USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 795 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 NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD NoAdj-H: A 93 HIS HE2 : A 93 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 97 ASN : amide:sc= -0.816 K(o=-1.2,f=-2) USER MOD Set 1.2: A 98 MET CE :methyl -149:sc= -0.42 (180deg=-1.52!) USER MOD Set 2.1: A 71 THR OG1 : rot 84:sc= -0.359! USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc=0.000755 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 22:sc= 0.466 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 24:sc= 0.0131 USER MOD Single : A 13 ASN : amide:sc= -0.7 K(o=-0.7,f=-6.1!) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= -0.841 (180deg=-2.36!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.198 K(o=-0.2,f=-4.6!) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 24:sc= 1.27 USER MOD Single : A 32 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.7) USER MOD Single : A 34 SER OG : rot 180:sc= -0.408 USER MOD Single : A 41 ASN : amide:sc= -0.949 K(o=-0.95,f=-1.7!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -63:sc= 0.0438 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -108:sc= -1.98 (180deg=-5.49!) USER MOD Single : A 59 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.0954 (180deg=-0.529) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -168:sc= -2.45! (180deg=-2.84) USER MOD Single : A 80 LYS NZ :NH3+ -132:sc= -1.08 (180deg=-3.07!) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0991 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 38:sc= 0.484 USER MOD Single : A 89 GLN : amide:sc= -2.03 K(o=-2,f=-0.3) USER MOD Single : A 94 ASN : amide:sc= -6.53! C(o=-6.5!,f=-5.3!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= -0.0781 X(o=-0.078,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 21:sc=0.000387 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -59.663 -10.986 14.403 1.00 0.00 N ATOM 2 CA GLY A 1 -60.509 -11.847 13.598 1.00 0.00 C ATOM 3 C GLY A 1 -59.716 -12.681 12.611 1.00 0.00 C ATOM 4 O GLY A 1 -58.798 -13.404 12.996 1.00 0.00 O ATOM 0 H1 GLY A 1 -60.252 -10.437 15.061 1.00 0.00 H new ATOM 0 H2 GLY A 1 -58.990 -11.567 14.943 1.00 0.00 H new ATOM 0 H3 GLY A 1 -59.139 -10.336 13.783 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -61.077 -12.508 14.253 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -61.231 -11.237 13.056 1.00 0.00 H new ATOM 8 N SER A 2 -60.072 -12.581 11.334 1.00 0.00 N ATOM 9 CA SER A 2 -59.390 -13.336 10.289 1.00 0.00 C ATOM 10 C SER A 2 -58.449 -12.436 9.494 1.00 0.00 C ATOM 11 O SER A 2 -58.792 -11.301 9.162 1.00 0.00 O ATOM 12 CB SER A 2 -60.410 -13.984 9.351 1.00 0.00 C ATOM 13 OG SER A 2 -61.148 -13.002 8.645 1.00 0.00 O ATOM 0 H SER A 2 -60.828 -11.985 10.998 1.00 0.00 H new ATOM 0 HA SER A 2 -58.799 -14.117 10.766 1.00 0.00 H new ATOM 0 HB2 SER A 2 -59.896 -14.636 8.644 1.00 0.00 H new ATOM 0 HB3 SER A 2 -61.091 -14.611 9.926 1.00 0.00 H new ATOM 0 HG SER A 2 -61.792 -13.441 8.051 1.00 0.00 H new ATOM 19 N SER A 3 -57.262 -12.952 9.192 1.00 0.00 N ATOM 20 CA SER A 3 -56.269 -12.195 8.439 1.00 0.00 C ATOM 21 C SER A 3 -55.255 -13.128 7.785 1.00 0.00 C ATOM 22 O SER A 3 -54.631 -13.951 8.453 1.00 0.00 O ATOM 23 CB SER A 3 -55.550 -11.203 9.355 1.00 0.00 C ATOM 24 OG SER A 3 -54.710 -11.877 10.276 1.00 0.00 O ATOM 0 H SER A 3 -56.965 -13.891 9.457 1.00 0.00 H new ATOM 0 HA SER A 3 -56.788 -11.644 7.655 1.00 0.00 H new ATOM 0 HB2 SER A 3 -54.957 -10.513 8.755 1.00 0.00 H new ATOM 0 HB3 SER A 3 -56.283 -10.606 9.897 1.00 0.00 H new ATOM 0 HG SER A 3 -54.487 -12.765 9.926 1.00 0.00 H new ATOM 30 N GLY A 4 -55.097 -12.994 6.472 1.00 0.00 N ATOM 31 CA GLY A 4 -54.158 -13.831 5.748 1.00 0.00 C ATOM 32 C GLY A 4 -53.146 -13.022 4.961 1.00 0.00 C ATOM 33 O GLY A 4 -53.473 -11.968 4.416 1.00 0.00 O ATOM 0 H GLY A 4 -55.603 -12.321 5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -53.633 -14.476 6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -54.707 -14.482 5.067 1.00 0.00 H new ATOM 37 N SER A 5 -51.913 -13.514 4.903 1.00 0.00 N ATOM 38 CA SER A 5 -50.848 -12.827 4.181 1.00 0.00 C ATOM 39 C SER A 5 -49.701 -13.781 3.867 1.00 0.00 C ATOM 40 O SER A 5 -49.378 -14.665 4.661 1.00 0.00 O ATOM 41 CB SER A 5 -50.331 -11.642 5.000 1.00 0.00 C ATOM 42 OG SER A 5 -49.899 -12.059 6.283 1.00 0.00 O ATOM 0 H SER A 5 -51.626 -14.386 5.347 1.00 0.00 H new ATOM 0 HA SER A 5 -51.259 -12.459 3.241 1.00 0.00 H new ATOM 0 HB2 SER A 5 -49.506 -11.164 4.473 1.00 0.00 H new ATOM 0 HB3 SER A 5 -51.119 -10.896 5.103 1.00 0.00 H new ATOM 0 HG SER A 5 -49.572 -11.284 6.786 1.00 0.00 H new ATOM 48 N SER A 6 -49.088 -13.596 2.702 1.00 0.00 N ATOM 49 CA SER A 6 -47.979 -14.443 2.279 1.00 0.00 C ATOM 50 C SER A 6 -47.356 -13.918 0.988 1.00 0.00 C ATOM 51 O SER A 6 -48.061 -13.592 0.034 1.00 0.00 O ATOM 52 CB SER A 6 -48.455 -15.883 2.080 1.00 0.00 C ATOM 53 OG SER A 6 -49.259 -15.998 0.919 1.00 0.00 O ATOM 0 H SER A 6 -49.341 -12.867 2.035 1.00 0.00 H new ATOM 0 HA SER A 6 -47.221 -14.424 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 6 -47.594 -16.546 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 6 -49.023 -16.206 2.953 1.00 0.00 H new ATOM 0 HG SER A 6 -49.549 -16.928 0.813 1.00 0.00 H new ATOM 59 N GLY A 7 -46.029 -13.840 0.968 1.00 0.00 N ATOM 60 CA GLY A 7 -45.333 -13.354 -0.210 1.00 0.00 C ATOM 61 C GLY A 7 -43.827 -13.368 -0.039 1.00 0.00 C ATOM 62 O GLY A 7 -43.238 -12.390 0.418 1.00 0.00 O ATOM 0 H GLY A 7 -45.424 -14.104 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -45.604 -13.969 -1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -45.661 -12.338 -0.429 1.00 0.00 H new ATOM 66 N ALA A 8 -43.202 -14.482 -0.407 1.00 0.00 N ATOM 67 CA ALA A 8 -41.755 -14.620 -0.293 1.00 0.00 C ATOM 68 C ALA A 8 -41.193 -15.467 -1.429 1.00 0.00 C ATOM 69 O ALA A 8 -41.847 -16.394 -1.908 1.00 0.00 O ATOM 70 CB ALA A 8 -41.387 -15.227 1.053 1.00 0.00 C ATOM 0 H ALA A 8 -43.675 -15.302 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 8 -41.313 -13.626 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -40.304 -15.324 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -41.747 -14.581 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -41.847 -16.211 1.146 1.00 0.00 H new ATOM 76 N SER A 9 -39.977 -15.143 -1.858 1.00 0.00 N ATOM 77 CA SER A 9 -39.329 -15.872 -2.941 1.00 0.00 C ATOM 78 C SER A 9 -37.828 -15.989 -2.696 1.00 0.00 C ATOM 79 O SER A 9 -37.191 -15.090 -2.147 1.00 0.00 O ATOM 80 CB SER A 9 -39.585 -15.174 -4.279 1.00 0.00 C ATOM 81 OG SER A 9 -40.798 -15.619 -4.861 1.00 0.00 O ATOM 0 H SER A 9 -39.421 -14.380 -1.472 1.00 0.00 H new ATOM 0 HA SER A 9 -39.754 -16.875 -2.975 1.00 0.00 H new ATOM 0 HB2 SER A 9 -39.624 -14.095 -4.129 1.00 0.00 H new ATOM 0 HB3 SER A 9 -38.757 -15.371 -4.960 1.00 0.00 H new ATOM 0 HG SER A 9 -41.389 -15.966 -4.161 1.00 0.00 H new ATOM 87 N PRO A 10 -37.248 -17.125 -3.111 1.00 0.00 N ATOM 88 CA PRO A 10 -35.815 -17.388 -2.947 1.00 0.00 C ATOM 89 C PRO A 10 -34.958 -16.506 -3.848 1.00 0.00 C ATOM 90 O PRO A 10 -35.477 -15.711 -4.631 1.00 0.00 O ATOM 91 CB PRO A 10 -35.676 -18.859 -3.350 1.00 0.00 C ATOM 92 CG PRO A 10 -36.824 -19.111 -4.265 1.00 0.00 C ATOM 93 CD PRO A 10 -37.947 -18.240 -3.772 1.00 0.00 C ATOM 0 HA PRO A 10 -35.475 -17.175 -1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -34.724 -19.045 -3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -35.713 -19.513 -2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -36.563 -18.866 -5.295 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -37.111 -20.163 -4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -38.575 -17.891 -4.592 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -38.596 -18.775 -3.079 1.00 0.00 H new ATOM 101 N VAL A 11 -33.641 -16.652 -3.732 1.00 0.00 N ATOM 102 CA VAL A 11 -32.711 -15.870 -4.537 1.00 0.00 C ATOM 103 C VAL A 11 -31.602 -16.748 -5.105 1.00 0.00 C ATOM 104 O VAL A 11 -30.945 -17.486 -4.371 1.00 0.00 O ATOM 105 CB VAL A 11 -32.079 -14.730 -3.716 1.00 0.00 C ATOM 106 CG1 VAL A 11 -31.082 -13.952 -4.561 1.00 0.00 C ATOM 107 CG2 VAL A 11 -33.158 -13.809 -3.166 1.00 0.00 C ATOM 0 H VAL A 11 -33.195 -17.305 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 11 -33.286 -15.441 -5.357 1.00 0.00 H new ATOM 0 HB VAL A 11 -31.542 -15.166 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -30.646 -13.151 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -30.292 -14.622 -4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -31.592 -13.525 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -32.694 -13.009 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -33.725 -13.379 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -33.829 -14.378 -2.523 1.00 0.00 H new ATOM 117 N GLU A 12 -31.400 -16.663 -6.416 1.00 0.00 N ATOM 118 CA GLU A 12 -30.370 -17.452 -7.082 1.00 0.00 C ATOM 119 C GLU A 12 -29.339 -16.546 -7.750 1.00 0.00 C ATOM 120 O GLU A 12 -29.451 -15.322 -7.705 1.00 0.00 O ATOM 121 CB GLU A 12 -30.999 -18.380 -8.122 1.00 0.00 C ATOM 122 CG GLU A 12 -31.699 -17.643 -9.252 1.00 0.00 C ATOM 123 CD GLU A 12 -32.938 -16.904 -8.787 1.00 0.00 C ATOM 124 OE1 GLU A 12 -33.868 -17.566 -8.280 1.00 0.00 O ATOM 125 OE2 GLU A 12 -32.979 -15.664 -8.929 1.00 0.00 O ATOM 0 H GLU A 12 -31.935 -16.057 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 12 -29.865 -18.055 -6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -30.223 -19.019 -8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -31.717 -19.034 -7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -31.005 -16.933 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -31.976 -18.356 -10.029 1.00 0.00 H new ATOM 132 N ASN A 13 -28.334 -17.159 -8.368 1.00 0.00 N ATOM 133 CA ASN A 13 -27.282 -16.409 -9.045 1.00 0.00 C ATOM 134 C ASN A 13 -27.841 -15.648 -10.243 1.00 0.00 C ATOM 135 O ASN A 13 -28.598 -16.197 -11.044 1.00 0.00 O ATOM 136 CB ASN A 13 -26.167 -17.353 -9.500 1.00 0.00 C ATOM 137 CG ASN A 13 -24.967 -16.606 -10.050 1.00 0.00 C ATOM 138 OD1 ASN A 13 -24.957 -15.376 -10.100 1.00 0.00 O ATOM 139 ND2 ASN A 13 -23.948 -17.349 -10.466 1.00 0.00 N ATOM 0 H ASN A 13 -28.226 -18.172 -8.414 1.00 0.00 H new ATOM 0 HA ASN A 13 -26.872 -15.687 -8.339 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -25.853 -17.972 -8.659 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -26.554 -18.027 -10.264 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.113 -16.903 -10.846 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -24.000 -18.366 -10.406 1.00 0.00 H new ATOM 146 N LYS A 14 -27.462 -14.380 -10.361 1.00 0.00 N ATOM 147 CA LYS A 14 -27.922 -13.543 -11.462 1.00 0.00 C ATOM 148 C LYS A 14 -26.861 -12.517 -11.846 1.00 0.00 C ATOM 149 O LYS A 14 -25.998 -12.172 -11.039 1.00 0.00 O ATOM 150 CB LYS A 14 -29.221 -12.829 -11.079 1.00 0.00 C ATOM 151 CG LYS A 14 -30.326 -13.773 -10.639 1.00 0.00 C ATOM 152 CD LYS A 14 -31.511 -13.015 -10.064 1.00 0.00 C ATOM 153 CE LYS A 14 -31.331 -12.743 -8.578 1.00 0.00 C ATOM 154 NZ LYS A 14 -30.357 -11.644 -8.329 1.00 0.00 N ATOM 0 H LYS A 14 -26.837 -13.909 -9.707 1.00 0.00 H new ATOM 0 HA LYS A 14 -28.108 -14.187 -12.322 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -29.015 -12.124 -10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -29.570 -12.246 -11.931 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -30.654 -14.372 -11.489 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -29.938 -14.465 -9.892 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -31.633 -12.071 -10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -32.423 -13.590 -10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -32.293 -12.482 -8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -30.989 -13.651 -8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -30.610 -11.149 -7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -29.400 -12.042 -8.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -30.380 -10.973 -9.123 1.00 0.00 H new ATOM 168 N GLU A 15 -26.932 -12.033 -13.082 1.00 0.00 N ATOM 169 CA GLU A 15 -25.976 -11.046 -13.572 1.00 0.00 C ATOM 170 C GLU A 15 -25.617 -10.046 -12.476 1.00 0.00 C ATOM 171 O GLU A 15 -26.447 -9.237 -12.062 1.00 0.00 O ATOM 172 CB GLU A 15 -26.548 -10.307 -14.784 1.00 0.00 C ATOM 173 CG GLU A 15 -27.822 -9.538 -14.482 1.00 0.00 C ATOM 174 CD GLU A 15 -28.710 -9.378 -15.701 1.00 0.00 C ATOM 175 OE1 GLU A 15 -28.272 -8.724 -16.671 1.00 0.00 O ATOM 176 OE2 GLU A 15 -29.841 -9.905 -15.685 1.00 0.00 O ATOM 0 H GLU A 15 -27.641 -12.308 -13.762 1.00 0.00 H new ATOM 0 HA GLU A 15 -25.070 -11.573 -13.871 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -25.797 -9.614 -15.164 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -26.748 -11.027 -15.577 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -28.377 -10.054 -13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -27.564 -8.553 -14.093 1.00 0.00 H new ATOM 183 N VAL A 16 -24.374 -10.110 -12.009 1.00 0.00 N ATOM 184 CA VAL A 16 -23.904 -9.211 -10.962 1.00 0.00 C ATOM 185 C VAL A 16 -22.639 -8.477 -11.394 1.00 0.00 C ATOM 186 O VAL A 16 -21.811 -9.023 -12.123 1.00 0.00 O ATOM 187 CB VAL A 16 -23.619 -9.974 -9.654 1.00 0.00 C ATOM 188 CG1 VAL A 16 -22.488 -10.971 -9.852 1.00 0.00 C ATOM 189 CG2 VAL A 16 -23.292 -9.001 -8.531 1.00 0.00 C ATOM 0 H VAL A 16 -23.675 -10.775 -12.339 1.00 0.00 H new ATOM 0 HA VAL A 16 -24.699 -8.486 -10.787 1.00 0.00 H new ATOM 0 HB VAL A 16 -24.515 -10.529 -9.375 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -22.301 -11.500 -8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -22.766 -11.687 -10.625 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -21.585 -10.441 -10.156 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -23.093 -9.557 -7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -22.411 -8.418 -8.800 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -24.137 -8.331 -8.373 1.00 0.00 H new ATOM 199 N TYR A 17 -22.498 -7.237 -10.941 1.00 0.00 N ATOM 200 CA TYR A 17 -21.335 -6.426 -11.282 1.00 0.00 C ATOM 201 C TYR A 17 -20.235 -6.584 -10.237 1.00 0.00 C ATOM 202 O TYR A 17 -20.306 -6.006 -9.153 1.00 0.00 O ATOM 203 CB TYR A 17 -21.731 -4.954 -11.403 1.00 0.00 C ATOM 204 CG TYR A 17 -22.918 -4.719 -12.310 1.00 0.00 C ATOM 205 CD1 TYR A 17 -23.156 -5.543 -13.403 1.00 0.00 C ATOM 206 CD2 TYR A 17 -23.802 -3.673 -12.073 1.00 0.00 C ATOM 207 CE1 TYR A 17 -24.239 -5.331 -14.235 1.00 0.00 C ATOM 208 CE2 TYR A 17 -24.888 -3.455 -12.899 1.00 0.00 C ATOM 209 CZ TYR A 17 -25.102 -4.286 -13.978 1.00 0.00 C ATOM 210 OH TYR A 17 -26.182 -4.073 -14.803 1.00 0.00 O ATOM 0 H TYR A 17 -23.175 -6.771 -10.337 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.952 -6.772 -12.242 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -21.960 -4.565 -10.411 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -20.879 -4.387 -11.779 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -22.483 -6.363 -13.606 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -23.637 -3.020 -11.229 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -24.409 -5.980 -15.082 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -25.566 -2.638 -12.700 1.00 0.00 H new ATOM 0 HH TYR A 17 -26.690 -3.299 -14.483 1.00 0.00 H new ATOM 220 N GLN A 18 -19.218 -7.371 -10.573 1.00 0.00 N ATOM 221 CA GLN A 18 -18.102 -7.606 -9.664 1.00 0.00 C ATOM 222 C GLN A 18 -16.914 -6.718 -10.020 1.00 0.00 C ATOM 223 O GLN A 18 -16.700 -6.387 -11.187 1.00 0.00 O ATOM 224 CB GLN A 18 -17.684 -9.077 -9.705 1.00 0.00 C ATOM 225 CG GLN A 18 -18.358 -9.930 -8.642 1.00 0.00 C ATOM 226 CD GLN A 18 -18.543 -11.369 -9.080 1.00 0.00 C ATOM 227 OE1 GLN A 18 -19.656 -11.799 -9.386 1.00 0.00 O ATOM 228 NE2 GLN A 18 -17.451 -12.124 -9.114 1.00 0.00 N ATOM 0 H GLN A 18 -19.144 -7.856 -11.467 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.430 -7.357 -8.655 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.917 -9.485 -10.688 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.603 -9.143 -9.581 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -17.762 -9.906 -7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -19.330 -9.500 -8.399 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.548 -11.727 -8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.515 -13.100 -9.402 1.00 0.00 H new ATOM 237 N CYS A 19 -16.144 -6.334 -9.007 1.00 0.00 N ATOM 238 CA CYS A 19 -14.978 -5.483 -9.212 1.00 0.00 C ATOM 239 C CYS A 19 -13.829 -6.275 -9.830 1.00 0.00 C ATOM 240 O CYS A 19 -13.538 -7.395 -9.411 1.00 0.00 O ATOM 241 CB CYS A 19 -14.531 -4.866 -7.885 1.00 0.00 C ATOM 242 SG CYS A 19 -13.049 -3.815 -8.016 1.00 0.00 S ATOM 0 H CYS A 19 -16.307 -6.599 -8.036 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.258 -4.685 -9.900 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.350 -4.272 -7.479 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -14.334 -5.667 -7.172 1.00 0.00 H new ATOM 247 N ARG A 20 -13.181 -5.684 -10.828 1.00 0.00 N ATOM 248 CA ARG A 20 -12.064 -6.334 -11.505 1.00 0.00 C ATOM 249 C ARG A 20 -10.768 -6.140 -10.724 1.00 0.00 C ATOM 250 O ARG A 20 -9.674 -6.238 -11.281 1.00 0.00 O ATOM 251 CB ARG A 20 -11.906 -5.779 -12.922 1.00 0.00 C ATOM 252 CG ARG A 20 -13.027 -6.186 -13.864 1.00 0.00 C ATOM 253 CD ARG A 20 -12.946 -7.661 -14.222 1.00 0.00 C ATOM 254 NE ARG A 20 -12.170 -7.887 -15.439 1.00 0.00 N ATOM 255 CZ ARG A 20 -11.552 -9.030 -15.716 1.00 0.00 C ATOM 256 NH1 ARG A 20 -11.621 -10.046 -14.867 1.00 0.00 N ATOM 257 NH2 ARG A 20 -10.866 -9.159 -16.844 1.00 0.00 N ATOM 0 H ARG A 20 -13.410 -4.757 -11.186 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.278 -7.401 -11.562 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.860 -4.691 -12.874 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.956 -6.120 -13.333 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.990 -5.976 -13.398 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.976 -5.587 -14.773 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.493 -8.210 -13.396 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.953 -8.058 -14.355 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.099 -7.125 -16.113 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.149 -9.951 -14.000 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.146 -10.923 -15.081 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.812 -8.380 -17.500 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.392 -10.037 -17.055 1.00 0.00 H new ATOM 271 N LEU A 21 -10.898 -5.865 -9.431 1.00 0.00 N ATOM 272 CA LEU A 21 -9.737 -5.657 -8.572 1.00 0.00 C ATOM 273 C LEU A 21 -9.801 -6.557 -7.342 1.00 0.00 C ATOM 274 O LEU A 21 -8.811 -7.186 -6.968 1.00 0.00 O ATOM 275 CB LEU A 21 -9.653 -4.192 -8.141 1.00 0.00 C ATOM 276 CG LEU A 21 -9.820 -3.155 -9.253 1.00 0.00 C ATOM 277 CD1 LEU A 21 -9.939 -1.757 -8.665 1.00 0.00 C ATOM 278 CD2 LEU A 21 -8.655 -3.227 -10.229 1.00 0.00 C ATOM 0 H LEU A 21 -11.796 -5.781 -8.954 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.844 -5.914 -9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.418 -4.012 -7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.687 -4.030 -7.662 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.738 -3.378 -9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.057 -1.032 -9.471 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.806 -1.712 -8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.039 -1.524 -8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.791 -2.482 -11.013 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.723 -3.030 -9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.615 -4.221 -10.675 1.00 0.00 H new ATOM 290 N CYS A 22 -10.973 -6.616 -6.719 1.00 0.00 N ATOM 291 CA CYS A 22 -11.169 -7.441 -5.533 1.00 0.00 C ATOM 292 C CYS A 22 -12.299 -8.443 -5.747 1.00 0.00 C ATOM 293 O CYS A 22 -12.570 -9.281 -4.888 1.00 0.00 O ATOM 294 CB CYS A 22 -11.475 -6.561 -4.319 1.00 0.00 C ATOM 295 SG CYS A 22 -12.924 -5.478 -4.533 1.00 0.00 S ATOM 0 H CYS A 22 -11.802 -6.102 -7.016 1.00 0.00 H new ATOM 0 HA CYS A 22 -10.248 -7.994 -5.350 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -11.638 -7.201 -3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -10.603 -5.945 -4.101 1.00 0.00 H new ATOM 300 N ASN A 23 -12.955 -8.349 -6.899 1.00 0.00 N ATOM 301 CA ASN A 23 -14.056 -9.248 -7.226 1.00 0.00 C ATOM 302 C ASN A 23 -15.156 -9.168 -6.171 1.00 0.00 C ATOM 303 O ASN A 23 -15.634 -10.190 -5.680 1.00 0.00 O ATOM 304 CB ASN A 23 -13.551 -10.687 -7.344 1.00 0.00 C ATOM 305 CG ASN A 23 -12.366 -10.808 -8.283 1.00 0.00 C ATOM 306 OD1 ASN A 23 -11.233 -10.495 -7.914 1.00 0.00 O ATOM 307 ND2 ASN A 23 -12.622 -11.265 -9.503 1.00 0.00 N ATOM 0 H ASN A 23 -12.744 -7.660 -7.621 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.472 -8.937 -8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.268 -11.052 -6.357 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.360 -11.325 -7.700 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.864 -11.369 -10.178 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.576 -11.512 -9.765 1.00 0.00 H new ATOM 314 N ALA A 24 -15.551 -7.946 -5.828 1.00 0.00 N ATOM 315 CA ALA A 24 -16.595 -7.733 -4.834 1.00 0.00 C ATOM 316 C ALA A 24 -17.903 -7.308 -5.494 1.00 0.00 C ATOM 317 O ALA A 24 -17.982 -6.249 -6.116 1.00 0.00 O ATOM 318 CB ALA A 24 -16.152 -6.690 -3.819 1.00 0.00 C ATOM 0 H ALA A 24 -15.164 -7.089 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.768 -8.677 -4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.941 -6.541 -3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.247 -7.032 -3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.949 -5.748 -4.330 1.00 0.00 H new ATOM 324 N LYS A 25 -18.928 -8.142 -5.355 1.00 0.00 N ATOM 325 CA LYS A 25 -20.234 -7.854 -5.937 1.00 0.00 C ATOM 326 C LYS A 25 -20.697 -6.449 -5.566 1.00 0.00 C ATOM 327 O LYS A 25 -20.717 -6.081 -4.390 1.00 0.00 O ATOM 328 CB LYS A 25 -21.264 -8.883 -5.465 1.00 0.00 C ATOM 329 CG LYS A 25 -21.035 -10.275 -6.028 1.00 0.00 C ATOM 330 CD LYS A 25 -22.284 -11.134 -5.918 1.00 0.00 C ATOM 331 CE LYS A 25 -22.390 -11.790 -4.550 1.00 0.00 C ATOM 332 NZ LYS A 25 -23.679 -12.518 -4.383 1.00 0.00 N ATOM 0 H LYS A 25 -18.880 -9.023 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.141 -7.913 -7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.243 -8.933 -4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -22.260 -8.544 -5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.734 -10.201 -7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.215 -10.754 -5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.166 -10.520 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.268 -11.902 -6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.561 -12.484 -4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.299 -11.030 -3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -23.713 -12.951 -3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -24.470 -11.851 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.755 -13.261 -5.107 1.00 0.00 H new ATOM 346 N LEU A 26 -21.069 -5.668 -6.574 1.00 0.00 N ATOM 347 CA LEU A 26 -21.534 -4.303 -6.353 1.00 0.00 C ATOM 348 C LEU A 26 -23.053 -4.259 -6.225 1.00 0.00 C ATOM 349 O LEU A 26 -23.716 -5.297 -6.218 1.00 0.00 O ATOM 350 CB LEU A 26 -21.081 -3.398 -7.500 1.00 0.00 C ATOM 351 CG LEU A 26 -19.703 -2.754 -7.343 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.520 -2.222 -5.930 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.606 -3.752 -7.685 1.00 0.00 C ATOM 0 H LEU A 26 -21.058 -5.956 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 26 -21.099 -3.943 -5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -21.084 -3.982 -8.420 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -21.819 -2.605 -7.624 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.634 -1.916 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.534 -1.767 -5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.285 -1.475 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.610 -3.042 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.632 -3.277 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -18.674 -4.610 -7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.725 -4.085 -8.716 1.00 0.00 H new ATOM 365 N SER A 27 -23.599 -3.051 -6.125 1.00 0.00 N ATOM 366 CA SER A 27 -25.040 -2.872 -5.995 1.00 0.00 C ATOM 367 C SER A 27 -25.637 -2.321 -7.287 1.00 0.00 C ATOM 368 O SER A 27 -26.849 -2.380 -7.498 1.00 0.00 O ATOM 369 CB SER A 27 -25.356 -1.930 -4.832 1.00 0.00 C ATOM 370 OG SER A 27 -26.750 -1.707 -4.720 1.00 0.00 O ATOM 0 H SER A 27 -23.065 -2.182 -6.132 1.00 0.00 H new ATOM 0 HA SER A 27 -25.486 -3.846 -5.795 1.00 0.00 H new ATOM 0 HB2 SER A 27 -24.977 -2.355 -3.903 1.00 0.00 H new ATOM 0 HB3 SER A 27 -24.843 -0.980 -4.980 1.00 0.00 H new ATOM 0 HG SER A 27 -26.925 -1.103 -3.968 1.00 0.00 H new ATOM 376 N SER A 28 -24.778 -1.785 -8.147 1.00 0.00 N ATOM 377 CA SER A 28 -25.219 -1.220 -9.417 1.00 0.00 C ATOM 378 C SER A 28 -24.027 -0.902 -10.314 1.00 0.00 C ATOM 379 O SER A 28 -22.898 -0.767 -9.841 1.00 0.00 O ATOM 380 CB SER A 28 -26.043 0.047 -9.176 1.00 0.00 C ATOM 381 OG SER A 28 -27.405 -0.266 -8.943 1.00 0.00 O ATOM 0 H SER A 28 -23.772 -1.730 -7.988 1.00 0.00 H new ATOM 0 HA SER A 28 -25.841 -1.960 -9.919 1.00 0.00 H new ATOM 0 HB2 SER A 28 -25.640 0.589 -8.321 1.00 0.00 H new ATOM 0 HB3 SER A 28 -25.961 0.707 -10.039 1.00 0.00 H new ATOM 0 HG SER A 28 -27.477 -1.183 -8.604 1.00 0.00 H new ATOM 387 N LEU A 29 -24.286 -0.784 -11.611 1.00 0.00 N ATOM 388 CA LEU A 29 -23.235 -0.482 -12.577 1.00 0.00 C ATOM 389 C LEU A 29 -22.380 0.688 -12.103 1.00 0.00 C ATOM 390 O LEU A 29 -21.151 0.636 -12.160 1.00 0.00 O ATOM 391 CB LEU A 29 -23.847 -0.162 -13.942 1.00 0.00 C ATOM 392 CG LEU A 29 -22.986 -0.501 -15.160 1.00 0.00 C ATOM 393 CD1 LEU A 29 -22.905 -2.007 -15.354 1.00 0.00 C ATOM 394 CD2 LEU A 29 -23.539 0.171 -16.408 1.00 0.00 C ATOM 0 H LEU A 29 -25.215 -0.893 -12.019 1.00 0.00 H new ATOM 0 HA LEU A 29 -22.596 -1.360 -12.669 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -24.792 -0.699 -14.029 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -24.081 0.902 -13.972 1.00 0.00 H new ATOM 0 HG LEU A 29 -21.979 -0.124 -14.985 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -22.288 -2.229 -16.225 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -22.462 -2.464 -14.470 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -23.907 -2.409 -15.507 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -22.914 -0.081 -17.264 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -24.557 -0.175 -16.587 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -23.543 1.252 -16.268 1.00 0.00 H new ATOM 406 N LEU A 30 -23.038 1.743 -11.634 1.00 0.00 N ATOM 407 CA LEU A 30 -22.338 2.927 -11.147 1.00 0.00 C ATOM 408 C LEU A 30 -21.321 2.554 -10.073 1.00 0.00 C ATOM 409 O LEU A 30 -20.125 2.801 -10.225 1.00 0.00 O ATOM 410 CB LEU A 30 -23.337 3.941 -10.589 1.00 0.00 C ATOM 411 CG LEU A 30 -22.921 5.410 -10.676 1.00 0.00 C ATOM 412 CD1 LEU A 30 -23.097 5.932 -12.093 1.00 0.00 C ATOM 413 CD2 LEU A 30 -23.724 6.250 -9.693 1.00 0.00 C ATOM 0 H LEU A 30 -24.055 1.803 -11.581 1.00 0.00 H new ATOM 0 HA LEU A 30 -21.806 3.375 -11.986 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -24.282 3.820 -11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -23.525 3.698 -9.543 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.866 5.485 -10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.796 6.979 -12.135 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -22.478 5.349 -12.775 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -24.143 5.843 -12.386 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.415 7.293 -9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.785 6.168 -9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.547 5.892 -8.679 1.00 0.00 H new ATOM 425 N GLU A 31 -21.805 1.957 -8.988 1.00 0.00 N ATOM 426 CA GLU A 31 -20.937 1.550 -7.889 1.00 0.00 C ATOM 427 C GLU A 31 -19.687 0.850 -8.414 1.00 0.00 C ATOM 428 O GLU A 31 -18.628 0.898 -7.788 1.00 0.00 O ATOM 429 CB GLU A 31 -21.690 0.623 -6.932 1.00 0.00 C ATOM 430 CG GLU A 31 -21.325 0.830 -5.472 1.00 0.00 C ATOM 431 CD GLU A 31 -22.094 1.972 -4.835 1.00 0.00 C ATOM 432 OE1 GLU A 31 -22.104 3.076 -5.417 1.00 0.00 O ATOM 433 OE2 GLU A 31 -22.684 1.761 -3.755 1.00 0.00 O ATOM 0 H GLU A 31 -22.793 1.745 -8.847 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.631 2.447 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.762 0.780 -7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.485 -0.412 -7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -21.521 -0.088 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.256 1.028 -5.393 1.00 0.00 H new ATOM 440 N GLN A 32 -19.819 0.201 -9.567 1.00 0.00 N ATOM 441 CA GLN A 32 -18.700 -0.509 -10.175 1.00 0.00 C ATOM 442 C GLN A 32 -17.690 0.469 -10.765 1.00 0.00 C ATOM 443 O GLN A 32 -16.507 0.435 -10.428 1.00 0.00 O ATOM 444 CB GLN A 32 -19.203 -1.459 -11.263 1.00 0.00 C ATOM 445 CG GLN A 32 -18.221 -2.568 -11.605 1.00 0.00 C ATOM 446 CD GLN A 32 -18.625 -3.345 -12.842 1.00 0.00 C ATOM 447 OE1 GLN A 32 -19.601 -3.006 -13.511 1.00 0.00 O ATOM 448 NE2 GLN A 32 -17.873 -4.394 -13.155 1.00 0.00 N ATOM 0 H GLN A 32 -20.689 0.152 -10.098 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.204 -1.089 -9.396 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.143 -1.905 -10.938 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.418 -0.885 -12.164 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.232 -2.137 -11.758 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -18.143 -3.252 -10.760 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.073 -4.640 -12.572 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -18.096 -4.954 -13.978 1.00 0.00 H new ATOM 457 N GLY A 33 -18.165 1.342 -11.649 1.00 0.00 N ATOM 458 CA GLY A 33 -17.289 2.318 -12.272 1.00 0.00 C ATOM 459 C GLY A 33 -16.654 3.254 -11.263 1.00 0.00 C ATOM 460 O GLY A 33 -15.636 3.884 -11.547 1.00 0.00 O ATOM 0 H GLY A 33 -19.140 1.391 -11.945 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.506 1.799 -12.824 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.857 2.901 -12.997 1.00 0.00 H new ATOM 464 N SER A 34 -17.257 3.347 -10.082 1.00 0.00 N ATOM 465 CA SER A 34 -16.747 4.218 -9.030 1.00 0.00 C ATOM 466 C SER A 34 -15.841 3.444 -8.076 1.00 0.00 C ATOM 467 O SER A 34 -14.679 3.801 -7.879 1.00 0.00 O ATOM 468 CB SER A 34 -17.905 4.847 -8.254 1.00 0.00 C ATOM 469 OG SER A 34 -18.637 3.864 -7.543 1.00 0.00 O ATOM 0 H SER A 34 -18.099 2.830 -9.830 1.00 0.00 H new ATOM 0 HA SER A 34 -16.161 5.009 -9.499 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.518 5.591 -7.558 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.567 5.370 -8.944 1.00 0.00 H new ATOM 0 HG SER A 34 -19.371 4.292 -7.054 1.00 0.00 H new ATOM 475 N HIS A 35 -16.382 2.383 -7.487 1.00 0.00 N ATOM 476 CA HIS A 35 -15.624 1.557 -6.553 1.00 0.00 C ATOM 477 C HIS A 35 -14.297 1.121 -7.168 1.00 0.00 C ATOM 478 O HIS A 35 -13.341 0.822 -6.454 1.00 0.00 O ATOM 479 CB HIS A 35 -16.439 0.329 -6.147 1.00 0.00 C ATOM 480 CG HIS A 35 -15.644 -0.698 -5.403 1.00 0.00 C ATOM 481 ND1 HIS A 35 -15.715 -0.861 -4.036 1.00 0.00 N ATOM 482 CD2 HIS A 35 -14.757 -1.621 -5.844 1.00 0.00 C ATOM 483 CE1 HIS A 35 -14.906 -1.838 -3.668 1.00 0.00 C ATOM 484 NE2 HIS A 35 -14.313 -2.316 -4.747 1.00 0.00 N ATOM 0 H HIS A 35 -17.342 2.074 -7.639 1.00 0.00 H new ATOM 0 HA HIS A 35 -15.415 2.154 -5.665 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -17.276 0.648 -5.526 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -16.861 -0.129 -7.042 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -16.301 -0.312 -3.407 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.455 -1.781 -6.869 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.755 -2.187 -2.657 1.00 0.00 H new ATOM 492 N GLU A 36 -14.248 1.088 -8.496 1.00 0.00 N ATOM 493 CA GLU A 36 -13.039 0.687 -9.205 1.00 0.00 C ATOM 494 C GLU A 36 -12.098 1.874 -9.391 1.00 0.00 C ATOM 495 O GLU A 36 -10.895 1.701 -9.589 1.00 0.00 O ATOM 496 CB GLU A 36 -13.395 0.087 -10.567 1.00 0.00 C ATOM 497 CG GLU A 36 -13.779 -1.382 -10.503 1.00 0.00 C ATOM 498 CD GLU A 36 -13.847 -2.028 -11.874 1.00 0.00 C ATOM 499 OE1 GLU A 36 -12.845 -1.950 -12.615 1.00 0.00 O ATOM 500 OE2 GLU A 36 -14.901 -2.609 -12.205 1.00 0.00 O ATOM 0 H GLU A 36 -15.031 1.334 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.530 -0.068 -8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.222 0.652 -10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.545 0.203 -11.239 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.054 -1.917 -9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.747 -1.480 -10.011 1.00 0.00 H new ATOM 507 N ARG A 37 -12.655 3.079 -9.325 1.00 0.00 N ATOM 508 CA ARG A 37 -11.867 4.294 -9.488 1.00 0.00 C ATOM 509 C ARG A 37 -10.998 4.547 -8.259 1.00 0.00 C ATOM 510 O ARG A 37 -9.922 5.139 -8.357 1.00 0.00 O ATOM 511 CB ARG A 37 -12.784 5.494 -9.732 1.00 0.00 C ATOM 512 CG ARG A 37 -13.188 5.665 -11.188 1.00 0.00 C ATOM 513 CD ARG A 37 -14.382 6.595 -11.329 1.00 0.00 C ATOM 514 NE ARG A 37 -15.153 6.318 -12.538 1.00 0.00 N ATOM 515 CZ ARG A 37 -16.412 6.703 -12.712 1.00 0.00 C ATOM 516 NH1 ARG A 37 -17.040 7.378 -11.759 1.00 0.00 N ATOM 517 NH2 ARG A 37 -17.046 6.412 -13.841 1.00 0.00 N ATOM 0 H ARG A 37 -13.649 3.239 -9.160 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.216 4.161 -10.352 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.682 5.383 -9.125 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.281 6.400 -9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.347 6.062 -11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.430 4.692 -11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.027 6.491 -10.456 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.036 7.628 -11.349 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.699 5.800 -13.291 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.556 7.603 -10.890 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.007 7.673 -11.895 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.566 5.892 -14.576 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.013 6.708 -13.974 1.00 0.00 H new ATOM 531 N LEU A 38 -11.471 4.096 -7.103 1.00 0.00 N ATOM 532 CA LEU A 38 -10.739 4.273 -5.854 1.00 0.00 C ATOM 533 C LEU A 38 -10.069 2.971 -5.426 1.00 0.00 C ATOM 534 O LEU A 38 -8.992 2.981 -4.829 1.00 0.00 O ATOM 535 CB LEU A 38 -11.680 4.762 -4.752 1.00 0.00 C ATOM 536 CG LEU A 38 -13.126 4.270 -4.838 1.00 0.00 C ATOM 537 CD1 LEU A 38 -13.737 4.165 -3.449 1.00 0.00 C ATOM 538 CD2 LEU A 38 -13.953 5.196 -5.718 1.00 0.00 C ATOM 0 H LEU A 38 -12.359 3.604 -7.004 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.964 5.022 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.270 4.457 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.687 5.852 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.126 3.278 -5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.766 3.814 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.159 3.462 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.725 5.145 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.979 4.831 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.946 6.201 -5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.528 5.221 -6.721 1.00 0.00 H new ATOM 550 N CYS A 39 -10.713 1.851 -5.737 1.00 0.00 N ATOM 551 CA CYS A 39 -10.180 0.540 -5.387 1.00 0.00 C ATOM 552 C CYS A 39 -8.931 0.224 -6.204 1.00 0.00 C ATOM 553 O CYS A 39 -8.249 -0.770 -5.956 1.00 0.00 O ATOM 554 CB CYS A 39 -11.238 -0.542 -5.614 1.00 0.00 C ATOM 555 SG CYS A 39 -10.681 -2.226 -5.199 1.00 0.00 S ATOM 0 H CYS A 39 -11.605 1.825 -6.231 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.908 0.557 -4.332 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.119 -0.305 -5.017 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.546 -0.520 -6.659 1.00 0.00 H new ATOM 560 N ARG A 40 -8.637 1.078 -7.180 1.00 0.00 N ATOM 561 CA ARG A 40 -7.471 0.890 -8.035 1.00 0.00 C ATOM 562 C ARG A 40 -6.319 1.784 -7.586 1.00 0.00 C ATOM 563 O ARG A 40 -5.163 1.544 -7.932 1.00 0.00 O ATOM 564 CB ARG A 40 -7.827 1.190 -9.492 1.00 0.00 C ATOM 565 CG ARG A 40 -7.884 2.675 -9.811 1.00 0.00 C ATOM 566 CD ARG A 40 -7.721 2.931 -11.302 1.00 0.00 C ATOM 567 NE ARG A 40 -7.959 4.330 -11.646 1.00 0.00 N ATOM 568 CZ ARG A 40 -7.042 5.284 -11.522 1.00 0.00 C ATOM 569 NH1 ARG A 40 -5.833 4.990 -11.064 1.00 0.00 N ATOM 570 NH2 ARG A 40 -7.335 6.534 -11.856 1.00 0.00 N ATOM 0 H ARG A 40 -9.190 1.907 -7.398 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.154 -0.150 -7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.092 0.715 -10.142 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.793 0.740 -9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.835 3.085 -9.472 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.099 3.196 -9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.715 2.648 -11.611 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.414 2.298 -11.856 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.879 4.589 -12.001 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.605 4.030 -10.806 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.131 5.724 -10.970 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.264 6.763 -12.208 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.631 7.266 -11.761 1.00 0.00 H new ATOM 584 N ASN A 41 -6.643 2.817 -6.815 1.00 0.00 N ATOM 585 CA ASN A 41 -5.636 3.748 -6.320 1.00 0.00 C ATOM 586 C ASN A 41 -5.808 3.991 -4.824 1.00 0.00 C ATOM 587 O ASN A 41 -5.202 4.901 -4.259 1.00 0.00 O ATOM 588 CB ASN A 41 -5.722 5.075 -7.077 1.00 0.00 C ATOM 589 CG ASN A 41 -6.680 6.052 -6.423 1.00 0.00 C ATOM 590 OD1 ASN A 41 -6.305 6.788 -5.510 1.00 0.00 O ATOM 591 ND2 ASN A 41 -7.923 6.064 -6.889 1.00 0.00 N ATOM 0 H ASN A 41 -7.596 3.030 -6.519 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.654 3.305 -6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.730 5.524 -7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.043 4.886 -8.101 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.612 6.701 -6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.189 5.436 -7.647 1.00 0.00 H new ATOM 598 N ALA A 42 -6.637 3.170 -4.188 1.00 0.00 N ATOM 599 CA ALA A 42 -6.886 3.294 -2.757 1.00 0.00 C ATOM 600 C ALA A 42 -5.579 3.320 -1.972 1.00 0.00 C ATOM 601 O ALA A 42 -5.266 4.304 -1.303 1.00 0.00 O ATOM 602 CB ALA A 42 -7.771 2.153 -2.275 1.00 0.00 C ATOM 0 H ALA A 42 -7.148 2.412 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.402 4.238 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.949 2.258 -1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.723 2.182 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.276 1.202 -2.469 1.00 0.00 H new ATOM 608 N ALA A 43 -4.820 2.232 -2.059 1.00 0.00 N ATOM 609 CA ALA A 43 -3.547 2.132 -1.358 1.00 0.00 C ATOM 610 C ALA A 43 -2.405 1.854 -2.330 1.00 0.00 C ATOM 611 O ALA A 43 -2.204 0.717 -2.758 1.00 0.00 O ATOM 612 CB ALA A 43 -3.614 1.046 -0.295 1.00 0.00 C ATOM 0 H ALA A 43 -5.065 1.408 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.351 3.088 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.656 0.982 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.398 1.288 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.837 0.089 -0.766 1.00 0.00 H new ATOM 618 N VAL A 44 -1.660 2.899 -2.676 1.00 0.00 N ATOM 619 CA VAL A 44 -0.539 2.767 -3.597 1.00 0.00 C ATOM 620 C VAL A 44 0.791 2.953 -2.875 1.00 0.00 C ATOM 621 O VAL A 44 1.130 4.058 -2.451 1.00 0.00 O ATOM 622 CB VAL A 44 -0.633 3.787 -4.747 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.572 3.669 -5.667 1.00 0.00 C ATOM 624 CG2 VAL A 44 -1.928 3.597 -5.523 1.00 0.00 C ATOM 0 H VAL A 44 -1.813 3.847 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.587 1.760 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.636 4.790 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.487 4.398 -6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.483 3.860 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.611 2.665 -6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.978 4.326 -6.332 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.958 2.590 -5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.777 3.738 -4.854 1.00 0.00 H new ATOM 634 N CYS A 45 1.542 1.865 -2.739 1.00 0.00 N ATOM 635 CA CYS A 45 2.835 1.907 -2.068 1.00 0.00 C ATOM 636 C CYS A 45 3.811 2.805 -2.823 1.00 0.00 C ATOM 637 O CYS A 45 4.229 2.508 -3.942 1.00 0.00 O ATOM 638 CB CYS A 45 3.415 0.497 -1.944 1.00 0.00 C ATOM 639 SG CYS A 45 4.801 0.363 -0.770 1.00 0.00 S ATOM 0 H CYS A 45 1.277 0.943 -3.085 1.00 0.00 H new ATOM 0 HA CYS A 45 2.685 2.320 -1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.623 -0.184 -1.633 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.752 0.167 -2.927 1.00 0.00 H new ATOM 644 N PRO A 46 4.183 3.932 -2.197 1.00 0.00 N ATOM 645 CA PRO A 46 5.114 4.897 -2.790 1.00 0.00 C ATOM 646 C PRO A 46 6.537 4.355 -2.871 1.00 0.00 C ATOM 647 O PRO A 46 7.462 5.069 -3.257 1.00 0.00 O ATOM 648 CB PRO A 46 5.048 6.088 -1.832 1.00 0.00 C ATOM 649 CG PRO A 46 4.631 5.502 -0.527 1.00 0.00 C ATOM 650 CD PRO A 46 3.724 4.350 -0.862 1.00 0.00 C ATOM 0 HA PRO A 46 4.846 5.144 -3.817 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.015 6.586 -1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.333 6.835 -2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.496 5.164 0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.114 6.241 0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.814 3.543 -0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.677 4.653 -0.874 1.00 0.00 H new ATOM 658 N TYR A 47 6.704 3.089 -2.504 1.00 0.00 N ATOM 659 CA TYR A 47 8.016 2.453 -2.533 1.00 0.00 C ATOM 660 C TYR A 47 8.148 1.532 -3.742 1.00 0.00 C ATOM 661 O TYR A 47 9.076 1.664 -4.540 1.00 0.00 O ATOM 662 CB TYR A 47 8.249 1.659 -1.246 1.00 0.00 C ATOM 663 CG TYR A 47 7.994 2.458 0.013 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.350 3.799 0.092 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.397 1.872 1.122 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.119 4.532 1.240 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.161 2.598 2.273 1.00 0.00 C ATOM 668 CZ TYR A 47 7.524 3.927 2.327 1.00 0.00 C ATOM 669 OH TYR A 47 7.292 4.654 3.473 1.00 0.00 O ATOM 0 H TYR A 47 5.948 2.484 -2.183 1.00 0.00 H new ATOM 0 HA TYR A 47 8.770 3.236 -2.611 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.601 0.782 -1.247 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.277 1.296 -1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.815 4.276 -0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.113 0.831 1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.403 5.573 1.286 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.695 2.127 3.126 1.00 0.00 H new ATOM 0 HH TYR A 47 6.866 4.080 4.144 1.00 0.00 H new ATOM 679 N CYS A 48 7.211 0.598 -3.872 1.00 0.00 N ATOM 680 CA CYS A 48 7.220 -0.346 -4.982 1.00 0.00 C ATOM 681 C CYS A 48 6.116 -0.018 -5.984 1.00 0.00 C ATOM 682 O CYS A 48 6.097 -0.543 -7.097 1.00 0.00 O ATOM 683 CB CYS A 48 7.046 -1.775 -4.466 1.00 0.00 C ATOM 684 SG CYS A 48 5.446 -2.082 -3.650 1.00 0.00 S ATOM 0 H CYS A 48 6.435 0.475 -3.221 1.00 0.00 H new ATOM 0 HA CYS A 48 8.182 -0.264 -5.487 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.154 -2.467 -5.301 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.849 -1.996 -3.763 1.00 0.00 H new ATOM 689 N SER A 49 5.199 0.855 -5.580 1.00 0.00 N ATOM 690 CA SER A 49 4.090 1.251 -6.440 1.00 0.00 C ATOM 691 C SER A 49 3.077 0.118 -6.578 1.00 0.00 C ATOM 692 O SER A 49 2.743 -0.300 -7.687 1.00 0.00 O ATOM 693 CB SER A 49 4.608 1.658 -7.821 1.00 0.00 C ATOM 694 OG SER A 49 3.609 2.339 -8.560 1.00 0.00 O ATOM 0 H SER A 49 5.202 1.301 -4.663 1.00 0.00 H new ATOM 0 HA SER A 49 3.593 2.105 -5.980 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.483 2.298 -7.710 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.929 0.772 -8.368 1.00 0.00 H new ATOM 0 HG SER A 49 2.850 1.739 -8.714 1.00 0.00 H new ATOM 700 N LEU A 50 2.593 -0.375 -5.443 1.00 0.00 N ATOM 701 CA LEU A 50 1.618 -1.460 -5.435 1.00 0.00 C ATOM 702 C LEU A 50 0.195 -0.914 -5.498 1.00 0.00 C ATOM 703 O LEU A 50 -0.012 0.296 -5.592 1.00 0.00 O ATOM 704 CB LEU A 50 1.792 -2.319 -4.181 1.00 0.00 C ATOM 705 CG LEU A 50 2.683 -3.553 -4.331 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.179 -4.021 -2.972 1.00 0.00 C ATOM 707 CD2 LEU A 50 1.931 -4.670 -5.040 1.00 0.00 C ATOM 0 H LEU A 50 2.860 -0.041 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 50 1.790 -2.077 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.204 -1.692 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.806 -2.645 -3.849 1.00 0.00 H new ATOM 0 HG LEU A 50 3.548 -3.282 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.811 -4.900 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.755 -3.224 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.327 -4.275 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.580 -5.540 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.048 -4.939 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.626 -4.332 -6.030 1.00 0.00 H new ATOM 719 N ARG A 51 -0.781 -1.814 -5.444 1.00 0.00 N ATOM 720 CA ARG A 51 -2.185 -1.423 -5.493 1.00 0.00 C ATOM 721 C ARG A 51 -3.049 -2.395 -4.696 1.00 0.00 C ATOM 722 O ARG A 51 -3.311 -3.514 -5.136 1.00 0.00 O ATOM 723 CB ARG A 51 -2.669 -1.365 -6.943 1.00 0.00 C ATOM 724 CG ARG A 51 -1.995 -0.280 -7.768 1.00 0.00 C ATOM 725 CD ARG A 51 -2.309 -0.430 -9.248 1.00 0.00 C ATOM 726 NE ARG A 51 -1.655 -1.598 -9.831 1.00 0.00 N ATOM 727 CZ ARG A 51 -1.404 -1.728 -11.129 1.00 0.00 C ATOM 728 NH1 ARG A 51 -1.751 -0.767 -11.975 1.00 0.00 N ATOM 729 NH2 ARG A 51 -0.805 -2.821 -11.584 1.00 0.00 N ATOM 0 H ARG A 51 -0.626 -2.819 -5.366 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.276 -0.433 -5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.492 -2.331 -7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.746 -1.199 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.325 0.700 -7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.916 -0.324 -7.617 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.387 -0.513 -9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.990 0.467 -9.779 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.376 -2.355 -9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.212 0.075 -11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.557 -0.870 -12.971 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.537 -3.562 -10.937 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.613 -2.920 -12.581 1.00 0.00 H new ATOM 743 N PHE A 52 -3.488 -1.960 -3.519 1.00 0.00 N ATOM 744 CA PHE A 52 -4.321 -2.791 -2.659 1.00 0.00 C ATOM 745 C PHE A 52 -5.772 -2.319 -2.685 1.00 0.00 C ATOM 746 O PHE A 52 -6.119 -1.382 -3.405 1.00 0.00 O ATOM 747 CB PHE A 52 -3.792 -2.768 -1.223 1.00 0.00 C ATOM 748 CG PHE A 52 -2.380 -3.265 -1.097 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.310 -2.402 -1.269 1.00 0.00 C ATOM 750 CD2 PHE A 52 -2.123 -4.595 -0.806 1.00 0.00 C ATOM 751 CE1 PHE A 52 -0.010 -2.857 -1.155 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.825 -5.056 -0.690 1.00 0.00 C ATOM 753 CZ PHE A 52 0.233 -4.185 -0.864 1.00 0.00 C ATOM 0 H PHE A 52 -3.280 -1.036 -3.140 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.283 -3.813 -3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.846 -1.749 -0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.441 -3.378 -0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.494 -1.362 -1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.947 -5.280 -0.668 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.815 -2.174 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.638 -6.095 -0.464 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.248 -4.542 -0.773 1.00 0.00 H new ATOM 763 N PHE A 53 -6.616 -2.975 -1.896 1.00 0.00 N ATOM 764 CA PHE A 53 -8.030 -2.624 -1.829 1.00 0.00 C ATOM 765 C PHE A 53 -8.271 -1.531 -0.792 1.00 0.00 C ATOM 766 O PHE A 53 -9.044 -0.601 -1.023 1.00 0.00 O ATOM 767 CB PHE A 53 -8.868 -3.858 -1.489 1.00 0.00 C ATOM 768 CG PHE A 53 -10.128 -3.539 -0.737 1.00 0.00 C ATOM 769 CD1 PHE A 53 -10.934 -2.482 -1.127 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.506 -4.296 0.361 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.094 -2.185 -0.437 1.00 0.00 C ATOM 772 CE2 PHE A 53 -11.665 -4.004 1.054 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.460 -2.947 0.656 1.00 0.00 C ATOM 0 H PHE A 53 -6.346 -3.753 -1.294 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.331 -2.246 -2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.127 -4.377 -2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.264 -4.545 -0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.653 -1.883 -1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.888 -5.123 0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.714 -1.358 -0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.949 -4.602 1.907 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.365 -2.717 1.198 1.00 0.00 H new ATOM 783 N SER A 54 -7.603 -1.650 0.351 1.00 0.00 N ATOM 784 CA SER A 54 -7.747 -0.675 1.425 1.00 0.00 C ATOM 785 C SER A 54 -6.408 -0.016 1.743 1.00 0.00 C ATOM 786 O SER A 54 -5.338 -0.563 1.475 1.00 0.00 O ATOM 787 CB SER A 54 -8.308 -1.347 2.680 1.00 0.00 C ATOM 788 OG SER A 54 -9.724 -1.300 2.694 1.00 0.00 O ATOM 0 H SER A 54 -6.957 -2.412 0.557 1.00 0.00 H new ATOM 0 HA SER A 54 -8.442 0.096 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.975 -2.384 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.916 -0.851 3.568 1.00 0.00 H new ATOM 0 HG SER A 54 -10.058 -1.737 3.505 1.00 0.00 H new ATOM 794 N PRO A 55 -6.468 1.189 2.329 1.00 0.00 N ATOM 795 CA PRO A 55 -5.270 1.951 2.697 1.00 0.00 C ATOM 796 C PRO A 55 -4.513 1.315 3.858 1.00 0.00 C ATOM 797 O PRO A 55 -3.485 1.829 4.296 1.00 0.00 O ATOM 798 CB PRO A 55 -5.830 3.315 3.107 1.00 0.00 C ATOM 799 CG PRO A 55 -7.229 3.038 3.538 1.00 0.00 C ATOM 800 CD PRO A 55 -7.709 1.901 2.678 1.00 0.00 C ATOM 0 HA PRO A 55 -4.550 1.999 1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.247 3.755 3.916 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.804 4.019 2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.267 2.771 4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.859 3.918 3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.404 1.256 3.216 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.229 2.261 1.790 1.00 0.00 H new ATOM 808 N GLU A 56 -5.030 0.194 4.352 1.00 0.00 N ATOM 809 CA GLU A 56 -4.401 -0.511 5.463 1.00 0.00 C ATOM 810 C GLU A 56 -3.475 -1.612 4.955 1.00 0.00 C ATOM 811 O GLU A 56 -2.419 -1.868 5.535 1.00 0.00 O ATOM 812 CB GLU A 56 -5.466 -1.110 6.384 1.00 0.00 C ATOM 813 CG GLU A 56 -5.934 -0.160 7.473 1.00 0.00 C ATOM 814 CD GLU A 56 -7.064 -0.736 8.304 1.00 0.00 C ATOM 815 OE1 GLU A 56 -7.922 -1.440 7.731 1.00 0.00 O ATOM 816 OE2 GLU A 56 -7.092 -0.482 9.526 1.00 0.00 O ATOM 0 H GLU A 56 -5.881 -0.245 4.001 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.806 0.208 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.324 -1.412 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.067 -2.012 6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.095 0.081 8.125 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.262 0.775 7.018 1.00 0.00 H new ATOM 823 N LEU A 57 -3.878 -2.261 3.868 1.00 0.00 N ATOM 824 CA LEU A 57 -3.085 -3.335 3.280 1.00 0.00 C ATOM 825 C LEU A 57 -1.696 -2.838 2.892 1.00 0.00 C ATOM 826 O LEU A 57 -0.721 -3.588 2.935 1.00 0.00 O ATOM 827 CB LEU A 57 -3.796 -3.907 2.052 1.00 0.00 C ATOM 828 CG LEU A 57 -4.806 -5.023 2.321 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.750 -5.184 1.140 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.088 -6.333 2.614 1.00 0.00 C ATOM 0 H LEU A 57 -4.749 -2.062 3.376 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.973 -4.121 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.312 -3.092 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.041 -4.286 1.363 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.395 -4.751 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.462 -5.983 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.289 -4.251 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.177 -5.434 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.822 -7.116 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.474 -6.611 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.453 -6.212 3.492 1.00 0.00 H new ATOM 842 N LYS A 58 -1.613 -1.566 2.516 1.00 0.00 N ATOM 843 CA LYS A 58 -0.344 -0.966 2.123 1.00 0.00 C ATOM 844 C LYS A 58 0.531 -0.696 3.344 1.00 0.00 C ATOM 845 O LYS A 58 1.755 -0.806 3.277 1.00 0.00 O ATOM 846 CB LYS A 58 -0.587 0.338 1.359 1.00 0.00 C ATOM 847 CG LYS A 58 -0.939 1.512 2.256 1.00 0.00 C ATOM 848 CD LYS A 58 0.305 2.173 2.824 1.00 0.00 C ATOM 849 CE LYS A 58 0.673 3.428 2.047 1.00 0.00 C ATOM 850 NZ LYS A 58 1.614 3.135 0.931 1.00 0.00 N ATOM 0 H LYS A 58 -2.410 -0.931 2.475 1.00 0.00 H new ATOM 0 HA LYS A 58 0.176 -1.670 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.306 0.585 0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.394 0.184 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.514 2.244 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.575 1.169 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.137 2.428 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.137 1.469 2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.232 3.886 1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.126 4.153 2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.558 3.502 1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.669 2.107 0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.273 3.591 0.061 1.00 0.00 H new ATOM 864 N GLN A 59 -0.105 -0.344 4.456 1.00 0.00 N ATOM 865 CA GLN A 59 0.616 -0.060 5.691 1.00 0.00 C ATOM 866 C GLN A 59 1.333 -1.306 6.201 1.00 0.00 C ATOM 867 O GLN A 59 2.525 -1.266 6.506 1.00 0.00 O ATOM 868 CB GLN A 59 -0.345 0.463 6.759 1.00 0.00 C ATOM 869 CG GLN A 59 -0.993 1.790 6.398 1.00 0.00 C ATOM 870 CD GLN A 59 -1.450 2.568 7.616 1.00 0.00 C ATOM 871 OE1 GLN A 59 -0.945 2.366 8.721 1.00 0.00 O ATOM 872 NE2 GLN A 59 -2.411 3.463 7.421 1.00 0.00 N ATOM 0 H GLN A 59 -1.118 -0.249 4.527 1.00 0.00 H new ATOM 0 HA GLN A 59 1.362 0.705 5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.126 -0.279 6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.196 0.576 7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.284 2.394 5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.848 1.607 5.747 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.801 3.598 6.488 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.759 4.016 8.204 1.00 0.00 H new ATOM 881 N GLU A 60 0.598 -2.410 6.293 1.00 0.00 N ATOM 882 CA GLU A 60 1.165 -3.667 6.768 1.00 0.00 C ATOM 883 C GLU A 60 2.269 -4.154 5.833 1.00 0.00 C ATOM 884 O GLU A 60 3.273 -4.711 6.278 1.00 0.00 O ATOM 885 CB GLU A 60 0.073 -4.733 6.883 1.00 0.00 C ATOM 886 CG GLU A 60 -0.712 -4.942 5.599 1.00 0.00 C ATOM 887 CD GLU A 60 -0.051 -5.938 4.667 1.00 0.00 C ATOM 888 OE1 GLU A 60 1.136 -6.258 4.885 1.00 0.00 O ATOM 889 OE2 GLU A 60 -0.721 -6.398 3.719 1.00 0.00 O ATOM 0 H GLU A 60 -0.390 -2.460 6.045 1.00 0.00 H new ATOM 0 HA GLU A 60 1.598 -3.492 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.529 -5.678 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.617 -4.450 7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.716 -5.290 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.822 -3.987 5.085 1.00 0.00 H new ATOM 896 N HIS A 61 2.075 -3.939 4.536 1.00 0.00 N ATOM 897 CA HIS A 61 3.054 -4.356 3.538 1.00 0.00 C ATOM 898 C HIS A 61 4.303 -3.482 3.605 1.00 0.00 C ATOM 899 O HIS A 61 5.416 -3.986 3.752 1.00 0.00 O ATOM 900 CB HIS A 61 2.445 -4.289 2.137 1.00 0.00 C ATOM 901 CG HIS A 61 3.466 -4.213 1.043 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.131 -5.319 0.557 1.00 0.00 N ATOM 903 CD2 HIS A 61 3.932 -3.155 0.340 1.00 0.00 C ATOM 904 CE1 HIS A 61 4.965 -4.944 -0.397 1.00 0.00 C ATOM 905 NE2 HIS A 61 4.863 -3.635 -0.549 1.00 0.00 N ATOM 0 H HIS A 61 1.250 -3.479 4.151 1.00 0.00 H new ATOM 0 HA HIS A 61 3.340 -5.386 3.753 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.820 -5.168 1.979 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.792 -3.418 2.075 1.00 0.00 H new ATOM 0 HD1 HIS A 61 4.000 -6.277 0.883 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.629 -2.125 0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.619 -5.596 -0.957 1.00 0.00 H new ATOM 913 N GLU A 62 4.110 -2.172 3.494 1.00 0.00 N ATOM 914 CA GLU A 62 5.222 -1.229 3.540 1.00 0.00 C ATOM 915 C GLU A 62 6.245 -1.647 4.592 1.00 0.00 C ATOM 916 O GLU A 62 7.416 -1.868 4.281 1.00 0.00 O ATOM 917 CB GLU A 62 4.711 0.181 3.840 1.00 0.00 C ATOM 918 CG GLU A 62 4.396 0.993 2.595 1.00 0.00 C ATOM 919 CD GLU A 62 3.790 2.345 2.918 1.00 0.00 C ATOM 920 OE1 GLU A 62 3.160 2.472 3.988 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.946 3.276 2.100 1.00 0.00 O ATOM 0 H GLU A 62 3.195 -1.739 3.372 1.00 0.00 H new ATOM 0 HA GLU A 62 5.708 -1.231 2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.813 0.110 4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.459 0.711 4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.310 1.137 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.707 0.431 1.964 1.00 0.00 H new ATOM 928 N SER A 63 5.795 -1.752 5.838 1.00 0.00 N ATOM 929 CA SER A 63 6.671 -2.138 6.938 1.00 0.00 C ATOM 930 C SER A 63 7.556 -3.315 6.539 1.00 0.00 C ATOM 931 O SER A 63 8.708 -3.414 6.964 1.00 0.00 O ATOM 932 CB SER A 63 5.845 -2.502 8.173 1.00 0.00 C ATOM 933 OG SER A 63 6.581 -2.277 9.363 1.00 0.00 O ATOM 0 H SER A 63 4.828 -1.575 6.111 1.00 0.00 H new ATOM 0 HA SER A 63 7.311 -1.288 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.930 -1.910 8.190 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.546 -3.549 8.119 1.00 0.00 H new ATOM 0 HG SER A 63 6.031 -2.516 10.138 1.00 0.00 H new ATOM 939 N LYS A 64 7.010 -4.207 5.720 1.00 0.00 N ATOM 940 CA LYS A 64 7.747 -5.378 5.261 1.00 0.00 C ATOM 941 C LYS A 64 8.320 -5.149 3.866 1.00 0.00 C ATOM 942 O LYS A 64 9.189 -5.892 3.410 1.00 0.00 O ATOM 943 CB LYS A 64 6.838 -6.609 5.254 1.00 0.00 C ATOM 944 CG LYS A 64 5.735 -6.556 6.297 1.00 0.00 C ATOM 945 CD LYS A 64 4.641 -7.570 6.004 1.00 0.00 C ATOM 946 CE LYS A 64 5.094 -8.986 6.326 1.00 0.00 C ATOM 947 NZ LYS A 64 5.424 -9.148 7.769 1.00 0.00 N ATOM 0 H LYS A 64 6.058 -4.141 5.360 1.00 0.00 H new ATOM 0 HA LYS A 64 8.574 -5.548 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.388 -6.713 4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.444 -7.499 5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.156 -6.749 7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.306 -5.554 6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.753 -7.329 6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.357 -7.508 4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.308 -9.690 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.968 -9.234 5.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.397 -10.157 8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.376 -8.771 7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.730 -8.629 8.344 1.00 0.00 H new ATOM 961 N CYS A 65 7.828 -4.114 3.192 1.00 0.00 N ATOM 962 CA CYS A 65 8.291 -3.785 1.850 1.00 0.00 C ATOM 963 C CYS A 65 9.791 -3.503 1.845 1.00 0.00 C ATOM 964 O CYS A 65 10.290 -2.735 2.667 1.00 0.00 O ATOM 965 CB CYS A 65 7.532 -2.572 1.309 1.00 0.00 C ATOM 966 SG CYS A 65 7.840 -2.228 -0.453 1.00 0.00 S ATOM 0 H CYS A 65 7.108 -3.489 3.554 1.00 0.00 H new ATOM 0 HA CYS A 65 8.098 -4.643 1.206 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.464 -2.730 1.456 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.808 -1.694 1.893 1.00 0.00 H new ATOM 971 N GLU A 66 10.503 -4.131 0.914 1.00 0.00 N ATOM 972 CA GLU A 66 11.945 -3.948 0.804 1.00 0.00 C ATOM 973 C GLU A 66 12.274 -2.642 0.086 1.00 0.00 C ATOM 974 O GLU A 66 13.400 -2.148 0.159 1.00 0.00 O ATOM 975 CB GLU A 66 12.576 -5.126 0.058 1.00 0.00 C ATOM 976 CG GLU A 66 12.141 -5.229 -1.395 1.00 0.00 C ATOM 977 CD GLU A 66 12.453 -6.583 -2.002 1.00 0.00 C ATOM 978 OE1 GLU A 66 12.154 -7.608 -1.354 1.00 0.00 O ATOM 979 OE2 GLU A 66 12.996 -6.617 -3.126 1.00 0.00 O ATOM 0 H GLU A 66 10.105 -4.770 0.226 1.00 0.00 H new ATOM 0 HA GLU A 66 12.358 -3.903 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.661 -5.031 0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.318 -6.052 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.069 -5.042 -1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.638 -4.452 -1.975 1.00 0.00 H new ATOM 986 N TYR A 67 11.285 -2.089 -0.607 1.00 0.00 N ATOM 987 CA TYR A 67 11.469 -0.843 -1.341 1.00 0.00 C ATOM 988 C TYR A 67 11.385 0.358 -0.405 1.00 0.00 C ATOM 989 O TYR A 67 11.931 1.424 -0.691 1.00 0.00 O ATOM 990 CB TYR A 67 10.419 -0.717 -2.446 1.00 0.00 C ATOM 991 CG TYR A 67 10.693 -1.595 -3.646 1.00 0.00 C ATOM 992 CD1 TYR A 67 11.029 -2.934 -3.489 1.00 0.00 C ATOM 993 CD2 TYR A 67 10.615 -1.086 -4.936 1.00 0.00 C ATOM 994 CE1 TYR A 67 11.281 -3.740 -4.582 1.00 0.00 C ATOM 995 CE2 TYR A 67 10.864 -1.885 -6.035 1.00 0.00 C ATOM 996 CZ TYR A 67 11.197 -3.211 -5.853 1.00 0.00 C ATOM 997 OH TYR A 67 11.446 -4.011 -6.945 1.00 0.00 O ATOM 0 H TYR A 67 10.347 -2.484 -0.676 1.00 0.00 H new ATOM 0 HA TYR A 67 12.461 -0.860 -1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.441 -0.971 -2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.369 0.322 -2.771 1.00 0.00 H new ATOM 0 HD1 TYR A 67 11.094 -3.352 -2.495 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.355 -0.048 -5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.542 -4.779 -4.442 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.798 -1.474 -7.031 1.00 0.00 H new ATOM 0 HH TYR A 67 11.343 -3.485 -7.766 1.00 0.00 H new ATOM 1007 N LYS A 68 10.698 0.178 0.718 1.00 0.00 N ATOM 1008 CA LYS A 68 10.542 1.244 1.700 1.00 0.00 C ATOM 1009 C LYS A 68 11.901 1.750 2.174 1.00 0.00 C ATOM 1010 O LYS A 68 12.250 2.912 1.964 1.00 0.00 O ATOM 1011 CB LYS A 68 9.726 0.749 2.896 1.00 0.00 C ATOM 1012 CG LYS A 68 9.717 1.715 4.068 1.00 0.00 C ATOM 1013 CD LYS A 68 8.820 1.221 5.191 1.00 0.00 C ATOM 1014 CE LYS A 68 8.763 2.218 6.338 1.00 0.00 C ATOM 1015 NZ LYS A 68 8.091 1.645 7.538 1.00 0.00 N ATOM 0 H LYS A 68 10.240 -0.698 0.971 1.00 0.00 H new ATOM 0 HA LYS A 68 10.012 2.068 1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.700 0.570 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.128 -0.208 3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.733 1.844 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.375 2.694 3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.815 1.049 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.189 0.263 5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.775 2.527 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.230 3.112 6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.072 2.355 8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.117 1.373 7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.614 0.806 7.861 1.00 0.00 H new ATOM 1029 N LYS A 69 12.665 0.870 2.812 1.00 0.00 N ATOM 1030 CA LYS A 69 13.988 1.226 3.313 1.00 0.00 C ATOM 1031 C LYS A 69 14.944 1.523 2.162 1.00 0.00 C ATOM 1032 O LYS A 69 15.876 2.316 2.305 1.00 0.00 O ATOM 1033 CB LYS A 69 14.549 0.095 4.178 1.00 0.00 C ATOM 1034 CG LYS A 69 14.533 -1.260 3.492 1.00 0.00 C ATOM 1035 CD LYS A 69 15.828 -1.521 2.742 1.00 0.00 C ATOM 1036 CE LYS A 69 16.040 -3.007 2.496 1.00 0.00 C ATOM 1037 NZ LYS A 69 16.785 -3.653 3.612 1.00 0.00 N ATOM 0 H LYS A 69 12.391 -0.095 2.995 1.00 0.00 H new ATOM 0 HA LYS A 69 13.889 2.125 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 69 15.573 0.338 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.971 0.033 5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.377 -2.043 4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.694 -1.308 2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.811 -0.992 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.667 -1.122 3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.074 -3.496 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.589 -3.146 1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.909 -4.665 3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.717 -3.203 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.250 -3.543 4.497 1.00 0.00 H new ATOM 1051 N LEU A 70 14.707 0.884 1.022 1.00 0.00 N ATOM 1052 CA LEU A 70 15.546 1.081 -0.154 1.00 0.00 C ATOM 1053 C LEU A 70 15.264 2.432 -0.804 1.00 0.00 C ATOM 1054 O LEU A 70 16.050 2.919 -1.618 1.00 0.00 O ATOM 1055 CB LEU A 70 15.314 -0.043 -1.165 1.00 0.00 C ATOM 1056 CG LEU A 70 16.108 -1.329 -0.933 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.888 -2.306 -2.078 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.589 -1.019 -0.771 1.00 0.00 C ATOM 0 H LEU A 70 13.940 0.225 0.887 1.00 0.00 H new ATOM 0 HA LEU A 70 16.588 1.063 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.252 -0.290 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.554 0.334 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 70 15.751 -1.793 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.461 -3.215 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.829 -2.552 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.217 -1.851 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.139 -1.946 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.960 -0.532 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.731 -0.357 0.083 1.00 0.00 H new ATOM 1070 N THR A 71 14.137 3.035 -0.440 1.00 0.00 N ATOM 1071 CA THR A 71 13.751 4.330 -0.986 1.00 0.00 C ATOM 1072 C THR A 71 14.254 5.469 -0.108 1.00 0.00 C ATOM 1073 O THR A 71 13.868 5.587 1.056 1.00 0.00 O ATOM 1074 CB THR A 71 12.221 4.445 -1.131 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.763 3.590 -2.184 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.812 5.881 -1.421 1.00 0.00 C ATOM 0 H THR A 71 13.475 2.647 0.232 1.00 0.00 H new ATOM 0 HA THR A 71 14.209 4.406 -1.972 1.00 0.00 H new ATOM 0 HB THR A 71 11.764 4.137 -0.190 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.643 2.681 -1.838 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.728 5.938 -1.519 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.136 6.524 -0.603 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.278 6.212 -2.349 1.00 0.00 H new ATOM 1084 N CYS A 72 15.118 6.307 -0.671 1.00 0.00 N ATOM 1085 CA CYS A 72 15.674 7.439 0.060 1.00 0.00 C ATOM 1086 C CYS A 72 14.580 8.429 0.446 1.00 0.00 C ATOM 1087 O CYS A 72 14.294 9.374 -0.291 1.00 0.00 O ATOM 1088 CB CYS A 72 16.741 8.142 -0.782 1.00 0.00 C ATOM 1089 SG CYS A 72 17.913 9.144 0.189 1.00 0.00 S ATOM 0 H CYS A 72 15.448 6.223 -1.632 1.00 0.00 H new ATOM 0 HA CYS A 72 16.133 7.059 0.973 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.299 7.392 -1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.248 8.784 -1.512 1.00 0.00 H new ATOM 1094 N LEU A 73 13.970 8.207 1.605 1.00 0.00 N ATOM 1095 CA LEU A 73 12.906 9.079 2.089 1.00 0.00 C ATOM 1096 C LEU A 73 13.329 10.543 2.021 1.00 0.00 C ATOM 1097 O LEU A 73 12.499 11.430 1.822 1.00 0.00 O ATOM 1098 CB LEU A 73 12.532 8.711 3.526 1.00 0.00 C ATOM 1099 CG LEU A 73 12.223 7.236 3.782 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.029 6.981 5.269 1.00 0.00 C ATOM 1101 CD2 LEU A 73 10.990 6.806 3.001 1.00 0.00 C ATOM 0 H LEU A 73 14.194 7.430 2.227 1.00 0.00 H new ATOM 0 HA LEU A 73 12.036 8.941 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.351 9.009 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.662 9.300 3.816 1.00 0.00 H new ATOM 0 HG LEU A 73 13.071 6.643 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.810 5.926 5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.939 7.250 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.199 7.585 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.785 5.753 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.135 7.406 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.166 6.951 1.935 1.00 0.00 H new ATOM 1113 N GLU A 74 14.625 10.788 2.185 1.00 0.00 N ATOM 1114 CA GLU A 74 15.158 12.144 2.140 1.00 0.00 C ATOM 1115 C GLU A 74 14.762 12.842 0.842 1.00 0.00 C ATOM 1116 O GLU A 74 14.129 13.898 0.860 1.00 0.00 O ATOM 1117 CB GLU A 74 16.682 12.123 2.275 1.00 0.00 C ATOM 1118 CG GLU A 74 17.165 11.688 3.649 1.00 0.00 C ATOM 1119 CD GLU A 74 16.987 12.768 4.699 1.00 0.00 C ATOM 1120 OE1 GLU A 74 17.145 13.959 4.358 1.00 0.00 O ATOM 1121 OE2 GLU A 74 16.689 12.422 5.861 1.00 0.00 O ATOM 0 H GLU A 74 15.325 10.065 2.350 1.00 0.00 H new ATOM 0 HA GLU A 74 14.734 12.700 2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.096 11.450 1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.071 13.118 2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.620 10.795 3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.218 11.414 3.590 1.00 0.00 H new ATOM 1128 N CYS A 75 15.138 12.244 -0.283 1.00 0.00 N ATOM 1129 CA CYS A 75 14.824 12.806 -1.591 1.00 0.00 C ATOM 1130 C CYS A 75 13.985 11.833 -2.414 1.00 0.00 C ATOM 1131 O CYS A 75 14.059 11.820 -3.643 1.00 0.00 O ATOM 1132 CB CYS A 75 16.111 13.151 -2.344 1.00 0.00 C ATOM 1133 SG CYS A 75 17.161 11.710 -2.719 1.00 0.00 S ATOM 0 H CYS A 75 15.661 11.369 -0.315 1.00 0.00 H new ATOM 0 HA CYS A 75 14.246 13.717 -1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 75 15.851 13.650 -3.277 1.00 0.00 H new ATOM 0 HB3 CYS A 75 16.687 13.862 -1.752 1.00 0.00 H new ATOM 1138 N MET A 76 13.189 11.020 -1.728 1.00 0.00 N ATOM 1139 CA MET A 76 12.335 10.045 -2.396 1.00 0.00 C ATOM 1140 C MET A 76 13.031 9.462 -3.622 1.00 0.00 C ATOM 1141 O MET A 76 12.467 9.442 -4.716 1.00 0.00 O ATOM 1142 CB MET A 76 11.010 10.691 -2.806 1.00 0.00 C ATOM 1143 CG MET A 76 9.990 10.752 -1.680 1.00 0.00 C ATOM 1144 SD MET A 76 8.944 9.285 -1.611 1.00 0.00 S ATOM 1145 CE MET A 76 9.823 8.299 -0.402 1.00 0.00 C ATOM 0 H MET A 76 13.117 11.017 -0.711 1.00 0.00 H new ATOM 0 HA MET A 76 12.134 9.235 -1.695 1.00 0.00 H new ATOM 0 HB2 MET A 76 11.204 11.702 -3.165 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.585 10.132 -3.640 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.510 10.868 -0.729 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.364 11.635 -1.810 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.428 7.283 -0.404 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.884 8.276 -0.653 1.00 0.00 H new ATOM 0 HE3 MET A 76 9.693 8.736 0.588 1.00 0.00 H new ATOM 1155 N ARG A 77 14.258 8.990 -3.432 1.00 0.00 N ATOM 1156 CA ARG A 77 15.031 8.408 -4.523 1.00 0.00 C ATOM 1157 C ARG A 77 15.268 6.919 -4.288 1.00 0.00 C ATOM 1158 O ARG A 77 16.077 6.533 -3.443 1.00 0.00 O ATOM 1159 CB ARG A 77 16.371 9.132 -4.669 1.00 0.00 C ATOM 1160 CG ARG A 77 17.099 8.809 -5.964 1.00 0.00 C ATOM 1161 CD ARG A 77 18.002 9.954 -6.395 1.00 0.00 C ATOM 1162 NE ARG A 77 17.251 11.185 -6.630 1.00 0.00 N ATOM 1163 CZ ARG A 77 17.674 12.163 -7.423 1.00 0.00 C ATOM 1164 NH1 ARG A 77 18.834 12.055 -8.054 1.00 0.00 N ATOM 1165 NH2 ARG A 77 16.934 13.253 -7.585 1.00 0.00 N ATOM 0 H ARG A 77 14.739 8.999 -2.533 1.00 0.00 H new ATOM 0 HA ARG A 77 14.459 8.526 -5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.201 10.207 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 77 17.011 8.868 -3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.693 7.905 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.372 8.602 -6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.756 10.130 -5.627 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.533 9.674 -7.305 1.00 0.00 H new ATOM 0 HE ARG A 77 16.353 11.300 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.405 11.219 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.156 12.808 -8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.041 13.340 -7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.259 14.004 -8.194 1.00 0.00 H new ATOM 1179 N THR A 78 14.556 6.086 -5.041 1.00 0.00 N ATOM 1180 CA THR A 78 14.687 4.640 -4.915 1.00 0.00 C ATOM 1181 C THR A 78 15.904 4.129 -5.678 1.00 0.00 C ATOM 1182 O THR A 78 16.362 4.761 -6.629 1.00 0.00 O ATOM 1183 CB THR A 78 13.430 3.915 -5.431 1.00 0.00 C ATOM 1184 OG1 THR A 78 12.278 4.747 -5.255 1.00 0.00 O ATOM 1185 CG2 THR A 78 13.227 2.597 -4.699 1.00 0.00 C ATOM 0 H THR A 78 13.882 6.389 -5.745 1.00 0.00 H new ATOM 0 HA THR A 78 14.811 4.426 -3.854 1.00 0.00 H new ATOM 0 HB THR A 78 13.568 3.706 -6.492 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.483 4.280 -5.587 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.333 2.103 -5.080 1.00 0.00 H new ATOM 0 HG22 THR A 78 14.093 1.955 -4.859 1.00 0.00 H new ATOM 0 HG23 THR A 78 13.109 2.788 -3.632 1.00 0.00 H new ATOM 1193 N PHE A 79 16.423 2.981 -5.254 1.00 0.00 N ATOM 1194 CA PHE A 79 17.588 2.386 -5.898 1.00 0.00 C ATOM 1195 C PHE A 79 17.366 0.898 -6.153 1.00 0.00 C ATOM 1196 O PHE A 79 16.295 0.360 -5.871 1.00 0.00 O ATOM 1197 CB PHE A 79 18.834 2.586 -5.033 1.00 0.00 C ATOM 1198 CG PHE A 79 19.300 4.013 -4.976 1.00 0.00 C ATOM 1199 CD1 PHE A 79 18.572 4.967 -4.284 1.00 0.00 C ATOM 1200 CD2 PHE A 79 20.468 4.399 -5.615 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.999 6.280 -4.231 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.900 5.711 -5.565 1.00 0.00 C ATOM 1203 CZ PHE A 79 20.165 6.653 -4.871 1.00 0.00 C ATOM 0 H PHE A 79 16.055 2.445 -4.468 1.00 0.00 H new ATOM 0 HA PHE A 79 17.736 2.884 -6.856 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.624 2.240 -4.021 1.00 0.00 H new ATOM 0 HB3 PHE A 79 19.640 1.964 -5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.660 4.681 -3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 79 21.047 3.666 -6.158 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.421 7.014 -3.689 1.00 0.00 H new ATOM 0 HE2 PHE A 79 21.811 6.000 -6.068 1.00 0.00 H new ATOM 0 HZ PHE A 79 20.501 7.678 -4.829 1.00 0.00 H new ATOM 1213 N LYS A 80 18.387 0.237 -6.690 1.00 0.00 N ATOM 1214 CA LYS A 80 18.306 -1.189 -6.984 1.00 0.00 C ATOM 1215 C LYS A 80 18.629 -2.018 -5.746 1.00 0.00 C ATOM 1216 O LYS A 80 17.933 -2.986 -5.436 1.00 0.00 O ATOM 1217 CB LYS A 80 19.267 -1.552 -8.119 1.00 0.00 C ATOM 1218 CG LYS A 80 18.727 -1.227 -9.501 1.00 0.00 C ATOM 1219 CD LYS A 80 19.010 0.215 -9.885 1.00 0.00 C ATOM 1220 CE LYS A 80 20.466 0.412 -10.278 1.00 0.00 C ATOM 1221 NZ LYS A 80 21.318 0.741 -9.101 1.00 0.00 N ATOM 0 H LYS A 80 19.280 0.667 -6.930 1.00 0.00 H new ATOM 0 HA LYS A 80 17.286 -1.414 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 80 20.207 -1.021 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 80 19.491 -2.617 -8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.178 -1.895 -10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.652 -1.406 -9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 80 18.366 0.505 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.766 0.870 -9.049 1.00 0.00 H new ATOM 0 HE2 LYS A 80 20.839 -0.494 -10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 80 20.539 1.213 -11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 21.918 1.561 -9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.712 0.967 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 21.920 -0.075 -8.869 1.00 0.00 H new ATOM 1235 N SER A 81 19.687 -1.632 -5.039 1.00 0.00 N ATOM 1236 CA SER A 81 20.103 -2.342 -3.835 1.00 0.00 C ATOM 1237 C SER A 81 20.408 -1.364 -2.706 1.00 0.00 C ATOM 1238 O SER A 81 20.235 -0.154 -2.854 1.00 0.00 O ATOM 1239 CB SER A 81 21.333 -3.204 -4.125 1.00 0.00 C ATOM 1240 OG SER A 81 21.555 -4.142 -3.087 1.00 0.00 O ATOM 0 H SER A 81 20.272 -0.831 -5.279 1.00 0.00 H new ATOM 0 HA SER A 81 19.282 -2.987 -3.521 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.198 -3.729 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 81 22.210 -2.566 -4.237 1.00 0.00 H new ATOM 0 HG SER A 81 22.346 -4.682 -3.297 1.00 0.00 H new ATOM 1246 N SER A 82 20.863 -1.897 -1.576 1.00 0.00 N ATOM 1247 CA SER A 82 21.189 -1.072 -0.419 1.00 0.00 C ATOM 1248 C SER A 82 22.521 -0.356 -0.620 1.00 0.00 C ATOM 1249 O SER A 82 22.656 0.828 -0.312 1.00 0.00 O ATOM 1250 CB SER A 82 21.243 -1.930 0.846 1.00 0.00 C ATOM 1251 OG SER A 82 19.970 -2.012 1.462 1.00 0.00 O ATOM 0 H SER A 82 21.014 -2.896 -1.438 1.00 0.00 H new ATOM 0 HA SER A 82 20.407 -0.321 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 82 21.594 -2.931 0.595 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.963 -1.506 1.546 1.00 0.00 H new ATOM 0 HG SER A 82 20.031 -2.567 2.267 1.00 0.00 H new ATOM 1257 N PHE A 83 23.505 -1.085 -1.137 1.00 0.00 N ATOM 1258 CA PHE A 83 24.828 -0.522 -1.379 1.00 0.00 C ATOM 1259 C PHE A 83 24.741 0.700 -2.289 1.00 0.00 C ATOM 1260 O PHE A 83 25.317 1.748 -1.996 1.00 0.00 O ATOM 1261 CB PHE A 83 25.747 -1.573 -2.004 1.00 0.00 C ATOM 1262 CG PHE A 83 27.119 -1.055 -2.327 1.00 0.00 C ATOM 1263 CD1 PHE A 83 28.075 -0.922 -1.334 1.00 0.00 C ATOM 1264 CD2 PHE A 83 27.452 -0.701 -3.625 1.00 0.00 C ATOM 1265 CE1 PHE A 83 29.338 -0.444 -1.628 1.00 0.00 C ATOM 1266 CE2 PHE A 83 28.714 -0.223 -3.925 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.658 -0.095 -2.926 1.00 0.00 C ATOM 0 H PHE A 83 23.411 -2.067 -1.396 1.00 0.00 H new ATOM 0 HA PHE A 83 25.243 -0.211 -0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.838 -2.417 -1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 83 25.286 -1.950 -2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.831 -1.195 -0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 83 26.718 -0.800 -4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 83 30.074 -0.343 -0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 83 28.961 0.050 -4.940 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.645 0.277 -3.159 1.00 0.00 H new ATOM 1277 N SER A 84 24.018 0.556 -3.395 1.00 0.00 N ATOM 1278 CA SER A 84 23.858 1.646 -4.351 1.00 0.00 C ATOM 1279 C SER A 84 23.431 2.929 -3.646 1.00 0.00 C ATOM 1280 O SER A 84 24.173 3.912 -3.618 1.00 0.00 O ATOM 1281 CB SER A 84 22.829 1.270 -5.418 1.00 0.00 C ATOM 1282 OG SER A 84 21.860 0.376 -4.899 1.00 0.00 O ATOM 0 H SER A 84 23.534 -0.304 -3.651 1.00 0.00 H new ATOM 0 HA SER A 84 24.821 1.819 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.337 2.170 -5.787 1.00 0.00 H new ATOM 0 HB3 SER A 84 23.333 0.811 -6.268 1.00 0.00 H new ATOM 0 HG SER A 84 21.644 0.627 -3.977 1.00 0.00 H new ATOM 1288 N ILE A 85 22.230 2.912 -3.077 1.00 0.00 N ATOM 1289 CA ILE A 85 21.704 4.074 -2.370 1.00 0.00 C ATOM 1290 C ILE A 85 22.622 4.482 -1.224 1.00 0.00 C ATOM 1291 O ILE A 85 22.872 5.668 -1.008 1.00 0.00 O ATOM 1292 CB ILE A 85 20.294 3.802 -1.813 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.691 5.088 -1.244 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.346 2.718 -0.747 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.202 4.995 -0.988 1.00 0.00 C ATOM 0 H ILE A 85 21.603 2.107 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 85 21.649 4.887 -3.094 1.00 0.00 H new ATOM 0 HB ILE A 85 19.658 3.453 -2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.197 5.335 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.882 5.907 -1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.342 2.537 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.740 1.799 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 85 20.994 3.040 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.842 5.942 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.685 4.778 -1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.005 4.198 -0.271 1.00 0.00 H new ATOM 1307 N TRP A 86 23.122 3.493 -0.492 1.00 0.00 N ATOM 1308 CA TRP A 86 24.015 3.750 0.632 1.00 0.00 C ATOM 1309 C TRP A 86 25.035 4.828 0.283 1.00 0.00 C ATOM 1310 O TRP A 86 25.281 5.741 1.071 1.00 0.00 O ATOM 1311 CB TRP A 86 24.734 2.464 1.043 1.00 0.00 C ATOM 1312 CG TRP A 86 25.612 2.632 2.246 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.214 2.682 3.551 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.037 2.775 2.253 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.305 2.848 4.369 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.435 2.907 3.598 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.014 2.803 1.255 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 28.768 3.064 3.967 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.337 2.960 1.623 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.705 3.088 2.969 1.00 0.00 C ATOM 0 H TRP A 86 22.924 2.506 -0.657 1.00 0.00 H new ATOM 0 HA TRP A 86 23.412 4.105 1.468 1.00 0.00 H new ATOM 0 HB2 TRP A 86 23.993 1.692 1.248 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.339 2.111 0.207 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.192 2.603 3.890 1.00 0.00 H new ATOM 0 HE1 TRP A 86 26.278 2.916 5.386 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.741 2.704 0.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 29.053 3.163 5.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.101 2.984 0.860 1.00 0.00 H new ATOM 0 HH2 TRP A 86 30.748 3.208 3.224 1.00 0.00 H new ATOM 1331 N ARG A 87 25.624 4.716 -0.903 1.00 0.00 N ATOM 1332 CA ARG A 87 26.619 5.681 -1.356 1.00 0.00 C ATOM 1333 C ARG A 87 25.981 7.046 -1.597 1.00 0.00 C ATOM 1334 O ARG A 87 26.582 8.083 -1.316 1.00 0.00 O ATOM 1335 CB ARG A 87 27.293 5.188 -2.637 1.00 0.00 C ATOM 1336 CG ARG A 87 27.957 3.828 -2.491 1.00 0.00 C ATOM 1337 CD ARG A 87 29.213 3.910 -1.639 1.00 0.00 C ATOM 1338 NE ARG A 87 30.252 4.719 -2.271 1.00 0.00 N ATOM 1339 CZ ARG A 87 31.544 4.613 -1.983 1.00 0.00 C ATOM 1340 NH1 ARG A 87 31.955 3.735 -1.077 1.00 0.00 N ATOM 1341 NH2 ARG A 87 32.429 5.385 -2.601 1.00 0.00 N ATOM 0 H ARG A 87 25.430 3.967 -1.567 1.00 0.00 H new ATOM 0 HA ARG A 87 27.372 5.783 -0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.549 5.136 -3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 87 28.042 5.917 -2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.256 3.126 -2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 87 28.210 3.438 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 87 28.964 4.335 -0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.595 2.905 -1.459 1.00 0.00 H new ATOM 0 HE ARG A 87 29.969 5.403 -2.973 1.00 0.00 H new ATOM 0 HH11 ARG A 87 31.278 3.140 -0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 87 32.948 3.655 -0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 87 32.117 6.061 -3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 87 33.421 5.302 -2.379 1.00 0.00 H new ATOM 1355 N HIS A 88 24.759 7.038 -2.121 1.00 0.00 N ATOM 1356 CA HIS A 88 24.039 8.275 -2.401 1.00 0.00 C ATOM 1357 C HIS A 88 23.624 8.967 -1.106 1.00 0.00 C ATOM 1358 O HIS A 88 23.474 10.188 -1.065 1.00 0.00 O ATOM 1359 CB HIS A 88 22.805 7.990 -3.257 1.00 0.00 C ATOM 1360 CG HIS A 88 21.774 9.075 -3.203 1.00 0.00 C ATOM 1361 ND1 HIS A 88 21.779 10.162 -4.051 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.699 9.235 -2.395 1.00 0.00 C ATOM 1363 CE1 HIS A 88 20.754 10.944 -3.767 1.00 0.00 C ATOM 1364 NE2 HIS A 88 20.082 10.404 -2.766 1.00 0.00 N ATOM 0 H HIS A 88 24.247 6.189 -2.360 1.00 0.00 H new ATOM 0 HA HIS A 88 24.707 8.938 -2.950 1.00 0.00 H new ATOM 0 HB2 HIS A 88 23.116 7.847 -4.292 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.353 7.054 -2.928 1.00 0.00 H new ATOM 0 HD1 HIS A 88 22.467 10.335 -4.784 1.00 0.00 H new ATOM 0 HD2 HIS A 88 20.386 8.567 -1.606 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.507 11.868 -4.268 1.00 0.00 H new ATOM 1372 N GLN A 89 23.441 8.179 -0.052 1.00 0.00 N ATOM 1373 CA GLN A 89 23.042 8.717 1.244 1.00 0.00 C ATOM 1374 C GLN A 89 24.257 8.936 2.139 1.00 0.00 C ATOM 1375 O GLN A 89 24.188 9.664 3.130 1.00 0.00 O ATOM 1376 CB GLN A 89 22.053 7.772 1.929 1.00 0.00 C ATOM 1377 CG GLN A 89 20.779 7.543 1.132 1.00 0.00 C ATOM 1378 CD GLN A 89 19.796 6.639 1.849 1.00 0.00 C ATOM 1379 OE1 GLN A 89 18.687 7.054 2.189 1.00 0.00 O ATOM 1380 NE2 GLN A 89 20.197 5.395 2.084 1.00 0.00 N ATOM 0 H GLN A 89 23.562 7.166 -0.069 1.00 0.00 H new ATOM 0 HA GLN A 89 22.558 9.679 1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 89 22.541 6.813 2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 89 21.792 8.178 2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.304 8.503 0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.033 7.104 0.167 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.124 5.093 1.785 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.578 4.742 2.563 1.00 0.00 H new ATOM 1389 N VAL A 90 25.370 8.302 1.785 1.00 0.00 N ATOM 1390 CA VAL A 90 26.601 8.428 2.556 1.00 0.00 C ATOM 1391 C VAL A 90 27.537 9.456 1.931 1.00 0.00 C ATOM 1392 O VAL A 90 28.368 10.051 2.617 1.00 0.00 O ATOM 1393 CB VAL A 90 27.336 7.079 2.664 1.00 0.00 C ATOM 1394 CG1 VAL A 90 28.689 7.261 3.335 1.00 0.00 C ATOM 1395 CG2 VAL A 90 26.488 6.069 3.421 1.00 0.00 C ATOM 0 H VAL A 90 25.445 7.695 0.968 1.00 0.00 H new ATOM 0 HA VAL A 90 26.317 8.759 3.555 1.00 0.00 H new ATOM 0 HB VAL A 90 27.504 6.695 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.194 6.297 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.297 7.949 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 90 28.547 7.667 4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.023 5.122 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 90 26.286 6.443 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 90 25.546 5.917 2.894 1.00 0.00 H new ATOM 1405 N GLU A 91 27.397 9.661 0.625 1.00 0.00 N ATOM 1406 CA GLU A 91 28.231 10.618 -0.092 1.00 0.00 C ATOM 1407 C GLU A 91 27.535 11.971 -0.202 1.00 0.00 C ATOM 1408 O GLU A 91 28.159 13.018 -0.029 1.00 0.00 O ATOM 1409 CB GLU A 91 28.567 10.090 -1.488 1.00 0.00 C ATOM 1410 CG GLU A 91 29.419 8.832 -1.475 1.00 0.00 C ATOM 1411 CD GLU A 91 30.231 8.664 -2.744 1.00 0.00 C ATOM 1412 OE1 GLU A 91 29.627 8.400 -3.805 1.00 0.00 O ATOM 1413 OE2 GLU A 91 31.471 8.796 -2.676 1.00 0.00 O ATOM 0 H GLU A 91 26.714 9.177 0.042 1.00 0.00 H new ATOM 0 HA GLU A 91 29.155 10.749 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.639 9.885 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 91 29.090 10.867 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 91 30.093 8.863 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.775 7.963 -1.343 1.00 0.00 H new ATOM 1420 N VAL A 92 26.238 11.941 -0.490 1.00 0.00 N ATOM 1421 CA VAL A 92 25.456 13.165 -0.623 1.00 0.00 C ATOM 1422 C VAL A 92 24.872 13.592 0.719 1.00 0.00 C ATOM 1423 O VAL A 92 25.118 14.703 1.190 1.00 0.00 O ATOM 1424 CB VAL A 92 24.310 12.991 -1.637 1.00 0.00 C ATOM 1425 CG1 VAL A 92 23.693 14.338 -1.982 1.00 0.00 C ATOM 1426 CG2 VAL A 92 24.810 12.289 -2.890 1.00 0.00 C ATOM 0 H VAL A 92 25.706 11.083 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 92 26.135 13.938 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 92 23.538 12.370 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 92 22.885 14.195 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 92 23.297 14.799 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 92 24.454 14.986 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 92 23.987 12.174 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 92 25.601 12.882 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 92 25.201 11.306 -2.625 1.00 0.00 H new ATOM 1436 N HIS A 93 24.097 12.702 1.331 1.00 0.00 N ATOM 1437 CA HIS A 93 23.478 12.986 2.621 1.00 0.00 C ATOM 1438 C HIS A 93 24.461 12.740 3.761 1.00 0.00 C ATOM 1439 O HIS A 93 24.356 13.346 4.826 1.00 0.00 O ATOM 1440 CB HIS A 93 22.231 12.123 2.813 1.00 0.00 C ATOM 1441 CG HIS A 93 21.099 12.496 1.904 1.00 0.00 C ATOM 1442 ND1 HIS A 93 20.318 13.616 2.097 1.00 0.00 N ATOM 1443 CD2 HIS A 93 20.621 11.891 0.792 1.00 0.00 C ATOM 1444 CE1 HIS A 93 19.406 13.683 1.143 1.00 0.00 C ATOM 1445 NE2 HIS A 93 19.569 12.648 0.338 1.00 0.00 N ATOM 0 H HIS A 93 23.883 11.779 0.955 1.00 0.00 H new ATOM 0 HA HIS A 93 23.189 14.037 2.634 1.00 0.00 H new ATOM 0 HB2 HIS A 93 22.493 11.078 2.644 1.00 0.00 H new ATOM 0 HB3 HIS A 93 21.898 12.205 3.848 1.00 0.00 H new ATOM 0 HD1 HIS A 93 20.427 14.287 2.857 1.00 0.00 H new ATOM 0 HD2 HIS A 93 20.997 10.982 0.345 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.655 14.453 1.039 1.00 0.00 H new ATOM 1453 N ASN A 94 25.417 11.845 3.530 1.00 0.00 N ATOM 1454 CA ASN A 94 26.418 11.517 4.539 1.00 0.00 C ATOM 1455 C ASN A 94 25.756 11.160 5.866 1.00 0.00 C ATOM 1456 O ASN A 94 26.255 11.512 6.934 1.00 0.00 O ATOM 1457 CB ASN A 94 27.377 12.693 4.735 1.00 0.00 C ATOM 1458 CG ASN A 94 26.727 13.855 5.462 1.00 0.00 C ATOM 1459 OD1 ASN A 94 26.588 13.837 6.685 1.00 0.00 O ATOM 1460 ND2 ASN A 94 26.326 14.873 4.710 1.00 0.00 N ATOM 0 H ASN A 94 25.519 11.334 2.653 1.00 0.00 H new ATOM 0 HA ASN A 94 26.981 10.651 4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 94 28.248 12.358 5.298 1.00 0.00 H new ATOM 0 HB3 ASN A 94 27.736 13.031 3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 94 25.882 15.683 5.143 1.00 0.00 H new ATOM 0 HD22 ASN A 94 26.462 14.845 3.699 1.00 0.00 H new ATOM 1467 N GLN A 95 24.631 10.457 5.789 1.00 0.00 N ATOM 1468 CA GLN A 95 23.901 10.051 6.984 1.00 0.00 C ATOM 1469 C GLN A 95 24.624 8.919 7.706 1.00 0.00 C ATOM 1470 O GLN A 95 25.274 9.137 8.728 1.00 0.00 O ATOM 1471 CB GLN A 95 22.482 9.613 6.617 1.00 0.00 C ATOM 1472 CG GLN A 95 21.448 10.718 6.758 1.00 0.00 C ATOM 1473 CD GLN A 95 20.914 10.842 8.171 1.00 0.00 C ATOM 1474 OE1 GLN A 95 20.113 10.021 8.619 1.00 0.00 O ATOM 1475 NE2 GLN A 95 21.357 11.872 8.883 1.00 0.00 N ATOM 0 H GLN A 95 24.205 10.157 4.912 1.00 0.00 H new ATOM 0 HA GLN A 95 23.847 10.909 7.654 1.00 0.00 H new ATOM 0 HB2 GLN A 95 22.477 9.251 5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 95 22.194 8.775 7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 95 21.893 11.667 6.457 1.00 0.00 H new ATOM 0 HG3 GLN A 95 20.620 10.524 6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 95 22.021 12.528 8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 95 21.033 12.007 9.841 1.00 0.00 H new ATOM 1484 N ASN A 96 24.507 7.710 7.168 1.00 0.00 N ATOM 1485 CA ASN A 96 25.149 6.543 7.762 1.00 0.00 C ATOM 1486 C ASN A 96 26.611 6.450 7.334 1.00 0.00 C ATOM 1487 O ASN A 96 26.988 5.566 6.566 1.00 0.00 O ATOM 1488 CB ASN A 96 24.407 5.267 7.361 1.00 0.00 C ATOM 1489 CG ASN A 96 23.281 4.928 8.320 1.00 0.00 C ATOM 1490 OD1 ASN A 96 23.259 3.849 8.912 1.00 0.00 O ATOM 1491 ND2 ASN A 96 22.339 5.851 8.475 1.00 0.00 N ATOM 0 H ASN A 96 23.973 7.512 6.321 1.00 0.00 H new ATOM 0 HA ASN A 96 25.112 6.651 8.846 1.00 0.00 H new ATOM 0 HB2 ASN A 96 24.002 5.386 6.356 1.00 0.00 H new ATOM 0 HB3 ASN A 96 25.112 4.436 7.324 1.00 0.00 H new ATOM 0 HD21 ASN A 96 21.556 5.680 9.106 1.00 0.00 H new ATOM 0 HD22 ASN A 96 22.399 6.731 7.963 1.00 0.00 H new ATOM 1498 N ASN A 97 27.429 7.369 7.837 1.00 0.00 N ATOM 1499 CA ASN A 97 28.849 7.391 7.507 1.00 0.00 C ATOM 1500 C ASN A 97 29.444 5.987 7.571 1.00 0.00 C ATOM 1501 O ASN A 97 30.262 5.610 6.732 1.00 0.00 O ATOM 1502 CB ASN A 97 29.602 8.319 8.462 1.00 0.00 C ATOM 1503 CG ASN A 97 29.854 7.678 9.813 1.00 0.00 C ATOM 1504 OD1 ASN A 97 29.032 7.779 10.724 1.00 0.00 O ATOM 1505 ND2 ASN A 97 30.997 7.015 9.948 1.00 0.00 N ATOM 0 H ASN A 97 27.133 8.108 8.475 1.00 0.00 H new ATOM 0 HA ASN A 97 28.954 7.766 6.489 1.00 0.00 H new ATOM 0 HB2 ASN A 97 30.555 8.602 8.014 1.00 0.00 H new ATOM 0 HB3 ASN A 97 29.030 9.236 8.599 1.00 0.00 H new ATOM 0 HD21 ASN A 97 31.223 6.563 10.834 1.00 0.00 H new ATOM 0 HD22 ASN A 97 31.649 6.957 9.165 1.00 0.00 H new ATOM 1512 N MET A 98 29.027 5.218 8.571 1.00 0.00 N ATOM 1513 CA MET A 98 29.517 3.856 8.743 1.00 0.00 C ATOM 1514 C MET A 98 28.789 2.894 7.809 1.00 0.00 C ATOM 1515 O MET A 98 27.887 3.293 7.073 1.00 0.00 O ATOM 1516 CB MET A 98 29.340 3.407 10.195 1.00 0.00 C ATOM 1517 CG MET A 98 27.899 3.095 10.563 1.00 0.00 C ATOM 1518 SD MET A 98 27.015 4.535 11.193 1.00 0.00 S ATOM 1519 CE MET A 98 28.003 4.935 12.632 1.00 0.00 C ATOM 0 H MET A 98 28.351 5.515 9.275 1.00 0.00 H new ATOM 0 HA MET A 98 30.578 3.844 8.493 1.00 0.00 H new ATOM 0 HB2 MET A 98 29.951 2.521 10.370 1.00 0.00 H new ATOM 0 HB3 MET A 98 29.714 4.188 10.857 1.00 0.00 H new ATOM 0 HG2 MET A 98 27.379 2.710 9.686 1.00 0.00 H new ATOM 0 HG3 MET A 98 27.883 2.306 11.315 1.00 0.00 H new ATOM 0 HE1 MET A 98 27.367 5.378 13.398 1.00 0.00 H new ATOM 0 HE2 MET A 98 28.462 4.027 13.022 1.00 0.00 H new ATOM 0 HE3 MET A 98 28.782 5.644 12.353 1.00 0.00 H new ATOM 1529 N ALA A 99 29.187 1.627 7.844 1.00 0.00 N ATOM 1530 CA ALA A 99 28.571 0.609 7.002 1.00 0.00 C ATOM 1531 C ALA A 99 28.509 -0.735 7.721 1.00 0.00 C ATOM 1532 O ALA A 99 29.263 -1.000 8.658 1.00 0.00 O ATOM 1533 CB ALA A 99 29.334 0.474 5.693 1.00 0.00 C ATOM 0 H ALA A 99 29.934 1.281 8.447 1.00 0.00 H new ATOM 0 HA ALA A 99 27.550 0.923 6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 99 28.863 -0.290 5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 99 29.322 1.427 5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 99 30.365 0.187 5.901 1.00 0.00 H new ATOM 1539 N PRO A 100 27.590 -1.604 7.275 1.00 0.00 N ATOM 1540 CA PRO A 100 27.408 -2.935 7.862 1.00 0.00 C ATOM 1541 C PRO A 100 28.578 -3.866 7.561 1.00 0.00 C ATOM 1542 O PRO A 100 28.526 -4.662 6.623 1.00 0.00 O ATOM 1543 CB PRO A 100 26.131 -3.447 7.192 1.00 0.00 C ATOM 1544 CG PRO A 100 26.059 -2.709 5.900 1.00 0.00 C ATOM 1545 CD PRO A 100 26.658 -1.355 6.163 1.00 0.00 C ATOM 0 HA PRO A 100 27.348 -2.896 8.950 1.00 0.00 H new ATOM 0 HB2 PRO A 100 26.173 -4.524 7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 100 25.254 -3.251 7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 100 26.609 -3.234 5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 100 25.028 -2.620 5.558 1.00 0.00 H new ATOM 0 HD2 PRO A 100 27.175 -0.967 5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 100 25.896 -0.624 6.434 1.00 0.00 H new ATOM 1553 N THR A 101 29.633 -3.762 8.363 1.00 0.00 N ATOM 1554 CA THR A 101 30.816 -4.594 8.182 1.00 0.00 C ATOM 1555 C THR A 101 30.446 -6.072 8.132 1.00 0.00 C ATOM 1556 O THR A 101 29.891 -6.615 9.087 1.00 0.00 O ATOM 1557 CB THR A 101 31.838 -4.370 9.312 1.00 0.00 C ATOM 1558 OG1 THR A 101 33.036 -5.108 9.042 1.00 0.00 O ATOM 1559 CG2 THR A 101 31.264 -4.799 10.654 1.00 0.00 C ATOM 0 H THR A 101 29.692 -3.109 9.145 1.00 0.00 H new ATOM 0 HA THR A 101 31.265 -4.303 7.233 1.00 0.00 H new ATOM 0 HB THR A 101 32.069 -3.306 9.357 1.00 0.00 H new ATOM 0 HG1 THR A 101 33.682 -4.959 9.764 1.00 0.00 H new ATOM 0 HG21 THR A 101 32.004 -4.631 11.437 1.00 0.00 H new ATOM 0 HG22 THR A 101 30.369 -4.216 10.870 1.00 0.00 H new ATOM 0 HG23 THR A 101 31.007 -5.858 10.618 1.00 0.00 H new ATOM 1567 N SER A 102 30.757 -6.718 7.013 1.00 0.00 N ATOM 1568 CA SER A 102 30.454 -8.133 6.838 1.00 0.00 C ATOM 1569 C SER A 102 31.718 -8.923 6.511 1.00 0.00 C ATOM 1570 O SER A 102 32.629 -8.415 5.860 1.00 0.00 O ATOM 1571 CB SER A 102 29.419 -8.321 5.726 1.00 0.00 C ATOM 1572 OG SER A 102 29.824 -7.665 4.537 1.00 0.00 O ATOM 0 H SER A 102 31.219 -6.284 6.214 1.00 0.00 H new ATOM 0 HA SER A 102 30.043 -8.510 7.775 1.00 0.00 H new ATOM 0 HB2 SER A 102 29.281 -9.384 5.530 1.00 0.00 H new ATOM 0 HB3 SER A 102 28.455 -7.929 6.051 1.00 0.00 H new ATOM 0 HG SER A 102 29.147 -7.801 3.841 1.00 0.00 H new ATOM 1578 N GLY A 103 31.763 -10.171 6.969 1.00 0.00 N ATOM 1579 CA GLY A 103 32.919 -11.011 6.716 1.00 0.00 C ATOM 1580 C GLY A 103 32.627 -12.482 6.942 1.00 0.00 C ATOM 1581 O GLY A 103 32.074 -12.876 7.969 1.00 0.00 O ATOM 0 H GLY A 103 31.021 -10.614 7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 103 33.254 -10.864 5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 103 33.738 -10.702 7.366 1.00 0.00 H new ATOM 1585 N PRO A 104 33.001 -13.320 5.964 1.00 0.00 N ATOM 1586 CA PRO A 104 32.785 -14.768 6.038 1.00 0.00 C ATOM 1587 C PRO A 104 33.672 -15.435 7.083 1.00 0.00 C ATOM 1588 O PRO A 104 34.873 -15.608 6.873 1.00 0.00 O ATOM 1589 CB PRO A 104 33.155 -15.254 4.634 1.00 0.00 C ATOM 1590 CG PRO A 104 34.104 -14.228 4.117 1.00 0.00 C ATOM 1591 CD PRO A 104 33.665 -12.919 4.713 1.00 0.00 C ATOM 0 HA PRO A 104 31.765 -15.013 6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 104 33.617 -16.241 4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 104 32.274 -15.335 3.998 1.00 0.00 H new ATOM 0 HG2 PRO A 104 35.128 -14.464 4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 104 34.080 -14.188 3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 104 34.512 -12.259 4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 104 32.985 -12.384 4.051 1.00 0.00 H new ATOM 1599 N SER A 105 33.074 -15.807 8.210 1.00 0.00 N ATOM 1600 CA SER A 105 33.811 -16.452 9.290 1.00 0.00 C ATOM 1601 C SER A 105 34.514 -17.711 8.792 1.00 0.00 C ATOM 1602 O SER A 105 35.725 -17.863 8.951 1.00 0.00 O ATOM 1603 CB SER A 105 32.867 -16.804 10.442 1.00 0.00 C ATOM 1604 OG SER A 105 33.575 -16.920 11.664 1.00 0.00 O ATOM 0 H SER A 105 32.081 -15.673 8.399 1.00 0.00 H new ATOM 0 HA SER A 105 34.566 -15.753 9.649 1.00 0.00 H new ATOM 0 HB2 SER A 105 32.099 -16.036 10.535 1.00 0.00 H new ATOM 0 HB3 SER A 105 32.356 -17.742 10.224 1.00 0.00 H new ATOM 0 HG SER A 105 32.949 -17.144 12.385 1.00 0.00 H new ATOM 1610 N SER A 106 33.745 -18.612 8.188 1.00 0.00 N ATOM 1611 CA SER A 106 34.292 -19.860 7.670 1.00 0.00 C ATOM 1612 C SER A 106 33.632 -20.233 6.346 1.00 0.00 C ATOM 1613 O SER A 106 32.689 -19.580 5.903 1.00 0.00 O ATOM 1614 CB SER A 106 34.099 -20.987 8.685 1.00 0.00 C ATOM 1615 OG SER A 106 35.165 -21.022 9.618 1.00 0.00 O ATOM 0 H SER A 106 32.741 -18.500 8.046 1.00 0.00 H new ATOM 0 HA SER A 106 35.359 -19.717 7.497 1.00 0.00 H new ATOM 0 HB2 SER A 106 33.155 -20.848 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 106 34.036 -21.943 8.164 1.00 0.00 H new ATOM 0 HG SER A 106 35.611 -20.149 9.638 1.00 0.00 H new ATOM 1621 N GLY A 107 34.137 -21.291 5.718 1.00 0.00 N ATOM 1622 CA GLY A 107 33.585 -21.735 4.451 1.00 0.00 C ATOM 1623 C GLY A 107 34.611 -22.442 3.588 1.00 0.00 C ATOM 1624 O GLY A 107 35.627 -21.837 3.248 1.00 0.00 O ATOM 0 H GLY A 107 34.918 -21.848 6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 107 32.747 -22.407 4.639 1.00 0.00 H new ATOM 0 HA3 GLY A 107 33.189 -20.876 3.909 1.00 0.00 H new TER 1628 GLY A 107 HETATM 1629 ZN ZN A 301 -12.543 -3.517 -5.719 1.00 0.00 ZN HETATM 1630 ZN ZN A 501 5.777 -1.664 -1.385 1.00 0.00 ZN HETATM 1631 ZN ZN A 701 18.592 11.035 -1.030 1.00 0.00 ZN