USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 381 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 GLY N :NH3+ -169:sc= 1.22 (180deg=1.17) USER MOD Single : A 5 GLN : amide:sc= 0.208 X(o=0.21,f=0) USER MOD Single : A 8 THR OG1 : rot 129:sc= 0.144 USER MOD Single : A 9 SER OG : rot -23:sc= 1.14 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.73 K(o=0.73,f=-5.1!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ -110:sc= 0.0631 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.9 K(o=0.9,f=-2.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 0.00632 X(o=0.0063,f=-0.055) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 56:sc= 0.738 USER MOD Single : B 28 LYS NZ :NH3+ -169:sc= 0.736 (180deg=0.675) USER MOD Single : B 30 THR OG1 : rot 32:sc= 0.0248 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.016 5.356 -2.767 1.00 0.00 N ATOM 2 CA GLY A 1 -4.769 4.292 -3.765 1.00 0.00 C ATOM 3 C GLY A 1 -3.361 3.722 -3.658 1.00 0.00 C ATOM 4 O GLY A 1 -2.604 4.071 -2.749 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.030 5.585 -2.748 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.718 5.026 -1.827 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.474 6.206 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.495 3.491 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.922 4.693 -4.767 1.00 0.00 H new ATOM 10 N ILE A 2 -2.999 2.824 -4.578 1.00 0.00 N ATOM 11 CA ILE A 2 -1.740 2.055 -4.536 1.00 0.00 C ATOM 12 C ILE A 2 -0.537 2.737 -5.212 1.00 0.00 C ATOM 13 O ILE A 2 0.568 2.709 -4.669 1.00 0.00 O ATOM 14 CB ILE A 2 -1.974 0.634 -5.085 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.779 -0.272 -4.728 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.303 0.595 -6.586 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.967 -1.734 -5.131 1.00 0.00 C ATOM 0 H ILE A 2 -3.578 2.603 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.455 2.001 -3.485 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.868 0.246 -4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.116 0.116 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.606 -0.221 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.454 -0.438 -6.899 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.211 1.168 -6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.477 1.028 -7.151 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.084 -2.306 -4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.842 -2.141 -4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.109 -1.799 -6.210 1.00 0.00 H new ATOM 29 N VAL A 3 -0.717 3.356 -6.386 1.00 0.00 N ATOM 30 CA VAL A 3 0.413 3.841 -7.205 1.00 0.00 C ATOM 31 C VAL A 3 1.138 5.027 -6.559 1.00 0.00 C ATOM 32 O VAL A 3 2.364 5.106 -6.612 1.00 0.00 O ATOM 33 CB VAL A 3 -0.039 4.107 -8.654 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.984 5.306 -8.796 1.00 0.00 C ATOM 35 CG2 VAL A 3 1.155 4.281 -9.598 1.00 0.00 C ATOM 0 H VAL A 3 -1.634 3.535 -6.795 1.00 0.00 H new ATOM 0 HA VAL A 3 1.162 3.050 -7.250 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.601 3.217 -8.939 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.259 5.431 -9.843 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.882 5.133 -8.203 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.484 6.208 -8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.795 4.467 -10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.760 5.125 -9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.761 3.375 -9.589 1.00 0.00 H new ATOM 45 N GLU A 4 0.412 5.867 -5.816 1.00 0.00 N ATOM 46 CA GLU A 4 0.973 6.948 -4.984 1.00 0.00 C ATOM 47 C GLU A 4 1.848 6.451 -3.813 1.00 0.00 C ATOM 48 O GLU A 4 2.531 7.253 -3.172 1.00 0.00 O ATOM 49 CB GLU A 4 -0.166 7.858 -4.491 1.00 0.00 C ATOM 50 CG GLU A 4 -1.094 7.165 -3.477 1.00 0.00 C ATOM 51 CD GLU A 4 -2.303 8.041 -3.104 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.122 9.126 -2.499 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.452 7.626 -3.396 1.00 0.00 O ATOM 0 H GLU A 4 -0.606 5.818 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 4 1.654 7.518 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.261 8.750 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.755 8.190 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.446 6.222 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.530 6.924 -2.576 1.00 0.00 H new ATOM 60 N GLN A 5 1.849 5.139 -3.544 1.00 0.00 N ATOM 61 CA GLN A 5 2.746 4.471 -2.599 1.00 0.00 C ATOM 62 C GLN A 5 3.852 3.696 -3.336 1.00 0.00 C ATOM 63 O GLN A 5 5.031 3.948 -3.101 1.00 0.00 O ATOM 64 CB GLN A 5 1.916 3.569 -1.668 1.00 0.00 C ATOM 65 CG GLN A 5 2.746 2.991 -0.510 1.00 0.00 C ATOM 66 CD GLN A 5 1.894 2.110 0.400 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.478 2.497 1.484 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.580 0.896 -0.003 1.00 0.00 N ATOM 0 H GLN A 5 1.202 4.493 -3.996 1.00 0.00 H new ATOM 0 HA GLN A 5 3.255 5.216 -1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.082 4.142 -1.262 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.488 2.751 -2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.576 2.408 -0.910 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.179 3.805 0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.917 0.554 -0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.000 0.297 0.585 1.00 0.00 H new ATOM 77 N CYS A 6 3.491 2.802 -4.260 1.00 0.00 N ATOM 78 CA CYS A 6 4.422 1.841 -4.878 1.00 0.00 C ATOM 79 C CYS A 6 5.233 2.383 -6.071 1.00 0.00 C ATOM 80 O CYS A 6 6.162 1.708 -6.522 1.00 0.00 O ATOM 81 CB CYS A 6 3.628 0.583 -5.251 1.00 0.00 C ATOM 82 SG CYS A 6 2.626 -0.122 -3.911 1.00 0.00 S ATOM 0 H CYS A 6 2.535 2.720 -4.607 1.00 0.00 H new ATOM 0 HA CYS A 6 5.191 1.614 -4.140 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.971 0.822 -6.088 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.326 -0.178 -5.601 1.00 0.00 H new ATOM 87 N CYS A 7 4.904 3.581 -6.572 1.00 0.00 N ATOM 88 CA CYS A 7 5.714 4.316 -7.549 1.00 0.00 C ATOM 89 C CYS A 7 6.521 5.437 -6.870 1.00 0.00 C ATOM 90 O CYS A 7 7.716 5.590 -7.125 1.00 0.00 O ATOM 91 CB CYS A 7 4.801 4.839 -8.662 1.00 0.00 C ATOM 92 SG CYS A 7 5.643 5.703 -10.008 1.00 0.00 S ATOM 0 H CYS A 7 4.052 4.074 -6.304 1.00 0.00 H new ATOM 0 HA CYS A 7 6.449 3.647 -7.997 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.248 3.998 -9.081 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.068 5.514 -8.221 1.00 0.00 H new ATOM 97 N THR A 8 5.907 6.187 -5.944 1.00 0.00 N ATOM 98 CA THR A 8 6.575 7.258 -5.170 1.00 0.00 C ATOM 99 C THR A 8 7.632 6.705 -4.203 1.00 0.00 C ATOM 100 O THR A 8 8.685 7.312 -4.010 1.00 0.00 O ATOM 101 CB THR A 8 5.532 8.068 -4.377 1.00 0.00 C ATOM 102 OG1 THR A 8 4.470 8.451 -5.233 1.00 0.00 O ATOM 103 CG2 THR A 8 6.098 9.356 -3.774 1.00 0.00 C ATOM 0 H THR A 8 4.922 6.071 -5.704 1.00 0.00 H new ATOM 0 HA THR A 8 7.083 7.902 -5.888 1.00 0.00 H new ATOM 0 HB THR A 8 5.201 7.415 -3.569 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.615 8.201 -4.825 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.312 9.879 -3.229 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.912 9.111 -3.091 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.474 9.997 -4.572 1.00 0.00 H new ATOM 111 N SER A 9 7.377 5.521 -3.641 1.00 0.00 N ATOM 112 CA SER A 9 8.281 4.724 -2.802 1.00 0.00 C ATOM 113 C SER A 9 8.230 3.245 -3.235 1.00 0.00 C ATOM 114 O SER A 9 7.874 2.960 -4.381 1.00 0.00 O ATOM 115 CB SER A 9 7.947 4.956 -1.321 1.00 0.00 C ATOM 116 OG SER A 9 6.725 4.354 -0.931 1.00 0.00 O ATOM 0 H SER A 9 6.475 5.062 -3.767 1.00 0.00 H new ATOM 0 HA SER A 9 9.315 5.041 -2.936 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.754 4.560 -0.705 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.896 6.028 -1.129 1.00 0.00 H new ATOM 0 HG SER A 9 6.156 4.229 -1.719 1.00 0.00 H new ATOM 122 N ILE A 10 8.612 2.299 -2.366 1.00 0.00 N ATOM 123 CA ILE A 10 8.653 0.855 -2.657 1.00 0.00 C ATOM 124 C ILE A 10 7.581 0.088 -1.861 1.00 0.00 C ATOM 125 O ILE A 10 7.278 0.438 -0.718 1.00 0.00 O ATOM 126 CB ILE A 10 10.070 0.285 -2.393 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.223 1.114 -3.009 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.155 -1.170 -2.888 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.153 1.316 -4.526 1.00 0.00 C ATOM 0 H ILE A 10 8.909 2.520 -1.416 1.00 0.00 H new ATOM 0 HA ILE A 10 8.426 0.719 -3.714 1.00 0.00 H new ATOM 0 HB ILE A 10 10.208 0.336 -1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.239 2.093 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.167 0.626 -2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.154 -1.561 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.421 -1.778 -2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.950 -1.203 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.007 1.909 -4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.172 0.346 -5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.230 1.837 -4.782 1.00 0.00 H new ATOM 141 N CYS A 11 7.046 -0.991 -2.449 1.00 0.00 N ATOM 142 CA CYS A 11 6.080 -1.905 -1.829 1.00 0.00 C ATOM 143 C CYS A 11 6.565 -3.366 -1.808 1.00 0.00 C ATOM 144 O CYS A 11 7.220 -3.838 -2.741 1.00 0.00 O ATOM 145 CB CYS A 11 4.744 -1.801 -2.572 1.00 0.00 C ATOM 146 SG CYS A 11 3.898 -0.224 -2.331 1.00 0.00 S ATOM 0 H CYS A 11 7.283 -1.260 -3.404 1.00 0.00 H new ATOM 0 HA CYS A 11 5.962 -1.604 -0.788 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.919 -1.950 -3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.090 -2.608 -2.240 1.00 0.00 H new ATOM 151 N SER A 12 6.184 -4.094 -0.755 1.00 0.00 N ATOM 152 CA SER A 12 6.333 -5.549 -0.604 1.00 0.00 C ATOM 153 C SER A 12 5.113 -6.293 -1.151 1.00 0.00 C ATOM 154 O SER A 12 4.000 -5.763 -1.159 1.00 0.00 O ATOM 155 CB SER A 12 6.570 -5.868 0.877 1.00 0.00 C ATOM 156 OG SER A 12 6.822 -7.249 1.047 1.00 0.00 O ATOM 0 H SER A 12 5.741 -3.666 0.058 1.00 0.00 H new ATOM 0 HA SER A 12 7.190 -5.889 -1.186 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.414 -5.289 1.250 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.699 -5.575 1.463 1.00 0.00 H new ATOM 0 HG SER A 12 6.973 -7.440 1.996 1.00 0.00 H new ATOM 162 N LEU A 13 5.296 -7.546 -1.575 1.00 0.00 N ATOM 163 CA LEU A 13 4.236 -8.387 -2.138 1.00 0.00 C ATOM 164 C LEU A 13 3.026 -8.586 -1.210 1.00 0.00 C ATOM 165 O LEU A 13 1.893 -8.692 -1.683 1.00 0.00 O ATOM 166 CB LEU A 13 4.848 -9.727 -2.597 1.00 0.00 C ATOM 167 CG LEU A 13 5.227 -10.778 -1.533 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.746 -12.022 -2.255 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.326 -10.333 -0.569 1.00 0.00 C ATOM 0 H LEU A 13 6.202 -8.013 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 13 3.821 -7.859 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.142 -10.194 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.747 -9.499 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 13 4.326 -10.954 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.021 -12.780 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.967 -12.415 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.621 -11.759 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.529 -11.132 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.233 -10.108 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.001 -9.442 -0.033 1.00 0.00 H new ATOM 181 N TYR A 14 3.234 -8.537 0.108 1.00 0.00 N ATOM 182 CA TYR A 14 2.151 -8.611 1.099 1.00 0.00 C ATOM 183 C TYR A 14 1.242 -7.368 1.079 1.00 0.00 C ATOM 184 O TYR A 14 0.051 -7.456 1.377 1.00 0.00 O ATOM 185 CB TYR A 14 2.766 -8.815 2.492 1.00 0.00 C ATOM 186 CG TYR A 14 3.710 -10.003 2.597 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.251 -11.304 2.298 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.050 -9.804 2.982 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.140 -12.395 2.360 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.939 -10.895 3.052 1.00 0.00 C ATOM 191 CZ TYR A 14 5.486 -12.195 2.735 1.00 0.00 C ATOM 192 OH TYR A 14 6.336 -13.258 2.802 1.00 0.00 O ATOM 0 H TYR A 14 4.161 -8.444 0.522 1.00 0.00 H new ATOM 0 HA TYR A 14 1.513 -9.457 0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.307 -7.911 2.772 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.961 -8.942 3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.219 -11.463 2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.398 -8.811 3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.790 -13.388 2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.966 -10.738 3.348 1.00 0.00 H new ATOM 0 HH TYR A 14 7.225 -12.949 3.074 1.00 0.00 H new ATOM 202 N GLN A 15 1.788 -6.216 0.673 1.00 0.00 N ATOM 203 CA GLN A 15 1.047 -4.968 0.448 1.00 0.00 C ATOM 204 C GLN A 15 0.309 -4.975 -0.902 1.00 0.00 C ATOM 205 O GLN A 15 -0.719 -4.313 -1.038 1.00 0.00 O ATOM 206 CB GLN A 15 2.000 -3.761 0.524 1.00 0.00 C ATOM 207 CG GLN A 15 2.889 -3.765 1.778 1.00 0.00 C ATOM 208 CD GLN A 15 3.789 -2.537 1.835 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.910 -2.546 1.341 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.340 -1.441 2.408 1.00 0.00 N ATOM 0 H GLN A 15 2.786 -6.123 0.486 1.00 0.00 H new ATOM 0 HA GLN A 15 0.297 -4.886 1.234 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.634 -3.752 -0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.414 -2.842 0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.262 -3.798 2.669 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.502 -4.666 1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.408 -1.427 2.821 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.924 -0.606 2.439 1.00 0.00 H new ATOM 219 N LEU A 16 0.783 -5.752 -1.886 1.00 0.00 N ATOM 220 CA LEU A 16 0.092 -5.948 -3.167 1.00 0.00 C ATOM 221 C LEU A 16 -1.101 -6.913 -3.032 1.00 0.00 C ATOM 222 O LEU A 16 -2.166 -6.644 -3.587 1.00 0.00 O ATOM 223 CB LEU A 16 1.072 -6.427 -4.256 1.00 0.00 C ATOM 224 CG LEU A 16 2.307 -5.541 -4.529 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.918 -5.914 -5.876 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.040 -4.038 -4.591 1.00 0.00 C ATOM 0 H LEU A 16 1.662 -6.265 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.307 -4.981 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.423 -7.422 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.517 -6.531 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 16 2.961 -5.730 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.789 -5.287 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.220 -6.961 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.181 -5.760 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.973 -3.510 -4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.329 -3.827 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.627 -3.702 -3.640 1.00 0.00 H new ATOM 238 N GLU A 17 -0.979 -7.983 -2.235 1.00 0.00 N ATOM 239 CA GLU A 17 -2.103 -8.893 -1.935 1.00 0.00 C ATOM 240 C GLU A 17 -3.301 -8.193 -1.271 1.00 0.00 C ATOM 241 O GLU A 17 -4.434 -8.662 -1.406 1.00 0.00 O ATOM 242 CB GLU A 17 -1.673 -10.059 -1.024 1.00 0.00 C ATOM 243 CG GLU A 17 -0.932 -11.169 -1.769 1.00 0.00 C ATOM 244 CD GLU A 17 -1.086 -12.509 -1.035 1.00 0.00 C ATOM 245 OE1 GLU A 17 -2.088 -13.220 -1.303 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.221 -12.857 -0.193 1.00 0.00 O ATOM 0 H GLU A 17 -0.105 -8.245 -1.780 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.414 -9.267 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.033 -9.674 -0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.556 -10.480 -0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.322 -11.257 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.124 -10.914 -1.855 1.00 0.00 H new ATOM 253 N ASN A 18 -3.091 -7.043 -0.616 1.00 0.00 N ATOM 254 CA ASN A 18 -4.163 -6.218 -0.051 1.00 0.00 C ATOM 255 C ASN A 18 -5.163 -5.706 -1.118 1.00 0.00 C ATOM 256 O ASN A 18 -6.281 -5.321 -0.770 1.00 0.00 O ATOM 257 CB ASN A 18 -3.511 -5.051 0.717 1.00 0.00 C ATOM 258 CG ASN A 18 -4.502 -4.286 1.582 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.900 -3.168 1.283 1.00 0.00 O ATOM 260 ND2 ASN A 18 -4.924 -4.855 2.692 1.00 0.00 N ATOM 0 H ASN A 18 -2.160 -6.656 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.759 -6.833 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.710 -5.439 1.347 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.052 -4.365 0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.580 -4.364 3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.595 -5.787 2.945 1.00 0.00 H new ATOM 267 N TYR A 19 -4.790 -5.739 -2.405 1.00 0.00 N ATOM 268 CA TYR A 19 -5.626 -5.301 -3.528 1.00 0.00 C ATOM 269 C TYR A 19 -6.280 -6.465 -4.291 1.00 0.00 C ATOM 270 O TYR A 19 -6.931 -6.217 -5.304 1.00 0.00 O ATOM 271 CB TYR A 19 -4.813 -4.366 -4.439 1.00 0.00 C ATOM 272 CG TYR A 19 -4.434 -3.071 -3.747 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.357 -3.046 -2.839 1.00 0.00 C ATOM 274 CD2 TYR A 19 -5.187 -1.902 -3.973 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.067 -1.880 -2.111 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.892 -0.727 -3.257 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.843 -0.716 -2.307 1.00 0.00 C ATOM 278 OH TYR A 19 -3.564 0.425 -1.618 1.00 0.00 O ATOM 0 H TYR A 19 -3.875 -6.080 -2.700 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.469 -4.741 -3.124 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.908 -4.878 -4.766 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.393 -4.140 -5.334 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.750 -3.929 -2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.990 -1.908 -4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.252 -1.874 -1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.468 0.169 -3.433 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.197 1.127 -1.878 1.00 0.00 H new ATOM 288 N CYS A 20 -6.134 -7.710 -3.833 1.00 0.00 N ATOM 289 CA CYS A 20 -6.595 -8.909 -4.538 1.00 0.00 C ATOM 290 C CYS A 20 -7.826 -9.580 -3.893 1.00 0.00 C ATOM 291 O CYS A 20 -8.081 -9.451 -2.692 1.00 0.00 O ATOM 292 CB CYS A 20 -5.432 -9.900 -4.657 1.00 0.00 C ATOM 293 SG CYS A 20 -3.979 -9.205 -5.470 1.00 0.00 S ATOM 0 H CYS A 20 -5.682 -7.918 -2.942 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.927 -8.592 -5.527 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.153 -10.242 -3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.766 -10.776 -5.213 1.00 0.00 H new ATOM 298 N ASN A 21 -8.561 -10.338 -4.716 1.00 0.00 N ATOM 299 CA ASN A 21 -9.645 -11.240 -4.307 1.00 0.00 C ATOM 300 C ASN A 21 -9.159 -12.351 -3.351 1.00 0.00 C ATOM 301 O ASN A 21 -9.911 -12.693 -2.410 1.00 0.00 O ATOM 302 CB ASN A 21 -10.290 -11.816 -5.590 1.00 0.00 C ATOM 303 CG ASN A 21 -11.462 -12.750 -5.312 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.376 -13.961 -5.468 1.00 0.00 O ATOM 305 ND2 ASN A 21 -12.595 -12.219 -4.908 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.030 -12.864 -3.547 1.00 0.00 O ATOM 0 H ASN A 21 -8.411 -10.340 -5.725 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.388 -10.683 -3.736 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.632 -10.993 -6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.532 -12.355 -6.158 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.401 -12.816 -4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.667 -11.210 -4.778 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 10.064 -11.758 -7.192 1.00 0.00 N ATOM 315 CA PHE B 1 9.271 -10.522 -6.948 1.00 0.00 C ATOM 316 C PHE B 1 10.036 -9.279 -7.438 1.00 0.00 C ATOM 317 O PHE B 1 11.260 -9.319 -7.553 1.00 0.00 O ATOM 318 CB PHE B 1 8.866 -10.411 -5.462 1.00 0.00 C ATOM 319 CG PHE B 1 8.013 -9.202 -5.134 1.00 0.00 C ATOM 320 CD1 PHE B 1 6.772 -9.027 -5.775 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.483 -8.222 -4.236 1.00 0.00 C ATOM 322 CE1 PHE B 1 6.012 -7.872 -5.530 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.708 -7.076 -3.977 1.00 0.00 C ATOM 324 CZ PHE B 1 6.473 -6.900 -4.626 1.00 0.00 C ATOM 0 H1 PHE B 1 9.613 -12.317 -7.944 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.028 -11.500 -7.484 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.106 -12.322 -6.319 1.00 0.00 H new ATOM 0 HA PHE B 1 8.348 -10.581 -7.525 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.322 -11.312 -5.178 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.770 -10.379 -4.853 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.404 -9.781 -6.455 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.437 -8.351 -3.747 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.070 -7.730 -6.038 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.062 -6.331 -3.279 1.00 0.00 H new ATOM 0 HZ PHE B 1 5.880 -6.019 -4.430 1.00 0.00 H new ATOM 336 N VAL B 2 9.331 -8.174 -7.731 1.00 0.00 N ATOM 337 CA VAL B 2 9.911 -6.891 -8.186 1.00 0.00 C ATOM 338 C VAL B 2 9.585 -5.752 -7.227 1.00 0.00 C ATOM 339 O VAL B 2 8.479 -5.653 -6.708 1.00 0.00 O ATOM 340 CB VAL B 2 9.498 -6.515 -9.624 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.139 -7.474 -10.627 1.00 0.00 C ATOM 342 CG2 VAL B 2 7.980 -6.488 -9.850 1.00 0.00 C ATOM 0 H VAL B 2 8.314 -8.143 -7.657 1.00 0.00 H new ATOM 0 HA VAL B 2 10.990 -7.044 -8.192 1.00 0.00 H new ATOM 0 HB VAL B 2 9.858 -5.498 -9.777 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.839 -7.197 -11.638 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.224 -7.417 -10.542 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.811 -8.492 -10.417 1.00 0.00 H new ATOM 0 HG21 VAL B 2 7.771 -6.216 -10.884 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.564 -7.474 -9.643 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.526 -5.755 -9.183 1.00 0.00 H new ATOM 352 N ASN B 3 10.561 -4.869 -7.007 1.00 0.00 N ATOM 353 CA ASN B 3 10.534 -3.849 -5.956 1.00 0.00 C ATOM 354 C ASN B 3 11.242 -2.533 -6.359 1.00 0.00 C ATOM 355 O ASN B 3 12.025 -1.977 -5.593 1.00 0.00 O ATOM 356 CB ASN B 3 11.104 -4.506 -4.679 1.00 0.00 C ATOM 357 CG ASN B 3 12.487 -5.131 -4.850 1.00 0.00 C ATOM 358 OD1 ASN B 3 13.257 -4.837 -5.758 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.840 -6.067 -3.998 1.00 0.00 N ATOM 0 H ASN B 3 11.413 -4.842 -7.568 1.00 0.00 H new ATOM 0 HA ASN B 3 9.511 -3.520 -5.773 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.154 -3.755 -3.891 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.411 -5.276 -4.342 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.741 -6.535 -4.099 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.213 -6.326 -3.236 1.00 0.00 H new ATOM 366 N GLN B 4 10.996 -2.043 -7.585 1.00 0.00 N ATOM 367 CA GLN B 4 11.734 -0.920 -8.191 1.00 0.00 C ATOM 368 C GLN B 4 10.800 0.173 -8.753 1.00 0.00 C ATOM 369 O GLN B 4 10.669 0.325 -9.967 1.00 0.00 O ATOM 370 CB GLN B 4 12.709 -1.458 -9.259 1.00 0.00 C ATOM 371 CG GLN B 4 13.696 -2.497 -8.706 1.00 0.00 C ATOM 372 CD GLN B 4 14.784 -2.838 -9.725 1.00 0.00 C ATOM 373 OE1 GLN B 4 15.914 -2.370 -9.648 1.00 0.00 O ATOM 374 NE2 GLN B 4 14.493 -3.657 -10.717 1.00 0.00 N ATOM 0 H GLN B 4 10.269 -2.420 -8.193 1.00 0.00 H new ATOM 0 HA GLN B 4 12.310 -0.430 -7.406 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.137 -1.906 -10.072 1.00 0.00 H new ATOM 0 HB3 GLN B 4 13.268 -0.625 -9.684 1.00 0.00 H new ATOM 0 HG2 GLN B 4 14.157 -2.114 -7.796 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.156 -3.403 -8.433 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.556 -4.054 -10.793 1.00 0.00 H new ATOM 0 HE22 GLN B 4 15.205 -3.894 -11.408 1.00 0.00 H new ATOM 383 N HIS B 5 10.150 0.938 -7.863 1.00 0.00 N ATOM 384 CA HIS B 5 9.265 2.074 -8.199 1.00 0.00 C ATOM 385 C HIS B 5 8.221 1.739 -9.289 1.00 0.00 C ATOM 386 O HIS B 5 8.130 2.401 -10.325 1.00 0.00 O ATOM 387 CB HIS B 5 10.111 3.322 -8.522 1.00 0.00 C ATOM 388 CG HIS B 5 10.852 3.893 -7.341 1.00 0.00 C ATOM 389 ND1 HIS B 5 10.326 4.759 -6.413 1.00 0.00 N ATOM 390 CD2 HIS B 5 12.173 3.716 -7.021 1.00 0.00 C ATOM 391 CE1 HIS B 5 11.295 5.097 -5.549 1.00 0.00 C ATOM 392 NE2 HIS B 5 12.449 4.488 -5.882 1.00 0.00 N ATOM 0 H HIS B 5 10.225 0.782 -6.858 1.00 0.00 H new ATOM 0 HA HIS B 5 8.661 2.299 -7.320 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.832 3.067 -9.299 1.00 0.00 H new ATOM 0 HB3 HIS B 5 9.458 4.092 -8.933 1.00 0.00 H new ATOM 0 HD1 HIS B 5 9.361 5.089 -6.386 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.877 3.092 -7.552 1.00 0.00 H new ATOM 0 HE1 HIS B 5 11.168 5.762 -4.707 1.00 0.00 H new ATOM 400 N LEU B 6 7.446 0.670 -9.071 1.00 0.00 N ATOM 401 CA LEU B 6 6.503 0.121 -10.049 1.00 0.00 C ATOM 402 C LEU B 6 5.360 1.116 -10.319 1.00 0.00 C ATOM 403 O LEU B 6 4.629 1.497 -9.403 1.00 0.00 O ATOM 404 CB LEU B 6 5.951 -1.242 -9.575 1.00 0.00 C ATOM 405 CG LEU B 6 6.945 -2.384 -9.283 1.00 0.00 C ATOM 406 CD1 LEU B 6 8.063 -2.510 -10.319 1.00 0.00 C ATOM 407 CD2 LEU B 6 7.559 -2.299 -7.886 1.00 0.00 C ATOM 0 H LEU B 6 7.458 0.153 -8.192 1.00 0.00 H new ATOM 0 HA LEU B 6 7.038 -0.042 -10.985 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.373 -1.067 -8.667 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.253 -1.597 -10.333 1.00 0.00 H new ATOM 0 HG LEU B 6 6.331 -3.282 -9.343 1.00 0.00 H new ATOM 0 HD11 LEU B 6 8.721 -3.334 -10.045 1.00 0.00 H new ATOM 0 HD12 LEU B 6 7.630 -2.702 -11.300 1.00 0.00 H new ATOM 0 HD13 LEU B 6 8.636 -1.583 -10.351 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.249 -3.130 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU B 6 8.098 -1.357 -7.782 1.00 0.00 H new ATOM 0 HD23 LEU B 6 6.768 -2.349 -7.137 1.00 0.00 H new ATOM 419 N CYS B 7 5.196 1.515 -11.581 1.00 0.00 N ATOM 420 CA CYS B 7 4.274 2.569 -12.014 1.00 0.00 C ATOM 421 C CYS B 7 3.487 2.145 -13.263 1.00 0.00 C ATOM 422 O CYS B 7 4.048 1.510 -14.161 1.00 0.00 O ATOM 423 CB CYS B 7 5.090 3.845 -12.295 1.00 0.00 C ATOM 424 SG CYS B 7 4.431 5.389 -11.616 1.00 0.00 S ATOM 0 H CYS B 7 5.717 1.102 -12.355 1.00 0.00 H new ATOM 0 HA CYS B 7 3.546 2.757 -11.225 1.00 0.00 H new ATOM 0 HB2 CYS B 7 6.096 3.701 -11.901 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.184 3.959 -13.375 1.00 0.00 H new ATOM 429 N GLY B 8 2.201 2.503 -13.339 1.00 0.00 N ATOM 430 CA GLY B 8 1.334 2.191 -14.484 1.00 0.00 C ATOM 431 C GLY B 8 1.291 0.693 -14.803 1.00 0.00 C ATOM 432 O GLY B 8 1.030 -0.133 -13.926 1.00 0.00 O ATOM 0 H GLY B 8 1.726 3.023 -12.601 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.324 2.543 -14.276 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.687 2.735 -15.360 1.00 0.00 H new ATOM 436 N SER B 9 1.617 0.330 -16.047 1.00 0.00 N ATOM 437 CA SER B 9 1.705 -1.065 -16.506 1.00 0.00 C ATOM 438 C SER B 9 2.655 -1.933 -15.666 1.00 0.00 C ATOM 439 O SER B 9 2.407 -3.128 -15.517 1.00 0.00 O ATOM 440 CB SER B 9 2.180 -1.101 -17.966 1.00 0.00 C ATOM 441 OG SER B 9 1.341 -0.296 -18.784 1.00 0.00 O ATOM 0 H SER B 9 1.832 1.007 -16.779 1.00 0.00 H new ATOM 0 HA SER B 9 0.703 -1.481 -16.400 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.208 -0.745 -18.029 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.176 -2.128 -18.331 1.00 0.00 H new ATOM 0 HG SER B 9 1.659 -0.329 -19.711 1.00 0.00 H new ATOM 447 N HIS B 10 3.701 -1.358 -15.060 1.00 0.00 N ATOM 448 CA HIS B 10 4.646 -2.085 -14.200 1.00 0.00 C ATOM 449 C HIS B 10 4.056 -2.394 -12.814 1.00 0.00 C ATOM 450 O HIS B 10 4.388 -3.412 -12.208 1.00 0.00 O ATOM 451 CB HIS B 10 5.935 -1.270 -14.052 1.00 0.00 C ATOM 452 CG HIS B 10 6.526 -0.849 -15.369 1.00 0.00 C ATOM 453 ND1 HIS B 10 6.394 0.382 -15.970 1.00 0.00 N ATOM 454 CD2 HIS B 10 7.242 -1.644 -16.218 1.00 0.00 C ATOM 455 CE1 HIS B 10 7.026 0.340 -17.156 1.00 0.00 C ATOM 456 NE2 HIS B 10 7.566 -0.882 -17.354 1.00 0.00 N ATOM 0 H HIS B 10 3.918 -0.366 -15.153 1.00 0.00 H new ATOM 0 HA HIS B 10 4.860 -3.041 -14.678 1.00 0.00 H new ATOM 0 HB2 HIS B 10 5.729 -0.383 -13.454 1.00 0.00 H new ATOM 0 HB3 HIS B 10 6.669 -1.860 -13.504 1.00 0.00 H new ATOM 0 HD1 HIS B 10 5.902 1.187 -15.583 1.00 0.00 H new ATOM 0 HD2 HIS B 10 7.512 -2.676 -16.047 1.00 0.00 H new ATOM 0 HE1 HIS B 10 7.092 1.165 -17.850 1.00 0.00 H new ATOM 464 N LEU B 11 3.155 -1.537 -12.316 1.00 0.00 N ATOM 465 CA LEU B 11 2.399 -1.780 -11.083 1.00 0.00 C ATOM 466 C LEU B 11 1.378 -2.900 -11.321 1.00 0.00 C ATOM 467 O LEU B 11 1.343 -3.864 -10.562 1.00 0.00 O ATOM 468 CB LEU B 11 1.781 -0.446 -10.615 1.00 0.00 C ATOM 469 CG LEU B 11 1.081 -0.431 -9.248 1.00 0.00 C ATOM 470 CD1 LEU B 11 -0.236 -1.203 -9.258 1.00 0.00 C ATOM 471 CD2 LEU B 11 1.961 -0.967 -8.116 1.00 0.00 C ATOM 0 H LEU B 11 2.929 -0.648 -12.762 1.00 0.00 H new ATOM 0 HA LEU B 11 3.041 -2.130 -10.275 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.572 0.303 -10.596 1.00 0.00 H new ATOM 0 HB3 LEU B 11 1.059 -0.128 -11.367 1.00 0.00 H new ATOM 0 HG LEU B 11 0.877 0.622 -9.057 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.690 -1.161 -8.268 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.913 -0.758 -9.987 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.047 -2.242 -9.527 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.409 -0.930 -7.177 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.242 -1.998 -8.331 1.00 0.00 H new ATOM 0 HD23 LEU B 11 2.859 -0.355 -8.033 1.00 0.00 H new ATOM 483 N VAL B 12 0.624 -2.832 -12.427 1.00 0.00 N ATOM 484 CA VAL B 12 -0.309 -3.893 -12.867 1.00 0.00 C ATOM 485 C VAL B 12 0.424 -5.227 -13.057 1.00 0.00 C ATOM 486 O VAL B 12 -0.059 -6.264 -12.601 1.00 0.00 O ATOM 487 CB VAL B 12 -1.023 -3.464 -14.165 1.00 0.00 C ATOM 488 CG1 VAL B 12 -1.954 -4.544 -14.733 1.00 0.00 C ATOM 489 CG2 VAL B 12 -1.888 -2.222 -13.901 1.00 0.00 C ATOM 0 H VAL B 12 0.641 -2.028 -13.055 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.059 -4.039 -12.090 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.230 -3.269 -14.887 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.424 -4.176 -15.645 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.376 -5.441 -14.958 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.724 -4.783 -14.000 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.389 -1.925 -14.822 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.634 -2.453 -13.141 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.256 -1.405 -13.553 1.00 0.00 H new ATOM 499 N GLU B 13 1.618 -5.207 -13.657 1.00 0.00 N ATOM 500 CA GLU B 13 2.486 -6.378 -13.811 1.00 0.00 C ATOM 501 C GLU B 13 2.933 -6.961 -12.459 1.00 0.00 C ATOM 502 O GLU B 13 2.893 -8.178 -12.290 1.00 0.00 O ATOM 503 CB GLU B 13 3.678 -5.990 -14.702 1.00 0.00 C ATOM 504 CG GLU B 13 4.678 -7.124 -14.942 1.00 0.00 C ATOM 505 CD GLU B 13 5.704 -6.722 -16.023 1.00 0.00 C ATOM 506 OE1 GLU B 13 6.700 -6.029 -15.701 1.00 0.00 O ATOM 507 OE2 GLU B 13 5.526 -7.111 -17.203 1.00 0.00 O ATOM 0 H GLU B 13 2.016 -4.358 -14.058 1.00 0.00 H new ATOM 0 HA GLU B 13 1.923 -7.178 -14.292 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.300 -5.644 -15.664 1.00 0.00 H new ATOM 0 HB3 GLU B 13 4.201 -5.150 -14.244 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.195 -7.363 -14.013 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.148 -8.024 -15.253 1.00 0.00 H new ATOM 514 N ALA B 14 3.281 -6.131 -11.465 1.00 0.00 N ATOM 515 CA ALA B 14 3.622 -6.606 -10.126 1.00 0.00 C ATOM 516 C ALA B 14 2.400 -7.168 -9.376 1.00 0.00 C ATOM 517 O ALA B 14 2.508 -8.193 -8.704 1.00 0.00 O ATOM 518 CB ALA B 14 4.285 -5.464 -9.354 1.00 0.00 C ATOM 0 H ALA B 14 3.332 -5.118 -11.571 1.00 0.00 H new ATOM 0 HA ALA B 14 4.321 -7.438 -10.215 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.545 -5.805 -8.352 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.189 -5.149 -9.876 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.595 -4.623 -9.283 1.00 0.00 H new ATOM 524 N LEU B 15 1.219 -6.561 -9.534 1.00 0.00 N ATOM 525 CA LEU B 15 -0.031 -7.064 -8.951 1.00 0.00 C ATOM 526 C LEU B 15 -0.400 -8.448 -9.520 1.00 0.00 C ATOM 527 O LEU B 15 -0.701 -9.382 -8.773 1.00 0.00 O ATOM 528 CB LEU B 15 -1.167 -6.033 -9.177 1.00 0.00 C ATOM 529 CG LEU B 15 -1.935 -5.604 -7.911 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.410 -6.793 -7.086 1.00 0.00 C ATOM 531 CD2 LEU B 15 -1.083 -4.693 -7.037 1.00 0.00 C ATOM 0 H LEU B 15 1.102 -5.703 -10.072 1.00 0.00 H new ATOM 0 HA LEU B 15 0.111 -7.193 -7.878 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.740 -5.144 -9.641 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.879 -6.453 -9.888 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.814 -5.061 -8.258 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.945 -6.435 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.075 -7.411 -7.688 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.550 -7.385 -6.772 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.649 -4.405 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.179 -5.221 -6.734 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.811 -3.800 -7.599 1.00 0.00 H new ATOM 543 N TYR B 16 -0.292 -8.604 -10.843 1.00 0.00 N ATOM 544 CA TYR B 16 -0.483 -9.877 -11.538 1.00 0.00 C ATOM 545 C TYR B 16 0.582 -10.922 -11.159 1.00 0.00 C ATOM 546 O TYR B 16 0.256 -12.101 -11.012 1.00 0.00 O ATOM 547 CB TYR B 16 -0.480 -9.613 -13.051 1.00 0.00 C ATOM 548 CG TYR B 16 -0.619 -10.866 -13.895 1.00 0.00 C ATOM 549 CD1 TYR B 16 -1.841 -11.565 -13.922 1.00 0.00 C ATOM 550 CD2 TYR B 16 0.483 -11.350 -14.633 1.00 0.00 C ATOM 551 CE1 TYR B 16 -1.968 -12.741 -14.685 1.00 0.00 C ATOM 552 CE2 TYR B 16 0.362 -12.528 -15.396 1.00 0.00 C ATOM 553 CZ TYR B 16 -0.868 -13.226 -15.424 1.00 0.00 C ATOM 554 OH TYR B 16 -0.996 -14.368 -16.156 1.00 0.00 O ATOM 0 H TYR B 16 -0.065 -7.833 -11.471 1.00 0.00 H new ATOM 0 HA TYR B 16 -1.440 -10.299 -11.232 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.296 -8.932 -13.292 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.447 -9.107 -13.320 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.684 -11.198 -13.355 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.421 -10.816 -14.613 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.908 -13.272 -14.705 1.00 0.00 H new ATOM 0 HE2 TYR B 16 1.207 -12.897 -15.958 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.148 -14.565 -16.606 1.00 0.00 H new ATOM 564 N LEU B 17 1.836 -10.514 -10.926 1.00 0.00 N ATOM 565 CA LEU B 17 2.921 -11.413 -10.513 1.00 0.00 C ATOM 566 C LEU B 17 2.675 -11.998 -9.110 1.00 0.00 C ATOM 567 O LEU B 17 3.044 -13.142 -8.839 1.00 0.00 O ATOM 568 CB LEU B 17 4.256 -10.636 -10.587 1.00 0.00 C ATOM 569 CG LEU B 17 5.520 -11.451 -10.255 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.753 -12.597 -11.241 1.00 0.00 C ATOM 571 CD2 LEU B 17 6.743 -10.531 -10.294 1.00 0.00 C ATOM 0 H LEU B 17 2.129 -9.541 -11.020 1.00 0.00 H new ATOM 0 HA LEU B 17 2.962 -12.267 -11.189 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.363 -10.227 -11.592 1.00 0.00 H new ATOM 0 HB3 LEU B 17 4.201 -9.789 -9.903 1.00 0.00 H new ATOM 0 HG LEU B 17 5.374 -11.878 -9.263 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.656 -13.139 -10.962 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.900 -13.276 -11.218 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.869 -12.194 -12.247 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.639 -11.106 -10.059 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.841 -10.098 -11.289 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.622 -9.733 -9.561 1.00 0.00 H new ATOM 583 N VAL B 18 2.017 -11.236 -8.230 1.00 0.00 N ATOM 584 CA VAL B 18 1.661 -11.655 -6.864 1.00 0.00 C ATOM 585 C VAL B 18 0.376 -12.493 -6.818 1.00 0.00 C ATOM 586 O VAL B 18 0.347 -13.516 -6.131 1.00 0.00 O ATOM 587 CB VAL B 18 1.587 -10.420 -5.941 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.077 -10.740 -4.536 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.000 -9.851 -5.771 1.00 0.00 C ATOM 0 H VAL B 18 1.709 -10.289 -8.450 1.00 0.00 H new ATOM 0 HA VAL B 18 2.448 -12.314 -6.497 1.00 0.00 H new ATOM 0 HB VAL B 18 0.893 -9.724 -6.412 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.051 -9.827 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.073 -11.160 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.743 -11.462 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.964 -8.977 -5.121 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.646 -10.608 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.396 -9.563 -6.745 1.00 0.00 H new ATOM 599 N CYS B 19 -0.670 -12.099 -7.550 1.00 0.00 N ATOM 600 CA CYS B 19 -2.013 -12.688 -7.415 1.00 0.00 C ATOM 601 C CYS B 19 -2.464 -13.609 -8.568 1.00 0.00 C ATOM 602 O CYS B 19 -3.407 -14.382 -8.386 1.00 0.00 O ATOM 603 CB CYS B 19 -2.989 -11.540 -7.134 1.00 0.00 C ATOM 604 SG CYS B 19 -2.650 -10.725 -5.550 1.00 0.00 S ATOM 0 H CYS B 19 -0.614 -11.363 -8.254 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.991 -13.390 -6.581 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -2.927 -10.807 -7.938 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.009 -11.925 -7.132 1.00 0.00 H new ATOM 609 N GLY B 20 -1.790 -13.598 -9.725 1.00 0.00 N ATOM 610 CA GLY B 20 -2.030 -14.537 -10.827 1.00 0.00 C ATOM 611 C GLY B 20 -3.464 -14.486 -11.371 1.00 0.00 C ATOM 612 O GLY B 20 -3.925 -13.449 -11.853 1.00 0.00 O ATOM 0 H GLY B 20 -1.050 -12.925 -9.924 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -1.334 -14.320 -11.637 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -1.815 -15.549 -10.485 1.00 0.00 H new ATOM 616 N GLU B 21 -4.179 -15.611 -11.286 1.00 0.00 N ATOM 617 CA GLU B 21 -5.573 -15.744 -11.752 1.00 0.00 C ATOM 618 C GLU B 21 -6.613 -15.059 -10.833 1.00 0.00 C ATOM 619 O GLU B 21 -7.768 -14.893 -11.239 1.00 0.00 O ATOM 620 CB GLU B 21 -5.920 -17.231 -11.929 1.00 0.00 C ATOM 621 CG GLU B 21 -5.092 -17.904 -13.033 1.00 0.00 C ATOM 622 CD GLU B 21 -5.555 -19.359 -13.250 1.00 0.00 C ATOM 623 OE1 GLU B 21 -5.023 -20.275 -12.578 1.00 0.00 O ATOM 624 OE2 GLU B 21 -6.447 -19.598 -14.101 1.00 0.00 O ATOM 0 H GLU B 21 -3.805 -16.472 -10.886 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.629 -15.222 -12.707 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -5.755 -17.753 -10.987 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -6.980 -17.327 -12.165 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.191 -17.343 -13.962 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.036 -17.889 -12.763 1.00 0.00 H new ATOM 631 N ARG B 22 -6.231 -14.637 -9.615 1.00 0.00 N ATOM 632 CA ARG B 22 -7.086 -13.838 -8.716 1.00 0.00 C ATOM 633 C ARG B 22 -7.209 -12.406 -9.246 1.00 0.00 C ATOM 634 O ARG B 22 -6.198 -11.753 -9.517 1.00 0.00 O ATOM 635 CB ARG B 22 -6.517 -13.835 -7.287 1.00 0.00 C ATOM 636 CG ARG B 22 -6.452 -15.218 -6.614 1.00 0.00 C ATOM 637 CD ARG B 22 -5.428 -15.241 -5.468 1.00 0.00 C ATOM 638 NE ARG B 22 -5.743 -14.266 -4.408 1.00 0.00 N ATOM 639 CZ ARG B 22 -4.938 -13.823 -3.464 1.00 0.00 C ATOM 640 NH1 ARG B 22 -3.695 -14.192 -3.356 1.00 0.00 N ATOM 641 NH2 ARG B 22 -5.409 -12.984 -2.596 1.00 0.00 N ATOM 0 H ARG B 22 -5.312 -14.842 -9.222 1.00 0.00 H new ATOM 0 HA ARG B 22 -8.078 -14.289 -8.686 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.513 -13.411 -7.312 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -7.126 -13.175 -6.670 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -7.437 -15.482 -6.228 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -6.187 -15.972 -7.355 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -5.392 -16.242 -5.037 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -4.436 -15.030 -5.868 1.00 0.00 H new ATOM 0 HE ARG B 22 -6.692 -13.892 -4.405 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -3.300 -14.856 -4.022 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -3.115 -13.817 -2.605 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -6.382 -12.682 -2.654 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -4.807 -12.625 -1.855 1.00 0.00 H new ATOM 655 N GLY B 23 -8.437 -11.897 -9.356 1.00 0.00 N ATOM 656 CA GLY B 23 -8.703 -10.507 -9.749 1.00 0.00 C ATOM 657 C GLY B 23 -8.160 -9.505 -8.720 1.00 0.00 C ATOM 658 O GLY B 23 -8.063 -9.821 -7.532 1.00 0.00 O ATOM 0 H GLY B 23 -9.282 -12.439 -9.174 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.249 -10.311 -10.720 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.777 -10.362 -9.865 1.00 0.00 H new ATOM 662 N PHE B 24 -7.809 -8.298 -9.168 1.00 0.00 N ATOM 663 CA PHE B 24 -7.292 -7.220 -8.313 1.00 0.00 C ATOM 664 C PHE B 24 -7.862 -5.835 -8.666 1.00 0.00 C ATOM 665 O PHE B 24 -8.237 -5.561 -9.808 1.00 0.00 O ATOM 666 CB PHE B 24 -5.757 -7.255 -8.280 1.00 0.00 C ATOM 667 CG PHE B 24 -5.045 -7.149 -9.618 1.00 0.00 C ATOM 668 CD1 PHE B 24 -4.837 -5.889 -10.211 1.00 0.00 C ATOM 669 CD2 PHE B 24 -4.557 -8.306 -10.256 1.00 0.00 C ATOM 670 CE1 PHE B 24 -4.159 -5.790 -11.437 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.881 -8.208 -11.482 1.00 0.00 C ATOM 672 CZ PHE B 24 -3.681 -6.950 -12.074 1.00 0.00 C ATOM 0 H PHE B 24 -7.876 -8.035 -10.151 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.648 -7.405 -7.299 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.411 -6.440 -7.645 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.448 -8.185 -7.802 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.200 -4.997 -9.722 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.704 -9.274 -9.799 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.004 -4.822 -11.891 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.515 -9.099 -11.970 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.161 -6.873 -13.017 1.00 0.00 H new ATOM 682 N PHE B 25 -7.915 -4.960 -7.662 1.00 0.00 N ATOM 683 CA PHE B 25 -8.606 -3.666 -7.666 1.00 0.00 C ATOM 684 C PHE B 25 -7.629 -2.475 -7.729 1.00 0.00 C ATOM 685 O PHE B 25 -7.592 -1.624 -6.839 1.00 0.00 O ATOM 686 CB PHE B 25 -9.563 -3.630 -6.462 1.00 0.00 C ATOM 687 CG PHE B 25 -10.498 -4.826 -6.386 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.569 -4.946 -7.293 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.269 -5.849 -5.444 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.406 -6.078 -7.253 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.099 -6.984 -5.407 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.171 -7.097 -6.311 1.00 0.00 C ATOM 0 H PHE B 25 -7.451 -5.144 -6.772 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.196 -3.561 -8.576 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.976 -3.580 -5.545 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -10.158 -2.718 -6.510 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.749 -4.168 -8.021 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.450 -5.761 -4.745 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.230 -6.164 -7.946 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.914 -7.767 -4.686 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.813 -7.965 -6.282 1.00 0.00 H new ATOM 702 N TYR B 26 -6.816 -2.426 -8.792 1.00 0.00 N ATOM 703 CA TYR B 26 -5.847 -1.354 -9.054 1.00 0.00 C ATOM 704 C TYR B 26 -6.526 0.022 -9.205 1.00 0.00 C ATOM 705 O TYR B 26 -7.446 0.197 -10.009 1.00 0.00 O ATOM 706 CB TYR B 26 -5.030 -1.724 -10.307 1.00 0.00 C ATOM 707 CG TYR B 26 -4.225 -0.600 -10.942 1.00 0.00 C ATOM 708 CD1 TYR B 26 -3.323 0.158 -10.172 1.00 0.00 C ATOM 709 CD2 TYR B 26 -4.366 -0.317 -12.315 1.00 0.00 C ATOM 710 CE1 TYR B 26 -2.566 1.188 -10.763 1.00 0.00 C ATOM 711 CE2 TYR B 26 -3.599 0.699 -12.919 1.00 0.00 C ATOM 712 CZ TYR B 26 -2.695 1.455 -12.141 1.00 0.00 C ATOM 713 OH TYR B 26 -1.959 2.444 -12.713 1.00 0.00 O ATOM 0 H TYR B 26 -6.814 -3.149 -9.512 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.180 -1.263 -8.197 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.344 -2.529 -10.043 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.714 -2.121 -11.057 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -3.210 -0.052 -9.119 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.068 -0.883 -12.909 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -1.887 1.773 -10.161 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.702 0.899 -13.975 1.00 0.00 H new ATOM 0 HH TYR B 26 -2.167 2.496 -13.669 1.00 0.00 H new ATOM 723 N THR B 27 -6.048 1.015 -8.452 1.00 0.00 N ATOM 724 CA THR B 27 -6.536 2.404 -8.476 1.00 0.00 C ATOM 725 C THR B 27 -5.819 3.212 -9.567 1.00 0.00 C ATOM 726 O THR B 27 -4.886 3.974 -9.297 1.00 0.00 O ATOM 727 CB THR B 27 -6.415 3.064 -7.091 1.00 0.00 C ATOM 728 OG1 THR B 27 -5.081 3.014 -6.625 1.00 0.00 O ATOM 729 CG2 THR B 27 -7.280 2.371 -6.039 1.00 0.00 C ATOM 0 H THR B 27 -5.287 0.875 -7.787 1.00 0.00 H new ATOM 0 HA THR B 27 -7.597 2.390 -8.725 1.00 0.00 H new ATOM 0 HB THR B 27 -6.750 4.093 -7.223 1.00 0.00 H new ATOM 0 HG1 THR B 27 -4.488 3.432 -7.284 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.159 2.874 -5.080 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.326 2.414 -6.342 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.973 1.330 -5.944 1.00 0.00 H new ATOM 737 N LYS B 28 -6.233 3.026 -10.828 1.00 0.00 N ATOM 738 CA LYS B 28 -5.634 3.689 -12.001 1.00 0.00 C ATOM 739 C LYS B 28 -5.798 5.230 -11.994 1.00 0.00 C ATOM 740 O LYS B 28 -6.718 5.736 -11.339 1.00 0.00 O ATOM 741 CB LYS B 28 -6.172 3.054 -13.295 1.00 0.00 C ATOM 742 CG LYS B 28 -7.614 3.463 -13.640 1.00 0.00 C ATOM 743 CD LYS B 28 -7.995 3.010 -15.052 1.00 0.00 C ATOM 744 CE LYS B 28 -9.184 3.815 -15.592 1.00 0.00 C ATOM 745 NZ LYS B 28 -8.782 5.186 -16.020 1.00 0.00 N ATOM 0 H LYS B 28 -7.004 2.403 -11.068 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.558 3.524 -11.950 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.519 3.331 -14.122 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.125 1.969 -13.202 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -8.302 3.025 -12.917 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.716 4.545 -13.562 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.140 3.129 -15.718 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -8.246 1.949 -15.041 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.626 3.286 -16.437 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.953 3.886 -14.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.632 5.757 -16.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.219 5.633 -15.269 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.214 5.126 -16.889 1.00 0.00 H new ATOM 759 N PRO B 29 -4.985 5.984 -12.764 1.00 0.00 N ATOM 760 CA PRO B 29 -5.189 7.417 -13.001 1.00 0.00 C ATOM 761 C PRO B 29 -6.545 7.742 -13.660 1.00 0.00 C ATOM 762 O PRO B 29 -7.115 6.924 -14.395 1.00 0.00 O ATOM 763 CB PRO B 29 -4.020 7.863 -13.884 1.00 0.00 C ATOM 764 CG PRO B 29 -2.931 6.837 -13.581 1.00 0.00 C ATOM 765 CD PRO B 29 -3.736 5.557 -13.376 1.00 0.00 C ATOM 0 HA PRO B 29 -5.215 7.952 -12.052 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -4.291 7.860 -14.940 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -3.697 8.875 -13.640 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -2.221 6.743 -14.403 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -2.358 7.103 -12.693 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -3.916 5.049 -14.324 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -3.203 4.855 -12.734 1.00 0.00 H new ATOM 773 N THR B 30 -7.044 8.960 -13.420 1.00 0.00 N ATOM 774 CA THR B 30 -8.329 9.493 -13.930 1.00 0.00 C ATOM 775 C THR B 30 -8.197 10.916 -14.477 1.00 0.00 C ATOM 776 O THR B 30 -8.662 11.162 -15.614 1.00 0.00 O ATOM 777 CB THR B 30 -9.439 9.453 -12.868 1.00 0.00 C ATOM 778 OG1 THR B 30 -9.006 10.051 -11.665 1.00 0.00 O ATOM 779 CG2 THR B 30 -9.884 8.021 -12.560 1.00 0.00 C ATOM 780 OXT THR B 30 -7.624 11.781 -13.775 1.00 0.00 O ATOM 0 H THR B 30 -6.548 9.637 -12.840 1.00 0.00 H new ATOM 0 HA THR B 30 -8.609 8.834 -14.751 1.00 0.00 H new ATOM 0 HB THR B 30 -10.282 10.007 -13.282 1.00 0.00 H new ATOM 0 HG1 THR B 30 -8.367 10.766 -11.867 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.670 8.039 -11.805 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.265 7.555 -13.469 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.035 7.448 -12.187 1.00 0.00 H new TER 788 THR B 30