USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 424 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 CYS SG : rot 82:sc= 0.192 USER MOD Set 1.2: A 43 CYS SG : rot 180:sc= 0.236 USER MOD Set 2.1: A 18 ASN : amide:sc= -1.29 K(o=-1.7,f=-0.18) USER MOD Set 2.2: A 24 THR OG1 : rot -150:sc= -0.396 USER MOD Set 3.1: A 7 CYS SG : rot 180:sc= 0.451 USER MOD Set 3.2: A 36 CYS SG : rot 96:sc= -0.0451 USER MOD Set 3.3: A 41 ASN : amide:sc= -3.36 K(o=-3,f=-3.5!) USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.107 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= -0.0608 (180deg=-0.348) USER MOD Single : A 8 THR OG1 : rot 69:sc= 1.12 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.27 K(o=-2.3,f=-0.94) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.012) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.324) USER MOD Single : A 28 CYS SG : rot 180:sc= -0.149 USER MOD Single : A 30 LYS NZ :NH3+ 145:sc= -0.611 (180deg=-3.15!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.93 K(o=-2.9,f=-4.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0707 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.625 X(o=-0.63,f=-0.45) USER MOD Single : A 50 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.071) USER MOD Single : A 54 CYS SG : rot 180:sc= -0.295 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.477 -0.057 0.511 1.00 0.00 N ATOM 2 CA ALA A 1 -15.586 0.625 -0.419 1.00 0.00 C ATOM 3 C ALA A 1 -14.133 0.233 -0.175 1.00 0.00 C ATOM 4 O ALA A 1 -13.797 -0.330 0.867 1.00 0.00 O ATOM 5 CB ALA A 1 -15.755 2.132 -0.302 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.088 -0.715 -0.013 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.914 -0.587 1.206 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.066 0.644 1.004 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.852 0.318 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.084 2.629 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.785 2.402 -0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.517 2.447 0.714 1.00 0.00 H new ATOM 11 N LYS A 2 -13.273 0.533 -1.143 1.00 0.00 N ATOM 12 CA LYS A 2 -11.855 0.212 -1.035 1.00 0.00 C ATOM 13 C LYS A 2 -11.028 1.076 -1.980 1.00 0.00 C ATOM 14 O LYS A 2 -11.574 1.821 -2.795 1.00 0.00 O ATOM 15 CB LYS A 2 -11.621 -1.269 -1.343 1.00 0.00 C ATOM 16 CG LYS A 2 -11.964 -1.654 -2.772 1.00 0.00 C ATOM 17 CD LYS A 2 -13.455 -1.904 -2.938 1.00 0.00 C ATOM 18 CE LYS A 2 -13.722 -3.101 -3.838 1.00 0.00 C ATOM 19 NZ LYS A 2 -15.178 -3.305 -4.072 1.00 0.00 N ATOM 0 H LYS A 2 -13.534 0.999 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.538 0.418 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.576 -1.511 -1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.218 -1.873 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.649 -0.860 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.410 -2.550 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.908 -2.074 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.929 -1.018 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.217 -2.957 -4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.298 -3.997 -3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.318 -4.130 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.656 -3.468 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.578 -2.460 -4.527 1.00 0.00 H new ATOM 33 N TYR A 3 -9.708 0.971 -1.869 1.00 0.00 N ATOM 34 CA TYR A 3 -8.806 1.744 -2.714 1.00 0.00 C ATOM 35 C TYR A 3 -7.755 0.843 -3.356 1.00 0.00 C ATOM 36 O TYR A 3 -7.568 -0.303 -2.947 1.00 0.00 O ATOM 37 CB TYR A 3 -8.123 2.840 -1.896 1.00 0.00 C ATOM 38 CG TYR A 3 -9.091 3.780 -1.213 1.00 0.00 C ATOM 39 CD1 TYR A 3 -9.753 3.402 -0.052 1.00 0.00 C ATOM 40 CD2 TYR A 3 -9.342 5.045 -1.729 1.00 0.00 C ATOM 41 CE1 TYR A 3 -10.640 4.257 0.574 1.00 0.00 C ATOM 42 CE2 TYR A 3 -10.227 5.906 -1.108 1.00 0.00 C ATOM 43 CZ TYR A 3 -10.873 5.508 0.043 1.00 0.00 C ATOM 44 OH TYR A 3 -11.754 6.362 0.665 1.00 0.00 O ATOM 0 H TYR A 3 -9.239 0.358 -1.202 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.396 2.205 -3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.487 2.376 -1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.471 3.417 -2.551 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.572 2.424 0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.837 5.361 -2.630 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -11.148 3.947 1.475 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.412 6.886 -1.523 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.803 7.203 0.164 1.00 0.00 H new ATOM 54 N THR A 4 -7.070 1.371 -4.365 1.00 0.00 N ATOM 55 CA THR A 4 -6.038 0.616 -5.065 1.00 0.00 C ATOM 56 C THR A 4 -4.901 1.527 -5.516 1.00 0.00 C ATOM 57 O THR A 4 -5.136 2.599 -6.072 1.00 0.00 O ATOM 58 CB THR A 4 -6.612 -0.115 -6.294 1.00 0.00 C ATOM 59 OG1 THR A 4 -5.620 -0.980 -6.857 1.00 0.00 O ATOM 60 CG2 THR A 4 -7.082 0.878 -7.344 1.00 0.00 C ATOM 0 H THR A 4 -7.211 2.318 -4.716 1.00 0.00 H new ATOM 0 HA THR A 4 -5.653 -0.121 -4.360 1.00 0.00 H new ATOM 0 HB THR A 4 -7.468 -0.707 -5.970 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.993 -1.442 -7.636 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.483 0.338 -8.202 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.859 1.515 -6.921 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.242 1.494 -7.664 1.00 0.00 H new ATOM 68 N GLY A 5 -3.668 1.092 -5.273 1.00 0.00 N ATOM 69 CA GLY A 5 -2.514 1.880 -5.662 1.00 0.00 C ATOM 70 C GLY A 5 -1.302 1.022 -5.966 1.00 0.00 C ATOM 71 O GLY A 5 -1.418 -0.027 -6.600 1.00 0.00 O ATOM 0 H GLY A 5 -3.448 0.208 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.764 2.475 -6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.269 2.579 -4.862 1.00 0.00 H new ATOM 75 N LYS A 6 -0.135 1.469 -5.516 1.00 0.00 N ATOM 76 CA LYS A 6 1.105 0.736 -5.743 1.00 0.00 C ATOM 77 C LYS A 6 2.039 0.862 -4.544 1.00 0.00 C ATOM 78 O LYS A 6 1.800 1.663 -3.639 1.00 0.00 O ATOM 79 CB LYS A 6 1.803 1.252 -7.003 1.00 0.00 C ATOM 80 CG LYS A 6 0.842 1.729 -8.079 1.00 0.00 C ATOM 81 CD LYS A 6 1.564 2.010 -9.386 1.00 0.00 C ATOM 82 CE LYS A 6 2.086 3.438 -9.438 1.00 0.00 C ATOM 83 NZ LYS A 6 0.979 4.431 -9.521 1.00 0.00 N ATOM 0 H LYS A 6 -0.022 2.336 -4.991 1.00 0.00 H new ATOM 0 HA LYS A 6 0.856 -0.317 -5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.466 2.073 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.429 0.459 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.073 0.974 -8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.335 2.633 -7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.394 1.313 -9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.886 1.839 -10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.687 3.637 -8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.743 3.553 -10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.336 5.315 -9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.216 4.052 -10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.610 4.620 -8.567 1.00 0.00 H new ATOM 97 N CYS A 7 3.105 0.069 -4.544 1.00 0.00 N ATOM 98 CA CYS A 7 4.076 0.092 -3.455 1.00 0.00 C ATOM 99 C CYS A 7 5.501 0.073 -3.999 1.00 0.00 C ATOM 100 O CYS A 7 5.763 -0.478 -5.068 1.00 0.00 O ATOM 101 CB CYS A 7 3.857 -1.099 -2.523 1.00 0.00 C ATOM 102 SG CYS A 7 3.524 -2.657 -3.379 1.00 0.00 S ATOM 0 H CYS A 7 3.319 -0.598 -5.286 1.00 0.00 H new ATOM 0 HA CYS A 7 3.933 1.014 -2.892 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.740 -1.223 -1.896 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.023 -0.877 -1.858 1.00 0.00 H new ATOM 0 HG CYS A 7 3.355 -3.605 -2.505 1.00 0.00 H new ATOM 108 N THR A 8 6.421 0.680 -3.254 1.00 0.00 N ATOM 109 CA THR A 8 7.819 0.734 -3.662 1.00 0.00 C ATOM 110 C THR A 8 8.591 -0.473 -3.141 1.00 0.00 C ATOM 111 O THR A 8 8.299 -0.994 -2.065 1.00 0.00 O ATOM 112 CB THR A 8 8.500 2.021 -3.160 1.00 0.00 C ATOM 113 OG1 THR A 8 7.617 2.735 -2.289 1.00 0.00 O ATOM 114 CG2 THR A 8 8.902 2.912 -4.325 1.00 0.00 C ATOM 0 H THR A 8 6.222 1.140 -2.366 1.00 0.00 H new ATOM 0 HA THR A 8 7.831 0.726 -4.752 1.00 0.00 H new ATOM 0 HB THR A 8 9.400 1.739 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.502 2.232 -1.456 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.381 3.814 -3.945 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.598 2.376 -4.970 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.015 3.185 -4.897 1.00 0.00 H new ATOM 122 N LYS A 9 9.579 -0.914 -3.912 1.00 0.00 N ATOM 123 CA LYS A 9 10.397 -2.060 -3.529 1.00 0.00 C ATOM 124 C LYS A 9 11.017 -1.848 -2.151 1.00 0.00 C ATOM 125 O LYS A 9 10.584 -2.446 -1.166 1.00 0.00 O ATOM 126 CB LYS A 9 11.498 -2.297 -4.565 1.00 0.00 C ATOM 127 CG LYS A 9 11.182 -3.417 -5.541 1.00 0.00 C ATOM 128 CD LYS A 9 12.446 -3.983 -6.167 1.00 0.00 C ATOM 129 CE LYS A 9 12.816 -3.241 -7.443 1.00 0.00 C ATOM 130 NZ LYS A 9 14.217 -2.738 -7.404 1.00 0.00 N ATOM 0 H LYS A 9 9.833 -0.495 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 9 9.752 -2.938 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.665 -1.376 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.429 -2.529 -4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.644 -4.211 -5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.523 -3.043 -6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.268 -3.916 -5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.302 -5.040 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.692 -3.905 -8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.133 -2.404 -7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.431 -2.238 -8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.329 -2.085 -6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.870 -3.539 -7.292 1.00 0.00 H new ATOM 144 N SER A 10 12.033 -0.993 -2.090 1.00 0.00 N ATOM 145 CA SER A 10 12.714 -0.705 -0.834 1.00 0.00 C ATOM 146 C SER A 10 11.738 -0.149 0.198 1.00 0.00 C ATOM 147 O SER A 10 11.862 -0.414 1.395 1.00 0.00 O ATOM 148 CB SER A 10 13.853 0.291 -1.063 1.00 0.00 C ATOM 149 OG SER A 10 13.353 1.601 -1.263 1.00 0.00 O ATOM 0 H SER A 10 12.402 -0.488 -2.896 1.00 0.00 H new ATOM 0 HA SER A 10 13.128 -1.638 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.526 0.282 -0.205 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.438 -0.014 -1.930 1.00 0.00 H new ATOM 0 HG SER A 10 14.101 2.218 -1.405 1.00 0.00 H new ATOM 155 N LYS A 11 10.766 0.624 -0.272 1.00 0.00 N ATOM 156 CA LYS A 11 9.767 1.219 0.607 1.00 0.00 C ATOM 157 C LYS A 11 8.412 0.539 0.429 1.00 0.00 C ATOM 158 O LYS A 11 7.628 0.917 -0.440 1.00 0.00 O ATOM 159 CB LYS A 11 9.638 2.718 0.328 1.00 0.00 C ATOM 160 CG LYS A 11 10.239 3.593 1.415 1.00 0.00 C ATOM 161 CD LYS A 11 11.368 4.456 0.875 1.00 0.00 C ATOM 162 CE LYS A 11 12.516 4.555 1.868 1.00 0.00 C ATOM 163 NZ LYS A 11 13.229 5.858 1.764 1.00 0.00 N ATOM 0 H LYS A 11 10.649 0.854 -1.259 1.00 0.00 H new ATOM 0 HA LYS A 11 10.094 1.075 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.125 2.946 -0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.583 2.968 0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.464 4.230 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.614 2.965 2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.732 4.036 -0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.990 5.454 0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.132 4.431 2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.219 3.741 1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.004 5.886 2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.618 5.966 0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.564 6.634 1.957 1.00 0.00 H new ATOM 177 N ASN A 12 8.144 -0.464 1.257 1.00 0.00 N ATOM 178 CA ASN A 12 6.884 -1.194 1.192 1.00 0.00 C ATOM 179 C ASN A 12 5.766 -0.414 1.876 1.00 0.00 C ATOM 180 O ASN A 12 5.316 -0.779 2.962 1.00 0.00 O ATOM 181 CB ASN A 12 7.033 -2.571 1.843 1.00 0.00 C ATOM 182 CG ASN A 12 5.723 -3.332 1.894 1.00 0.00 C ATOM 183 OD1 ASN A 12 4.926 -3.281 0.956 1.00 0.00 O ATOM 184 ND2 ASN A 12 5.493 -4.043 2.991 1.00 0.00 N ATOM 0 H ASN A 12 8.783 -0.790 1.982 1.00 0.00 H new ATOM 0 HA ASN A 12 6.622 -1.323 0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.767 -3.155 1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.420 -2.451 2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.628 -4.576 3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.181 -4.057 3.744 1.00 0.00 H new ATOM 191 N GLU A 13 5.322 0.661 1.233 1.00 0.00 N ATOM 192 CA GLU A 13 4.257 1.492 1.780 1.00 0.00 C ATOM 193 C GLU A 13 3.264 1.892 0.692 1.00 0.00 C ATOM 194 O GLU A 13 3.649 2.142 -0.452 1.00 0.00 O ATOM 195 CB GLU A 13 4.843 2.745 2.436 1.00 0.00 C ATOM 196 CG GLU A 13 5.251 3.818 1.441 1.00 0.00 C ATOM 197 CD GLU A 13 6.556 4.494 1.815 1.00 0.00 C ATOM 198 OE1 GLU A 13 6.928 4.448 3.006 1.00 0.00 O ATOM 199 OE2 GLU A 13 7.203 5.071 0.916 1.00 0.00 O ATOM 0 H GLU A 13 5.683 0.977 0.333 1.00 0.00 H new ATOM 0 HA GLU A 13 3.728 0.909 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.109 3.161 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.713 2.462 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.348 3.372 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.463 4.568 1.377 1.00 0.00 H new ATOM 206 N CYS A 14 1.988 1.949 1.055 1.00 0.00 N ATOM 207 CA CYS A 14 0.940 2.317 0.110 1.00 0.00 C ATOM 208 C CYS A 14 0.775 3.832 0.042 1.00 0.00 C ATOM 209 O CYS A 14 0.415 4.473 1.030 1.00 0.00 O ATOM 210 CB CYS A 14 -0.386 1.665 0.507 1.00 0.00 C ATOM 211 SG CYS A 14 -1.757 2.041 -0.609 1.00 0.00 S ATOM 0 H CYS A 14 1.654 1.745 1.997 1.00 0.00 H new ATOM 0 HA CYS A 14 1.233 1.957 -0.876 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.250 0.584 0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.651 1.990 1.513 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.699 1.260 -1.646 1.00 0.00 H new ATOM 217 N LYS A 15 1.042 4.399 -1.128 1.00 0.00 N ATOM 218 CA LYS A 15 0.925 5.839 -1.327 1.00 0.00 C ATOM 219 C LYS A 15 -0.340 6.179 -2.110 1.00 0.00 C ATOM 220 O LYS A 15 -0.274 6.768 -3.189 1.00 0.00 O ATOM 221 CB LYS A 15 2.153 6.376 -2.064 1.00 0.00 C ATOM 222 CG LYS A 15 2.408 5.694 -3.398 1.00 0.00 C ATOM 223 CD LYS A 15 3.538 4.683 -3.301 1.00 0.00 C ATOM 224 CE LYS A 15 4.084 4.325 -4.674 1.00 0.00 C ATOM 225 NZ LYS A 15 4.974 5.390 -5.213 1.00 0.00 N ATOM 0 H LYS A 15 1.342 3.883 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 15 0.863 6.311 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.027 7.446 -2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.030 6.253 -1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.499 5.194 -3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.653 6.444 -4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.339 5.089 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.179 3.781 -2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.636 3.387 -4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.255 4.162 -5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.405 5.065 -6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.417 6.250 -5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.722 5.600 -4.522 1.00 0.00 H new ATOM 239 N TYR A 16 -1.490 5.806 -1.558 1.00 0.00 N ATOM 240 CA TYR A 16 -2.768 6.071 -2.205 1.00 0.00 C ATOM 241 C TYR A 16 -3.344 7.408 -1.748 1.00 0.00 C ATOM 242 O TYR A 16 -2.686 8.173 -1.042 1.00 0.00 O ATOM 243 CB TYR A 16 -3.760 4.947 -1.902 1.00 0.00 C ATOM 244 CG TYR A 16 -4.407 5.060 -0.541 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.697 4.756 0.615 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.728 5.472 -0.409 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.284 4.858 1.862 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.322 5.578 0.834 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.597 5.269 1.966 1.00 0.00 C ATOM 250 OH TYR A 16 -6.185 5.372 3.205 1.00 0.00 O ATOM 0 H TYR A 16 -1.562 5.320 -0.664 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.598 6.117 -3.281 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.538 4.945 -2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.243 3.990 -1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.669 4.435 0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.300 5.713 -1.293 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.718 4.617 2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.349 5.901 0.919 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.111 5.675 3.103 1.00 0.00 H new ATOM 260 N LYS A 17 -4.578 7.684 -2.156 1.00 0.00 N ATOM 261 CA LYS A 17 -5.246 8.927 -1.788 1.00 0.00 C ATOM 262 C LYS A 17 -6.607 8.647 -1.158 1.00 0.00 C ATOM 263 O LYS A 17 -7.436 7.946 -1.734 1.00 0.00 O ATOM 264 CB LYS A 17 -5.416 9.821 -3.017 1.00 0.00 C ATOM 265 CG LYS A 17 -4.105 10.171 -3.701 1.00 0.00 C ATOM 266 CD LYS A 17 -4.334 11.000 -4.954 1.00 0.00 C ATOM 267 CE LYS A 17 -3.246 10.756 -5.989 1.00 0.00 C ATOM 268 NZ LYS A 17 -3.666 9.755 -7.008 1.00 0.00 N ATOM 0 H LYS A 17 -5.136 7.063 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.625 9.441 -1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.067 9.320 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.918 10.742 -2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.469 10.723 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.574 9.256 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.306 10.755 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.359 12.058 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.997 11.695 -6.483 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.341 10.409 -5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.898 9.616 -7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.879 8.851 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.515 10.097 -7.502 1.00 0.00 H new ATOM 282 N ASN A 18 -6.830 9.203 0.029 1.00 0.00 N ATOM 283 CA ASN A 18 -8.091 9.014 0.737 1.00 0.00 C ATOM 284 C ASN A 18 -8.842 10.335 0.871 1.00 0.00 C ATOM 285 O ASN A 18 -8.290 11.404 0.612 1.00 0.00 O ATOM 286 CB ASN A 18 -7.837 8.415 2.122 1.00 0.00 C ATOM 287 CG ASN A 18 -7.563 9.476 3.170 1.00 0.00 C ATOM 288 OD1 ASN A 18 -8.369 9.695 4.074 1.00 0.00 O ATOM 289 ND2 ASN A 18 -6.419 10.141 3.051 1.00 0.00 N ATOM 0 H ASN A 18 -6.154 9.788 0.520 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.705 8.325 0.158 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.702 7.825 2.424 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.989 7.733 2.070 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.179 10.867 3.726 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.781 9.925 2.285 1.00 0.00 H new ATOM 296 N ASP A 19 -10.103 10.252 1.279 1.00 0.00 N ATOM 297 CA ASP A 19 -10.932 11.442 1.450 1.00 0.00 C ATOM 298 C ASP A 19 -11.307 12.041 0.099 1.00 0.00 C ATOM 299 O ASP A 19 -12.463 11.983 -0.317 1.00 0.00 O ATOM 300 CB ASP A 19 -10.198 12.481 2.298 1.00 0.00 C ATOM 301 CG ASP A 19 -11.145 13.472 2.948 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.888 14.151 2.211 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.142 13.566 4.193 1.00 0.00 O ATOM 0 H ASP A 19 -10.575 9.374 1.498 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.848 11.148 1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.622 11.973 3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.487 13.020 1.672 1.00 0.00 H new ATOM 308 N ALA A 20 -10.321 12.619 -0.580 1.00 0.00 N ATOM 309 CA ALA A 20 -10.548 13.228 -1.885 1.00 0.00 C ATOM 310 C ALA A 20 -9.254 13.800 -2.456 1.00 0.00 C ATOM 311 O ALA A 20 -9.249 14.874 -3.053 1.00 0.00 O ATOM 312 CB ALA A 20 -11.607 14.317 -1.782 1.00 0.00 C ATOM 0 H ALA A 20 -9.358 12.678 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.903 12.453 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.767 14.763 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.541 13.884 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.273 15.085 -1.084 1.00 0.00 H new ATOM 318 N GLY A 21 -8.157 13.072 -2.268 1.00 0.00 N ATOM 319 CA GLY A 21 -6.873 13.522 -2.769 1.00 0.00 C ATOM 320 C GLY A 21 -5.836 13.659 -1.671 1.00 0.00 C ATOM 321 O GLY A 21 -4.738 14.166 -1.903 1.00 0.00 O ATOM 0 H GLY A 21 -8.136 12.178 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.512 12.818 -3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.998 14.483 -3.268 1.00 0.00 H new ATOM 325 N LYS A 22 -6.186 13.209 -0.471 1.00 0.00 N ATOM 326 CA LYS A 22 -5.279 13.283 0.668 1.00 0.00 C ATOM 327 C LYS A 22 -4.255 12.155 0.623 1.00 0.00 C ATOM 328 O LYS A 22 -4.586 10.993 0.863 1.00 0.00 O ATOM 329 CB LYS A 22 -6.068 13.219 1.978 1.00 0.00 C ATOM 330 CG LYS A 22 -6.016 14.506 2.784 1.00 0.00 C ATOM 331 CD LYS A 22 -4.954 14.444 3.869 1.00 0.00 C ATOM 332 CE LYS A 22 -5.565 14.150 5.230 1.00 0.00 C ATOM 333 NZ LYS A 22 -4.892 14.912 6.317 1.00 0.00 N ATOM 0 H LYS A 22 -7.092 12.789 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.747 14.233 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.108 12.982 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.679 12.403 2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.809 15.344 2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.990 14.692 3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.225 13.673 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.416 15.391 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.626 14.401 5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.493 13.082 5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.338 14.684 7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.885 14.654 6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.982 15.932 6.133 1.00 0.00 H new ATOM 347 N ASP A 23 -3.010 12.503 0.316 1.00 0.00 N ATOM 348 CA ASP A 23 -1.937 11.519 0.242 1.00 0.00 C ATOM 349 C ASP A 23 -1.814 10.748 1.553 1.00 0.00 C ATOM 350 O ASP A 23 -1.743 11.342 2.631 1.00 0.00 O ATOM 351 CB ASP A 23 -0.609 12.204 -0.086 1.00 0.00 C ATOM 352 CG ASP A 23 -0.177 13.177 0.993 1.00 0.00 C ATOM 353 OD1 ASP A 23 0.379 12.722 2.013 1.00 0.00 O ATOM 354 OD2 ASP A 23 -0.397 14.394 0.816 1.00 0.00 O ATOM 0 H ASP A 23 -2.719 13.460 0.114 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.180 10.814 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.164 11.447 -0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.702 12.735 -1.034 1.00 0.00 H new ATOM 359 N THR A 24 -1.793 9.423 1.456 1.00 0.00 N ATOM 360 CA THR A 24 -1.681 8.571 2.632 1.00 0.00 C ATOM 361 C THR A 24 -0.556 7.555 2.473 1.00 0.00 C ATOM 362 O THR A 24 -0.462 6.874 1.452 1.00 0.00 O ATOM 363 CB THR A 24 -2.998 7.821 2.910 1.00 0.00 C ATOM 364 OG1 THR A 24 -4.050 8.758 3.168 1.00 0.00 O ATOM 365 CG2 THR A 24 -2.847 6.882 4.097 1.00 0.00 C ATOM 0 H THR A 24 -1.852 8.916 0.573 1.00 0.00 H new ATOM 0 HA THR A 24 -1.458 9.226 3.474 1.00 0.00 H new ATOM 0 HB THR A 24 -3.246 7.229 2.029 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.704 8.356 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.790 6.364 4.273 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.066 6.152 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.577 7.456 4.983 1.00 0.00 H new ATOM 373 N PHE A 25 0.296 7.459 3.488 1.00 0.00 N ATOM 374 CA PHE A 25 1.417 6.526 3.459 1.00 0.00 C ATOM 375 C PHE A 25 1.444 5.670 4.722 1.00 0.00 C ATOM 376 O PHE A 25 1.583 6.186 5.831 1.00 0.00 O ATOM 377 CB PHE A 25 2.737 7.286 3.316 1.00 0.00 C ATOM 378 CG PHE A 25 2.795 8.165 2.099 1.00 0.00 C ATOM 379 CD1 PHE A 25 2.182 9.407 2.095 1.00 0.00 C ATOM 380 CD2 PHE A 25 3.462 7.746 0.958 1.00 0.00 C ATOM 381 CE1 PHE A 25 2.233 10.217 0.977 1.00 0.00 C ATOM 382 CE2 PHE A 25 3.516 8.553 -0.162 1.00 0.00 C ATOM 383 CZ PHE A 25 2.901 9.790 -0.154 1.00 0.00 C ATOM 0 H PHE A 25 0.232 8.015 4.341 1.00 0.00 H new ATOM 0 HA PHE A 25 1.289 5.869 2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.892 7.898 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.557 6.569 3.276 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.658 9.746 2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.944 6.780 0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.751 11.183 0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.040 8.216 -1.045 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.942 10.421 -1.029 1.00 0.00 H new ATOM 393 N ILE A 26 1.310 4.360 4.545 1.00 0.00 N ATOM 394 CA ILE A 26 1.320 3.433 5.668 1.00 0.00 C ATOM 395 C ILE A 26 1.946 2.099 5.276 1.00 0.00 C ATOM 396 O ILE A 26 1.362 1.325 4.517 1.00 0.00 O ATOM 397 CB ILE A 26 -0.103 3.180 6.202 1.00 0.00 C ATOM 398 CG1 ILE A 26 -0.083 2.086 7.271 1.00 0.00 C ATOM 399 CG2 ILE A 26 -1.037 2.799 5.064 1.00 0.00 C ATOM 400 CD1 ILE A 26 -1.391 1.948 8.019 1.00 0.00 C ATOM 0 H ILE A 26 1.193 3.917 3.634 1.00 0.00 H new ATOM 0 HA ILE A 26 1.918 3.896 6.453 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.473 4.099 6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.159 1.133 6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.713 2.300 7.984 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.038 2.624 5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.071 3.608 4.335 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.673 1.892 4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.304 1.154 8.761 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.625 2.888 8.519 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.188 1.703 7.317 1.00 0.00 H new ATOM 412 N LYS A 27 3.140 1.836 5.797 1.00 0.00 N ATOM 413 CA LYS A 27 3.847 0.595 5.505 1.00 0.00 C ATOM 414 C LYS A 27 2.949 -0.614 5.751 1.00 0.00 C ATOM 415 O LYS A 27 2.307 -0.719 6.796 1.00 0.00 O ATOM 416 CB LYS A 27 5.109 0.488 6.364 1.00 0.00 C ATOM 417 CG LYS A 27 4.885 0.849 7.822 1.00 0.00 C ATOM 418 CD LYS A 27 5.401 2.243 8.137 1.00 0.00 C ATOM 419 CE LYS A 27 4.503 2.958 9.134 1.00 0.00 C ATOM 420 NZ LYS A 27 3.962 4.229 8.581 1.00 0.00 N ATOM 0 H LYS A 27 3.639 2.467 6.424 1.00 0.00 H new ATOM 0 HA LYS A 27 4.131 0.607 4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.493 -0.531 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.876 1.142 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.821 0.793 8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.388 0.121 8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.412 2.176 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.462 2.826 7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.678 2.303 9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.066 3.168 10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.081 4.475 9.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.658 4.990 8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.768 4.111 7.566 1.00 0.00 H new ATOM 434 N CYS A 28 2.910 -1.523 4.783 1.00 0.00 N ATOM 435 CA CYS A 28 2.091 -2.724 4.895 1.00 0.00 C ATOM 436 C CYS A 28 2.714 -3.718 5.869 1.00 0.00 C ATOM 437 O CYS A 28 3.927 -3.747 6.074 1.00 0.00 O ATOM 438 CB CYS A 28 1.917 -3.378 3.523 1.00 0.00 C ATOM 439 SG CYS A 28 1.524 -2.214 2.195 1.00 0.00 S ATOM 0 H CYS A 28 3.436 -1.451 3.912 1.00 0.00 H new ATOM 0 HA CYS A 28 1.113 -2.432 5.277 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.834 -3.909 3.267 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.124 -4.123 3.585 1.00 0.00 H new ATOM 0 HG CYS A 28 1.398 -2.861 1.074 1.00 0.00 H new ATOM 445 N PRO A 29 1.865 -4.553 6.488 1.00 0.00 N ATOM 446 CA PRO A 29 2.310 -5.562 7.452 1.00 0.00 C ATOM 447 C PRO A 29 3.091 -6.692 6.791 1.00 0.00 C ATOM 448 O PRO A 29 2.655 -7.843 6.784 1.00 0.00 O ATOM 449 CB PRO A 29 0.999 -6.092 8.040 1.00 0.00 C ATOM 450 CG PRO A 29 -0.020 -5.840 6.983 1.00 0.00 C ATOM 451 CD PRO A 29 0.405 -4.574 6.291 1.00 0.00 C ATOM 0 HA PRO A 29 2.989 -5.144 8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.071 -7.154 8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.744 -5.577 8.966 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.067 -6.672 6.280 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.014 -5.733 7.417 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.142 -4.586 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.072 -3.697 6.728 1.00 0.00 H new ATOM 459 N LYS A 30 4.250 -6.356 6.234 1.00 0.00 N ATOM 460 CA LYS A 30 5.095 -7.342 5.570 1.00 0.00 C ATOM 461 C LYS A 30 6.571 -7.064 5.840 1.00 0.00 C ATOM 462 O LYS A 30 7.397 -7.104 4.928 1.00 0.00 O ATOM 463 CB LYS A 30 4.832 -7.337 4.063 1.00 0.00 C ATOM 464 CG LYS A 30 3.406 -7.708 3.694 1.00 0.00 C ATOM 465 CD LYS A 30 2.518 -6.479 3.596 1.00 0.00 C ATOM 466 CE LYS A 30 1.075 -6.856 3.292 1.00 0.00 C ATOM 467 NZ LYS A 30 0.572 -7.910 4.215 1.00 0.00 N ATOM 0 H LYS A 30 4.626 -5.408 6.229 1.00 0.00 H new ATOM 0 HA LYS A 30 4.849 -8.325 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.055 -6.346 3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.517 -8.035 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.402 -8.238 2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.002 -8.391 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.560 -5.923 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.895 -5.818 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.444 -5.971 3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.001 -7.208 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.435 -7.745 4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.689 -8.844 3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.110 -7.878 5.104 1.00 0.00 H new ATOM 481 N PHE A 31 6.894 -6.783 7.098 1.00 0.00 N ATOM 482 CA PHE A 31 8.271 -6.498 7.487 1.00 0.00 C ATOM 483 C PHE A 31 9.077 -7.788 7.618 1.00 0.00 C ATOM 484 O PHE A 31 8.739 -8.666 8.411 1.00 0.00 O ATOM 485 CB PHE A 31 8.301 -5.729 8.809 1.00 0.00 C ATOM 486 CG PHE A 31 7.318 -4.596 8.865 1.00 0.00 C ATOM 487 CD1 PHE A 31 7.664 -3.337 8.401 1.00 0.00 C ATOM 488 CD2 PHE A 31 6.046 -4.788 9.384 1.00 0.00 C ATOM 489 CE1 PHE A 31 6.761 -2.292 8.452 1.00 0.00 C ATOM 490 CE2 PHE A 31 5.139 -3.746 9.437 1.00 0.00 C ATOM 491 CZ PHE A 31 5.497 -2.497 8.969 1.00 0.00 C ATOM 0 H PHE A 31 6.222 -6.746 7.865 1.00 0.00 H new ATOM 0 HA PHE A 31 8.723 -5.885 6.707 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.094 -6.420 9.627 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.305 -5.337 8.969 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.651 -3.170 7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.761 -5.763 9.751 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.044 -1.315 8.088 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.152 -3.909 9.844 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.790 -1.682 9.007 1.00 0.00 H new ATOM 501 N ASP A 32 10.144 -7.893 6.832 1.00 0.00 N ATOM 502 CA ASP A 32 10.998 -9.074 6.859 1.00 0.00 C ATOM 503 C ASP A 32 10.234 -10.309 6.390 1.00 0.00 C ATOM 504 O ASP A 32 10.676 -11.439 6.596 1.00 0.00 O ATOM 505 CB ASP A 32 11.545 -9.302 8.269 1.00 0.00 C ATOM 506 CG ASP A 32 13.054 -9.444 8.288 1.00 0.00 C ATOM 507 OD1 ASP A 32 13.546 -10.583 8.136 1.00 0.00 O ATOM 508 OD2 ASP A 32 13.745 -8.418 8.455 1.00 0.00 O ATOM 0 H ASP A 32 10.437 -7.175 6.169 1.00 0.00 H new ATOM 0 HA ASP A 32 11.832 -8.905 6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.253 -8.469 8.908 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.093 -10.200 8.690 1.00 0.00 H new ATOM 513 N ASN A 33 9.086 -10.084 5.761 1.00 0.00 N ATOM 514 CA ASN A 33 8.259 -11.179 5.265 1.00 0.00 C ATOM 515 C ASN A 33 7.913 -10.976 3.793 1.00 0.00 C ATOM 516 O ASN A 33 7.842 -11.933 3.023 1.00 0.00 O ATOM 517 CB ASN A 33 6.976 -11.292 6.091 1.00 0.00 C ATOM 518 CG ASN A 33 7.011 -12.461 7.057 1.00 0.00 C ATOM 519 OD1 ASN A 33 6.819 -13.611 6.663 1.00 0.00 O ATOM 520 ND2 ASN A 33 7.258 -12.170 8.329 1.00 0.00 N ATOM 0 H ASN A 33 8.707 -9.154 5.582 1.00 0.00 H new ATOM 0 HA ASN A 33 8.828 -12.103 5.362 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.824 -10.368 6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.124 -11.404 5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.295 -12.915 9.025 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.411 -11.202 8.610 1.00 0.00 H new ATOM 527 N LYS A 34 7.700 -9.721 3.409 1.00 0.00 N ATOM 528 CA LYS A 34 7.364 -9.390 2.029 1.00 0.00 C ATOM 529 C LYS A 34 7.280 -7.879 1.838 1.00 0.00 C ATOM 530 O LYS A 34 6.217 -7.340 1.530 1.00 0.00 O ATOM 531 CB LYS A 34 6.035 -10.040 1.637 1.00 0.00 C ATOM 532 CG LYS A 34 5.911 -10.321 0.149 1.00 0.00 C ATOM 533 CD LYS A 34 5.097 -11.577 -0.115 1.00 0.00 C ATOM 534 CE LYS A 34 5.915 -12.834 0.135 1.00 0.00 C ATOM 535 NZ LYS A 34 5.133 -14.070 -0.147 1.00 0.00 N ATOM 0 H LYS A 34 7.754 -8.917 4.034 1.00 0.00 H new ATOM 0 HA LYS A 34 8.154 -9.776 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.922 -10.975 2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.217 -9.389 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.440 -9.471 -0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.905 -10.432 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.215 -11.582 0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.742 -11.572 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.807 -12.818 -0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.254 -12.847 1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.726 -14.905 0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.295 -14.099 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.831 -14.070 -1.142 1.00 0.00 H new ATOM 549 N LYS A 35 8.407 -7.200 2.020 1.00 0.00 N ATOM 550 CA LYS A 35 8.463 -5.752 1.864 1.00 0.00 C ATOM 551 C LYS A 35 8.504 -5.364 0.390 1.00 0.00 C ATOM 552 O LYS A 35 9.445 -4.712 -0.063 1.00 0.00 O ATOM 553 CB LYS A 35 9.689 -5.187 2.586 1.00 0.00 C ATOM 554 CG LYS A 35 9.492 -5.023 4.083 1.00 0.00 C ATOM 555 CD LYS A 35 10.375 -3.922 4.644 1.00 0.00 C ATOM 556 CE LYS A 35 9.791 -2.544 4.369 1.00 0.00 C ATOM 557 NZ LYS A 35 10.537 -1.472 5.085 1.00 0.00 N ATOM 0 H LYS A 35 9.296 -7.630 2.276 1.00 0.00 H new ATOM 0 HA LYS A 35 7.561 -5.329 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.539 -5.846 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.941 -4.219 2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.447 -4.794 4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.718 -5.963 4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.493 -4.061 5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.369 -3.991 4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.813 -2.348 3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.745 -2.525 4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.108 -0.549 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.495 -1.645 6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.529 -1.473 4.774 1.00 0.00 H new ATOM 571 N CYS A 36 7.479 -5.768 -0.352 1.00 0.00 N ATOM 572 CA CYS A 36 7.398 -5.461 -1.776 1.00 0.00 C ATOM 573 C CYS A 36 8.533 -6.133 -2.541 1.00 0.00 C ATOM 574 O CYS A 36 9.598 -6.405 -1.985 1.00 0.00 O ATOM 575 CB CYS A 36 7.442 -3.949 -1.996 1.00 0.00 C ATOM 576 SG CYS A 36 7.016 -3.435 -3.676 1.00 0.00 S ATOM 0 H CYS A 36 6.693 -6.309 0.008 1.00 0.00 H new ATOM 0 HA CYS A 36 6.451 -5.847 -2.154 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.757 -3.471 -1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.443 -3.587 -1.760 1.00 0.00 H new ATOM 0 HG CYS A 36 5.756 -3.118 -3.726 1.00 0.00 H new ATOM 582 N THR A 37 8.300 -6.399 -3.822 1.00 0.00 N ATOM 583 CA THR A 37 9.300 -7.042 -4.666 1.00 0.00 C ATOM 584 C THR A 37 9.180 -6.579 -6.112 1.00 0.00 C ATOM 585 O THR A 37 9.334 -7.371 -7.043 1.00 0.00 O ATOM 586 CB THR A 37 9.175 -8.576 -4.617 1.00 0.00 C ATOM 587 OG1 THR A 37 7.816 -8.964 -4.849 1.00 0.00 O ATOM 588 CG2 THR A 37 9.638 -9.114 -3.271 1.00 0.00 C ATOM 0 H THR A 37 7.426 -6.179 -4.299 1.00 0.00 H new ATOM 0 HA THR A 37 10.275 -6.752 -4.275 1.00 0.00 H new ATOM 0 HB THR A 37 9.811 -8.996 -5.397 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.745 -9.941 -4.818 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.540 -10.200 -3.260 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.681 -8.842 -3.110 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.025 -8.687 -2.478 1.00 0.00 H new ATOM 596 N LYS A 38 8.903 -5.293 -6.297 1.00 0.00 N ATOM 597 CA LYS A 38 8.764 -4.722 -7.631 1.00 0.00 C ATOM 598 C LYS A 38 8.398 -3.244 -7.556 1.00 0.00 C ATOM 599 O LYS A 38 7.469 -2.860 -6.845 1.00 0.00 O ATOM 600 CB LYS A 38 7.698 -5.482 -8.424 1.00 0.00 C ATOM 601 CG LYS A 38 8.164 -5.925 -9.800 1.00 0.00 C ATOM 602 CD LYS A 38 7.017 -5.949 -10.797 1.00 0.00 C ATOM 603 CE LYS A 38 7.002 -7.240 -11.599 1.00 0.00 C ATOM 604 NZ LYS A 38 6.462 -8.380 -10.806 1.00 0.00 N ATOM 0 H LYS A 38 8.770 -4.625 -5.538 1.00 0.00 H new ATOM 0 HA LYS A 38 9.723 -4.815 -8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.390 -6.359 -7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.818 -4.848 -8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.943 -5.250 -10.156 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.609 -6.918 -9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.071 -5.838 -10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.105 -5.100 -11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.398 -7.103 -12.496 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.014 -7.474 -11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.468 -9.242 -11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.053 -8.527 -9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.487 -8.168 -10.513 1.00 0.00 H new ATOM 618 N ASP A 39 9.133 -2.419 -8.294 1.00 0.00 N ATOM 619 CA ASP A 39 8.884 -0.983 -8.313 1.00 0.00 C ATOM 620 C ASP A 39 7.409 -0.690 -8.573 1.00 0.00 C ATOM 621 O ASP A 39 6.849 -1.123 -9.578 1.00 0.00 O ATOM 622 CB ASP A 39 9.747 -0.307 -9.380 1.00 0.00 C ATOM 623 CG ASP A 39 9.088 0.928 -9.961 1.00 0.00 C ATOM 624 OD1 ASP A 39 9.204 2.007 -9.343 1.00 0.00 O ATOM 625 OD2 ASP A 39 8.455 0.816 -11.032 1.00 0.00 O ATOM 0 H ASP A 39 9.906 -2.721 -8.887 1.00 0.00 H new ATOM 0 HA ASP A 39 9.149 -0.581 -7.335 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.708 -0.032 -8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.951 -1.017 -10.181 1.00 0.00 H new ATOM 630 N ASN A 40 6.787 0.047 -7.658 1.00 0.00 N ATOM 631 CA ASN A 40 5.377 0.396 -7.788 1.00 0.00 C ATOM 632 C ASN A 40 4.535 -0.842 -8.078 1.00 0.00 C ATOM 633 O ASN A 40 3.765 -0.872 -9.037 1.00 0.00 O ATOM 634 CB ASN A 40 5.186 1.428 -8.901 1.00 0.00 C ATOM 635 CG ASN A 40 6.381 2.351 -9.045 1.00 0.00 C ATOM 636 OD1 ASN A 40 6.846 2.613 -10.155 1.00 0.00 O ATOM 637 ND2 ASN A 40 6.885 2.847 -7.922 1.00 0.00 N ATOM 0 H ASN A 40 7.237 0.414 -6.819 1.00 0.00 H new ATOM 0 HA ASN A 40 5.046 0.826 -6.842 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.013 0.912 -9.845 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.295 2.021 -8.694 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.690 3.473 -7.957 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.467 2.603 -7.024 1.00 0.00 H new ATOM 644 N ASN A 41 4.686 -1.864 -7.240 1.00 0.00 N ATOM 645 CA ASN A 41 3.939 -3.105 -7.406 1.00 0.00 C ATOM 646 C ASN A 41 2.436 -2.851 -7.329 1.00 0.00 C ATOM 647 O ASN A 41 1.989 -1.704 -7.338 1.00 0.00 O ATOM 648 CB ASN A 41 4.352 -4.120 -6.337 1.00 0.00 C ATOM 649 CG ASN A 41 4.816 -5.433 -6.936 1.00 0.00 C ATOM 650 OD1 ASN A 41 4.461 -5.774 -8.064 1.00 0.00 O ATOM 651 ND2 ASN A 41 5.614 -6.178 -6.180 1.00 0.00 N ATOM 0 H ASN A 41 5.319 -1.856 -6.440 1.00 0.00 H new ATOM 0 HA ASN A 41 4.170 -3.510 -8.391 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.152 -3.698 -5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.509 -4.305 -5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.958 -7.073 -6.529 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.883 -5.856 -5.250 1.00 0.00 H new ATOM 658 N LYS A 42 1.663 -3.928 -7.251 1.00 0.00 N ATOM 659 CA LYS A 42 0.211 -3.824 -7.169 1.00 0.00 C ATOM 660 C LYS A 42 -0.273 -4.070 -5.744 1.00 0.00 C ATOM 661 O LYS A 42 -0.196 -5.190 -5.237 1.00 0.00 O ATOM 662 CB LYS A 42 -0.447 -4.824 -8.123 1.00 0.00 C ATOM 663 CG LYS A 42 -1.519 -4.208 -9.004 1.00 0.00 C ATOM 664 CD LYS A 42 -1.510 -4.812 -10.399 1.00 0.00 C ATOM 665 CE LYS A 42 -2.692 -4.328 -11.224 1.00 0.00 C ATOM 666 NZ LYS A 42 -2.427 -4.432 -12.686 1.00 0.00 N ATOM 0 H LYS A 42 2.018 -4.884 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.073 -2.813 -7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.321 -5.269 -8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.888 -5.633 -7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.497 -4.359 -8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.361 -3.132 -9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.581 -4.549 -10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.537 -5.899 -10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.575 -4.915 -10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.914 -3.292 -10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.256 -4.093 -13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.599 -3.852 -12.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.240 -5.424 -12.935 1.00 0.00 H new ATOM 680 N CYS A 43 -0.772 -3.019 -5.104 1.00 0.00 N ATOM 681 CA CYS A 43 -1.269 -3.122 -3.737 1.00 0.00 C ATOM 682 C CYS A 43 -2.746 -2.746 -3.665 1.00 0.00 C ATOM 683 O CYS A 43 -3.409 -2.589 -4.691 1.00 0.00 O ATOM 684 CB CYS A 43 -0.457 -2.221 -2.807 1.00 0.00 C ATOM 685 SG CYS A 43 -0.807 -0.457 -2.995 1.00 0.00 S ATOM 0 H CYS A 43 -0.843 -2.086 -5.510 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.159 -4.158 -3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.654 -2.511 -1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.604 -2.391 -2.989 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.073 0.222 -2.165 1.00 0.00 H new ATOM 691 N THR A 44 -3.257 -2.603 -2.446 1.00 0.00 N ATOM 692 CA THR A 44 -4.656 -2.249 -2.241 1.00 0.00 C ATOM 693 C THR A 44 -4.924 -1.892 -0.784 1.00 0.00 C ATOM 694 O THR A 44 -4.174 -2.284 0.110 1.00 0.00 O ATOM 695 CB THR A 44 -5.594 -3.398 -2.657 1.00 0.00 C ATOM 696 OG1 THR A 44 -4.831 -4.581 -2.923 1.00 0.00 O ATOM 697 CG2 THR A 44 -6.399 -3.021 -3.891 1.00 0.00 C ATOM 0 H THR A 44 -2.723 -2.727 -1.586 1.00 0.00 H new ATOM 0 HA THR A 44 -4.857 -1.381 -2.869 1.00 0.00 H new ATOM 0 HB THR A 44 -6.285 -3.588 -1.836 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.434 -5.307 -3.185 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.054 -3.848 -4.165 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.001 -2.138 -3.677 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.720 -2.806 -4.717 1.00 0.00 H new ATOM 705 N VAL A 45 -6.000 -1.146 -0.550 1.00 0.00 N ATOM 706 CA VAL A 45 -6.368 -0.737 0.799 1.00 0.00 C ATOM 707 C VAL A 45 -7.877 -0.562 0.928 1.00 0.00 C ATOM 708 O VAL A 45 -8.436 0.440 0.483 1.00 0.00 O ATOM 709 CB VAL A 45 -5.674 0.579 1.197 1.00 0.00 C ATOM 710 CG1 VAL A 45 -6.123 1.024 2.580 1.00 0.00 C ATOM 711 CG2 VAL A 45 -4.161 0.420 1.143 1.00 0.00 C ATOM 0 H VAL A 45 -6.632 -0.813 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.038 -1.530 1.470 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.961 1.351 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.622 1.955 2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.202 1.180 2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.868 0.256 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.686 1.359 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.853 -0.366 1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.859 0.153 0.130 1.00 0.00 H new ATOM 721 N ASP A 46 -8.530 -1.542 1.542 1.00 0.00 N ATOM 722 CA ASP A 46 -9.976 -1.497 1.731 1.00 0.00 C ATOM 723 C ASP A 46 -10.332 -0.745 3.009 1.00 0.00 C ATOM 724 O ASP A 46 -9.649 -0.867 4.027 1.00 0.00 O ATOM 725 CB ASP A 46 -10.550 -2.913 1.781 1.00 0.00 C ATOM 726 CG ASP A 46 -11.817 -2.995 2.610 1.00 0.00 C ATOM 727 OD1 ASP A 46 -11.709 -3.096 3.849 1.00 0.00 O ATOM 728 OD2 ASP A 46 -12.916 -2.960 2.018 1.00 0.00 O ATOM 0 H ASP A 46 -8.082 -2.378 1.918 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.413 -0.967 0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.760 -3.253 0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.803 -3.590 2.196 1.00 0.00 H new ATOM 733 N THR A 47 -11.407 0.036 2.949 1.00 0.00 N ATOM 734 CA THR A 47 -11.854 0.810 4.101 1.00 0.00 C ATOM 735 C THR A 47 -12.816 0.005 4.965 1.00 0.00 C ATOM 736 O THR A 47 -13.003 0.301 6.146 1.00 0.00 O ATOM 737 CB THR A 47 -12.543 2.117 3.666 1.00 0.00 C ATOM 738 OG1 THR A 47 -12.853 2.065 2.269 1.00 0.00 O ATOM 739 CG2 THR A 47 -11.653 3.319 3.948 1.00 0.00 C ATOM 0 H THR A 47 -11.984 0.149 2.115 1.00 0.00 H new ATOM 0 HA THR A 47 -10.965 1.053 4.683 1.00 0.00 H new ATOM 0 HB THR A 47 -13.464 2.224 4.239 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.292 2.899 2.000 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.161 4.230 3.632 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.442 3.373 5.016 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.718 3.216 3.398 1.00 0.00 H new ATOM 747 N TYR A 48 -13.427 -1.015 4.371 1.00 0.00 N ATOM 748 CA TYR A 48 -14.372 -1.862 5.086 1.00 0.00 C ATOM 749 C TYR A 48 -13.804 -2.296 6.434 1.00 0.00 C ATOM 750 O TYR A 48 -14.481 -2.222 7.459 1.00 0.00 O ATOM 751 CB TYR A 48 -14.723 -3.092 4.247 1.00 0.00 C ATOM 752 CG TYR A 48 -15.874 -3.898 4.806 1.00 0.00 C ATOM 753 CD1 TYR A 48 -15.722 -4.655 5.962 1.00 0.00 C ATOM 754 CD2 TYR A 48 -17.113 -3.903 4.178 1.00 0.00 C ATOM 755 CE1 TYR A 48 -16.771 -5.392 6.475 1.00 0.00 C ATOM 756 CE2 TYR A 48 -18.168 -4.637 4.686 1.00 0.00 C ATOM 757 CZ TYR A 48 -17.992 -5.380 5.833 1.00 0.00 C ATOM 758 OH TYR A 48 -19.040 -6.114 6.341 1.00 0.00 O ATOM 0 H TYR A 48 -13.284 -1.274 3.395 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.277 -1.282 5.264 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.972 -2.772 3.235 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -13.844 -3.733 4.172 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.768 -4.667 6.467 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -17.254 -3.324 3.278 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.636 -5.975 7.374 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -19.126 -4.628 4.187 1.00 0.00 H new ATOM 0 HH TYR A 48 -19.829 -5.996 5.771 1.00 0.00 H new ATOM 768 N ASN A 49 -12.554 -2.749 6.423 1.00 0.00 N ATOM 769 CA ASN A 49 -11.892 -3.195 7.644 1.00 0.00 C ATOM 770 C ASN A 49 -10.380 -3.028 7.534 1.00 0.00 C ATOM 771 O ASN A 49 -9.616 -3.867 8.012 1.00 0.00 O ATOM 772 CB ASN A 49 -12.236 -4.659 7.929 1.00 0.00 C ATOM 773 CG ASN A 49 -11.775 -5.102 9.303 1.00 0.00 C ATOM 774 OD1 ASN A 49 -12.280 -4.630 10.322 1.00 0.00 O ATOM 775 ND2 ASN A 49 -10.812 -6.016 9.338 1.00 0.00 N ATOM 0 H ASN A 49 -11.980 -2.817 5.583 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.249 -2.578 8.469 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.314 -4.799 7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.774 -5.292 7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.462 -6.354 10.234 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.422 -6.380 8.468 1.00 0.00 H new ATOM 782 N ASN A 50 -9.953 -1.939 6.903 1.00 0.00 N ATOM 783 CA ASN A 50 -8.533 -1.661 6.732 1.00 0.00 C ATOM 784 C ASN A 50 -7.793 -2.900 6.234 1.00 0.00 C ATOM 785 O ASN A 50 -6.988 -3.486 6.956 1.00 0.00 O ATOM 786 CB ASN A 50 -7.921 -1.185 8.050 1.00 0.00 C ATOM 787 CG ASN A 50 -6.726 -0.275 7.839 1.00 0.00 C ATOM 788 OD1 ASN A 50 -5.652 -0.504 8.397 1.00 0.00 O ATOM 789 ND2 ASN A 50 -6.908 0.762 7.030 1.00 0.00 N ATOM 0 H ASN A 50 -10.572 -1.234 6.501 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.431 -0.872 5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.678 -0.657 8.629 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.616 -2.050 8.639 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.140 1.409 6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.816 0.912 6.590 1.00 0.00 H new ATOM 796 N ALA A 51 -8.072 -3.290 4.994 1.00 0.00 N ATOM 797 CA ALA A 51 -7.432 -4.456 4.399 1.00 0.00 C ATOM 798 C ALA A 51 -6.274 -4.045 3.495 1.00 0.00 C ATOM 799 O ALA A 51 -6.482 -3.581 2.375 1.00 0.00 O ATOM 800 CB ALA A 51 -8.449 -5.275 3.617 1.00 0.00 C ATOM 0 H ALA A 51 -8.737 -2.815 4.383 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.030 -5.070 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.957 -6.143 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.241 -5.608 4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.878 -4.662 2.825 1.00 0.00 H new ATOM 806 N VAL A 52 -5.052 -4.218 3.991 1.00 0.00 N ATOM 807 CA VAL A 52 -3.861 -3.865 3.229 1.00 0.00 C ATOM 808 C VAL A 52 -3.269 -5.088 2.538 1.00 0.00 C ATOM 809 O VAL A 52 -3.071 -6.131 3.161 1.00 0.00 O ATOM 810 CB VAL A 52 -2.786 -3.228 4.129 1.00 0.00 C ATOM 811 CG1 VAL A 52 -1.648 -2.669 3.288 1.00 0.00 C ATOM 812 CG2 VAL A 52 -3.399 -2.142 5.002 1.00 0.00 C ATOM 0 H VAL A 52 -4.862 -4.601 4.917 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.171 -3.139 2.477 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.378 -4.000 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.898 -2.223 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.193 -3.474 2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.036 -1.909 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.626 -1.702 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.835 -1.369 4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.176 -2.576 5.631 1.00 0.00 H new ATOM 822 N ASP A 53 -2.988 -4.954 1.246 1.00 0.00 N ATOM 823 CA ASP A 53 -2.417 -6.047 0.469 1.00 0.00 C ATOM 824 C ASP A 53 -1.207 -5.573 -0.329 1.00 0.00 C ATOM 825 O ASP A 53 -0.968 -4.371 -0.458 1.00 0.00 O ATOM 826 CB ASP A 53 -3.468 -6.634 -0.474 1.00 0.00 C ATOM 827 CG ASP A 53 -4.492 -7.481 0.256 1.00 0.00 C ATOM 828 OD1 ASP A 53 -4.143 -8.065 1.303 1.00 0.00 O ATOM 829 OD2 ASP A 53 -5.643 -7.559 -0.221 1.00 0.00 O ATOM 0 H ASP A 53 -3.147 -4.098 0.715 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.090 -6.821 1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.977 -5.824 -0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.973 -7.241 -1.232 1.00 0.00 H new ATOM 834 N CYS A 54 -0.446 -6.523 -0.862 1.00 0.00 N ATOM 835 CA CYS A 54 0.741 -6.202 -1.646 1.00 0.00 C ATOM 836 C CYS A 54 1.026 -7.294 -2.672 1.00 0.00 C ATOM 837 O CYS A 54 0.479 -8.393 -2.591 1.00 0.00 O ATOM 838 CB CYS A 54 1.951 -6.018 -0.727 1.00 0.00 C ATOM 839 SG CYS A 54 2.581 -7.559 -0.021 1.00 0.00 S ATOM 0 H CYS A 54 -0.630 -7.522 -0.765 1.00 0.00 H new ATOM 0 HA CYS A 54 0.554 -5.269 -2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.750 -5.534 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.678 -5.343 0.085 1.00 0.00 H new ATOM 0 HG CYS A 54 3.604 -7.302 0.739 1.00 0.00 H new ATOM 845 N ASP A 55 1.886 -6.983 -3.636 1.00 0.00 N ATOM 846 CA ASP A 55 2.244 -7.938 -4.679 1.00 0.00 C ATOM 847 C ASP A 55 3.663 -8.458 -4.474 1.00 0.00 C ATOM 848 O ASP A 55 3.977 -9.593 -4.836 1.00 0.00 O ATOM 849 CB ASP A 55 2.118 -7.290 -6.058 1.00 0.00 C ATOM 850 CG ASP A 55 1.247 -8.097 -7.000 1.00 0.00 C ATOM 851 OD1 ASP A 55 1.151 -9.328 -6.811 1.00 0.00 O ATOM 852 OD2 ASP A 55 0.659 -7.498 -7.924 1.00 0.00 O ATOM 0 H ASP A 55 2.348 -6.077 -3.717 1.00 0.00 H new ATOM 0 HA ASP A 55 1.555 -8.781 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.700 -6.289 -5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.110 -7.175 -6.494 1.00 0.00 H new TER 857 ASP A 55