THR A 18 1.233 19.816 -18.311 1.00 0.00 H new ATOM 0 HA THR A 18 -0.950 20.718 -20.021 1.00 0.00 H new ATOM 0 HB THR A 18 -2.016 21.348 -17.846 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.858 20.489 -15.907 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.330 19.043 -16.977 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.398 19.096 -18.755 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.934 18.499 -17.938 1.00 0.00 H new ATOM 321 N GLU A 19 0.922 22.904 -18.305 1.00 0.00 N ATOM 322 CA GLU A 19 1.322 24.338 -18.202 1.00 0.00 C ATOM 323 C GLU A 19 2.839 24.528 -18.414 1.00 0.00 C ATOM 324 O GLU A 19 3.284 25.603 -18.830 1.00 0.00 O ATOM 325 CB GLU A 19 0.869 24.929 -16.842 1.00 0.00 C ATOM 326 CG GLU A 19 -0.656 24.842 -16.598 1.00 0.00 C ATOM 327 CD GLU A 19 -1.121 25.595 -15.346 1.00 0.00 C ATOM 328 OE1 GLU A 19 -1.117 25.002 -14.252 1.00 0.00 O ATOM 329 OE2 GLU A 19 -1.477 26.786 -15.444 1.00 0.00 O ATOM 0 H GLU A 19 1.387 22.299 -17.628 1.00 0.00 H new ATOM 0 HA GLU A 19 0.818 24.882 -19.001 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.386 24.404 -16.039 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.176 25.973 -16.790 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.178 25.242 -17.467 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.942 23.794 -16.509 1.00 0.00 H new ATOM 336 N GLY A 20 3.624 23.486 -18.102 1.00 0.00 N ATOM 337 CA GLY A 20 5.061 23.463 -18.375 1.00 0.00 C ATOM 338 C GLY A 20 5.876 23.973 -17.206 1.00 0.00 C ATOM 339 O GLY A 20 5.954 23.324 -16.159 1.00 0.00 O ATOM 0 H GLY A 20 3.277 22.638 -17.654 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.367 22.444 -18.612 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.271 24.071 -19.255 1.00 0.00 H new ATOM 343 N CYS A 21 6.484 25.144 -17.404 1.00 0.00 N ATOM 344 CA CYS A 21 7.160 25.919 -16.354 1.00 0.00 C ATOM 345 C CYS A 21 6.807 27.408 -16.521 1.00 0.00 C ATOM 346 O CYS A 21 7.428 28.269 -15.901 1.00 0.00 O ATOM 347 CB CYS A 21 8.689 25.696 -16.422 1.00 0.00 C ATOM 348 SG CYS A 21 9.406 26.071 -18.049 1.00 0.00 S ATOM 0 H CYS A 21 6.523 25.593 -18.319 1.00 0.00 H new ATOM 0 HA CYS A 21 6.821 25.584 -15.373 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.173 26.318 -15.669 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.908 24.659 -16.168 1.00 0.00 H new ATOM 353 N GLY A 22 5.799 27.705 -17.371 1.00 0.00 N ATOM 354 CA GLY A 22 5.321 29.074 -17.590 1.00 0.00 C ATOM 355 C GLY A 22 6.139 29.840 -18.629 1.00 0.00 C ATOM 356 O GLY A 22 5.585 30.326 -19.621 1.00 0.00 O ATOM 0 H GLY A 22 5.302 27.002 -17.918 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.279 29.041 -17.910 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.347 29.616 -16.645 1.00 0.00 H new ATOM 360 N ASN A 23 7.465 29.937 -18.388 1.00 0.00 N ATOM 361 CA ASN A 23 8.411 30.676 -19.254 1.00 0.00 C ATOM 362 C ASN A 23 8.439 30.106 -20.684 1.00 0.00 C ATOM 363 O ASN A 23 8.600 28.894 -20.887 1.00 0.00 O ATOM 364 CB ASN A 23 9.845 30.691 -18.643 1.00 0.00 C ATOM 365 CG ASN A 23 10.389 29.300 -18.287 1.00 0.00 C ATOM 366 OD1 ASN A 23 10.113 28.773 -17.211 1.00 0.00 O ATOM 367 ND2 ASN A 23 11.183 28.709 -19.164 1.00 0.00 N ATOM 0 H ASN A 23 7.912 29.502 -17.581 1.00 0.00 H new ATOM 0 HA ASN A 23 8.053 31.704 -19.312 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.525 31.165 -19.351 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.839 31.308 -17.744 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.582 27.794 -18.955 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.396 29.168 -20.050 1.00 0.00 H new ATOM 374 N GLU A 24 8.267 31.006 -21.668 1.00 0.00 N ATOM 375 CA GLU A 24 8.266 30.655 -23.101 1.00 0.00 C ATOM 376 C GLU A 24 9.702 30.468 -23.620 1.00 0.00 C ATOM 377 O GLU A 24 9.917 29.822 -24.652 1.00 0.00 O ATOM 378 CB GLU A 24 7.498 31.731 -23.910 1.00 0.00 C ATOM 379 CG GLU A 24 8.115 33.142 -23.847 1.00 0.00 C ATOM 380 CD GLU A 24 7.235 34.213 -24.504 1.00 0.00 C ATOM 381 OE1 GLU A 24 7.166 34.253 -25.746 1.00 0.00 O ATOM 382 OE2 GLU A 24 6.601 35.011 -23.781 1.00 0.00 O ATOM 0 H GLU A 24 8.124 32.001 -21.492 1.00 0.00 H new ATOM 0 HA GLU A 24 7.751 29.703 -23.232 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.448 31.417 -24.952 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.473 31.780 -23.543 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.287 33.411 -22.805 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.088 33.129 -24.338 1.00 0.00 H new ATOM 389 N ALA A 25 10.677 31.040 -22.879 1.00 0.00 N ATOM 390 CA ALA A 25 12.114 30.805 -23.093 1.00 0.00 C ATOM 391 C ALA A 25 12.498 29.467 -22.427 1.00 0.00 C ATOM 392 O ALA A 25 13.113 29.426 -21.349 1.00 0.00 O ATOM 393 CB ALA A 25 12.949 31.984 -22.559 1.00 0.00 C ATOM 0 H ALA A 25 10.482 31.682 -22.111 1.00 0.00 H new ATOM 0 HA ALA A 25 12.328 30.738 -24.160 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.007 31.787 -22.729 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.662 32.898 -23.079 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.769 32.103 -21.491 1.00 0.00 H new ATOM 399 N CYS A 26 12.045 28.384 -23.066 1.00 0.00 N ATOM 400 CA CYS A 26 12.242 26.999 -22.616 1.00 0.00 C ATOM 401 C CYS A 26 12.420 26.074 -23.842 1.00 0.00 C ATOM 402 O CYS A 26 11.496 25.926 -24.653 1.00 0.00 O ATOM 403 CB CYS A 26 11.036 26.535 -21.764 1.00 0.00 C ATOM 404 SG CYS A 26 11.110 24.785 -21.274 1.00 0.00 S ATOM 0 H CYS A 26 11.516 28.447 -23.936 1.00 0.00 H new ATOM 0 HA CYS A 26 13.139 26.949 -21.999 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.979 27.151 -20.867 1.00 0.00 H new ATOM 0 HB3 CYS A 26 10.119 26.706 -22.327 1.00 0.00 H new ATOM 409 N THR A 27 13.616 25.464 -23.954 1.00 0.00 N ATOM 410 CA THR A 27 14.008 24.610 -25.096 1.00 0.00 C ATOM 411 C THR A 27 13.340 23.212 -25.051 1.00 0.00 C ATOM 412 O THR A 27 13.263 22.530 -26.081 1.00 0.00 O ATOM 413 CB THR A 27 15.573 24.468 -25.162 1.00 0.00 C ATOM 414 OG1 THR A 27 15.957 23.603 -26.244 1.00 0.00 O ATOM 415 CG2 THR A 27 16.181 23.945 -23.838 1.00 0.00 C ATOM 0 H THR A 27 14.346 25.550 -23.247 1.00 0.00 H new ATOM 0 HA THR A 27 13.652 25.104 -26.000 1.00 0.00 H new ATOM 0 HB THR A 27 15.968 25.469 -25.332 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.934 23.527 -26.271 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.263 23.867 -23.941 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.942 24.636 -23.030 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.766 22.963 -23.610 1.00 0.00 H new ATOM 423 N ASN A 28 12.864 22.797 -23.859 1.00 0.00 N ATOM 424 CA ASN A 28 12.230 21.473 -23.653 1.00 0.00 C ATOM 425 C ASN A 28 10.877 21.398 -24.415 1.00 0.00 C ATOM 426 O ASN A 28 9.912 22.064 -24.048 1.00 0.00 O ATOM 427 CB ASN A 28 12.041 21.214 -22.123 1.00 0.00 C ATOM 428 CG ASN A 28 11.627 19.775 -21.748 1.00 0.00 C ATOM 429 OD1 ASN A 28 10.956 19.075 -22.496 1.00 0.00 O ATOM 430 ND2 ASN A 28 12.031 19.319 -20.573 1.00 0.00 N ATOM 0 H ASN A 28 12.907 23.366 -23.013 1.00 0.00 H new ATOM 0 HA ASN A 28 12.877 20.693 -24.054 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.974 21.452 -21.612 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.286 21.903 -21.744 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.784 18.374 -20.280 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.589 19.913 -19.960 1.00 0.00 H new ATOM 437 N GLU A 29 10.845 20.582 -25.478 1.00 0.00 N ATOM 438 CA GLU A 29 9.661 20.402 -26.364 1.00 0.00 C ATOM 439 C GLU A 29 8.574 19.513 -25.725 1.00 0.00 C ATOM 440 O GLU A 29 7.444 19.461 -26.224 1.00 0.00 O ATOM 441 CB GLU A 29 10.065 19.823 -27.756 1.00 0.00 C ATOM 442 CG GLU A 29 10.777 18.441 -27.750 1.00 0.00 C ATOM 443 CD GLU A 29 12.267 18.503 -27.342 1.00 0.00 C ATOM 444 OE1 GLU A 29 13.114 18.815 -28.204 1.00 0.00 O ATOM 445 OE2 GLU A 29 12.591 18.276 -26.154 1.00 0.00 O ATOM 0 H GLU A 29 11.646 20.016 -25.760 1.00 0.00 H new ATOM 0 HA GLU A 29 9.240 21.398 -26.505 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.165 19.741 -28.366 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.720 20.542 -28.248 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.251 17.776 -27.065 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.701 18.000 -28.744 1.00 0.00 H new ATOM 452 N PHE A 30 8.925 18.810 -24.633 1.00 0.00 N ATOM 453 CA PHE A 30 7.973 18.005 -23.823 1.00 0.00 C ATOM 454 C PHE A 30 7.382 18.858 -22.677 1.00 0.00 C ATOM 455 O PHE A 30 6.841 18.327 -21.704 1.00 0.00 O ATOM 456 CB PHE A 30 8.705 16.757 -23.246 1.00 0.00 C ATOM 457 CG PHE A 30 9.302 15.852 -24.324 1.00 0.00 C ATOM 458 CD1 PHE A 30 8.508 14.920 -24.987 1.00 0.00 C ATOM 459 CD2 PHE A 30 10.648 15.945 -24.684 1.00 0.00 C ATOM 460 CE1 PHE A 30 9.037 14.121 -25.978 1.00 0.00 C ATOM 461 CE2 PHE A 30 11.175 15.140 -25.677 1.00 0.00 C ATOM 462 CZ PHE A 30 10.370 14.226 -26.320 1.00 0.00 C ATOM 0 H PHE A 30 9.881 18.780 -24.280 1.00 0.00 H new ATOM 0 HA PHE A 30 7.153 17.676 -24.461 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.500 17.088 -22.578 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.003 16.179 -22.644 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.466 14.822 -24.722 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.286 16.656 -24.180 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.405 13.410 -26.489 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.217 15.228 -25.948 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.782 13.592 -27.091 1.00 0.00 H new ATOM 472 N CYS A 31 7.465 20.191 -22.826 1.00 0.00 N ATOM 473 CA CYS A 31 7.078 21.162 -21.798 1.00 0.00 C ATOM 474 C CYS A 31 6.150 22.200 -22.437 1.00 0.00 C ATOM 475 O CYS A 31 6.513 22.804 -23.440 1.00 0.00 O ATOM 476 CB CYS A 31 8.358 21.825 -21.242 1.00 0.00 C ATOM 477 SG CYS A 31 8.140 22.912 -19.804 1.00 0.00 S ATOM 0 H CYS A 31 7.810 20.628 -23.681 1.00 0.00 H new ATOM 0 HA CYS A 31 6.550 20.680 -20.975 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.062 21.038 -20.972 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.819 22.404 -22.042 1.00 0.00 H new ATOM 482 N ALA A 32 4.934 22.347 -21.893 1.00 0.00 N ATOM 483 CA ALA A 32 3.949 23.342 -22.339 1.00 0.00 C ATOM 484 C ALA A 32 4.439 24.762 -22.062 1.00 0.00 C ATOM 485 O ALA A 32 5.332 24.963 -21.239 1.00 0.00 O ATOM 486 CB ALA A 32 2.591 23.068 -21.686 1.00 0.00 C ATOM 0 H ALA A 32 4.602 21.770 -21.120 1.00 0.00 H new ATOM 0 HA ALA A 32 3.825 23.255 -23.418 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.868 23.811 -22.023 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.246 22.073 -21.967 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.690 23.125 -20.602 1.00 0.00 H new ATOM 492 N SER A 33 3.855 25.724 -22.801 1.00 0.00 N ATOM 493 CA SER A 33 4.289 27.135 -22.852 1.00 0.00 C ATOM 494 C SER A 33 5.637 27.300 -23.596 1.00 0.00 C ATOM 495 O SER A 33 6.126 28.417 -23.716 1.00 0.00 O ATOM 496 CB SER A 33 4.334 27.795 -21.445 1.00 0.00 C ATOM 497 OG SER A 33 3.072 27.725 -20.801 1.00 0.00 O ATOM 0 H SER A 33 3.047 25.538 -23.395 1.00 0.00 H new ATOM 0 HA SER A 33 3.530 27.666 -23.427 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.085 27.298 -20.832 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.639 28.837 -21.540 1.00 0.00 H new ATOM 0 HG SER A 33 3.090 27.018 -20.123 1.00 0.00 H new ATOM 503 N CYS A 34 6.203 26.193 -24.138 1.00 0.00 N ATOM 504 CA CYS A 34 7.360 26.247 -25.051 1.00 0.00 C ATOM 505 C CYS A 34 6.842 26.406 -26.493 1.00 0.00 C ATOM 506 O CYS A 34 5.828 25.788 -26.839 1.00 0.00 O ATOM 507 CB CYS A 34 8.206 24.968 -24.914 1.00 0.00 C ATOM 508 SG CYS A 34 8.798 24.690 -23.239 1.00 0.00 S ATOM 0 H CYS A 34 5.869 25.247 -23.953 1.00 0.00 H new ATOM 0 HA CYS A 34 7.995 27.096 -24.798 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.611 24.111 -25.230 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.060 25.030 -25.589 1.00 0.00 H new ATOM 0 HG CYS A 34 10.094 24.793 -23.214 1.00 0.00 H new ATOM 514 N PRO A 35 7.527 27.217 -27.366 1.00 0.00 N ATOM 515 CA PRO A 35 7.058 27.498 -28.753 1.00 0.00 C ATOM 516 C PRO A 35 7.225 26.292 -29.715 1.00 0.00 C ATOM 517 O PRO A 35 6.800 26.353 -30.872 1.00 0.00 O ATOM 518 CB PRO A 35 7.934 28.713 -29.168 1.00 0.00 C ATOM 519 CG PRO A 35 9.209 28.529 -28.407 1.00 0.00 C ATOM 520 CD PRO A 35 8.814 27.920 -27.076 1.00 0.00 C ATOM 0 HA PRO A 35 5.988 27.698 -28.800 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.111 28.726 -30.243 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.451 29.656 -28.913 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.895 27.877 -28.947 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.720 29.481 -28.265 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.574 27.228 -26.713 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.687 28.685 -26.310 1.00 0.00 H new ATOM 528 N THR A 36 7.862 25.215 -29.229 1.00 0.00 N ATOM 529 CA THR A 36 8.037 23.950 -29.974 1.00 0.00 C ATOM 530 C THR A 36 7.004 22.879 -29.558 1.00 0.00 C ATOM 531 O THR A 36 6.804 21.890 -30.278 1.00 0.00 O ATOM 532 CB THR A 36 9.486 23.409 -29.763 1.00 0.00 C ATOM 533 OG1 THR A 36 9.792 23.373 -28.356 1.00 0.00 O ATOM 534 CG2 THR A 36 10.526 24.279 -30.491 1.00 0.00 C ATOM 0 H THR A 36 8.276 25.194 -28.297 1.00 0.00 H new ATOM 0 HA THR A 36 7.873 24.164 -31.030 1.00 0.00 H new ATOM 0 HB THR A 36 9.531 22.403 -30.181 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.701 23.031 -28.228 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.523 23.872 -30.322 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.313 24.283 -31.560 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.480 25.298 -30.108 1.00 0.00 H new ATOM 542 N PHE A 37 6.347 23.102 -28.401 1.00 0.00 N ATOM 543 CA PHE A 37 5.352 22.167 -27.838 1.00 0.00 C ATOM 544 C PHE A 37 4.018 22.251 -28.614 1.00 0.00 C ATOM 545 O PHE A 37 3.577 23.342 -28.989 1.00 0.00 O ATOM 546 CB PHE A 37 5.124 22.492 -26.336 1.00 0.00 C ATOM 547 CG PHE A 37 4.128 21.566 -25.610 1.00 0.00 C ATOM 548 CD1 PHE A 37 4.544 20.341 -25.089 1.00 0.00 C ATOM 549 CD2 PHE A 37 2.789 21.933 -25.432 1.00 0.00 C ATOM 550 CE1 PHE A 37 3.661 19.510 -24.430 1.00 0.00 C ATOM 551 CE2 PHE A 37 1.907 21.099 -24.774 1.00 0.00 C ATOM 552 CZ PHE A 37 2.345 19.892 -24.267 1.00 0.00 C ATOM 0 H PHE A 37 6.492 23.935 -27.831 1.00 0.00 H new ATOM 0 HA PHE A 37 5.733 21.150 -27.933 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.083 22.444 -25.820 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.768 23.519 -26.252 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.574 20.038 -25.203 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.441 22.881 -25.814 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.000 18.561 -24.042 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.874 21.391 -24.656 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.657 19.246 -23.742 1.00 0.00 H new ATOM 562 N LEU A 38 3.384 21.086 -28.842 1.00 0.00 N ATOM 563 CA LEU A 38 2.022 20.998 -29.406 1.00 0.00 C ATOM 564 C LEU A 38 1.056 20.469 -28.341 1.00 0.00 C ATOM 565 O LEU A 38 1.413 19.582 -27.552 1.00 0.00 O ATOM 566 CB LEU A 38 1.994 20.082 -30.656 1.00 0.00 C ATOM 567 CG LEU A 38 2.763 20.601 -31.914 1.00 0.00 C ATOM 568 CD1 LEU A 38 2.646 19.601 -33.097 1.00 0.00 C ATOM 569 CD2 LEU A 38 2.277 22.021 -32.327 1.00 0.00 C ATOM 0 H LEU A 38 3.801 20.177 -28.640 1.00 0.00 H new ATOM 0 HA LEU A 38 1.710 21.996 -29.714 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.407 19.112 -30.379 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.953 19.917 -30.935 1.00 0.00 H new ATOM 0 HG LEU A 38 3.817 20.677 -31.648 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.191 19.990 -33.957 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.068 18.640 -32.804 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.596 19.471 -33.361 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.831 22.354 -33.205 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.213 21.988 -32.560 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.447 22.717 -31.505 1.00 0.00 H new ATOM 581 N ARG A 39 -0.172 21.012 -28.353 1.00 0.00 N ATOM 582 CA ARG A 39 -1.219 20.705 -27.357 1.00 0.00 C ATOM 583 C ARG A 39 -1.649 19.226 -27.409 1.00 0.00 C ATOM 584 O ARG A 39 -1.591 18.586 -28.461 1.00 0.00 O ATOM 585 CB ARG A 39 -2.447 21.629 -27.581 1.00 0.00 C ATOM 586 CG ARG A 39 -2.134 23.141 -27.506 1.00 0.00 C ATOM 587 CD ARG A 39 -1.626 23.585 -26.122 1.00 0.00 C ATOM 588 NE ARG A 39 -1.315 25.025 -26.097 1.00 0.00 N ATOM 589 CZ ARG A 39 -1.171 25.768 -24.993 1.00 0.00 C ATOM 590 NH1 ARG A 39 -1.351 25.249 -23.784 1.00 0.00 N ATOM 591 NH2 ARG A 39 -0.869 27.050 -25.107 1.00 0.00 N ATOM 0 H ARG A 39 -0.472 21.683 -29.060 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.800 20.887 -26.367 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.879 21.408 -28.557 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.206 21.391 -26.836 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.385 23.389 -28.258 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.033 23.705 -27.754 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.380 23.362 -25.368 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.735 23.015 -25.860 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.200 25.494 -26.995 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.604 24.266 -23.683 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.236 25.833 -22.956 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.748 27.465 -26.031 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.757 27.624 -24.271 1.00 0.00 H new ATOM 605 N MET A 40 -2.091 18.703 -26.266 1.00 0.00 N ATOM 606 CA MET A 40 -2.529 17.301 -26.133 1.00 0.00 C ATOM 607 C MET A 40 -3.750 17.225 -25.214 1.00 0.00 C ATOM 608 O MET A 40 -3.973 18.113 -24.381 1.00 0.00 O ATOM 609 CB MET A 40 -1.361 16.408 -25.612 1.00 0.00 C ATOM 610 CG MET A 40 -0.722 16.874 -24.293 1.00 0.00 C ATOM 611 SD MET A 40 0.728 15.896 -23.832 1.00 0.00 S ATOM 612 CE MET A 40 1.854 16.250 -25.184 1.00 0.00 C ATOM 0 H MET A 40 -2.158 19.236 -25.399 1.00 0.00 H new ATOM 0 HA MET A 40 -2.817 16.920 -27.113 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.733 15.392 -25.479 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.587 16.366 -26.378 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.434 17.921 -24.384 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.463 16.815 -23.495 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.859 15.924 -24.915 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.527 15.719 -26.078 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.861 17.322 -25.381 1.00 0.00 H new ATOM 622 N ASP A 41 -4.528 16.151 -25.389 1.00 0.00 N ATOM 623 CA ASP A 41 -5.751 15.876 -24.610 1.00 0.00 C ATOM 624 C ASP A 41 -5.383 15.548 -23.145 1.00 0.00 C ATOM 625 O ASP A 41 -4.226 15.239 -22.862 1.00 0.00 O ATOM 626 CB ASP A 41 -6.496 14.687 -25.287 1.00 0.00 C ATOM 627 CG ASP A 41 -7.853 14.337 -24.651 1.00 0.00 C ATOM 628 OD1 ASP A 41 -8.866 14.968 -25.001 1.00 0.00 O ATOM 629 OD2 ASP A 41 -7.912 13.439 -23.798 1.00 0.00 O ATOM 0 H ASP A 41 -4.326 15.434 -26.086 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.403 16.750 -24.594 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.653 14.925 -26.339 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.855 13.806 -25.252 1.00 0.00 H new ATOM 634 N ASN A 42 -6.375 15.628 -22.239 1.00 0.00 N ATOM 635 CA ASN A 42 -6.245 15.245 -20.805 1.00 0.00 C ATOM 636 C ASN A 42 -5.648 13.825 -20.647 1.00 0.00 C ATOM 637 O ASN A 42 -4.682 13.613 -19.900 1.00 0.00 O ATOM 638 CB ASN A 42 -7.657 15.317 -20.143 1.00 0.00 C ATOM 639 CG ASN A 42 -7.736 14.796 -18.700 1.00 0.00 C ATOM 640 OD1 ASN A 42 -6.791 14.892 -17.921 1.00 0.00 O ATOM 641 ND2 ASN A 42 -8.882 14.245 -18.332 1.00 0.00 N ATOM 0 H ASN A 42 -7.308 15.965 -22.478 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.562 15.937 -20.313 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.993 16.354 -20.156 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.356 14.748 -20.756 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.995 13.889 -17.383 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.652 14.177 -18.997 1.00 0.00 H new ATOM 648 N ASN A 43 -6.241 12.882 -21.390 1.00 0.00 N ATOM 649 CA ASN A 43 -5.855 11.465 -21.375 1.00 0.00 C ATOM 650 C ASN A 43 -4.507 11.249 -22.082 1.00 0.00 C ATOM 651 O ASN A 43 -3.695 10.450 -21.623 1.00 0.00 O ATOM 652 CB ASN A 43 -6.970 10.602 -22.023 1.00 0.00 C ATOM 653 CG ASN A 43 -8.301 10.707 -21.273 1.00 0.00 C ATOM 654 OD1 ASN A 43 -8.547 9.973 -20.320 1.00 0.00 O ATOM 655 ND2 ASN A 43 -9.167 11.619 -21.690 1.00 0.00 N ATOM 0 H ASN A 43 -7.012 13.084 -22.026 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.733 11.152 -20.338 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.113 10.916 -23.057 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.651 9.560 -22.047 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.064 11.725 -21.216 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.936 12.216 -22.485 1.00 0.00 H new ATOM 662 N ALA A 44 -4.275 11.995 -23.185 1.00 0.00 N ATOM 663 CA ALA A 44 -3.007 11.929 -23.955 1.00 0.00 C ATOM 664 C ALA A 44 -1.820 12.458 -23.120 1.00 0.00 C ATOM 665 O ALA A 44 -0.697 11.965 -23.241 1.00 0.00 O ATOM 666 CB ALA A 44 -3.138 12.709 -25.276 1.00 0.00 C ATOM 0 H ALA A 44 -4.953 12.655 -23.566 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.807 10.884 -24.190 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.200 12.650 -25.828 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.939 12.277 -25.876 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.368 13.753 -25.061 1.00 0.00 H new ATOM 672 N ALA A 45 -2.108 13.453 -22.260 1.00 0.00 N ATOM 673 CA ALA A 45 -1.128 14.056 -21.340 1.00 0.00 C ATOM 674 C ALA A 45 -0.835 13.109 -20.173 1.00 0.00 C ATOM 675 O ALA A 45 0.291 13.038 -19.711 1.00 0.00 O ATOM 676 CB ALA A 45 -1.643 15.409 -20.824 1.00 0.00 C ATOM 0 H ALA A 45 -3.038 13.865 -22.184 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.199 14.225 -21.884 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.909 15.843 -20.145 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.802 16.083 -21.666 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.584 15.262 -20.294 1.00 0.00 H new ATOM 682 N ALA A 46 -1.873 12.382 -19.713 1.00 0.00 N ATOM 683 CA ALA A 46 -1.745 11.380 -18.635 1.00 0.00 C ATOM 684 C ALA A 46 -0.859 10.203 -19.083 1.00 0.00 C ATOM 685 O ALA A 46 0.004 9.742 -18.327 1.00 0.00 O ATOM 686 CB ALA A 46 -3.137 10.894 -18.191 1.00 0.00 C ATOM 0 H ALA A 46 -2.822 12.472 -20.077 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.260 11.849 -17.779 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.028 10.156 -17.396 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.718 11.740 -17.824 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.652 10.441 -19.038 1.00 0.00 H new ATOM 692 N ILE A 47 -1.067 9.751 -20.337 1.00 0.00 N ATOM 693 CA ILE A 47 -0.268 8.673 -20.947 1.00 0.00 C ATOM 694 C ILE A 47 1.191 9.124 -21.103 1.00 0.00 C ATOM 695 O ILE A 47 2.098 8.468 -20.588 1.00 0.00 O ATOM 696 CB ILE A 47 -0.859 8.222 -22.348 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.270 7.558 -22.173 1.00 0.00 C ATOM 698 CG2 ILE A 47 0.114 7.280 -23.117 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.293 6.322 -21.273 1.00 0.00 C ATOM 0 H ILE A 47 -1.791 10.123 -20.952 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.310 7.810 -20.282 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.978 9.121 -22.953 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.956 8.300 -21.764 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.649 7.280 -23.156 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.332 6.996 -24.070 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.056 7.798 -23.297 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.300 6.385 -22.523 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.310 5.934 -21.213 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.637 5.557 -21.688 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.949 6.592 -20.275 1.00 0.00 H new ATOM 711 N LYS A 48 1.384 10.277 -21.773 1.00 0.00 N ATOM 712 CA LYS A 48 2.718 10.821 -22.092 1.00 0.00 C ATOM 713 C LYS A 48 3.502 11.177 -20.808 1.00 0.00 C ATOM 714 O LYS A 48 4.720 11.085 -20.794 1.00 0.00 O ATOM 715 CB LYS A 48 2.581 12.049 -23.037 1.00 0.00 C ATOM 716 CG LYS A 48 3.912 12.620 -23.595 1.00 0.00 C ATOM 717 CD LYS A 48 4.693 11.602 -24.462 1.00 0.00 C ATOM 718 CE LYS A 48 5.976 12.205 -25.060 1.00 0.00 C ATOM 719 NZ LYS A 48 6.701 11.246 -25.932 1.00 0.00 N ATOM 0 H LYS A 48 0.617 10.859 -22.109 1.00 0.00 H new ATOM 0 HA LYS A 48 3.291 10.052 -22.611 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.947 11.768 -23.878 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.064 12.843 -22.498 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.698 13.507 -24.191 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.541 12.938 -22.764 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.951 10.734 -23.855 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.051 11.247 -25.268 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.721 13.095 -25.636 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.634 12.526 -24.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.660 11.602 -26.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.760 10.322 -25.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.191 11.141 -26.832 1.00 0.00 H new ATOM 733 N ALA A 49 2.779 11.540 -19.729 1.00 0.00 N ATOM 734 CA ALA A 49 3.376 11.815 -18.400 1.00 0.00 C ATOM 735 C ALA A 49 4.033 10.552 -17.835 1.00 0.00 C ATOM 736 O ALA A 49 5.189 10.580 -17.407 1.00 0.00 O ATOM 737 CB ALA A 49 2.316 12.341 -17.420 1.00 0.00 C ATOM 0 H ALA A 49 1.765 11.652 -19.751 1.00 0.00 H new ATOM 0 HA ALA A 49 4.139 12.583 -18.527 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.779 12.535 -16.453 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.887 13.265 -17.809 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.528 11.597 -17.302 1.00 0.00 H new ATOM 743 N LEU A 50 3.272 9.445 -17.885 1.00 0.00 N ATOM 744 CA LEU A 50 3.737 8.120 -17.434 1.00 0.00 C ATOM 745 C LEU A 50 4.835 7.558 -18.363 1.00 0.00 C ATOM 746 O LEU A 50 5.680 6.793 -17.906 1.00 0.00 O ATOM 747 CB LEU A 50 2.536 7.125 -17.310 1.00 0.00 C ATOM 748 CG LEU A 50 1.782 7.100 -15.939 1.00 0.00 C ATOM 749 CD1 LEU A 50 2.707 6.589 -14.810 1.00 0.00 C ATOM 750 CD2 LEU A 50 1.179 8.476 -15.593 1.00 0.00 C ATOM 0 H LEU A 50 2.316 9.443 -18.240 1.00 0.00 H new ATOM 0 HA LEU A 50 4.181 8.241 -16.446 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.814 7.364 -18.091 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.905 6.120 -17.514 1.00 0.00 H new ATOM 0 HG LEU A 50 0.950 6.402 -16.034 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.160 6.581 -13.867 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.042 5.579 -15.044 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.572 7.247 -14.722 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.664 8.417 -14.634 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.976 9.217 -15.532 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.470 8.768 -16.368 1.00 0.00 H new ATOM 762 N GLU A 51 4.809 7.945 -19.656 1.00 0.00 N ATOM 763 CA GLU A 51 5.856 7.569 -20.627 1.00 0.00 C ATOM 764 C GLU A 51 7.186 8.239 -20.260 1.00 0.00 C ATOM 765 O GLU A 51 8.208 7.572 -20.149 1.00 0.00 O ATOM 766 CB GLU A 51 5.443 7.951 -22.071 1.00 0.00 C ATOM 767 CG GLU A 51 4.237 7.167 -22.624 1.00 0.00 C ATOM 768 CD GLU A 51 4.485 5.649 -22.665 1.00 0.00 C ATOM 769 OE1 GLU A 51 5.268 5.198 -23.519 1.00 0.00 O ATOM 770 OE2 GLU A 51 3.908 4.904 -21.840 1.00 0.00 O ATOM 0 H GLU A 51 4.068 8.522 -20.053 1.00 0.00 H new ATOM 0 HA GLU A 51 5.981 6.487 -20.587 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.211 9.016 -22.098 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.295 7.794 -22.732 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.362 7.372 -22.007 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.008 7.521 -23.629 1.00 0.00 H new ATOM 777 N LEU A 52 7.129 9.557 -20.029 1.00 0.00 N ATOM 778 CA LEU A 52 8.296 10.368 -19.632 1.00 0.00 C ATOM 779 C LEU A 52 8.796 9.969 -18.225 1.00 0.00 C ATOM 780 O LEU A 52 9.975 10.135 -17.907 1.00 0.00 O ATOM 781 CB LEU A 52 7.944 11.878 -19.682 1.00 0.00 C ATOM 782 CG LEU A 52 7.509 12.460 -21.070 1.00 0.00 C ATOM 783 CD1 LEU A 52 7.135 13.957 -20.954 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.586 12.232 -22.155 1.00 0.00 C ATOM 0 H LEU A 52 6.268 10.098 -20.112 1.00 0.00 H new ATOM 0 HA LEU A 52 9.103 10.176 -20.340 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.140 12.062 -18.970 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.811 12.440 -19.336 1.00 0.00 H new ATOM 0 HG LEU A 52 6.619 11.915 -21.385 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.837 14.334 -21.932 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.308 14.072 -20.253 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.996 14.520 -20.595 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.244 12.651 -23.101 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.513 12.721 -21.856 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.762 11.163 -22.274 1.00 0.00 H new ATOM 796 N TYR A 53 7.880 9.438 -17.402 1.00 0.00 N ATOM 797 CA TYR A 53 8.182 8.960 -16.042 1.00 0.00 C ATOM 798 C TYR A 53 8.977 7.640 -16.078 1.00 0.00 C ATOM 799 O TYR A 53 10.018 7.524 -15.420 1.00 0.00 O ATOM 800 CB TYR A 53 6.864 8.805 -15.234 1.00 0.00 C ATOM 801 CG TYR A 53 7.020 8.196 -13.827 1.00 0.00 C ATOM 802 CD1 TYR A 53 7.676 8.894 -12.808 1.00 0.00 C ATOM 803 CD2 TYR A 53 6.506 6.928 -13.522 1.00 0.00 C ATOM 804 CE1 TYR A 53 7.816 8.349 -11.549 1.00 0.00 C ATOM 805 CE2 TYR A 53 6.645 6.389 -12.262 1.00 0.00 C ATOM 806 CZ TYR A 53 7.297 7.102 -11.282 1.00 0.00 C ATOM 807 OH TYR A 53 7.440 6.566 -10.028 1.00 0.00 O ATOM 0 H TYR A 53 6.900 9.327 -17.662 1.00 0.00 H new ATOM 0 HA TYR A 53 8.810 9.698 -15.543 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.399 9.786 -15.137 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.177 8.182 -15.807 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.079 9.875 -13.010 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.993 6.365 -14.287 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.331 8.899 -10.775 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.244 5.410 -12.044 1.00 0.00 H new ATOM 0 HH TYR A 53 7.019 5.682 -10.000 1.00 0.00 H new ATOM 817 N LYS A 54 8.483 6.657 -16.862 1.00 0.00 N ATOM 818 CA LYS A 54 9.061 5.296 -16.905 1.00 0.00 C ATOM 819 C LYS A 54 10.447 5.294 -17.584 1.00 0.00 C ATOM 820 O LYS A 54 11.355 4.580 -17.143 1.00 0.00 O ATOM 821 CB LYS A 54 8.092 4.290 -17.600 1.00 0.00 C ATOM 822 CG LYS A 54 7.823 4.551 -19.105 1.00 0.00 C ATOM 823 CD LYS A 54 6.770 3.598 -19.719 1.00 0.00 C ATOM 824 CE LYS A 54 5.396 3.709 -19.049 1.00 0.00 C ATOM 825 NZ LYS A 54 4.378 2.894 -19.751 1.00 0.00 N ATOM 0 H LYS A 54 7.680 6.783 -17.478 1.00 0.00 H new ATOM 0 HA LYS A 54 9.198 4.967 -15.875 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.500 3.285 -17.491 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.139 4.306 -17.071 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.488 5.580 -19.233 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.758 4.450 -19.656 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.668 3.816 -20.782 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.126 2.571 -19.636 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.470 3.384 -18.011 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.081 4.752 -19.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.592 2.686 -19.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.018 3.420 -20.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.808 2.003 -20.072 1.00 0.00 H new ATOM 839 N ILE A 55 10.605 6.121 -18.640 1.00 0.00 N ATOM 840 CA ILE A 55 11.883 6.251 -19.377 1.00 0.00 C ATOM 841 C ILE A 55 12.860 7.184 -18.628 1.00 0.00 C ATOM 842 O ILE A 55 14.067 7.143 -18.886 1.00 0.00 O ATOM 843 CB ILE A 55 11.672 6.780 -20.853 1.00 0.00 C ATOM 844 CG1 ILE A 55 11.179 8.271 -20.877 1.00 0.00 C ATOM 845 CG2 ILE A 55 10.692 5.852 -21.627 1.00 0.00 C ATOM 846 CD1 ILE A 55 10.927 8.848 -22.265 1.00 0.00 C ATOM 0 H ILE A 55 9.858 6.713 -19.004 1.00 0.00 H new ATOM 0 HA ILE A 55 12.311 5.250 -19.435 1.00 0.00 H new ATOM 0 HB ILE A 55 12.639 6.758 -21.355 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.258 8.342 -20.299 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.921 8.890 -20.372 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.557 6.230 -22.641 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.102 4.843 -21.667 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.729 5.833 -21.116 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.590 9.881 -22.174 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.849 8.817 -22.845 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.161 8.260 -22.770 1.00 0.00 H new ATOM 858 N ASN A 56 12.300 8.004 -17.696 1.00 0.00 N ATOM 859 CA ASN A 56 13.031 9.051 -16.954 1.00 0.00 C ATOM 860 C ASN A 56 13.646 10.054 -17.945 1.00 0.00 C ATOM 861 O ASN A 56 14.862 10.079 -18.179 1.00 0.00 O ATOM 862 CB ASN A 56 14.082 8.443 -15.983 1.00 0.00 C ATOM 863 CG ASN A 56 13.453 7.567 -14.893 1.00 0.00 C ATOM 864 OD1 ASN A 56 13.150 8.037 -13.796 1.00 0.00 O ATOM 865 ND2 ASN A 56 13.231 6.291 -15.195 1.00 0.00 N ATOM 0 H ASN A 56 11.314 7.949 -17.441 1.00 0.00 H new ATOM 0 HA ASN A 56 12.328 9.593 -16.322 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.795 7.848 -16.554 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.645 9.250 -15.513 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.798 5.672 -14.509 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.493 5.931 -16.113 1.00 0.00 H new ATOM 872 N ALA A 57 12.752 10.824 -18.574 1.00 0.00 N ATOM 873 CA ALA A 57 13.084 11.808 -19.610 1.00 0.00 C ATOM 874 C ALA A 57 13.670 13.103 -19.018 1.00 0.00 C ATOM 875 O ALA A 57 13.940 13.203 -17.810 1.00 0.00 O ATOM 876 CB ALA A 57 11.821 12.118 -20.439 1.00 0.00 C ATOM 0 H ALA A 57 11.753 10.779 -18.372 1.00 0.00 H new ATOM 0 HA ALA A 57 13.854 11.378 -20.251 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.063 12.849 -21.211 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.459 11.203 -20.907 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.047 12.522 -19.786 1.00 0.00 H new ATOM 882 N LYS A 58 13.897 14.075 -19.918 1.00 0.00 N ATOM 883 CA LYS A 58 14.316 15.435 -19.559 1.00 0.00 C ATOM 884 C LYS A 58 13.200 16.140 -18.747 1.00 0.00 C ATOM 885 O LYS A 58 12.212 16.656 -19.295 1.00 0.00 O ATOM 886 CB LYS A 58 14.697 16.215 -20.859 1.00 0.00 C ATOM 887 CG LYS A 58 13.609 16.227 -21.967 1.00 0.00 C ATOM 888 CD LYS A 58 14.131 16.723 -23.336 1.00 0.00 C ATOM 889 CE LYS A 58 14.686 18.159 -23.307 1.00 0.00 C ATOM 890 NZ LYS A 58 15.148 18.591 -24.652 1.00 0.00 N ATOM 0 H LYS A 58 13.793 13.935 -20.923 1.00 0.00 H new ATOM 0 HA LYS A 58 15.198 15.403 -18.920 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.930 17.245 -20.590 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.607 15.779 -21.271 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.208 15.220 -22.083 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.784 16.864 -21.649 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.914 16.048 -23.682 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.321 16.671 -24.064 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.915 18.841 -22.949 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.514 18.216 -22.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.500 19.568 -24.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.913 17.964 -24.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.355 18.543 -25.323 1.00 0.00 H new ATOM 904 N LEU A 59 13.336 16.083 -17.414 1.00 0.00 N ATOM 905 CA LEU A 59 12.399 16.735 -16.495 1.00 0.00 C ATOM 906 C LEU A 59 12.781 18.214 -16.324 1.00 0.00 C ATOM 907 O LEU A 59 13.895 18.533 -15.887 1.00 0.00 O ATOM 908 CB LEU A 59 12.355 16.008 -15.128 1.00 0.00 C ATOM 909 CG LEU A 59 11.324 16.588 -14.109 1.00 0.00 C ATOM 910 CD1 LEU A 59 9.902 16.647 -14.728 1.00 0.00 C ATOM 911 CD2 LEU A 59 11.336 15.783 -12.787 1.00 0.00 C ATOM 0 H LEU A 59 14.095 15.586 -16.947 1.00 0.00 H new ATOM 0 HA LEU A 59 11.398 16.679 -16.922 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.123 14.957 -15.299 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.348 16.047 -14.680 1.00 0.00 H new ATOM 0 HG LEU A 59 11.621 17.610 -13.873 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.204 17.055 -13.997 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.916 17.285 -15.612 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.586 15.643 -15.011 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.609 16.208 -12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.078 14.744 -12.991 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.330 15.829 -12.342 1.00 0.00 H new ATOM 923 N CYS A 60 11.841 19.100 -16.667 1.00 0.00 N ATOM 924 CA CYS A 60 12.071 20.538 -16.709 1.00 0.00 C ATOM 925 C CYS A 60 11.919 21.159 -15.315 1.00 0.00 C ATOM 926 O CYS A 60 10.891 20.967 -14.648 1.00 0.00 O ATOM 927 CB CYS A 60 11.104 21.205 -17.698 1.00 0.00 C ATOM 928 SG CYS A 60 11.501 22.951 -17.969 1.00 0.00 S ATOM 0 H CYS A 60 10.891 18.831 -16.925 1.00 0.00 H new ATOM 0 HA CYS A 60 13.093 20.708 -17.048 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.137 20.675 -18.650 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.085 21.120 -17.321 1.00 0.00 H new ATOM 933 N ASP A 61 12.959 21.887 -14.886 1.00 0.00 N ATOM 934 CA ASP A 61 12.973 22.605 -13.607 1.00 0.00 C ATOM 935 C ASP A 61 12.086 23.871 -13.670 1.00 0.00 C ATOM 936 O ASP A 61 11.910 24.456 -14.756 1.00 0.00 O ATOM 937 CB ASP A 61 14.426 23.009 -13.234 1.00 0.00 C ATOM 938 CG ASP A 61 15.339 21.806 -12.940 1.00 0.00 C ATOM 939 OD1 ASP A 61 15.739 21.103 -13.891 1.00 0.00 O ATOM 940 OD2 ASP A 61 15.657 21.556 -11.759 1.00 0.00 O ATOM 0 H ASP A 61 13.820 21.994 -15.422 1.00 0.00 H new ATOM 0 HA ASP A 61 12.573 21.937 -12.844 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.855 23.590 -14.051 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.401 23.659 -12.359 1.00 0.00 H new ATOM 945 N PRO A 62 11.471 24.284 -12.512 1.00 0.00 N ATOM 946 CA PRO A 62 10.869 25.627 -12.359 1.00 0.00 C ATOM 947 C PRO A 62 11.932 26.736 -12.519 1.00 0.00 C ATOM 948 O PRO A 62 13.063 26.574 -12.038 1.00 0.00 O ATOM 949 CB PRO A 62 10.286 25.608 -10.914 1.00 0.00 C ATOM 950 CG PRO A 62 10.109 24.151 -10.604 1.00 0.00 C ATOM 951 CD PRO A 62 11.265 23.461 -11.286 1.00 0.00 C ATOM 0 HA PRO A 62 10.113 25.839 -13.115 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.963 26.086 -10.206 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.338 26.144 -10.860 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.122 23.972 -9.529 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.154 23.782 -10.977 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.154 23.446 -10.656 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.030 22.425 -11.530 1.00 0.00 H new ATOM 959 N HIS A 63 11.579 27.844 -13.199 1.00 0.00 N ATOM 960 CA HIS A 63 12.513 28.960 -13.432 1.00 0.00 C ATOM 961 C HIS A 63 12.726 29.768 -12.121 1.00 0.00 C ATOM 962 O HIS A 63 11.748 30.245 -11.532 1.00 0.00 O ATOM 963 CB HIS A 63 12.030 29.867 -14.607 1.00 0.00 C ATOM 964 CG HIS A 63 10.700 30.579 -14.424 1.00 0.00 C ATOM 965 ND1 HIS A 63 9.486 29.990 -14.705 1.00 0.00 N ATOM 966 CD2 HIS A 63 10.404 31.844 -14.021 1.00 0.00 C ATOM 967 CE1 HIS A 63 8.513 30.851 -14.486 1.00 0.00 C ATOM 968 NE2 HIS A 63 9.043 31.980 -14.075 1.00 0.00 N ATOM 0 H HIS A 63 10.651 27.989 -13.597 1.00 0.00 H new ATOM 0 HA HIS A 63 13.478 28.549 -13.730 1.00 0.00 H new ATOM 0 HB2 HIS A 63 12.796 30.621 -14.791 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.965 29.253 -15.505 1.00 0.00 H new ATOM 0 HD1 HIS A 63 9.360 29.032 -15.033 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.111 32.601 -13.715 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.459 30.661 -14.621 1.00 0.00 H new ATOM 977 N PRO A 64 13.996 29.865 -11.600 1.00 0.00 N ATOM 978 CA PRO A 64 14.326 30.720 -10.450 1.00 0.00 C ATOM 979 C PRO A 64 14.692 32.166 -10.912 1.00 0.00 C ATOM 980 O PRO A 64 13.775 33.000 -11.004 1.00 0.00 O ATOM 981 CB PRO A 64 15.504 29.956 -9.776 1.00 0.00 C ATOM 982 CG PRO A 64 16.107 29.067 -10.847 1.00 0.00 C ATOM 983 CD PRO A 64 15.202 29.140 -12.075 1.00 0.00 C ATOM 984 OXT PRO A 64 15.870 32.450 -11.218 1.00 0.00 O ATOM 0 HA PRO A 64 13.501 30.877 -9.755 1.00 0.00 H new ATOM 0 HB2 PRO A 64 16.246 30.653 -9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 64 15.150 29.363 -8.933 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.116 29.398 -11.095 1.00 0.00 H new ATOM 0 HG3 PRO A 64 16.187 28.040 -10.491 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.687 29.669 -12.895 1.00 0.00 H new ATOM 0 HD3 PRO A 64 14.949 28.145 -12.442 1.00 0.00 H new TER 992 PRO A 64 HETATM 993 ZN ZN A 65 10.032 24.193 -19.278 1.00 0.00 ZN