USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 469 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 Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -176:sc= -0.0226 (180deg=-0.0265) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -155:sc= -0.0305 (180deg=-0.983!) USER MOD Single : A 9 THR OG1 : rot 121:sc= 0.0689 USER MOD Single : A 12 LYS NZ :NH3+ -147:sc= -0.224 (180deg=-1.67!) USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= 0.012 (180deg=0.00944) USER MOD Single : A 14 THR OG1 : rot -16:sc= 1.07 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 21 ASN : amide:sc= -1.02 K(o=-1,f=-8.8!) USER MOD Single : A 25 ASN : amide:sc= -2.05! C(o=-2!,f=-13!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0239 X(o=-0.024,f=-0.31) USER MOD Single : A 36 SER OG : rot 170:sc= -0.0887 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 54:sc= 0.0233 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 130:sc= -0.984 USER MOD Single : A 53 SER OG : rot 180:sc= 0.165 USER MOD Single : A 54 THR OG1 : rot -50:sc= -1.29 USER MOD Single : A 55 GLN : amide:sc= -0.993 K(o=-0.99,f=-0.11) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0636 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.805 7.725 9.127 1.00 0.00 N ATOM 2 CA LYS A 1 4.335 7.478 9.094 1.00 0.00 C ATOM 3 C LYS A 1 4.035 6.170 8.358 1.00 0.00 C ATOM 4 O LYS A 1 4.604 5.884 7.323 1.00 0.00 O ATOM 5 CB LYS A 1 3.750 8.667 8.331 1.00 0.00 C ATOM 6 CG LYS A 1 2.425 9.083 8.971 1.00 0.00 C ATOM 7 CD LYS A 1 1.292 8.913 7.956 1.00 0.00 C ATOM 8 CE LYS A 1 1.591 9.754 6.712 1.00 0.00 C ATOM 9 NZ LYS A 1 0.939 11.069 6.966 1.00 0.00 N ATOM 0 H1 LYS A 1 5.996 8.615 9.629 1.00 0.00 H new ATOM 0 H2 LYS A 1 6.278 6.941 9.620 1.00 0.00 H new ATOM 0 H3 LYS A 1 6.168 7.791 8.155 1.00 0.00 H new ATOM 0 HA LYS A 1 3.910 7.385 10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.451 9.502 8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.593 8.400 7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 1 2.230 8.476 9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 1 2.479 10.120 9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 1 1.189 7.863 7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.344 9.222 8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 1 2.665 9.869 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 1 1.193 9.284 5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 1.043 11.676 6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -0.071 10.923 7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 1.390 11.528 7.783 1.00 0.00 H new ATOM 25 N ASP A 2 3.143 5.375 8.882 1.00 0.00 N ATOM 26 CA ASP A 2 2.806 4.085 8.209 1.00 0.00 C ATOM 27 C ASP A 2 1.391 4.161 7.630 1.00 0.00 C ATOM 28 O ASP A 2 0.539 4.858 8.144 1.00 0.00 O ATOM 29 CB ASP A 2 2.876 2.991 9.292 1.00 0.00 C ATOM 30 CG ASP A 2 3.634 3.490 10.530 1.00 0.00 C ATOM 31 OD1 ASP A 2 4.853 3.512 10.486 1.00 0.00 O ATOM 32 OD2 ASP A 2 2.979 3.844 11.497 1.00 0.00 O ATOM 0 H ASP A 2 2.633 5.561 9.745 1.00 0.00 H new ATOM 0 HA ASP A 2 3.495 3.871 7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.867 2.690 9.576 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.371 2.107 8.890 1.00 0.00 H new ATOM 37 N GLY A 3 1.132 3.452 6.567 1.00 0.00 N ATOM 38 CA GLY A 3 -0.230 3.493 5.964 1.00 0.00 C ATOM 39 C GLY A 3 -0.397 2.322 4.996 1.00 0.00 C ATOM 40 O GLY A 3 0.487 1.503 4.838 1.00 0.00 O ATOM 0 H GLY A 3 1.802 2.848 6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -0.987 3.442 6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.378 4.436 5.439 1.00 0.00 H new ATOM 44 N TYR A 4 -1.524 2.234 4.347 1.00 0.00 N ATOM 45 CA TYR A 4 -1.747 1.114 3.389 1.00 0.00 C ATOM 46 C TYR A 4 -1.837 1.651 1.959 1.00 0.00 C ATOM 47 O TYR A 4 -2.234 2.777 1.733 1.00 0.00 O ATOM 48 CB TYR A 4 -3.080 0.493 3.813 1.00 0.00 C ATOM 49 CG TYR A 4 -2.821 -0.706 4.693 1.00 0.00 C ATOM 50 CD1 TYR A 4 -2.451 -1.929 4.119 1.00 0.00 C ATOM 51 CD2 TYR A 4 -2.948 -0.596 6.083 1.00 0.00 C ATOM 52 CE1 TYR A 4 -2.209 -3.041 4.935 1.00 0.00 C ATOM 53 CE2 TYR A 4 -2.707 -1.708 6.899 1.00 0.00 C ATOM 54 CZ TYR A 4 -2.336 -2.930 6.325 1.00 0.00 C ATOM 55 OH TYR A 4 -2.096 -4.026 7.129 1.00 0.00 O ATOM 0 H TYR A 4 -2.301 2.889 4.438 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.934 0.388 3.404 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -3.681 1.227 4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.650 0.195 2.933 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.352 -2.014 3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.232 0.347 6.526 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.924 -3.984 4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.807 -1.623 7.971 1.00 0.00 H new ATOM 0 HH TYR A 4 -2.227 -3.778 8.068 1.00 0.00 H new ATOM 65 N LEU A 5 -1.475 0.856 0.990 1.00 0.00 N ATOM 66 CA LEU A 5 -1.548 1.326 -0.422 1.00 0.00 C ATOM 67 C LEU A 5 -2.921 0.985 -1.011 1.00 0.00 C ATOM 68 O LEU A 5 -3.699 0.269 -0.413 1.00 0.00 O ATOM 69 CB LEU A 5 -0.439 0.568 -1.152 1.00 0.00 C ATOM 70 CG LEU A 5 0.908 0.878 -0.492 1.00 0.00 C ATOM 71 CD1 LEU A 5 1.750 -0.398 -0.423 1.00 0.00 C ATOM 72 CD2 LEU A 5 1.650 1.935 -1.315 1.00 0.00 C ATOM 0 H LEU A 5 -1.133 -0.097 1.114 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.421 2.405 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.634 -0.504 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.417 0.857 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 5 0.738 1.256 0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.708 -0.177 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.223 -1.150 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.919 -0.777 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.608 2.155 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.819 1.558 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.052 2.845 -1.363 1.00 0.00 H new ATOM 84 N VAL A 6 -3.231 1.495 -2.172 1.00 0.00 N ATOM 85 CA VAL A 6 -4.563 1.196 -2.778 1.00 0.00 C ATOM 86 C VAL A 6 -4.413 0.728 -4.226 1.00 0.00 C ATOM 87 O VAL A 6 -3.325 0.646 -4.759 1.00 0.00 O ATOM 88 CB VAL A 6 -5.322 2.522 -2.741 1.00 0.00 C ATOM 89 CG1 VAL A 6 -5.338 3.062 -1.313 1.00 0.00 C ATOM 90 CG2 VAL A 6 -4.632 3.534 -3.662 1.00 0.00 C ATOM 0 H VAL A 6 -2.625 2.102 -2.725 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.078 0.401 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.346 2.362 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.879 4.008 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.831 2.344 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.315 3.221 -0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.174 4.479 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.608 3.693 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.623 3.150 -4.682 1.00 0.00 H new ATOM 100 N GLU A 7 -5.511 0.444 -4.868 1.00 0.00 N ATOM 101 CA GLU A 7 -5.458 0.005 -6.291 1.00 0.00 C ATOM 102 C GLU A 7 -5.768 1.201 -7.193 1.00 0.00 C ATOM 103 O GLU A 7 -6.006 2.294 -6.719 1.00 0.00 O ATOM 104 CB GLU A 7 -6.541 -1.069 -6.423 1.00 0.00 C ATOM 105 CG GLU A 7 -6.343 -1.844 -7.727 1.00 0.00 C ATOM 106 CD GLU A 7 -7.415 -1.428 -8.737 1.00 0.00 C ATOM 107 OE1 GLU A 7 -7.855 -0.293 -8.669 1.00 0.00 O ATOM 108 OE2 GLU A 7 -7.775 -2.251 -9.562 1.00 0.00 O ATOM 0 H GLU A 7 -6.447 0.497 -4.467 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.481 -0.382 -6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.496 -1.750 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.528 -0.607 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.351 -1.647 -8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.403 -2.916 -7.538 1.00 0.00 H new ATOM 115 N LYS A 8 -5.770 1.017 -8.484 1.00 0.00 N ATOM 116 CA LYS A 8 -6.069 2.167 -9.385 1.00 0.00 C ATOM 117 C LYS A 8 -7.334 2.888 -8.909 1.00 0.00 C ATOM 118 O LYS A 8 -7.341 4.088 -8.716 1.00 0.00 O ATOM 119 CB LYS A 8 -6.288 1.554 -10.769 1.00 0.00 C ATOM 120 CG LYS A 8 -5.803 2.535 -11.838 1.00 0.00 C ATOM 121 CD LYS A 8 -7.003 3.269 -12.441 1.00 0.00 C ATOM 122 CE LYS A 8 -6.616 3.845 -13.805 1.00 0.00 C ATOM 123 NZ LYS A 8 -5.337 4.571 -13.568 1.00 0.00 N ATOM 0 H LYS A 8 -5.580 0.130 -8.951 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.264 2.902 -9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.747 0.611 -10.852 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.344 1.330 -10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.108 3.251 -11.400 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.261 2.000 -12.618 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.845 2.585 -12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.326 4.069 -11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.490 3.055 -14.546 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.387 4.517 -14.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.223 5.316 -14.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.352 5.001 -12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.542 3.904 -13.633 1.00 0.00 H new ATOM 137 N THR A 9 -8.402 2.165 -8.717 1.00 0.00 N ATOM 138 CA THR A 9 -9.666 2.807 -8.253 1.00 0.00 C ATOM 139 C THR A 9 -9.573 3.149 -6.763 1.00 0.00 C ATOM 140 O THR A 9 -10.370 3.902 -6.239 1.00 0.00 O ATOM 141 CB THR A 9 -10.753 1.759 -8.495 1.00 0.00 C ATOM 142 OG1 THR A 9 -10.208 0.461 -8.301 1.00 0.00 O ATOM 143 CG2 THR A 9 -11.278 1.887 -9.926 1.00 0.00 C ATOM 0 H THR A 9 -8.455 1.157 -8.861 1.00 0.00 H new ATOM 0 HA THR A 9 -9.872 3.739 -8.779 1.00 0.00 H new ATOM 0 HB THR A 9 -11.574 1.917 -7.795 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.700 0.003 -7.588 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.053 1.140 -10.098 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.696 2.883 -10.073 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.460 1.730 -10.629 1.00 0.00 H new ATOM 151 N GLY A 10 -8.608 2.601 -6.075 1.00 0.00 N ATOM 152 CA GLY A 10 -8.470 2.897 -4.619 1.00 0.00 C ATOM 153 C GLY A 10 -8.844 1.657 -3.807 1.00 0.00 C ATOM 154 O GLY A 10 -9.094 1.731 -2.621 1.00 0.00 O ATOM 0 H GLY A 10 -7.910 1.962 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.447 3.197 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.114 3.732 -4.344 1.00 0.00 H new ATOM 158 N CYS A 11 -8.885 0.517 -4.437 1.00 0.00 N ATOM 159 CA CYS A 11 -9.245 -0.728 -3.701 1.00 0.00 C ATOM 160 C CYS A 11 -7.999 -1.319 -3.036 1.00 0.00 C ATOM 161 O CYS A 11 -6.925 -1.318 -3.603 1.00 0.00 O ATOM 162 CB CYS A 11 -9.781 -1.690 -4.767 1.00 0.00 C ATOM 163 SG CYS A 11 -10.866 -0.804 -5.918 1.00 0.00 S ATOM 0 H CYS A 11 -8.685 0.393 -5.429 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.978 -0.543 -2.916 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.951 -2.141 -5.311 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -10.329 -2.503 -4.291 1.00 0.00 H new ATOM 168 N LYS A 12 -8.127 -1.829 -1.842 1.00 0.00 N ATOM 169 CA LYS A 12 -6.940 -2.420 -1.166 1.00 0.00 C ATOM 170 C LYS A 12 -6.317 -3.487 -2.064 1.00 0.00 C ATOM 171 O LYS A 12 -6.656 -3.610 -3.224 1.00 0.00 O ATOM 172 CB LYS A 12 -7.475 -3.044 0.122 1.00 0.00 C ATOM 173 CG LYS A 12 -8.652 -3.964 -0.202 1.00 0.00 C ATOM 174 CD LYS A 12 -8.157 -5.409 -0.290 1.00 0.00 C ATOM 175 CE LYS A 12 -8.840 -6.111 -1.466 1.00 0.00 C ATOM 176 NZ LYS A 12 -10.284 -5.778 -1.323 1.00 0.00 N ATOM 0 H LYS A 12 -8.996 -1.862 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.168 -1.679 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.686 -3.608 0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.791 -2.262 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.419 -3.877 0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.111 -3.667 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.075 -5.427 -0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.375 -5.937 0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.446 -5.759 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.677 -7.188 -1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.859 -6.575 -1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.501 -5.597 -0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.502 -4.930 -1.884 1.00 0.00 H new ATOM 190 N LYS A 13 -5.408 -4.257 -1.543 1.00 0.00 N ATOM 191 CA LYS A 13 -4.768 -5.310 -2.382 1.00 0.00 C ATOM 192 C LYS A 13 -4.136 -6.392 -1.505 1.00 0.00 C ATOM 193 O LYS A 13 -2.930 -6.481 -1.388 1.00 0.00 O ATOM 194 CB LYS A 13 -3.694 -4.574 -3.185 1.00 0.00 C ATOM 195 CG LYS A 13 -2.823 -3.748 -2.236 1.00 0.00 C ATOM 196 CD LYS A 13 -1.656 -3.136 -3.014 1.00 0.00 C ATOM 197 CE LYS A 13 -2.089 -1.800 -3.622 1.00 0.00 C ATOM 198 NZ LYS A 13 -1.408 -1.744 -4.946 1.00 0.00 N ATOM 0 H LYS A 13 -5.080 -4.206 -0.579 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.489 -5.815 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.079 -5.289 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.160 -3.924 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.418 -2.961 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.446 -4.378 -1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.803 -2.986 -2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.333 -3.818 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.172 -1.748 -3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.793 -0.963 -2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.708 -0.888 -5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.378 -1.720 -4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.662 -2.585 -5.503 1.00 0.00 H new ATOM 212 N THR A 14 -4.937 -7.224 -0.896 1.00 0.00 N ATOM 213 CA THR A 14 -4.372 -8.306 -0.041 1.00 0.00 C ATOM 214 C THR A 14 -3.288 -9.055 -0.824 1.00 0.00 C ATOM 215 O THR A 14 -3.290 -9.074 -2.039 1.00 0.00 O ATOM 216 CB THR A 14 -5.564 -9.220 0.280 1.00 0.00 C ATOM 217 OG1 THR A 14 -6.181 -8.777 1.480 1.00 0.00 O ATOM 218 CG2 THR A 14 -5.098 -10.670 0.457 1.00 0.00 C ATOM 0 H THR A 14 -5.955 -7.201 -0.953 1.00 0.00 H new ATOM 0 HA THR A 14 -3.905 -7.933 0.871 1.00 0.00 H new ATOM 0 HB THR A 14 -6.274 -9.177 -0.546 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.571 -8.179 1.960 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.956 -11.303 0.684 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.626 -11.015 -0.463 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.381 -10.724 1.276 1.00 0.00 H new ATOM 226 N CYS A 15 -2.365 -9.668 -0.142 1.00 0.00 N ATOM 227 CA CYS A 15 -1.286 -10.408 -0.855 1.00 0.00 C ATOM 228 C CYS A 15 -1.200 -11.847 -0.345 1.00 0.00 C ATOM 229 O CYS A 15 -1.330 -12.108 0.835 1.00 0.00 O ATOM 230 CB CYS A 15 -0.006 -9.647 -0.519 1.00 0.00 C ATOM 231 SG CYS A 15 0.174 -9.553 1.278 1.00 0.00 S ATOM 0 H CYS A 15 -2.309 -9.690 0.876 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.463 -10.464 -1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.856 -10.150 -0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.042 -8.645 -0.946 1.00 0.00 H new ATOM 236 N TYR A 16 -0.972 -12.782 -1.224 1.00 0.00 N ATOM 237 CA TYR A 16 -0.867 -14.203 -0.787 1.00 0.00 C ATOM 238 C TYR A 16 0.483 -14.432 -0.108 1.00 0.00 C ATOM 239 O TYR A 16 0.604 -15.211 0.817 1.00 0.00 O ATOM 240 CB TYR A 16 -0.962 -15.021 -2.075 1.00 0.00 C ATOM 241 CG TYR A 16 -2.408 -15.330 -2.370 1.00 0.00 C ATOM 242 CD1 TYR A 16 -3.404 -14.408 -2.030 1.00 0.00 C ATOM 243 CD2 TYR A 16 -2.752 -16.538 -2.987 1.00 0.00 C ATOM 244 CE1 TYR A 16 -4.745 -14.695 -2.305 1.00 0.00 C ATOM 245 CE2 TYR A 16 -4.094 -16.825 -3.263 1.00 0.00 C ATOM 246 CZ TYR A 16 -5.091 -15.903 -2.922 1.00 0.00 C ATOM 247 OH TYR A 16 -6.413 -16.185 -3.193 1.00 0.00 O ATOM 0 H TYR A 16 -0.854 -12.625 -2.225 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.642 -14.480 -0.073 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.521 -14.467 -2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.395 -15.946 -1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.137 -13.475 -1.555 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.982 -17.249 -3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.514 -13.984 -2.041 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.360 -17.757 -3.739 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.479 -17.063 -3.624 1.00 0.00 H new ATOM 257 N LYS A 17 1.497 -13.752 -0.564 1.00 0.00 N ATOM 258 CA LYS A 17 2.848 -13.913 0.042 1.00 0.00 C ATOM 259 C LYS A 17 3.028 -12.914 1.188 1.00 0.00 C ATOM 260 O LYS A 17 3.342 -11.760 0.974 1.00 0.00 O ATOM 261 CB LYS A 17 3.818 -13.602 -1.096 1.00 0.00 C ATOM 262 CG LYS A 17 5.165 -14.281 -0.833 1.00 0.00 C ATOM 263 CD LYS A 17 5.948 -14.392 -2.146 1.00 0.00 C ATOM 264 CE LYS A 17 5.849 -13.074 -2.922 1.00 0.00 C ATOM 265 NZ LYS A 17 7.135 -12.963 -3.664 1.00 0.00 N ATOM 0 H LYS A 17 1.448 -13.087 -1.336 1.00 0.00 H new ATOM 0 HA LYS A 17 3.007 -14.908 0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.405 -13.949 -2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.955 -12.524 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.737 -13.707 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.008 -15.272 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.992 -14.625 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.552 -15.210 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.999 -13.081 -3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.709 -12.229 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.141 -12.084 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.926 -12.951 -2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.238 -13.777 -4.303 1.00 0.00 H new ATOM 279 N LEU A 18 2.825 -13.346 2.403 1.00 0.00 N ATOM 280 CA LEU A 18 2.978 -12.416 3.559 1.00 0.00 C ATOM 281 C LEU A 18 4.460 -12.152 3.839 1.00 0.00 C ATOM 282 O LEU A 18 5.324 -12.890 3.409 1.00 0.00 O ATOM 283 CB LEU A 18 2.336 -13.144 4.741 1.00 0.00 C ATOM 284 CG LEU A 18 0.861 -13.412 4.441 1.00 0.00 C ATOM 285 CD1 LEU A 18 0.229 -14.153 5.619 1.00 0.00 C ATOM 286 CD2 LEU A 18 0.133 -12.084 4.228 1.00 0.00 C ATOM 0 H LEU A 18 2.560 -14.301 2.645 1.00 0.00 H new ATOM 0 HA LEU A 18 2.513 -11.448 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.856 -14.084 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.430 -12.543 5.645 1.00 0.00 H new ATOM 0 HG LEU A 18 0.779 -14.020 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.823 -14.345 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.746 -15.100 5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.312 -13.544 6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.918 -12.276 4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.215 -11.476 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.583 -11.553 3.389 1.00 0.00 H new ATOM 298 N GLY A 19 4.758 -11.107 4.562 1.00 0.00 N ATOM 299 CA GLY A 19 6.181 -10.798 4.875 1.00 0.00 C ATOM 300 C GLY A 19 6.709 -9.745 3.906 1.00 0.00 C ATOM 301 O GLY A 19 5.962 -9.122 3.178 1.00 0.00 O ATOM 0 H GLY A 19 4.077 -10.454 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.267 -10.437 5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.783 -11.704 4.805 1.00 0.00 H new ATOM 305 N GLU A 20 7.997 -9.543 3.895 1.00 0.00 N ATOM 306 CA GLU A 20 8.588 -8.529 2.976 1.00 0.00 C ATOM 307 C GLU A 20 8.108 -8.771 1.544 1.00 0.00 C ATOM 308 O GLU A 20 8.745 -9.463 0.774 1.00 0.00 O ATOM 309 CB GLU A 20 10.099 -8.738 3.078 1.00 0.00 C ATOM 310 CG GLU A 20 10.823 -7.512 2.520 1.00 0.00 C ATOM 311 CD GLU A 20 11.797 -6.972 3.569 1.00 0.00 C ATOM 312 OE1 GLU A 20 12.434 -7.778 4.226 1.00 0.00 O ATOM 313 OE2 GLU A 20 11.888 -5.762 3.695 1.00 0.00 O ATOM 0 H GLU A 20 8.668 -10.037 4.484 1.00 0.00 H new ATOM 0 HA GLU A 20 8.298 -7.512 3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.385 -8.900 4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.392 -9.630 2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.362 -7.778 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.101 -6.742 2.249 1.00 0.00 H new ATOM 320 N ASN A 21 6.990 -8.206 1.181 1.00 0.00 N ATOM 321 CA ASN A 21 6.466 -8.401 -0.201 1.00 0.00 C ATOM 322 C ASN A 21 7.165 -7.447 -1.173 1.00 0.00 C ATOM 323 O ASN A 21 6.610 -6.444 -1.579 1.00 0.00 O ATOM 324 CB ASN A 21 4.975 -8.075 -0.107 1.00 0.00 C ATOM 325 CG ASN A 21 4.256 -8.583 -1.358 1.00 0.00 C ATOM 326 OD1 ASN A 21 4.519 -8.123 -2.452 1.00 0.00 O ATOM 327 ND2 ASN A 21 3.350 -9.517 -1.244 1.00 0.00 N ATOM 0 H ASN A 21 6.415 -7.616 1.783 1.00 0.00 H new ATOM 0 HA ASN A 21 6.640 -9.412 -0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.547 -8.537 0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.834 -6.999 -0.006 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.864 -9.860 -2.073 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.129 -9.904 -0.326 1.00 0.00 H new ATOM 334 N ASP A 22 8.378 -7.752 -1.553 1.00 0.00 N ATOM 335 CA ASP A 22 9.105 -6.862 -2.503 1.00 0.00 C ATOM 336 C ASP A 22 8.161 -6.422 -3.623 1.00 0.00 C ATOM 337 O ASP A 22 8.263 -5.329 -4.143 1.00 0.00 O ATOM 338 CB ASP A 22 10.240 -7.720 -3.064 1.00 0.00 C ATOM 339 CG ASP A 22 11.354 -6.813 -3.591 1.00 0.00 C ATOM 340 OD1 ASP A 22 11.076 -5.656 -3.854 1.00 0.00 O ATOM 341 OD2 ASP A 22 12.469 -7.293 -3.722 1.00 0.00 O ATOM 0 H ASP A 22 8.895 -8.577 -1.247 1.00 0.00 H new ATOM 0 HA ASP A 22 9.482 -5.959 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.630 -8.379 -2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.866 -8.358 -3.865 1.00 0.00 H new ATOM 346 N PHE A 23 7.238 -7.268 -3.992 1.00 0.00 N ATOM 347 CA PHE A 23 6.280 -6.901 -5.073 1.00 0.00 C ATOM 348 C PHE A 23 5.585 -5.583 -4.730 1.00 0.00 C ATOM 349 O PHE A 23 5.732 -4.593 -5.422 1.00 0.00 O ATOM 350 CB PHE A 23 5.269 -8.048 -5.112 1.00 0.00 C ATOM 351 CG PHE A 23 5.210 -8.614 -6.510 1.00 0.00 C ATOM 352 CD1 PHE A 23 6.343 -9.216 -7.069 1.00 0.00 C ATOM 353 CD2 PHE A 23 4.024 -8.533 -7.249 1.00 0.00 C ATOM 354 CE1 PHE A 23 6.291 -9.738 -8.366 1.00 0.00 C ATOM 355 CE2 PHE A 23 3.971 -9.054 -8.547 1.00 0.00 C ATOM 356 CZ PHE A 23 5.104 -9.656 -9.105 1.00 0.00 C ATOM 0 H PHE A 23 7.106 -8.197 -3.592 1.00 0.00 H new ATOM 0 HA PHE A 23 6.772 -6.761 -6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.557 -8.826 -4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.284 -7.691 -4.810 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.258 -9.278 -6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.150 -8.068 -6.818 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.165 -10.204 -8.797 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.056 -8.991 -9.117 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.063 -10.058 -10.107 1.00 0.00 H new ATOM 366 N CYS A 24 4.836 -5.556 -3.661 1.00 0.00 N ATOM 367 CA CYS A 24 4.145 -4.295 -3.275 1.00 0.00 C ATOM 368 C CYS A 24 5.184 -3.223 -2.950 1.00 0.00 C ATOM 369 O CYS A 24 5.000 -2.059 -3.244 1.00 0.00 O ATOM 370 CB CYS A 24 3.322 -4.653 -2.039 1.00 0.00 C ATOM 371 SG CYS A 24 1.670 -5.180 -2.560 1.00 0.00 S ATOM 0 H CYS A 24 4.674 -6.350 -3.041 1.00 0.00 H new ATOM 0 HA CYS A 24 3.514 -3.899 -4.070 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.812 -5.450 -1.479 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.250 -3.793 -1.373 1.00 0.00 H new ATOM 376 N ASN A 25 6.284 -3.607 -2.360 1.00 0.00 N ATOM 377 CA ASN A 25 7.337 -2.604 -2.038 1.00 0.00 C ATOM 378 C ASN A 25 7.726 -1.861 -3.315 1.00 0.00 C ATOM 379 O ASN A 25 7.802 -0.649 -3.343 1.00 0.00 O ATOM 380 CB ASN A 25 8.517 -3.419 -1.504 1.00 0.00 C ATOM 381 CG ASN A 25 8.392 -3.560 0.014 1.00 0.00 C ATOM 382 OD1 ASN A 25 7.342 -3.315 0.574 1.00 0.00 O ATOM 383 ND2 ASN A 25 9.427 -3.950 0.710 1.00 0.00 N ATOM 0 H ASN A 25 6.497 -4.567 -2.089 1.00 0.00 H new ATOM 0 HA ASN A 25 7.008 -1.861 -1.312 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.534 -4.404 -1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.457 -2.929 -1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.353 -4.049 1.723 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.309 -4.156 0.241 1.00 0.00 H new ATOM 390 N ARG A 26 7.957 -2.582 -4.378 1.00 0.00 N ATOM 391 CA ARG A 26 8.325 -1.923 -5.661 1.00 0.00 C ATOM 392 C ARG A 26 7.226 -0.939 -6.073 1.00 0.00 C ATOM 393 O ARG A 26 7.468 0.237 -6.251 1.00 0.00 O ATOM 394 CB ARG A 26 8.433 -3.065 -6.672 1.00 0.00 C ATOM 395 CG ARG A 26 9.859 -3.132 -7.221 1.00 0.00 C ATOM 396 CD ARG A 26 9.821 -3.575 -8.682 1.00 0.00 C ATOM 397 NE ARG A 26 10.834 -4.673 -8.780 1.00 0.00 N ATOM 398 CZ ARG A 26 12.066 -4.504 -8.373 1.00 0.00 C ATOM 399 NH1 ARG A 26 12.497 -3.322 -8.017 1.00 0.00 N ATOM 400 NH2 ARG A 26 12.888 -5.516 -8.374 1.00 0.00 N ATOM 0 H ARG A 26 7.906 -3.600 -4.412 1.00 0.00 H new ATOM 0 HA ARG A 26 9.253 -1.355 -5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.171 -4.010 -6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.726 -2.911 -7.487 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.338 -2.157 -7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.454 -3.831 -6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.828 -3.928 -8.962 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.067 -2.750 -9.351 1.00 0.00 H new ATOM 0 HE ARG A 26 10.558 -5.573 -9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.870 -2.518 -8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.460 -3.204 -7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.569 -6.432 -8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.850 -5.392 -8.058 1.00 0.00 H new ATOM 414 N GLU A 27 6.014 -1.411 -6.216 1.00 0.00 N ATOM 415 CA GLU A 27 4.901 -0.495 -6.606 1.00 0.00 C ATOM 416 C GLU A 27 4.706 0.570 -5.524 1.00 0.00 C ATOM 417 O GLU A 27 4.459 1.725 -5.810 1.00 0.00 O ATOM 418 CB GLU A 27 3.662 -1.387 -6.708 1.00 0.00 C ATOM 419 CG GLU A 27 2.623 -0.716 -7.609 1.00 0.00 C ATOM 420 CD GLU A 27 1.590 -1.752 -8.057 1.00 0.00 C ATOM 421 OE1 GLU A 27 1.327 -2.666 -7.292 1.00 0.00 O ATOM 422 OE2 GLU A 27 1.080 -1.616 -9.157 1.00 0.00 O ATOM 0 H GLU A 27 5.748 -2.386 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 27 5.100 0.025 -7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.935 -2.362 -7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.242 -1.560 -5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.131 0.095 -7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.111 -0.274 -8.478 1.00 0.00 H new ATOM 429 N CYS A 28 4.818 0.186 -4.283 1.00 0.00 N ATOM 430 CA CYS A 28 4.644 1.169 -3.177 1.00 0.00 C ATOM 431 C CYS A 28 5.569 2.370 -3.387 1.00 0.00 C ATOM 432 O CYS A 28 5.186 3.504 -3.173 1.00 0.00 O ATOM 433 CB CYS A 28 5.031 0.403 -1.911 1.00 0.00 C ATOM 434 SG CYS A 28 5.275 1.564 -0.544 1.00 0.00 S ATOM 0 H CYS A 28 5.023 -0.768 -3.986 1.00 0.00 H new ATOM 0 HA CYS A 28 3.628 1.561 -3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.251 -0.315 -1.656 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.944 -0.167 -2.084 1.00 0.00 H new ATOM 439 N LYS A 29 6.784 2.134 -3.802 1.00 0.00 N ATOM 440 CA LYS A 29 7.728 3.268 -4.022 1.00 0.00 C ATOM 441 C LYS A 29 8.109 3.372 -5.501 1.00 0.00 C ATOM 442 O LYS A 29 9.247 3.633 -5.839 1.00 0.00 O ATOM 443 CB LYS A 29 8.960 2.936 -3.177 1.00 0.00 C ATOM 444 CG LYS A 29 9.382 1.485 -3.426 1.00 0.00 C ATOM 445 CD LYS A 29 10.908 1.405 -3.517 1.00 0.00 C ATOM 446 CE LYS A 29 11.308 0.575 -4.741 1.00 0.00 C ATOM 447 NZ LYS A 29 12.431 -0.290 -4.275 1.00 0.00 N ATOM 0 H LYS A 29 7.164 1.208 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 29 7.285 4.224 -3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.778 3.611 -3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.738 3.084 -2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.021 0.847 -2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.932 1.118 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.331 2.407 -3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.313 0.954 -2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.472 -0.025 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.620 1.215 -5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.758 -0.888 -5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.216 0.308 -3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.103 -0.894 -3.494 1.00 0.00 H new ATOM 461 N TRP A 30 7.172 3.171 -6.387 1.00 0.00 N ATOM 462 CA TRP A 30 7.495 3.260 -7.843 1.00 0.00 C ATOM 463 C TRP A 30 7.579 4.718 -8.311 1.00 0.00 C ATOM 464 O TRP A 30 7.002 5.096 -9.311 1.00 0.00 O ATOM 465 CB TRP A 30 6.367 2.525 -8.568 1.00 0.00 C ATOM 466 CG TRP A 30 5.000 2.958 -8.100 1.00 0.00 C ATOM 467 CD1 TRP A 30 3.859 2.333 -8.475 1.00 0.00 C ATOM 468 CD2 TRP A 30 4.582 4.060 -7.213 1.00 0.00 C ATOM 469 NE1 TRP A 30 2.780 2.962 -7.891 1.00 0.00 N ATOM 470 CE2 TRP A 30 3.166 4.027 -7.107 1.00 0.00 C ATOM 471 CE3 TRP A 30 5.264 5.071 -6.497 1.00 0.00 C ATOM 472 CZ2 TRP A 30 2.463 4.950 -6.332 1.00 0.00 C ATOM 473 CZ3 TRP A 30 4.553 5.998 -5.717 1.00 0.00 C ATOM 474 CH2 TRP A 30 3.158 5.937 -5.636 1.00 0.00 C ATOM 0 H TRP A 30 6.200 2.950 -6.169 1.00 0.00 H new ATOM 0 HA TRP A 30 8.468 2.816 -8.054 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.453 2.702 -9.640 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.478 1.452 -8.412 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.803 1.476 -9.129 1.00 0.00 H new ATOM 0 HE1 TRP A 30 1.811 2.673 -8.024 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.341 5.131 -6.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 1.386 4.900 -6.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.088 6.764 -5.175 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.620 6.654 -5.034 1.00 0.00 H new ATOM 485 N LYS A 31 8.296 5.537 -7.590 1.00 0.00 N ATOM 486 CA LYS A 31 8.427 6.971 -7.977 1.00 0.00 C ATOM 487 C LYS A 31 9.128 7.744 -6.856 1.00 0.00 C ATOM 488 O LYS A 31 9.646 7.163 -5.924 1.00 0.00 O ATOM 489 CB LYS A 31 6.992 7.468 -8.165 1.00 0.00 C ATOM 490 CG LYS A 31 6.828 8.027 -9.580 1.00 0.00 C ATOM 491 CD LYS A 31 6.274 9.452 -9.508 1.00 0.00 C ATOM 492 CE LYS A 31 4.859 9.481 -10.094 1.00 0.00 C ATOM 493 NZ LYS A 31 3.948 9.299 -8.928 1.00 0.00 N ATOM 0 H LYS A 31 8.800 5.272 -6.744 1.00 0.00 H new ATOM 0 HA LYS A 31 9.019 7.109 -8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.288 6.652 -8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.763 8.239 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.788 8.025 -10.096 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.155 7.393 -10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.258 9.795 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.921 10.133 -10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.663 10.425 -10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.721 8.688 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.961 9.308 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.152 8.389 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.095 10.072 -8.248 1.00 0.00 H new ATOM 507 N HIS A 32 9.154 9.047 -6.934 1.00 0.00 N ATOM 508 CA HIS A 32 9.830 9.839 -5.864 1.00 0.00 C ATOM 509 C HIS A 32 8.818 10.281 -4.801 1.00 0.00 C ATOM 510 O HIS A 32 8.231 11.341 -4.892 1.00 0.00 O ATOM 511 CB HIS A 32 10.421 11.055 -6.577 1.00 0.00 C ATOM 512 CG HIS A 32 11.476 10.607 -7.550 1.00 0.00 C ATOM 513 ND1 HIS A 32 12.153 9.405 -7.408 1.00 0.00 N ATOM 514 CD2 HIS A 32 11.981 11.191 -8.685 1.00 0.00 C ATOM 515 CE1 HIS A 32 13.020 9.306 -8.433 1.00 0.00 C ATOM 516 NE2 HIS A 32 12.955 10.368 -9.241 1.00 0.00 N ATOM 0 H HIS A 32 8.739 9.596 -7.687 1.00 0.00 H new ATOM 0 HA HIS A 32 10.594 9.257 -5.349 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.635 11.599 -7.102 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.852 11.742 -5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.670 12.144 -9.085 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.687 8.470 -8.584 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.502 10.539 -10.085 1.00 0.00 H new ATOM 524 N ILE A 33 8.614 9.478 -3.792 1.00 0.00 N ATOM 525 CA ILE A 33 7.647 9.853 -2.720 1.00 0.00 C ATOM 526 C ILE A 33 8.315 9.727 -1.347 1.00 0.00 C ATOM 527 O ILE A 33 8.194 10.592 -0.502 1.00 0.00 O ATOM 528 CB ILE A 33 6.499 8.850 -2.852 1.00 0.00 C ATOM 529 CG1 ILE A 33 5.613 9.241 -4.036 1.00 0.00 C ATOM 530 CG2 ILE A 33 5.662 8.857 -1.571 1.00 0.00 C ATOM 531 CD1 ILE A 33 4.846 10.520 -3.698 1.00 0.00 C ATOM 0 H ILE A 33 9.076 8.578 -3.663 1.00 0.00 H new ATOM 0 HA ILE A 33 7.300 10.882 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 33 6.908 7.853 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.224 9.395 -4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.915 8.435 -4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.845 8.142 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.290 8.579 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.254 9.855 -1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.214 10.799 -4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.224 10.350 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.552 11.324 -3.492 1.00 0.00 H new ATOM 543 N GLY A 34 9.020 8.653 -1.123 1.00 0.00 N ATOM 544 CA GLY A 34 9.700 8.459 0.189 1.00 0.00 C ATOM 545 C GLY A 34 10.337 7.071 0.221 1.00 0.00 C ATOM 546 O GLY A 34 11.526 6.916 0.027 1.00 0.00 O ATOM 0 H GLY A 34 9.155 7.898 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.461 9.226 0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.983 8.563 1.003 1.00 0.00 H new ATOM 550 N GLY A 35 9.550 6.060 0.454 1.00 0.00 N ATOM 551 CA GLY A 35 10.099 4.676 0.489 1.00 0.00 C ATOM 552 C GLY A 35 10.961 4.483 1.736 1.00 0.00 C ATOM 553 O GLY A 35 12.174 4.525 1.679 1.00 0.00 O ATOM 0 H GLY A 35 8.547 6.132 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.283 3.953 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.693 4.490 -0.406 1.00 0.00 H new ATOM 557 N SER A 36 10.344 4.256 2.861 1.00 0.00 N ATOM 558 CA SER A 36 11.124 4.043 4.113 1.00 0.00 C ATOM 559 C SER A 36 11.074 2.563 4.502 1.00 0.00 C ATOM 560 O SER A 36 12.071 1.966 4.857 1.00 0.00 O ATOM 561 CB SER A 36 10.427 4.906 5.167 1.00 0.00 C ATOM 562 OG SER A 36 9.925 4.075 6.206 1.00 0.00 O ATOM 0 H SER A 36 9.331 4.209 2.969 1.00 0.00 H new ATOM 0 HA SER A 36 12.175 4.313 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.127 5.635 5.576 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.612 5.468 4.711 1.00 0.00 H new ATOM 0 HG SER A 36 9.624 4.632 6.954 1.00 0.00 H new ATOM 568 N TYR A 37 9.914 1.970 4.429 1.00 0.00 N ATOM 569 CA TYR A 37 9.780 0.529 4.784 1.00 0.00 C ATOM 570 C TYR A 37 8.483 -0.030 4.198 1.00 0.00 C ATOM 571 O TYR A 37 7.437 0.582 4.293 1.00 0.00 O ATOM 572 CB TYR A 37 9.736 0.496 6.311 1.00 0.00 C ATOM 573 CG TYR A 37 10.549 -0.673 6.809 1.00 0.00 C ATOM 574 CD1 TYR A 37 10.014 -1.966 6.764 1.00 0.00 C ATOM 575 CD2 TYR A 37 11.838 -0.466 7.313 1.00 0.00 C ATOM 576 CE1 TYR A 37 10.768 -3.051 7.225 1.00 0.00 C ATOM 577 CE2 TYR A 37 12.593 -1.551 7.772 1.00 0.00 C ATOM 578 CZ TYR A 37 12.058 -2.844 7.728 1.00 0.00 C ATOM 579 OH TYR A 37 12.802 -3.914 8.179 1.00 0.00 O ATOM 0 H TYR A 37 9.049 2.424 4.137 1.00 0.00 H new ATOM 0 HA TYR A 37 10.599 -0.074 4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.130 1.427 6.718 1.00 0.00 H new ATOM 0 HB3 TYR A 37 8.705 0.409 6.655 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.020 -2.126 6.374 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.250 0.532 7.348 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.355 -4.048 7.193 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.588 -1.391 8.160 1.00 0.00 H new ATOM 0 HH TYR A 37 13.674 -3.597 8.494 1.00 0.00 H new ATOM 589 N GLY A 38 8.538 -1.181 3.587 1.00 0.00 N ATOM 590 CA GLY A 38 7.300 -1.759 2.993 1.00 0.00 C ATOM 591 C GLY A 38 7.245 -3.265 3.252 1.00 0.00 C ATOM 592 O GLY A 38 8.220 -3.973 3.095 1.00 0.00 O ATOM 0 H GLY A 38 9.381 -1.744 3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.422 -1.276 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.278 -1.566 1.920 1.00 0.00 H new ATOM 596 N TYR A 39 6.101 -3.756 3.641 1.00 0.00 N ATOM 597 CA TYR A 39 5.953 -5.215 3.907 1.00 0.00 C ATOM 598 C TYR A 39 4.466 -5.557 4.039 1.00 0.00 C ATOM 599 O TYR A 39 3.675 -4.748 4.481 1.00 0.00 O ATOM 600 CB TYR A 39 6.695 -5.461 5.225 1.00 0.00 C ATOM 601 CG TYR A 39 5.851 -4.983 6.383 1.00 0.00 C ATOM 602 CD1 TYR A 39 5.895 -3.640 6.771 1.00 0.00 C ATOM 603 CD2 TYR A 39 5.024 -5.884 7.065 1.00 0.00 C ATOM 604 CE1 TYR A 39 5.110 -3.194 7.841 1.00 0.00 C ATOM 605 CE2 TYR A 39 4.238 -5.438 8.136 1.00 0.00 C ATOM 606 CZ TYR A 39 4.281 -4.093 8.523 1.00 0.00 C ATOM 607 OH TYR A 39 3.504 -3.653 9.576 1.00 0.00 O ATOM 0 H TYR A 39 5.255 -3.205 3.787 1.00 0.00 H new ATOM 0 HA TYR A 39 6.357 -5.835 3.107 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.915 -6.523 5.337 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.651 -4.937 5.219 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.535 -2.947 6.245 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.992 -6.921 6.766 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.144 -2.157 8.140 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.599 -6.131 8.663 1.00 0.00 H new ATOM 0 HH TYR A 39 2.957 -2.894 9.284 1.00 0.00 H new ATOM 617 N CYS A 40 4.075 -6.737 3.652 1.00 0.00 N ATOM 618 CA CYS A 40 2.634 -7.106 3.751 1.00 0.00 C ATOM 619 C CYS A 40 2.285 -7.566 5.170 1.00 0.00 C ATOM 620 O CYS A 40 3.095 -8.144 5.867 1.00 0.00 O ATOM 621 CB CYS A 40 2.453 -8.247 2.755 1.00 0.00 C ATOM 622 SG CYS A 40 1.149 -7.814 1.582 1.00 0.00 S ATOM 0 H CYS A 40 4.686 -7.460 3.273 1.00 0.00 H new ATOM 0 HA CYS A 40 1.980 -6.262 3.533 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.387 -8.434 2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.195 -9.166 3.281 1.00 0.00 H new ATOM 627 N TYR A 41 1.079 -7.311 5.598 1.00 0.00 N ATOM 628 CA TYR A 41 0.662 -7.728 6.967 1.00 0.00 C ATOM 629 C TYR A 41 -0.820 -8.108 6.965 1.00 0.00 C ATOM 630 O TYR A 41 -1.643 -7.427 6.386 1.00 0.00 O ATOM 631 CB TYR A 41 0.898 -6.500 7.846 1.00 0.00 C ATOM 632 CG TYR A 41 0.578 -6.840 9.281 1.00 0.00 C ATOM 633 CD1 TYR A 41 0.977 -8.070 9.816 1.00 0.00 C ATOM 634 CD2 TYR A 41 -0.118 -5.922 10.078 1.00 0.00 C ATOM 635 CE1 TYR A 41 0.680 -8.384 11.148 1.00 0.00 C ATOM 636 CE2 TYR A 41 -0.416 -6.236 11.410 1.00 0.00 C ATOM 637 CZ TYR A 41 -0.017 -7.466 11.945 1.00 0.00 C ATOM 638 OH TYR A 41 -0.311 -7.775 13.257 1.00 0.00 O ATOM 0 H TYR A 41 0.361 -6.830 5.056 1.00 0.00 H new ATOM 0 HA TYR A 41 1.217 -8.595 7.325 1.00 0.00 H new ATOM 0 HB2 TYR A 41 1.934 -6.172 7.761 1.00 0.00 H new ATOM 0 HB3 TYR A 41 0.273 -5.673 7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.514 -8.777 9.201 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.425 -4.972 9.665 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.988 -9.333 11.561 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.954 -5.529 12.024 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.797 -7.029 13.668 1.00 0.00 H new ATOM 648 N GLY A 42 -1.169 -9.191 7.602 1.00 0.00 N ATOM 649 CA GLY A 42 -2.599 -9.606 7.626 1.00 0.00 C ATOM 650 C GLY A 42 -3.151 -9.593 6.201 1.00 0.00 C ATOM 651 O GLY A 42 -4.227 -9.090 5.944 1.00 0.00 O ATOM 0 H GLY A 42 -0.528 -9.805 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.693 -10.603 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.175 -8.930 8.258 1.00 0.00 H new ATOM 655 N PHE A 43 -2.418 -10.139 5.270 1.00 0.00 N ATOM 656 CA PHE A 43 -2.895 -10.158 3.857 1.00 0.00 C ATOM 657 C PHE A 43 -3.200 -8.735 3.383 1.00 0.00 C ATOM 658 O PHE A 43 -4.308 -8.420 2.996 1.00 0.00 O ATOM 659 CB PHE A 43 -4.163 -11.010 3.879 1.00 0.00 C ATOM 660 CG PHE A 43 -3.812 -12.411 4.318 1.00 0.00 C ATOM 661 CD1 PHE A 43 -2.960 -13.196 3.533 1.00 0.00 C ATOM 662 CD2 PHE A 43 -4.335 -12.923 5.511 1.00 0.00 C ATOM 663 CE1 PHE A 43 -2.630 -14.494 3.940 1.00 0.00 C ATOM 664 CE2 PHE A 43 -4.006 -14.222 5.919 1.00 0.00 C ATOM 665 CZ PHE A 43 -3.153 -15.007 5.133 1.00 0.00 C ATOM 0 H PHE A 43 -1.508 -10.573 5.426 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.150 -10.562 3.172 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.896 -10.576 4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.619 -11.030 2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.557 -12.800 2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.992 -12.317 6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.972 -15.099 3.334 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.410 -14.618 6.839 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.899 -16.008 5.447 1.00 0.00 H new ATOM 675 N GLY A 44 -2.219 -7.876 3.408 1.00 0.00 N ATOM 676 CA GLY A 44 -2.435 -6.471 2.960 1.00 0.00 C ATOM 677 C GLY A 44 -1.080 -5.768 2.862 1.00 0.00 C ATOM 678 O GLY A 44 -0.300 -5.774 3.792 1.00 0.00 O ATOM 0 H GLY A 44 -1.272 -8.088 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.938 -6.457 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.082 -5.946 3.663 1.00 0.00 H new ATOM 682 N CYS A 45 -0.788 -5.172 1.738 1.00 0.00 N ATOM 683 CA CYS A 45 0.525 -4.483 1.578 1.00 0.00 C ATOM 684 C CYS A 45 0.574 -3.200 2.414 1.00 0.00 C ATOM 685 O CYS A 45 -0.259 -2.325 2.284 1.00 0.00 O ATOM 686 CB CYS A 45 0.618 -4.163 0.088 1.00 0.00 C ATOM 687 SG CYS A 45 0.746 -5.708 -0.845 1.00 0.00 S ATOM 0 H CYS A 45 -1.401 -5.132 0.924 1.00 0.00 H new ATOM 0 HA CYS A 45 1.356 -5.100 1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.261 -3.603 -0.231 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.486 -3.533 -0.107 1.00 0.00 H new ATOM 692 N TYR A 46 1.555 -3.087 3.269 1.00 0.00 N ATOM 693 CA TYR A 46 1.680 -1.869 4.119 1.00 0.00 C ATOM 694 C TYR A 46 2.977 -1.130 3.776 1.00 0.00 C ATOM 695 O TYR A 46 3.937 -1.726 3.329 1.00 0.00 O ATOM 696 CB TYR A 46 1.731 -2.402 5.550 1.00 0.00 C ATOM 697 CG TYR A 46 1.259 -1.335 6.508 1.00 0.00 C ATOM 698 CD1 TYR A 46 0.047 -0.673 6.278 1.00 0.00 C ATOM 699 CD2 TYR A 46 2.033 -1.011 7.628 1.00 0.00 C ATOM 700 CE1 TYR A 46 -0.390 0.315 7.169 1.00 0.00 C ATOM 701 CE2 TYR A 46 1.596 -0.025 8.519 1.00 0.00 C ATOM 702 CZ TYR A 46 0.385 0.639 8.291 1.00 0.00 C ATOM 703 OH TYR A 46 -0.044 1.612 9.170 1.00 0.00 O ATOM 0 H TYR A 46 2.279 -3.791 3.415 1.00 0.00 H new ATOM 0 HA TYR A 46 0.860 -1.165 3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.104 -3.289 5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.748 -2.704 5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.550 -0.924 5.414 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.968 -1.522 7.805 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.324 0.827 6.992 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.193 0.224 9.384 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.002 1.267 10.086 1.00 0.00 H new ATOM 713 N CYS A 47 3.021 0.158 3.981 1.00 0.00 N ATOM 714 CA CYS A 47 4.268 0.912 3.661 1.00 0.00 C ATOM 715 C CYS A 47 4.444 2.093 4.617 1.00 0.00 C ATOM 716 O CYS A 47 3.487 2.646 5.122 1.00 0.00 O ATOM 717 CB CYS A 47 4.077 1.409 2.228 1.00 0.00 C ATOM 718 SG CYS A 47 5.099 0.420 1.110 1.00 0.00 S ATOM 0 H CYS A 47 2.254 0.718 4.353 1.00 0.00 H new ATOM 0 HA CYS A 47 5.157 0.290 3.764 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.028 1.334 1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.353 2.461 2.156 1.00 0.00 H new ATOM 723 N GLU A 48 5.665 2.484 4.866 1.00 0.00 N ATOM 724 CA GLU A 48 5.912 3.630 5.788 1.00 0.00 C ATOM 725 C GLU A 48 6.607 4.771 5.039 1.00 0.00 C ATOM 726 O GLU A 48 7.215 4.569 4.006 1.00 0.00 O ATOM 727 CB GLU A 48 6.827 3.067 6.875 1.00 0.00 C ATOM 728 CG GLU A 48 5.985 2.626 8.074 1.00 0.00 C ATOM 729 CD GLU A 48 6.911 2.177 9.205 1.00 0.00 C ATOM 730 OE1 GLU A 48 7.547 3.033 9.798 1.00 0.00 O ATOM 731 OE2 GLU A 48 6.970 0.985 9.458 1.00 0.00 O ATOM 0 H GLU A 48 6.503 2.059 4.470 1.00 0.00 H new ATOM 0 HA GLU A 48 4.989 4.038 6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.395 2.222 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.550 3.822 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.353 3.448 8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.321 1.810 7.787 1.00 0.00 H new ATOM 738 N GLY A 49 6.521 5.969 5.550 1.00 0.00 N ATOM 739 CA GLY A 49 7.175 7.120 4.865 1.00 0.00 C ATOM 740 C GLY A 49 6.237 7.665 3.788 1.00 0.00 C ATOM 741 O GLY A 49 6.661 8.070 2.724 1.00 0.00 O ATOM 0 H GLY A 49 6.026 6.200 6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.411 7.901 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.117 6.804 4.417 1.00 0.00 H new ATOM 745 N LEU A 50 4.962 7.673 4.057 1.00 0.00 N ATOM 746 CA LEU A 50 3.986 8.185 3.053 1.00 0.00 C ATOM 747 C LEU A 50 3.639 9.651 3.351 1.00 0.00 C ATOM 748 O LEU A 50 2.943 9.931 4.307 1.00 0.00 O ATOM 749 CB LEU A 50 2.747 7.302 3.222 1.00 0.00 C ATOM 750 CG LEU A 50 3.174 5.840 3.364 1.00 0.00 C ATOM 751 CD1 LEU A 50 1.938 4.961 3.558 1.00 0.00 C ATOM 752 CD2 LEU A 50 3.918 5.406 2.100 1.00 0.00 C ATOM 0 H LEU A 50 4.551 7.346 4.932 1.00 0.00 H new ATOM 0 HA LEU A 50 4.381 8.149 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.183 7.614 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.086 7.417 2.363 1.00 0.00 H new ATOM 0 HG LEU A 50 3.830 5.734 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.244 3.920 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.408 5.272 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.280 5.064 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.224 4.364 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.261 5.512 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.800 6.032 1.964 1.00 0.00 H new ATOM 764 N PRO A 51 4.132 10.546 2.528 1.00 0.00 N ATOM 765 CA PRO A 51 3.859 11.989 2.724 1.00 0.00 C ATOM 766 C PRO A 51 2.353 12.241 2.860 1.00 0.00 C ATOM 767 O PRO A 51 1.540 11.475 2.383 1.00 0.00 O ATOM 768 CB PRO A 51 4.416 12.609 1.439 1.00 0.00 C ATOM 769 CG PRO A 51 5.180 11.519 0.659 1.00 0.00 C ATOM 770 CD PRO A 51 4.978 10.173 1.368 1.00 0.00 C ATOM 0 HA PRO A 51 4.304 12.404 3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.606 13.012 0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.080 13.440 1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.816 11.464 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.241 11.764 0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.485 9.445 0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.925 9.733 1.681 1.00 0.00 H new ATOM 778 N ASP A 52 1.978 13.308 3.513 1.00 0.00 N ATOM 779 CA ASP A 52 0.525 13.606 3.685 1.00 0.00 C ATOM 780 C ASP A 52 -0.143 13.820 2.324 1.00 0.00 C ATOM 781 O ASP A 52 -1.312 13.541 2.147 1.00 0.00 O ATOM 782 CB ASP A 52 0.479 14.896 4.505 1.00 0.00 C ATOM 783 CG ASP A 52 0.177 14.563 5.967 1.00 0.00 C ATOM 784 OD1 ASP A 52 -0.405 13.518 6.207 1.00 0.00 O ATOM 785 OD2 ASP A 52 0.530 15.360 6.821 1.00 0.00 O ATOM 0 H ASP A 52 2.613 13.986 3.935 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.004 12.788 4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.431 15.421 4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.285 15.564 4.108 1.00 0.00 H new ATOM 790 N SER A 53 0.587 14.319 1.366 1.00 0.00 N ATOM 791 CA SER A 53 -0.013 14.559 0.020 1.00 0.00 C ATOM 792 C SER A 53 0.012 13.278 -0.822 1.00 0.00 C ATOM 793 O SER A 53 -0.136 13.318 -2.027 1.00 0.00 O ATOM 794 CB SER A 53 0.865 15.638 -0.615 1.00 0.00 C ATOM 795 OG SER A 53 2.113 15.689 0.065 1.00 0.00 O ATOM 0 H SER A 53 1.571 14.571 1.455 1.00 0.00 H new ATOM 0 HA SER A 53 -1.057 14.865 0.086 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.022 15.420 -1.671 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.368 16.606 -0.560 1.00 0.00 H new ATOM 0 HG SER A 53 2.679 16.379 -0.341 1.00 0.00 H new ATOM 801 N THR A 54 0.196 12.143 -0.203 1.00 0.00 N ATOM 802 CA THR A 54 0.229 10.868 -0.980 1.00 0.00 C ATOM 803 C THR A 54 -1.119 10.144 -0.880 1.00 0.00 C ATOM 804 O THR A 54 -1.866 10.330 0.060 1.00 0.00 O ATOM 805 CB THR A 54 1.332 10.034 -0.323 1.00 0.00 C ATOM 806 OG1 THR A 54 2.410 10.882 0.046 1.00 0.00 O ATOM 807 CG2 THR A 54 1.827 8.975 -1.309 1.00 0.00 C ATOM 0 H THR A 54 0.325 12.042 0.804 1.00 0.00 H new ATOM 0 HA THR A 54 0.418 11.038 -2.040 1.00 0.00 H new ATOM 0 HB THR A 54 0.936 9.543 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.663 11.440 -0.718 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.612 8.381 -0.841 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.999 8.324 -1.590 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.223 9.464 -2.199 1.00 0.00 H new ATOM 815 N GLN A 55 -1.430 9.310 -1.838 1.00 0.00 N ATOM 816 CA GLN A 55 -2.724 8.565 -1.791 1.00 0.00 C ATOM 817 C GLN A 55 -2.556 7.293 -0.956 1.00 0.00 C ATOM 818 O GLN A 55 -1.544 6.625 -1.034 1.00 0.00 O ATOM 819 CB GLN A 55 -3.033 8.210 -3.247 1.00 0.00 C ATOM 820 CG GLN A 55 -4.259 8.994 -3.719 1.00 0.00 C ATOM 821 CD GLN A 55 -5.423 8.031 -3.961 1.00 0.00 C ATOM 822 OE1 GLN A 55 -6.231 8.246 -4.843 1.00 0.00 O ATOM 823 NE2 GLN A 55 -5.543 6.969 -3.211 1.00 0.00 N ATOM 0 H GLN A 55 -0.845 9.113 -2.650 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.525 9.149 -1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.175 8.443 -3.878 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.216 7.139 -3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.538 9.737 -2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.026 9.536 -4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.865 6.788 -2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.315 6.320 -3.365 1.00 0.00 H new ATOM 832 N THR A 56 -3.526 6.951 -0.151 1.00 0.00 N ATOM 833 CA THR A 56 -3.387 5.724 0.681 1.00 0.00 C ATOM 834 C THR A 56 -4.756 5.115 0.999 1.00 0.00 C ATOM 835 O THR A 56 -5.790 5.684 0.710 1.00 0.00 O ATOM 836 CB THR A 56 -2.715 6.205 1.965 1.00 0.00 C ATOM 837 OG1 THR A 56 -2.878 7.611 2.087 1.00 0.00 O ATOM 838 CG2 THR A 56 -1.225 5.863 1.926 1.00 0.00 C ATOM 0 H THR A 56 -4.400 7.463 -0.035 1.00 0.00 H new ATOM 0 HA THR A 56 -2.816 4.949 0.169 1.00 0.00 H new ATOM 0 HB THR A 56 -3.175 5.711 2.821 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.448 7.920 2.912 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.748 6.208 2.844 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.102 4.784 1.836 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.761 6.354 1.070 1.00 0.00 H new ATOM 846 N TRP A 57 -4.759 3.958 1.604 1.00 0.00 N ATOM 847 CA TRP A 57 -6.042 3.287 1.966 1.00 0.00 C ATOM 848 C TRP A 57 -6.393 3.610 3.425 1.00 0.00 C ATOM 849 O TRP A 57 -5.510 3.837 4.228 1.00 0.00 O ATOM 850 CB TRP A 57 -5.741 1.794 1.805 1.00 0.00 C ATOM 851 CG TRP A 57 -7.006 1.037 1.562 1.00 0.00 C ATOM 852 CD1 TRP A 57 -7.775 1.142 0.454 1.00 0.00 C ATOM 853 CD2 TRP A 57 -7.663 0.064 2.425 1.00 0.00 C ATOM 854 NE1 TRP A 57 -8.861 0.295 0.582 1.00 0.00 N ATOM 855 CE2 TRP A 57 -8.836 -0.391 1.779 1.00 0.00 C ATOM 856 CE3 TRP A 57 -7.356 -0.463 3.692 1.00 0.00 C ATOM 857 CZ2 TRP A 57 -9.677 -1.336 2.370 1.00 0.00 C ATOM 858 CZ3 TRP A 57 -8.199 -1.414 4.290 1.00 0.00 C ATOM 859 CH2 TRP A 57 -9.357 -1.849 3.630 1.00 0.00 C ATOM 0 H TRP A 57 -3.918 3.443 1.866 1.00 0.00 H new ATOM 0 HA TRP A 57 -6.884 3.607 1.353 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -5.052 1.642 0.974 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.249 1.416 2.701 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -7.574 1.782 -0.392 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -9.591 0.190 -0.122 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -6.466 -0.134 4.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -10.568 -1.668 1.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -7.954 -1.812 5.263 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.001 -2.580 4.095 1.00 0.00 H new ATOM 870 N PRO A 58 -7.669 3.631 3.728 1.00 0.00 N ATOM 871 CA PRO A 58 -8.734 3.494 2.703 1.00 0.00 C ATOM 872 C PRO A 58 -8.891 4.782 1.889 1.00 0.00 C ATOM 873 O PRO A 58 -8.279 5.793 2.173 1.00 0.00 O ATOM 874 CB PRO A 58 -9.979 3.245 3.559 1.00 0.00 C ATOM 875 CG PRO A 58 -9.606 3.447 5.042 1.00 0.00 C ATOM 876 CD PRO A 58 -8.110 3.777 5.132 1.00 0.00 C ATOM 0 HA PRO A 58 -8.533 2.710 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.777 3.930 3.273 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.353 2.234 3.397 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.198 4.254 5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.829 2.546 5.614 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.938 4.785 5.509 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.582 3.093 5.797 1.00 0.00 H new ATOM 884 N LEU A 59 -9.719 4.747 0.879 1.00 0.00 N ATOM 885 CA LEU A 59 -9.940 5.957 0.035 1.00 0.00 C ATOM 886 C LEU A 59 -10.778 6.990 0.799 1.00 0.00 C ATOM 887 O LEU A 59 -11.354 6.679 1.823 1.00 0.00 O ATOM 888 CB LEU A 59 -10.705 5.438 -1.186 1.00 0.00 C ATOM 889 CG LEU A 59 -9.724 4.871 -2.221 1.00 0.00 C ATOM 890 CD1 LEU A 59 -9.103 6.016 -3.023 1.00 0.00 C ATOM 891 CD2 LEU A 59 -8.614 4.085 -1.513 1.00 0.00 C ATOM 0 H LEU A 59 -10.256 3.925 0.601 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.009 6.451 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.411 4.665 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.288 6.245 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.264 4.205 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.407 5.610 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.890 6.569 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.569 6.685 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.922 3.686 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.076 4.746 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.054 3.263 -0.947 1.00 0.00 H new ATOM 903 N PRO A 60 -10.821 8.193 0.277 1.00 0.00 N ATOM 904 CA PRO A 60 -11.598 9.278 0.920 1.00 0.00 C ATOM 905 C PRO A 60 -13.059 8.867 1.102 1.00 0.00 C ATOM 906 O PRO A 60 -13.396 7.700 1.087 1.00 0.00 O ATOM 907 CB PRO A 60 -11.465 10.428 -0.083 1.00 0.00 C ATOM 908 CG PRO A 60 -10.519 9.988 -1.218 1.00 0.00 C ATOM 909 CD PRO A 60 -10.104 8.530 -0.976 1.00 0.00 C ATOM 0 HA PRO A 60 -11.244 9.536 1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.442 10.692 -0.487 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.074 11.317 0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.017 10.084 -2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.640 10.631 -1.247 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.402 7.882 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.024 8.429 -0.865 1.00 0.00 H new ATOM 917 N ASN A 61 -13.924 9.822 1.275 1.00 0.00 N ATOM 918 CA ASN A 61 -15.367 9.499 1.460 1.00 0.00 C ATOM 919 C ASN A 61 -15.805 8.495 0.398 1.00 0.00 C ATOM 920 O ASN A 61 -16.738 7.739 0.585 1.00 0.00 O ATOM 921 CB ASN A 61 -16.101 10.829 1.282 1.00 0.00 C ATOM 922 CG ASN A 61 -15.948 11.675 2.548 1.00 0.00 C ATOM 923 OD1 ASN A 61 -15.196 12.628 2.568 1.00 0.00 O ATOM 924 ND2 ASN A 61 -16.635 11.365 3.613 1.00 0.00 N ATOM 0 H ASN A 61 -13.696 10.816 1.297 1.00 0.00 H new ATOM 0 HA ASN A 61 -15.576 9.054 2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.698 11.366 0.423 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -17.157 10.649 1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.540 11.923 4.461 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -17.267 10.565 3.597 1.00 0.00 H new ATOM 931 N LYS A 62 -15.132 8.481 -0.718 1.00 0.00 N ATOM 932 CA LYS A 62 -15.500 7.523 -1.800 1.00 0.00 C ATOM 933 C LYS A 62 -14.623 6.269 -1.714 1.00 0.00 C ATOM 934 O LYS A 62 -13.432 6.315 -1.952 1.00 0.00 O ATOM 935 CB LYS A 62 -15.241 8.274 -3.108 1.00 0.00 C ATOM 936 CG LYS A 62 -15.703 7.417 -4.289 1.00 0.00 C ATOM 937 CD LYS A 62 -17.019 7.967 -4.844 1.00 0.00 C ATOM 938 CE LYS A 62 -17.076 7.725 -6.354 1.00 0.00 C ATOM 939 NZ LYS A 62 -18.043 8.733 -6.872 1.00 0.00 N ATOM 0 H LYS A 62 -14.342 9.091 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.536 7.193 -1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.773 9.225 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.180 8.503 -3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.941 7.415 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.836 6.383 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.864 7.482 -4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.098 9.033 -4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.094 7.850 -6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.406 6.711 -6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.135 8.629 -7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -18.971 8.586 -6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.700 9.689 -6.650 1.00 0.00 H new ATOM 953 N THR A 63 -15.202 5.151 -1.370 1.00 0.00 N ATOM 954 CA THR A 63 -14.403 3.893 -1.264 1.00 0.00 C ATOM 955 C THR A 63 -14.109 3.322 -2.652 1.00 0.00 C ATOM 956 O THR A 63 -14.315 3.968 -3.660 1.00 0.00 O ATOM 957 CB THR A 63 -15.281 2.922 -0.472 1.00 0.00 C ATOM 958 OG1 THR A 63 -14.612 1.675 -0.352 1.00 0.00 O ATOM 959 CG2 THR A 63 -16.612 2.717 -1.200 1.00 0.00 C ATOM 0 H THR A 63 -16.195 5.053 -1.157 1.00 0.00 H new ATOM 0 HA THR A 63 -13.442 4.067 -0.781 1.00 0.00 H new ATOM 0 HB THR A 63 -15.472 3.334 0.519 1.00 0.00 H new ATOM 0 HG1 THR A 63 -15.171 1.051 0.156 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.234 2.025 -0.633 1.00 0.00 H new ATOM 0 HG22 THR A 63 -17.126 3.673 -1.294 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.425 2.307 -2.192 1.00 0.00 H new ATOM 967 N CYS A 64 -13.631 2.109 -2.705 1.00 0.00 N ATOM 968 CA CYS A 64 -13.325 1.480 -4.022 1.00 0.00 C ATOM 969 C CYS A 64 -14.622 1.251 -4.806 1.00 0.00 C ATOM 970 O CYS A 64 -14.631 1.534 -5.993 1.00 0.00 O ATOM 971 CB CYS A 64 -12.654 0.147 -3.671 1.00 0.00 C ATOM 972 SG CYS A 64 -12.703 -0.969 -5.098 1.00 0.00 S ATOM 973 OXT CYS A 64 -15.582 0.797 -4.205 1.00 0.00 O ATOM 0 H CYS A 64 -13.439 1.525 -1.891 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.685 2.102 -4.648 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.621 0.319 -3.369 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.161 -0.312 -2.823 1.00 0.00 H new TER 978 CYS A 64