USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 486 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 9 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.5!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -69:sc= 0.623 USER MOD Single : A 23 HIS : no HD1:sc= -1.76! K(o=-1.8!,f=-1.1) USER MOD Single : A 28 SER OG : rot -168:sc= -0.309! USER MOD Single : A 30 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.917) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 147:sc= -7.82! (180deg=-11.9!) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.245) USER MOD Single : A 41 HIS : no HE2:sc= -3.1 X(o=-3.1,f=-3!) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= -0.253 (180deg=-0.372) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -62:sc= 0.0348 USER MOD Single : A 52 THR OG1 : rot 15:sc= 0.651! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -99:sc= 0.563 USER MOD Single : A 61 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.078) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0479 X(o=-0.048,f=-0.36) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.495 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 9 10.378 -16.293 -14.454 1.00 0.00 N ATOM 2 CA GLN A 9 11.285 -15.370 -13.715 1.00 0.00 C ATOM 3 C GLN A 9 12.210 -14.662 -14.707 1.00 0.00 C ATOM 4 O GLN A 9 11.967 -14.652 -15.898 1.00 0.00 O ATOM 5 CB GLN A 9 12.124 -16.169 -12.716 1.00 0.00 C ATOM 6 CG GLN A 9 13.022 -17.149 -13.474 1.00 0.00 C ATOM 7 CD GLN A 9 14.462 -17.012 -12.975 1.00 0.00 C ATOM 8 OE1 GLN A 9 14.812 -16.027 -12.355 1.00 0.00 O ATOM 9 NE2 GLN A 9 15.318 -17.966 -13.220 1.00 0.00 N ATOM 0 HA GLN A 9 10.691 -14.629 -13.179 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.731 -15.494 -12.113 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.473 -16.711 -12.030 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.670 -18.170 -13.326 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.976 -16.948 -14.544 1.00 0.00 H new ATOM 0 HE21 GLN A 9 15.025 -18.793 -13.740 1.00 0.00 H new ATOM 0 HE22 GLN A 9 16.280 -17.885 -12.891 1.00 0.00 H new ATOM 18 N GLY A 10 13.268 -14.070 -14.225 1.00 0.00 N ATOM 19 CA GLY A 10 14.207 -13.365 -15.141 1.00 0.00 C ATOM 20 C GLY A 10 15.344 -14.311 -15.531 1.00 0.00 C ATOM 21 O GLY A 10 15.711 -15.197 -14.785 1.00 0.00 O ATOM 0 H GLY A 10 13.522 -14.044 -13.238 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.678 -13.028 -16.032 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.609 -12.477 -14.654 1.00 0.00 H new ATOM 25 N ASP A 11 15.907 -14.130 -16.695 1.00 0.00 N ATOM 26 CA ASP A 11 17.020 -15.018 -17.129 1.00 0.00 C ATOM 27 C ASP A 11 18.336 -14.237 -17.104 1.00 0.00 C ATOM 28 O ASP A 11 18.350 -13.026 -17.202 1.00 0.00 O ATOM 29 CB ASP A 11 16.750 -15.516 -18.550 1.00 0.00 C ATOM 30 CG ASP A 11 15.947 -16.817 -18.492 1.00 0.00 C ATOM 31 OD1 ASP A 11 14.964 -16.852 -17.770 1.00 0.00 O ATOM 32 OD2 ASP A 11 16.329 -17.757 -19.170 1.00 0.00 O ATOM 0 H ASP A 11 15.644 -13.406 -17.363 1.00 0.00 H new ATOM 0 HA ASP A 11 17.090 -15.870 -16.452 1.00 0.00 H new ATOM 0 HB2 ASP A 11 16.200 -14.762 -19.113 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.692 -15.681 -19.074 1.00 0.00 H new ATOM 37 N ILE A 12 19.439 -14.920 -16.975 1.00 0.00 N ATOM 38 CA ILE A 12 20.752 -14.213 -16.946 1.00 0.00 C ATOM 39 C ILE A 12 21.495 -14.472 -18.256 1.00 0.00 C ATOM 40 O ILE A 12 21.584 -15.592 -18.719 1.00 0.00 O ATOM 41 CB ILE A 12 21.586 -14.733 -15.774 1.00 0.00 C ATOM 42 CG1 ILE A 12 20.895 -14.376 -14.456 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.973 -14.089 -15.812 1.00 0.00 C ATOM 44 CD1 ILE A 12 20.610 -12.873 -14.420 1.00 0.00 C ATOM 0 H ILE A 12 19.489 -15.935 -16.888 1.00 0.00 H new ATOM 0 HA ILE A 12 20.587 -13.142 -16.826 1.00 0.00 H new ATOM 0 HB ILE A 12 21.684 -15.816 -15.850 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.965 -14.936 -14.357 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.527 -14.657 -13.614 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.569 -14.459 -14.977 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.466 -14.343 -16.750 1.00 0.00 H new ATOM 0 HG23 ILE A 12 22.874 -13.006 -15.736 1.00 0.00 H new ATOM 0 HD11 ILE A 12 20.118 -12.618 -13.481 1.00 0.00 H new ATOM 0 HD12 ILE A 12 21.548 -12.323 -14.499 1.00 0.00 H new ATOM 0 HD13 ILE A 12 19.961 -12.606 -15.254 1.00 0.00 H new ATOM 56 N VAL A 13 22.025 -13.447 -18.864 1.00 0.00 N ATOM 57 CA VAL A 13 22.753 -13.635 -20.146 1.00 0.00 C ATOM 58 C VAL A 13 24.108 -12.939 -20.062 1.00 0.00 C ATOM 59 O VAL A 13 24.289 -12.008 -19.303 1.00 0.00 O ATOM 60 CB VAL A 13 21.941 -13.016 -21.284 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.858 -13.999 -21.732 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.285 -11.721 -20.798 1.00 0.00 C ATOM 0 H VAL A 13 21.984 -12.486 -18.526 1.00 0.00 H new ATOM 0 HA VAL A 13 22.896 -14.699 -20.333 1.00 0.00 H new ATOM 0 HB VAL A 13 22.601 -12.796 -22.123 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.279 -13.558 -22.543 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.324 -14.921 -22.079 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.198 -14.220 -20.893 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.706 -11.280 -21.609 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.625 -11.940 -19.959 1.00 0.00 H new ATOM 0 HG23 VAL A 13 22.056 -11.020 -20.479 1.00 0.00 H new ATOM 72 N VAL A 14 25.060 -13.368 -20.839 1.00 0.00 N ATOM 73 CA VAL A 14 26.390 -12.702 -20.794 1.00 0.00 C ATOM 74 C VAL A 14 26.631 -11.994 -22.127 1.00 0.00 C ATOM 75 O VAL A 14 26.389 -12.539 -23.186 1.00 0.00 O ATOM 76 CB VAL A 14 27.487 -13.737 -20.540 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.508 -14.752 -21.684 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.843 -13.032 -20.458 1.00 0.00 C ATOM 0 H VAL A 14 24.978 -14.143 -21.497 1.00 0.00 H new ATOM 0 HA VAL A 14 26.411 -11.974 -19.983 1.00 0.00 H new ATOM 0 HB VAL A 14 27.288 -14.254 -19.601 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.290 -15.489 -21.502 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.542 -15.254 -21.743 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.706 -14.237 -22.624 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.626 -13.769 -20.277 1.00 0.00 H new ATOM 0 HG22 VAL A 14 29.042 -12.515 -21.397 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.829 -12.310 -19.642 1.00 0.00 H new ATOM 88 N ALA A 15 27.097 -10.778 -22.080 1.00 0.00 N ATOM 89 CA ALA A 15 27.344 -10.022 -23.336 1.00 0.00 C ATOM 90 C ALA A 15 28.308 -10.796 -24.235 1.00 0.00 C ATOM 91 O ALA A 15 29.454 -11.017 -23.893 1.00 0.00 O ATOM 92 CB ALA A 15 27.954 -8.660 -22.998 1.00 0.00 C ATOM 0 H ALA A 15 27.318 -10.274 -21.221 1.00 0.00 H new ATOM 0 HA ALA A 15 26.398 -9.885 -23.860 1.00 0.00 H new ATOM 0 HB1 ALA A 15 28.136 -8.104 -23.918 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.265 -8.100 -22.366 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.896 -8.804 -22.469 1.00 0.00 H new ATOM 98 N LEU A 16 27.860 -11.185 -25.395 1.00 0.00 N ATOM 99 CA LEU A 16 28.756 -11.915 -26.333 1.00 0.00 C ATOM 100 C LEU A 16 29.452 -10.880 -27.211 1.00 0.00 C ATOM 101 O LEU A 16 30.552 -11.081 -27.690 1.00 0.00 O ATOM 102 CB LEU A 16 27.932 -12.859 -27.213 1.00 0.00 C ATOM 103 CG LEU A 16 27.360 -13.991 -26.358 1.00 0.00 C ATOM 104 CD1 LEU A 16 26.262 -14.712 -27.141 1.00 0.00 C ATOM 105 CD2 LEU A 16 28.474 -14.981 -26.010 1.00 0.00 C ATOM 0 H LEU A 16 26.911 -11.029 -25.734 1.00 0.00 H new ATOM 0 HA LEU A 16 29.486 -12.505 -25.778 1.00 0.00 H new ATOM 0 HB2 LEU A 16 27.123 -12.310 -27.695 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.556 -13.269 -28.007 1.00 0.00 H new ATOM 0 HG LEU A 16 26.942 -13.579 -25.439 1.00 0.00 H new ATOM 0 HD11 LEU A 16 25.853 -15.519 -26.534 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.469 -14.007 -27.389 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.681 -15.125 -28.059 1.00 0.00 H new ATOM 0 HD21 LEU A 16 28.067 -15.788 -25.401 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.893 -15.395 -26.927 1.00 0.00 H new ATOM 0 HD23 LEU A 16 29.257 -14.466 -25.454 1.00 0.00 H new ATOM 117 N TYR A 17 28.805 -9.767 -27.420 1.00 0.00 N ATOM 118 CA TYR A 17 29.390 -8.691 -28.260 1.00 0.00 C ATOM 119 C TYR A 17 29.131 -7.339 -27.590 1.00 0.00 C ATOM 120 O TYR A 17 28.081 -7.117 -27.020 1.00 0.00 O ATOM 121 CB TYR A 17 28.714 -8.705 -29.632 1.00 0.00 C ATOM 122 CG TYR A 17 29.323 -9.793 -30.483 1.00 0.00 C ATOM 123 CD1 TYR A 17 30.714 -9.893 -30.602 1.00 0.00 C ATOM 124 CD2 TYR A 17 28.496 -10.701 -31.154 1.00 0.00 C ATOM 125 CE1 TYR A 17 31.278 -10.902 -31.392 1.00 0.00 C ATOM 126 CE2 TYR A 17 29.060 -11.711 -31.943 1.00 0.00 C ATOM 127 CZ TYR A 17 30.451 -11.811 -32.063 1.00 0.00 C ATOM 128 OH TYR A 17 31.007 -12.806 -32.841 1.00 0.00 O ATOM 0 H TYR A 17 27.883 -9.557 -27.038 1.00 0.00 H new ATOM 0 HA TYR A 17 30.462 -8.850 -28.373 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.643 -8.873 -29.520 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.835 -7.737 -30.119 1.00 0.00 H new ATOM 0 HD1 TYR A 17 31.352 -9.192 -30.085 1.00 0.00 H new ATOM 0 HD2 TYR A 17 27.423 -10.623 -31.063 1.00 0.00 H new ATOM 0 HE1 TYR A 17 32.351 -10.979 -31.484 1.00 0.00 H new ATOM 0 HE2 TYR A 17 28.422 -12.413 -32.459 1.00 0.00 H new ATOM 0 HH TYR A 17 30.294 -13.350 -33.235 1.00 0.00 H new ATOM 138 N PRO A 18 30.094 -6.414 -27.673 1.00 0.00 N ATOM 139 CA PRO A 18 29.956 -5.072 -27.089 1.00 0.00 C ATOM 140 C PRO A 18 28.794 -4.301 -27.726 1.00 0.00 C ATOM 141 O PRO A 18 28.558 -4.384 -28.914 1.00 0.00 O ATOM 142 CB PRO A 18 31.298 -4.408 -27.415 1.00 0.00 C ATOM 143 CG PRO A 18 31.797 -5.165 -28.598 1.00 0.00 C ATOM 144 CD PRO A 18 31.389 -6.587 -28.342 1.00 0.00 C ATOM 0 HA PRO A 18 29.736 -5.096 -26.022 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.175 -3.349 -27.642 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.991 -4.476 -26.576 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.359 -4.788 -29.522 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.879 -5.075 -28.698 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.299 -7.159 -29.266 1.00 0.00 H new ATOM 0 HD3 PRO A 18 32.108 -7.111 -27.712 1.00 0.00 H new ATOM 152 N TYR A 19 28.059 -3.565 -26.937 1.00 0.00 N ATOM 153 CA TYR A 19 26.900 -2.804 -27.487 1.00 0.00 C ATOM 154 C TYR A 19 26.916 -1.372 -26.952 1.00 0.00 C ATOM 155 O TYR A 19 26.938 -1.151 -25.758 1.00 0.00 O ATOM 156 CB TYR A 19 25.603 -3.479 -27.038 1.00 0.00 C ATOM 157 CG TYR A 19 24.441 -2.925 -27.831 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.769 -1.778 -27.388 1.00 0.00 C ATOM 159 CD2 TYR A 19 24.033 -3.562 -29.010 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.691 -1.266 -28.125 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.958 -3.051 -29.746 1.00 0.00 C ATOM 162 CZ TYR A 19 22.286 -1.905 -29.304 1.00 0.00 C ATOM 163 OH TYR A 19 21.227 -1.403 -30.033 1.00 0.00 O ATOM 0 H TYR A 19 28.211 -3.458 -25.934 1.00 0.00 H new ATOM 0 HA TYR A 19 26.965 -2.788 -28.575 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.674 -4.557 -27.182 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.443 -3.310 -25.973 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.081 -1.288 -26.478 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.548 -4.448 -29.351 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.174 -0.381 -27.784 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.646 -3.541 -30.656 1.00 0.00 H new ATOM 0 HH TYR A 19 20.396 -1.525 -29.529 1.00 0.00 H new ATOM 173 N ASP A 20 26.880 -0.394 -27.815 1.00 0.00 N ATOM 174 CA ASP A 20 26.868 1.010 -27.324 1.00 0.00 C ATOM 175 C ASP A 20 25.442 1.548 -27.437 1.00 0.00 C ATOM 176 O ASP A 20 24.944 1.800 -28.515 1.00 0.00 O ATOM 177 CB ASP A 20 27.826 1.870 -28.151 1.00 0.00 C ATOM 178 CG ASP A 20 29.261 1.379 -27.943 1.00 0.00 C ATOM 179 OD1 ASP A 20 29.633 1.166 -26.801 1.00 0.00 O ATOM 180 OD2 ASP A 20 29.961 1.224 -28.929 1.00 0.00 O ATOM 0 H ASP A 20 26.859 -0.505 -28.829 1.00 0.00 H new ATOM 0 HA ASP A 20 27.197 1.043 -26.285 1.00 0.00 H new ATOM 0 HB2 ASP A 20 27.561 1.816 -29.207 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.741 2.915 -27.855 1.00 0.00 H new ATOM 185 N GLY A 21 24.781 1.698 -26.319 1.00 0.00 N ATOM 186 CA GLY A 21 23.374 2.192 -26.317 1.00 0.00 C ATOM 187 C GLY A 21 23.121 3.128 -27.497 1.00 0.00 C ATOM 188 O GLY A 21 23.283 4.329 -27.397 1.00 0.00 O ATOM 0 H GLY A 21 25.163 1.496 -25.395 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.688 1.346 -26.365 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.170 2.715 -25.383 1.00 0.00 H new ATOM 192 N ILE A 22 22.695 2.591 -28.603 1.00 0.00 N ATOM 193 CA ILE A 22 22.397 3.451 -29.778 1.00 0.00 C ATOM 194 C ILE A 22 21.034 4.096 -29.553 1.00 0.00 C ATOM 195 O ILE A 22 20.900 5.302 -29.506 1.00 0.00 O ATOM 196 CB ILE A 22 22.357 2.594 -31.046 1.00 0.00 C ATOM 197 CG1 ILE A 22 23.774 2.146 -31.407 1.00 0.00 C ATOM 198 CG2 ILE A 22 21.772 3.414 -32.196 1.00 0.00 C ATOM 199 CD1 ILE A 22 23.756 1.446 -32.768 1.00 0.00 C ATOM 0 H ILE A 22 22.540 1.593 -28.744 1.00 0.00 H new ATOM 0 HA ILE A 22 23.166 4.215 -29.895 1.00 0.00 H new ATOM 0 HB ILE A 22 21.734 1.717 -30.871 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.442 3.006 -31.437 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.159 1.470 -30.643 1.00 0.00 H new ATOM 0 HG21 ILE A 22 21.743 2.805 -33.099 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.761 3.731 -31.939 1.00 0.00 H new ATOM 0 HG23 ILE A 22 22.394 4.292 -32.370 1.00 0.00 H new ATOM 0 HD11 ILE A 22 24.766 1.126 -33.026 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.101 0.576 -32.721 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.389 2.136 -33.527 1.00 0.00 H new ATOM 211 N HIS A 23 20.022 3.291 -29.407 1.00 0.00 N ATOM 212 CA HIS A 23 18.657 3.835 -29.177 1.00 0.00 C ATOM 213 C HIS A 23 18.616 4.534 -27.817 1.00 0.00 C ATOM 214 O HIS A 23 19.562 4.486 -27.056 1.00 0.00 O ATOM 215 CB HIS A 23 17.642 2.690 -29.196 1.00 0.00 C ATOM 216 CG HIS A 23 16.892 2.707 -30.499 1.00 0.00 C ATOM 217 ND1 HIS A 23 17.467 2.290 -31.688 1.00 0.00 N ATOM 218 CD2 HIS A 23 15.610 3.088 -30.814 1.00 0.00 C ATOM 219 CE1 HIS A 23 16.542 2.428 -32.656 1.00 0.00 C ATOM 220 NE2 HIS A 23 15.392 2.909 -32.178 1.00 0.00 N ATOM 0 H HIS A 23 20.082 2.273 -29.437 1.00 0.00 H new ATOM 0 HA HIS A 23 18.409 4.549 -29.962 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.152 1.735 -29.070 1.00 0.00 H new ATOM 0 HB3 HIS A 23 16.947 2.792 -28.363 1.00 0.00 H new ATOM 0 HD2 HIS A 23 14.883 3.468 -30.112 1.00 0.00 H new ATOM 0 HE1 HIS A 23 16.710 2.180 -33.694 1.00 0.00 H new ATOM 0 HE2 HIS A 23 14.537 3.104 -32.700 1.00 0.00 H new ATOM 228 N PRO A 24 17.495 5.201 -27.511 1.00 0.00 N ATOM 229 CA PRO A 24 17.321 5.921 -26.244 1.00 0.00 C ATOM 230 C PRO A 24 17.174 4.972 -25.050 1.00 0.00 C ATOM 231 O PRO A 24 17.464 5.325 -23.925 1.00 0.00 O ATOM 232 CB PRO A 24 16.018 6.693 -26.449 1.00 0.00 C ATOM 233 CG PRO A 24 15.273 5.911 -27.476 1.00 0.00 C ATOM 234 CD PRO A 24 16.309 5.307 -28.381 1.00 0.00 C ATOM 0 HA PRO A 24 18.183 6.549 -26.017 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.452 6.768 -25.521 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.210 7.711 -26.788 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.665 5.136 -27.009 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.594 6.553 -28.037 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.997 4.333 -28.757 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.502 5.937 -29.250 1.00 0.00 H new ATOM 242 N ASP A 25 16.704 3.777 -25.284 1.00 0.00 N ATOM 243 CA ASP A 25 16.515 2.817 -24.157 1.00 0.00 C ATOM 244 C ASP A 25 17.477 1.632 -24.286 1.00 0.00 C ATOM 245 O ASP A 25 17.592 0.821 -23.389 1.00 0.00 O ATOM 246 CB ASP A 25 15.077 2.297 -24.185 1.00 0.00 C ATOM 247 CG ASP A 25 14.472 2.394 -22.783 1.00 0.00 C ATOM 248 OD1 ASP A 25 15.224 2.622 -21.849 1.00 0.00 O ATOM 249 OD2 ASP A 25 13.268 2.238 -22.666 1.00 0.00 O ATOM 0 H ASP A 25 16.443 3.424 -26.205 1.00 0.00 H new ATOM 0 HA ASP A 25 16.718 3.332 -23.218 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.483 2.878 -24.890 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.060 1.263 -24.529 1.00 0.00 H new ATOM 254 N ASP A 26 18.161 1.508 -25.391 1.00 0.00 N ATOM 255 CA ASP A 26 19.092 0.360 -25.557 1.00 0.00 C ATOM 256 C ASP A 26 20.173 0.406 -24.475 1.00 0.00 C ATOM 257 O ASP A 26 20.969 1.322 -24.426 1.00 0.00 O ATOM 258 CB ASP A 26 19.754 0.441 -26.932 1.00 0.00 C ATOM 259 CG ASP A 26 18.897 -0.313 -27.950 1.00 0.00 C ATOM 260 OD1 ASP A 26 17.722 -0.002 -28.052 1.00 0.00 O ATOM 261 OD2 ASP A 26 19.429 -1.191 -28.608 1.00 0.00 O ATOM 0 H ASP A 26 18.115 2.150 -26.182 1.00 0.00 H new ATOM 0 HA ASP A 26 18.532 -0.571 -25.469 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.866 1.482 -27.234 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.755 0.011 -26.892 1.00 0.00 H new ATOM 266 N LEU A 27 20.223 -0.575 -23.614 1.00 0.00 N ATOM 267 CA LEU A 27 21.271 -0.572 -22.556 1.00 0.00 C ATOM 268 C LEU A 27 22.594 -1.015 -23.185 1.00 0.00 C ATOM 269 O LEU A 27 22.641 -1.950 -23.959 1.00 0.00 O ATOM 270 CB LEU A 27 20.852 -1.526 -21.426 1.00 0.00 C ATOM 271 CG LEU A 27 22.072 -1.984 -20.619 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.826 -3.067 -21.393 1.00 0.00 C ATOM 273 CD2 LEU A 27 22.996 -0.792 -20.358 1.00 0.00 C ATOM 0 H LEU A 27 19.588 -1.373 -23.598 1.00 0.00 H new ATOM 0 HA LEU A 27 21.393 0.425 -22.134 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.141 -1.027 -20.767 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.342 -2.393 -21.846 1.00 0.00 H new ATOM 0 HG LEU A 27 21.739 -2.393 -19.665 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.693 -3.390 -20.816 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.166 -3.918 -21.564 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.157 -2.666 -22.351 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.862 -1.122 -19.784 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.328 -0.374 -21.308 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.457 -0.030 -19.795 1.00 0.00 H new ATOM 285 N SER A 28 23.667 -0.339 -22.877 1.00 0.00 N ATOM 286 CA SER A 28 24.983 -0.704 -23.474 1.00 0.00 C ATOM 287 C SER A 28 25.658 -1.808 -22.657 1.00 0.00 C ATOM 288 O SER A 28 25.689 -1.770 -21.443 1.00 0.00 O ATOM 289 CB SER A 28 25.887 0.530 -23.484 1.00 0.00 C ATOM 290 OG SER A 28 25.137 1.662 -23.902 1.00 0.00 O ATOM 0 H SER A 28 23.689 0.453 -22.235 1.00 0.00 H new ATOM 0 HA SER A 28 24.820 -1.065 -24.489 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.299 0.700 -22.489 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.731 0.371 -24.156 1.00 0.00 H new ATOM 0 HG SER A 28 25.746 2.406 -24.092 1.00 0.00 H new ATOM 296 N PHE A 29 26.228 -2.776 -23.319 1.00 0.00 N ATOM 297 CA PHE A 29 26.933 -3.864 -22.592 1.00 0.00 C ATOM 298 C PHE A 29 28.219 -4.203 -23.344 1.00 0.00 C ATOM 299 O PHE A 29 28.287 -4.091 -24.552 1.00 0.00 O ATOM 300 CB PHE A 29 26.043 -5.109 -22.486 1.00 0.00 C ATOM 301 CG PHE A 29 25.389 -5.417 -23.813 1.00 0.00 C ATOM 302 CD1 PHE A 29 26.047 -6.228 -24.747 1.00 0.00 C ATOM 303 CD2 PHE A 29 24.115 -4.912 -24.101 1.00 0.00 C ATOM 304 CE1 PHE A 29 25.432 -6.532 -25.968 1.00 0.00 C ATOM 305 CE2 PHE A 29 23.499 -5.219 -25.320 1.00 0.00 C ATOM 306 CZ PHE A 29 24.157 -6.028 -26.254 1.00 0.00 C ATOM 0 H PHE A 29 26.235 -2.859 -24.336 1.00 0.00 H new ATOM 0 HA PHE A 29 27.169 -3.530 -21.582 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.640 -5.962 -22.163 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.277 -4.950 -21.726 1.00 0.00 H new ATOM 0 HD1 PHE A 29 27.029 -6.619 -24.525 1.00 0.00 H new ATOM 0 HD2 PHE A 29 23.608 -4.285 -23.382 1.00 0.00 H new ATOM 0 HE1 PHE A 29 25.941 -7.155 -26.689 1.00 0.00 H new ATOM 0 HE2 PHE A 29 22.515 -4.831 -25.540 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.682 -6.263 -27.195 1.00 0.00 H new ATOM 316 N LYS A 30 29.245 -4.605 -22.646 1.00 0.00 N ATOM 317 CA LYS A 30 30.525 -4.932 -23.336 1.00 0.00 C ATOM 318 C LYS A 30 30.732 -6.442 -23.334 1.00 0.00 C ATOM 319 O LYS A 30 30.445 -7.111 -22.361 1.00 0.00 O ATOM 320 CB LYS A 30 31.683 -4.259 -22.597 1.00 0.00 C ATOM 321 CG LYS A 30 32.332 -3.216 -23.509 1.00 0.00 C ATOM 322 CD LYS A 30 33.808 -3.563 -23.712 1.00 0.00 C ATOM 323 CE LYS A 30 33.925 -4.974 -24.292 1.00 0.00 C ATOM 324 NZ LYS A 30 35.158 -5.625 -23.768 1.00 0.00 N ATOM 0 H LYS A 30 29.253 -4.721 -21.633 1.00 0.00 H new ATOM 0 HA LYS A 30 30.488 -4.572 -24.364 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.320 -3.785 -21.685 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.420 -5.004 -22.297 1.00 0.00 H new ATOM 0 HG2 LYS A 30 31.819 -3.188 -24.470 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.238 -2.223 -23.068 1.00 0.00 H new ATOM 0 HD2 LYS A 30 34.273 -2.842 -24.385 1.00 0.00 H new ATOM 0 HD3 LYS A 30 34.341 -3.503 -22.763 1.00 0.00 H new ATOM 0 HE2 LYS A 30 33.048 -5.563 -24.024 1.00 0.00 H new ATOM 0 HE3 LYS A 30 33.959 -4.930 -25.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 35.540 -6.274 -24.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 35.867 -4.897 -23.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 34.929 -6.159 -22.905 1.00 0.00 H new ATOM 338 N LYS A 31 31.237 -6.991 -24.406 1.00 0.00 N ATOM 339 CA LYS A 31 31.463 -8.460 -24.435 1.00 0.00 C ATOM 340 C LYS A 31 32.070 -8.882 -23.098 1.00 0.00 C ATOM 341 O LYS A 31 32.748 -8.115 -22.445 1.00 0.00 O ATOM 342 CB LYS A 31 32.417 -8.829 -25.568 1.00 0.00 C ATOM 343 CG LYS A 31 33.705 -8.012 -25.441 1.00 0.00 C ATOM 344 CD LYS A 31 34.754 -8.558 -26.412 1.00 0.00 C ATOM 345 CE LYS A 31 35.886 -9.217 -25.621 1.00 0.00 C ATOM 346 NZ LYS A 31 37.166 -8.510 -25.904 1.00 0.00 N ATOM 0 H LYS A 31 31.500 -6.489 -25.254 1.00 0.00 H new ATOM 0 HA LYS A 31 30.515 -8.972 -24.601 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.645 -9.894 -25.533 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.945 -8.636 -26.532 1.00 0.00 H new ATOM 0 HG2 LYS A 31 33.505 -6.963 -25.657 1.00 0.00 H new ATOM 0 HG3 LYS A 31 34.080 -8.061 -24.419 1.00 0.00 H new ATOM 0 HD2 LYS A 31 34.298 -9.282 -27.087 1.00 0.00 H new ATOM 0 HD3 LYS A 31 35.149 -7.751 -27.029 1.00 0.00 H new ATOM 0 HE2 LYS A 31 35.667 -9.182 -24.554 1.00 0.00 H new ATOM 0 HE3 LYS A 31 35.971 -10.269 -25.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 37.936 -8.957 -25.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 37.376 -8.566 -26.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 37.081 -7.513 -25.622 1.00 0.00 H new ATOM 360 N GLY A 32 31.828 -10.091 -22.681 1.00 0.00 N ATOM 361 CA GLY A 32 32.388 -10.554 -21.378 1.00 0.00 C ATOM 362 C GLY A 32 31.547 -9.994 -20.220 1.00 0.00 C ATOM 363 O GLY A 32 31.626 -10.467 -19.104 1.00 0.00 O ATOM 0 H GLY A 32 31.268 -10.780 -23.183 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.394 -11.643 -21.341 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.423 -10.226 -21.280 1.00 0.00 H new ATOM 367 N GLU A 33 30.745 -8.993 -20.475 1.00 0.00 N ATOM 368 CA GLU A 33 29.905 -8.408 -19.386 1.00 0.00 C ATOM 369 C GLU A 33 28.635 -9.247 -19.205 1.00 0.00 C ATOM 370 O GLU A 33 28.161 -9.882 -20.124 1.00 0.00 O ATOM 371 CB GLU A 33 29.524 -6.970 -19.743 1.00 0.00 C ATOM 372 CG GLU A 33 29.294 -6.170 -18.459 1.00 0.00 C ATOM 373 CD GLU A 33 27.881 -6.439 -17.937 1.00 0.00 C ATOM 374 OE1 GLU A 33 26.968 -6.468 -18.745 1.00 0.00 O ATOM 375 OE2 GLU A 33 27.737 -6.612 -16.738 1.00 0.00 O ATOM 0 H GLU A 33 30.635 -8.555 -21.390 1.00 0.00 H new ATOM 0 HA GLU A 33 30.473 -8.409 -18.456 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.315 -6.509 -20.335 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.622 -6.963 -20.355 1.00 0.00 H new ATOM 0 HG2 GLU A 33 30.031 -6.450 -17.706 1.00 0.00 H new ATOM 0 HG3 GLU A 33 29.425 -5.105 -18.653 1.00 0.00 H new ATOM 382 N LYS A 34 28.092 -9.257 -18.015 1.00 0.00 N ATOM 383 CA LYS A 34 26.860 -10.058 -17.751 1.00 0.00 C ATOM 384 C LYS A 34 25.649 -9.129 -17.643 1.00 0.00 C ATOM 385 O LYS A 34 25.743 -8.013 -17.172 1.00 0.00 O ATOM 386 CB LYS A 34 27.027 -10.830 -16.441 1.00 0.00 C ATOM 387 CG LYS A 34 28.136 -11.872 -16.602 1.00 0.00 C ATOM 388 CD LYS A 34 28.285 -12.662 -15.299 1.00 0.00 C ATOM 389 CE LYS A 34 27.403 -13.911 -15.357 1.00 0.00 C ATOM 390 NZ LYS A 34 27.689 -14.776 -14.177 1.00 0.00 N ATOM 0 H LYS A 34 28.451 -8.742 -17.211 1.00 0.00 H new ATOM 0 HA LYS A 34 26.704 -10.757 -18.572 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.273 -10.144 -15.631 1.00 0.00 H new ATOM 0 HB3 LYS A 34 26.090 -11.318 -16.172 1.00 0.00 H new ATOM 0 HG2 LYS A 34 27.899 -12.547 -17.424 1.00 0.00 H new ATOM 0 HG3 LYS A 34 29.077 -11.382 -16.853 1.00 0.00 H new ATOM 0 HD2 LYS A 34 29.327 -12.946 -15.150 1.00 0.00 H new ATOM 0 HD3 LYS A 34 27.999 -12.041 -14.450 1.00 0.00 H new ATOM 0 HE2 LYS A 34 26.351 -13.626 -15.366 1.00 0.00 H new ATOM 0 HE3 LYS A 34 27.593 -14.461 -16.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 27.090 -15.625 -14.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 28.690 -15.058 -14.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 27.487 -14.249 -13.303 1.00 0.00 H new ATOM 404 N MET A 35 24.516 -9.591 -18.087 1.00 0.00 N ATOM 405 CA MET A 35 23.281 -8.763 -18.035 1.00 0.00 C ATOM 406 C MET A 35 22.093 -9.646 -17.661 1.00 0.00 C ATOM 407 O MET A 35 22.098 -10.841 -17.880 1.00 0.00 O ATOM 408 CB MET A 35 23.034 -8.148 -19.411 1.00 0.00 C ATOM 409 CG MET A 35 24.018 -6.996 -19.628 1.00 0.00 C ATOM 410 SD MET A 35 25.257 -7.483 -20.853 1.00 0.00 S ATOM 411 CE MET A 35 24.113 -8.158 -22.082 1.00 0.00 C ATOM 0 H MET A 35 24.391 -10.520 -18.489 1.00 0.00 H new ATOM 0 HA MET A 35 23.399 -7.975 -17.291 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.160 -8.902 -20.188 1.00 0.00 H new ATOM 0 HB3 MET A 35 22.009 -7.785 -19.482 1.00 0.00 H new ATOM 0 HG2 MET A 35 23.485 -6.108 -19.967 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.504 -6.736 -18.687 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.509 -7.982 -23.082 1.00 0.00 H new ATOM 0 HE2 MET A 35 23.997 -9.230 -21.921 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.144 -7.669 -21.984 1.00 0.00 H new ATOM 421 N LYS A 36 21.072 -9.060 -17.103 1.00 0.00 N ATOM 422 CA LYS A 36 19.873 -9.853 -16.717 1.00 0.00 C ATOM 423 C LYS A 36 18.648 -9.271 -17.420 1.00 0.00 C ATOM 424 O LYS A 36 18.496 -8.071 -17.522 1.00 0.00 O ATOM 425 CB LYS A 36 19.679 -9.779 -15.202 1.00 0.00 C ATOM 426 CG LYS A 36 18.340 -10.417 -14.826 1.00 0.00 C ATOM 427 CD LYS A 36 18.115 -10.279 -13.319 1.00 0.00 C ATOM 428 CE LYS A 36 17.887 -11.664 -12.709 1.00 0.00 C ATOM 429 NZ LYS A 36 16.435 -11.849 -12.429 1.00 0.00 N ATOM 0 H LYS A 36 21.016 -8.063 -16.897 1.00 0.00 H new ATOM 0 HA LYS A 36 20.006 -10.894 -17.010 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.495 -10.295 -14.695 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.704 -8.740 -14.872 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.529 -9.934 -15.371 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.334 -11.469 -15.111 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.978 -9.802 -12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.254 -9.639 -13.126 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.238 -12.437 -13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.462 -11.767 -11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.231 -12.862 -12.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.182 -11.339 -11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.878 -11.476 -13.224 1.00 0.00 H new ATOM 443 N VAL A 37 17.772 -10.108 -17.902 1.00 0.00 N ATOM 444 CA VAL A 37 16.557 -9.592 -18.595 1.00 0.00 C ATOM 445 C VAL A 37 15.348 -9.738 -17.667 1.00 0.00 C ATOM 446 O VAL A 37 15.000 -10.825 -17.250 1.00 0.00 O ATOM 447 CB VAL A 37 16.327 -10.384 -19.888 1.00 0.00 C ATOM 448 CG1 VAL A 37 16.687 -11.853 -19.662 1.00 0.00 C ATOM 449 CG2 VAL A 37 14.858 -10.277 -20.306 1.00 0.00 C ATOM 0 H VAL A 37 17.844 -11.124 -17.847 1.00 0.00 H new ATOM 0 HA VAL A 37 16.694 -8.540 -18.845 1.00 0.00 H new ATOM 0 HB VAL A 37 16.958 -9.973 -20.676 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.523 -12.414 -20.582 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.735 -11.930 -19.372 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.060 -12.264 -18.870 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.699 -10.841 -21.225 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.225 -10.683 -19.517 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.603 -9.231 -20.474 1.00 0.00 H new ATOM 459 N LEU A 38 14.713 -8.648 -17.333 1.00 0.00 N ATOM 460 CA LEU A 38 13.537 -8.719 -16.421 1.00 0.00 C ATOM 461 C LEU A 38 12.248 -8.861 -17.235 1.00 0.00 C ATOM 462 O LEU A 38 11.268 -9.406 -16.766 1.00 0.00 O ATOM 463 CB LEU A 38 13.468 -7.441 -15.579 1.00 0.00 C ATOM 464 CG LEU A 38 14.879 -7.033 -15.149 1.00 0.00 C ATOM 465 CD1 LEU A 38 15.113 -5.563 -15.499 1.00 0.00 C ATOM 466 CD2 LEU A 38 15.032 -7.229 -13.640 1.00 0.00 C ATOM 0 H LEU A 38 14.958 -7.711 -17.653 1.00 0.00 H new ATOM 0 HA LEU A 38 13.644 -9.586 -15.769 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.006 -6.639 -16.154 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.843 -7.605 -14.701 1.00 0.00 H new ATOM 0 HG LEU A 38 15.610 -7.652 -15.670 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.118 -5.272 -15.193 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.007 -5.424 -16.575 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.382 -4.944 -14.979 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.037 -6.938 -13.335 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.301 -6.612 -13.117 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.866 -8.277 -13.391 1.00 0.00 H new ATOM 478 N GLU A 39 12.232 -8.377 -18.448 1.00 0.00 N ATOM 479 CA GLU A 39 10.997 -8.492 -19.271 1.00 0.00 C ATOM 480 C GLU A 39 11.358 -9.032 -20.654 1.00 0.00 C ATOM 481 O GLU A 39 12.317 -8.606 -21.266 1.00 0.00 O ATOM 482 CB GLU A 39 10.346 -7.115 -19.416 1.00 0.00 C ATOM 483 CG GLU A 39 9.027 -7.092 -18.641 1.00 0.00 C ATOM 484 CD GLU A 39 8.010 -6.228 -19.392 1.00 0.00 C ATOM 485 OE1 GLU A 39 8.340 -5.095 -19.703 1.00 0.00 O ATOM 486 OE2 GLU A 39 6.920 -6.713 -19.642 1.00 0.00 O ATOM 0 H GLU A 39 13.017 -7.910 -18.901 1.00 0.00 H new ATOM 0 HA GLU A 39 10.299 -9.172 -18.784 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.016 -6.342 -19.038 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.166 -6.895 -20.468 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.644 -8.106 -18.524 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.188 -6.695 -17.639 1.00 0.00 H new ATOM 493 N GLU A 40 10.596 -9.965 -21.154 1.00 0.00 N ATOM 494 CA GLU A 40 10.896 -10.527 -22.498 1.00 0.00 C ATOM 495 C GLU A 40 9.832 -10.054 -23.490 1.00 0.00 C ATOM 496 O GLU A 40 8.654 -10.049 -23.196 1.00 0.00 O ATOM 497 CB GLU A 40 10.892 -12.056 -22.427 1.00 0.00 C ATOM 498 CG GLU A 40 10.718 -12.638 -23.832 1.00 0.00 C ATOM 499 CD GLU A 40 11.269 -14.065 -23.866 1.00 0.00 C ATOM 500 OE1 GLU A 40 12.096 -14.380 -23.027 1.00 0.00 O ATOM 501 OE2 GLU A 40 10.852 -14.819 -24.730 1.00 0.00 O ATOM 0 H GLU A 40 9.779 -10.362 -20.689 1.00 0.00 H new ATOM 0 HA GLU A 40 11.878 -10.187 -22.827 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.824 -12.412 -21.989 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.085 -12.397 -21.779 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.664 -12.637 -24.109 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.240 -12.018 -24.561 1.00 0.00 H new ATOM 508 N HIS A 41 10.238 -9.662 -24.664 1.00 0.00 N ATOM 509 CA HIS A 41 9.254 -9.196 -25.677 1.00 0.00 C ATOM 510 C HIS A 41 9.394 -10.051 -26.934 1.00 0.00 C ATOM 511 O HIS A 41 9.278 -9.568 -28.044 1.00 0.00 O ATOM 512 CB HIS A 41 9.535 -7.733 -26.021 1.00 0.00 C ATOM 513 CG HIS A 41 9.523 -6.912 -24.761 1.00 0.00 C ATOM 514 ND1 HIS A 41 8.672 -5.831 -24.589 1.00 0.00 N ATOM 515 CD2 HIS A 41 10.254 -7.002 -23.601 1.00 0.00 C ATOM 516 CE1 HIS A 41 8.909 -5.319 -23.367 1.00 0.00 C ATOM 517 NE2 HIS A 41 9.865 -5.995 -22.723 1.00 0.00 N ATOM 0 H HIS A 41 11.212 -9.644 -24.966 1.00 0.00 H new ATOM 0 HA HIS A 41 8.243 -9.286 -25.281 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.502 -7.644 -26.517 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.784 -7.361 -26.718 1.00 0.00 H new ATOM 0 HD1 HIS A 41 7.991 -5.487 -25.265 1.00 0.00 H new ATOM 0 HD2 HIS A 41 11.015 -7.742 -23.401 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.390 -4.466 -22.957 1.00 0.00 H new ATOM 525 N GLY A 42 9.647 -11.320 -26.769 1.00 0.00 N ATOM 526 CA GLY A 42 9.801 -12.209 -27.951 1.00 0.00 C ATOM 527 C GLY A 42 11.258 -12.189 -28.415 1.00 0.00 C ATOM 528 O GLY A 42 12.104 -12.867 -27.867 1.00 0.00 O ATOM 0 H GLY A 42 9.754 -11.779 -25.864 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.503 -13.226 -27.696 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.146 -11.877 -28.757 1.00 0.00 H new ATOM 532 N GLU A 43 11.554 -11.426 -29.429 1.00 0.00 N ATOM 533 CA GLU A 43 12.953 -11.372 -29.937 1.00 0.00 C ATOM 534 C GLU A 43 13.736 -10.262 -29.227 1.00 0.00 C ATOM 535 O GLU A 43 14.939 -10.165 -29.361 1.00 0.00 O ATOM 536 CB GLU A 43 12.935 -11.094 -31.442 1.00 0.00 C ATOM 537 CG GLU A 43 12.742 -12.407 -32.202 1.00 0.00 C ATOM 538 CD GLU A 43 13.018 -12.180 -33.689 1.00 0.00 C ATOM 539 OE1 GLU A 43 13.030 -11.031 -34.101 1.00 0.00 O ATOM 540 OE2 GLU A 43 13.214 -13.157 -34.392 1.00 0.00 O ATOM 0 H GLU A 43 10.888 -10.837 -29.928 1.00 0.00 H new ATOM 0 HA GLU A 43 13.437 -12.328 -29.740 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.131 -10.400 -31.685 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.868 -10.620 -31.746 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.414 -13.170 -31.809 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.726 -12.775 -32.062 1.00 0.00 H new ATOM 547 N TRP A 44 13.074 -9.418 -28.480 1.00 0.00 N ATOM 548 CA TRP A 44 13.811 -8.321 -27.786 1.00 0.00 C ATOM 549 C TRP A 44 13.408 -8.259 -26.309 1.00 0.00 C ATOM 550 O TRP A 44 12.251 -8.377 -25.966 1.00 0.00 O ATOM 551 CB TRP A 44 13.479 -6.987 -28.456 1.00 0.00 C ATOM 552 CG TRP A 44 14.528 -6.658 -29.469 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.610 -7.198 -30.706 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.642 -5.724 -29.355 1.00 0.00 C ATOM 555 NE1 TRP A 44 15.702 -6.656 -31.359 1.00 0.00 N ATOM 556 CE2 TRP A 44 16.371 -5.742 -30.567 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.086 -4.871 -28.328 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.500 -4.945 -30.755 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.223 -4.066 -28.513 1.00 0.00 C ATOM 560 CH2 TRP A 44 17.927 -4.104 -29.724 1.00 0.00 C ATOM 0 H TRP A 44 12.067 -9.439 -28.321 1.00 0.00 H new ATOM 0 HA TRP A 44 14.881 -8.516 -27.853 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.502 -7.043 -28.935 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.422 -6.197 -27.707 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.933 -7.933 -31.117 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.980 -6.901 -32.309 1.00 0.00 H new ATOM 0 HE3 TRP A 44 15.550 -4.835 -27.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 18.040 -4.978 -31.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 17.556 -3.415 -27.718 1.00 0.00 H new ATOM 0 HH2 TRP A 44 18.800 -3.483 -29.861 1.00 0.00 H new ATOM 571 N TRP A 45 14.357 -8.054 -25.434 1.00 0.00 N ATOM 572 CA TRP A 45 14.024 -7.963 -23.982 1.00 0.00 C ATOM 573 C TRP A 45 14.779 -6.786 -23.362 1.00 0.00 C ATOM 574 O TRP A 45 15.714 -6.265 -23.935 1.00 0.00 O ATOM 575 CB TRP A 45 14.426 -9.248 -23.248 1.00 0.00 C ATOM 576 CG TRP A 45 14.620 -10.373 -24.212 1.00 0.00 C ATOM 577 CD1 TRP A 45 13.746 -10.741 -25.177 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.745 -11.294 -24.305 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.266 -11.825 -25.860 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.498 -12.203 -25.360 1.00 0.00 C ATOM 581 CE3 TRP A 45 16.946 -11.423 -23.584 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.411 -13.206 -25.688 1.00 0.00 C ATOM 583 CZ3 TRP A 45 17.867 -12.431 -23.911 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.600 -13.320 -24.961 1.00 0.00 C ATOM 0 H TRP A 45 15.346 -7.946 -25.661 1.00 0.00 H new ATOM 0 HA TRP A 45 12.948 -7.821 -23.884 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.346 -9.080 -22.689 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.657 -9.513 -22.523 1.00 0.00 H new ATOM 0 HD1 TRP A 45 12.798 -10.266 -25.380 1.00 0.00 H new ATOM 0 HE1 TRP A 45 13.798 -12.289 -26.638 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.161 -10.742 -22.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.201 -13.889 -26.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.786 -12.522 -23.351 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.312 -14.093 -25.209 1.00 0.00 H new ATOM 595 N LYS A 46 14.392 -6.378 -22.186 1.00 0.00 N ATOM 596 CA LYS A 46 15.099 -5.253 -21.513 1.00 0.00 C ATOM 597 C LYS A 46 15.877 -5.822 -20.328 1.00 0.00 C ATOM 598 O LYS A 46 15.317 -6.439 -19.444 1.00 0.00 O ATOM 599 CB LYS A 46 14.080 -4.222 -21.025 1.00 0.00 C ATOM 600 CG LYS A 46 14.681 -2.818 -21.114 1.00 0.00 C ATOM 601 CD LYS A 46 13.615 -1.783 -20.746 1.00 0.00 C ATOM 602 CE LYS A 46 14.294 -0.501 -20.257 1.00 0.00 C ATOM 603 NZ LYS A 46 13.422 0.670 -20.557 1.00 0.00 N ATOM 0 H LYS A 46 13.614 -6.776 -21.660 1.00 0.00 H new ATOM 0 HA LYS A 46 15.781 -4.763 -22.208 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.174 -4.279 -21.628 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.792 -4.440 -19.997 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.534 -2.733 -20.441 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.051 -2.632 -22.122 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.988 -1.568 -21.611 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.961 -2.180 -19.969 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.482 -0.563 -19.185 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.262 -0.381 -20.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.919 1.547 -20.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.195 0.683 -21.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.543 0.598 -20.006 1.00 0.00 H new ATOM 617 N ALA A 47 17.166 -5.643 -20.318 1.00 0.00 N ATOM 618 CA ALA A 47 17.982 -6.201 -19.206 1.00 0.00 C ATOM 619 C ALA A 47 18.636 -5.078 -18.399 1.00 0.00 C ATOM 620 O ALA A 47 18.386 -3.909 -18.614 1.00 0.00 O ATOM 621 CB ALA A 47 19.074 -7.099 -19.789 1.00 0.00 C ATOM 0 H ALA A 47 17.690 -5.135 -21.031 1.00 0.00 H new ATOM 0 HA ALA A 47 17.331 -6.774 -18.546 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.676 -7.512 -18.980 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.615 -7.912 -20.351 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.710 -6.514 -20.453 1.00 0.00 H new ATOM 627 N LYS A 48 19.483 -5.440 -17.474 1.00 0.00 N ATOM 628 CA LYS A 48 20.179 -4.421 -16.642 1.00 0.00 C ATOM 629 C LYS A 48 21.648 -4.827 -16.500 1.00 0.00 C ATOM 630 O LYS A 48 21.974 -5.998 -16.475 1.00 0.00 O ATOM 631 CB LYS A 48 19.529 -4.353 -15.259 1.00 0.00 C ATOM 632 CG LYS A 48 20.326 -3.398 -14.367 1.00 0.00 C ATOM 633 CD LYS A 48 19.558 -3.155 -13.066 1.00 0.00 C ATOM 634 CE LYS A 48 19.371 -4.482 -12.329 1.00 0.00 C ATOM 635 NZ LYS A 48 17.919 -4.718 -12.092 1.00 0.00 N ATOM 0 H LYS A 48 19.724 -6.407 -17.258 1.00 0.00 H new ATOM 0 HA LYS A 48 20.106 -3.442 -17.115 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.498 -4.011 -15.346 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.498 -5.346 -14.811 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.307 -3.820 -14.149 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.493 -2.454 -14.885 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.102 -2.451 -12.436 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.588 -2.707 -13.282 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.792 -5.299 -12.916 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.907 -4.462 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.791 -5.620 -11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.531 -3.944 -11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.420 -4.755 -13.004 1.00 0.00 H new ATOM 649 N SER A 49 22.542 -3.878 -16.422 1.00 0.00 N ATOM 650 CA SER A 49 23.984 -4.232 -16.298 1.00 0.00 C ATOM 651 C SER A 49 24.333 -4.460 -14.830 1.00 0.00 C ATOM 652 O SER A 49 24.103 -3.613 -13.990 1.00 0.00 O ATOM 653 CB SER A 49 24.839 -3.092 -16.855 1.00 0.00 C ATOM 654 OG SER A 49 23.998 -2.123 -17.463 1.00 0.00 O ATOM 0 H SER A 49 22.337 -2.879 -16.439 1.00 0.00 H new ATOM 0 HA SER A 49 24.181 -5.144 -16.861 1.00 0.00 H new ATOM 0 HB2 SER A 49 25.420 -2.634 -16.054 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.551 -3.480 -17.584 1.00 0.00 H new ATOM 0 HG SER A 49 23.519 -2.531 -18.214 1.00 0.00 H new ATOM 660 N LEU A 50 24.883 -5.598 -14.507 1.00 0.00 N ATOM 661 CA LEU A 50 25.237 -5.865 -13.086 1.00 0.00 C ATOM 662 C LEU A 50 26.414 -4.972 -12.681 1.00 0.00 C ATOM 663 O LEU A 50 26.766 -4.875 -11.522 1.00 0.00 O ATOM 664 CB LEU A 50 25.624 -7.336 -12.921 1.00 0.00 C ATOM 665 CG LEU A 50 24.413 -8.131 -12.429 1.00 0.00 C ATOM 666 CD1 LEU A 50 24.240 -9.384 -13.290 1.00 0.00 C ATOM 667 CD2 LEU A 50 24.630 -8.539 -10.971 1.00 0.00 C ATOM 0 H LEU A 50 25.101 -6.350 -15.161 1.00 0.00 H new ATOM 0 HA LEU A 50 24.380 -5.647 -12.449 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.975 -7.739 -13.871 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.446 -7.429 -12.211 1.00 0.00 H new ATOM 0 HG LEU A 50 23.518 -7.513 -12.504 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.377 -9.950 -12.939 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.085 -9.093 -14.329 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.134 -10.003 -13.216 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.768 -9.105 -10.619 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.525 -9.156 -10.895 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.752 -7.646 -10.358 1.00 0.00 H new ATOM 679 N LEU A 51 27.025 -4.322 -13.635 1.00 0.00 N ATOM 680 CA LEU A 51 28.182 -3.435 -13.322 1.00 0.00 C ATOM 681 C LEU A 51 27.680 -2.029 -12.995 1.00 0.00 C ATOM 682 O LEU A 51 27.993 -1.471 -11.961 1.00 0.00 O ATOM 683 CB LEU A 51 29.113 -3.370 -14.534 1.00 0.00 C ATOM 684 CG LEU A 51 30.275 -2.420 -14.233 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.062 -2.945 -13.030 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.197 -2.338 -15.451 1.00 0.00 C ATOM 0 H LEU A 51 26.771 -4.368 -14.622 1.00 0.00 H new ATOM 0 HA LEU A 51 28.722 -3.835 -12.464 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.493 -4.364 -14.768 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.564 -3.024 -15.410 1.00 0.00 H new ATOM 0 HG LEU A 51 29.885 -1.428 -14.008 1.00 0.00 H new ATOM 0 HD11 LEU A 51 31.890 -2.270 -12.814 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.405 -3.002 -12.162 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.452 -3.937 -13.256 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.024 -1.661 -15.236 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.589 -3.329 -15.678 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.636 -1.965 -16.308 1.00 0.00 H new ATOM 698 N THR A 52 26.906 -1.453 -13.868 1.00 0.00 N ATOM 699 CA THR A 52 26.380 -0.082 -13.610 1.00 0.00 C ATOM 700 C THR A 52 24.884 -0.160 -13.310 1.00 0.00 C ATOM 701 O THR A 52 24.207 0.843 -13.211 1.00 0.00 O ATOM 702 CB THR A 52 26.612 0.795 -14.843 1.00 0.00 C ATOM 703 OG1 THR A 52 25.711 1.894 -14.815 1.00 0.00 O ATOM 704 CG2 THR A 52 26.376 -0.029 -16.109 1.00 0.00 C ATOM 0 H THR A 52 26.613 -1.871 -14.751 1.00 0.00 H new ATOM 0 HA THR A 52 26.899 0.352 -12.755 1.00 0.00 H new ATOM 0 HB THR A 52 27.637 1.165 -14.840 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.319 1.973 -13.920 1.00 0.00 H new ATOM 0 HG21 THR A 52 26.541 0.596 -16.986 1.00 0.00 H new ATOM 0 HG22 THR A 52 27.067 -0.872 -16.129 1.00 0.00 H new ATOM 0 HG23 THR A 52 25.351 -0.400 -16.116 1.00 0.00 H new ATOM 712 N LYS A 53 24.363 -1.346 -13.156 1.00 0.00 N ATOM 713 CA LYS A 53 22.913 -1.493 -12.853 1.00 0.00 C ATOM 714 C LYS A 53 22.087 -0.674 -13.843 1.00 0.00 C ATOM 715 O LYS A 53 20.973 -0.283 -13.558 1.00 0.00 O ATOM 716 CB LYS A 53 22.640 -1.003 -11.430 1.00 0.00 C ATOM 717 CG LYS A 53 23.768 -1.469 -10.506 1.00 0.00 C ATOM 718 CD LYS A 53 23.430 -1.100 -9.060 1.00 0.00 C ATOM 719 CE LYS A 53 23.981 -2.172 -8.119 1.00 0.00 C ATOM 720 NZ LYS A 53 24.457 -1.532 -6.861 1.00 0.00 N ATOM 0 H LYS A 53 24.881 -2.222 -13.227 1.00 0.00 H new ATOM 0 HA LYS A 53 22.633 -2.543 -12.939 1.00 0.00 H new ATOM 0 HB2 LYS A 53 22.569 0.085 -11.416 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.684 -1.389 -11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 53 23.903 -2.547 -10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 53 24.709 -1.004 -10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 53 23.857 -0.128 -8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 53 22.350 -1.014 -8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 53 23.208 -2.907 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.800 -2.707 -8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.832 -2.261 -6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.207 -0.847 -7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 23.665 -1.041 -6.400 1.00 0.00 H new ATOM 734 N LYS A 54 22.611 -0.424 -15.009 1.00 0.00 N ATOM 735 CA LYS A 54 21.837 0.353 -16.012 1.00 0.00 C ATOM 736 C LYS A 54 20.875 -0.601 -16.719 1.00 0.00 C ATOM 737 O LYS A 54 21.198 -1.746 -16.959 1.00 0.00 O ATOM 738 CB LYS A 54 22.791 0.977 -17.033 1.00 0.00 C ATOM 739 CG LYS A 54 22.977 2.462 -16.714 1.00 0.00 C ATOM 740 CD LYS A 54 22.785 3.285 -17.990 1.00 0.00 C ATOM 741 CE LYS A 54 21.813 4.434 -17.713 1.00 0.00 C ATOM 742 NZ LYS A 54 21.659 5.260 -18.943 1.00 0.00 N ATOM 0 H LYS A 54 23.539 -0.723 -15.309 1.00 0.00 H new ATOM 0 HA LYS A 54 21.281 1.152 -15.521 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.753 0.465 -17.008 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.392 0.857 -18.040 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.260 2.775 -15.955 1.00 0.00 H new ATOM 0 HG3 LYS A 54 23.972 2.635 -16.303 1.00 0.00 H new ATOM 0 HD2 LYS A 54 23.743 3.679 -18.330 1.00 0.00 H new ATOM 0 HD3 LYS A 54 22.399 2.652 -18.789 1.00 0.00 H new ATOM 0 HE2 LYS A 54 20.845 4.039 -17.403 1.00 0.00 H new ATOM 0 HE3 LYS A 54 22.184 5.049 -16.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 20.999 6.041 -18.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 22.584 5.647 -19.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 21.287 4.669 -19.714 1.00 0.00 H new ATOM 756 N GLU A 55 19.700 -0.150 -17.053 1.00 0.00 N ATOM 757 CA GLU A 55 18.737 -1.052 -17.741 1.00 0.00 C ATOM 758 C GLU A 55 18.396 -0.479 -19.115 1.00 0.00 C ATOM 759 O GLU A 55 18.265 0.717 -19.286 1.00 0.00 O ATOM 760 CB GLU A 55 17.463 -1.182 -16.904 1.00 0.00 C ATOM 761 CG GLU A 55 16.795 0.189 -16.779 1.00 0.00 C ATOM 762 CD GLU A 55 16.508 0.483 -15.305 1.00 0.00 C ATOM 763 OE1 GLU A 55 16.590 -0.439 -14.511 1.00 0.00 O ATOM 764 OE2 GLU A 55 16.213 1.626 -14.997 1.00 0.00 O ATOM 0 H GLU A 55 19.366 0.798 -16.881 1.00 0.00 H new ATOM 0 HA GLU A 55 19.187 -2.038 -17.862 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.779 -1.891 -17.371 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.703 -1.574 -15.915 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.443 0.960 -17.196 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.868 0.208 -17.352 1.00 0.00 H new ATOM 771 N GLY A 56 18.259 -1.325 -20.097 1.00 0.00 N ATOM 772 CA GLY A 56 17.936 -0.831 -21.461 1.00 0.00 C ATOM 773 C GLY A 56 17.407 -1.986 -22.304 1.00 0.00 C ATOM 774 O GLY A 56 17.077 -3.040 -21.798 1.00 0.00 O ATOM 0 H GLY A 56 18.357 -2.337 -20.013 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.192 -0.036 -21.406 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.825 -0.404 -21.925 1.00 0.00 H new ATOM 778 N PHE A 57 17.332 -1.798 -23.588 1.00 0.00 N ATOM 779 CA PHE A 57 16.827 -2.888 -24.464 1.00 0.00 C ATOM 780 C PHE A 57 18.011 -3.661 -25.048 1.00 0.00 C ATOM 781 O PHE A 57 18.961 -3.090 -25.544 1.00 0.00 O ATOM 782 CB PHE A 57 15.983 -2.298 -25.594 1.00 0.00 C ATOM 783 CG PHE A 57 14.527 -2.629 -25.364 1.00 0.00 C ATOM 784 CD1 PHE A 57 14.127 -3.962 -25.213 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.578 -1.601 -25.303 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.778 -4.268 -25.001 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.229 -1.908 -25.090 1.00 0.00 C ATOM 788 CZ PHE A 57 11.829 -3.240 -24.939 1.00 0.00 C ATOM 0 H PHE A 57 17.598 -0.939 -24.069 1.00 0.00 H new ATOM 0 HA PHE A 57 16.207 -3.566 -23.877 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.118 -1.217 -25.637 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.310 -2.698 -26.553 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.859 -4.754 -25.260 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.887 -0.573 -25.420 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.469 -5.296 -24.885 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.496 -1.116 -25.042 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.788 -3.476 -24.775 1.00 0.00 H new ATOM 798 N ILE A 58 17.950 -4.962 -24.994 1.00 0.00 N ATOM 799 CA ILE A 58 19.058 -5.793 -25.547 1.00 0.00 C ATOM 800 C ILE A 58 18.472 -6.776 -26.561 1.00 0.00 C ATOM 801 O ILE A 58 17.398 -7.307 -26.361 1.00 0.00 O ATOM 802 CB ILE A 58 19.728 -6.572 -24.411 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.676 -7.385 -23.654 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.405 -5.591 -23.449 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.362 -8.508 -22.874 1.00 0.00 C ATOM 0 H ILE A 58 17.177 -5.489 -24.589 1.00 0.00 H new ATOM 0 HA ILE A 58 19.798 -5.155 -26.030 1.00 0.00 H new ATOM 0 HB ILE A 58 20.475 -7.247 -24.828 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.124 -6.739 -22.972 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.952 -7.803 -24.353 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.882 -6.145 -22.640 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.158 -5.015 -23.987 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.658 -4.914 -23.034 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.612 -9.087 -22.335 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.895 -9.160 -23.567 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.069 -8.079 -22.164 1.00 0.00 H new ATOM 817 N PRO A 59 19.178 -7.022 -27.674 1.00 0.00 N ATOM 818 CA PRO A 59 18.693 -7.941 -28.704 1.00 0.00 C ATOM 819 C PRO A 59 18.833 -9.396 -28.249 1.00 0.00 C ATOM 820 O PRO A 59 19.627 -9.703 -27.381 1.00 0.00 O ATOM 821 CB PRO A 59 19.607 -7.664 -29.895 1.00 0.00 C ATOM 822 CG PRO A 59 20.865 -7.122 -29.297 1.00 0.00 C ATOM 823 CD PRO A 59 20.485 -6.432 -28.013 1.00 0.00 C ATOM 0 HA PRO A 59 17.637 -7.795 -28.932 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.800 -8.573 -30.465 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.155 -6.948 -30.581 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.578 -7.925 -29.106 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.347 -6.424 -29.981 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.221 -6.611 -27.229 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.415 -5.352 -28.144 1.00 0.00 H new ATOM 831 N SER A 60 18.077 -10.299 -28.807 1.00 0.00 N ATOM 832 CA SER A 60 18.196 -11.719 -28.369 1.00 0.00 C ATOM 833 C SER A 60 19.240 -12.442 -29.223 1.00 0.00 C ATOM 834 O SER A 60 19.157 -13.636 -29.438 1.00 0.00 O ATOM 835 CB SER A 60 16.842 -12.414 -28.509 1.00 0.00 C ATOM 836 OG SER A 60 16.489 -12.488 -29.882 1.00 0.00 O ATOM 0 H SER A 60 17.389 -10.120 -29.539 1.00 0.00 H new ATOM 0 HA SER A 60 18.510 -11.747 -27.325 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.889 -13.415 -28.080 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.080 -11.865 -27.955 1.00 0.00 H new ATOM 0 HG SER A 60 15.869 -11.761 -30.100 1.00 0.00 H new ATOM 842 N ASN A 61 20.223 -11.735 -29.711 1.00 0.00 N ATOM 843 CA ASN A 61 21.266 -12.393 -30.548 1.00 0.00 C ATOM 844 C ASN A 61 22.649 -11.819 -30.219 1.00 0.00 C ATOM 845 O ASN A 61 23.649 -12.243 -30.763 1.00 0.00 O ATOM 846 CB ASN A 61 20.955 -12.153 -32.027 1.00 0.00 C ATOM 847 CG ASN A 61 21.776 -13.119 -32.884 1.00 0.00 C ATOM 848 OD1 ASN A 61 22.493 -12.701 -33.772 1.00 0.00 O ATOM 849 ND2 ASN A 61 21.701 -14.401 -32.655 1.00 0.00 N ATOM 0 H ASN A 61 20.349 -10.733 -29.567 1.00 0.00 H new ATOM 0 HA ASN A 61 21.267 -13.463 -30.339 1.00 0.00 H new ATOM 0 HB2 ASN A 61 19.891 -12.298 -32.214 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.188 -11.123 -32.296 1.00 0.00 H new ATOM 0 HD21 ASN A 61 22.244 -15.053 -33.221 1.00 0.00 H new ATOM 0 HD22 ASN A 61 21.099 -14.752 -31.910 1.00 0.00 H new ATOM 856 N TYR A 62 22.720 -10.850 -29.344 1.00 0.00 N ATOM 857 CA TYR A 62 24.048 -10.256 -29.007 1.00 0.00 C ATOM 858 C TYR A 62 24.550 -10.791 -27.665 1.00 0.00 C ATOM 859 O TYR A 62 25.736 -10.802 -27.405 1.00 0.00 O ATOM 860 CB TYR A 62 23.930 -8.734 -28.929 1.00 0.00 C ATOM 861 CG TYR A 62 23.927 -8.161 -30.326 1.00 0.00 C ATOM 862 CD1 TYR A 62 23.044 -8.665 -31.287 1.00 0.00 C ATOM 863 CD2 TYR A 62 24.811 -7.126 -30.659 1.00 0.00 C ATOM 864 CE1 TYR A 62 23.045 -8.135 -32.584 1.00 0.00 C ATOM 865 CE2 TYR A 62 24.811 -6.597 -31.955 1.00 0.00 C ATOM 866 CZ TYR A 62 23.928 -7.102 -32.917 1.00 0.00 C ATOM 867 OH TYR A 62 23.929 -6.581 -34.194 1.00 0.00 O ATOM 0 H TYR A 62 21.923 -10.447 -28.852 1.00 0.00 H new ATOM 0 HA TYR A 62 24.757 -10.532 -29.788 1.00 0.00 H new ATOM 0 HB2 TYR A 62 23.014 -8.455 -28.407 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.761 -8.322 -28.357 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.362 -9.462 -31.029 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.492 -6.737 -29.916 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.364 -8.524 -33.327 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.492 -5.799 -32.213 1.00 0.00 H new ATOM 0 HH TYR A 62 24.601 -5.871 -34.257 1.00 0.00 H new ATOM 877 N VAL A 63 23.674 -11.232 -26.804 1.00 0.00 N ATOM 878 CA VAL A 63 24.153 -11.751 -25.491 1.00 0.00 C ATOM 879 C VAL A 63 23.935 -13.264 -25.416 1.00 0.00 C ATOM 880 O VAL A 63 23.085 -13.815 -26.086 1.00 0.00 O ATOM 881 CB VAL A 63 23.401 -11.062 -24.353 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.478 -9.544 -24.538 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.933 -11.501 -24.366 1.00 0.00 C ATOM 0 H VAL A 63 22.665 -11.256 -26.948 1.00 0.00 H new ATOM 0 HA VAL A 63 25.218 -11.540 -25.394 1.00 0.00 H new ATOM 0 HB VAL A 63 23.854 -11.339 -23.401 1.00 0.00 H new ATOM 0 HG11 VAL A 63 22.942 -9.051 -23.727 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.521 -9.229 -24.528 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.026 -9.270 -25.491 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.399 -11.008 -23.554 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.479 -11.226 -25.318 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.875 -12.582 -24.236 1.00 0.00 H new ATOM 893 N ALA A 64 24.704 -13.937 -24.603 1.00 0.00 N ATOM 894 CA ALA A 64 24.554 -15.414 -24.478 1.00 0.00 C ATOM 895 C ALA A 64 23.805 -15.745 -23.187 1.00 0.00 C ATOM 896 O ALA A 64 24.153 -15.275 -22.122 1.00 0.00 O ATOM 897 CB ALA A 64 25.940 -16.060 -24.431 1.00 0.00 C ATOM 0 H ALA A 64 25.432 -13.525 -24.019 1.00 0.00 H new ATOM 0 HA ALA A 64 23.996 -15.795 -25.333 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.835 -17.141 -24.340 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.482 -15.824 -25.347 1.00 0.00 H new ATOM 0 HB3 ALA A 64 26.492 -15.675 -23.573 1.00 0.00 H new ATOM 903 N LYS A 65 22.782 -16.549 -23.263 1.00 0.00 N ATOM 904 CA LYS A 65 22.027 -16.900 -22.029 1.00 0.00 C ATOM 905 C LYS A 65 22.782 -17.989 -21.264 1.00 0.00 C ATOM 906 O LYS A 65 23.243 -18.957 -21.835 1.00 0.00 O ATOM 907 CB LYS A 65 20.635 -17.411 -22.407 1.00 0.00 C ATOM 908 CG LYS A 65 20.770 -18.621 -23.333 1.00 0.00 C ATOM 909 CD LYS A 65 19.411 -19.311 -23.468 1.00 0.00 C ATOM 910 CE LYS A 65 18.480 -18.441 -24.314 1.00 0.00 C ATOM 911 NZ LYS A 65 17.064 -18.811 -24.034 1.00 0.00 N ATOM 0 H LYS A 65 22.437 -16.977 -24.122 1.00 0.00 H new ATOM 0 HA LYS A 65 21.928 -16.015 -21.400 1.00 0.00 H new ATOM 0 HB2 LYS A 65 20.081 -17.686 -21.510 1.00 0.00 H new ATOM 0 HB3 LYS A 65 20.068 -16.622 -22.902 1.00 0.00 H new ATOM 0 HG2 LYS A 65 21.129 -18.305 -24.313 1.00 0.00 H new ATOM 0 HG3 LYS A 65 21.506 -19.318 -22.933 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.533 -20.290 -23.932 1.00 0.00 H new ATOM 0 HD3 LYS A 65 18.976 -19.477 -22.483 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.643 -17.387 -24.087 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.700 -18.577 -25.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.430 -18.220 -24.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.913 -19.812 -24.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.858 -18.660 -23.026 1.00 0.00 H new ATOM 925 N LEU A 66 22.915 -17.836 -19.975 1.00 0.00 N ATOM 926 CA LEU A 66 23.641 -18.860 -19.173 1.00 0.00 C ATOM 927 C LEU A 66 25.102 -18.921 -19.625 1.00 0.00 C ATOM 928 O LEU A 66 25.946 -18.206 -19.124 1.00 0.00 O ATOM 929 CB LEU A 66 22.985 -20.228 -19.378 1.00 0.00 C ATOM 930 CG LEU A 66 22.144 -20.578 -18.149 1.00 0.00 C ATOM 931 CD1 LEU A 66 20.981 -19.590 -18.028 1.00 0.00 C ATOM 932 CD2 LEU A 66 21.594 -21.998 -18.295 1.00 0.00 C ATOM 0 H LEU A 66 22.552 -17.045 -19.443 1.00 0.00 H new ATOM 0 HA LEU A 66 23.599 -18.592 -18.117 1.00 0.00 H new ATOM 0 HB2 LEU A 66 22.358 -20.213 -20.269 1.00 0.00 H new ATOM 0 HB3 LEU A 66 23.748 -20.989 -19.539 1.00 0.00 H new ATOM 0 HG LEU A 66 22.765 -20.519 -17.255 1.00 0.00 H new ATOM 0 HD11 LEU A 66 20.382 -19.839 -17.152 1.00 0.00 H new ATOM 0 HD12 LEU A 66 21.373 -18.578 -17.924 1.00 0.00 H new ATOM 0 HD13 LEU A 66 20.360 -19.648 -18.922 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.995 -22.248 -17.419 1.00 0.00 H new ATOM 0 HD22 LEU A 66 20.973 -22.058 -19.189 1.00 0.00 H new ATOM 0 HD23 LEU A 66 22.422 -22.702 -18.381 1.00 0.00 H new ATOM 944 N ASN A 67 25.406 -19.771 -20.568 1.00 0.00 N ATOM 945 CA ASN A 67 26.812 -19.875 -21.049 1.00 0.00 C ATOM 946 C ASN A 67 26.926 -21.034 -22.042 1.00 0.00 C ATOM 947 O ASN A 67 26.819 -22.188 -21.677 1.00 0.00 O ATOM 948 CB ASN A 67 27.741 -20.130 -19.861 1.00 0.00 C ATOM 949 CG ASN A 67 28.834 -19.060 -19.829 1.00 0.00 C ATOM 950 OD1 ASN A 67 29.399 -18.721 -20.849 1.00 0.00 O ATOM 951 ND2 ASN A 67 29.158 -18.512 -18.690 1.00 0.00 N ATOM 0 H ASN A 67 24.742 -20.397 -21.025 1.00 0.00 H new ATOM 0 HA ASN A 67 27.097 -18.945 -21.540 1.00 0.00 H new ATOM 0 HB2 ASN A 67 27.173 -20.112 -18.931 1.00 0.00 H new ATOM 0 HB3 ASN A 67 28.189 -21.120 -19.942 1.00 0.00 H new ATOM 0 HD21 ASN A 67 29.886 -17.799 -18.656 1.00 0.00 H new ATOM 0 HD22 ASN A 67 28.683 -18.797 -17.834 1.00 0.00 H new ATOM 958 N THR A 68 27.141 -20.737 -23.294 1.00 0.00 N ATOM 959 CA THR A 68 27.261 -21.823 -24.307 1.00 0.00 C ATOM 960 C THR A 68 27.998 -21.293 -25.539 1.00 0.00 C ATOM 961 O THR A 68 29.216 -21.360 -25.552 1.00 0.00 O ATOM 962 CB THR A 68 25.864 -22.299 -24.712 1.00 0.00 C ATOM 963 OG1 THR A 68 24.919 -21.863 -23.746 1.00 0.00 O ATOM 964 CG2 THR A 68 25.847 -23.826 -24.795 1.00 0.00 C ATOM 965 OXT THR A 68 27.331 -20.829 -26.450 1.00 0.00 O ATOM 0 H THR A 68 27.239 -19.790 -23.659 1.00 0.00 H new ATOM 0 HA THR A 68 27.819 -22.657 -23.882 1.00 0.00 H new ATOM 0 HB THR A 68 25.606 -21.883 -25.686 1.00 0.00 H new ATOM 0 HG1 THR A 68 24.023 -22.166 -24.005 1.00 0.00 H new ATOM 0 HG21 THR A 68 24.852 -24.164 -25.083 1.00 0.00 H new ATOM 0 HG22 THR A 68 26.572 -24.158 -25.538 1.00 0.00 H new ATOM 0 HG23 THR A 68 26.105 -24.246 -23.823 1.00 0.00 H new TER 973 THR A 68