USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 507 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.672 (180deg=-0.351) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc=-0.00323 K(o=-0.0032,f=-0.73) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.0789 F(o=-0.87,f=-0.079) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 23 SER OG : rot 89:sc= 0.0599 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.022) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 79:sc= 0.614 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 92:sc= 0.639 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 32:sc= 0.202 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.581 -12.207 6.239 1.00 0.00 N ATOM 2 CA MET A 1 5.504 -12.784 4.902 1.00 0.00 C ATOM 3 C MET A 1 6.664 -13.744 4.656 1.00 0.00 C ATOM 4 O MET A 1 7.473 -13.536 3.752 1.00 0.00 O ATOM 5 CB MET A 1 5.508 -11.678 3.845 1.00 0.00 C ATOM 6 CG MET A 1 6.554 -10.604 4.094 1.00 0.00 C ATOM 7 SD MET A 1 5.902 -9.200 5.018 1.00 0.00 S ATOM 8 CE MET A 1 6.514 -7.834 4.034 1.00 0.00 C ATOM 0 H1 MET A 1 4.757 -12.511 6.796 1.00 0.00 H new ATOM 0 H2 MET A 1 6.453 -12.529 6.706 1.00 0.00 H new ATOM 0 H3 MET A 1 5.588 -11.169 6.169 1.00 0.00 H new ATOM 0 HA MET A 1 4.571 -13.343 4.828 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.682 -12.123 2.866 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.522 -11.213 3.813 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.391 -11.037 4.642 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.945 -10.255 3.138 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.192 -6.892 4.479 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.603 -7.867 4.003 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.119 -7.910 3.021 1.00 0.00 H new ATOM 18 N VAL A 2 6.739 -14.795 5.467 1.00 0.00 N ATOM 19 CA VAL A 2 7.799 -15.786 5.336 1.00 0.00 C ATOM 20 C VAL A 2 7.224 -17.189 5.181 1.00 0.00 C ATOM 21 O VAL A 2 6.829 -17.822 6.161 1.00 0.00 O ATOM 22 CB VAL A 2 8.743 -15.762 6.554 1.00 0.00 C ATOM 23 CG1 VAL A 2 7.945 -15.796 7.848 1.00 0.00 C ATOM 24 CG2 VAL A 2 9.722 -16.924 6.491 1.00 0.00 C ATOM 0 H VAL A 2 6.078 -14.981 6.221 1.00 0.00 H new ATOM 0 HA VAL A 2 8.365 -15.528 4.441 1.00 0.00 H new ATOM 0 HB VAL A 2 9.314 -14.834 6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.628 -15.778 8.697 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.288 -14.928 7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.346 -16.706 7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.381 -16.892 7.359 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.171 -17.864 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.317 -16.850 5.581 1.00 0.00 H new ATOM 34 N SER A 3 7.179 -17.671 3.943 1.00 0.00 N ATOM 35 CA SER A 3 6.648 -18.999 3.658 1.00 0.00 C ATOM 36 C SER A 3 7.691 -19.861 2.954 1.00 0.00 C ATOM 37 O SER A 3 8.123 -19.549 1.845 1.00 0.00 O ATOM 38 CB SER A 3 5.390 -18.894 2.794 1.00 0.00 C ATOM 39 OG SER A 3 4.221 -19.087 3.571 1.00 0.00 O ATOM 0 H SER A 3 7.504 -17.162 3.121 1.00 0.00 H new ATOM 0 HA SER A 3 6.391 -19.471 4.606 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.355 -17.916 2.315 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.428 -19.638 1.998 1.00 0.00 H new ATOM 0 HG SER A 3 3.430 -19.013 2.996 1.00 0.00 H new ATOM 45 N GLN A 4 8.092 -20.947 3.608 1.00 0.00 N ATOM 46 CA GLN A 4 9.085 -21.855 3.046 1.00 0.00 C ATOM 47 C GLN A 4 8.680 -23.308 3.265 1.00 0.00 C ATOM 48 O GLN A 4 9.528 -24.199 3.319 1.00 0.00 O ATOM 49 CB GLN A 4 10.456 -21.595 3.672 1.00 0.00 C ATOM 50 CG GLN A 4 10.429 -21.530 5.191 1.00 0.00 C ATOM 51 CD GLN A 4 11.815 -21.433 5.796 1.00 0.00 C ATOM 52 OE1 GLN A 4 12.771 -22.018 5.285 1.00 0.00 O ATOM 53 NE2 GLN A 4 11.933 -20.691 6.891 1.00 0.00 N ATOM 0 H GLN A 4 7.744 -21.219 4.527 1.00 0.00 H new ATOM 0 HA GLN A 4 9.142 -21.671 1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 4 11.143 -22.383 3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 4 10.852 -20.657 3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 4 9.839 -20.668 5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.928 -22.417 5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.115 -20.224 7.281 1.00 0.00 H new ATOM 0 HE22 GLN A 4 12.842 -20.588 7.342 1.00 0.00 H new ATOM 62 N LYS A 5 7.378 -23.542 3.391 1.00 0.00 N ATOM 63 CA LYS A 5 6.858 -24.888 3.603 1.00 0.00 C ATOM 64 C LYS A 5 6.210 -25.428 2.332 1.00 0.00 C ATOM 65 O LYS A 5 6.319 -24.826 1.265 1.00 0.00 O ATOM 66 CB LYS A 5 5.842 -24.890 4.747 1.00 0.00 C ATOM 67 CG LYS A 5 6.158 -25.895 5.840 1.00 0.00 C ATOM 68 CD LYS A 5 5.354 -25.622 7.100 1.00 0.00 C ATOM 69 CE LYS A 5 4.579 -26.853 7.545 1.00 0.00 C ATOM 70 NZ LYS A 5 3.410 -26.495 8.396 1.00 0.00 N ATOM 0 H LYS A 5 6.663 -22.816 3.350 1.00 0.00 H new ATOM 0 HA LYS A 5 7.694 -25.536 3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.798 -23.892 5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.853 -25.105 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.944 -26.902 5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.222 -25.859 6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.024 -25.304 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.661 -24.800 6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.235 -27.402 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.241 -27.518 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.908 -27.361 8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.740 -25.993 9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.765 -25.881 7.859 1.00 0.00 H new ATOM 84 N ASN A 6 5.534 -26.565 2.455 1.00 0.00 N ATOM 85 CA ASN A 6 4.867 -27.185 1.316 1.00 0.00 C ATOM 86 C ASN A 6 3.857 -26.229 0.690 1.00 0.00 C ATOM 87 O ASN A 6 3.683 -26.203 -0.527 1.00 0.00 O ATOM 88 CB ASN A 6 4.166 -28.474 1.749 1.00 0.00 C ATOM 89 CG ASN A 6 3.378 -28.301 3.034 1.00 0.00 C ATOM 90 OD1 ASN A 6 4.023 -28.570 4.163 1.00 0.00 O flip ATOM 91 ND2 ASN A 6 2.205 -27.928 3.010 1.00 0.00 N flip ATOM 0 H ASN A 6 5.433 -27.076 3.332 1.00 0.00 H new ATOM 0 HA ASN A 6 5.624 -27.424 0.569 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.495 -28.803 0.956 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.909 -29.260 1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.750 -27.733 2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 6 1.688 -27.814 3.882 1.00 0.00 H new ATOM 98 N GLY A 7 3.194 -25.442 1.533 1.00 0.00 N ATOM 99 CA GLY A 7 2.210 -24.494 1.044 1.00 0.00 C ATOM 100 C GLY A 7 2.780 -23.553 0.001 1.00 0.00 C ATOM 101 O GLY A 7 3.500 -22.611 0.333 1.00 0.00 O ATOM 0 H GLY A 7 3.321 -25.444 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.367 -25.038 0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.823 -23.913 1.881 1.00 0.00 H new ATOM 105 N ILE A 8 2.458 -23.809 -1.263 1.00 0.00 N ATOM 106 CA ILE A 8 2.944 -22.978 -2.357 1.00 0.00 C ATOM 107 C ILE A 8 1.786 -22.342 -3.119 1.00 0.00 C ATOM 108 O ILE A 8 1.779 -22.318 -4.350 1.00 0.00 O ATOM 109 CB ILE A 8 3.807 -23.790 -3.341 1.00 0.00 C ATOM 110 CG1 ILE A 8 3.067 -25.057 -3.777 1.00 0.00 C ATOM 111 CG2 ILE A 8 5.144 -24.142 -2.706 1.00 0.00 C ATOM 112 CD1 ILE A 8 3.139 -25.316 -5.265 1.00 0.00 C ATOM 0 H ILE A 8 1.863 -24.585 -1.554 1.00 0.00 H new ATOM 0 HA ILE A 8 3.557 -22.195 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 8 3.996 -23.181 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.485 -25.913 -3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.021 -24.978 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.743 -24.716 -3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.673 -23.227 -2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.975 -24.736 -1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.593 -26.229 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.695 -24.478 -5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.181 -25.428 -5.565 1.00 0.00 H new ATOM 124 N ALA A 9 0.811 -21.825 -2.379 1.00 0.00 N ATOM 125 CA ALA A 9 -0.350 -21.185 -2.985 1.00 0.00 C ATOM 126 C ALA A 9 -0.159 -19.674 -3.075 1.00 0.00 C ATOM 127 O ALA A 9 -0.130 -19.105 -4.166 1.00 0.00 O ATOM 128 CB ALA A 9 -1.607 -21.514 -2.194 1.00 0.00 C ATOM 0 H ALA A 9 0.802 -21.837 -1.359 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.460 -21.572 -3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.466 -21.029 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.760 -22.593 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.497 -21.155 -1.171 1.00 0.00 H new ATOM 134 N THR A 10 -0.031 -19.029 -1.919 1.00 0.00 N ATOM 135 CA THR A 10 0.155 -17.585 -1.867 1.00 0.00 C ATOM 136 C THR A 10 1.519 -17.186 -2.419 1.00 0.00 C ATOM 137 O THR A 10 1.640 -16.205 -3.155 1.00 0.00 O ATOM 138 CB THR A 10 0.021 -17.052 -0.428 1.00 0.00 C ATOM 139 OG1 THR A 10 -1.139 -17.615 0.196 1.00 0.00 O ATOM 140 CG2 THR A 10 -0.079 -15.534 -0.419 1.00 0.00 C ATOM 0 H THR A 10 -0.053 -19.485 -1.007 1.00 0.00 H new ATOM 0 HA THR A 10 -0.628 -17.144 -2.484 1.00 0.00 H new ATOM 0 HB THR A 10 0.912 -17.344 0.128 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.217 -17.273 1.111 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.173 -15.182 0.608 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.818 -15.108 -0.868 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.954 -15.224 -0.990 1.00 0.00 H new ATOM 148 N LEU A 11 2.544 -17.950 -2.060 1.00 0.00 N ATOM 149 CA LEU A 11 3.901 -17.677 -2.520 1.00 0.00 C ATOM 150 C LEU A 11 3.985 -17.749 -4.041 1.00 0.00 C ATOM 151 O LEU A 11 4.688 -16.959 -4.673 1.00 0.00 O ATOM 152 CB LEU A 11 4.883 -18.670 -1.896 1.00 0.00 C ATOM 153 CG LEU A 11 6.357 -18.471 -2.250 1.00 0.00 C ATOM 154 CD1 LEU A 11 7.092 -17.785 -1.109 1.00 0.00 C ATOM 155 CD2 LEU A 11 7.010 -19.804 -2.585 1.00 0.00 C ATOM 0 H LEU A 11 2.461 -18.764 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 11 4.168 -16.668 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.781 -18.619 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.591 -19.676 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 11 6.417 -17.830 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.140 -17.652 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.640 -16.812 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.024 -18.399 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.059 -19.643 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.940 -20.470 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.500 -20.255 -3.436 1.00 0.00 H new ATOM 167 N LEU A 12 3.263 -18.700 -4.624 1.00 0.00 N ATOM 168 CA LEU A 12 3.254 -18.874 -6.072 1.00 0.00 C ATOM 169 C LEU A 12 2.810 -17.594 -6.772 1.00 0.00 C ATOM 170 O LEU A 12 3.238 -17.306 -7.889 1.00 0.00 O ATOM 171 CB LEU A 12 2.328 -20.029 -6.460 1.00 0.00 C ATOM 172 CG LEU A 12 2.261 -20.362 -7.951 1.00 0.00 C ATOM 173 CD1 LEU A 12 3.653 -20.627 -8.503 1.00 0.00 C ATOM 174 CD2 LEU A 12 1.354 -21.561 -8.189 1.00 0.00 C ATOM 0 H LEU A 12 2.676 -19.362 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 12 4.270 -19.107 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.648 -20.922 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.321 -19.793 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 12 1.842 -19.504 -8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.585 -20.862 -9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.273 -19.741 -8.367 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.100 -21.468 -7.973 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.318 -21.784 -9.255 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.744 -22.425 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.350 -21.334 -7.832 1.00 0.00 H new ATOM 186 N GLN A 13 1.951 -16.829 -6.106 1.00 0.00 N ATOM 187 CA GLN A 13 1.451 -15.578 -6.664 1.00 0.00 C ATOM 188 C GLN A 13 2.568 -14.546 -6.775 1.00 0.00 C ATOM 189 O GLN A 13 2.701 -13.868 -7.793 1.00 0.00 O ATOM 190 CB GLN A 13 0.315 -15.027 -5.800 1.00 0.00 C ATOM 191 CG GLN A 13 -0.684 -14.183 -6.574 1.00 0.00 C ATOM 192 CD GLN A 13 -2.027 -14.084 -5.878 1.00 0.00 C ATOM 193 OE1 GLN A 13 -2.121 -14.240 -4.660 1.00 0.00 O ATOM 194 NE2 GLN A 13 -3.076 -13.822 -6.649 1.00 0.00 N ATOM 0 H GLN A 13 1.587 -17.053 -5.180 1.00 0.00 H new ATOM 0 HA GLN A 13 1.070 -15.783 -7.665 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.211 -15.859 -5.332 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.740 -14.426 -4.996 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.277 -13.182 -6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.824 -14.611 -7.566 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.952 -13.700 -7.654 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.005 -13.743 -6.236 1.00 0.00 H new ATOM 203 N ALA A 14 3.368 -14.432 -5.720 1.00 0.00 N ATOM 204 CA ALA A 14 4.475 -13.484 -5.700 1.00 0.00 C ATOM 205 C ALA A 14 5.565 -13.891 -6.686 1.00 0.00 C ATOM 206 O ALA A 14 6.125 -13.049 -7.387 1.00 0.00 O ATOM 207 CB ALA A 14 5.048 -13.372 -4.294 1.00 0.00 C ATOM 0 H ALA A 14 3.270 -14.984 -4.868 1.00 0.00 H new ATOM 0 HA ALA A 14 4.092 -12.510 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.874 -12.661 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.272 -13.027 -3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.409 -14.348 -3.970 1.00 0.00 H new ATOM 213 N GLU A 15 5.860 -15.186 -6.733 1.00 0.00 N ATOM 214 CA GLU A 15 6.885 -15.702 -7.634 1.00 0.00 C ATOM 215 C GLU A 15 6.448 -15.568 -9.089 1.00 0.00 C ATOM 216 O GLU A 15 7.226 -15.150 -9.947 1.00 0.00 O ATOM 217 CB GLU A 15 7.185 -17.168 -7.313 1.00 0.00 C ATOM 218 CG GLU A 15 8.333 -17.746 -8.124 1.00 0.00 C ATOM 219 CD GLU A 15 9.570 -18.000 -7.285 1.00 0.00 C ATOM 220 OE1 GLU A 15 9.862 -17.174 -6.395 1.00 0.00 O ATOM 221 OE2 GLU A 15 10.246 -19.023 -7.518 1.00 0.00 O ATOM 0 H GLU A 15 5.405 -15.896 -6.159 1.00 0.00 H new ATOM 0 HA GLU A 15 7.790 -15.113 -7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.419 -17.258 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.289 -17.762 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.013 -18.681 -8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.582 -17.060 -8.934 1.00 0.00 H new ATOM 228 N LYS A 16 5.198 -15.926 -9.361 1.00 0.00 N ATOM 229 CA LYS A 16 4.654 -15.846 -10.712 1.00 0.00 C ATOM 230 C LYS A 16 4.622 -14.401 -11.200 1.00 0.00 C ATOM 231 O LYS A 16 5.092 -14.097 -12.296 1.00 0.00 O ATOM 232 CB LYS A 16 3.245 -16.441 -10.753 1.00 0.00 C ATOM 233 CG LYS A 16 2.561 -16.292 -12.101 1.00 0.00 C ATOM 234 CD LYS A 16 3.300 -17.053 -13.189 1.00 0.00 C ATOM 235 CE LYS A 16 3.042 -18.549 -13.096 1.00 0.00 C ATOM 236 NZ LYS A 16 4.305 -19.320 -12.923 1.00 0.00 N ATOM 0 H LYS A 16 4.541 -16.275 -8.663 1.00 0.00 H new ATOM 0 HA LYS A 16 5.303 -16.420 -11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.299 -17.499 -10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.634 -15.959 -9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.536 -16.657 -12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.506 -15.236 -12.367 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.986 -16.689 -14.167 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.370 -16.861 -13.106 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.375 -18.751 -12.258 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.531 -18.886 -13.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.087 -20.335 -12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.931 -19.147 -13.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.780 -19.017 -12.049 1.00 0.00 H new ATOM 250 N GLU A 17 4.067 -13.516 -10.379 1.00 0.00 N ATOM 251 CA GLU A 17 3.975 -12.103 -10.729 1.00 0.00 C ATOM 252 C GLU A 17 5.363 -11.497 -10.912 1.00 0.00 C ATOM 253 O GLU A 17 5.600 -10.734 -11.848 1.00 0.00 O ATOM 254 CB GLU A 17 3.210 -11.336 -9.649 1.00 0.00 C ATOM 255 CG GLU A 17 1.718 -11.229 -9.919 1.00 0.00 C ATOM 256 CD GLU A 17 1.163 -9.857 -9.590 1.00 0.00 C ATOM 257 OE1 GLU A 17 1.810 -8.852 -9.949 1.00 0.00 O ATOM 258 OE2 GLU A 17 0.079 -9.789 -8.972 1.00 0.00 O ATOM 0 H GLU A 17 3.674 -13.752 -9.468 1.00 0.00 H new ATOM 0 HA GLU A 17 3.435 -12.023 -11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.362 -11.829 -8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.628 -10.333 -9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.525 -11.453 -10.968 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.191 -11.981 -9.331 1.00 0.00 H new ATOM 265 N ALA A 18 6.277 -11.841 -10.010 1.00 0.00 N ATOM 266 CA ALA A 18 7.641 -11.333 -10.072 1.00 0.00 C ATOM 267 C ALA A 18 8.324 -11.748 -11.371 1.00 0.00 C ATOM 268 O ALA A 18 8.920 -10.923 -12.062 1.00 0.00 O ATOM 269 CB ALA A 18 8.441 -11.821 -8.873 1.00 0.00 C ATOM 0 H ALA A 18 6.097 -12.470 -9.227 1.00 0.00 H new ATOM 0 HA ALA A 18 7.598 -10.244 -10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.458 -11.434 -8.932 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.972 -11.469 -7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.467 -12.911 -8.872 1.00 0.00 H new ATOM 275 N HIS A 19 8.233 -13.034 -11.696 1.00 0.00 N ATOM 276 CA HIS A 19 8.842 -13.559 -12.913 1.00 0.00 C ATOM 277 C HIS A 19 8.194 -12.949 -14.152 1.00 0.00 C ATOM 278 O HIS A 19 8.863 -12.698 -15.154 1.00 0.00 O ATOM 279 CB HIS A 19 8.716 -15.083 -12.955 1.00 0.00 C ATOM 280 CG HIS A 19 9.653 -15.735 -13.924 1.00 0.00 C ATOM 281 ND1 HIS A 19 9.341 -16.887 -14.614 1.00 0.00 N ATOM 282 CD2 HIS A 19 10.902 -15.389 -14.317 1.00 0.00 C ATOM 283 CE1 HIS A 19 10.357 -17.222 -15.389 1.00 0.00 C ATOM 284 NE2 HIS A 19 11.317 -16.329 -15.227 1.00 0.00 N ATOM 0 H HIS A 19 7.744 -13.731 -11.134 1.00 0.00 H new ATOM 0 HA HIS A 19 9.898 -13.289 -12.907 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.902 -15.482 -11.958 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.692 -15.348 -13.219 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.466 -14.533 -13.978 1.00 0.00 H new ATOM 0 HE1 HIS A 19 10.396 -18.080 -16.044 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.220 -16.337 -15.701 1.00 0.00 H new ATOM 292 N GLU A 20 6.888 -12.714 -14.076 1.00 0.00 N ATOM 293 CA GLU A 20 6.150 -12.135 -15.193 1.00 0.00 C ATOM 294 C GLU A 20 6.635 -10.718 -15.489 1.00 0.00 C ATOM 295 O GLU A 20 6.896 -10.369 -16.641 1.00 0.00 O ATOM 296 CB GLU A 20 4.651 -12.119 -14.889 1.00 0.00 C ATOM 297 CG GLU A 20 3.792 -11.729 -16.081 1.00 0.00 C ATOM 298 CD GLU A 20 3.288 -10.301 -15.994 1.00 0.00 C ATOM 299 OE1 GLU A 20 2.461 -10.016 -15.103 1.00 0.00 O ATOM 300 OE2 GLU A 20 3.722 -9.469 -16.819 1.00 0.00 O ATOM 0 H GLU A 20 6.319 -12.915 -13.253 1.00 0.00 H new ATOM 0 HA GLU A 20 6.328 -12.753 -16.073 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.349 -13.107 -14.542 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.462 -11.422 -14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.371 -11.851 -16.997 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.941 -12.407 -16.149 1.00 0.00 H new ATOM 307 N ILE A 21 6.753 -9.909 -14.442 1.00 0.00 N ATOM 308 CA ILE A 21 7.207 -8.531 -14.590 1.00 0.00 C ATOM 309 C ILE A 21 8.656 -8.478 -15.061 1.00 0.00 C ATOM 310 O ILE A 21 9.004 -7.697 -15.947 1.00 0.00 O ATOM 311 CB ILE A 21 7.079 -7.752 -13.268 1.00 0.00 C ATOM 312 CG1 ILE A 21 5.628 -7.759 -12.784 1.00 0.00 C ATOM 313 CG2 ILE A 21 7.577 -6.325 -13.443 1.00 0.00 C ATOM 314 CD1 ILE A 21 5.476 -7.409 -11.320 1.00 0.00 C ATOM 0 H ILE A 21 6.541 -10.183 -13.483 1.00 0.00 H new ATOM 0 HA ILE A 21 6.567 -8.066 -15.340 1.00 0.00 H new ATOM 0 HB ILE A 21 7.696 -8.242 -12.515 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.052 -7.051 -13.380 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.200 -8.746 -12.959 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.480 -5.787 -12.500 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.624 -6.340 -13.746 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.984 -5.824 -14.209 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.421 -7.434 -11.048 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.024 -8.131 -10.715 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.873 -6.410 -11.142 1.00 0.00 H new ATOM 326 N VAL A 22 9.498 -9.314 -14.463 1.00 0.00 N ATOM 327 CA VAL A 22 10.910 -9.365 -14.823 1.00 0.00 C ATOM 328 C VAL A 22 11.096 -9.867 -16.250 1.00 0.00 C ATOM 329 O VAL A 22 11.917 -9.342 -17.002 1.00 0.00 O ATOM 330 CB VAL A 22 11.702 -10.273 -13.863 1.00 0.00 C ATOM 331 CG1 VAL A 22 13.166 -10.336 -14.273 1.00 0.00 C ATOM 332 CG2 VAL A 22 11.562 -9.784 -12.430 1.00 0.00 C ATOM 0 H VAL A 22 9.227 -9.966 -13.727 1.00 0.00 H new ATOM 0 HA VAL A 22 11.293 -8.347 -14.747 1.00 0.00 H new ATOM 0 HB VAL A 22 11.290 -11.280 -13.921 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.710 -10.982 -13.583 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.244 -10.737 -15.284 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.595 -9.334 -14.246 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.128 -10.437 -11.766 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.947 -8.767 -12.353 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.511 -9.797 -12.142 1.00 0.00 H new ATOM 342 N SER A 23 10.327 -10.887 -16.617 1.00 0.00 N ATOM 343 CA SER A 23 10.409 -11.464 -17.954 1.00 0.00 C ATOM 344 C SER A 23 9.910 -10.475 -19.003 1.00 0.00 C ATOM 345 O SER A 23 10.533 -10.294 -20.050 1.00 0.00 O ATOM 346 CB SER A 23 9.594 -12.756 -18.026 1.00 0.00 C ATOM 347 OG SER A 23 10.327 -13.851 -17.506 1.00 0.00 O ATOM 0 H SER A 23 9.640 -11.331 -16.007 1.00 0.00 H new ATOM 0 HA SER A 23 11.455 -11.691 -18.162 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.667 -12.636 -17.466 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.318 -12.958 -19.061 1.00 0.00 H new ATOM 0 HG SER A 23 10.173 -13.919 -16.541 1.00 0.00 H new ATOM 353 N LYS A 24 8.780 -9.837 -18.716 1.00 0.00 N ATOM 354 CA LYS A 24 8.195 -8.865 -19.632 1.00 0.00 C ATOM 355 C LYS A 24 9.098 -7.644 -19.778 1.00 0.00 C ATOM 356 O LYS A 24 9.354 -7.179 -20.889 1.00 0.00 O ATOM 357 CB LYS A 24 6.813 -8.434 -19.137 1.00 0.00 C ATOM 358 CG LYS A 24 5.727 -9.465 -19.393 1.00 0.00 C ATOM 359 CD LYS A 24 5.531 -9.710 -20.880 1.00 0.00 C ATOM 360 CE LYS A 24 4.086 -9.488 -21.297 1.00 0.00 C ATOM 361 NZ LYS A 24 3.689 -10.379 -22.421 1.00 0.00 N ATOM 0 H LYS A 24 8.251 -9.976 -17.855 1.00 0.00 H new ATOM 0 HA LYS A 24 8.093 -9.339 -20.608 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.866 -8.232 -18.067 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.537 -7.499 -19.624 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.989 -10.401 -18.900 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.790 -9.125 -18.953 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.181 -9.044 -21.448 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.828 -10.730 -21.124 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.431 -9.666 -20.444 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.949 -8.448 -21.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.697 -10.196 -22.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.297 -10.192 -23.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.795 -11.372 -22.131 1.00 0.00 H new ATOM 375 N ALA A 25 9.578 -7.130 -18.651 1.00 0.00 N ATOM 376 CA ALA A 25 10.454 -5.965 -18.654 1.00 0.00 C ATOM 377 C ALA A 25 11.756 -6.260 -19.392 1.00 0.00 C ATOM 378 O ALA A 25 12.241 -5.436 -20.167 1.00 0.00 O ATOM 379 CB ALA A 25 10.743 -5.518 -17.229 1.00 0.00 C ATOM 0 H ALA A 25 9.375 -7.502 -17.723 1.00 0.00 H new ATOM 0 HA ALA A 25 9.943 -5.158 -19.179 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.398 -4.647 -17.247 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.808 -5.259 -16.732 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.230 -6.328 -16.685 1.00 0.00 H new ATOM 385 N ARG A 26 12.316 -7.440 -19.146 1.00 0.00 N ATOM 386 CA ARG A 26 13.563 -7.842 -19.786 1.00 0.00 C ATOM 387 C ARG A 26 13.362 -8.052 -21.284 1.00 0.00 C ATOM 388 O ARG A 26 14.193 -7.646 -22.097 1.00 0.00 O ATOM 389 CB ARG A 26 14.098 -9.125 -19.148 1.00 0.00 C ATOM 390 CG ARG A 26 15.545 -9.424 -19.502 1.00 0.00 C ATOM 391 CD ARG A 26 16.504 -8.544 -18.715 1.00 0.00 C ATOM 392 NE ARG A 26 16.926 -9.174 -17.467 1.00 0.00 N ATOM 393 CZ ARG A 26 17.561 -8.528 -16.496 1.00 0.00 C ATOM 394 NH1 ARG A 26 17.847 -7.240 -16.628 1.00 0.00 N ATOM 395 NH2 ARG A 26 17.912 -9.170 -15.389 1.00 0.00 N ATOM 0 H ARG A 26 11.926 -8.134 -18.508 1.00 0.00 H new ATOM 0 HA ARG A 26 14.290 -7.043 -19.643 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.007 -9.047 -18.065 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.476 -9.963 -19.461 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.761 -10.473 -19.298 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.699 -9.268 -20.570 1.00 0.00 H new ATOM 0 HD2 ARG A 26 17.380 -8.326 -19.326 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.024 -7.590 -18.495 1.00 0.00 H new ATOM 0 HE ARG A 26 16.722 -10.164 -17.334 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.579 -6.743 -17.477 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.335 -6.747 -15.880 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.694 -10.161 -15.283 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.400 -8.673 -14.644 1.00 0.00 H new ATOM 409 N LYS A 27 12.253 -8.689 -21.644 1.00 0.00 N ATOM 410 CA LYS A 27 11.940 -8.953 -23.043 1.00 0.00 C ATOM 411 C LYS A 27 11.745 -7.650 -23.812 1.00 0.00 C ATOM 412 O LYS A 27 12.271 -7.484 -24.913 1.00 0.00 O ATOM 413 CB LYS A 27 10.681 -9.815 -23.152 1.00 0.00 C ATOM 414 CG LYS A 27 10.204 -10.018 -24.580 1.00 0.00 C ATOM 415 CD LYS A 27 9.155 -11.114 -24.668 1.00 0.00 C ATOM 416 CE LYS A 27 7.761 -10.576 -24.383 1.00 0.00 C ATOM 417 NZ LYS A 27 6.700 -11.480 -24.906 1.00 0.00 N ATOM 0 H LYS A 27 11.555 -9.033 -20.985 1.00 0.00 H new ATOM 0 HA LYS A 27 12.780 -9.491 -23.482 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.877 -10.788 -22.702 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.882 -9.351 -22.574 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.789 -9.085 -24.962 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.052 -10.273 -25.215 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.177 -11.561 -25.662 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.393 -11.905 -23.957 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.633 -10.450 -23.308 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.653 -9.590 -24.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.765 -11.078 -24.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.806 -11.580 -25.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.787 -12.414 -24.456 1.00 0.00 H new ATOM 431 N TYR A 28 10.989 -6.730 -23.225 1.00 0.00 N ATOM 432 CA TYR A 28 10.725 -5.442 -23.856 1.00 0.00 C ATOM 433 C TYR A 28 11.992 -4.595 -23.918 1.00 0.00 C ATOM 434 O TYR A 28 12.255 -3.924 -24.916 1.00 0.00 O ATOM 435 CB TYR A 28 9.633 -4.691 -23.091 1.00 0.00 C ATOM 436 CG TYR A 28 8.743 -3.849 -23.977 1.00 0.00 C ATOM 437 CD1 TYR A 28 9.227 -2.700 -24.590 1.00 0.00 C ATOM 438 CD2 TYR A 28 7.418 -4.203 -24.201 1.00 0.00 C ATOM 439 CE1 TYR A 28 8.417 -1.927 -25.401 1.00 0.00 C ATOM 440 CE2 TYR A 28 6.602 -3.437 -25.011 1.00 0.00 C ATOM 441 CZ TYR A 28 7.105 -2.301 -25.608 1.00 0.00 C ATOM 442 OH TYR A 28 6.295 -1.535 -26.414 1.00 0.00 O ATOM 0 H TYR A 28 10.548 -6.852 -22.313 1.00 0.00 H new ATOM 0 HA TYR A 28 10.385 -5.628 -24.875 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.018 -5.411 -22.552 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.100 -4.049 -22.344 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.254 -2.406 -24.430 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.020 -5.092 -23.734 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.809 -1.036 -25.870 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.575 -3.727 -25.176 1.00 0.00 H new ATOM 0 HH TYR A 28 5.402 -1.936 -26.456 1.00 0.00 H new ATOM 452 N ARG A 29 12.775 -4.634 -22.844 1.00 0.00 N ATOM 453 CA ARG A 29 14.015 -3.870 -22.775 1.00 0.00 C ATOM 454 C ARG A 29 15.028 -4.385 -23.794 1.00 0.00 C ATOM 455 O ARG A 29 15.671 -3.603 -24.493 1.00 0.00 O ATOM 456 CB ARG A 29 14.608 -3.946 -21.367 1.00 0.00 C ATOM 457 CG ARG A 29 13.899 -3.056 -20.359 1.00 0.00 C ATOM 458 CD ARG A 29 14.794 -1.917 -19.896 1.00 0.00 C ATOM 459 NE ARG A 29 15.370 -2.175 -18.579 1.00 0.00 N ATOM 460 CZ ARG A 29 16.282 -1.395 -18.010 1.00 0.00 C ATOM 461 NH1 ARG A 29 16.720 -0.313 -18.640 1.00 0.00 N ATOM 462 NH2 ARG A 29 16.758 -1.696 -16.809 1.00 0.00 N ATOM 0 H ARG A 29 12.573 -5.186 -22.011 1.00 0.00 H new ATOM 0 HA ARG A 29 13.786 -2.831 -23.010 1.00 0.00 H new ATOM 0 HB2 ARG A 29 14.567 -4.978 -21.020 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.660 -3.666 -21.409 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.992 -2.649 -20.806 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.591 -3.651 -19.499 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.596 -1.769 -20.620 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.217 -0.992 -19.865 1.00 0.00 H new ATOM 0 HE ARG A 29 15.055 -3.000 -18.068 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.356 -0.078 -19.564 1.00 0.00 H new ATOM 0 HH12 ARG A 29 17.420 0.284 -18.201 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.424 -2.527 -16.322 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.458 -1.096 -16.373 1.00 0.00 H new ATOM 476 N GLN A 30 15.164 -5.705 -23.870 1.00 0.00 N ATOM 477 CA GLN A 30 16.099 -6.324 -24.802 1.00 0.00 C ATOM 478 C GLN A 30 15.661 -6.096 -26.245 1.00 0.00 C ATOM 479 O GLN A 30 16.473 -5.752 -27.103 1.00 0.00 O ATOM 480 CB GLN A 30 16.214 -7.823 -24.522 1.00 0.00 C ATOM 481 CG GLN A 30 17.388 -8.187 -23.627 1.00 0.00 C ATOM 482 CD GLN A 30 18.652 -8.477 -24.412 1.00 0.00 C ATOM 483 OE1 GLN A 30 18.731 -9.468 -25.140 1.00 0.00 O ATOM 484 NE2 GLN A 30 19.650 -7.613 -24.269 1.00 0.00 N ATOM 0 H GLN A 30 14.639 -6.366 -23.298 1.00 0.00 H new ATOM 0 HA GLN A 30 17.075 -5.859 -24.660 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.292 -8.169 -24.056 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.311 -8.355 -25.469 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.577 -7.370 -22.931 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.127 -9.061 -23.030 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.541 -6.805 -23.655 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.525 -7.757 -24.773 1.00 0.00 H new ATOM 493 N ASP A 31 14.373 -6.291 -26.504 1.00 0.00 N ATOM 494 CA ASP A 31 13.826 -6.106 -27.843 1.00 0.00 C ATOM 495 C ASP A 31 13.915 -4.644 -28.270 1.00 0.00 C ATOM 496 O ASP A 31 14.237 -4.339 -29.418 1.00 0.00 O ATOM 497 CB ASP A 31 12.372 -6.576 -27.893 1.00 0.00 C ATOM 498 CG ASP A 31 11.698 -6.237 -29.208 1.00 0.00 C ATOM 499 OD1 ASP A 31 12.084 -6.824 -30.241 1.00 0.00 O ATOM 500 OD2 ASP A 31 10.786 -5.384 -29.205 1.00 0.00 O ATOM 0 H ASP A 31 13.688 -6.577 -25.804 1.00 0.00 H new ATOM 0 HA ASP A 31 14.418 -6.705 -28.535 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.336 -7.654 -27.737 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.817 -6.117 -27.075 1.00 0.00 H new ATOM 505 N LYS A 32 13.628 -3.742 -27.337 1.00 0.00 N ATOM 506 CA LYS A 32 13.676 -2.312 -27.614 1.00 0.00 C ATOM 507 C LYS A 32 15.106 -1.859 -27.893 1.00 0.00 C ATOM 508 O LYS A 32 15.364 -1.146 -28.864 1.00 0.00 O ATOM 509 CB LYS A 32 13.101 -1.523 -26.435 1.00 0.00 C ATOM 510 CG LYS A 32 13.092 -0.020 -26.655 1.00 0.00 C ATOM 511 CD LYS A 32 14.010 0.692 -25.677 1.00 0.00 C ATOM 512 CE LYS A 32 13.270 1.096 -24.411 1.00 0.00 C ATOM 513 NZ LYS A 32 12.743 2.486 -24.496 1.00 0.00 N ATOM 0 H LYS A 32 13.359 -3.977 -26.381 1.00 0.00 H new ATOM 0 HA LYS A 32 13.073 -2.119 -28.501 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.082 -1.860 -26.246 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.682 -1.747 -25.541 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.404 0.201 -27.676 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.076 0.359 -26.544 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.845 0.040 -25.419 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.432 1.578 -26.151 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.445 0.405 -24.236 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.941 1.014 -23.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.245 2.723 -23.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.532 3.148 -24.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.083 2.559 -25.296 1.00 0.00 H new ATOM 527 N LEU A 33 16.031 -2.277 -27.038 1.00 0.00 N ATOM 528 CA LEU A 33 17.436 -1.916 -27.193 1.00 0.00 C ATOM 529 C LEU A 33 18.029 -2.559 -28.443 1.00 0.00 C ATOM 530 O LEU A 33 18.813 -1.939 -29.161 1.00 0.00 O ATOM 531 CB LEU A 33 18.233 -2.343 -25.959 1.00 0.00 C ATOM 532 CG LEU A 33 17.906 -1.604 -24.661 1.00 0.00 C ATOM 533 CD1 LEU A 33 18.340 -2.425 -23.456 1.00 0.00 C ATOM 534 CD2 LEU A 33 18.572 -0.236 -24.644 1.00 0.00 C ATOM 0 H LEU A 33 15.834 -2.867 -26.229 1.00 0.00 H new ATOM 0 HA LEU A 33 17.497 -0.833 -27.300 1.00 0.00 H new ATOM 0 HB2 LEU A 33 18.071 -3.409 -25.798 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.294 -2.210 -26.172 1.00 0.00 H new ATOM 0 HG LEU A 33 16.827 -1.461 -24.608 1.00 0.00 H new ATOM 0 HD11 LEU A 33 18.099 -1.884 -22.541 1.00 0.00 H new ATOM 0 HD12 LEU A 33 17.817 -3.381 -23.460 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.415 -2.599 -23.503 1.00 0.00 H new ATOM 0 HD21 LEU A 33 18.328 0.276 -23.713 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.653 -0.356 -24.720 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.213 0.354 -25.487 1.00 0.00 H new ATOM 546 N LYS A 34 17.648 -3.807 -28.697 1.00 0.00 N ATOM 547 CA LYS A 34 18.138 -4.534 -29.862 1.00 0.00 C ATOM 548 C LYS A 34 17.668 -3.873 -31.154 1.00 0.00 C ATOM 549 O LYS A 34 18.468 -3.609 -32.052 1.00 0.00 O ATOM 550 CB LYS A 34 17.662 -5.988 -29.818 1.00 0.00 C ATOM 551 CG LYS A 34 18.512 -6.880 -28.931 1.00 0.00 C ATOM 552 CD LYS A 34 17.735 -8.095 -28.453 1.00 0.00 C ATOM 553 CE LYS A 34 18.527 -9.378 -28.654 1.00 0.00 C ATOM 554 NZ LYS A 34 17.637 -10.552 -28.870 1.00 0.00 N ATOM 0 H LYS A 34 17.001 -4.336 -28.111 1.00 0.00 H new ATOM 0 HA LYS A 34 19.228 -4.513 -29.840 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.632 -6.013 -29.464 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.661 -6.392 -30.830 1.00 0.00 H new ATOM 0 HG2 LYS A 34 19.395 -7.205 -29.480 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.863 -6.310 -28.071 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.490 -7.979 -27.397 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.791 -8.160 -28.994 1.00 0.00 H new ATOM 0 HE2 LYS A 34 19.192 -9.264 -29.510 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.157 -9.556 -27.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.215 -11.406 -29.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.020 -10.677 -28.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.053 -10.394 -29.716 1.00 0.00 H new ATOM 568 N GLN A 35 16.369 -3.608 -31.239 1.00 0.00 N ATOM 569 CA GLN A 35 15.795 -2.976 -32.421 1.00 0.00 C ATOM 570 C GLN A 35 16.279 -1.537 -32.559 1.00 0.00 C ATOM 571 O GLN A 35 16.533 -1.060 -33.665 1.00 0.00 O ATOM 572 CB GLN A 35 14.267 -3.009 -32.351 1.00 0.00 C ATOM 573 CG GLN A 35 13.590 -2.651 -33.665 1.00 0.00 C ATOM 574 CD GLN A 35 12.482 -1.632 -33.492 1.00 0.00 C ATOM 575 OE1 GLN A 35 11.349 -1.851 -33.922 1.00 0.00 O ATOM 576 NE2 GLN A 35 12.803 -0.509 -32.860 1.00 0.00 N ATOM 0 H GLN A 35 15.694 -3.821 -30.504 1.00 0.00 H new ATOM 0 HA GLN A 35 16.124 -3.535 -33.297 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.947 -4.005 -32.047 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.932 -2.317 -31.579 1.00 0.00 H new ATOM 0 HG2 GLN A 35 14.334 -2.258 -34.358 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.180 -3.555 -34.116 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.754 -0.369 -32.520 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.098 0.214 -32.714 1.00 0.00 H new ATOM 585 N ALA A 36 16.404 -0.849 -31.429 1.00 0.00 N ATOM 586 CA ALA A 36 16.860 0.536 -31.424 1.00 0.00 C ATOM 587 C ALA A 36 18.293 0.644 -31.934 1.00 0.00 C ATOM 588 O ALA A 36 18.605 1.500 -32.762 1.00 0.00 O ATOM 589 CB ALA A 36 16.750 1.122 -30.024 1.00 0.00 C ATOM 0 H ALA A 36 16.196 -1.228 -30.505 1.00 0.00 H new ATOM 0 HA ALA A 36 16.219 1.106 -32.096 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.094 2.156 -30.034 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.711 1.088 -29.696 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.366 0.542 -29.337 1.00 0.00 H new ATOM 595 N LYS A 37 19.161 -0.228 -31.434 1.00 0.00 N ATOM 596 CA LYS A 37 20.562 -0.232 -31.840 1.00 0.00 C ATOM 597 C LYS A 37 20.691 -0.411 -33.349 1.00 0.00 C ATOM 598 O LYS A 37 21.426 0.323 -34.011 1.00 0.00 O ATOM 599 CB LYS A 37 21.321 -1.347 -31.116 1.00 0.00 C ATOM 600 CG LYS A 37 22.314 -0.837 -30.086 1.00 0.00 C ATOM 601 CD LYS A 37 21.625 -0.036 -28.995 1.00 0.00 C ATOM 602 CE LYS A 37 22.600 0.371 -27.901 1.00 0.00 C ATOM 603 NZ LYS A 37 23.317 1.632 -28.238 1.00 0.00 N ATOM 0 H LYS A 37 18.919 -0.942 -30.747 1.00 0.00 H new ATOM 0 HA LYS A 37 20.996 0.730 -31.568 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.603 -2.003 -30.623 1.00 0.00 H new ATOM 0 HB3 LYS A 37 21.852 -1.951 -31.852 1.00 0.00 H new ATOM 0 HG2 LYS A 37 22.843 -1.680 -29.641 1.00 0.00 H new ATOM 0 HG3 LYS A 37 23.062 -0.215 -30.578 1.00 0.00 H new ATOM 0 HD2 LYS A 37 21.170 0.855 -29.428 1.00 0.00 H new ATOM 0 HD3 LYS A 37 20.818 -0.627 -28.563 1.00 0.00 H new ATOM 0 HE2 LYS A 37 22.060 0.500 -26.963 1.00 0.00 H new ATOM 0 HE3 LYS A 37 23.325 -0.428 -27.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 23.972 1.875 -27.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 23.853 1.502 -29.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 22.628 2.401 -28.362 1.00 0.00 H new ATOM 617 N THR A 38 19.972 -1.390 -33.888 1.00 0.00 N ATOM 618 CA THR A 38 20.006 -1.665 -35.319 1.00 0.00 C ATOM 619 C THR A 38 19.541 -0.456 -36.122 1.00 0.00 C ATOM 620 O THR A 38 20.153 -0.094 -37.128 1.00 0.00 O ATOM 621 CB THR A 38 19.125 -2.876 -35.680 1.00 0.00 C ATOM 622 OG1 THR A 38 19.408 -3.967 -34.797 1.00 0.00 O ATOM 623 CG2 THR A 38 19.362 -3.307 -37.119 1.00 0.00 C ATOM 0 H THR A 38 19.359 -2.006 -33.355 1.00 0.00 H new ATOM 0 HA THR A 38 21.042 -1.890 -35.573 1.00 0.00 H new ATOM 0 HB THR A 38 18.081 -2.583 -35.573 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.953 -3.822 -33.941 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.729 -4.164 -37.351 1.00 0.00 H new ATOM 0 HG22 THR A 38 19.119 -2.483 -37.790 1.00 0.00 H new ATOM 0 HG23 THR A 38 20.408 -3.583 -37.248 1.00 0.00 H new ATOM 631 N ASP A 39 18.457 0.166 -35.673 1.00 0.00 N ATOM 632 CA ASP A 39 17.912 1.337 -36.349 1.00 0.00 C ATOM 633 C ASP A 39 18.936 2.467 -36.391 1.00 0.00 C ATOM 634 O ASP A 39 19.120 3.113 -37.422 1.00 0.00 O ATOM 635 CB ASP A 39 16.639 1.812 -35.646 1.00 0.00 C ATOM 636 CG ASP A 39 15.418 1.011 -36.057 1.00 0.00 C ATOM 637 OD1 ASP A 39 15.407 0.487 -37.190 1.00 0.00 O ATOM 638 OD2 ASP A 39 14.474 0.910 -35.245 1.00 0.00 O ATOM 0 H ASP A 39 17.938 -0.121 -34.843 1.00 0.00 H new ATOM 0 HA ASP A 39 17.669 1.054 -37.373 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.773 1.736 -34.567 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.473 2.865 -35.874 1.00 0.00 H new ATOM 643 N ALA A 40 19.598 2.701 -35.263 1.00 0.00 N ATOM 644 CA ALA A 40 20.604 3.752 -35.171 1.00 0.00 C ATOM 645 C ALA A 40 21.770 3.480 -36.115 1.00 0.00 C ATOM 646 O ALA A 40 22.218 4.371 -36.836 1.00 0.00 O ATOM 647 CB ALA A 40 21.101 3.883 -33.739 1.00 0.00 C ATOM 0 H ALA A 40 19.456 2.177 -34.400 1.00 0.00 H new ATOM 0 HA ALA A 40 20.140 4.692 -35.470 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.852 4.671 -33.685 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.265 4.132 -33.085 1.00 0.00 H new ATOM 0 HB3 ALA A 40 21.543 2.939 -33.419 1.00 0.00 H new ATOM 653 N ALA A 41 22.257 2.243 -36.105 1.00 0.00 N ATOM 654 CA ALA A 41 23.370 1.854 -36.962 1.00 0.00 C ATOM 655 C ALA A 41 23.032 2.069 -38.433 1.00 0.00 C ATOM 656 O ALA A 41 23.835 2.613 -39.192 1.00 0.00 O ATOM 657 CB ALA A 41 23.745 0.401 -36.712 1.00 0.00 C ATOM 0 H ALA A 41 21.898 1.494 -35.513 1.00 0.00 H new ATOM 0 HA ALA A 41 24.223 2.486 -36.716 1.00 0.00 H new ATOM 0 HB1 ALA A 41 24.578 0.124 -37.359 1.00 0.00 H new ATOM 0 HB2 ALA A 41 24.038 0.275 -35.670 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.889 -0.238 -36.928 1.00 0.00 H new ATOM 663 N LYS A 42 21.839 1.639 -38.830 1.00 0.00 N ATOM 664 CA LYS A 42 21.394 1.785 -40.211 1.00 0.00 C ATOM 665 C LYS A 42 21.178 3.254 -40.561 1.00 0.00 C ATOM 666 O LYS A 42 21.408 3.671 -41.695 1.00 0.00 O ATOM 667 CB LYS A 42 20.100 1.001 -40.437 1.00 0.00 C ATOM 668 CG LYS A 42 20.324 -0.474 -40.725 1.00 0.00 C ATOM 669 CD LYS A 42 19.187 -1.062 -41.543 1.00 0.00 C ATOM 670 CE LYS A 42 18.150 -1.732 -40.654 1.00 0.00 C ATOM 671 NZ LYS A 42 16.765 -1.310 -41.003 1.00 0.00 N ATOM 0 H LYS A 42 21.163 1.186 -38.215 1.00 0.00 H new ATOM 0 HA LYS A 42 22.172 1.385 -40.861 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.467 1.098 -39.555 1.00 0.00 H new ATOM 0 HB3 LYS A 42 19.556 1.447 -41.270 1.00 0.00 H new ATOM 0 HG2 LYS A 42 21.264 -0.602 -41.262 1.00 0.00 H new ATOM 0 HG3 LYS A 42 20.417 -1.019 -39.786 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.712 -0.274 -42.127 1.00 0.00 H new ATOM 0 HD3 LYS A 42 19.585 -1.789 -42.251 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.235 -2.815 -40.749 1.00 0.00 H new ATOM 0 HE3 LYS A 42 18.353 -1.487 -39.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.088 -1.788 -40.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.676 -0.280 -40.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.562 -1.567 -41.990 1.00 0.00 H new ATOM 685 N GLU A 43 20.736 4.033 -39.578 1.00 0.00 N ATOM 686 CA GLU A 43 20.491 5.456 -39.783 1.00 0.00 C ATOM 687 C GLU A 43 21.793 6.196 -40.075 1.00 0.00 C ATOM 688 O GLU A 43 21.863 7.011 -40.996 1.00 0.00 O ATOM 689 CB GLU A 43 19.811 6.061 -38.554 1.00 0.00 C ATOM 690 CG GLU A 43 19.288 7.470 -38.779 1.00 0.00 C ATOM 691 CD GLU A 43 19.493 8.368 -37.574 1.00 0.00 C ATOM 692 OE1 GLU A 43 20.643 8.468 -37.098 1.00 0.00 O ATOM 693 OE2 GLU A 43 18.504 8.970 -37.108 1.00 0.00 O ATOM 0 H GLU A 43 20.541 3.703 -38.633 1.00 0.00 H new ATOM 0 HA GLU A 43 19.831 5.565 -40.644 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.983 5.419 -38.254 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.520 6.074 -37.726 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.790 7.906 -39.642 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.225 7.425 -39.018 1.00 0.00 H new ATOM 700 N ILE A 44 22.821 5.907 -39.284 1.00 0.00 N ATOM 701 CA ILE A 44 24.120 6.544 -39.457 1.00 0.00 C ATOM 702 C ILE A 44 24.800 6.069 -40.736 1.00 0.00 C ATOM 703 O ILE A 44 25.373 6.865 -41.480 1.00 0.00 O ATOM 704 CB ILE A 44 25.049 6.263 -38.261 1.00 0.00 C ATOM 705 CG1 ILE A 44 24.387 6.713 -36.957 1.00 0.00 C ATOM 706 CG2 ILE A 44 26.385 6.964 -38.452 1.00 0.00 C ATOM 707 CD1 ILE A 44 25.080 6.193 -35.717 1.00 0.00 C ATOM 0 H ILE A 44 22.779 5.236 -38.517 1.00 0.00 H new ATOM 0 HA ILE A 44 23.938 7.617 -39.522 1.00 0.00 H new ATOM 0 HB ILE A 44 25.229 5.190 -38.204 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.371 7.802 -36.924 1.00 0.00 H new ATOM 0 HG13 ILE A 44 23.350 6.378 -36.951 1.00 0.00 H new ATOM 0 HG21 ILE A 44 27.030 6.756 -37.599 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.860 6.600 -39.363 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.224 8.039 -38.531 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.557 6.551 -34.830 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.073 5.103 -35.726 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.110 6.549 -35.699 1.00 0.00 H new ATOM 719 N ASP A 45 24.730 4.766 -40.987 1.00 0.00 N ATOM 720 CA ASP A 45 25.336 4.183 -42.179 1.00 0.00 C ATOM 721 C ASP A 45 24.637 4.678 -43.441 1.00 0.00 C ATOM 722 O ASP A 45 25.287 5.075 -44.408 1.00 0.00 O ATOM 723 CB ASP A 45 25.276 2.656 -42.113 1.00 0.00 C ATOM 724 CG ASP A 45 26.380 1.999 -42.918 1.00 0.00 C ATOM 725 OD1 ASP A 45 27.317 2.712 -43.335 1.00 0.00 O ATOM 726 OD2 ASP A 45 26.306 0.771 -43.131 1.00 0.00 O ATOM 0 H ASP A 45 24.260 4.094 -40.381 1.00 0.00 H new ATOM 0 HA ASP A 45 26.379 4.496 -42.217 1.00 0.00 H new ATOM 0 HB2 ASP A 45 25.349 2.337 -41.073 1.00 0.00 H new ATOM 0 HB3 ASP A 45 24.309 2.317 -42.484 1.00 0.00 H new ATOM 731 N SER A 46 23.308 4.650 -43.425 1.00 0.00 N ATOM 732 CA SER A 46 22.520 5.091 -44.571 1.00 0.00 C ATOM 733 C SER A 46 22.684 6.591 -44.797 1.00 0.00 C ATOM 734 O SER A 46 22.761 7.053 -45.936 1.00 0.00 O ATOM 735 CB SER A 46 21.043 4.753 -44.361 1.00 0.00 C ATOM 736 OG SER A 46 20.833 3.352 -44.377 1.00 0.00 O ATOM 0 H SER A 46 22.754 4.327 -42.632 1.00 0.00 H new ATOM 0 HA SER A 46 22.883 4.566 -45.455 1.00 0.00 H new ATOM 0 HB2 SER A 46 20.704 5.164 -43.410 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.445 5.222 -45.142 1.00 0.00 H new ATOM 0 HG SER A 46 20.896 3.001 -43.464 1.00 0.00 H new ATOM 742 N TYR A 47 22.735 7.345 -43.705 1.00 0.00 N ATOM 743 CA TYR A 47 22.887 8.793 -43.783 1.00 0.00 C ATOM 744 C TYR A 47 24.287 9.170 -44.258 1.00 0.00 C ATOM 745 O TYR A 47 24.466 10.140 -44.995 1.00 0.00 O ATOM 746 CB TYR A 47 22.610 9.430 -42.420 1.00 0.00 C ATOM 747 CG TYR A 47 22.666 10.941 -42.435 1.00 0.00 C ATOM 748 CD1 TYR A 47 23.881 11.612 -42.362 1.00 0.00 C ATOM 749 CD2 TYR A 47 21.504 11.698 -42.524 1.00 0.00 C ATOM 750 CE1 TYR A 47 23.937 12.992 -42.375 1.00 0.00 C ATOM 751 CE2 TYR A 47 21.551 13.079 -42.538 1.00 0.00 C ATOM 752 CZ TYR A 47 22.769 13.721 -42.463 1.00 0.00 C ATOM 753 OH TYR A 47 22.821 15.096 -42.478 1.00 0.00 O ATOM 0 H TYR A 47 22.673 6.978 -42.755 1.00 0.00 H new ATOM 0 HA TYR A 47 22.164 9.170 -44.507 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.625 9.115 -42.074 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.336 9.055 -41.699 1.00 0.00 H new ATOM 0 HD1 TYR A 47 24.797 11.044 -42.294 1.00 0.00 H new ATOM 0 HD2 TYR A 47 20.548 11.199 -42.583 1.00 0.00 H new ATOM 0 HE1 TYR A 47 24.890 13.497 -42.317 1.00 0.00 H new ATOM 0 HE2 TYR A 47 20.638 13.652 -42.607 1.00 0.00 H new ATOM 0 HH TYR A 47 21.912 15.457 -42.545 1.00 0.00 H new ATOM 763 N LYS A 48 25.278 8.395 -43.830 1.00 0.00 N ATOM 764 CA LYS A 48 26.663 8.643 -44.211 1.00 0.00 C ATOM 765 C LYS A 48 26.884 8.335 -45.689 1.00 0.00 C ATOM 766 O LYS A 48 27.533 9.102 -46.401 1.00 0.00 O ATOM 767 CB LYS A 48 27.608 7.796 -43.356 1.00 0.00 C ATOM 768 CG LYS A 48 29.069 7.928 -43.751 1.00 0.00 C ATOM 769 CD LYS A 48 29.970 7.114 -42.837 1.00 0.00 C ATOM 770 CE LYS A 48 31.200 6.608 -43.575 1.00 0.00 C ATOM 771 NZ LYS A 48 32.380 6.495 -42.672 1.00 0.00 N ATOM 0 H LYS A 48 25.147 7.589 -43.218 1.00 0.00 H new ATOM 0 HA LYS A 48 26.877 9.698 -44.042 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.495 8.084 -42.311 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.313 6.749 -43.432 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.200 7.597 -44.781 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.364 8.977 -43.714 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.279 7.726 -41.989 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.413 6.269 -42.434 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.985 5.634 -44.015 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.435 7.285 -44.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 33.198 6.147 -43.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 32.601 7.429 -42.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.165 5.830 -41.902 1.00 0.00 H new ATOM 785 N ILE A 49 26.340 7.211 -46.142 1.00 0.00 N ATOM 786 CA ILE A 49 26.477 6.805 -47.535 1.00 0.00 C ATOM 787 C ILE A 49 25.664 7.710 -48.454 1.00 0.00 C ATOM 788 O ILE A 49 26.136 8.120 -49.514 1.00 0.00 O ATOM 789 CB ILE A 49 26.029 5.346 -47.743 1.00 0.00 C ATOM 790 CG1 ILE A 49 26.858 4.405 -46.866 1.00 0.00 C ATOM 791 CG2 ILE A 49 26.152 4.957 -49.209 1.00 0.00 C ATOM 792 CD1 ILE A 49 26.200 3.065 -46.627 1.00 0.00 C ATOM 0 H ILE A 49 25.801 6.566 -45.565 1.00 0.00 H new ATOM 0 HA ILE A 49 27.534 6.891 -47.786 1.00 0.00 H new ATOM 0 HB ILE A 49 24.983 5.258 -47.451 1.00 0.00 H new ATOM 0 HG12 ILE A 49 27.829 4.245 -47.335 1.00 0.00 H new ATOM 0 HG13 ILE A 49 27.043 4.886 -45.906 1.00 0.00 H new ATOM 0 HG21 ILE A 49 25.832 3.923 -49.339 1.00 0.00 H new ATOM 0 HG22 ILE A 49 25.523 5.611 -49.813 1.00 0.00 H new ATOM 0 HG23 ILE A 49 27.190 5.058 -49.526 1.00 0.00 H new ATOM 0 HD11 ILE A 49 26.844 2.450 -45.998 1.00 0.00 H new ATOM 0 HD12 ILE A 49 25.242 3.214 -46.129 1.00 0.00 H new ATOM 0 HD13 ILE A 49 26.039 2.563 -47.581 1.00 0.00 H new ATOM 804 N GLN A 50 24.439 8.018 -48.039 1.00 0.00 N ATOM 805 CA GLN A 50 23.560 8.876 -48.825 1.00 0.00 C ATOM 806 C GLN A 50 24.130 10.287 -48.931 1.00 0.00 C ATOM 807 O GLN A 50 24.141 10.885 -50.008 1.00 0.00 O ATOM 808 CB GLN A 50 22.165 8.922 -48.200 1.00 0.00 C ATOM 809 CG GLN A 50 21.176 9.771 -48.983 1.00 0.00 C ATOM 810 CD GLN A 50 20.425 10.752 -48.103 1.00 0.00 C ATOM 811 OE1 GLN A 50 19.408 10.409 -47.499 1.00 0.00 O ATOM 812 NE2 GLN A 50 20.924 11.980 -48.027 1.00 0.00 N ATOM 0 H GLN A 50 24.033 7.686 -47.164 1.00 0.00 H new ATOM 0 HA GLN A 50 23.487 8.457 -49.829 1.00 0.00 H new ATOM 0 HB2 GLN A 50 21.777 7.906 -48.122 1.00 0.00 H new ATOM 0 HB3 GLN A 50 22.243 9.313 -47.185 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.709 10.320 -49.760 1.00 0.00 H new ATOM 0 HG3 GLN A 50 20.462 9.119 -49.486 1.00 0.00 H new ATOM 0 HE21 GLN A 50 21.769 12.220 -48.545 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.462 12.683 -47.451 1.00 0.00 H new ATOM 821 N LYS A 51 24.600 10.816 -47.807 1.00 0.00 N ATOM 822 CA LYS A 51 25.172 12.157 -47.772 1.00 0.00 C ATOM 823 C LYS A 51 26.497 12.203 -48.527 1.00 0.00 C ATOM 824 O LYS A 51 26.746 13.124 -49.306 1.00 0.00 O ATOM 825 CB LYS A 51 25.382 12.606 -46.324 1.00 0.00 C ATOM 826 CG LYS A 51 25.606 14.102 -46.178 1.00 0.00 C ATOM 827 CD LYS A 51 27.084 14.452 -46.234 1.00 0.00 C ATOM 828 CE LYS A 51 27.648 14.711 -44.846 1.00 0.00 C ATOM 829 NZ LYS A 51 28.901 15.515 -44.898 1.00 0.00 N ATOM 0 H LYS A 51 24.596 10.336 -46.907 1.00 0.00 H new ATOM 0 HA LYS A 51 24.473 12.837 -48.259 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.513 12.318 -45.733 1.00 0.00 H new ATOM 0 HB3 LYS A 51 26.239 12.076 -45.909 1.00 0.00 H new ATOM 0 HG2 LYS A 51 25.076 14.629 -46.971 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.186 14.443 -45.232 1.00 0.00 H new ATOM 0 HD2 LYS A 51 27.634 13.638 -46.705 1.00 0.00 H new ATOM 0 HD3 LYS A 51 27.227 15.335 -46.857 1.00 0.00 H new ATOM 0 HE2 LYS A 51 26.905 15.234 -44.244 1.00 0.00 H new ATOM 0 HE3 LYS A 51 27.847 13.760 -44.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 29.254 15.670 -43.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 29.618 15.004 -45.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.706 16.433 -45.347 1.00 0.00 H new ATOM 843 N ASP A 52 27.341 11.205 -48.292 1.00 0.00 N ATOM 844 CA ASP A 52 28.640 11.131 -48.953 1.00 0.00 C ATOM 845 C ASP A 52 28.475 11.029 -50.466 1.00 0.00 C ATOM 846 O ASP A 52 29.184 11.690 -51.225 1.00 0.00 O ATOM 847 CB ASP A 52 29.433 9.931 -48.432 1.00 0.00 C ATOM 848 CG ASP A 52 30.761 9.762 -49.144 1.00 0.00 C ATOM 849 OD1 ASP A 52 31.661 10.599 -48.925 1.00 0.00 O ATOM 850 OD2 ASP A 52 30.899 8.793 -49.919 1.00 0.00 O ATOM 0 H ASP A 52 27.150 10.436 -47.649 1.00 0.00 H new ATOM 0 HA ASP A 52 29.188 12.045 -48.726 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.610 10.052 -47.363 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.839 9.025 -48.556 1.00 0.00 H new ATOM 855 N LYS A 53 27.535 10.196 -50.899 1.00 0.00 N ATOM 856 CA LYS A 53 27.275 10.007 -52.321 1.00 0.00 C ATOM 857 C LYS A 53 26.649 11.257 -52.931 1.00 0.00 C ATOM 858 O LYS A 53 27.008 11.665 -54.035 1.00 0.00 O ATOM 859 CB LYS A 53 26.353 8.804 -52.537 1.00 0.00 C ATOM 860 CG LYS A 53 26.519 8.147 -53.896 1.00 0.00 C ATOM 861 CD LYS A 53 27.407 6.916 -53.815 1.00 0.00 C ATOM 862 CE LYS A 53 27.304 6.072 -55.076 1.00 0.00 C ATOM 863 NZ LYS A 53 26.087 5.213 -55.071 1.00 0.00 N ATOM 0 H LYS A 53 26.940 9.640 -50.285 1.00 0.00 H new ATOM 0 HA LYS A 53 28.228 9.820 -52.817 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.546 8.065 -51.759 1.00 0.00 H new ATOM 0 HB3 LYS A 53 25.318 9.125 -52.422 1.00 0.00 H new ATOM 0 HG2 LYS A 53 25.541 7.866 -54.287 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.950 8.862 -54.597 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.442 7.222 -53.664 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.122 6.317 -52.950 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.284 6.724 -55.949 1.00 0.00 H new ATOM 0 HE3 LYS A 53 28.191 5.445 -55.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 26.053 4.654 -55.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.117 4.573 -54.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.239 5.812 -55.010 1.00 0.00 H new ATOM 877 N GLU A 54 25.714 11.860 -52.204 1.00 0.00 N ATOM 878 CA GLU A 54 25.040 13.064 -52.675 1.00 0.00 C ATOM 879 C GLU A 54 26.041 14.193 -52.905 1.00 0.00 C ATOM 880 O GLU A 54 25.984 14.892 -53.918 1.00 0.00 O ATOM 881 CB GLU A 54 23.977 13.507 -51.668 1.00 0.00 C ATOM 882 CG GLU A 54 23.310 14.825 -52.026 1.00 0.00 C ATOM 883 CD GLU A 54 22.227 15.217 -51.041 1.00 0.00 C ATOM 884 OE1 GLU A 54 21.285 14.420 -50.847 1.00 0.00 O ATOM 885 OE2 GLU A 54 22.320 16.321 -50.464 1.00 0.00 O ATOM 0 H GLU A 54 25.406 11.535 -51.287 1.00 0.00 H new ATOM 0 HA GLU A 54 24.557 12.832 -53.624 1.00 0.00 H new ATOM 0 HB2 GLU A 54 23.214 12.732 -51.593 1.00 0.00 H new ATOM 0 HB3 GLU A 54 24.437 13.598 -50.684 1.00 0.00 H new ATOM 0 HG2 GLU A 54 24.064 15.611 -52.063 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.878 14.750 -53.024 1.00 0.00 H new ATOM 892 N LEU A 55 26.956 14.366 -51.958 1.00 0.00 N ATOM 893 CA LEU A 55 27.970 15.411 -52.055 1.00 0.00 C ATOM 894 C LEU A 55 29.019 15.055 -53.103 1.00 0.00 C ATOM 895 O LEU A 55 29.463 15.911 -53.869 1.00 0.00 O ATOM 896 CB LEU A 55 28.641 15.626 -50.697 1.00 0.00 C ATOM 897 CG LEU A 55 28.720 17.073 -50.209 1.00 0.00 C ATOM 898 CD1 LEU A 55 27.500 17.420 -49.369 1.00 0.00 C ATOM 899 CD2 LEU A 55 29.998 17.299 -49.416 1.00 0.00 C ATOM 0 H LEU A 55 27.017 13.796 -51.114 1.00 0.00 H new ATOM 0 HA LEU A 55 27.477 16.334 -52.360 1.00 0.00 H new ATOM 0 HB2 LEU A 55 28.102 15.041 -49.951 1.00 0.00 H new ATOM 0 HB3 LEU A 55 29.653 15.225 -50.747 1.00 0.00 H new ATOM 0 HG LEU A 55 28.735 17.730 -51.079 1.00 0.00 H new ATOM 0 HD11 LEU A 55 27.573 18.453 -49.030 1.00 0.00 H new ATOM 0 HD12 LEU A 55 26.598 17.298 -49.969 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.453 16.757 -48.505 1.00 0.00 H new ATOM 0 HD21 LEU A 55 30.037 18.334 -49.077 1.00 0.00 H new ATOM 0 HD22 LEU A 55 30.013 16.633 -48.553 1.00 0.00 H new ATOM 0 HD23 LEU A 55 30.861 17.092 -50.049 1.00 0.00 H new ATOM 911 N LYS A 56 29.410 13.785 -53.134 1.00 0.00 N ATOM 912 CA LYS A 56 30.405 13.314 -54.090 1.00 0.00 C ATOM 913 C LYS A 56 29.879 13.419 -55.518 1.00 0.00 C ATOM 914 O LYS A 56 30.645 13.644 -56.455 1.00 0.00 O ATOM 915 CB LYS A 56 30.790 11.865 -53.783 1.00 0.00 C ATOM 916 CG LYS A 56 31.869 11.315 -54.701 1.00 0.00 C ATOM 917 CD LYS A 56 32.173 9.859 -54.393 1.00 0.00 C ATOM 918 CE LYS A 56 31.079 8.938 -54.913 1.00 0.00 C ATOM 919 NZ LYS A 56 31.605 7.586 -55.248 1.00 0.00 N ATOM 0 H LYS A 56 29.053 13.064 -52.508 1.00 0.00 H new ATOM 0 HA LYS A 56 31.288 13.946 -53.999 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.135 11.800 -52.751 1.00 0.00 H new ATOM 0 HB3 LYS A 56 29.902 11.237 -53.862 1.00 0.00 H new ATOM 0 HG2 LYS A 56 31.548 11.409 -55.738 1.00 0.00 H new ATOM 0 HG3 LYS A 56 32.777 11.908 -54.593 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.127 9.583 -54.843 1.00 0.00 H new ATOM 0 HD3 LYS A 56 32.278 9.728 -53.316 1.00 0.00 H new ATOM 0 HE2 LYS A 56 30.294 8.847 -54.162 1.00 0.00 H new ATOM 0 HE3 LYS A 56 30.623 9.380 -55.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 30.829 6.989 -55.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 32.336 7.670 -55.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.018 7.153 -54.397 1.00 0.00 H new ATOM 933 N GLU A 57 28.569 13.257 -55.676 1.00 0.00 N ATOM 934 CA GLU A 57 27.943 13.335 -56.990 1.00 0.00 C ATOM 935 C GLU A 57 28.535 12.296 -57.938 1.00 0.00 C ATOM 936 O GLU A 57 29.438 11.545 -57.568 1.00 0.00 O ATOM 937 CB GLU A 57 28.116 14.737 -57.580 1.00 0.00 C ATOM 938 CG GLU A 57 26.877 15.256 -58.289 1.00 0.00 C ATOM 939 CD GLU A 57 26.584 16.708 -57.963 1.00 0.00 C ATOM 940 OE1 GLU A 57 27.106 17.592 -58.674 1.00 0.00 O ATOM 941 OE2 GLU A 57 25.834 16.960 -56.998 1.00 0.00 O ATOM 0 H GLU A 57 27.921 13.071 -54.910 1.00 0.00 H new ATOM 0 HA GLU A 57 26.880 13.128 -56.870 1.00 0.00 H new ATOM 0 HB2 GLU A 57 28.383 15.428 -56.780 1.00 0.00 H new ATOM 0 HB3 GLU A 57 28.949 14.726 -58.283 1.00 0.00 H new ATOM 0 HG2 GLU A 57 27.007 15.148 -59.366 1.00 0.00 H new ATOM 0 HG3 GLU A 57 26.019 14.644 -58.009 1.00 0.00 H new ATOM 948 N PHE A 58 28.019 12.258 -59.162 1.00 0.00 N ATOM 949 CA PHE A 58 28.495 11.310 -60.163 1.00 0.00 C ATOM 950 C PHE A 58 29.428 11.993 -61.159 1.00 0.00 C ATOM 951 O PHE A 58 30.586 11.606 -61.305 1.00 0.00 O ATOM 952 CB PHE A 58 27.313 10.681 -60.903 1.00 0.00 C ATOM 953 CG PHE A 58 27.083 9.240 -60.550 1.00 0.00 C ATOM 954 CD1 PHE A 58 27.758 8.232 -61.220 1.00 0.00 C ATOM 955 CD2 PHE A 58 26.191 8.892 -59.548 1.00 0.00 C ATOM 956 CE1 PHE A 58 27.549 6.905 -60.897 1.00 0.00 C ATOM 957 CE2 PHE A 58 25.978 7.566 -59.221 1.00 0.00 C ATOM 958 CZ PHE A 58 26.658 6.571 -59.897 1.00 0.00 C ATOM 0 H PHE A 58 27.271 12.872 -59.485 1.00 0.00 H new ATOM 0 HA PHE A 58 29.052 10.526 -59.649 1.00 0.00 H new ATOM 0 HB2 PHE A 58 26.411 11.250 -60.680 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.483 10.761 -61.977 1.00 0.00 H new ATOM 0 HD1 PHE A 58 28.456 8.487 -62.004 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.656 9.666 -59.017 1.00 0.00 H new ATOM 0 HE1 PHE A 58 28.082 6.130 -61.427 1.00 0.00 H new ATOM 0 HE2 PHE A 58 25.281 7.308 -58.438 1.00 0.00 H new ATOM 0 HZ PHE A 58 26.493 5.534 -59.644 1.00 0.00 H new ATOM 968 N GLU A 59 28.913 13.011 -61.841 1.00 0.00 N ATOM 969 CA GLU A 59 29.699 13.747 -62.824 1.00 0.00 C ATOM 970 C GLU A 59 31.007 14.242 -62.214 1.00 0.00 C ATOM 971 O GLU A 59 32.029 14.327 -62.896 1.00 0.00 O ATOM 972 CB GLU A 59 28.897 14.931 -63.368 1.00 0.00 C ATOM 973 CG GLU A 59 28.611 14.840 -64.858 1.00 0.00 C ATOM 974 CD GLU A 59 29.758 15.357 -65.705 1.00 0.00 C ATOM 975 OE1 GLU A 59 29.926 16.592 -65.786 1.00 0.00 O ATOM 976 OE2 GLU A 59 30.487 14.526 -66.286 1.00 0.00 O ATOM 0 H GLU A 59 27.955 13.345 -61.731 1.00 0.00 H new ATOM 0 HA GLU A 59 29.934 13.069 -63.645 1.00 0.00 H new ATOM 0 HB2 GLU A 59 27.952 14.997 -62.829 1.00 0.00 H new ATOM 0 HB3 GLU A 59 29.444 15.852 -63.167 1.00 0.00 H new ATOM 0 HG2 GLU A 59 28.408 13.802 -65.122 1.00 0.00 H new ATOM 0 HG3 GLU A 59 27.710 15.409 -65.087 1.00 0.00 H new ATOM 983 N CYS A 60 30.967 14.568 -60.927 1.00 0.00 N ATOM 984 CA CYS A 60 32.148 15.056 -60.225 1.00 0.00 C ATOM 985 C CYS A 60 32.753 16.256 -60.947 1.00 0.00 C ATOM 986 O CYS A 60 33.837 16.722 -60.596 1.00 0.00 O ATOM 987 CB CYS A 60 33.189 13.943 -60.099 1.00 0.00 C ATOM 988 SG CYS A 60 33.486 13.398 -58.401 1.00 0.00 S ATOM 0 H CYS A 60 30.129 14.503 -60.349 1.00 0.00 H new ATOM 0 HA CYS A 60 31.842 15.372 -59.227 1.00 0.00 H new ATOM 0 HB2 CYS A 60 32.864 13.088 -60.692 1.00 0.00 H new ATOM 0 HB3 CYS A 60 34.129 14.290 -60.528 1.00 0.00 H new ATOM 0 HG CYS A 60 32.390 13.512 -57.711 1.00 0.00 H new TER 994 CYS A 60