USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 TYR OH : rot 165:sc= -4.98! USER MOD Set 1.2: A 45 TYR OH : rot 180:sc= -0.148 USER MOD Single : A 1 THR N :NH3+ -116:sc= 1.48 (180deg=-0.787) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.205 USER MOD Single : A 2 THR OG1 : rot 160:sc= -1.85 USER MOD Single : A 4 LYS NZ :NH3+ -132:sc= -0.0138 (180deg=-0.5) USER MOD Single : A 8 ASN : amide:sc= -0.331 K(o=-0.33,f=-2.2!) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.113) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= 0.0182 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.987 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -18:sc= -2.84! USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.63 USER MOD Single : A 50 LYS NZ :NH3+ -145:sc= -0.361 (180deg=-1.5!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0039 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.858 -12.481 -0.255 1.00 0.00 N ATOM 2 CA THR A 1 4.817 -11.993 -1.659 1.00 0.00 C ATOM 3 C THR A 1 5.356 -10.570 -1.766 1.00 0.00 C ATOM 4 O THR A 1 5.745 -9.966 -0.769 1.00 0.00 O ATOM 5 CB THR A 1 3.370 -12.054 -2.156 1.00 0.00 C ATOM 6 OG1 THR A 1 2.468 -12.179 -1.070 1.00 0.00 O ATOM 7 CG2 THR A 1 3.110 -13.207 -3.101 1.00 0.00 C ATOM 0 H1 THR A 1 5.511 -13.287 -0.187 1.00 0.00 H new ATOM 0 H2 THR A 1 5.186 -11.716 0.369 1.00 0.00 H new ATOM 0 H3 THR A 1 3.906 -12.781 0.036 1.00 0.00 H new ATOM 0 HA THR A 1 5.451 -12.628 -2.277 1.00 0.00 H new ATOM 0 HB THR A 1 3.212 -11.119 -2.694 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.550 -12.214 -1.410 1.00 0.00 H new ATOM 0 HG21 THR A 1 2.066 -13.192 -3.415 1.00 0.00 H new ATOM 0 HG22 THR A 1 3.754 -13.113 -3.976 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.323 -14.148 -2.594 1.00 0.00 H new ATOM 17 N THR A 2 5.373 -10.043 -2.986 1.00 0.00 N ATOM 18 CA THR A 2 5.862 -8.692 -3.229 1.00 0.00 C ATOM 19 C THR A 2 4.724 -7.679 -3.178 1.00 0.00 C ATOM 20 O THR A 2 3.774 -7.757 -3.959 1.00 0.00 O ATOM 21 CB THR A 2 6.567 -8.620 -4.586 1.00 0.00 C ATOM 22 OG1 THR A 2 7.201 -7.366 -4.754 1.00 0.00 O ATOM 23 CG2 THR A 2 5.627 -8.820 -5.758 1.00 0.00 C ATOM 0 H THR A 2 5.053 -10.532 -3.822 1.00 0.00 H new ATOM 0 HA THR A 2 6.575 -8.445 -2.442 1.00 0.00 H new ATOM 0 HB THR A 2 7.294 -9.432 -4.580 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.893 -7.439 -5.444 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.189 -8.757 -6.690 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.156 -9.800 -5.683 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.859 -8.046 -5.745 1.00 0.00 H new ATOM 31 N TYR A 3 4.826 -6.729 -2.256 1.00 0.00 N ATOM 32 CA TYR A 3 3.806 -5.697 -2.105 1.00 0.00 C ATOM 33 C TYR A 3 4.266 -4.388 -2.742 1.00 0.00 C ATOM 34 O TYR A 3 5.417 -3.983 -2.583 1.00 0.00 O ATOM 35 CB TYR A 3 3.486 -5.487 -0.625 1.00 0.00 C ATOM 36 CG TYR A 3 2.223 -6.193 -0.185 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.979 -5.605 -0.365 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.279 -7.454 0.388 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.178 -6.253 0.022 1.00 0.00 C ATOM 40 CE2 TYR A 3 1.126 -8.114 0.772 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.099 -7.508 0.588 1.00 0.00 C ATOM 42 OH TYR A 3 -1.248 -8.163 0.966 1.00 0.00 O ATOM 0 H TYR A 3 5.604 -6.651 -1.601 1.00 0.00 H new ATOM 0 HA TYR A 3 2.901 -6.026 -2.617 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.323 -5.844 -0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.385 -4.419 -0.429 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.914 -4.625 -0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.238 -7.928 0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.139 -5.780 -0.118 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.185 -9.098 1.213 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.049 -9.110 1.119 1.00 0.00 H new ATOM 52 N LYS A 4 3.365 -3.736 -3.473 1.00 0.00 N ATOM 53 CA LYS A 4 3.694 -2.480 -4.141 1.00 0.00 C ATOM 54 C LYS A 4 2.923 -1.306 -3.543 1.00 0.00 C ATOM 55 O LYS A 4 1.717 -1.390 -3.319 1.00 0.00 O ATOM 56 CB LYS A 4 3.397 -2.586 -5.639 1.00 0.00 C ATOM 57 CG LYS A 4 4.444 -1.920 -6.515 1.00 0.00 C ATOM 58 CD LYS A 4 3.806 -1.169 -7.674 1.00 0.00 C ATOM 59 CE LYS A 4 3.877 0.336 -7.475 1.00 0.00 C ATOM 60 NZ LYS A 4 5.272 0.847 -7.578 1.00 0.00 N ATOM 0 H LYS A 4 2.407 -4.054 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 4 4.758 -2.295 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.323 -3.638 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.426 -2.135 -5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.036 -1.229 -5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.129 -2.674 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.309 -1.437 -8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.765 -1.474 -7.776 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.254 0.830 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.468 0.592 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.471 1.477 -6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.937 0.047 -7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.384 1.374 -8.467 1.00 0.00 H new ATOM 74 N LEU A 5 3.630 -0.207 -3.294 1.00 0.00 N ATOM 75 CA LEU A 5 3.014 0.991 -2.734 1.00 0.00 C ATOM 76 C LEU A 5 3.387 2.222 -3.548 1.00 0.00 C ATOM 77 O LEU A 5 4.526 2.361 -4.002 1.00 0.00 O ATOM 78 CB LEU A 5 3.432 1.182 -1.273 1.00 0.00 C ATOM 79 CG LEU A 5 2.991 2.502 -0.637 1.00 0.00 C ATOM 80 CD1 LEU A 5 1.475 2.546 -0.499 1.00 0.00 C ATOM 81 CD2 LEU A 5 3.656 2.689 0.719 1.00 0.00 C ATOM 0 H LEU A 5 4.631 -0.122 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 5 1.932 0.862 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.025 0.360 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.518 1.112 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 5 3.302 3.319 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.178 3.491 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.017 2.457 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.143 1.721 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.331 3.633 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.375 1.868 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.739 2.701 0.595 1.00 0.00 H new ATOM 93 N ILE A 6 2.420 3.112 -3.739 1.00 0.00 N ATOM 94 CA ILE A 6 2.641 4.332 -4.503 1.00 0.00 C ATOM 95 C ILE A 6 2.243 5.564 -3.692 1.00 0.00 C ATOM 96 O ILE A 6 1.168 5.603 -3.095 1.00 0.00 O ATOM 97 CB ILE A 6 1.843 4.315 -5.830 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.811 5.706 -6.465 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.429 3.807 -5.591 1.00 0.00 C ATOM 100 CD1 ILE A 6 1.375 5.701 -7.914 1.00 0.00 C ATOM 0 H ILE A 6 1.473 3.010 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 6 3.706 4.381 -4.731 1.00 0.00 H new ATOM 0 HB ILE A 6 2.345 3.638 -6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.135 6.342 -5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.803 6.151 -6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.119 3.801 -6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.469 2.795 -5.188 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.077 4.461 -4.881 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.376 6.721 -8.298 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.064 5.092 -8.499 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.370 5.286 -7.990 1.00 0.00 H new ATOM 112 N LEU A 7 3.112 6.569 -3.686 1.00 0.00 N ATOM 113 CA LEU A 7 2.837 7.801 -2.956 1.00 0.00 C ATOM 114 C LEU A 7 2.992 9.021 -3.857 1.00 0.00 C ATOM 115 O LEU A 7 3.971 9.143 -4.592 1.00 0.00 O ATOM 116 CB LEU A 7 3.761 7.945 -1.746 1.00 0.00 C ATOM 117 CG LEU A 7 3.528 6.933 -0.618 1.00 0.00 C ATOM 118 CD1 LEU A 7 4.606 5.857 -0.636 1.00 0.00 C ATOM 119 CD2 LEU A 7 3.498 7.638 0.731 1.00 0.00 C ATOM 0 H LEU A 7 4.007 6.556 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 7 1.805 7.744 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.793 7.855 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.646 8.950 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 7 2.562 6.454 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.425 5.147 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.582 5.334 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.584 6.319 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.332 6.905 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.449 8.143 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.691 8.371 0.741 1.00 0.00 H new ATOM 131 N ASN A 8 2.021 9.925 -3.784 1.00 0.00 N ATOM 132 CA ASN A 8 2.051 11.143 -4.585 1.00 0.00 C ATOM 133 C ASN A 8 2.073 12.376 -3.685 1.00 0.00 C ATOM 134 O ASN A 8 1.027 12.865 -3.258 1.00 0.00 O ATOM 135 CB ASN A 8 0.844 11.195 -5.525 1.00 0.00 C ATOM 136 CG ASN A 8 1.250 11.370 -6.977 1.00 0.00 C ATOM 137 OD1 ASN A 8 2.174 12.116 -7.290 1.00 0.00 O ATOM 138 ND2 ASN A 8 0.552 10.677 -7.870 1.00 0.00 N ATOM 0 H ASN A 8 1.204 9.837 -3.179 1.00 0.00 H new ATOM 0 HA ASN A 8 2.961 11.136 -5.186 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.265 10.277 -5.420 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.193 12.018 -5.231 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.776 10.753 -8.862 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.208 10.069 -7.563 1.00 0.00 H new ATOM 145 N LEU A 9 3.273 12.870 -3.398 1.00 0.00 N ATOM 146 CA LEU A 9 3.433 14.043 -2.547 1.00 0.00 C ATOM 147 C LEU A 9 3.438 15.323 -3.377 1.00 0.00 C ATOM 148 O LEU A 9 3.504 15.273 -4.602 1.00 0.00 O ATOM 149 CB LEU A 9 4.731 13.940 -1.740 1.00 0.00 C ATOM 150 CG LEU A 9 4.618 13.188 -0.414 1.00 0.00 C ATOM 151 CD1 LEU A 9 5.988 13.029 0.228 1.00 0.00 C ATOM 152 CD2 LEU A 9 3.667 13.912 0.532 1.00 0.00 C ATOM 0 H LEU A 9 4.149 12.476 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 9 2.587 14.080 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.484 13.447 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.094 14.947 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 9 4.215 12.196 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.888 12.491 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.641 12.469 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.418 14.013 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.599 13.362 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.042 14.917 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.679 13.975 0.076 1.00 0.00 H new ATOM 164 N LYS A 10 3.359 16.455 -2.692 1.00 0.00 N ATOM 165 CA LYS A 10 3.359 17.751 -3.364 1.00 0.00 C ATOM 166 C LYS A 10 4.744 18.081 -3.922 1.00 0.00 C ATOM 167 O LYS A 10 4.871 18.775 -4.929 1.00 0.00 O ATOM 168 CB LYS A 10 2.907 18.851 -2.398 1.00 0.00 C ATOM 169 CG LYS A 10 1.477 19.304 -2.622 1.00 0.00 C ATOM 170 CD LYS A 10 1.407 20.498 -3.557 1.00 0.00 C ATOM 171 CE LYS A 10 1.894 21.771 -2.878 1.00 0.00 C ATOM 172 NZ LYS A 10 0.914 22.257 -1.872 1.00 0.00 N ATOM 0 H LYS A 10 3.294 16.505 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 10 2.658 17.698 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.009 18.489 -1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.572 19.709 -2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.895 18.481 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.023 19.563 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.012 20.303 -4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.380 20.636 -3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.852 21.583 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.062 22.544 -3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.150 23.233 -1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.043 22.233 -2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.948 21.646 -1.031 1.00 0.00 H new ATOM 186 N GLN A 11 5.775 17.575 -3.252 1.00 0.00 N ATOM 187 CA GLN A 11 7.146 17.810 -3.676 1.00 0.00 C ATOM 188 C GLN A 11 7.513 16.904 -4.849 1.00 0.00 C ATOM 189 O GLN A 11 7.926 17.377 -5.907 1.00 0.00 O ATOM 190 CB GLN A 11 8.111 17.586 -2.500 1.00 0.00 C ATOM 191 CG GLN A 11 9.583 17.498 -2.887 1.00 0.00 C ATOM 192 CD GLN A 11 10.433 16.883 -1.793 1.00 0.00 C ATOM 193 OE1 GLN A 11 10.417 15.672 -1.585 1.00 0.00 O ATOM 194 NE2 GLN A 11 11.188 17.723 -1.089 1.00 0.00 N ATOM 0 H GLN A 11 5.684 17.000 -2.414 1.00 0.00 H new ATOM 0 HA GLN A 11 7.232 18.845 -4.007 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.986 18.400 -1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.829 16.666 -1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.682 16.905 -3.796 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.956 18.496 -3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.170 18.721 -1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.785 17.368 -0.342 1.00 0.00 H new ATOM 203 N ALA A 12 7.359 15.598 -4.651 1.00 0.00 N ATOM 204 CA ALA A 12 7.676 14.629 -5.694 1.00 0.00 C ATOM 205 C ALA A 12 6.887 13.341 -5.504 1.00 0.00 C ATOM 206 O ALA A 12 6.350 13.082 -4.425 1.00 0.00 O ATOM 207 CB ALA A 12 9.172 14.343 -5.710 1.00 0.00 C ATOM 0 H ALA A 12 7.018 15.188 -3.781 1.00 0.00 H new ATOM 0 HA ALA A 12 7.390 15.057 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.396 13.618 -6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.717 15.267 -5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.476 13.939 -4.744 1.00 0.00 H new ATOM 213 N LYS A 13 6.822 12.534 -6.558 1.00 0.00 N ATOM 214 CA LYS A 13 6.095 11.265 -6.507 1.00 0.00 C ATOM 215 C LYS A 13 7.027 10.126 -6.107 1.00 0.00 C ATOM 216 O LYS A 13 8.058 9.898 -6.744 1.00 0.00 O ATOM 217 CB LYS A 13 5.461 10.967 -7.866 1.00 0.00 C ATOM 218 CG LYS A 13 4.470 9.825 -7.835 1.00 0.00 C ATOM 219 CD LYS A 13 3.504 9.892 -9.005 1.00 0.00 C ATOM 220 CE LYS A 13 4.145 9.395 -10.290 1.00 0.00 C ATOM 221 NZ LYS A 13 3.184 8.635 -11.134 1.00 0.00 N ATOM 0 H LYS A 13 7.262 12.733 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 13 5.309 11.350 -5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.958 11.864 -8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.249 10.734 -8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.006 8.876 -7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.912 9.852 -6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.621 9.293 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.166 10.920 -9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.531 10.244 -10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.997 8.759 -10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.504 8.650 -12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.133 7.651 -10.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.243 9.072 -11.068 1.00 0.00 H new ATOM 235 N GLU A 14 6.658 9.419 -5.048 1.00 0.00 N ATOM 236 CA GLU A 14 7.460 8.299 -4.560 1.00 0.00 C ATOM 237 C GLU A 14 6.745 6.973 -4.794 1.00 0.00 C ATOM 238 O GLU A 14 5.555 6.839 -4.510 1.00 0.00 O ATOM 239 CB GLU A 14 7.761 8.474 -3.069 1.00 0.00 C ATOM 240 CG GLU A 14 8.390 9.812 -2.729 1.00 0.00 C ATOM 241 CD GLU A 14 9.892 9.819 -2.932 1.00 0.00 C ATOM 242 OE1 GLU A 14 10.623 9.481 -1.977 1.00 0.00 O ATOM 243 OE2 GLU A 14 10.335 10.162 -4.048 1.00 0.00 O ATOM 0 H GLU A 14 5.811 9.598 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 14 8.398 8.287 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.835 8.363 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.429 7.675 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.940 10.588 -3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.166 10.061 -1.692 1.00 0.00 H new ATOM 250 N GLU A 15 7.481 5.995 -5.312 1.00 0.00 N ATOM 251 CA GLU A 15 6.919 4.677 -5.585 1.00 0.00 C ATOM 252 C GLU A 15 7.974 3.591 -5.400 1.00 0.00 C ATOM 253 O GLU A 15 9.096 3.713 -5.892 1.00 0.00 O ATOM 254 CB GLU A 15 6.358 4.622 -7.007 1.00 0.00 C ATOM 255 CG GLU A 15 5.034 5.350 -7.167 1.00 0.00 C ATOM 256 CD GLU A 15 4.604 5.465 -8.614 1.00 0.00 C ATOM 257 OE1 GLU A 15 4.708 4.460 -9.347 1.00 0.00 O ATOM 258 OE2 GLU A 15 4.160 6.562 -9.017 1.00 0.00 O ATOM 0 H GLU A 15 8.468 6.090 -5.551 1.00 0.00 H new ATOM 0 HA GLU A 15 6.109 4.500 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.086 5.055 -7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.227 3.579 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.264 4.823 -6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.118 6.348 -6.736 1.00 0.00 H new ATOM 265 N ALA A 16 7.610 2.526 -4.689 1.00 0.00 N ATOM 266 CA ALA A 16 8.532 1.422 -4.445 1.00 0.00 C ATOM 267 C ALA A 16 7.783 0.120 -4.181 1.00 0.00 C ATOM 268 O ALA A 16 6.561 0.113 -4.033 1.00 0.00 O ATOM 269 CB ALA A 16 9.449 1.751 -3.278 1.00 0.00 C ATOM 0 H ALA A 16 6.686 2.405 -4.274 1.00 0.00 H new ATOM 0 HA ALA A 16 9.135 1.283 -5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.132 0.919 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.022 2.649 -3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.851 1.921 -2.382 1.00 0.00 H new ATOM 275 N ILE A 17 8.528 -0.980 -4.126 1.00 0.00 N ATOM 276 CA ILE A 17 7.942 -2.292 -3.879 1.00 0.00 C ATOM 277 C ILE A 17 8.633 -2.984 -2.706 1.00 0.00 C ATOM 278 O ILE A 17 9.861 -2.998 -2.618 1.00 0.00 O ATOM 279 CB ILE A 17 8.040 -3.193 -5.129 1.00 0.00 C ATOM 280 CG1 ILE A 17 7.363 -4.544 -4.875 1.00 0.00 C ATOM 281 CG2 ILE A 17 9.494 -3.388 -5.531 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.055 -4.712 -5.615 1.00 0.00 C ATOM 0 H ILE A 17 9.540 -0.988 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 17 6.891 -2.135 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 17 7.519 -2.701 -5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.043 -5.343 -5.169 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.183 -4.656 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.545 -4.025 -6.414 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.942 -2.420 -5.756 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.038 -3.858 -4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.632 -5.691 -5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.358 -3.934 -5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.231 -4.632 -6.688 1.00 0.00 H new ATOM 294 N LYS A 18 7.838 -3.548 -1.803 1.00 0.00 N ATOM 295 CA LYS A 18 8.374 -4.231 -0.630 1.00 0.00 C ATOM 296 C LYS A 18 7.729 -5.603 -0.455 1.00 0.00 C ATOM 297 O LYS A 18 6.517 -5.753 -0.607 1.00 0.00 O ATOM 298 CB LYS A 18 8.156 -3.393 0.639 1.00 0.00 C ATOM 299 CG LYS A 18 7.961 -1.902 0.388 1.00 0.00 C ATOM 300 CD LYS A 18 9.245 -1.122 0.604 1.00 0.00 C ATOM 301 CE LYS A 18 10.123 -1.131 -0.637 1.00 0.00 C ATOM 302 NZ LYS A 18 11.160 -0.065 -0.591 1.00 0.00 N ATOM 0 H LYS A 18 6.820 -3.546 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 18 9.445 -4.363 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.283 -3.777 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.012 -3.528 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.609 -1.748 -0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.187 -1.519 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.005 -0.093 0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.795 -1.551 1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.606 -2.103 -0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.502 -0.995 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.737 -0.105 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.699 0.865 -0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.769 -0.209 0.240 1.00 0.00 H new ATOM 316 N GLU A 19 8.547 -6.601 -0.132 1.00 0.00 N ATOM 317 CA GLU A 19 8.053 -7.960 0.067 1.00 0.00 C ATOM 318 C GLU A 19 7.528 -8.148 1.486 1.00 0.00 C ATOM 319 O GLU A 19 8.086 -7.607 2.443 1.00 0.00 O ATOM 320 CB GLU A 19 9.165 -8.974 -0.219 1.00 0.00 C ATOM 321 CG GLU A 19 8.838 -9.932 -1.354 1.00 0.00 C ATOM 322 CD GLU A 19 9.035 -11.385 -0.967 1.00 0.00 C ATOM 323 OE1 GLU A 19 8.098 -11.982 -0.399 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.130 -11.926 -1.234 1.00 0.00 O ATOM 0 H GLU A 19 9.553 -6.494 -0.003 1.00 0.00 H new ATOM 0 HA GLU A 19 7.230 -8.127 -0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.082 -8.437 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.362 -9.549 0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.805 -9.780 -1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.468 -9.700 -2.213 1.00 0.00 H new ATOM 331 N LEU A 20 6.451 -8.917 1.619 1.00 0.00 N ATOM 332 CA LEU A 20 5.848 -9.177 2.925 1.00 0.00 C ATOM 333 C LEU A 20 5.235 -10.575 2.970 1.00 0.00 C ATOM 334 O LEU A 20 5.328 -11.333 2.007 1.00 0.00 O ATOM 335 CB LEU A 20 4.776 -8.126 3.244 1.00 0.00 C ATOM 336 CG LEU A 20 5.292 -6.818 3.854 1.00 0.00 C ATOM 337 CD1 LEU A 20 6.289 -7.094 4.969 1.00 0.00 C ATOM 338 CD2 LEU A 20 5.912 -5.933 2.781 1.00 0.00 C ATOM 0 H LEU A 20 5.977 -9.372 0.839 1.00 0.00 H new ATOM 0 HA LEU A 20 6.635 -9.117 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.239 -7.890 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.054 -8.567 3.931 1.00 0.00 H new ATOM 0 HG LEU A 20 4.443 -6.288 4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.640 -6.150 5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.806 -7.679 5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.136 -7.652 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.272 -5.010 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.746 -6.457 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.162 -5.698 2.025 1.00 0.00 H new ATOM 350 N VAL A 21 4.600 -10.907 4.094 1.00 0.00 N ATOM 351 CA VAL A 21 3.971 -12.213 4.254 1.00 0.00 C ATOM 352 C VAL A 21 2.502 -12.163 3.846 1.00 0.00 C ATOM 353 O VAL A 21 1.952 -13.143 3.342 1.00 0.00 O ATOM 354 CB VAL A 21 4.070 -12.709 5.708 1.00 0.00 C ATOM 355 CG1 VAL A 21 3.602 -14.154 5.813 1.00 0.00 C ATOM 356 CG2 VAL A 21 5.494 -12.563 6.225 1.00 0.00 C ATOM 0 H VAL A 21 4.509 -10.291 4.902 1.00 0.00 H new ATOM 0 HA VAL A 21 4.506 -12.906 3.605 1.00 0.00 H new ATOM 0 HB VAL A 21 3.417 -12.095 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.679 -14.487 6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.565 -14.225 5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.226 -14.786 5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.546 -12.918 7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.169 -13.152 5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.789 -11.514 6.188 1.00 0.00 H new ATOM 366 N ASP A 22 1.878 -11.013 4.064 1.00 0.00 N ATOM 367 CA ASP A 22 0.475 -10.819 3.720 1.00 0.00 C ATOM 368 C ASP A 22 0.147 -9.330 3.654 1.00 0.00 C ATOM 369 O ASP A 22 1.048 -8.493 3.603 1.00 0.00 O ATOM 370 CB ASP A 22 -0.425 -11.516 4.742 1.00 0.00 C ATOM 371 CG ASP A 22 -1.292 -12.590 4.115 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.625 -12.460 2.918 1.00 0.00 O ATOM 373 OD2 ASP A 22 -1.639 -13.561 4.819 1.00 0.00 O ATOM 0 H ASP A 22 2.324 -10.196 4.480 1.00 0.00 H new ATOM 0 HA ASP A 22 0.294 -11.260 2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.193 -11.962 5.521 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.062 -10.775 5.225 1.00 0.00 H new ATOM 378 N ALA A 23 -1.141 -9.000 3.661 1.00 0.00 N ATOM 379 CA ALA A 23 -1.559 -7.606 3.608 1.00 0.00 C ATOM 380 C ALA A 23 -1.554 -6.986 4.998 1.00 0.00 C ATOM 381 O ALA A 23 -1.115 -5.850 5.174 1.00 0.00 O ATOM 382 CB ALA A 23 -2.931 -7.477 2.975 1.00 0.00 C ATOM 0 H ALA A 23 -1.906 -9.673 3.702 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.844 -7.065 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.221 -6.427 2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.902 -7.873 1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.657 -8.038 3.563 1.00 0.00 H new ATOM 388 N ALA A 24 -2.028 -7.739 5.985 1.00 0.00 N ATOM 389 CA ALA A 24 -2.057 -7.255 7.359 1.00 0.00 C ATOM 390 C ALA A 24 -0.696 -6.686 7.734 1.00 0.00 C ATOM 391 O ALA A 24 -0.589 -5.567 8.245 1.00 0.00 O ATOM 392 CB ALA A 24 -2.450 -8.374 8.312 1.00 0.00 C ATOM 0 H ALA A 24 -2.395 -8.682 5.860 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.804 -6.465 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.466 -7.993 9.333 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.440 -8.746 8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.726 -9.185 8.239 1.00 0.00 H new ATOM 398 N THR A 25 0.349 -7.457 7.448 1.00 0.00 N ATOM 399 CA THR A 25 1.703 -7.022 7.727 1.00 0.00 C ATOM 400 C THR A 25 2.079 -5.889 6.787 1.00 0.00 C ATOM 401 O THR A 25 2.692 -4.904 7.198 1.00 0.00 O ATOM 402 CB THR A 25 2.692 -8.185 7.580 1.00 0.00 C ATOM 403 OG1 THR A 25 3.917 -7.885 8.222 1.00 0.00 O ATOM 404 CG2 THR A 25 3.004 -8.533 6.143 1.00 0.00 C ATOM 0 H THR A 25 0.279 -8.382 7.025 1.00 0.00 H new ATOM 0 HA THR A 25 1.751 -6.667 8.756 1.00 0.00 H new ATOM 0 HB THR A 25 2.199 -9.039 8.044 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.534 -8.639 8.118 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.709 -9.363 6.115 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.086 -8.819 5.630 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.442 -7.668 5.646 1.00 0.00 H new ATOM 412 N ALA A 26 1.684 -6.025 5.522 1.00 0.00 N ATOM 413 CA ALA A 26 1.960 -4.992 4.535 1.00 0.00 C ATOM 414 C ALA A 26 1.489 -3.653 5.076 1.00 0.00 C ATOM 415 O ALA A 26 2.258 -2.706 5.193 1.00 0.00 O ATOM 416 CB ALA A 26 1.267 -5.314 3.216 1.00 0.00 C ATOM 0 H ALA A 26 1.177 -6.834 5.162 1.00 0.00 H new ATOM 0 HA ALA A 26 3.032 -4.947 4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.485 -4.531 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.630 -6.270 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.190 -5.372 3.375 1.00 0.00 H new ATOM 422 N GLU A 27 0.217 -3.610 5.435 1.00 0.00 N ATOM 423 CA GLU A 27 -0.389 -2.419 6.004 1.00 0.00 C ATOM 424 C GLU A 27 0.458 -1.871 7.145 1.00 0.00 C ATOM 425 O GLU A 27 0.535 -0.663 7.348 1.00 0.00 O ATOM 426 CB GLU A 27 -1.783 -2.756 6.527 1.00 0.00 C ATOM 427 CG GLU A 27 -2.843 -2.829 5.440 1.00 0.00 C ATOM 428 CD GLU A 27 -4.245 -2.627 5.979 1.00 0.00 C ATOM 429 OE1 GLU A 27 -4.623 -1.461 6.222 1.00 0.00 O ATOM 430 OE2 GLU A 27 -4.966 -3.630 6.156 1.00 0.00 O ATOM 0 H GLU A 27 -0.423 -4.398 5.340 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.456 -1.660 5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.744 -3.712 7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.078 -2.005 7.260 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.636 -2.072 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.784 -3.798 4.945 1.00 0.00 H new ATOM 437 N LYS A 28 1.097 -2.771 7.883 1.00 0.00 N ATOM 438 CA LYS A 28 1.944 -2.370 8.999 1.00 0.00 C ATOM 439 C LYS A 28 3.242 -1.758 8.485 1.00 0.00 C ATOM 440 O LYS A 28 3.681 -0.708 8.954 1.00 0.00 O ATOM 441 CB LYS A 28 2.247 -3.570 9.896 1.00 0.00 C ATOM 442 CG LYS A 28 1.464 -3.569 11.200 1.00 0.00 C ATOM 443 CD LYS A 28 1.053 -4.974 11.608 1.00 0.00 C ATOM 444 CE LYS A 28 2.258 -5.824 11.971 1.00 0.00 C ATOM 445 NZ LYS A 28 1.969 -7.280 11.851 1.00 0.00 N ATOM 0 H LYS A 28 1.045 -3.778 7.730 1.00 0.00 H new ATOM 0 HA LYS A 28 1.412 -1.621 9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.025 -4.487 9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.313 -3.584 10.122 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.070 -3.123 11.989 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.576 -2.947 11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.373 -4.923 12.459 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.507 -5.446 10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.094 -5.565 11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.567 -5.598 12.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.817 -7.825 12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.189 -7.533 12.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.699 -7.501 10.871 1.00 0.00 H new ATOM 459 N TYR A 29 3.845 -2.427 7.511 1.00 0.00 N ATOM 460 CA TYR A 29 5.093 -1.965 6.918 1.00 0.00 C ATOM 461 C TYR A 29 4.845 -0.800 5.964 1.00 0.00 C ATOM 462 O TYR A 29 5.404 0.284 6.128 1.00 0.00 O ATOM 463 CB TYR A 29 5.768 -3.115 6.166 1.00 0.00 C ATOM 464 CG TYR A 29 7.047 -2.714 5.466 1.00 0.00 C ATOM 465 CD1 TYR A 29 7.009 -1.926 4.324 1.00 0.00 C ATOM 466 CD2 TYR A 29 8.283 -3.117 5.947 1.00 0.00 C ATOM 467 CE1 TYR A 29 8.171 -1.550 3.679 1.00 0.00 C ATOM 468 CE2 TYR A 29 9.451 -2.747 5.307 1.00 0.00 C ATOM 469 CZ TYR A 29 9.389 -1.964 4.174 1.00 0.00 C ATOM 470 OH TYR A 29 10.550 -1.593 3.534 1.00 0.00 O ATOM 0 H TYR A 29 3.488 -3.296 7.113 1.00 0.00 H new ATOM 0 HA TYR A 29 5.746 -1.620 7.720 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.985 -3.919 6.869 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.071 -3.515 5.430 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.056 -1.602 3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.334 -3.729 6.835 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.126 -0.935 2.792 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.407 -3.070 5.692 1.00 0.00 H new ATOM 0 HH TYR A 29 11.320 -1.966 4.011 1.00 0.00 H new ATOM 480 N PHE A 30 4.014 -1.046 4.955 1.00 0.00 N ATOM 481 CA PHE A 30 3.693 -0.040 3.953 1.00 0.00 C ATOM 482 C PHE A 30 3.206 1.259 4.591 1.00 0.00 C ATOM 483 O PHE A 30 3.437 2.345 4.057 1.00 0.00 O ATOM 484 CB PHE A 30 2.642 -0.598 2.977 1.00 0.00 C ATOM 485 CG PHE A 30 3.186 -0.994 1.623 1.00 0.00 C ATOM 486 CD1 PHE A 30 4.471 -0.640 1.223 1.00 0.00 C ATOM 487 CD2 PHE A 30 2.408 -1.737 0.747 1.00 0.00 C ATOM 488 CE1 PHE A 30 4.961 -1.015 -0.012 1.00 0.00 C ATOM 489 CE2 PHE A 30 2.893 -2.114 -0.490 1.00 0.00 C ATOM 490 CZ PHE A 30 4.170 -1.753 -0.870 1.00 0.00 C ATOM 0 H PHE A 30 3.548 -1.942 4.811 1.00 0.00 H new ATOM 0 HA PHE A 30 4.604 0.197 3.403 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.169 -1.468 3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.863 0.151 2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.095 -0.063 1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.408 -2.025 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.961 -0.732 -0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.273 -2.691 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.550 -2.047 -1.837 1.00 0.00 H new ATOM 500 N LYS A 31 2.548 1.150 5.743 1.00 0.00 N ATOM 501 CA LYS A 31 2.055 2.333 6.442 1.00 0.00 C ATOM 502 C LYS A 31 3.197 3.030 7.173 1.00 0.00 C ATOM 503 O LYS A 31 3.226 4.255 7.275 1.00 0.00 O ATOM 504 CB LYS A 31 0.952 1.956 7.432 1.00 0.00 C ATOM 505 CG LYS A 31 0.382 3.145 8.186 1.00 0.00 C ATOM 506 CD LYS A 31 -1.008 2.848 8.724 1.00 0.00 C ATOM 507 CE LYS A 31 -1.690 4.106 9.233 1.00 0.00 C ATOM 508 NZ LYS A 31 -3.175 3.986 9.202 1.00 0.00 N ATOM 0 H LYS A 31 2.346 0.265 6.208 1.00 0.00 H new ATOM 0 HA LYS A 31 1.638 3.017 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.146 1.457 6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.349 1.237 8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.045 3.406 9.011 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.340 4.011 7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.614 2.397 7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.938 2.119 9.531 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.364 4.308 10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.382 4.957 8.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.602 4.865 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.489 3.819 8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.472 3.190 9.802 1.00 0.00 H new ATOM 522 N LEU A 32 4.139 2.235 7.675 1.00 0.00 N ATOM 523 CA LEU A 32 5.288 2.774 8.390 1.00 0.00 C ATOM 524 C LEU A 32 6.219 3.522 7.435 1.00 0.00 C ATOM 525 O LEU A 32 6.988 4.385 7.854 1.00 0.00 O ATOM 526 CB LEU A 32 6.050 1.646 9.092 1.00 0.00 C ATOM 527 CG LEU A 32 6.015 1.701 10.619 1.00 0.00 C ATOM 528 CD1 LEU A 32 5.028 0.680 11.163 1.00 0.00 C ATOM 529 CD2 LEU A 32 7.401 1.461 11.197 1.00 0.00 C ATOM 0 H LEU A 32 4.128 1.218 7.599 1.00 0.00 H new ATOM 0 HA LEU A 32 4.926 3.478 9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.637 0.691 8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.090 1.671 8.765 1.00 0.00 H new ATOM 0 HG LEU A 32 5.687 2.696 10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.014 0.731 12.252 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.032 0.896 10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.330 -0.320 10.851 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.354 1.504 12.285 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.759 0.479 10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.085 2.228 10.833 1.00 0.00 H new ATOM 541 N TYR A 33 6.140 3.185 6.149 1.00 0.00 N ATOM 542 CA TYR A 33 6.972 3.823 5.138 1.00 0.00 C ATOM 543 C TYR A 33 6.360 5.146 4.692 1.00 0.00 C ATOM 544 O TYR A 33 7.017 6.185 4.713 1.00 0.00 O ATOM 545 CB TYR A 33 7.145 2.885 3.938 1.00 0.00 C ATOM 546 CG TYR A 33 7.761 3.554 2.727 1.00 0.00 C ATOM 547 CD1 TYR A 33 6.991 4.339 1.878 1.00 0.00 C ATOM 548 CD2 TYR A 33 9.110 3.398 2.436 1.00 0.00 C ATOM 549 CE1 TYR A 33 7.550 4.951 0.771 1.00 0.00 C ATOM 550 CE2 TYR A 33 9.677 4.008 1.332 1.00 0.00 C ATOM 551 CZ TYR A 33 8.892 4.783 0.503 1.00 0.00 C ATOM 552 OH TYR A 33 9.451 5.391 -0.597 1.00 0.00 O ATOM 0 H TYR A 33 5.507 2.473 5.785 1.00 0.00 H new ATOM 0 HA TYR A 33 7.950 4.030 5.572 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.770 2.042 4.234 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.172 2.479 3.662 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.940 4.473 2.086 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.726 2.791 3.082 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.938 5.558 0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 33 10.728 3.879 1.120 1.00 0.00 H new ATOM 0 HH TYR A 33 10.405 5.173 -0.642 1.00 0.00 H new ATOM 562 N ALA A 34 5.097 5.099 4.284 1.00 0.00 N ATOM 563 CA ALA A 34 4.400 6.294 3.826 1.00 0.00 C ATOM 564 C ALA A 34 4.213 7.298 4.958 1.00 0.00 C ATOM 565 O ALA A 34 4.127 8.502 4.723 1.00 0.00 O ATOM 566 CB ALA A 34 3.057 5.918 3.221 1.00 0.00 C ATOM 0 H ALA A 34 4.536 4.248 4.261 1.00 0.00 H new ATOM 0 HA ALA A 34 5.013 6.769 3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.545 6.819 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.214 5.250 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.448 5.415 3.972 1.00 0.00 H new ATOM 572 N ASN A 35 4.149 6.796 6.187 1.00 0.00 N ATOM 573 CA ASN A 35 3.970 7.657 7.353 1.00 0.00 C ATOM 574 C ASN A 35 5.290 8.298 7.772 1.00 0.00 C ATOM 575 O ASN A 35 5.330 9.469 8.147 1.00 0.00 O ATOM 576 CB ASN A 35 3.387 6.857 8.519 1.00 0.00 C ATOM 577 CG ASN A 35 2.953 7.742 9.670 1.00 0.00 C ATOM 578 OD1 ASN A 35 2.226 8.716 9.476 1.00 0.00 O ATOM 579 ND2 ASN A 35 3.396 7.408 10.876 1.00 0.00 N ATOM 0 H ASN A 35 4.218 5.801 6.402 1.00 0.00 H new ATOM 0 HA ASN A 35 3.275 8.451 7.080 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.533 6.279 8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.131 6.144 8.874 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.135 7.967 11.688 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.997 6.592 10.991 1.00 0.00 H new ATOM 586 N ALA A 36 6.366 7.523 7.708 1.00 0.00 N ATOM 587 CA ALA A 36 7.685 8.015 8.085 1.00 0.00 C ATOM 588 C ALA A 36 8.425 8.595 6.884 1.00 0.00 C ATOM 589 O ALA A 36 8.754 9.781 6.858 1.00 0.00 O ATOM 590 CB ALA A 36 8.503 6.900 8.720 1.00 0.00 C ATOM 0 H ALA A 36 6.351 6.551 7.399 1.00 0.00 H new ATOM 0 HA ALA A 36 7.549 8.814 8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.486 7.282 8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.991 6.536 9.611 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.619 6.083 8.008 1.00 0.00 H new ATOM 596 N LYS A 37 8.690 7.749 5.894 1.00 0.00 N ATOM 597 CA LYS A 37 9.398 8.171 4.690 1.00 0.00 C ATOM 598 C LYS A 37 8.710 9.363 4.030 1.00 0.00 C ATOM 599 O LYS A 37 9.363 10.198 3.401 1.00 0.00 O ATOM 600 CB LYS A 37 9.493 7.008 3.699 1.00 0.00 C ATOM 601 CG LYS A 37 10.896 6.787 3.157 1.00 0.00 C ATOM 602 CD LYS A 37 11.620 5.689 3.919 1.00 0.00 C ATOM 603 CE LYS A 37 12.722 5.062 3.081 1.00 0.00 C ATOM 604 NZ LYS A 37 13.833 6.020 2.819 1.00 0.00 N ATOM 0 H LYS A 37 8.424 6.764 5.902 1.00 0.00 H new ATOM 0 HA LYS A 37 10.402 8.479 4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.153 6.095 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.815 7.194 2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.842 6.524 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.464 7.715 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.047 6.100 4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.907 4.921 4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.113 4.184 3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.307 4.719 2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.565 5.555 2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.465 6.847 2.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.246 6.328 3.722 1.00 0.00 H new ATOM 618 N THR A 38 7.391 9.442 4.172 1.00 0.00 N ATOM 619 CA THR A 38 6.625 10.537 3.581 1.00 0.00 C ATOM 620 C THR A 38 5.477 10.963 4.499 1.00 0.00 C ATOM 621 O THR A 38 5.537 10.761 5.712 1.00 0.00 O ATOM 622 CB THR A 38 6.085 10.118 2.210 1.00 0.00 C ATOM 623 OG1 THR A 38 4.966 9.264 2.352 1.00 0.00 O ATOM 624 CG2 THR A 38 7.107 9.397 1.358 1.00 0.00 C ATOM 0 H THR A 38 6.831 8.764 4.689 1.00 0.00 H new ATOM 0 HA THR A 38 7.289 11.392 3.455 1.00 0.00 H new ATOM 0 HB THR A 38 5.812 11.048 1.711 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.947 8.899 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.659 9.129 0.401 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.964 10.049 1.187 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.436 8.493 1.871 1.00 0.00 H new ATOM 632 N VAL A 39 4.431 11.559 3.920 1.00 0.00 N ATOM 633 CA VAL A 39 3.282 12.014 4.696 1.00 0.00 C ATOM 634 C VAL A 39 2.053 11.156 4.407 1.00 0.00 C ATOM 635 O VAL A 39 2.078 10.296 3.525 1.00 0.00 O ATOM 636 CB VAL A 39 2.945 13.493 4.401 1.00 0.00 C ATOM 637 CG1 VAL A 39 2.308 14.148 5.614 1.00 0.00 C ATOM 638 CG2 VAL A 39 4.189 14.257 3.969 1.00 0.00 C ATOM 0 H VAL A 39 4.359 11.736 2.918 1.00 0.00 H new ATOM 0 HA VAL A 39 3.554 11.918 5.747 1.00 0.00 H new ATOM 0 HB VAL A 39 2.229 13.521 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.078 15.189 5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.389 13.621 5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.999 14.105 6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.926 15.295 3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.934 14.219 4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.599 13.804 3.066 1.00 0.00 H new ATOM 648 N GLU A 40 0.978 11.398 5.151 1.00 0.00 N ATOM 649 CA GLU A 40 -0.261 10.646 4.976 1.00 0.00 C ATOM 650 C GLU A 40 -1.238 11.410 4.087 1.00 0.00 C ATOM 651 O GLU A 40 -1.152 12.632 3.960 1.00 0.00 O ATOM 652 CB GLU A 40 -0.903 10.363 6.335 1.00 0.00 C ATOM 653 CG GLU A 40 -1.670 9.053 6.385 1.00 0.00 C ATOM 654 CD GLU A 40 -2.579 8.955 7.595 1.00 0.00 C ATOM 655 OE1 GLU A 40 -2.905 10.004 8.174 1.00 0.00 O ATOM 656 OE2 GLU A 40 -2.961 7.824 7.962 1.00 0.00 O ATOM 0 H GLU A 40 0.939 12.109 5.881 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.020 9.700 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.125 10.348 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.580 11.180 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.266 8.950 5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.964 8.223 6.398 1.00 0.00 H new ATOM 663 N GLY A 41 -2.170 10.684 3.476 1.00 0.00 N ATOM 664 CA GLY A 41 -3.143 11.306 2.609 1.00 0.00 C ATOM 665 C GLY A 41 -4.282 10.376 2.243 1.00 0.00 C ATOM 666 O GLY A 41 -4.742 9.595 3.077 1.00 0.00 O ATOM 0 H GLY A 41 -2.265 9.673 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.546 12.192 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.648 11.643 1.698 1.00 0.00 H new ATOM 670 N VAL A 42 -4.739 10.450 0.995 1.00 0.00 N ATOM 671 CA VAL A 42 -5.827 9.597 0.530 1.00 0.00 C ATOM 672 C VAL A 42 -5.330 8.194 0.253 1.00 0.00 C ATOM 673 O VAL A 42 -4.573 7.958 -0.685 1.00 0.00 O ATOM 674 CB VAL A 42 -6.492 10.162 -0.738 1.00 0.00 C ATOM 675 CG1 VAL A 42 -7.747 9.379 -1.077 1.00 0.00 C ATOM 676 CG2 VAL A 42 -6.802 11.639 -0.561 1.00 0.00 C ATOM 0 H VAL A 42 -4.373 11.090 0.290 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.571 9.568 1.327 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.796 10.059 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.203 9.794 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.489 8.334 -1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.452 9.446 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.272 12.023 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.479 11.770 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.878 12.185 -0.372 1.00 0.00 H new ATOM 686 N TRP A 43 -5.760 7.271 1.097 1.00 0.00 N ATOM 687 CA TRP A 43 -5.365 5.878 0.995 1.00 0.00 C ATOM 688 C TRP A 43 -6.247 5.109 0.012 1.00 0.00 C ATOM 689 O TRP A 43 -7.436 5.398 -0.132 1.00 0.00 O ATOM 690 CB TRP A 43 -5.444 5.242 2.375 1.00 0.00 C ATOM 691 CG TRP A 43 -4.206 5.444 3.190 1.00 0.00 C ATOM 692 CD1 TRP A 43 -3.883 6.543 3.932 1.00 0.00 C ATOM 693 CD2 TRP A 43 -3.124 4.522 3.343 1.00 0.00 C ATOM 694 NE1 TRP A 43 -2.664 6.359 4.540 1.00 0.00 N ATOM 695 CE2 TRP A 43 -2.180 5.127 4.194 1.00 0.00 C ATOM 696 CE3 TRP A 43 -2.862 3.245 2.847 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -0.990 4.495 4.555 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -1.684 2.618 3.205 1.00 0.00 C ATOM 699 CH2 TRP A 43 -0.762 3.242 4.053 1.00 0.00 C ATOM 0 H TRP A 43 -6.393 7.467 1.872 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.344 5.834 0.616 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.296 5.659 2.912 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.628 4.173 2.265 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.495 7.427 4.027 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.197 7.031 5.149 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.568 2.754 2.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.275 4.976 5.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.471 1.630 2.824 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.148 2.724 4.317 1.00 0.00 H new ATOM 710 N THR A 44 -5.650 4.126 -0.649 1.00 0.00 N ATOM 711 CA THR A 44 -6.361 3.294 -1.611 1.00 0.00 C ATOM 712 C THR A 44 -5.656 1.951 -1.769 1.00 0.00 C ATOM 713 O THR A 44 -4.425 1.889 -1.790 1.00 0.00 O ATOM 714 CB THR A 44 -6.454 4.001 -2.963 1.00 0.00 C ATOM 715 OG1 THR A 44 -7.043 5.280 -2.821 1.00 0.00 O ATOM 716 CG2 THR A 44 -7.261 3.233 -3.988 1.00 0.00 C ATOM 0 H THR A 44 -4.666 3.884 -0.535 1.00 0.00 H new ATOM 0 HA THR A 44 -7.371 3.120 -1.239 1.00 0.00 H new ATOM 0 HB THR A 44 -5.427 4.077 -3.319 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.092 5.717 -3.697 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.286 3.791 -4.924 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.801 2.260 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.278 3.094 -3.621 1.00 0.00 H new ATOM 724 N TYR A 45 -6.432 0.878 -1.863 1.00 0.00 N ATOM 725 CA TYR A 45 -5.860 -0.459 -2.003 1.00 0.00 C ATOM 726 C TYR A 45 -6.306 -1.129 -3.297 1.00 0.00 C ATOM 727 O TYR A 45 -7.373 -0.830 -3.832 1.00 0.00 O ATOM 728 CB TYR A 45 -6.254 -1.327 -0.807 1.00 0.00 C ATOM 729 CG TYR A 45 -5.672 -2.723 -0.855 1.00 0.00 C ATOM 730 CD1 TYR A 45 -4.297 -2.926 -0.826 1.00 0.00 C ATOM 731 CD2 TYR A 45 -6.496 -3.838 -0.930 1.00 0.00 C ATOM 732 CE1 TYR A 45 -3.762 -4.199 -0.871 1.00 0.00 C ATOM 733 CE2 TYR A 45 -5.970 -5.114 -0.975 1.00 0.00 C ATOM 734 CZ TYR A 45 -4.603 -5.291 -0.944 1.00 0.00 C ATOM 735 OH TYR A 45 -4.074 -6.558 -0.989 1.00 0.00 O ATOM 0 H TYR A 45 -7.451 0.905 -1.845 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.776 -0.353 -2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.927 -0.837 0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.341 -1.397 -0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.636 -2.074 -0.767 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.568 -3.705 -0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.691 -4.339 -0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.626 -5.970 -1.034 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.800 -7.214 -1.038 1.00 0.00 H new ATOM 745 N LYS A 46 -5.478 -2.047 -3.786 1.00 0.00 N ATOM 746 CA LYS A 46 -5.773 -2.779 -5.010 1.00 0.00 C ATOM 747 C LYS A 46 -5.689 -4.282 -4.763 1.00 0.00 C ATOM 748 O LYS A 46 -4.627 -4.803 -4.416 1.00 0.00 O ATOM 749 CB LYS A 46 -4.806 -2.372 -6.123 1.00 0.00 C ATOM 750 CG LYS A 46 -5.496 -1.904 -7.383 1.00 0.00 C ATOM 751 CD LYS A 46 -5.681 -3.045 -8.374 1.00 0.00 C ATOM 752 CE LYS A 46 -5.826 -2.531 -9.802 1.00 0.00 C ATOM 753 NZ LYS A 46 -4.500 -2.280 -10.431 1.00 0.00 N ATOM 0 H LYS A 46 -4.592 -2.302 -3.349 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.787 -2.532 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.158 -1.576 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.165 -3.220 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.467 -1.479 -7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.911 -1.110 -7.846 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.828 -3.721 -8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.565 -3.623 -8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.380 -3.258 -10.396 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.409 -1.610 -9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.636 -1.931 -11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.982 -1.568 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.954 -3.165 -10.455 1.00 0.00 H new ATOM 767 N ASP A 47 -6.813 -4.970 -4.934 1.00 0.00 N ATOM 768 CA ASP A 47 -6.868 -6.412 -4.719 1.00 0.00 C ATOM 769 C ASP A 47 -6.635 -7.179 -6.021 1.00 0.00 C ATOM 770 O ASP A 47 -7.124 -8.292 -6.183 1.00 0.00 O ATOM 771 CB ASP A 47 -8.218 -6.805 -4.114 1.00 0.00 C ATOM 772 CG ASP A 47 -8.085 -7.335 -2.699 1.00 0.00 C ATOM 773 OD1 ASP A 47 -7.421 -8.379 -2.517 1.00 0.00 O ATOM 774 OD2 ASP A 47 -8.640 -6.708 -1.777 1.00 0.00 O ATOM 0 H ASP A 47 -7.698 -4.553 -5.221 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.071 -6.677 -4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.879 -5.938 -4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.687 -7.564 -4.741 1.00 0.00 H new ATOM 779 N GLU A 48 -5.881 -6.577 -6.935 1.00 0.00 N ATOM 780 CA GLU A 48 -5.581 -7.210 -8.212 1.00 0.00 C ATOM 781 C GLU A 48 -4.165 -7.782 -8.205 1.00 0.00 C ATOM 782 O GLU A 48 -3.881 -8.762 -8.895 1.00 0.00 O ATOM 783 CB GLU A 48 -5.737 -6.204 -9.356 1.00 0.00 C ATOM 784 CG GLU A 48 -6.413 -6.785 -10.581 1.00 0.00 C ATOM 785 CD GLU A 48 -5.852 -6.224 -11.871 1.00 0.00 C ATOM 786 OE1 GLU A 48 -5.223 -5.147 -11.834 1.00 0.00 O ATOM 787 OE2 GLU A 48 -6.046 -6.860 -12.936 1.00 0.00 O ATOM 0 H GLU A 48 -5.467 -5.652 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.286 -8.027 -8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.314 -5.350 -9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.753 -5.829 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.295 -7.869 -10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.483 -6.580 -10.534 1.00 0.00 H new ATOM 794 N THR A 49 -3.287 -7.167 -7.423 1.00 0.00 N ATOM 795 CA THR A 49 -1.902 -7.616 -7.322 1.00 0.00 C ATOM 796 C THR A 49 -1.259 -7.114 -6.040 1.00 0.00 C ATOM 797 O THR A 49 -0.045 -6.916 -5.978 1.00 0.00 O ATOM 798 CB THR A 49 -1.098 -7.132 -8.528 1.00 0.00 C ATOM 799 OG1 THR A 49 -1.954 -6.862 -9.623 1.00 0.00 O ATOM 800 CG2 THR A 49 -0.060 -8.128 -8.999 1.00 0.00 C ATOM 0 H THR A 49 -3.509 -6.354 -6.848 1.00 0.00 H new ATOM 0 HA THR A 49 -1.902 -8.706 -7.305 1.00 0.00 H new ATOM 0 HB THR A 49 -0.587 -6.231 -8.189 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.422 -6.552 -10.385 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.473 -7.719 -9.857 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.647 -8.325 -8.193 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.552 -9.058 -9.286 1.00 0.00 H new ATOM 808 N LYS A 50 -2.078 -6.904 -5.011 1.00 0.00 N ATOM 809 CA LYS A 50 -1.587 -6.419 -3.724 1.00 0.00 C ATOM 810 C LYS A 50 -0.787 -5.132 -3.895 1.00 0.00 C ATOM 811 O LYS A 50 0.446 -5.144 -3.859 1.00 0.00 O ATOM 812 CB LYS A 50 -0.723 -7.487 -3.052 1.00 0.00 C ATOM 813 CG LYS A 50 -1.527 -8.550 -2.319 1.00 0.00 C ATOM 814 CD LYS A 50 -2.187 -9.517 -3.289 1.00 0.00 C ATOM 815 CE LYS A 50 -2.123 -10.948 -2.781 1.00 0.00 C ATOM 816 NZ LYS A 50 -0.733 -11.349 -2.424 1.00 0.00 N ATOM 0 H LYS A 50 -3.085 -7.062 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.448 -6.206 -3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.103 -7.969 -3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.047 -7.004 -2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.873 -9.101 -1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.290 -8.072 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.228 -9.230 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.695 -9.452 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.767 -11.052 -1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.511 -11.622 -3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.591 -12.353 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.056 -10.772 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.580 -11.202 -1.406 1.00 0.00 H new ATOM 830 N THR A 51 -1.490 -4.020 -4.085 1.00 0.00 N ATOM 831 CA THR A 51 -0.832 -2.732 -4.267 1.00 0.00 C ATOM 832 C THR A 51 -1.571 -1.613 -3.539 1.00 0.00 C ATOM 833 O THR A 51 -2.752 -1.367 -3.788 1.00 0.00 O ATOM 834 CB THR A 51 -0.726 -2.401 -5.757 1.00 0.00 C ATOM 835 OG1 THR A 51 -0.055 -3.434 -6.454 1.00 0.00 O ATOM 836 CG2 THR A 51 0.010 -1.107 -6.032 1.00 0.00 C ATOM 0 H THR A 51 -2.509 -3.985 -4.117 1.00 0.00 H new ATOM 0 HA THR A 51 0.167 -2.808 -3.838 1.00 0.00 H new ATOM 0 HB THR A 51 -1.754 -2.295 -6.103 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.001 -3.204 -7.405 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.049 -0.932 -7.107 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.513 -0.281 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.024 -1.174 -5.638 1.00 0.00 H new ATOM 844 N PHE A 52 -0.859 -0.931 -2.646 1.00 0.00 N ATOM 845 CA PHE A 52 -1.433 0.174 -1.883 1.00 0.00 C ATOM 846 C PHE A 52 -1.136 1.505 -2.571 1.00 0.00 C ATOM 847 O PHE A 52 -0.152 1.630 -3.300 1.00 0.00 O ATOM 848 CB PHE A 52 -0.868 0.193 -0.461 1.00 0.00 C ATOM 849 CG PHE A 52 -1.466 -0.848 0.443 1.00 0.00 C ATOM 850 CD1 PHE A 52 -1.164 -2.187 0.275 1.00 0.00 C ATOM 851 CD2 PHE A 52 -2.327 -0.481 1.466 1.00 0.00 C ATOM 852 CE1 PHE A 52 -1.709 -3.146 1.110 1.00 0.00 C ATOM 853 CE2 PHE A 52 -2.875 -1.432 2.303 1.00 0.00 C ATOM 854 CZ PHE A 52 -2.567 -2.767 2.125 1.00 0.00 C ATOM 0 H PHE A 52 0.119 -1.125 -2.432 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.512 0.031 -1.834 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.211 0.045 -0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.036 1.178 -0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.495 -2.488 -0.517 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.572 0.561 1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.465 -4.188 0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.544 -1.133 3.096 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.996 -3.513 2.778 1.00 0.00 H new ATOM 864 N THR A 53 -1.988 2.499 -2.336 1.00 0.00 N ATOM 865 CA THR A 53 -1.806 3.817 -2.938 1.00 0.00 C ATOM 866 C THR A 53 -2.229 4.923 -1.975 1.00 0.00 C ATOM 867 O THR A 53 -3.372 4.964 -1.524 1.00 0.00 O ATOM 868 CB THR A 53 -2.604 3.920 -4.239 1.00 0.00 C ATOM 869 OG1 THR A 53 -2.182 2.933 -5.164 1.00 0.00 O ATOM 870 CG2 THR A 53 -2.476 5.267 -4.917 1.00 0.00 C ATOM 0 H THR A 53 -2.808 2.418 -1.735 1.00 0.00 H new ATOM 0 HA THR A 53 -0.746 3.944 -3.159 1.00 0.00 H new ATOM 0 HB THR A 53 -3.645 3.775 -3.951 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.705 3.013 -5.989 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.067 5.271 -5.833 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.839 6.047 -4.248 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.430 5.455 -5.159 1.00 0.00 H new ATOM 878 N VAL A 54 -1.297 5.821 -1.672 1.00 0.00 N ATOM 879 CA VAL A 54 -1.572 6.935 -0.769 1.00 0.00 C ATOM 880 C VAL A 54 -0.941 8.225 -1.289 1.00 0.00 C ATOM 881 O VAL A 54 0.232 8.248 -1.646 1.00 0.00 O ATOM 882 CB VAL A 54 -1.052 6.651 0.654 1.00 0.00 C ATOM 883 CG1 VAL A 54 0.443 6.380 0.630 1.00 0.00 C ATOM 884 CG2 VAL A 54 -1.382 7.805 1.591 1.00 0.00 C ATOM 0 H VAL A 54 -0.345 5.800 -2.038 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.655 7.053 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.553 5.760 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.793 6.182 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.646 5.514 -0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.964 7.250 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.005 7.582 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.915 8.718 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.463 7.942 1.633 1.00 0.00 H new ATOM 894 N THR A 55 -1.724 9.295 -1.333 1.00 0.00 N ATOM 895 CA THR A 55 -1.223 10.578 -1.819 1.00 0.00 C ATOM 896 C THR A 55 -1.597 11.707 -0.867 1.00 0.00 C ATOM 897 O THR A 55 -2.744 11.816 -0.452 1.00 0.00 O ATOM 898 CB THR A 55 -1.767 10.872 -3.225 1.00 0.00 C ATOM 899 OG1 THR A 55 -2.761 11.870 -3.187 1.00 0.00 O ATOM 900 CG2 THR A 55 -2.368 9.662 -3.911 1.00 0.00 C ATOM 0 H THR A 55 -2.701 9.303 -1.041 1.00 0.00 H new ATOM 0 HA THR A 55 -0.136 10.516 -1.868 1.00 0.00 H new ATOM 0 HB THR A 55 -0.897 11.200 -3.794 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.089 12.039 -4.095 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.731 9.947 -4.899 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.608 8.887 -4.013 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.198 9.281 -3.316 1.00 0.00 H new ATOM 908 N GLU A 56 -0.621 12.540 -0.529 1.00 0.00 N ATOM 909 CA GLU A 56 -0.845 13.659 0.367 1.00 0.00 C ATOM 910 C GLU A 56 -0.974 14.970 -0.410 1.00 0.00 C ATOM 911 O GLU A 56 0.045 15.406 -0.988 1.00 0.00 O ATOM 912 CB GLU A 56 0.281 13.772 1.392 1.00 0.00 C ATOM 913 CG GLU A 56 0.057 14.839 2.444 1.00 0.00 C ATOM 914 CD GLU A 56 0.560 16.203 2.010 1.00 0.00 C ATOM 915 OE1 GLU A 56 1.786 16.437 2.111 1.00 0.00 O ATOM 916 OE2 GLU A 56 -0.265 17.030 1.568 1.00 0.00 O ATOM 917 OXT GLU A 56 -2.087 15.541 -0.437 1.00 0.00 O ATOM 0 H GLU A 56 0.338 12.458 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.781 13.474 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.404 12.809 1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.214 13.983 0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.007 14.904 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.561 14.547 3.365 1.00 0.00 H new TER 924 GLU A 56