USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 911 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 MET CE :methyl -177:sc= -2.63 (180deg=-2.68) USER MOD Set 1.2: A 23 MET CE :methyl 152:sc= -0.948 (180deg=-0.593) USER MOD Single : A 1 GLY N :NH3+ -134:sc=-0.00798 (180deg=-0.856) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0537 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 100:sc= 1.22 USER MOD Single : A 18 GLN : amide:sc= -0.978 K(o=-0.98,f=-2.7) USER MOD Single : A 20 GLN : amide:sc= -0.639 K(o=-0.64,f=-2.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -3.71! C(o=-3.7!,f=-4.5!) USER MOD Single : A 33 GLN :FLIP amide:sc= -1.92 F(o=-2.6!,f=-1.9) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -4.9! C(o=-6.8!,f=-4.9!) USER MOD Single : A 38 THR OG1 : rot 130:sc= -1.34! USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= 0.849 (180deg=0.746) USER MOD Single : A 44 THR OG1 : rot 88:sc= 1.1 USER MOD Single : A 46 MET CE :methyl -117:sc= -9.26! (180deg=-16.3!) USER MOD Single : A 52 ASN :FLIP amide:sc= -4.18! C(o=-7.2!,f=-4.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.353 X(o=-0.35,f=0.074) USER MOD Single : A 58 MET CE :methyl -146:sc= -5.8! (180deg=-8.12!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= 1.17 (180deg=0.996) USER MOD Single : A 77 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.8!) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.203 F(o=-2.1!,f=-0.2) USER MOD Single : A 80 GLN : amide:sc= -0.465 X(o=-0.46,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -147:sc= -0.1 (180deg=-0.686) USER MOD Single : A 86 GLN : amide:sc= -0.614 K(o=-0.61,f=-1.5) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0564 K(o=-0.056,f=-6.4!) USER MOD Single : A 91 SER OG : rot 58:sc= 0.481 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 48:sc= 0.806 USER MOD Single : B 1 VAL N :NH3+ 174:sc= -0.106 (180deg=-0.13) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot -84:sc= -2.95! USER MOD Single : B 9 ASN : amide:sc= -1 X(o=-1,f=-0.6!) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 55:sc= -1.9! USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0.0801 USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.921 -20.885 -13.546 1.00 0.00 N ATOM 2 CA GLY A 1 5.959 -19.842 -13.095 1.00 0.00 C ATOM 3 C GLY A 1 6.646 -18.654 -12.442 1.00 0.00 C ATOM 4 O GLY A 1 6.565 -18.483 -11.226 1.00 0.00 O ATOM 0 H1 GLY A 1 6.677 -21.189 -14.510 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.885 -20.494 -13.540 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.874 -21.701 -12.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.378 -19.496 -13.950 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.256 -20.283 -12.389 1.00 0.00 H new ATOM 10 N PRO A 2 7.336 -17.807 -13.228 1.00 0.00 N ATOM 11 CA PRO A 2 8.037 -16.632 -12.699 1.00 0.00 C ATOM 12 C PRO A 2 7.100 -15.467 -12.375 1.00 0.00 C ATOM 13 O PRO A 2 7.553 -14.340 -12.172 1.00 0.00 O ATOM 14 CB PRO A 2 8.977 -16.249 -13.840 1.00 0.00 C ATOM 15 CG PRO A 2 8.273 -16.698 -15.073 1.00 0.00 C ATOM 16 CD PRO A 2 7.497 -17.934 -14.691 1.00 0.00 C ATOM 0 HA PRO A 2 8.537 -16.854 -11.756 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.162 -15.175 -13.858 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.946 -16.738 -13.736 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.606 -15.920 -15.445 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.984 -16.916 -15.869 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.533 -17.974 -15.198 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.036 -18.843 -14.957 1.00 0.00 H new ATOM 24 N LEU A 3 5.796 -15.737 -12.324 1.00 0.00 N ATOM 25 CA LEU A 3 4.818 -14.699 -12.021 1.00 0.00 C ATOM 26 C LEU A 3 4.638 -14.541 -10.515 1.00 0.00 C ATOM 27 O LEU A 3 3.859 -15.262 -9.893 1.00 0.00 O ATOM 28 CB LEU A 3 3.473 -15.032 -12.673 1.00 0.00 C ATOM 29 CG LEU A 3 3.527 -15.285 -14.179 1.00 0.00 C ATOM 30 CD1 LEU A 3 2.491 -16.322 -14.583 1.00 0.00 C ATOM 31 CD2 LEU A 3 3.313 -13.989 -14.947 1.00 0.00 C ATOM 0 H LEU A 3 5.396 -16.661 -12.488 1.00 0.00 H new ATOM 0 HA LEU A 3 5.189 -13.757 -12.425 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.060 -15.916 -12.187 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.782 -14.211 -12.483 1.00 0.00 H new ATOM 0 HG LEU A 3 4.515 -15.672 -14.427 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.544 -16.489 -15.659 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.689 -17.258 -14.060 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.496 -15.964 -14.320 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.355 -14.189 -16.018 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.338 -13.573 -14.694 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.093 -13.275 -14.681 1.00 0.00 H new ATOM 43 N GLY A 4 5.365 -13.592 -9.934 1.00 0.00 N ATOM 44 CA GLY A 4 5.270 -13.356 -8.506 1.00 0.00 C ATOM 45 C GLY A 4 4.147 -12.403 -8.149 1.00 0.00 C ATOM 46 O GLY A 4 3.315 -12.704 -7.292 1.00 0.00 O ATOM 0 H GLY A 4 6.018 -12.983 -10.427 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.113 -14.305 -7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.215 -12.951 -8.144 1.00 0.00 H new ATOM 50 N SER A 5 4.125 -11.248 -8.807 1.00 0.00 N ATOM 51 CA SER A 5 3.098 -10.243 -8.556 1.00 0.00 C ATOM 52 C SER A 5 1.813 -10.576 -9.316 1.00 0.00 C ATOM 53 O SER A 5 1.832 -10.739 -10.535 1.00 0.00 O ATOM 54 CB SER A 5 3.608 -8.862 -8.962 1.00 0.00 C ATOM 55 OG SER A 5 4.449 -8.942 -10.100 1.00 0.00 O ATOM 0 H SER A 5 4.807 -10.985 -9.518 1.00 0.00 H new ATOM 0 HA SER A 5 2.872 -10.240 -7.490 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.763 -8.207 -9.176 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.155 -8.415 -8.132 1.00 0.00 H new ATOM 0 HG SER A 5 4.761 -8.044 -10.340 1.00 0.00 H new ATOM 61 N PRO A 6 0.675 -10.690 -8.604 1.00 0.00 N ATOM 62 CA PRO A 6 -0.619 -11.013 -9.222 1.00 0.00 C ATOM 63 C PRO A 6 -0.947 -10.116 -10.412 1.00 0.00 C ATOM 64 O PRO A 6 -0.233 -9.154 -10.694 1.00 0.00 O ATOM 65 CB PRO A 6 -1.618 -10.786 -8.085 1.00 0.00 C ATOM 66 CG PRO A 6 -0.830 -11.014 -6.843 1.00 0.00 C ATOM 67 CD PRO A 6 0.558 -10.520 -7.141 1.00 0.00 C ATOM 0 HA PRO A 6 -0.632 -12.025 -9.628 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.029 -9.777 -8.114 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.460 -11.475 -8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.264 -10.476 -6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.820 -12.070 -6.575 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.686 -9.478 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.313 -11.097 -6.608 1.00 0.00 H new ATOM 75 N LEU A 7 -2.037 -10.440 -11.106 1.00 0.00 N ATOM 76 CA LEU A 7 -2.465 -9.668 -12.267 1.00 0.00 C ATOM 77 C LEU A 7 -3.516 -8.629 -11.874 1.00 0.00 C ATOM 78 O LEU A 7 -4.548 -8.958 -11.286 1.00 0.00 O ATOM 79 CB LEU A 7 -3.020 -10.599 -13.350 1.00 0.00 C ATOM 80 CG LEU A 7 -2.043 -10.936 -14.480 1.00 0.00 C ATOM 81 CD1 LEU A 7 -1.482 -9.665 -15.101 1.00 0.00 C ATOM 82 CD2 LEU A 7 -0.917 -11.823 -13.968 1.00 0.00 C ATOM 0 H LEU A 7 -2.639 -11.233 -10.883 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.597 -9.143 -12.665 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.341 -11.528 -12.879 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.908 -10.138 -13.783 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.587 -11.482 -15.250 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.790 -9.926 -15.902 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.298 -9.068 -15.507 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.955 -9.090 -14.340 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.233 -12.051 -14.786 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.376 -11.304 -13.177 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.334 -12.750 -13.574 1.00 0.00 H new ATOM 94 N THR A 8 -3.234 -7.369 -12.187 1.00 0.00 N ATOM 95 CA THR A 8 -4.133 -6.278 -11.838 1.00 0.00 C ATOM 96 C THR A 8 -5.185 -6.084 -12.915 1.00 0.00 C ATOM 97 O THR A 8 -6.331 -5.750 -12.614 1.00 0.00 O ATOM 98 CB THR A 8 -3.338 -4.983 -11.644 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.924 -4.459 -12.895 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.099 -5.157 -10.789 1.00 0.00 C ATOM 0 H THR A 8 -2.390 -7.079 -12.681 1.00 0.00 H new ATOM 0 HA THR A 8 -4.636 -6.532 -10.905 1.00 0.00 H new ATOM 0 HB THR A 8 -4.018 -4.303 -11.132 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.419 -3.631 -12.752 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.585 -4.200 -10.694 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.387 -5.514 -9.800 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.433 -5.882 -11.257 1.00 0.00 H new ATOM 108 N ALA A 9 -4.814 -6.330 -14.163 1.00 0.00 N ATOM 109 CA ALA A 9 -5.765 -6.213 -15.254 1.00 0.00 C ATOM 110 C ALA A 9 -6.921 -7.171 -15.010 1.00 0.00 C ATOM 111 O ALA A 9 -8.055 -6.749 -14.780 1.00 0.00 O ATOM 112 CB ALA A 9 -5.091 -6.506 -16.586 1.00 0.00 C ATOM 0 H ALA A 9 -3.873 -6.608 -14.441 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.147 -5.193 -15.295 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.820 -6.413 -17.391 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.280 -5.796 -16.747 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.689 -7.519 -16.575 1.00 0.00 H new ATOM 118 N SER A 10 -6.630 -8.466 -15.086 1.00 0.00 N ATOM 119 CA SER A 10 -7.649 -9.493 -14.898 1.00 0.00 C ATOM 120 C SER A 10 -8.341 -9.358 -13.543 1.00 0.00 C ATOM 121 O SER A 10 -9.483 -9.793 -13.381 1.00 0.00 O ATOM 122 CB SER A 10 -7.025 -10.884 -15.026 1.00 0.00 C ATOM 123 OG SER A 10 -7.879 -11.759 -15.740 1.00 0.00 O ATOM 0 H SER A 10 -5.696 -8.829 -15.277 1.00 0.00 H new ATOM 0 HA SER A 10 -8.401 -9.358 -15.675 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.065 -10.810 -15.537 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.828 -11.291 -14.034 1.00 0.00 H new ATOM 0 HG SER A 10 -7.458 -12.641 -15.811 1.00 0.00 H new ATOM 129 N MET A 11 -7.665 -8.758 -12.566 1.00 0.00 N ATOM 130 CA MET A 11 -8.264 -8.597 -11.249 1.00 0.00 C ATOM 131 C MET A 11 -9.503 -7.717 -11.348 1.00 0.00 C ATOM 132 O MET A 11 -10.537 -8.005 -10.745 1.00 0.00 O ATOM 133 CB MET A 11 -7.254 -7.987 -10.272 1.00 0.00 C ATOM 134 CG MET A 11 -6.689 -8.985 -9.272 1.00 0.00 C ATOM 135 SD MET A 11 -7.968 -9.860 -8.349 1.00 0.00 S ATOM 136 CE MET A 11 -9.000 -8.497 -7.817 1.00 0.00 C ATOM 0 H MET A 11 -6.721 -8.383 -12.660 1.00 0.00 H new ATOM 0 HA MET A 11 -8.555 -9.578 -10.873 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.432 -7.550 -10.839 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.734 -7.174 -9.728 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.070 -9.710 -9.801 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.038 -8.461 -8.572 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.806 -8.875 -7.188 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.400 -7.786 -7.249 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.423 -7.999 -8.689 1.00 0.00 H new ATOM 146 N LEU A 12 -9.392 -6.652 -12.121 1.00 0.00 N ATOM 147 CA LEU A 12 -10.507 -5.732 -12.318 1.00 0.00 C ATOM 148 C LEU A 12 -11.690 -6.457 -12.952 1.00 0.00 C ATOM 149 O LEU A 12 -12.799 -6.438 -12.420 1.00 0.00 O ATOM 150 CB LEU A 12 -10.082 -4.540 -13.184 1.00 0.00 C ATOM 151 CG LEU A 12 -10.545 -3.169 -12.679 1.00 0.00 C ATOM 152 CD1 LEU A 12 -12.013 -2.946 -13.007 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.310 -3.039 -11.181 1.00 0.00 C ATOM 0 H LEU A 12 -8.542 -6.399 -12.625 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.814 -5.353 -11.343 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.994 -4.534 -13.257 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.469 -4.688 -14.192 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.957 -2.404 -13.186 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.323 -1.967 -12.641 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.155 -2.991 -14.087 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.614 -3.720 -12.529 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.646 -2.058 -10.844 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.869 -3.814 -10.656 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.247 -3.151 -10.968 1.00 0.00 H new ATOM 165 N ALA A 13 -11.441 -7.118 -14.079 1.00 0.00 N ATOM 166 CA ALA A 13 -12.482 -7.875 -14.766 1.00 0.00 C ATOM 167 C ALA A 13 -12.857 -9.138 -13.985 1.00 0.00 C ATOM 168 O ALA A 13 -13.651 -9.953 -14.451 1.00 0.00 O ATOM 169 CB ALA A 13 -12.025 -8.243 -16.166 1.00 0.00 C ATOM 0 H ALA A 13 -10.529 -7.145 -14.535 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.368 -7.244 -14.833 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.810 -8.808 -16.668 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.813 -7.335 -16.730 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.123 -8.851 -16.106 1.00 0.00 H new ATOM 175 N SER A 14 -12.283 -9.285 -12.791 1.00 0.00 N ATOM 176 CA SER A 14 -12.560 -10.439 -11.947 1.00 0.00 C ATOM 177 C SER A 14 -13.565 -10.099 -10.840 1.00 0.00 C ATOM 178 O SER A 14 -13.862 -10.939 -9.992 1.00 0.00 O ATOM 179 CB SER A 14 -11.267 -10.970 -11.330 1.00 0.00 C ATOM 180 OG SER A 14 -10.608 -11.856 -12.217 1.00 0.00 O ATOM 0 H SER A 14 -11.624 -8.618 -12.390 1.00 0.00 H new ATOM 0 HA SER A 14 -13.001 -11.210 -12.579 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.608 -10.137 -11.086 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.490 -11.485 -10.395 1.00 0.00 H new ATOM 0 HG SER A 14 -9.884 -11.381 -12.676 1.00 0.00 H new ATOM 186 N ALA A 15 -14.101 -8.877 -10.860 1.00 0.00 N ATOM 187 CA ALA A 15 -15.081 -8.465 -9.864 1.00 0.00 C ATOM 188 C ALA A 15 -16.274 -7.768 -10.527 1.00 0.00 C ATOM 189 O ALA A 15 -16.106 -7.048 -11.510 1.00 0.00 O ATOM 190 CB ALA A 15 -14.430 -7.558 -8.834 1.00 0.00 C ATOM 0 H ALA A 15 -13.872 -8.163 -11.551 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.454 -9.355 -9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.172 -7.256 -8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.620 -8.093 -8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.030 -6.673 -9.329 1.00 0.00 H new ATOM 196 N PRO A 16 -17.500 -8.001 -10.009 1.00 0.00 N ATOM 197 CA PRO A 16 -18.734 -7.422 -10.553 1.00 0.00 C ATOM 198 C PRO A 16 -18.579 -5.976 -11.041 1.00 0.00 C ATOM 199 O PRO A 16 -17.520 -5.364 -10.894 1.00 0.00 O ATOM 200 CB PRO A 16 -19.705 -7.469 -9.371 1.00 0.00 C ATOM 201 CG PRO A 16 -19.156 -8.468 -8.397 1.00 0.00 C ATOM 202 CD PRO A 16 -17.782 -8.882 -8.866 1.00 0.00 C ATOM 0 HA PRO A 16 -19.062 -7.974 -11.434 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.796 -6.487 -8.907 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.702 -7.759 -9.702 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.102 -8.034 -7.398 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.813 -9.336 -8.332 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.040 -8.758 -8.077 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.763 -9.931 -9.160 1.00 0.00 H new ATOM 210 N PRO A 17 -19.650 -5.412 -11.633 1.00 0.00 N ATOM 211 CA PRO A 17 -19.647 -4.037 -12.156 1.00 0.00 C ATOM 212 C PRO A 17 -19.052 -3.020 -11.180 1.00 0.00 C ATOM 213 O PRO A 17 -17.903 -2.608 -11.337 1.00 0.00 O ATOM 214 CB PRO A 17 -21.131 -3.757 -12.411 1.00 0.00 C ATOM 215 CG PRO A 17 -21.723 -5.093 -12.688 1.00 0.00 C ATOM 216 CD PRO A 17 -20.952 -6.074 -11.843 1.00 0.00 C ATOM 0 HA PRO A 17 -19.022 -3.943 -13.044 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.600 -3.287 -11.546 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.267 -3.080 -13.255 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.783 -5.110 -12.435 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.644 -5.343 -13.746 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.457 -6.271 -10.898 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.836 -7.033 -12.349 1.00 0.00 H new ATOM 224 N GLN A 18 -19.832 -2.607 -10.181 1.00 0.00 N ATOM 225 CA GLN A 18 -19.363 -1.632 -9.199 1.00 0.00 C ATOM 226 C GLN A 18 -18.156 -2.154 -8.439 1.00 0.00 C ATOM 227 O GLN A 18 -17.418 -1.382 -7.827 1.00 0.00 O ATOM 228 CB GLN A 18 -20.486 -1.265 -8.223 1.00 0.00 C ATOM 229 CG GLN A 18 -20.875 -2.394 -7.280 1.00 0.00 C ATOM 230 CD GLN A 18 -21.758 -3.432 -7.944 1.00 0.00 C ATOM 231 OE1 GLN A 18 -21.266 -4.395 -8.533 1.00 0.00 O ATOM 232 NE2 GLN A 18 -23.068 -3.241 -7.856 1.00 0.00 N ATOM 0 H GLN A 18 -20.787 -2.931 -10.031 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.062 -0.735 -9.740 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -20.174 -0.403 -7.633 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.364 -0.961 -8.792 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.972 -2.877 -6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -21.395 -1.978 -6.417 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.433 -2.429 -7.358 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -23.710 -3.906 -8.286 1.00 0.00 H new ATOM 241 N GLU A 19 -17.941 -3.462 -8.494 1.00 0.00 N ATOM 242 CA GLU A 19 -16.810 -4.075 -7.822 1.00 0.00 C ATOM 243 C GLU A 19 -15.578 -4.016 -8.717 1.00 0.00 C ATOM 244 O GLU A 19 -14.762 -4.932 -8.736 1.00 0.00 O ATOM 245 CB GLU A 19 -17.136 -5.527 -7.450 1.00 0.00 C ATOM 246 CG GLU A 19 -18.291 -5.658 -6.465 1.00 0.00 C ATOM 247 CD GLU A 19 -17.947 -5.167 -5.071 1.00 0.00 C ATOM 248 OE1 GLU A 19 -17.310 -4.100 -4.954 1.00 0.00 O ATOM 249 OE2 GLU A 19 -18.321 -5.850 -4.095 1.00 0.00 O ATOM 0 H GLU A 19 -18.538 -4.117 -8.999 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.602 -3.524 -6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.378 -6.080 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.248 -5.992 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -19.146 -5.095 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.596 -6.703 -6.410 1.00 0.00 H new ATOM 256 N GLN A 20 -15.421 -2.892 -9.411 1.00 0.00 N ATOM 257 CA GLN A 20 -14.256 -2.677 -10.258 1.00 0.00 C ATOM 258 C GLN A 20 -13.013 -2.470 -9.400 1.00 0.00 C ATOM 259 O GLN A 20 -12.230 -3.388 -9.158 1.00 0.00 O ATOM 260 CB GLN A 20 -14.431 -1.479 -11.220 1.00 0.00 C ATOM 261 CG GLN A 20 -15.590 -0.544 -10.903 1.00 0.00 C ATOM 262 CD GLN A 20 -15.893 0.408 -12.046 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.050 0.735 -12.305 1.00 0.00 O ATOM 264 NE2 GLN A 20 -14.850 0.855 -12.738 1.00 0.00 N ATOM 0 H GLN A 20 -16.086 -2.118 -9.402 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.141 -3.571 -10.870 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.509 -0.898 -11.220 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.565 -1.864 -12.231 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.479 -1.134 -10.679 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.355 0.031 -10.007 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.907 0.557 -12.488 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.993 1.496 -13.519 1.00 0.00 H new ATOM 273 N LYS A 21 -12.859 -1.226 -8.958 1.00 0.00 N ATOM 274 CA LYS A 21 -11.734 -0.793 -8.126 1.00 0.00 C ATOM 275 C LYS A 21 -11.910 -1.175 -6.657 1.00 0.00 C ATOM 276 O LYS A 21 -11.233 -0.624 -5.789 1.00 0.00 O ATOM 277 CB LYS A 21 -11.562 0.726 -8.239 1.00 0.00 C ATOM 278 CG LYS A 21 -12.243 1.327 -9.461 1.00 0.00 C ATOM 279 CD LYS A 21 -11.319 2.249 -10.227 1.00 0.00 C ATOM 280 CE LYS A 21 -10.768 1.575 -11.472 1.00 0.00 C ATOM 281 NZ LYS A 21 -10.918 2.434 -12.680 1.00 0.00 N ATOM 0 H LYS A 21 -13.519 -0.478 -9.169 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.846 -1.306 -8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.963 1.197 -7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.498 0.961 -8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.583 0.526 -10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.129 1.879 -9.148 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.858 3.153 -10.510 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.495 2.557 -9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.714 1.340 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.286 0.629 -11.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.530 1.939 -13.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.926 2.637 -12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.403 3.326 -12.538 1.00 0.00 H new ATOM 295 N GLN A 22 -12.812 -2.105 -6.372 1.00 0.00 N ATOM 296 CA GLN A 22 -13.055 -2.512 -4.988 1.00 0.00 C ATOM 297 C GLN A 22 -11.858 -3.235 -4.377 1.00 0.00 C ATOM 298 O GLN A 22 -11.357 -2.820 -3.333 1.00 0.00 O ATOM 299 CB GLN A 22 -14.319 -3.368 -4.878 1.00 0.00 C ATOM 300 CG GLN A 22 -14.264 -4.671 -5.658 1.00 0.00 C ATOM 301 CD GLN A 22 -14.285 -5.889 -4.757 1.00 0.00 C ATOM 302 OE1 GLN A 22 -14.088 -5.784 -3.546 1.00 0.00 O ATOM 303 NE2 GLN A 22 -14.525 -7.056 -5.344 1.00 0.00 N ATOM 0 H GLN A 22 -13.382 -2.588 -7.067 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.206 -1.598 -4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.499 -3.595 -3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -15.170 -2.784 -5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.110 -4.716 -6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -13.360 -4.689 -6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.683 -7.098 -6.351 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.551 -7.911 -4.788 1.00 0.00 H new ATOM 312 N MET A 23 -11.393 -4.307 -5.009 1.00 0.00 N ATOM 313 CA MET A 23 -10.254 -5.045 -4.481 1.00 0.00 C ATOM 314 C MET A 23 -9.017 -4.150 -4.445 1.00 0.00 C ATOM 315 O MET A 23 -8.758 -3.488 -3.444 1.00 0.00 O ATOM 316 CB MET A 23 -9.991 -6.309 -5.313 1.00 0.00 C ATOM 317 CG MET A 23 -11.180 -7.254 -5.387 1.00 0.00 C ATOM 318 SD MET A 23 -11.190 -8.471 -4.056 1.00 0.00 S ATOM 319 CE MET A 23 -9.781 -9.484 -4.501 1.00 0.00 C ATOM 0 H MET A 23 -11.781 -4.680 -5.875 1.00 0.00 H new ATOM 0 HA MET A 23 -10.484 -5.357 -3.462 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.709 -6.015 -6.324 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.141 -6.842 -4.887 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.102 -6.674 -5.350 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.168 -7.772 -6.346 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.353 -9.928 -3.602 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.101 -10.275 -5.179 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.030 -8.866 -4.993 1.00 0.00 H new ATOM 329 N LEU A 24 -8.251 -4.146 -5.532 1.00 0.00 N ATOM 330 CA LEU A 24 -7.028 -3.341 -5.630 1.00 0.00 C ATOM 331 C LEU A 24 -7.306 -1.837 -5.535 1.00 0.00 C ATOM 332 O LEU A 24 -6.890 -1.084 -6.419 1.00 0.00 O ATOM 333 CB LEU A 24 -6.281 -3.634 -6.953 1.00 0.00 C ATOM 334 CG LEU A 24 -6.944 -4.637 -7.904 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.154 -4.014 -8.588 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.941 -5.127 -8.937 1.00 0.00 C ATOM 0 H LEU A 24 -8.455 -4.695 -6.367 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.406 -3.626 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.150 -2.693 -7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.285 -4.003 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.287 -5.491 -7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.609 -4.743 -9.258 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.881 -3.710 -7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.839 -3.142 -9.161 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.425 -5.839 -9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.571 -4.280 -9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.107 -5.614 -8.432 1.00 0.00 H new ATOM 348 N GLY A 25 -8.000 -1.382 -4.480 1.00 0.00 N ATOM 349 CA GLY A 25 -8.290 0.037 -4.356 1.00 0.00 C ATOM 350 C GLY A 25 -8.471 0.697 -5.709 1.00 0.00 C ATOM 351 O GLY A 25 -9.011 0.088 -6.635 1.00 0.00 O ATOM 0 H GLY A 25 -8.358 -1.966 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.194 0.172 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.479 0.528 -3.818 1.00 0.00 H new ATOM 355 N GLU A 26 -7.983 1.920 -5.844 1.00 0.00 N ATOM 356 CA GLU A 26 -8.054 2.622 -7.121 1.00 0.00 C ATOM 357 C GLU A 26 -7.033 2.006 -8.078 1.00 0.00 C ATOM 358 O GLU A 26 -7.362 1.139 -8.888 1.00 0.00 O ATOM 359 CB GLU A 26 -7.816 4.137 -6.960 1.00 0.00 C ATOM 360 CG GLU A 26 -7.469 4.583 -5.542 1.00 0.00 C ATOM 361 CD GLU A 26 -8.669 4.580 -4.614 1.00 0.00 C ATOM 362 OE1 GLU A 26 -9.187 3.485 -4.307 1.00 0.00 O ATOM 363 OE2 GLU A 26 -9.085 5.675 -4.183 1.00 0.00 O ATOM 0 H GLU A 26 -7.536 2.446 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.058 2.508 -7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.008 4.437 -7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.711 4.668 -7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.701 3.925 -5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.044 5.586 -5.575 1.00 0.00 H new ATOM 370 N ARG A 27 -5.787 2.467 -7.966 1.00 0.00 N ATOM 371 CA ARG A 27 -4.689 1.978 -8.802 1.00 0.00 C ATOM 372 C ARG A 27 -3.375 1.933 -8.019 1.00 0.00 C ATOM 373 O ARG A 27 -2.296 1.890 -8.610 1.00 0.00 O ATOM 374 CB ARG A 27 -4.491 2.863 -10.041 1.00 0.00 C ATOM 375 CG ARG A 27 -5.765 3.480 -10.598 1.00 0.00 C ATOM 376 CD ARG A 27 -6.351 2.620 -11.705 1.00 0.00 C ATOM 377 NE ARG A 27 -5.749 2.925 -13.004 1.00 0.00 N ATOM 378 CZ ARG A 27 -5.375 2.007 -13.894 1.00 0.00 C ATOM 379 NH1 ARG A 27 -5.543 0.714 -13.646 1.00 0.00 N ATOM 380 NH2 ARG A 27 -4.834 2.385 -15.044 1.00 0.00 N ATOM 0 H ARG A 27 -5.511 3.186 -7.297 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.961 0.971 -9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.796 3.664 -9.790 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.021 2.267 -10.824 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.496 3.596 -9.798 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.552 4.477 -10.982 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.194 1.567 -11.470 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.428 2.778 -11.757 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.606 3.906 -13.244 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.963 0.414 -12.766 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.253 0.021 -14.335 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.705 3.377 -15.245 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.547 1.684 -15.727 1.00 0.00 H new ATOM 394 N LEU A 28 -3.463 1.941 -6.693 1.00 0.00 N ATOM 395 CA LEU A 28 -2.268 1.909 -5.853 1.00 0.00 C ATOM 396 C LEU A 28 -1.662 0.519 -5.796 1.00 0.00 C ATOM 397 O LEU A 28 -0.454 0.350 -5.950 1.00 0.00 O ATOM 398 CB LEU A 28 -2.602 2.339 -4.431 1.00 0.00 C ATOM 399 CG LEU A 28 -2.906 3.814 -4.238 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.308 4.063 -2.804 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.712 4.677 -4.623 1.00 0.00 C ATOM 0 H LEU A 28 -4.343 1.969 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.550 2.597 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.463 1.763 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.765 2.073 -3.786 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.732 4.090 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.526 5.122 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.195 3.476 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.493 3.771 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.960 5.728 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.857 4.414 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.463 4.508 -5.671 1.00 0.00 H new ATOM 413 N PHE A 29 -2.514 -0.472 -5.563 1.00 0.00 N ATOM 414 CA PHE A 29 -2.075 -1.856 -5.470 1.00 0.00 C ATOM 415 C PHE A 29 -1.127 -2.194 -6.618 1.00 0.00 C ATOM 416 O PHE A 29 -0.034 -2.698 -6.391 1.00 0.00 O ATOM 417 CB PHE A 29 -3.295 -2.788 -5.460 1.00 0.00 C ATOM 418 CG PHE A 29 -3.154 -4.046 -4.636 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.189 -4.180 -3.641 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.009 -5.113 -4.873 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.098 -5.356 -2.913 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.913 -6.279 -4.149 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.957 -6.402 -3.169 1.00 0.00 C ATOM 0 H PHE A 29 -3.517 -0.340 -5.435 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.528 -1.997 -4.538 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.154 -2.228 -5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.520 -3.073 -6.488 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.510 -3.366 -3.436 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.764 -5.026 -5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.349 -5.453 -2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.588 -7.097 -4.351 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.879 -7.317 -2.601 1.00 0.00 H new ATOM 433 N PRO A 30 -1.526 -1.895 -7.866 1.00 0.00 N ATOM 434 CA PRO A 30 -0.694 -2.153 -9.046 1.00 0.00 C ATOM 435 C PRO A 30 0.664 -1.459 -8.962 1.00 0.00 C ATOM 436 O PRO A 30 1.695 -2.050 -9.281 1.00 0.00 O ATOM 437 CB PRO A 30 -1.506 -1.568 -10.208 1.00 0.00 C ATOM 438 CG PRO A 30 -2.903 -1.450 -9.706 1.00 0.00 C ATOM 439 CD PRO A 30 -2.810 -1.269 -8.218 1.00 0.00 C ATOM 0 HA PRO A 30 -0.476 -3.216 -9.153 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.115 -0.596 -10.508 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.458 -2.215 -11.084 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.411 -0.603 -10.168 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.480 -2.341 -9.953 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.830 -0.215 -7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.643 -1.749 -7.704 1.00 0.00 H new ATOM 447 N LEU A 31 0.653 -0.192 -8.554 1.00 0.00 N ATOM 448 CA LEU A 31 1.888 0.592 -8.452 1.00 0.00 C ATOM 449 C LEU A 31 2.771 0.102 -7.319 1.00 0.00 C ATOM 450 O LEU A 31 3.971 -0.161 -7.488 1.00 0.00 O ATOM 451 CB LEU A 31 1.557 2.062 -8.221 1.00 0.00 C ATOM 452 CG LEU A 31 0.480 2.628 -9.135 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.161 3.864 -8.520 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.073 2.947 -10.492 1.00 0.00 C ATOM 0 H LEU A 31 -0.192 0.315 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 31 2.429 0.471 -9.391 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.239 2.189 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.467 2.649 -8.349 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.301 1.878 -9.260 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.927 4.249 -9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.616 3.601 -7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.600 4.628 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.297 3.352 -11.142 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.870 3.682 -10.377 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.479 2.037 -10.935 1.00 0.00 H new ATOM 466 N ILE A 32 2.172 -0.036 -6.157 1.00 0.00 N ATOM 467 CA ILE A 32 2.913 -0.495 -5.013 1.00 0.00 C ATOM 468 C ILE A 32 3.332 -1.936 -5.225 1.00 0.00 C ATOM 469 O ILE A 32 4.451 -2.310 -4.894 1.00 0.00 O ATOM 470 CB ILE A 32 2.130 -0.353 -3.710 1.00 0.00 C ATOM 471 CG1 ILE A 32 3.092 -0.603 -2.545 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.936 -1.301 -3.704 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.268 -2.061 -2.197 1.00 0.00 C ATOM 0 H ILE A 32 1.186 0.161 -5.984 1.00 0.00 H new ATOM 0 HA ILE A 32 3.796 0.137 -4.917 1.00 0.00 H new ATOM 0 HB ILE A 32 1.720 0.652 -3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.065 -0.179 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.728 -0.071 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.387 -1.189 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.279 -1.064 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.287 -2.329 -3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.964 -2.155 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.305 -2.487 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.663 -2.596 -3.061 1.00 0.00 H new ATOM 485 N GLN A 33 2.449 -2.734 -5.823 1.00 0.00 N ATOM 486 CA GLN A 33 2.777 -4.119 -6.125 1.00 0.00 C ATOM 487 C GLN A 33 4.172 -4.171 -6.745 1.00 0.00 C ATOM 488 O GLN A 33 4.989 -5.035 -6.420 1.00 0.00 O ATOM 489 CB GLN A 33 1.762 -4.716 -7.102 1.00 0.00 C ATOM 490 CG GLN A 33 1.481 -6.190 -6.874 1.00 0.00 C ATOM 491 CD GLN A 33 0.724 -6.819 -8.028 1.00 0.00 C ATOM 492 OE1 GLN A 33 1.181 -6.562 -9.249 1.00 0.00 O flip ATOM 493 NE2 GLN A 33 -0.261 -7.528 -7.825 1.00 0.00 N flip ATOM 0 H GLN A 33 1.512 -2.446 -6.104 1.00 0.00 H new ATOM 0 HA GLN A 33 2.750 -4.700 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.827 -4.162 -7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.128 -4.579 -8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.423 -6.719 -6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.905 -6.310 -5.957 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.578 -7.699 -6.871 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.760 -7.944 -8.611 1.00 0.00 H new ATOM 502 N ALA A 34 4.425 -3.218 -7.644 1.00 0.00 N ATOM 503 CA ALA A 34 5.706 -3.110 -8.335 1.00 0.00 C ATOM 504 C ALA A 34 6.858 -2.920 -7.357 1.00 0.00 C ATOM 505 O ALA A 34 7.978 -3.366 -7.604 1.00 0.00 O ATOM 506 CB ALA A 34 5.665 -1.964 -9.336 1.00 0.00 C ATOM 0 H ALA A 34 3.749 -2.503 -7.911 1.00 0.00 H new ATOM 0 HA ALA A 34 5.879 -4.045 -8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.626 -1.892 -9.846 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.878 -2.148 -10.068 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.462 -1.030 -8.812 1.00 0.00 H new ATOM 512 N MET A 35 6.573 -2.249 -6.258 1.00 0.00 N ATOM 513 CA MET A 35 7.594 -1.982 -5.233 1.00 0.00 C ATOM 514 C MET A 35 7.495 -2.973 -4.068 1.00 0.00 C ATOM 515 O MET A 35 8.475 -3.632 -3.716 1.00 0.00 O ATOM 516 CB MET A 35 7.460 -0.548 -4.715 1.00 0.00 C ATOM 517 CG MET A 35 7.306 0.485 -5.820 1.00 0.00 C ATOM 518 SD MET A 35 8.890 1.017 -6.499 1.00 0.00 S ATOM 519 CE MET A 35 8.624 0.735 -8.249 1.00 0.00 C ATOM 0 H MET A 35 5.649 -1.875 -6.041 1.00 0.00 H new ATOM 0 HA MET A 35 8.572 -2.108 -5.697 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.598 -0.489 -4.051 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.339 -0.302 -4.119 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.694 0.068 -6.620 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.773 1.352 -5.430 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.519 1.018 -8.803 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.410 -0.320 -8.419 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.781 1.336 -8.590 1.00 0.00 H new ATOM 529 N HIS A 36 6.306 -3.091 -3.495 1.00 0.00 N ATOM 530 CA HIS A 36 6.054 -4.023 -2.393 1.00 0.00 C ATOM 531 C HIS A 36 6.930 -3.769 -1.168 1.00 0.00 C ATOM 532 O HIS A 36 7.446 -4.714 -0.567 1.00 0.00 O ATOM 533 CB HIS A 36 6.247 -5.458 -2.859 1.00 0.00 C ATOM 534 CG HIS A 36 4.978 -6.094 -3.313 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.725 -5.596 -3.375 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.898 -7.392 -3.766 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.914 -6.591 -3.861 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.647 -7.667 -4.091 1.00 0.00 N flip ATOM 0 H HIS A 36 5.489 -2.549 -3.775 1.00 0.00 H new ATOM 0 HA HIS A 36 5.021 -3.856 -2.089 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.969 -5.476 -3.675 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.671 -6.045 -2.045 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.728 -8.078 -3.844 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.850 -6.508 -4.028 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.306 -8.556 -4.456 1.00 0.00 H new ATOM 546 N PRO A 37 7.092 -2.512 -0.748 1.00 0.00 N ATOM 547 CA PRO A 37 7.883 -2.207 0.436 1.00 0.00 C ATOM 548 C PRO A 37 7.288 -2.879 1.671 1.00 0.00 C ATOM 549 O PRO A 37 7.839 -3.853 2.187 1.00 0.00 O ATOM 550 CB PRO A 37 7.811 -0.680 0.551 1.00 0.00 C ATOM 551 CG PRO A 37 6.643 -0.272 -0.282 1.00 0.00 C ATOM 552 CD PRO A 37 6.506 -1.311 -1.357 1.00 0.00 C ATOM 0 HA PRO A 37 8.908 -2.570 0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.681 -0.370 1.588 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.730 -0.216 0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.737 -0.215 0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.801 0.716 -0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.463 -1.469 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.036 -1.022 -2.265 1.00 0.00 H new ATOM 560 N THR A 38 6.177 -2.332 2.158 1.00 0.00 N ATOM 561 CA THR A 38 5.519 -2.854 3.354 1.00 0.00 C ATOM 562 C THR A 38 4.409 -3.846 3.005 1.00 0.00 C ATOM 563 O THR A 38 4.500 -5.030 3.334 1.00 0.00 O ATOM 564 CB THR A 38 4.951 -1.698 4.190 1.00 0.00 C ATOM 565 OG1 THR A 38 3.726 -1.236 3.647 1.00 0.00 O ATOM 566 CG2 THR A 38 5.882 -0.507 4.288 1.00 0.00 C ATOM 0 H THR A 38 5.712 -1.525 1.742 1.00 0.00 H new ATOM 0 HA THR A 38 6.268 -3.389 3.937 1.00 0.00 H new ATOM 0 HB THR A 38 4.812 -2.114 5.188 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.051 -1.190 4.356 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.416 0.271 4.893 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.819 -0.815 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.082 -0.119 3.289 1.00 0.00 H new ATOM 574 N LEU A 39 3.354 -3.359 2.355 1.00 0.00 N ATOM 575 CA LEU A 39 2.225 -4.211 1.985 1.00 0.00 C ATOM 576 C LEU A 39 1.331 -3.526 0.953 1.00 0.00 C ATOM 577 O LEU A 39 0.592 -2.599 1.280 1.00 0.00 O ATOM 578 CB LEU A 39 1.399 -4.557 3.227 1.00 0.00 C ATOM 579 CG LEU A 39 1.760 -5.881 3.909 1.00 0.00 C ATOM 580 CD1 LEU A 39 2.292 -5.634 5.314 1.00 0.00 C ATOM 581 CD2 LEU A 39 0.549 -6.808 3.953 1.00 0.00 C ATOM 0 H LEU A 39 3.257 -2.383 2.074 1.00 0.00 H new ATOM 0 HA LEU A 39 2.625 -5.124 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.511 -3.752 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.346 -4.588 2.945 1.00 0.00 H new ATOM 0 HG LEU A 39 2.544 -6.364 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.542 -6.587 5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.184 -5.010 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.531 -5.128 5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.824 -7.743 4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.255 -6.330 4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.211 -7.014 2.937 1.00 0.00 H new ATOM 593 N ALA A 40 1.386 -4.002 -0.285 1.00 0.00 N ATOM 594 CA ALA A 40 0.573 -3.453 -1.371 1.00 0.00 C ATOM 595 C ALA A 40 -0.892 -3.267 -0.966 1.00 0.00 C ATOM 596 O ALA A 40 -1.461 -2.198 -1.176 1.00 0.00 O ATOM 597 CB ALA A 40 0.727 -4.342 -2.605 1.00 0.00 C ATOM 0 H ALA A 40 1.990 -4.774 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 40 0.933 -2.452 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.125 -3.941 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.774 -4.368 -2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.392 -5.352 -2.370 1.00 0.00 H new ATOM 603 N GLY A 41 -1.509 -4.300 -0.404 1.00 0.00 N ATOM 604 CA GLY A 41 -2.905 -4.198 -0.008 1.00 0.00 C ATOM 605 C GLY A 41 -3.164 -3.064 0.973 1.00 0.00 C ATOM 606 O GLY A 41 -3.969 -2.171 0.707 1.00 0.00 O ATOM 0 H GLY A 41 -1.072 -5.202 -0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.519 -4.050 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.219 -5.140 0.443 1.00 0.00 H new ATOM 610 N LYS A 42 -2.495 -3.122 2.116 1.00 0.00 N ATOM 611 CA LYS A 42 -2.660 -2.111 3.161 1.00 0.00 C ATOM 612 C LYS A 42 -2.148 -0.742 2.712 1.00 0.00 C ATOM 613 O LYS A 42 -2.758 0.291 3.002 1.00 0.00 O ATOM 614 CB LYS A 42 -1.933 -2.550 4.432 1.00 0.00 C ATOM 615 CG LYS A 42 -2.872 -3.015 5.531 1.00 0.00 C ATOM 616 CD LYS A 42 -2.810 -2.098 6.741 1.00 0.00 C ATOM 617 CE LYS A 42 -3.760 -2.555 7.835 1.00 0.00 C ATOM 618 NZ LYS A 42 -4.857 -1.575 8.057 1.00 0.00 N ATOM 0 H LYS A 42 -1.830 -3.860 2.347 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.727 -2.015 3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.243 -3.358 4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.332 -1.720 4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.893 -3.047 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.611 -4.030 5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.792 -2.074 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.061 -1.081 6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.185 -3.522 7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.205 -2.697 8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.341 -1.792 8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.461 -0.615 8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.537 -1.632 7.273 1.00 0.00 H new ATOM 632 N ILE A 43 -1.027 -0.735 2.004 1.00 0.00 N ATOM 633 CA ILE A 43 -0.442 0.509 1.518 1.00 0.00 C ATOM 634 C ILE A 43 -1.449 1.280 0.678 1.00 0.00 C ATOM 635 O ILE A 43 -1.536 2.505 0.750 1.00 0.00 O ATOM 636 CB ILE A 43 0.830 0.238 0.689 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.839 1.364 0.874 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.507 0.053 -0.785 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.249 0.855 1.049 1.00 0.00 C ATOM 0 H ILE A 43 -0.505 -1.574 1.753 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.168 1.108 2.386 1.00 0.00 H new ATOM 0 HB ILE A 43 1.269 -0.691 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.800 2.027 0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.560 1.958 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.427 -0.136 -1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.169 -0.793 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.031 0.955 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.927 1.699 1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.298 0.214 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.542 0.284 0.168 1.00 0.00 H new ATOM 651 N THR A 44 -2.213 0.543 -0.117 1.00 0.00 N ATOM 652 CA THR A 44 -3.225 1.135 -0.979 1.00 0.00 C ATOM 653 C THR A 44 -4.113 2.070 -0.176 1.00 0.00 C ATOM 654 O THR A 44 -4.309 3.228 -0.536 1.00 0.00 O ATOM 655 CB THR A 44 -4.070 0.045 -1.633 1.00 0.00 C ATOM 656 OG1 THR A 44 -3.246 -0.897 -2.300 1.00 0.00 O ATOM 657 CG2 THR A 44 -5.061 0.583 -2.636 1.00 0.00 C ATOM 0 H THR A 44 -2.149 -0.473 -0.182 1.00 0.00 H new ATOM 0 HA THR A 44 -2.725 1.706 -1.761 1.00 0.00 H new ATOM 0 HB THR A 44 -4.621 -0.424 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.976 -1.598 -1.671 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.630 -0.242 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.742 1.274 -2.140 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.528 1.106 -3.430 1.00 0.00 H new ATOM 665 N GLY A 45 -4.629 1.571 0.937 1.00 0.00 N ATOM 666 CA GLY A 45 -5.462 2.397 1.780 1.00 0.00 C ATOM 667 C GLY A 45 -4.732 3.651 2.204 1.00 0.00 C ATOM 668 O GLY A 45 -5.346 4.671 2.513 1.00 0.00 O ATOM 0 H GLY A 45 -4.487 0.617 1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.373 2.666 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.765 1.833 2.662 1.00 0.00 H new ATOM 672 N MET A 46 -3.406 3.568 2.213 1.00 0.00 N ATOM 673 CA MET A 46 -2.571 4.690 2.602 1.00 0.00 C ATOM 674 C MET A 46 -2.531 5.777 1.535 1.00 0.00 C ATOM 675 O MET A 46 -3.036 6.878 1.751 1.00 0.00 O ATOM 676 CB MET A 46 -1.152 4.225 2.906 1.00 0.00 C ATOM 677 CG MET A 46 -0.391 5.214 3.763 1.00 0.00 C ATOM 678 SD MET A 46 0.740 6.244 2.816 1.00 0.00 S ATOM 679 CE MET A 46 1.460 7.233 4.118 1.00 0.00 C ATOM 0 H MET A 46 -2.888 2.729 1.953 1.00 0.00 H new ATOM 0 HA MET A 46 -3.018 5.116 3.500 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.190 3.262 3.414 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.615 4.071 1.970 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.101 5.853 4.288 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.171 4.671 4.522 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.209 8.282 3.959 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.068 6.908 5.081 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.543 7.114 4.109 1.00 0.00 H new ATOM 689 N LEU A 47 -1.888 5.493 0.398 1.00 0.00 N ATOM 690 CA LEU A 47 -1.760 6.496 -0.643 1.00 0.00 C ATOM 691 C LEU A 47 -3.134 6.989 -1.083 1.00 0.00 C ATOM 692 O LEU A 47 -3.238 8.054 -1.693 1.00 0.00 O ATOM 693 CB LEU A 47 -0.992 5.953 -1.860 1.00 0.00 C ATOM 694 CG LEU A 47 0.468 5.540 -1.659 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.409 6.666 -2.087 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.762 5.104 -0.238 1.00 0.00 C ATOM 0 H LEU A 47 -1.458 4.593 0.185 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.194 7.328 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.535 5.088 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.020 6.714 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 47 0.642 4.672 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.442 6.354 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.248 6.894 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.208 7.555 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.812 4.822 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.551 5.926 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.135 4.249 0.017 1.00 0.00 H new ATOM 708 N LEU A 48 -4.193 6.210 -0.809 1.00 0.00 N ATOM 709 CA LEU A 48 -5.556 6.583 -1.222 1.00 0.00 C ATOM 710 C LEU A 48 -6.003 7.948 -0.679 1.00 0.00 C ATOM 711 O LEU A 48 -7.191 8.267 -0.709 1.00 0.00 O ATOM 712 CB LEU A 48 -6.569 5.500 -0.805 1.00 0.00 C ATOM 713 CG LEU A 48 -7.358 4.873 -1.965 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.477 3.920 -2.745 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.601 4.141 -1.470 1.00 0.00 C ATOM 0 H LEU A 48 -4.133 5.324 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.528 6.664 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.037 4.709 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.275 5.936 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.682 5.684 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.049 3.483 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.622 4.463 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.125 3.127 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.132 3.711 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.306 3.345 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.254 4.843 -0.951 1.00 0.00 H new ATOM 727 N GLU A 49 -5.062 8.763 -0.212 1.00 0.00 N ATOM 728 CA GLU A 49 -5.390 10.089 0.290 1.00 0.00 C ATOM 729 C GLU A 49 -5.705 11.026 -0.877 1.00 0.00 C ATOM 730 O GLU A 49 -6.160 12.152 -0.674 1.00 0.00 O ATOM 731 CB GLU A 49 -4.218 10.655 1.096 1.00 0.00 C ATOM 732 CG GLU A 49 -2.947 10.822 0.276 1.00 0.00 C ATOM 733 CD GLU A 49 -2.517 12.272 0.150 1.00 0.00 C ATOM 734 OE1 GLU A 49 -1.908 12.796 1.105 1.00 0.00 O ATOM 735 OE2 GLU A 49 -2.790 12.880 -0.906 1.00 0.00 O ATOM 0 H GLU A 49 -4.070 8.528 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.264 10.010 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.504 11.622 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.014 9.995 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.144 10.248 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.104 10.406 -0.719 1.00 0.00 H new ATOM 742 N ILE A 50 -5.446 10.556 -2.101 1.00 0.00 N ATOM 743 CA ILE A 50 -5.685 11.352 -3.301 1.00 0.00 C ATOM 744 C ILE A 50 -6.889 10.822 -4.098 1.00 0.00 C ATOM 745 O ILE A 50 -7.402 9.740 -3.816 1.00 0.00 O ATOM 746 CB ILE A 50 -4.412 11.384 -4.183 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.382 12.623 -5.088 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.294 10.112 -5.012 1.00 0.00 C ATOM 749 CD1 ILE A 50 -4.815 13.907 -4.409 1.00 0.00 C ATOM 0 H ILE A 50 -5.070 9.626 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.922 12.369 -2.990 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.553 11.442 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.370 12.753 -5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.028 12.445 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.392 10.158 -5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.239 9.249 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.166 10.017 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.763 14.731 -5.121 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.839 13.801 -4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.155 14.114 -3.567 1.00 0.00 H new ATOM 761 N ASP A 51 -7.315 11.583 -5.110 1.00 0.00 N ATOM 762 CA ASP A 51 -8.433 11.193 -5.972 1.00 0.00 C ATOM 763 C ASP A 51 -8.032 10.072 -6.938 1.00 0.00 C ATOM 764 O ASP A 51 -6.879 10.003 -7.365 1.00 0.00 O ATOM 765 CB ASP A 51 -8.937 12.409 -6.754 1.00 0.00 C ATOM 766 CG ASP A 51 -10.258 12.933 -6.226 1.00 0.00 C ATOM 767 OD1 ASP A 51 -10.267 13.520 -5.123 1.00 0.00 O ATOM 768 OD2 ASP A 51 -11.284 12.758 -6.916 1.00 0.00 O ATOM 0 H ASP A 51 -6.897 12.481 -5.353 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.233 10.814 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.191 13.202 -6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.050 12.140 -7.804 1.00 0.00 H new ATOM 773 N ASN A 52 -8.986 9.208 -7.299 1.00 0.00 N ATOM 774 CA ASN A 52 -8.702 8.117 -8.240 1.00 0.00 C ATOM 775 C ASN A 52 -7.986 8.645 -9.487 1.00 0.00 C ATOM 776 O ASN A 52 -7.287 7.903 -10.181 1.00 0.00 O ATOM 777 CB ASN A 52 -9.988 7.399 -8.672 1.00 0.00 C ATOM 778 CG ASN A 52 -9.695 6.065 -9.350 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.737 5.279 -9.612 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.542 5.745 -9.638 1.00 0.00 N flip ATOM 0 H ASN A 52 -9.948 9.240 -6.961 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.057 7.408 -7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.621 7.232 -7.800 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.548 8.038 -9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.769 6.374 -9.421 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.360 4.851 -10.093 1.00 0.00 H new ATOM 787 N SER A 53 -8.195 9.927 -9.782 1.00 0.00 N ATOM 788 CA SER A 53 -7.608 10.559 -10.962 1.00 0.00 C ATOM 789 C SER A 53 -6.091 10.707 -10.875 1.00 0.00 C ATOM 790 O SER A 53 -5.418 10.784 -11.900 1.00 0.00 O ATOM 791 CB SER A 53 -8.237 11.933 -11.189 1.00 0.00 C ATOM 792 OG SER A 53 -7.774 12.510 -12.396 1.00 0.00 O ATOM 0 H SER A 53 -8.770 10.551 -9.216 1.00 0.00 H new ATOM 0 HA SER A 53 -7.820 9.897 -11.802 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.323 11.839 -11.220 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.997 12.589 -10.353 1.00 0.00 H new ATOM 0 HG SER A 53 -8.192 13.388 -12.520 1.00 0.00 H new ATOM 798 N GLU A 54 -5.549 10.768 -9.667 1.00 0.00 N ATOM 799 CA GLU A 54 -4.108 10.933 -9.506 1.00 0.00 C ATOM 800 C GLU A 54 -3.367 9.637 -9.798 1.00 0.00 C ATOM 801 O GLU A 54 -2.304 9.643 -10.416 1.00 0.00 O ATOM 802 CB GLU A 54 -3.780 11.421 -8.096 1.00 0.00 C ATOM 803 CG GLU A 54 -2.819 12.599 -8.074 1.00 0.00 C ATOM 804 CD GLU A 54 -1.374 12.170 -7.900 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.046 11.602 -6.837 1.00 0.00 O ATOM 806 OE2 GLU A 54 -0.570 12.406 -8.827 1.00 0.00 O ATOM 0 H GLU A 54 -6.074 10.707 -8.795 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.777 11.682 -10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.704 11.706 -7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.348 10.598 -7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.918 13.161 -9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.094 13.273 -7.263 1.00 0.00 H new ATOM 813 N LEU A 55 -3.937 8.529 -9.350 1.00 0.00 N ATOM 814 CA LEU A 55 -3.337 7.219 -9.557 1.00 0.00 C ATOM 815 C LEU A 55 -3.228 6.893 -11.040 1.00 0.00 C ATOM 816 O LEU A 55 -2.254 6.280 -11.480 1.00 0.00 O ATOM 817 CB LEU A 55 -4.147 6.160 -8.821 1.00 0.00 C ATOM 818 CG LEU A 55 -4.520 6.552 -7.394 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.880 7.217 -7.358 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.497 5.344 -6.486 1.00 0.00 C ATOM 0 H LEU A 55 -4.819 8.511 -8.838 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.325 7.230 -9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.059 5.958 -9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.576 5.232 -8.796 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.780 7.267 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.125 7.488 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.862 8.115 -7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.632 6.528 -7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.766 5.645 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.212 4.604 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.497 4.911 -6.482 1.00 0.00 H new ATOM 832 N LEU A 56 -4.220 7.320 -11.813 1.00 0.00 N ATOM 833 CA LEU A 56 -4.215 7.086 -13.252 1.00 0.00 C ATOM 834 C LEU A 56 -3.053 7.835 -13.898 1.00 0.00 C ATOM 835 O LEU A 56 -2.352 7.297 -14.757 1.00 0.00 O ATOM 836 CB LEU A 56 -5.539 7.540 -13.870 1.00 0.00 C ATOM 837 CG LEU A 56 -6.670 6.510 -13.808 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.927 7.126 -13.213 1.00 0.00 C ATOM 839 CD2 LEU A 56 -6.959 5.944 -15.191 1.00 0.00 C ATOM 0 H LEU A 56 -5.035 7.828 -11.469 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.094 6.018 -13.432 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.867 8.448 -13.363 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.364 7.803 -14.913 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.349 5.693 -13.162 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.718 6.377 -13.178 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.717 7.479 -12.203 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.249 7.965 -13.830 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.766 5.214 -15.124 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.255 6.752 -15.860 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.063 5.460 -15.581 1.00 0.00 H new ATOM 851 N HIS A 57 -2.854 9.077 -13.468 1.00 0.00 N ATOM 852 CA HIS A 57 -1.776 9.911 -13.988 1.00 0.00 C ATOM 853 C HIS A 57 -0.418 9.306 -13.657 1.00 0.00 C ATOM 854 O HIS A 57 0.441 9.168 -14.528 1.00 0.00 O ATOM 855 CB HIS A 57 -1.865 11.316 -13.395 1.00 0.00 C ATOM 856 CG HIS A 57 -2.748 12.240 -14.171 1.00 0.00 C ATOM 857 ND1 HIS A 57 -2.264 13.284 -14.929 1.00 0.00 N ATOM 858 CD2 HIS A 57 -4.095 12.280 -14.302 1.00 0.00 C ATOM 859 CE1 HIS A 57 -3.271 13.925 -15.492 1.00 0.00 C ATOM 860 NE2 HIS A 57 -4.396 13.335 -15.127 1.00 0.00 N ATOM 0 H HIS A 57 -3.428 9.530 -12.757 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.882 9.966 -15.071 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.236 11.247 -12.372 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.863 11.743 -13.343 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.802 11.606 -13.842 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.190 14.785 -16.140 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.334 13.617 -15.412 1.00 0.00 H new ATOM 868 N MET A 58 -0.231 8.953 -12.391 1.00 0.00 N ATOM 869 CA MET A 58 1.026 8.370 -11.944 1.00 0.00 C ATOM 870 C MET A 58 1.208 6.962 -12.500 1.00 0.00 C ATOM 871 O MET A 58 2.312 6.579 -12.884 1.00 0.00 O ATOM 872 CB MET A 58 1.106 8.343 -10.419 1.00 0.00 C ATOM 873 CG MET A 58 -0.087 7.697 -9.737 1.00 0.00 C ATOM 874 SD MET A 58 -0.218 8.171 -8.002 1.00 0.00 S ATOM 875 CE MET A 58 1.212 7.332 -7.331 1.00 0.00 C ATOM 0 H MET A 58 -0.932 9.060 -11.658 1.00 0.00 H new ATOM 0 HA MET A 58 1.831 8.999 -12.324 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.010 7.809 -10.125 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.207 9.365 -10.055 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.000 7.981 -10.260 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.002 6.613 -9.810 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.994 6.997 -6.317 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.454 6.471 -7.954 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.060 8.016 -7.313 1.00 0.00 H new ATOM 885 N LEU A 59 0.124 6.196 -12.544 1.00 0.00 N ATOM 886 CA LEU A 59 0.191 4.831 -13.053 1.00 0.00 C ATOM 887 C LEU A 59 0.680 4.830 -14.498 1.00 0.00 C ATOM 888 O LEU A 59 1.216 3.832 -14.982 1.00 0.00 O ATOM 889 CB LEU A 59 -1.180 4.154 -12.956 1.00 0.00 C ATOM 890 CG LEU A 59 -1.344 2.886 -13.800 1.00 0.00 C ATOM 891 CD1 LEU A 59 -2.088 1.813 -13.020 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.068 3.206 -15.100 1.00 0.00 C ATOM 0 H LEU A 59 -0.802 6.492 -12.237 1.00 0.00 H new ATOM 0 HA LEU A 59 0.898 4.268 -12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.370 3.903 -11.912 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.944 4.872 -13.256 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.353 2.502 -14.042 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.194 0.921 -13.638 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.529 1.565 -12.118 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.076 2.182 -12.745 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.177 2.296 -15.689 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.054 3.614 -14.877 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.492 3.938 -15.666 1.00 0.00 H new ATOM 904 N GLU A 60 0.512 5.959 -15.176 1.00 0.00 N ATOM 905 CA GLU A 60 0.958 6.094 -16.557 1.00 0.00 C ATOM 906 C GLU A 60 2.289 6.848 -16.624 1.00 0.00 C ATOM 907 O GLU A 60 2.829 7.074 -17.706 1.00 0.00 O ATOM 908 CB GLU A 60 -0.098 6.820 -17.393 1.00 0.00 C ATOM 909 CG GLU A 60 -1.303 5.960 -17.742 1.00 0.00 C ATOM 910 CD GLU A 60 -1.029 5.010 -18.892 1.00 0.00 C ATOM 911 OE1 GLU A 60 -0.176 5.338 -19.744 1.00 0.00 O ATOM 912 OE2 GLU A 60 -1.669 3.939 -18.941 1.00 0.00 O ATOM 0 H GLU A 60 0.070 6.794 -14.792 1.00 0.00 H new ATOM 0 HA GLU A 60 1.103 5.094 -16.966 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.438 7.700 -16.847 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.363 7.175 -18.315 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.601 5.386 -16.865 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.142 6.605 -18.001 1.00 0.00 H new ATOM 919 N SER A 61 2.811 7.231 -15.459 1.00 0.00 N ATOM 920 CA SER A 61 4.077 7.953 -15.379 1.00 0.00 C ATOM 921 C SER A 61 4.864 7.525 -14.138 1.00 0.00 C ATOM 922 O SER A 61 4.607 8.011 -13.037 1.00 0.00 O ATOM 923 CB SER A 61 3.825 9.462 -15.348 1.00 0.00 C ATOM 924 OG SER A 61 4.069 10.044 -16.616 1.00 0.00 O ATOM 0 H SER A 61 2.373 7.052 -14.555 1.00 0.00 H new ATOM 0 HA SER A 61 4.667 7.712 -16.263 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.796 9.656 -15.047 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.469 9.926 -14.601 1.00 0.00 H new ATOM 0 HG SER A 61 3.900 11.008 -16.571 1.00 0.00 H new ATOM 930 N PRO A 62 5.836 6.609 -14.294 1.00 0.00 N ATOM 931 CA PRO A 62 6.651 6.128 -13.173 1.00 0.00 C ATOM 932 C PRO A 62 7.267 7.271 -12.366 1.00 0.00 C ATOM 933 O PRO A 62 7.490 7.150 -11.161 1.00 0.00 O ATOM 934 CB PRO A 62 7.748 5.310 -13.856 1.00 0.00 C ATOM 935 CG PRO A 62 7.146 4.870 -15.145 1.00 0.00 C ATOM 936 CD PRO A 62 6.217 5.973 -15.570 1.00 0.00 C ATOM 0 HA PRO A 62 6.058 5.560 -12.456 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.643 5.909 -14.021 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.044 4.457 -13.246 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.917 4.699 -15.896 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.606 3.931 -15.022 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.710 6.678 -16.239 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.348 5.584 -16.101 1.00 0.00 H new ATOM 944 N GLU A 63 7.543 8.377 -13.047 1.00 0.00 N ATOM 945 CA GLU A 63 8.140 9.552 -12.418 1.00 0.00 C ATOM 946 C GLU A 63 7.282 10.065 -11.269 1.00 0.00 C ATOM 947 O GLU A 63 7.723 10.099 -10.121 1.00 0.00 O ATOM 948 CB GLU A 63 8.332 10.658 -13.457 1.00 0.00 C ATOM 949 CG GLU A 63 8.626 10.128 -14.849 1.00 0.00 C ATOM 950 CD GLU A 63 9.357 11.128 -15.724 1.00 0.00 C ATOM 951 OE1 GLU A 63 8.870 12.271 -15.856 1.00 0.00 O ATOM 952 OE2 GLU A 63 10.415 10.766 -16.279 1.00 0.00 O ATOM 0 H GLU A 63 7.361 8.486 -14.045 1.00 0.00 H new ATOM 0 HA GLU A 63 9.108 9.260 -12.011 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.433 11.274 -13.492 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.150 11.305 -13.142 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.224 9.221 -14.767 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.689 9.850 -15.331 1.00 0.00 H new ATOM 959 N SER A 64 6.051 10.457 -11.583 1.00 0.00 N ATOM 960 CA SER A 64 5.137 10.960 -10.569 1.00 0.00 C ATOM 961 C SER A 64 4.723 9.824 -9.652 1.00 0.00 C ATOM 962 O SER A 64 4.505 10.013 -8.457 1.00 0.00 O ATOM 963 CB SER A 64 3.906 11.591 -11.220 1.00 0.00 C ATOM 964 OG SER A 64 3.202 12.403 -10.296 1.00 0.00 O ATOM 0 H SER A 64 5.667 10.435 -12.528 1.00 0.00 H new ATOM 0 HA SER A 64 5.644 11.728 -9.985 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.211 12.191 -12.078 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.248 10.808 -11.596 1.00 0.00 H new ATOM 0 HG SER A 64 2.420 12.797 -10.736 1.00 0.00 H new ATOM 970 N LEU A 65 4.613 8.639 -10.237 1.00 0.00 N ATOM 971 CA LEU A 65 4.222 7.457 -9.493 1.00 0.00 C ATOM 972 C LEU A 65 5.172 7.232 -8.337 1.00 0.00 C ATOM 973 O LEU A 65 4.752 7.218 -7.180 1.00 0.00 O ATOM 974 CB LEU A 65 4.205 6.234 -10.414 1.00 0.00 C ATOM 975 CG LEU A 65 4.142 4.866 -9.723 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.528 4.420 -9.298 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.201 4.889 -8.524 1.00 0.00 C ATOM 0 H LEU A 65 4.790 8.474 -11.228 1.00 0.00 H new ATOM 0 HA LEU A 65 3.218 7.607 -9.096 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.348 6.320 -11.082 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.099 6.262 -11.037 1.00 0.00 H new ATOM 0 HG LEU A 65 3.747 4.150 -10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.464 3.448 -8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.171 4.344 -10.175 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.947 5.148 -8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.181 3.904 -8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.552 5.625 -7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.197 5.155 -8.855 1.00 0.00 H new ATOM 989 N ARG A 66 6.449 7.056 -8.634 1.00 0.00 N ATOM 990 CA ARG A 66 7.413 6.833 -7.572 1.00 0.00 C ATOM 991 C ARG A 66 7.380 7.977 -6.567 1.00 0.00 C ATOM 992 O ARG A 66 7.661 7.787 -5.390 1.00 0.00 O ATOM 993 CB ARG A 66 8.823 6.658 -8.138 1.00 0.00 C ATOM 994 CG ARG A 66 9.668 5.684 -7.335 1.00 0.00 C ATOM 995 CD ARG A 66 10.916 6.346 -6.775 1.00 0.00 C ATOM 996 NE ARG A 66 12.103 6.054 -7.580 1.00 0.00 N ATOM 997 CZ ARG A 66 13.279 5.680 -7.077 1.00 0.00 C ATOM 998 NH1 ARG A 66 13.450 5.561 -5.765 1.00 0.00 N ATOM 999 NH2 ARG A 66 14.295 5.431 -7.891 1.00 0.00 N ATOM 0 H ARG A 66 6.835 7.063 -9.578 1.00 0.00 H new ATOM 0 HA ARG A 66 7.138 5.912 -7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.754 6.307 -9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.321 7.627 -8.164 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.074 5.277 -6.516 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.955 4.845 -7.968 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.765 7.425 -6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.079 6.005 -5.753 1.00 0.00 H new ATOM 0 HE ARG A 66 12.025 6.143 -8.593 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.676 5.757 -5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.355 5.274 -5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.176 5.526 -8.900 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.196 5.145 -7.509 1.00 0.00 H new ATOM 1013 N SER A 67 7.025 9.162 -7.044 1.00 0.00 N ATOM 1014 CA SER A 67 6.950 10.344 -6.191 1.00 0.00 C ATOM 1015 C SER A 67 6.031 10.133 -4.987 1.00 0.00 C ATOM 1016 O SER A 67 6.381 10.486 -3.863 1.00 0.00 O ATOM 1017 CB SER A 67 6.456 11.539 -7.004 1.00 0.00 C ATOM 1018 OG SER A 67 6.837 12.763 -6.397 1.00 0.00 O ATOM 0 H SER A 67 6.783 9.332 -8.020 1.00 0.00 H new ATOM 0 HA SER A 67 7.954 10.534 -5.812 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.863 11.489 -8.014 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.371 11.497 -7.095 1.00 0.00 H new ATOM 0 HG SER A 67 6.510 13.512 -6.938 1.00 0.00 H new ATOM 1024 N LYS A 68 4.850 9.579 -5.228 1.00 0.00 N ATOM 1025 CA LYS A 68 3.881 9.358 -4.156 1.00 0.00 C ATOM 1026 C LYS A 68 4.186 8.094 -3.360 1.00 0.00 C ATOM 1027 O LYS A 68 4.196 8.115 -2.130 1.00 0.00 O ATOM 1028 CB LYS A 68 2.461 9.283 -4.726 1.00 0.00 C ATOM 1029 CG LYS A 68 2.232 10.180 -5.935 1.00 0.00 C ATOM 1030 CD LYS A 68 2.409 11.652 -5.586 1.00 0.00 C ATOM 1031 CE LYS A 68 1.403 12.108 -4.537 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.487 13.155 -5.064 1.00 0.00 N ATOM 0 H LYS A 68 4.538 9.275 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 68 3.956 10.206 -3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.247 8.252 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.752 9.555 -3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.929 9.908 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.227 10.017 -6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.421 11.819 -5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.295 12.256 -6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.819 11.252 -4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.935 12.495 -3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.042 13.582 -4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.042 13.890 -5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.180 12.726 -5.737 1.00 0.00 H new ATOM 1046 N VAL A 69 4.428 6.998 -4.062 1.00 0.00 N ATOM 1047 CA VAL A 69 4.729 5.727 -3.413 1.00 0.00 C ATOM 1048 C VAL A 69 5.927 5.838 -2.485 1.00 0.00 C ATOM 1049 O VAL A 69 5.854 5.454 -1.317 1.00 0.00 O ATOM 1050 CB VAL A 69 5.007 4.630 -4.448 1.00 0.00 C ATOM 1051 CG1 VAL A 69 5.108 3.277 -3.765 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.925 4.632 -5.515 1.00 0.00 C ATOM 0 H VAL A 69 4.422 6.961 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 69 3.849 5.463 -2.826 1.00 0.00 H new ATOM 0 HB VAL A 69 5.961 4.831 -4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.305 2.507 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.921 3.296 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.170 3.056 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.132 3.849 -6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.956 4.448 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.910 5.600 -6.016 1.00 0.00 H new ATOM 1062 N ASP A 70 7.025 6.365 -3.002 1.00 0.00 N ATOM 1063 CA ASP A 70 8.237 6.524 -2.203 1.00 0.00 C ATOM 1064 C ASP A 70 7.912 7.272 -0.920 1.00 0.00 C ATOM 1065 O ASP A 70 8.146 6.784 0.185 1.00 0.00 O ATOM 1066 CB ASP A 70 9.310 7.278 -2.991 1.00 0.00 C ATOM 1067 CG ASP A 70 10.496 6.403 -3.341 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.391 5.168 -3.188 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.533 6.953 -3.770 1.00 0.00 O ATOM 0 H ASP A 70 7.106 6.689 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 70 8.624 5.535 -1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.872 7.674 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.653 8.132 -2.406 1.00 0.00 H new ATOM 1074 N GLU A 71 7.346 8.459 -1.094 1.00 0.00 N ATOM 1075 CA GLU A 71 6.951 9.309 0.018 1.00 0.00 C ATOM 1076 C GLU A 71 6.161 8.515 1.052 1.00 0.00 C ATOM 1077 O GLU A 71 6.521 8.478 2.227 1.00 0.00 O ATOM 1078 CB GLU A 71 6.124 10.465 -0.533 1.00 0.00 C ATOM 1079 CG GLU A 71 6.966 11.531 -1.226 1.00 0.00 C ATOM 1080 CD GLU A 71 8.144 11.997 -0.392 1.00 0.00 C ATOM 1081 OE1 GLU A 71 9.180 11.298 -0.383 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.031 13.062 0.250 1.00 0.00 O ATOM 0 H GLU A 71 7.148 8.859 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 71 7.836 9.698 0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.391 10.074 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.567 10.925 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.333 11.136 -2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.334 12.388 -1.462 1.00 0.00 H new ATOM 1089 N ALA A 72 5.084 7.878 0.614 1.00 0.00 N ATOM 1090 CA ALA A 72 4.255 7.082 1.514 1.00 0.00 C ATOM 1091 C ALA A 72 5.099 6.109 2.322 1.00 0.00 C ATOM 1092 O ALA A 72 4.919 5.972 3.530 1.00 0.00 O ATOM 1093 CB ALA A 72 3.218 6.313 0.731 1.00 0.00 C ATOM 0 H ALA A 72 4.763 7.895 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 72 3.759 7.769 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.608 5.724 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.582 7.011 0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.715 5.648 0.025 1.00 0.00 H new ATOM 1099 N VAL A 73 6.018 5.430 1.645 1.00 0.00 N ATOM 1100 CA VAL A 73 6.883 4.461 2.308 1.00 0.00 C ATOM 1101 C VAL A 73 7.517 5.095 3.531 1.00 0.00 C ATOM 1102 O VAL A 73 7.688 4.446 4.558 1.00 0.00 O ATOM 1103 CB VAL A 73 7.990 3.947 1.368 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.873 2.925 2.076 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.378 3.351 0.111 1.00 0.00 C ATOM 0 H VAL A 73 6.183 5.531 0.644 1.00 0.00 H new ATOM 0 HA VAL A 73 6.266 3.611 2.601 1.00 0.00 H new ATOM 0 HB VAL A 73 8.618 4.791 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.647 2.577 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.339 3.387 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.265 2.079 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.171 2.992 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.727 2.520 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.796 4.113 -0.407 1.00 0.00 H new ATOM 1115 N ALA A 74 7.840 6.377 3.424 1.00 0.00 N ATOM 1116 CA ALA A 74 8.429 7.098 4.535 1.00 0.00 C ATOM 1117 C ALA A 74 7.377 7.373 5.609 1.00 0.00 C ATOM 1118 O ALA A 74 7.531 6.960 6.757 1.00 0.00 O ATOM 1119 CB ALA A 74 9.067 8.389 4.050 1.00 0.00 C ATOM 0 H ALA A 74 7.703 6.934 2.581 1.00 0.00 H new ATOM 0 HA ALA A 74 9.211 6.481 4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.505 8.919 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.846 8.159 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.308 9.016 3.582 1.00 0.00 H new ATOM 1125 N VAL A 75 6.303 8.069 5.235 1.00 0.00 N ATOM 1126 CA VAL A 75 5.231 8.384 6.185 1.00 0.00 C ATOM 1127 C VAL A 75 4.578 7.116 6.748 1.00 0.00 C ATOM 1128 O VAL A 75 4.577 6.895 7.955 1.00 0.00 O ATOM 1129 CB VAL A 75 4.114 9.259 5.558 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.580 10.262 6.572 1.00 0.00 C ATOM 1131 CG2 VAL A 75 4.604 9.977 4.313 1.00 0.00 C ATOM 0 H VAL A 75 6.151 8.423 4.291 1.00 0.00 H new ATOM 0 HA VAL A 75 5.716 8.942 6.986 1.00 0.00 H new ATOM 0 HB VAL A 75 3.302 8.593 5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.798 10.865 6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.169 9.729 7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.391 10.911 6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.796 10.581 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.443 10.622 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.925 9.244 3.573 1.00 0.00 H new ATOM 1141 N LEU A 76 4.005 6.303 5.860 1.00 0.00 N ATOM 1142 CA LEU A 76 3.314 5.072 6.253 1.00 0.00 C ATOM 1143 C LEU A 76 4.165 4.206 7.170 1.00 0.00 C ATOM 1144 O LEU A 76 3.726 3.832 8.256 1.00 0.00 O ATOM 1145 CB LEU A 76 2.921 4.274 5.004 1.00 0.00 C ATOM 1146 CG LEU A 76 2.558 2.804 5.237 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.112 2.666 5.683 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.805 1.998 3.974 1.00 0.00 C ATOM 0 H LEU A 76 4.006 6.476 4.855 1.00 0.00 H new ATOM 0 HA LEU A 76 2.420 5.360 6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.071 4.768 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.747 4.316 4.294 1.00 0.00 H new ATOM 0 HG LEU A 76 3.194 2.415 6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.879 1.613 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.964 3.215 6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.454 3.071 4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.544 0.955 4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.192 2.393 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.857 2.067 3.699 1.00 0.00 H new ATOM 1160 N GLN A 77 5.369 3.870 6.726 1.00 0.00 N ATOM 1161 CA GLN A 77 6.239 3.021 7.531 1.00 0.00 C ATOM 1162 C GLN A 77 6.323 3.580 8.955 1.00 0.00 C ATOM 1163 O GLN A 77 6.399 2.834 9.930 1.00 0.00 O ATOM 1164 CB GLN A 77 7.639 2.908 6.915 1.00 0.00 C ATOM 1165 CG GLN A 77 8.512 4.138 7.124 1.00 0.00 C ATOM 1166 CD GLN A 77 9.515 3.961 8.248 1.00 0.00 C ATOM 1167 OE1 GLN A 77 9.689 2.863 8.774 1.00 0.00 O ATOM 1168 NE2 GLN A 77 10.184 5.048 8.617 1.00 0.00 N ATOM 0 H GLN A 77 5.760 4.165 5.831 1.00 0.00 H new ATOM 0 HA GLN A 77 5.813 2.018 7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.143 2.041 7.342 1.00 0.00 H new ATOM 0 HB3 GLN A 77 7.540 2.724 5.845 1.00 0.00 H new ATOM 0 HG2 GLN A 77 9.044 4.362 6.200 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.877 4.997 7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.007 5.938 8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.875 4.992 9.365 1.00 0.00 H new ATOM 1177 N ALA A 78 6.273 4.910 9.052 1.00 0.00 N ATOM 1178 CA ALA A 78 6.305 5.603 10.338 1.00 0.00 C ATOM 1179 C ALA A 78 4.918 5.635 10.985 1.00 0.00 C ATOM 1180 O ALA A 78 4.730 5.159 12.103 1.00 0.00 O ATOM 1181 CB ALA A 78 6.840 7.014 10.162 1.00 0.00 C ATOM 0 H ALA A 78 6.210 5.532 8.246 1.00 0.00 H new ATOM 0 HA ALA A 78 6.972 5.053 11.002 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.859 7.519 11.128 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.850 6.972 9.755 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.195 7.565 9.477 1.00 0.00 H new ATOM 1187 N HIS A 79 3.953 6.219 10.266 1.00 0.00 N ATOM 1188 CA HIS A 79 2.579 6.342 10.754 1.00 0.00 C ATOM 1189 C HIS A 79 1.908 4.977 10.936 1.00 0.00 C ATOM 1190 O HIS A 79 0.782 4.901 11.429 1.00 0.00 O ATOM 1191 CB HIS A 79 1.748 7.211 9.797 1.00 0.00 C ATOM 1192 CG HIS A 79 1.618 8.634 10.248 1.00 0.00 C ATOM 1193 ND1 HIS A 79 2.251 9.757 9.832 1.00 0.00 N flip ATOM 1194 CD2 HIS A 79 0.755 9.034 11.248 1.00 0.00 C flip ATOM 1195 CE1 HIS A 79 1.762 10.800 10.580 1.00 0.00 C flip ATOM 1196 NE2 HIS A 79 0.860 10.339 11.427 1.00 0.00 N flip ATOM 0 H HIS A 79 4.102 6.616 9.338 1.00 0.00 H new ATOM 0 HA HIS A 79 2.625 6.821 11.732 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.207 7.191 8.809 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.753 6.777 9.695 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.095 8.381 11.800 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.067 11.832 10.490 1.00 0.00 H new ATOM 0 HE2 HIS A 79 0.335 10.894 12.103 1.00 0.00 H new ATOM 1204 N GLN A 80 2.596 3.902 10.551 1.00 0.00 N ATOM 1205 CA GLN A 80 2.045 2.558 10.694 1.00 0.00 C ATOM 1206 C GLN A 80 2.242 2.025 12.112 1.00 0.00 C ATOM 1207 O GLN A 80 2.212 0.815 12.336 1.00 0.00 O ATOM 1208 CB GLN A 80 2.691 1.599 9.689 1.00 0.00 C ATOM 1209 CG GLN A 80 1.831 1.336 8.466 1.00 0.00 C ATOM 1210 CD GLN A 80 0.979 0.090 8.613 1.00 0.00 C ATOM 1211 OE1 GLN A 80 0.911 -0.741 7.707 1.00 0.00 O ATOM 1212 NE2 GLN A 80 0.322 -0.045 9.760 1.00 0.00 N ATOM 0 H GLN A 80 3.529 3.936 10.141 1.00 0.00 H new ATOM 0 HA GLN A 80 0.975 2.620 10.493 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.648 2.011 9.369 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.902 0.652 10.186 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.185 2.196 8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.472 1.233 7.590 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.408 0.669 10.484 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.268 -0.862 9.917 1.00 0.00 H new ATOM 1221 N ALA A 81 2.442 2.929 13.069 1.00 0.00 N ATOM 1222 CA ALA A 81 2.639 2.534 14.457 1.00 0.00 C ATOM 1223 C ALA A 81 1.353 1.980 15.057 1.00 0.00 C ATOM 1224 O ALA A 81 1.379 1.326 16.100 1.00 0.00 O ATOM 1225 CB ALA A 81 3.139 3.714 15.276 1.00 0.00 C ATOM 0 H ALA A 81 2.471 3.936 12.907 1.00 0.00 H new ATOM 0 HA ALA A 81 3.390 1.745 14.481 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.282 3.404 16.311 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.087 4.064 14.868 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.407 4.521 15.236 1.00 0.00 H new ATOM 1231 N LYS A 82 0.225 2.240 14.400 1.00 0.00 N ATOM 1232 CA LYS A 82 -1.059 1.756 14.883 1.00 0.00 C ATOM 1233 C LYS A 82 -1.244 0.287 14.537 1.00 0.00 C ATOM 1234 O LYS A 82 -1.721 -0.052 13.453 1.00 0.00 O ATOM 1235 CB LYS A 82 -2.203 2.579 14.284 1.00 0.00 C ATOM 1236 CG LYS A 82 -2.275 4.001 14.818 1.00 0.00 C ATOM 1237 CD LYS A 82 -2.407 4.029 16.334 1.00 0.00 C ATOM 1238 CE LYS A 82 -1.277 4.817 16.978 1.00 0.00 C ATOM 1239 NZ LYS A 82 -0.185 3.931 17.472 1.00 0.00 N ATOM 0 H LYS A 82 0.177 2.781 13.536 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.075 1.865 15.967 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.087 2.612 13.201 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.148 2.075 14.488 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.379 4.547 14.521 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.125 4.515 14.369 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.364 4.473 16.609 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.406 3.009 16.719 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.870 5.524 16.254 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.672 5.403 17.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.240 4.346 18.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.575 2.994 17.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.543 3.833 16.736 1.00 0.00 H new ATOM 1253 N GLU A 83 -0.873 -0.581 15.468 1.00 0.00 N ATOM 1254 CA GLU A 83 -1.007 -2.014 15.260 1.00 0.00 C ATOM 1255 C GLU A 83 -2.469 -2.419 15.377 1.00 0.00 C ATOM 1256 O GLU A 83 -3.234 -1.798 16.115 1.00 0.00 O ATOM 1257 CB GLU A 83 -0.166 -2.781 16.288 1.00 0.00 C ATOM 1258 CG GLU A 83 0.590 -3.964 15.704 1.00 0.00 C ATOM 1259 CD GLU A 83 1.576 -3.552 14.628 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.362 -2.613 14.871 1.00 0.00 O ATOM 1261 OE2 GLU A 83 1.561 -4.170 13.543 1.00 0.00 O ATOM 0 H GLU A 83 -0.478 -0.318 16.371 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.647 -2.260 14.261 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.548 -2.095 16.744 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.819 -3.137 17.085 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.124 -4.479 16.503 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.122 -4.675 15.286 1.00 0.00 H new ATOM 1268 N ALA A 84 -2.856 -3.461 14.652 1.00 0.00 N ATOM 1269 CA ALA A 84 -4.232 -3.936 14.690 1.00 0.00 C ATOM 1270 C ALA A 84 -4.494 -4.766 15.944 1.00 0.00 C ATOM 1271 O ALA A 84 -5.412 -5.586 15.975 1.00 0.00 O ATOM 1272 CB ALA A 84 -4.549 -4.740 13.438 1.00 0.00 C ATOM 0 H ALA A 84 -2.240 -3.990 14.034 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.890 -3.067 14.722 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.581 -5.088 13.481 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.415 -4.111 12.558 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.879 -5.597 13.377 1.00 0.00 H new ATOM 1278 N ALA A 85 -3.683 -4.548 16.978 1.00 0.00 N ATOM 1279 CA ALA A 85 -3.831 -5.271 18.230 1.00 0.00 C ATOM 1280 C ALA A 85 -4.872 -4.608 19.127 1.00 0.00 C ATOM 1281 O ALA A 85 -4.625 -4.375 20.310 1.00 0.00 O ATOM 1282 CB ALA A 85 -2.491 -5.361 18.946 1.00 0.00 C ATOM 0 H ALA A 85 -2.917 -3.875 16.969 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.177 -6.279 18.003 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.615 -5.905 19.883 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.775 -5.886 18.314 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.122 -4.357 19.155 1.00 0.00 H new ATOM 1288 N GLN A 86 -6.043 -4.320 18.564 1.00 0.00 N ATOM 1289 CA GLN A 86 -7.118 -3.701 19.329 1.00 0.00 C ATOM 1290 C GLN A 86 -7.940 -4.765 20.051 1.00 0.00 C ATOM 1291 O GLN A 86 -9.113 -4.556 20.358 1.00 0.00 O ATOM 1292 CB GLN A 86 -8.024 -2.868 18.416 1.00 0.00 C ATOM 1293 CG GLN A 86 -8.420 -3.571 17.127 1.00 0.00 C ATOM 1294 CD GLN A 86 -7.857 -2.887 15.895 1.00 0.00 C ATOM 1295 OE1 GLN A 86 -7.173 -3.509 15.082 1.00 0.00 O ATOM 1296 NE2 GLN A 86 -8.145 -1.598 15.752 1.00 0.00 N ATOM 0 H GLN A 86 -6.269 -4.505 17.587 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.669 -3.039 20.070 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.928 -2.601 18.964 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.515 -1.937 18.168 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.070 -4.603 17.157 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.507 -3.605 17.055 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -8.716 -1.122 16.451 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.795 -1.084 14.943 1.00 0.00 H new ATOM 1305 N LYS A 87 -7.310 -5.905 20.321 1.00 0.00 N ATOM 1306 CA LYS A 87 -7.966 -7.006 21.008 1.00 0.00 C ATOM 1307 C LYS A 87 -7.683 -6.952 22.507 1.00 0.00 C ATOM 1308 O LYS A 87 -7.611 -7.986 23.172 1.00 0.00 O ATOM 1309 CB LYS A 87 -7.488 -8.339 20.427 1.00 0.00 C ATOM 1310 CG LYS A 87 -8.619 -9.230 19.941 1.00 0.00 C ATOM 1311 CD LYS A 87 -8.411 -10.676 20.364 1.00 0.00 C ATOM 1312 CE LYS A 87 -8.450 -10.823 21.877 1.00 0.00 C ATOM 1313 NZ LYS A 87 -8.342 -12.245 22.307 1.00 0.00 N ATOM 0 H LYS A 87 -6.338 -6.088 20.071 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.042 -6.917 20.861 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.809 -8.142 19.597 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.916 -8.873 21.186 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.567 -8.866 20.339 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.687 -9.174 18.855 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.183 -11.302 19.916 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.452 -11.033 19.987 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.635 -10.249 22.317 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.380 -10.400 22.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.373 -12.297 23.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.134 -12.789 21.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.443 -12.643 21.967 1.00 0.00 H new ATOM 1327 N ALA A 88 -7.518 -5.742 23.031 1.00 0.00 N ATOM 1328 CA ALA A 88 -7.239 -5.554 24.449 1.00 0.00 C ATOM 1329 C ALA A 88 -8.495 -5.752 25.289 1.00 0.00 C ATOM 1330 O ALA A 88 -8.943 -4.838 25.984 1.00 0.00 O ATOM 1331 CB ALA A 88 -6.652 -4.171 24.689 1.00 0.00 C ATOM 0 H ALA A 88 -7.573 -4.877 22.494 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.511 -6.306 24.754 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.448 -4.042 25.752 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.725 -4.067 24.126 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.363 -3.412 24.361 1.00 0.00 H new ATOM 1337 N VAL A 89 -9.061 -6.951 25.221 1.00 0.00 N ATOM 1338 CA VAL A 89 -10.265 -7.273 25.974 1.00 0.00 C ATOM 1339 C VAL A 89 -9.931 -8.094 27.213 1.00 0.00 C ATOM 1340 O VAL A 89 -9.593 -9.274 27.115 1.00 0.00 O ATOM 1341 CB VAL A 89 -11.274 -8.048 25.107 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -12.580 -8.257 25.858 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -11.515 -7.323 23.794 1.00 0.00 C ATOM 0 H VAL A 89 -8.704 -7.717 24.650 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.714 -6.329 26.281 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.853 -9.028 24.883 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.279 -8.807 25.227 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.389 -8.825 26.769 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.009 -7.289 26.117 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.231 -7.885 23.194 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.912 -6.328 23.995 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.575 -7.235 23.249 1.00 0.00 H new ATOM 1353 N ASN A 90 -10.031 -7.465 28.378 1.00 0.00 N ATOM 1354 CA ASN A 90 -9.742 -8.140 29.637 1.00 0.00 C ATOM 1355 C ASN A 90 -11.030 -8.577 30.326 1.00 0.00 C ATOM 1356 O ASN A 90 -11.691 -7.780 30.993 1.00 0.00 O ATOM 1357 CB ASN A 90 -8.939 -7.222 30.561 1.00 0.00 C ATOM 1358 CG ASN A 90 -9.674 -5.934 30.875 1.00 0.00 C ATOM 1359 OD1 ASN A 90 -10.414 -5.408 30.042 1.00 0.00 O ATOM 1360 ND2 ASN A 90 -9.473 -5.417 32.081 1.00 0.00 N ATOM 0 H ASN A 90 -10.310 -6.489 28.477 1.00 0.00 H new ATOM 0 HA ASN A 90 -9.149 -9.028 29.417 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.719 -7.748 31.490 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.983 -6.987 30.094 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.940 -4.551 32.349 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -8.852 -5.886 32.740 1.00 0.00 H new ATOM 1367 N SER A 91 -11.383 -9.847 30.160 1.00 0.00 N ATOM 1368 CA SER A 91 -12.593 -10.388 30.765 1.00 0.00 C ATOM 1369 C SER A 91 -12.318 -10.901 32.174 1.00 0.00 C ATOM 1370 O SER A 91 -12.168 -12.104 32.390 1.00 0.00 O ATOM 1371 CB SER A 91 -13.156 -11.518 29.901 1.00 0.00 C ATOM 1372 OG SER A 91 -12.190 -12.532 29.693 1.00 0.00 O ATOM 0 H SER A 91 -10.848 -10.520 29.612 1.00 0.00 H new ATOM 0 HA SER A 91 -13.327 -9.585 30.829 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.036 -11.944 30.383 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.480 -11.118 28.940 1.00 0.00 H new ATOM 0 HG SER A 91 -11.886 -12.877 30.559 1.00 0.00 H new ATOM 1378 N ALA A 92 -12.253 -9.982 33.130 1.00 0.00 N ATOM 1379 CA ALA A 92 -11.999 -10.341 34.519 1.00 0.00 C ATOM 1380 C ALA A 92 -13.240 -10.953 35.159 1.00 0.00 C ATOM 1381 O ALA A 92 -14.062 -10.248 35.741 1.00 0.00 O ATOM 1382 CB ALA A 92 -11.545 -9.121 35.304 1.00 0.00 C ATOM 0 H ALA A 92 -12.373 -8.982 32.968 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.204 -11.087 34.539 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.359 -9.404 36.340 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.629 -8.726 34.865 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.322 -8.357 35.270 1.00 0.00 H new ATOM 1388 N THR A 93 -13.367 -12.272 35.046 1.00 0.00 N ATOM 1389 CA THR A 93 -14.509 -12.979 35.615 1.00 0.00 C ATOM 1390 C THR A 93 -14.068 -13.902 36.747 1.00 0.00 C ATOM 1391 O THR A 93 -13.325 -14.860 36.527 1.00 0.00 O ATOM 1392 CB THR A 93 -15.230 -13.786 34.533 1.00 0.00 C ATOM 1393 OG1 THR A 93 -16.156 -14.687 35.114 1.00 0.00 O ATOM 1394 CG2 THR A 93 -14.295 -14.592 33.658 1.00 0.00 C ATOM 0 H THR A 93 -12.695 -12.871 34.567 1.00 0.00 H new ATOM 0 HA THR A 93 -15.197 -12.238 36.022 1.00 0.00 H new ATOM 0 HB THR A 93 -15.733 -13.046 33.911 1.00 0.00 H new ATOM 0 HG1 THR A 93 -16.608 -15.193 34.407 1.00 0.00 H new ATOM 0 HG21 THR A 93 -14.874 -15.139 32.914 1.00 0.00 H new ATOM 0 HG22 THR A 93 -13.599 -13.921 33.155 1.00 0.00 H new ATOM 0 HG23 THR A 93 -13.738 -15.298 34.274 1.00 0.00 H new ATOM 1402 N GLY A 94 -14.529 -13.606 37.958 1.00 0.00 N ATOM 1403 CA GLY A 94 -14.171 -14.419 39.106 1.00 0.00 C ATOM 1404 C GLY A 94 -15.188 -15.506 39.388 1.00 0.00 C ATOM 1405 O GLY A 94 -16.389 -15.244 39.440 1.00 0.00 O ATOM 0 H GLY A 94 -15.143 -12.819 38.165 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.196 -14.874 38.934 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.074 -13.780 39.984 1.00 0.00 H new ATOM 1409 N VAL A 95 -14.706 -16.731 39.570 1.00 0.00 N ATOM 1410 CA VAL A 95 -15.582 -17.863 39.848 1.00 0.00 C ATOM 1411 C VAL A 95 -15.656 -18.146 41.348 1.00 0.00 C ATOM 1412 O VAL A 95 -14.684 -17.942 42.074 1.00 0.00 O ATOM 1413 CB VAL A 95 -15.110 -19.135 39.115 1.00 0.00 C ATOM 1414 CG1 VAL A 95 -15.059 -18.896 37.614 1.00 0.00 C ATOM 1415 CG2 VAL A 95 -13.753 -19.587 39.633 1.00 0.00 C ATOM 0 H VAL A 95 -13.714 -16.965 39.530 1.00 0.00 H new ATOM 0 HA VAL A 95 -16.573 -17.593 39.484 1.00 0.00 H new ATOM 0 HB VAL A 95 -15.829 -19.930 39.314 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -14.724 -19.804 37.112 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -16.052 -18.628 37.254 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -14.364 -18.085 37.398 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.441 -20.486 39.101 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.020 -18.797 39.471 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.824 -19.803 40.699 1.00 0.00 H new ATOM 1425 N PRO A 96 -16.816 -18.622 41.834 1.00 0.00 N ATOM 1426 CA PRO A 96 -17.007 -18.932 43.254 1.00 0.00 C ATOM 1427 C PRO A 96 -16.189 -20.139 43.697 1.00 0.00 C ATOM 1428 O PRO A 96 -15.994 -21.085 42.932 1.00 0.00 O ATOM 1429 CB PRO A 96 -18.505 -19.235 43.355 1.00 0.00 C ATOM 1430 CG PRO A 96 -18.896 -19.674 41.988 1.00 0.00 C ATOM 1431 CD PRO A 96 -18.028 -18.896 41.038 1.00 0.00 C ATOM 0 HA PRO A 96 -16.680 -18.114 43.897 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -18.703 -20.013 44.092 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -19.067 -18.354 43.664 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -18.745 -20.746 41.865 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -19.952 -19.477 41.802 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -17.799 -19.470 40.140 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -18.512 -17.975 40.712 1.00 0.00 H new ATOM 1439 N THR A 97 -15.710 -20.102 44.938 1.00 0.00 N ATOM 1440 CA THR A 97 -14.911 -21.194 45.480 1.00 0.00 C ATOM 1441 C THR A 97 -15.808 -22.300 46.032 1.00 0.00 C ATOM 1442 O THR A 97 -15.927 -22.469 47.246 1.00 0.00 O ATOM 1443 CB THR A 97 -13.976 -20.681 46.576 1.00 0.00 C ATOM 1444 OG1 THR A 97 -14.720 -20.166 47.673 1.00 0.00 O ATOM 1445 CG2 THR A 97 -13.034 -19.596 46.096 1.00 0.00 C ATOM 0 H THR A 97 -15.862 -19.328 45.585 1.00 0.00 H new ATOM 0 HA THR A 97 -14.310 -21.607 44.670 1.00 0.00 H new ATOM 0 HB THR A 97 -13.381 -21.542 46.880 1.00 0.00 H new ATOM 0 HG1 THR A 97 -15.424 -20.802 47.918 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.398 -19.275 46.921 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.413 -19.984 45.289 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.612 -18.747 45.733 1.00 0.00 H new ATOM 1453 N VAL A 98 -16.436 -23.050 45.132 1.00 0.00 N ATOM 1454 CA VAL A 98 -17.321 -24.139 45.527 1.00 0.00 C ATOM 1455 C VAL A 98 -16.723 -25.493 45.159 1.00 0.00 C ATOM 1456 O VAL A 98 -17.471 -26.493 45.176 1.00 0.00 O ATOM 1457 CB VAL A 98 -18.706 -24.006 44.868 1.00 0.00 C ATOM 1458 CG1 VAL A 98 -19.510 -22.899 45.531 1.00 0.00 C ATOM 1459 CG2 VAL A 98 -18.565 -23.752 43.375 1.00 0.00 C ATOM 1460 OXT VAL A 98 -15.512 -25.542 44.856 1.00 0.00 O ATOM 0 H VAL A 98 -16.348 -22.923 44.124 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.436 -24.076 46.609 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.244 -24.944 45.004 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.486 -22.821 45.051 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -19.643 -23.129 46.588 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -18.979 -21.953 45.430 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.554 -23.661 42.926 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -18.007 -22.830 43.214 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -18.032 -24.583 42.913 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 12.372 17.570 7.805 1.00 0.00 N ATOM 1472 CA VAL B 1 12.203 16.765 9.048 1.00 0.00 C ATOM 1473 C VAL B 1 10.845 17.016 9.707 1.00 0.00 C ATOM 1474 O VAL B 1 10.208 16.084 10.199 1.00 0.00 O ATOM 1475 CB VAL B 1 13.328 17.055 10.066 1.00 0.00 C ATOM 1476 CG1 VAL B 1 13.308 18.513 10.501 1.00 0.00 C ATOM 1477 CG2 VAL B 1 13.219 16.126 11.269 1.00 0.00 C ATOM 0 H1 VAL B 1 13.340 17.451 7.443 1.00 0.00 H new ATOM 0 H2 VAL B 1 11.692 17.247 7.087 1.00 0.00 H new ATOM 0 H3 VAL B 1 12.202 18.574 8.016 1.00 0.00 H new ATOM 0 HA VAL B 1 12.257 15.719 8.748 1.00 0.00 H new ATOM 0 HB VAL B 1 14.284 16.866 9.577 1.00 0.00 H new ATOM 0 HG11 VAL B 1 14.110 18.690 11.218 1.00 0.00 H new ATOM 0 HG12 VAL B 1 13.451 19.154 9.631 1.00 0.00 H new ATOM 0 HG13 VAL B 1 12.349 18.741 10.966 1.00 0.00 H new ATOM 0 HG21 VAL B 1 14.021 16.347 11.973 1.00 0.00 H new ATOM 0 HG22 VAL B 1 12.256 16.274 11.757 1.00 0.00 H new ATOM 0 HG23 VAL B 1 13.302 15.091 10.938 1.00 0.00 H new ATOM 1489 N LEU B 2 10.402 18.271 9.716 1.00 0.00 N ATOM 1490 CA LEU B 2 9.119 18.620 10.316 1.00 0.00 C ATOM 1491 C LEU B 2 7.965 18.199 9.413 1.00 0.00 C ATOM 1492 O LEU B 2 6.954 17.678 9.882 1.00 0.00 O ATOM 1493 CB LEU B 2 9.043 20.126 10.580 1.00 0.00 C ATOM 1494 CG LEU B 2 9.903 20.625 11.742 1.00 0.00 C ATOM 1495 CD1 LEU B 2 9.906 22.146 11.785 1.00 0.00 C ATOM 1496 CD2 LEU B 2 9.402 20.052 13.059 1.00 0.00 C ATOM 0 H LEU B 2 10.911 19.059 9.316 1.00 0.00 H new ATOM 0 HA LEU B 2 9.036 18.086 11.263 1.00 0.00 H new ATOM 0 HB2 LEU B 2 9.342 20.653 9.674 1.00 0.00 H new ATOM 0 HB3 LEU B 2 8.005 20.393 10.776 1.00 0.00 H new ATOM 0 HG LEU B 2 10.927 20.284 11.588 1.00 0.00 H new ATOM 0 HD11 LEU B 2 10.522 22.485 12.617 1.00 0.00 H new ATOM 0 HD12 LEU B 2 10.311 22.536 10.851 1.00 0.00 H new ATOM 0 HD13 LEU B 2 8.887 22.508 11.917 1.00 0.00 H new ATOM 0 HD21 LEU B 2 10.025 20.417 13.875 1.00 0.00 H new ATOM 0 HD22 LEU B 2 8.370 20.364 13.223 1.00 0.00 H new ATOM 0 HD23 LEU B 2 9.451 18.964 13.024 1.00 0.00 H new ATOM 1508 N MET B 3 8.124 18.435 8.115 1.00 0.00 N ATOM 1509 CA MET B 3 7.095 18.087 7.143 1.00 0.00 C ATOM 1510 C MET B 3 7.185 16.618 6.750 1.00 0.00 C ATOM 1511 O MET B 3 8.276 16.081 6.561 1.00 0.00 O ATOM 1512 CB MET B 3 7.226 18.968 5.899 1.00 0.00 C ATOM 1513 CG MET B 3 6.114 19.993 5.761 1.00 0.00 C ATOM 1514 SD MET B 3 6.613 21.434 4.802 1.00 0.00 S ATOM 1515 CE MET B 3 6.569 22.708 6.060 1.00 0.00 C ATOM 0 H MET B 3 8.956 18.866 7.712 1.00 0.00 H new ATOM 0 HA MET B 3 6.123 18.258 7.605 1.00 0.00 H new ATOM 0 HB2 MET B 3 8.185 19.486 5.930 1.00 0.00 H new ATOM 0 HB3 MET B 3 7.235 18.333 5.013 1.00 0.00 H new ATOM 0 HG2 MET B 3 5.252 19.526 5.285 1.00 0.00 H new ATOM 0 HG3 MET B 3 5.796 20.314 6.753 1.00 0.00 H new ATOM 0 HE1 MET B 3 6.855 23.664 5.620 1.00 0.00 H new ATOM 0 HE2 MET B 3 5.561 22.783 6.467 1.00 0.00 H new ATOM 0 HE3 MET B 3 7.265 22.454 6.860 1.00 0.00 H new ATOM 1525 N SER B 4 6.031 15.976 6.617 1.00 0.00 N ATOM 1526 CA SER B 4 5.987 14.573 6.232 1.00 0.00 C ATOM 1527 C SER B 4 6.182 14.438 4.727 1.00 0.00 C ATOM 1528 O SER B 4 6.622 15.380 4.068 1.00 0.00 O ATOM 1529 CB SER B 4 4.659 13.945 6.662 1.00 0.00 C ATOM 1530 OG SER B 4 4.492 14.025 8.066 1.00 0.00 O ATOM 0 H SER B 4 5.117 16.403 6.770 1.00 0.00 H new ATOM 0 HA SER B 4 6.795 14.043 6.736 1.00 0.00 H new ATOM 0 HB2 SER B 4 3.834 14.454 6.164 1.00 0.00 H new ATOM 0 HB3 SER B 4 4.627 12.902 6.347 1.00 0.00 H new ATOM 0 HG SER B 4 3.636 13.619 8.317 1.00 0.00 H new ATOM 1536 N LYS B 5 5.867 13.270 4.182 1.00 0.00 N ATOM 1537 CA LYS B 5 6.028 13.048 2.755 1.00 0.00 C ATOM 1538 C LYS B 5 4.763 13.439 1.985 1.00 0.00 C ATOM 1539 O LYS B 5 3.828 14.004 2.556 1.00 0.00 O ATOM 1540 CB LYS B 5 6.417 11.599 2.476 1.00 0.00 C ATOM 1541 CG LYS B 5 7.458 11.054 3.446 1.00 0.00 C ATOM 1542 CD LYS B 5 8.877 11.332 2.971 1.00 0.00 C ATOM 1543 CE LYS B 5 9.292 12.768 3.241 1.00 0.00 C ATOM 1544 NZ LYS B 5 10.698 12.852 3.727 1.00 0.00 N ATOM 0 H LYS B 5 5.503 12.471 4.701 1.00 0.00 H new ATOM 0 HA LYS B 5 6.836 13.690 2.404 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.524 10.975 2.524 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.804 11.524 1.460 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.309 11.503 4.428 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.318 9.979 3.562 1.00 0.00 H new ATOM 0 HD2 LYS B 5 9.567 10.654 3.473 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.949 11.128 1.903 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.186 13.355 2.329 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.624 13.207 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.946 13.847 3.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.793 12.312 4.611 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 11.338 12.456 3.009 1.00 0.00 H new ATOM 1558 N LEU B 6 4.752 13.161 0.683 1.00 0.00 N ATOM 1559 CA LEU B 6 3.614 13.508 -0.180 1.00 0.00 C ATOM 1560 C LEU B 6 2.383 12.652 0.112 1.00 0.00 C ATOM 1561 O LEU B 6 1.261 13.159 0.119 1.00 0.00 O ATOM 1562 CB LEU B 6 3.996 13.363 -1.655 1.00 0.00 C ATOM 1563 CG LEU B 6 4.977 14.413 -2.182 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.831 13.827 -3.295 1.00 0.00 C ATOM 1565 CD2 LEU B 6 4.226 15.644 -2.674 1.00 0.00 C ATOM 0 H LEU B 6 5.518 12.695 0.197 1.00 0.00 H new ATOM 0 HA LEU B 6 3.360 14.546 0.036 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.431 12.375 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.087 13.405 -2.255 1.00 0.00 H new ATOM 0 HG LEU B 6 5.634 14.715 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.524 14.585 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.394 12.976 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.189 13.499 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.938 16.381 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.547 15.359 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.655 16.074 -1.852 1.00 0.00 H new ATOM 1577 N SER B 7 2.585 11.364 0.368 1.00 0.00 N ATOM 1578 CA SER B 7 1.474 10.473 0.675 1.00 0.00 C ATOM 1579 C SER B 7 1.330 10.307 2.183 1.00 0.00 C ATOM 1580 O SER B 7 2.307 10.037 2.878 1.00 0.00 O ATOM 1581 CB SER B 7 1.679 9.113 0.015 1.00 0.00 C ATOM 1582 OG SER B 7 0.631 8.220 0.352 1.00 0.00 O ATOM 0 H SER B 7 3.502 10.917 0.369 1.00 0.00 H new ATOM 0 HA SER B 7 0.560 10.916 0.281 1.00 0.00 H new ATOM 0 HB2 SER B 7 1.724 9.234 -1.067 1.00 0.00 H new ATOM 0 HB3 SER B 7 2.634 8.693 0.329 1.00 0.00 H new ATOM 0 HG SER B 7 0.825 7.799 1.216 1.00 0.00 H new ATOM 1588 N VAL B 8 0.113 10.481 2.687 1.00 0.00 N ATOM 1589 CA VAL B 8 -0.146 10.360 4.121 1.00 0.00 C ATOM 1590 C VAL B 8 -0.867 9.053 4.444 1.00 0.00 C ATOM 1591 O VAL B 8 -1.427 8.410 3.557 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.989 11.543 4.644 1.00 0.00 C ATOM 1593 CG1 VAL B 8 -0.933 11.612 6.161 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -0.525 12.861 4.031 1.00 0.00 C ATOM 0 H VAL B 8 -0.709 10.706 2.127 1.00 0.00 H new ATOM 0 HA VAL B 8 0.824 10.368 4.618 1.00 0.00 H new ATOM 0 HB VAL B 8 -2.023 11.376 4.343 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.533 12.452 6.509 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.325 10.686 6.582 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.100 11.747 6.481 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.136 13.677 4.417 1.00 0.00 H new ATOM 0 HG22 VAL B 8 0.519 13.035 4.291 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -0.626 12.814 2.947 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.840 8.655 5.718 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.485 7.416 6.144 1.00 0.00 C ATOM 1606 C ASN B 9 -3.002 7.572 6.271 1.00 0.00 C ATOM 1607 O ASN B 9 -3.566 7.334 7.340 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.892 6.944 7.475 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.185 5.482 7.756 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -2.315 5.022 7.596 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -0.165 4.743 8.180 1.00 0.00 N ATOM 0 H ASN B 9 -0.380 9.172 6.468 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.296 6.668 5.375 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.187 7.099 7.464 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.293 7.554 8.284 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -0.303 3.754 8.386 1.00 0.00 H new ATOM 0 HD22 ASN B 9 0.756 5.165 8.299 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.665 7.983 5.188 1.00 0.00 N ATOM 1619 CA ALA B 10 -5.115 8.176 5.203 1.00 0.00 C ATOM 1620 C ALA B 10 -5.854 6.878 5.544 1.00 0.00 C ATOM 1621 O ALA B 10 -5.228 5.883 5.908 1.00 0.00 O ATOM 1622 CB ALA B 10 -5.565 8.712 3.852 1.00 0.00 C ATOM 0 H ALA B 10 -3.222 8.188 4.292 1.00 0.00 H new ATOM 0 HA ALA B 10 -5.361 8.898 5.981 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.645 8.857 3.860 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -5.072 9.664 3.656 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -5.300 7.999 3.071 1.00 0.00 H new ATOM 1628 N PRO B 11 -7.205 6.873 5.443 1.00 0.00 N ATOM 1629 CA PRO B 11 -8.027 5.690 5.753 1.00 0.00 C ATOM 1630 C PRO B 11 -7.565 4.439 5.013 1.00 0.00 C ATOM 1631 O PRO B 11 -6.437 4.374 4.534 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.425 6.095 5.287 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.436 7.578 5.388 1.00 0.00 C ATOM 1634 CD PRO B 11 -8.044 8.020 5.033 1.00 0.00 C ATOM 0 HA PRO B 11 -7.970 5.429 6.810 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.614 5.765 4.265 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.197 5.649 5.914 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -10.170 8.011 4.708 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.704 7.900 6.394 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.948 8.227 3.967 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.765 8.931 5.562 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.455 3.457 4.886 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.149 2.229 4.163 1.00 0.00 C ATOM 1644 C GLU B 12 -8.356 2.412 2.654 1.00 0.00 C ATOM 1645 O GLU B 12 -8.627 3.516 2.181 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.025 1.084 4.684 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.679 0.650 6.101 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.265 0.113 6.220 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -6.316 0.925 6.181 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -7.106 -1.118 6.354 1.00 0.00 O ATOM 0 H GLU B 12 -9.397 3.490 5.277 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.101 1.983 4.332 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -10.070 1.393 4.652 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.925 0.228 4.016 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.799 1.497 6.776 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.383 -0.117 6.424 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.239 1.309 1.913 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.431 1.338 0.462 1.00 0.00 C ATOM 1659 C PHE B 13 -9.796 0.760 0.092 1.00 0.00 C ATOM 1660 O PHE B 13 -10.073 -0.416 0.320 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.309 0.592 -0.268 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.296 -0.896 -0.064 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.894 -1.455 1.141 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.674 -1.738 -1.093 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.873 -2.827 1.308 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.656 -3.107 -0.930 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.255 -3.651 0.268 1.00 0.00 C ATOM 0 H PHE B 13 -8.013 0.389 2.291 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.396 2.379 0.141 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.393 0.796 -1.335 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.351 0.997 0.060 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.595 -0.812 1.956 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.988 -1.318 -2.037 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.559 -3.253 2.249 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.957 -3.752 -1.743 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.239 -4.723 0.395 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.634 1.611 -0.506 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.973 1.226 -0.948 1.00 0.00 C ATOM 1679 C TYR B 14 -12.106 1.384 -2.468 1.00 0.00 C ATOM 1680 O TYR B 14 -11.178 1.859 -3.121 1.00 0.00 O ATOM 1681 CB TYR B 14 -13.013 2.065 -0.205 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.566 1.371 1.021 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -14.340 0.221 0.905 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -13.305 1.858 2.295 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -14.838 -0.421 2.021 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -13.798 1.220 3.417 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.566 0.080 3.276 1.00 0.00 C ATOM 1688 OH TYR B 14 -15.061 -0.563 4.389 1.00 0.00 O ATOM 0 H TYR B 14 -10.401 2.586 -0.696 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.144 0.175 -0.715 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.563 3.012 0.092 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.833 2.301 -0.883 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -14.555 -0.177 -0.076 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -12.707 2.750 2.411 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -15.438 -1.312 1.911 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -13.584 1.611 4.401 1.00 0.00 H new ATOM 0 HH TYR B 14 -14.779 -0.084 5.196 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.257 0.997 -3.065 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.459 1.126 -4.515 1.00 0.00 C ATOM 1700 C PRO B 15 -13.550 2.580 -4.978 1.00 0.00 C ATOM 1701 O PRO B 15 -14.618 3.200 -4.936 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.784 0.413 -4.769 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.495 0.413 -3.460 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.434 0.412 -2.394 1.00 0.00 C ATOM 0 HA PRO B 15 -12.618 0.704 -5.065 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.367 0.929 -5.532 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.620 -0.604 -5.126 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -16.136 1.290 -3.367 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.137 -0.463 -3.368 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.736 1.003 -1.529 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.229 -0.597 -2.035 1.00 0.00 H new ATOM 1712 N SER B 16 -12.426 3.110 -5.444 1.00 0.00 N ATOM 1713 CA SER B 16 -12.363 4.486 -5.937 1.00 0.00 C ATOM 1714 C SER B 16 -13.427 4.727 -6.991 1.00 0.00 C ATOM 1715 O SER B 16 -14.399 5.444 -6.758 1.00 0.00 O ATOM 1716 CB SER B 16 -10.991 4.787 -6.537 1.00 0.00 C ATOM 1717 OG SER B 16 -10.483 6.016 -6.051 1.00 0.00 O ATOM 0 H SER B 16 -11.540 2.607 -5.492 1.00 0.00 H new ATOM 0 HA SER B 16 -12.537 5.147 -5.088 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.299 3.981 -6.293 1.00 0.00 H new ATOM 0 HB3 SER B 16 -11.066 4.825 -7.624 1.00 0.00 H new ATOM 0 HG SER B 16 -10.470 6.000 -5.071 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.238 4.108 -8.153 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.188 4.254 -9.230 1.00 0.00 C ATOM 1725 C GLY B 17 -15.374 3.325 -9.081 1.00 0.00 C ATOM 1726 O GLY B 17 -15.692 2.565 -9.997 1.00 0.00 O ATOM 0 H GLY B 17 -12.441 3.508 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.539 5.285 -9.264 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.691 4.055 -10.179 1.00 0.00 H new ATOM 1730 N TYR B 18 -16.034 3.382 -7.929 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.195 2.542 -7.677 1.00 0.00 C ATOM 1732 C TYR B 18 -18.346 2.915 -8.607 1.00 0.00 C ATOM 1733 O TYR B 18 -18.562 4.090 -8.903 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.637 2.681 -6.222 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.314 1.448 -5.671 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.672 0.217 -5.684 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.592 1.518 -5.134 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.288 -0.912 -5.176 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.214 0.396 -4.624 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.558 -0.816 -4.647 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.175 -1.938 -4.139 1.00 0.00 O ATOM 0 H TYR B 18 -15.784 4.001 -7.157 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.916 1.506 -7.870 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.766 2.911 -5.608 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.319 3.527 -6.138 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.677 0.140 -6.097 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.109 2.466 -5.115 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.777 -1.864 -5.193 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.209 0.467 -4.209 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.065 -1.699 -3.804 1.00 0.00 H new ATOM 1751 N SER B 19 -19.084 1.908 -9.062 1.00 0.00 N ATOM 1752 CA SER B 19 -20.216 2.133 -9.953 1.00 0.00 C ATOM 1753 C SER B 19 -21.514 2.252 -9.162 1.00 0.00 C ATOM 1754 O SER B 19 -22.273 1.289 -9.046 1.00 0.00 O ATOM 1755 CB SER B 19 -20.329 0.995 -10.969 1.00 0.00 C ATOM 1756 OG SER B 19 -20.974 1.428 -12.153 1.00 0.00 O ATOM 0 H SER B 19 -18.919 0.929 -8.829 1.00 0.00 H new ATOM 0 HA SER B 19 -20.046 3.069 -10.485 1.00 0.00 H new ATOM 0 HB2 SER B 19 -19.335 0.619 -11.210 1.00 0.00 H new ATOM 0 HB3 SER B 19 -20.885 0.167 -10.531 1.00 0.00 H new ATOM 0 HG SER B 19 -21.032 0.682 -12.786 1.00 0.00 H new ATOM 1762 N SER B 20 -21.761 3.437 -8.617 1.00 0.00 N ATOM 1763 CA SER B 20 -22.965 3.685 -7.832 1.00 0.00 C ATOM 1764 C SER B 20 -24.167 3.933 -8.738 1.00 0.00 C ATOM 1765 O SER B 20 -24.337 5.029 -9.274 1.00 0.00 O ATOM 1766 CB SER B 20 -22.756 4.883 -6.906 1.00 0.00 C ATOM 1767 OG SER B 20 -21.808 5.788 -7.448 1.00 0.00 O ATOM 0 H SER B 20 -21.142 4.243 -8.704 1.00 0.00 H new ATOM 0 HA SER B 20 -23.164 2.798 -7.231 1.00 0.00 H new ATOM 0 HB2 SER B 20 -23.705 5.396 -6.750 1.00 0.00 H new ATOM 0 HB3 SER B 20 -22.416 4.537 -5.930 1.00 0.00 H new ATOM 0 HG SER B 20 -21.694 6.546 -6.838 1.00 0.00 H new ATOM 1773 N SER B 21 -24.999 2.910 -8.903 1.00 0.00 N ATOM 1774 CA SER B 21 -26.187 3.020 -9.741 1.00 0.00 C ATOM 1775 C SER B 21 -27.453 2.941 -8.895 1.00 0.00 C ATOM 1776 O SER B 21 -27.780 1.889 -8.344 1.00 0.00 O ATOM 1777 CB SER B 21 -26.190 1.914 -10.798 1.00 0.00 C ATOM 1778 OG SER B 21 -25.707 2.396 -12.041 1.00 0.00 O ATOM 0 H SER B 21 -24.873 1.996 -8.468 1.00 0.00 H new ATOM 0 HA SER B 21 -26.167 3.988 -10.241 1.00 0.00 H new ATOM 0 HB2 SER B 21 -25.571 1.083 -10.461 1.00 0.00 H new ATOM 0 HB3 SER B 21 -27.202 1.528 -10.922 1.00 0.00 H new ATOM 0 HG SER B 21 -25.717 1.670 -12.699 1.00 0.00 H new ATOM 1784 N TYR B 22 -28.161 4.061 -8.793 1.00 0.00 N ATOM 1785 CA TYR B 22 -29.389 4.118 -8.010 1.00 0.00 C ATOM 1786 C TYR B 22 -30.580 3.625 -8.827 1.00 0.00 C ATOM 1787 O TYR B 22 -31.330 4.472 -9.353 1.00 0.00 O ATOM 1788 CB TYR B 22 -29.641 5.547 -7.522 1.00 0.00 C ATOM 1789 CG TYR B 22 -30.482 5.618 -6.267 1.00 0.00 C ATOM 1790 CD1 TYR B 22 -31.858 5.432 -6.319 1.00 0.00 C ATOM 1791 CD2 TYR B 22 -29.900 5.868 -5.031 1.00 0.00 C ATOM 1792 CE1 TYR B 22 -32.630 5.495 -5.176 1.00 0.00 C ATOM 1793 CE2 TYR B 22 -30.664 5.932 -3.882 1.00 0.00 C ATOM 1794 CZ TYR B 22 -32.029 5.746 -3.958 1.00 0.00 C ATOM 1795 OH TYR B 22 -32.793 5.809 -2.813 1.00 0.00 O ATOM 1796 OXT TYR B 22 -30.751 2.393 -8.933 1.00 0.00 O ATOM 0 H TYR B 22 -27.905 4.940 -9.242 1.00 0.00 H new ATOM 0 HA TYR B 22 -29.272 3.463 -7.146 1.00 0.00 H new ATOM 0 HB2 TYR B 22 -28.683 6.033 -7.336 1.00 0.00 H new ATOM 0 HB3 TYR B 22 -30.135 6.110 -8.313 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -32.332 5.235 -7.269 1.00 0.00 H new ATOM 0 HD2 TYR B 22 -28.832 6.015 -4.967 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -33.698 5.349 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR B 22 -30.195 6.127 -2.929 1.00 0.00 H new ATOM 0 HH TYR B 22 -32.215 5.992 -2.043 1.00 0.00 H new TER 1806 TYR B 22