USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 35 HIS : no HD1:sc= 0.077 X(o=0.15,f=-0.0038) USER MOD Set 1.2: B 199 CYS SG : rot -31:sc= 0.0776 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -144:sc= 2.39 (180deg=1.38) USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= 1.3 (180deg=1.23) USER MOD Single : A 29 GLN : amide:sc= 0.0599 K(o=0.06,f=-1.4) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -131:sc= 1.25 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -130:sc= 0.489 (180deg=-1.53!) USER MOD Single : A 40 MET CE :methyl 169:sc= -0.0296 (180deg=-0.21) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -66:sc= 0.124 USER MOD Single : A 43 HIS : no HE2:sc= -3.99! C(o=-4!,f=-8.3!) USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= 1.28 (180deg=1.12) USER MOD Single : A 46 LYS NZ :NH3+ 154:sc= 1.29 (180deg=1.18) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 2.13 (180deg=1.81) USER MOD Single : A 50 SER OG : rot 75:sc= 1.21 USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 52 CYS SG : rot 55:sc= -0.915! USER MOD Single : A 53 GLN : amide:sc= -1.05 K(o=-1.1,f=-3.6!) USER MOD Single : A 55 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.56) USER MOD Single : A 59 MET CE :methyl 172:sc= 0 (180deg=-0.093) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -82:sc= 1.27 USER MOD Single : A 69 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.9) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 75 HIS : no HD1:sc= 0.734 K(o=0.73,f=-5.4!) USER MOD Single : A 76 THR OG1 : rot -64:sc= 1.25 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 148:sc= 1.27 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc=-0.00504 K(o=-0.005,f=-0.94) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.653 -6.077 -0.094 1.00 10.00 N ATOM 2 CA TYR A 21 12.224 -6.013 -0.375 1.00 10.00 C ATOM 3 C TYR A 21 11.413 -6.289 0.884 1.00 10.00 C ATOM 4 O TYR A 21 11.776 -7.146 1.694 1.00 10.00 O ATOM 5 CB TYR A 21 11.836 -7.031 -1.448 1.00 10.00 C ATOM 6 CG TYR A 21 12.395 -6.742 -2.820 1.00 10.00 C ATOM 7 CD1 TYR A 21 11.742 -5.882 -3.693 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.567 -7.350 -3.252 1.00 10.00 C ATOM 9 CE1 TYR A 21 12.242 -5.636 -4.957 1.00 10.00 C ATOM 10 CE2 TYR A 21 14.073 -7.104 -4.510 1.00 10.00 C ATOM 11 CZ TYR A 21 13.408 -6.250 -5.360 1.00 10.00 C ATOM 12 OH TYR A 21 13.908 -6.013 -6.618 1.00 10.00 O ATOM 0 HA TYR A 21 12.005 -5.007 -0.734 1.00 10.00 H new ATOM 0 HB2 TYR A 21 12.174 -8.018 -1.133 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.749 -7.073 -1.514 1.00 10.00 H new ATOM 0 HD1 TYR A 21 10.829 -5.398 -3.379 1.00 10.00 H new ATOM 0 HD2 TYR A 21 14.090 -8.026 -2.592 1.00 10.00 H new ATOM 0 HE1 TYR A 21 11.722 -4.966 -5.626 1.00 10.00 H new ATOM 0 HE2 TYR A 21 14.989 -7.580 -4.828 1.00 10.00 H new ATOM 0 HH TYR A 21 14.736 -6.522 -6.742 1.00 10.00 H new ATOM 22 N ILE A 22 10.323 -5.558 1.042 1.00 10.00 N ATOM 23 CA ILE A 22 9.437 -5.726 2.187 1.00 10.00 C ATOM 24 C ILE A 22 8.025 -6.009 1.686 1.00 10.00 C ATOM 25 O ILE A 22 7.415 -5.165 1.032 1.00 10.00 O ATOM 26 CB ILE A 22 9.421 -4.474 3.095 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.838 -4.127 3.570 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.495 -4.690 4.287 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.483 -5.209 4.411 1.00 10.00 C ATOM 0 H ILE A 22 10.026 -4.835 0.386 1.00 10.00 H new ATOM 0 HA ILE A 22 9.808 -6.560 2.782 1.00 10.00 H new ATOM 0 HB ILE A 22 9.043 -3.635 2.511 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.466 -3.934 2.700 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.801 -3.204 4.148 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.496 -3.799 4.915 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.483 -4.882 3.931 1.00 10.00 H new ATOM 0 HG23 ILE A 22 8.843 -5.544 4.868 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.482 -4.891 4.709 1.00 10.00 H new ATOM 0 HD12 ILE A 22 10.879 -5.387 5.300 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.553 -6.128 3.830 1.00 10.00 H new ATOM 41 N LYS A 23 7.516 -7.195 1.978 1.00 10.00 N ATOM 42 CA LYS A 23 6.186 -7.579 1.532 1.00 10.00 C ATOM 43 C LYS A 23 5.135 -7.267 2.590 1.00 10.00 C ATOM 44 O LYS A 23 5.188 -7.787 3.709 1.00 10.00 O ATOM 45 CB LYS A 23 6.156 -9.066 1.192 1.00 10.00 C ATOM 46 CG LYS A 23 4.845 -9.531 0.579 1.00 10.00 C ATOM 47 CD LYS A 23 4.625 -11.015 0.817 1.00 10.00 C ATOM 48 CE LYS A 23 4.293 -11.299 2.272 1.00 10.00 C ATOM 49 NZ LYS A 23 5.244 -12.261 2.882 1.00 10.00 N ATOM 0 H LYS A 23 8.003 -7.908 2.521 1.00 10.00 H new ATOM 0 HA LYS A 23 5.951 -6.999 0.640 1.00 10.00 H new ATOM 0 HB2 LYS A 23 6.968 -9.287 0.499 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.346 -9.640 2.099 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.018 -8.964 1.008 1.00 10.00 H new ATOM 0 HG3 LYS A 23 4.849 -9.328 -0.492 1.00 10.00 H new ATOM 0 HD2 LYS A 23 3.815 -11.371 0.181 1.00 10.00 H new ATOM 0 HD3 LYS A 23 5.520 -11.568 0.532 1.00 10.00 H new ATOM 0 HE2 LYS A 23 4.309 -10.366 2.836 1.00 10.00 H new ATOM 0 HE3 LYS A 23 3.280 -11.697 2.342 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 4.736 -12.876 3.550 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 5.676 -12.843 2.136 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 5.988 -11.740 3.389 1.00 10.00 H new ATOM 63 N LEU A 24 4.184 -6.423 2.227 1.00 10.00 N ATOM 64 CA LEU A 24 3.109 -6.040 3.126 1.00 10.00 C ATOM 65 C LEU A 24 1.854 -6.838 2.795 1.00 10.00 C ATOM 66 O LEU A 24 1.549 -7.068 1.621 1.00 10.00 O ATOM 67 CB LEU A 24 2.826 -4.541 3.002 1.00 10.00 C ATOM 68 CG LEU A 24 4.055 -3.637 3.139 1.00 10.00 C ATOM 69 CD1 LEU A 24 3.712 -2.214 2.736 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.594 -3.674 4.562 1.00 10.00 C ATOM 0 H LEU A 24 4.135 -5.986 1.306 1.00 10.00 H new ATOM 0 HA LEU A 24 3.409 -6.255 4.152 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.361 -4.353 2.034 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.100 -4.259 3.764 1.00 10.00 H new ATOM 0 HG LEU A 24 4.832 -4.009 2.471 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.595 -1.584 2.839 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.375 -2.201 1.699 1.00 10.00 H new ATOM 0 HD13 LEU A 24 2.919 -1.835 3.380 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.467 -3.025 4.638 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.824 -3.328 5.252 1.00 10.00 H new ATOM 0 HD23 LEU A 24 4.878 -4.695 4.817 1.00 10.00 H new ATOM 82 N LYS A 25 1.140 -7.271 3.821 1.00 10.00 N ATOM 83 CA LYS A 25 -0.073 -8.048 3.623 1.00 10.00 C ATOM 84 C LYS A 25 -1.281 -7.137 3.458 1.00 10.00 C ATOM 85 O LYS A 25 -1.870 -6.679 4.440 1.00 10.00 O ATOM 86 CB LYS A 25 -0.302 -9.013 4.790 1.00 10.00 C ATOM 87 CG LYS A 25 0.729 -10.127 4.871 1.00 10.00 C ATOM 88 CD LYS A 25 0.182 -11.345 5.602 1.00 10.00 C ATOM 89 CE LYS A 25 -0.933 -12.018 4.813 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.280 -13.357 5.358 1.00 10.00 N ATOM 0 H LYS A 25 1.378 -7.098 4.798 1.00 10.00 H new ATOM 0 HA LYS A 25 0.053 -8.629 2.710 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.290 -8.450 5.723 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.294 -9.454 4.696 1.00 10.00 H new ATOM 0 HG2 LYS A 25 1.036 -10.413 3.865 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.619 -9.763 5.384 1.00 10.00 H new ATOM 0 HD2 LYS A 25 0.988 -12.058 5.775 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -0.194 -11.045 6.580 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.818 -11.382 4.825 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.628 -12.120 3.772 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -1.774 -13.911 4.630 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.410 -13.853 5.640 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -1.899 -13.245 6.186 1.00 10.00 H new ATOM 104 N VAL A 26 -1.625 -6.861 2.211 1.00 10.00 N ATOM 105 CA VAL A 26 -2.767 -6.022 1.902 1.00 10.00 C ATOM 106 C VAL A 26 -4.022 -6.877 1.844 1.00 10.00 C ATOM 107 O VAL A 26 -4.224 -7.639 0.898 1.00 10.00 O ATOM 108 CB VAL A 26 -2.591 -5.284 0.557 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.801 -4.412 0.260 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.316 -4.453 0.559 1.00 10.00 C ATOM 0 H VAL A 26 -1.125 -7.209 1.393 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.852 -5.272 2.689 1.00 10.00 H new ATOM 0 HB VAL A 26 -2.507 -6.032 -0.232 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.656 -3.901 -0.692 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.694 -5.035 0.206 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.921 -3.674 1.053 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.213 -3.942 -0.398 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.364 -3.716 1.360 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.457 -5.105 0.717 1.00 10.00 H new ATOM 120 N ILE A 27 -4.849 -6.768 2.866 1.00 10.00 N ATOM 121 CA ILE A 27 -6.072 -7.548 2.927 1.00 10.00 C ATOM 122 C ILE A 27 -7.280 -6.692 2.573 1.00 10.00 C ATOM 123 O ILE A 27 -7.564 -5.690 3.236 1.00 10.00 O ATOM 124 CB ILE A 27 -6.283 -8.173 4.322 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.005 -8.871 4.804 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.448 -9.153 4.290 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.580 -10.042 3.940 1.00 10.00 C ATOM 0 H ILE A 27 -4.698 -6.150 3.663 1.00 10.00 H new ATOM 0 HA ILE A 27 -5.970 -8.352 2.198 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.519 -7.374 5.025 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.195 -8.143 4.835 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.158 -9.222 5.825 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.586 -9.587 5.280 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.357 -8.629 3.994 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.237 -9.946 3.573 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.669 -10.482 4.346 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.371 -10.792 3.928 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.394 -9.695 2.924 1.00 10.00 H new ATOM 139 N GLY A 28 -7.970 -7.077 1.510 1.00 10.00 N ATOM 140 CA GLY A 28 -9.150 -6.351 1.090 1.00 10.00 C ATOM 141 C GLY A 28 -10.381 -6.812 1.842 1.00 10.00 C ATOM 142 O GLY A 28 -10.346 -7.840 2.521 1.00 10.00 O ATOM 0 H GLY A 28 -7.733 -7.881 0.929 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -9.000 -5.284 1.255 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.303 -6.490 0.020 1.00 10.00 H new ATOM 146 N GLN A 29 -11.476 -6.071 1.711 1.00 10.00 N ATOM 147 CA GLN A 29 -12.719 -6.416 2.400 1.00 10.00 C ATOM 148 C GLN A 29 -13.313 -7.712 1.844 1.00 10.00 C ATOM 149 O GLN A 29 -14.119 -8.375 2.501 1.00 10.00 O ATOM 150 CB GLN A 29 -13.729 -5.268 2.287 1.00 10.00 C ATOM 151 CG GLN A 29 -14.972 -5.453 3.149 1.00 10.00 C ATOM 152 CD GLN A 29 -14.648 -5.716 4.608 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.536 -4.789 5.409 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.499 -6.981 4.963 1.00 10.00 N ATOM 0 H GLN A 29 -11.531 -5.230 1.137 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.490 -6.576 3.454 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.238 -4.336 2.569 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -14.033 -5.166 1.245 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.594 -4.561 3.076 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.559 -6.284 2.757 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.600 -7.721 4.268 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.283 -7.217 5.932 1.00 10.00 H new ATOM 163 N ASP A 30 -12.897 -8.079 0.637 1.00 10.00 N ATOM 164 CA ASP A 30 -13.377 -9.302 0.004 1.00 10.00 C ATOM 165 C ASP A 30 -12.518 -10.492 0.428 1.00 10.00 C ATOM 166 O ASP A 30 -12.652 -11.589 -0.116 1.00 10.00 O ATOM 167 CB ASP A 30 -13.373 -9.165 -1.523 1.00 10.00 C ATOM 168 CG ASP A 30 -11.980 -9.242 -2.118 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.187 -8.300 -1.916 1.00 10.00 O ATOM 170 OD2 ASP A 30 -11.676 -10.245 -2.794 1.00 10.00 O ATOM 0 H ASP A 30 -12.229 -7.548 0.078 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.403 -9.473 0.330 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -13.991 -9.952 -1.955 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -13.829 -8.214 -1.799 1.00 10.00 H new ATOM 175 N SER A 31 -11.643 -10.256 1.409 1.00 10.00 N ATOM 176 CA SER A 31 -10.752 -11.283 1.939 1.00 10.00 C ATOM 177 C SER A 31 -9.788 -11.799 0.868 1.00 10.00 C ATOM 178 O SER A 31 -9.744 -12.992 0.568 1.00 10.00 O ATOM 179 CB SER A 31 -11.561 -12.436 2.549 1.00 10.00 C ATOM 180 OG SER A 31 -12.368 -11.978 3.626 1.00 10.00 O ATOM 0 H SER A 31 -11.535 -9.346 1.856 1.00 10.00 H new ATOM 0 HA SER A 31 -10.151 -10.828 2.726 1.00 10.00 H new ATOM 0 HB2 SER A 31 -12.192 -12.887 1.783 1.00 10.00 H new ATOM 0 HB3 SER A 31 -10.883 -13.213 2.902 1.00 10.00 H new ATOM 0 HG SER A 31 -12.875 -12.730 3.997 1.00 10.00 H new ATOM 186 N SER A 32 -9.029 -10.882 0.290 1.00 10.00 N ATOM 187 CA SER A 32 -8.046 -11.213 -0.732 1.00 10.00 C ATOM 188 C SER A 32 -6.644 -10.949 -0.184 1.00 10.00 C ATOM 189 O SER A 32 -6.331 -9.827 0.214 1.00 10.00 O ATOM 190 CB SER A 32 -8.303 -10.363 -1.978 1.00 10.00 C ATOM 191 OG SER A 32 -8.678 -9.040 -1.623 1.00 10.00 O ATOM 0 H SER A 32 -9.076 -9.888 0.515 1.00 10.00 H new ATOM 0 HA SER A 32 -8.128 -12.266 -1.003 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.406 -10.337 -2.596 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.090 -10.819 -2.578 1.00 10.00 H new ATOM 0 HG SER A 32 -9.485 -8.785 -2.117 1.00 10.00 H new ATOM 197 N GLU A 33 -5.814 -11.985 -0.128 1.00 10.00 N ATOM 198 CA GLU A 33 -4.453 -11.837 0.380 1.00 10.00 C ATOM 199 C GLU A 33 -3.542 -11.267 -0.705 1.00 10.00 C ATOM 200 O GLU A 33 -2.947 -12.009 -1.489 1.00 10.00 O ATOM 201 CB GLU A 33 -3.911 -13.180 0.880 1.00 10.00 C ATOM 202 CG GLU A 33 -4.780 -13.830 1.946 1.00 10.00 C ATOM 203 CD GLU A 33 -4.115 -13.879 3.308 1.00 10.00 C ATOM 204 OE1 GLU A 33 -4.797 -13.602 4.316 1.00 10.00 O ATOM 205 OE2 GLU A 33 -2.914 -14.212 3.383 1.00 10.00 O ATOM 0 H GLU A 33 -6.056 -12.930 -0.425 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.474 -11.143 1.220 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -3.817 -13.862 0.035 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.909 -13.031 1.282 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -5.718 -13.281 2.026 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -5.030 -14.844 1.634 1.00 10.00 H new ATOM 212 N ILE A 34 -3.457 -9.947 -0.765 1.00 10.00 N ATOM 213 CA ILE A 34 -2.619 -9.282 -1.748 1.00 10.00 C ATOM 214 C ILE A 34 -1.232 -9.020 -1.170 1.00 10.00 C ATOM 215 O ILE A 34 -1.091 -8.460 -0.082 1.00 10.00 O ATOM 216 CB ILE A 34 -3.250 -7.958 -2.229 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.647 -8.213 -2.812 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.354 -7.274 -3.255 1.00 10.00 C ATOM 219 CD1 ILE A 34 -4.676 -9.244 -3.923 1.00 10.00 C ATOM 0 H ILE A 34 -3.960 -9.315 -0.142 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.531 -9.944 -2.609 1.00 10.00 H new ATOM 0 HB ILE A 34 -3.350 -7.293 -1.371 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.309 -8.540 -2.010 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.047 -7.273 -3.193 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.818 -6.343 -3.580 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.385 -7.058 -2.805 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.217 -7.931 -4.114 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -5.699 -9.366 -4.280 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.042 -8.911 -4.745 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.308 -10.198 -3.544 1.00 10.00 H new ATOM 231 N HIS A 35 -0.219 -9.452 -1.896 1.00 10.00 N ATOM 232 CA HIS A 35 1.161 -9.296 -1.479 1.00 10.00 C ATOM 233 C HIS A 35 1.833 -8.160 -2.241 1.00 10.00 C ATOM 234 O HIS A 35 2.286 -8.338 -3.377 1.00 10.00 O ATOM 235 CB HIS A 35 1.931 -10.598 -1.720 1.00 10.00 C ATOM 236 CG HIS A 35 1.236 -11.822 -1.198 1.00 10.00 C ATOM 237 ND1 HIS A 35 0.614 -12.711 -2.045 1.00 10.00 N ATOM 238 CD2 HIS A 35 1.088 -12.249 0.078 1.00 10.00 C ATOM 239 CE1 HIS A 35 0.104 -13.654 -1.268 1.00 10.00 C ATOM 240 NE2 HIS A 35 0.365 -13.413 0.023 1.00 10.00 N ATOM 0 H HIS A 35 -0.330 -9.922 -2.794 1.00 10.00 H new ATOM 0 HA HIS A 35 1.170 -9.057 -0.416 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.099 -10.716 -2.790 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.912 -10.521 -1.250 1.00 10.00 H new ATOM 0 HD2 HIS A 35 1.466 -11.766 0.967 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -0.451 -14.507 -1.629 1.00 10.00 H new ATOM 0 HE2 HIS A 35 0.080 -13.987 0.816 1.00 10.00 H new ATOM 248 N PHE A 36 1.873 -6.989 -1.632 1.00 10.00 N ATOM 249 CA PHE A 36 2.513 -5.841 -2.248 1.00 10.00 C ATOM 250 C PHE A 36 3.877 -5.644 -1.605 1.00 10.00 C ATOM 251 O PHE A 36 3.972 -5.352 -0.411 1.00 10.00 O ATOM 252 CB PHE A 36 1.651 -4.581 -2.093 1.00 10.00 C ATOM 253 CG PHE A 36 1.799 -3.599 -3.225 1.00 10.00 C ATOM 254 CD1 PHE A 36 3.039 -3.348 -3.794 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.691 -2.934 -3.727 1.00 10.00 C ATOM 256 CE1 PHE A 36 3.169 -2.455 -4.838 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.816 -2.038 -4.772 1.00 10.00 C ATOM 258 CZ PHE A 36 2.056 -1.799 -5.328 1.00 10.00 C ATOM 0 H PHE A 36 1.470 -6.808 -0.712 1.00 10.00 H new ATOM 0 HA PHE A 36 2.632 -6.021 -3.316 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.605 -4.876 -2.015 1.00 10.00 H new ATOM 0 HB3 PHE A 36 1.913 -4.086 -1.158 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.913 -3.857 -3.415 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.282 -3.118 -3.296 1.00 10.00 H new ATOM 0 HE1 PHE A 36 4.140 -2.269 -5.272 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -0.055 -1.526 -5.153 1.00 10.00 H new ATOM 0 HZ PHE A 36 2.157 -1.100 -6.145 1.00 10.00 H new ATOM 268 N LYS A 37 4.929 -5.835 -2.383 1.00 10.00 N ATOM 269 CA LYS A 37 6.277 -5.688 -1.864 1.00 10.00 C ATOM 270 C LYS A 37 6.882 -4.354 -2.268 1.00 10.00 C ATOM 271 O LYS A 37 6.825 -3.950 -3.431 1.00 10.00 O ATOM 272 CB LYS A 37 7.171 -6.855 -2.304 1.00 10.00 C ATOM 273 CG LYS A 37 7.082 -7.194 -3.783 1.00 10.00 C ATOM 274 CD LYS A 37 7.646 -8.578 -4.064 1.00 10.00 C ATOM 275 CE LYS A 37 9.138 -8.653 -3.778 1.00 10.00 C ATOM 276 NZ LYS A 37 9.514 -9.932 -3.118 1.00 10.00 N ATOM 0 H LYS A 37 4.876 -6.090 -3.369 1.00 10.00 H new ATOM 0 HA LYS A 37 6.214 -5.707 -0.776 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.206 -6.615 -2.061 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.904 -7.739 -1.725 1.00 10.00 H new ATOM 0 HG2 LYS A 37 6.042 -7.149 -4.107 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.629 -6.451 -4.363 1.00 10.00 H new ATOM 0 HD2 LYS A 37 7.122 -9.314 -3.454 1.00 10.00 H new ATOM 0 HD3 LYS A 37 7.463 -8.840 -5.106 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.692 -8.550 -4.711 1.00 10.00 H new ATOM 0 HE3 LYS A 37 9.428 -7.817 -3.141 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.539 -9.943 -2.941 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 9.005 -10.019 -2.215 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 9.261 -10.729 -3.736 1.00 10.00 H new ATOM 290 N VAL A 38 7.439 -3.674 -1.283 1.00 10.00 N ATOM 291 CA VAL A 38 8.065 -2.381 -1.487 1.00 10.00 C ATOM 292 C VAL A 38 9.576 -2.499 -1.353 1.00 10.00 C ATOM 293 O VAL A 38 10.094 -3.542 -0.942 1.00 10.00 O ATOM 294 CB VAL A 38 7.547 -1.339 -0.471 1.00 10.00 C ATOM 295 CG1 VAL A 38 6.050 -1.134 -0.630 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.876 -1.756 0.958 1.00 10.00 C ATOM 0 H VAL A 38 7.470 -4.003 -0.318 1.00 10.00 H new ATOM 0 HA VAL A 38 7.808 -2.047 -2.492 1.00 10.00 H new ATOM 0 HB VAL A 38 8.051 -0.394 -0.674 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.705 -0.397 0.095 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.836 -0.780 -1.638 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.533 -2.079 -0.460 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.500 -1.004 1.652 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.407 -2.716 1.174 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.956 -1.846 1.071 1.00 10.00 H new ATOM 306 N LYS A 39 10.275 -1.429 -1.692 1.00 10.00 N ATOM 307 CA LYS A 39 11.723 -1.406 -1.601 1.00 10.00 C ATOM 308 C LYS A 39 12.156 -0.208 -0.771 1.00 10.00 C ATOM 309 O LYS A 39 11.472 0.819 -0.756 1.00 10.00 O ATOM 310 CB LYS A 39 12.352 -1.338 -2.996 1.00 10.00 C ATOM 311 CG LYS A 39 13.414 -2.402 -3.240 1.00 10.00 C ATOM 312 CD LYS A 39 13.958 -2.339 -4.657 1.00 10.00 C ATOM 313 CE LYS A 39 15.031 -1.270 -4.804 1.00 10.00 C ATOM 314 NZ LYS A 39 15.452 -1.103 -6.219 1.00 10.00 N ATOM 0 H LYS A 39 9.860 -0.562 -2.034 1.00 10.00 H new ATOM 0 HA LYS A 39 12.063 -2.323 -1.121 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.567 -1.442 -3.745 1.00 10.00 H new ATOM 0 HB3 LYS A 39 12.798 -0.353 -3.137 1.00 10.00 H new ATOM 0 HG2 LYS A 39 14.231 -2.270 -2.530 1.00 10.00 H new ATOM 0 HG3 LYS A 39 12.989 -3.389 -3.057 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.372 -3.309 -4.931 1.00 10.00 H new ATOM 0 HD3 LYS A 39 13.143 -2.133 -5.350 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.654 -0.321 -4.422 1.00 10.00 H new ATOM 0 HE3 LYS A 39 15.896 -1.537 -4.196 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.490 -1.137 -6.279 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.047 -1.869 -6.794 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 15.114 -0.186 -6.576 1.00 10.00 H new ATOM 328 N MET A 40 13.281 -0.334 -0.081 1.00 10.00 N ATOM 329 CA MET A 40 13.791 0.751 0.754 1.00 10.00 C ATOM 330 C MET A 40 14.415 1.844 -0.112 1.00 10.00 C ATOM 331 O MET A 40 15.626 2.064 -0.097 1.00 10.00 O ATOM 332 CB MET A 40 14.807 0.216 1.767 1.00 10.00 C ATOM 333 CG MET A 40 15.018 1.138 2.961 1.00 10.00 C ATOM 334 SD MET A 40 13.476 1.561 3.802 1.00 10.00 S ATOM 335 CE MET A 40 12.923 -0.048 4.364 1.00 10.00 C ATOM 0 H MET A 40 13.859 -1.174 -0.081 1.00 10.00 H new ATOM 0 HA MET A 40 12.957 1.186 1.304 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.473 -0.758 2.125 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.762 0.061 1.265 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.693 0.658 3.670 1.00 10.00 H new ATOM 0 HG3 MET A 40 15.506 2.053 2.626 1.00 10.00 H new ATOM 0 HE1 MET A 40 12.094 0.075 5.061 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.594 -0.639 3.509 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.744 -0.561 4.865 1.00 10.00 H new ATOM 345 N THR A 41 13.561 2.517 -0.868 1.00 10.00 N ATOM 346 CA THR A 41 13.964 3.590 -1.767 1.00 10.00 C ATOM 347 C THR A 41 12.729 4.179 -2.430 1.00 10.00 C ATOM 348 O THR A 41 12.719 5.335 -2.853 1.00 10.00 O ATOM 349 CB THR A 41 14.933 3.095 -2.873 1.00 10.00 C ATOM 350 OG1 THR A 41 15.653 4.202 -3.437 1.00 10.00 O ATOM 351 CG2 THR A 41 14.180 2.362 -3.985 1.00 10.00 C ATOM 0 H THR A 41 12.558 2.332 -0.875 1.00 10.00 H new ATOM 0 HA THR A 41 14.485 4.339 -1.171 1.00 10.00 H new ATOM 0 HB THR A 41 15.633 2.400 -2.410 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.262 3.876 -4.132 1.00 10.00 H new ATOM 0 HG21 THR A 41 14.887 2.028 -4.744 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.663 1.499 -3.566 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.453 3.036 -4.438 1.00 10.00 H new ATOM 359 N THR A 42 11.691 3.359 -2.515 1.00 10.00 N ATOM 360 CA THR A 42 10.456 3.759 -3.144 1.00 10.00 C ATOM 361 C THR A 42 9.619 4.604 -2.204 1.00 10.00 C ATOM 362 O THR A 42 9.430 4.242 -1.039 1.00 10.00 O ATOM 363 CB THR A 42 9.640 2.519 -3.580 1.00 10.00 C ATOM 364 OG1 THR A 42 9.010 1.909 -2.443 1.00 10.00 O ATOM 365 CG2 THR A 42 10.535 1.489 -4.246 1.00 10.00 C ATOM 0 H THR A 42 11.688 2.406 -2.151 1.00 10.00 H new ATOM 0 HA THR A 42 10.710 4.351 -4.023 1.00 10.00 H new ATOM 0 HB THR A 42 8.883 2.856 -4.289 1.00 10.00 H new ATOM 0 HG1 THR A 42 9.696 1.549 -1.843 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.938 0.627 -4.544 1.00 10.00 H new ATOM 0 HG22 THR A 42 11.002 1.928 -5.127 1.00 10.00 H new ATOM 0 HG23 THR A 42 11.308 1.171 -3.546 1.00 10.00 H new ATOM 373 N HIS A 43 9.139 5.733 -2.696 1.00 10.00 N ATOM 374 CA HIS A 43 8.290 6.588 -1.892 1.00 10.00 C ATOM 375 C HIS A 43 6.894 5.983 -1.919 1.00 10.00 C ATOM 376 O HIS A 43 6.503 5.368 -2.915 1.00 10.00 O ATOM 377 CB HIS A 43 8.225 8.031 -2.424 1.00 10.00 C ATOM 378 CG HIS A 43 9.516 8.639 -2.922 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.491 9.806 -3.652 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.817 8.249 -2.778 1.00 10.00 C ATOM 381 CE1 HIS A 43 10.746 10.091 -3.928 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.575 9.184 -3.416 1.00 10.00 N ATOM 0 H HIS A 43 9.322 6.075 -3.640 1.00 10.00 H new ATOM 0 HA HIS A 43 8.700 6.643 -0.884 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.501 8.059 -3.239 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.835 8.667 -1.629 1.00 10.00 H new ATOM 0 HD1 HIS A 43 8.667 10.341 -3.924 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.175 7.371 -2.260 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.063 10.952 -4.498 1.00 10.00 H new ATOM 390 N LEU A 44 6.130 6.149 -0.851 1.00 10.00 N ATOM 391 CA LEU A 44 4.788 5.578 -0.807 1.00 10.00 C ATOM 392 C LEU A 44 3.815 6.345 -1.701 1.00 10.00 C ATOM 393 O LEU A 44 2.667 5.938 -1.868 1.00 10.00 O ATOM 394 CB LEU A 44 4.271 5.511 0.631 1.00 10.00 C ATOM 395 CG LEU A 44 4.980 4.479 1.516 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.360 4.440 2.904 1.00 10.00 C ATOM 397 CD2 LEU A 44 4.927 3.102 0.870 1.00 10.00 C ATOM 0 H LEU A 44 6.407 6.664 -0.015 1.00 10.00 H new ATOM 0 HA LEU A 44 4.854 4.562 -1.196 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.376 6.495 1.087 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.206 5.282 0.610 1.00 10.00 H new ATOM 0 HG LEU A 44 6.024 4.776 1.619 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.879 3.701 3.514 1.00 10.00 H new ATOM 0 HD12 LEU A 44 4.449 5.421 3.370 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.307 4.170 2.825 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.434 2.380 1.510 1.00 10.00 H new ATOM 0 HD22 LEU A 44 3.887 2.802 0.738 1.00 10.00 H new ATOM 0 HD23 LEU A 44 5.421 3.136 -0.101 1.00 10.00 H new ATOM 409 N LYS A 45 4.288 7.441 -2.291 1.00 10.00 N ATOM 410 CA LYS A 45 3.473 8.252 -3.191 1.00 10.00 C ATOM 411 C LYS A 45 3.037 7.425 -4.400 1.00 10.00 C ATOM 412 O LYS A 45 1.844 7.313 -4.698 1.00 10.00 O ATOM 413 CB LYS A 45 4.271 9.480 -3.646 1.00 10.00 C ATOM 414 CG LYS A 45 3.575 10.326 -4.698 1.00 10.00 C ATOM 415 CD LYS A 45 2.583 11.287 -4.066 1.00 10.00 C ATOM 416 CE LYS A 45 1.884 12.134 -5.113 1.00 10.00 C ATOM 417 NZ LYS A 45 1.044 13.192 -4.491 1.00 10.00 N ATOM 0 H LYS A 45 5.238 7.789 -2.160 1.00 10.00 H new ATOM 0 HA LYS A 45 2.581 8.585 -2.661 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.482 10.103 -2.777 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.231 9.148 -4.041 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.317 10.887 -5.266 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.057 9.678 -5.405 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.842 10.725 -3.498 1.00 10.00 H new ATOM 0 HD3 LYS A 45 3.102 11.935 -3.360 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.627 12.595 -5.764 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.261 11.497 -5.741 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 0.336 13.522 -5.178 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.561 12.805 -3.655 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 1.646 13.990 -4.204 1.00 10.00 H new ATOM 431 N LYS A 46 4.012 6.826 -5.076 1.00 10.00 N ATOM 432 CA LYS A 46 3.741 5.999 -6.243 1.00 10.00 C ATOM 433 C LYS A 46 3.005 4.726 -5.832 1.00 10.00 C ATOM 434 O LYS A 46 2.223 4.172 -6.602 1.00 10.00 O ATOM 435 CB LYS A 46 5.053 5.648 -6.954 1.00 10.00 C ATOM 436 CG LYS A 46 4.864 5.079 -8.354 1.00 10.00 C ATOM 437 CD LYS A 46 6.189 4.978 -9.096 1.00 10.00 C ATOM 438 CE LYS A 46 6.585 6.312 -9.704 1.00 10.00 C ATOM 439 NZ LYS A 46 8.043 6.385 -9.963 1.00 10.00 N ATOM 0 H LYS A 46 5.000 6.899 -4.833 1.00 10.00 H new ATOM 0 HA LYS A 46 3.107 6.559 -6.930 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.671 6.543 -7.017 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.600 4.925 -6.349 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.406 4.092 -8.288 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.178 5.712 -8.916 1.00 10.00 H new ATOM 0 HD2 LYS A 46 6.967 4.643 -8.410 1.00 10.00 H new ATOM 0 HD3 LYS A 46 6.112 4.227 -9.882 1.00 10.00 H new ATOM 0 HE2 LYS A 46 6.042 6.462 -10.637 1.00 10.00 H new ATOM 0 HE3 LYS A 46 6.294 7.119 -9.032 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 8.225 7.057 -10.736 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 8.533 6.705 -9.103 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 8.395 5.444 -10.232 1.00 10.00 H new ATOM 453 N LEU A 47 3.252 4.280 -4.607 1.00 10.00 N ATOM 454 CA LEU A 47 2.620 3.074 -4.075 1.00 10.00 C ATOM 455 C LEU A 47 1.104 3.226 -4.036 1.00 10.00 C ATOM 456 O LEU A 47 0.362 2.317 -4.422 1.00 10.00 O ATOM 457 CB LEU A 47 3.125 2.791 -2.655 1.00 10.00 C ATOM 458 CG LEU A 47 4.223 1.733 -2.529 1.00 10.00 C ATOM 459 CD1 LEU A 47 3.760 0.417 -3.121 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.508 2.203 -3.193 1.00 10.00 C ATOM 0 H LEU A 47 3.891 4.738 -3.957 1.00 10.00 H new ATOM 0 HA LEU A 47 2.881 2.245 -4.733 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.497 3.724 -2.231 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.277 2.480 -2.045 1.00 10.00 H new ATOM 0 HG LEU A 47 4.431 1.579 -1.470 1.00 10.00 H new ATOM 0 HD11 LEU A 47 4.553 -0.325 -3.023 1.00 10.00 H new ATOM 0 HD12 LEU A 47 2.873 0.072 -2.591 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.521 0.556 -4.175 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.273 1.434 -3.090 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.323 2.392 -4.251 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.850 3.121 -2.715 1.00 10.00 H new ATOM 472 N LYS A 48 0.660 4.384 -3.573 1.00 10.00 N ATOM 473 CA LYS A 48 -0.760 4.676 -3.444 1.00 10.00 C ATOM 474 C LYS A 48 -1.477 4.656 -4.792 1.00 10.00 C ATOM 475 O LYS A 48 -2.519 4.015 -4.932 1.00 10.00 O ATOM 476 CB LYS A 48 -0.955 6.031 -2.762 1.00 10.00 C ATOM 477 CG LYS A 48 -0.432 6.065 -1.331 1.00 10.00 C ATOM 478 CD LYS A 48 -0.639 7.425 -0.682 1.00 10.00 C ATOM 479 CE LYS A 48 -2.107 7.697 -0.412 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.309 8.954 0.355 1.00 10.00 N ATOM 0 H LYS A 48 1.271 5.146 -3.277 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.202 3.891 -2.830 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.448 6.800 -3.345 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.016 6.280 -2.760 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -0.939 5.301 -0.741 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.630 5.819 -1.327 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.082 7.471 0.254 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.237 8.203 -1.331 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.644 7.760 -1.358 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.534 6.861 0.142 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.317 9.209 0.344 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -1.998 8.815 1.338 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -1.753 9.719 -0.079 1.00 10.00 H new ATOM 494 N GLU A 49 -0.919 5.336 -5.785 1.00 10.00 N ATOM 495 CA GLU A 49 -1.548 5.397 -7.102 1.00 10.00 C ATOM 496 C GLU A 49 -1.448 4.065 -7.846 1.00 10.00 C ATOM 497 O GLU A 49 -2.386 3.669 -8.534 1.00 10.00 O ATOM 498 CB GLU A 49 -0.956 6.525 -7.949 1.00 10.00 C ATOM 499 CG GLU A 49 0.558 6.511 -8.041 1.00 10.00 C ATOM 500 CD GLU A 49 1.072 7.485 -9.074 1.00 10.00 C ATOM 501 OE1 GLU A 49 1.385 7.052 -10.203 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.150 8.692 -8.768 1.00 10.00 O ATOM 0 H GLU A 49 -0.041 5.849 -5.708 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.605 5.607 -6.936 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -1.370 6.463 -8.956 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -1.274 7.481 -7.533 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.982 6.758 -7.068 1.00 10.00 H new ATOM 0 HG3 GLU A 49 0.897 5.506 -8.291 1.00 10.00 H new ATOM 509 N SER A 50 -0.328 3.366 -7.689 1.00 10.00 N ATOM 510 CA SER A 50 -0.131 2.088 -8.368 1.00 10.00 C ATOM 511 C SER A 50 -1.179 1.061 -7.943 1.00 10.00 C ATOM 512 O SER A 50 -1.666 0.282 -8.767 1.00 10.00 O ATOM 513 CB SER A 50 1.274 1.553 -8.100 1.00 10.00 C ATOM 514 OG SER A 50 2.256 2.422 -8.641 1.00 10.00 O ATOM 0 H SER A 50 0.453 3.660 -7.102 1.00 10.00 H new ATOM 0 HA SER A 50 -0.246 2.260 -9.438 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.429 1.446 -7.026 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.380 0.560 -8.538 1.00 10.00 H new ATOM 0 HG SER A 50 2.336 3.218 -8.075 1.00 10.00 H new ATOM 520 N TYR A 51 -1.542 1.066 -6.663 1.00 10.00 N ATOM 521 CA TYR A 51 -2.541 0.131 -6.163 1.00 10.00 C ATOM 522 C TYR A 51 -3.909 0.452 -6.758 1.00 10.00 C ATOM 523 O TYR A 51 -4.710 -0.446 -7.022 1.00 10.00 O ATOM 524 CB TYR A 51 -2.613 0.167 -4.633 1.00 10.00 C ATOM 525 CG TYR A 51 -3.579 -0.849 -4.060 1.00 10.00 C ATOM 526 CD1 TYR A 51 -3.256 -2.201 -4.028 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.818 -0.459 -3.565 1.00 10.00 C ATOM 528 CE1 TYR A 51 -4.140 -3.134 -3.520 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.705 -1.385 -3.053 1.00 10.00 C ATOM 530 CZ TYR A 51 -5.362 -2.722 -3.034 1.00 10.00 C ATOM 531 OH TYR A 51 -6.245 -3.648 -2.529 1.00 10.00 O ATOM 0 H TYR A 51 -1.163 1.701 -5.961 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.245 -0.873 -6.467 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.619 -0.015 -4.224 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -2.912 1.165 -4.313 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -2.299 -2.527 -4.406 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.091 0.586 -3.581 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -3.874 -4.181 -3.504 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.662 -1.065 -2.669 1.00 10.00 H new ATOM 0 HH TYR A 51 -5.747 -4.400 -2.147 1.00 10.00 H new ATOM 541 N CYS A 52 -4.159 1.735 -6.985 1.00 10.00 N ATOM 542 CA CYS A 52 -5.423 2.179 -7.553 1.00 10.00 C ATOM 543 C CYS A 52 -5.566 1.666 -8.983 1.00 10.00 C ATOM 544 O CYS A 52 -6.636 1.207 -9.387 1.00 10.00 O ATOM 545 CB CYS A 52 -5.509 3.705 -7.513 1.00 10.00 C ATOM 546 SG CYS A 52 -5.303 4.404 -5.855 1.00 10.00 S ATOM 0 H CYS A 52 -3.501 2.487 -6.783 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.242 1.772 -6.960 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.745 4.120 -8.170 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.475 4.016 -7.911 1.00 10.00 H new ATOM 0 HG CYS A 52 -4.189 3.976 -5.339 1.00 10.00 H new ATOM 552 N GLN A 53 -4.470 1.718 -9.735 1.00 10.00 N ATOM 553 CA GLN A 53 -4.458 1.240 -11.116 1.00 10.00 C ATOM 554 C GLN A 53 -4.702 -0.264 -11.144 1.00 10.00 C ATOM 555 O GLN A 53 -5.355 -0.789 -12.047 1.00 10.00 O ATOM 556 CB GLN A 53 -3.109 1.534 -11.774 1.00 10.00 C ATOM 557 CG GLN A 53 -2.652 2.975 -11.652 1.00 10.00 C ATOM 558 CD GLN A 53 -1.169 3.130 -11.927 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.380 2.216 -11.679 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.782 4.282 -12.452 1.00 10.00 N ATOM 0 H GLN A 53 -3.576 2.087 -9.411 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.246 1.756 -11.664 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.353 0.887 -11.329 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -3.170 1.273 -12.831 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.216 3.594 -12.350 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.874 3.341 -10.650 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.468 5.012 -12.642 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.203 4.439 -12.667 1.00 10.00 H new ATOM 569 N ARG A 54 -4.172 -0.936 -10.127 1.00 10.00 N ATOM 570 CA ARG A 54 -4.288 -2.381 -9.988 1.00 10.00 C ATOM 571 C ARG A 54 -5.736 -2.805 -9.738 1.00 10.00 C ATOM 572 O ARG A 54 -6.153 -3.889 -10.154 1.00 10.00 O ATOM 573 CB ARG A 54 -3.394 -2.854 -8.838 1.00 10.00 C ATOM 574 CG ARG A 54 -3.287 -4.362 -8.721 1.00 10.00 C ATOM 575 CD ARG A 54 -2.548 -4.960 -9.904 1.00 10.00 C ATOM 576 NE ARG A 54 -2.559 -6.416 -9.869 1.00 10.00 N ATOM 577 CZ ARG A 54 -1.636 -7.181 -10.443 1.00 10.00 C ATOM 578 NH1 ARG A 54 -0.624 -6.630 -11.103 1.00 10.00 N ATOM 579 NH2 ARG A 54 -1.729 -8.502 -10.359 1.00 10.00 N ATOM 0 H ARG A 54 -3.648 -0.491 -9.374 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.965 -2.844 -10.921 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.395 -2.438 -8.973 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.782 -2.454 -7.901 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -2.768 -4.621 -7.798 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.285 -4.795 -8.658 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -3.006 -4.615 -10.831 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.518 -4.604 -9.906 1.00 10.00 H new ATOM 0 HE ARG A 54 -3.322 -6.877 -9.373 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -0.552 -5.615 -11.171 1.00 10.00 H new ATOM 0 HH12 ARG A 54 0.081 -7.222 -11.542 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -2.507 -8.927 -9.855 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -1.022 -9.092 -10.798 1.00 10.00 H new ATOM 593 N GLN A 55 -6.493 -1.953 -9.058 1.00 10.00 N ATOM 594 CA GLN A 55 -7.889 -2.248 -8.755 1.00 10.00 C ATOM 595 C GLN A 55 -8.822 -1.693 -9.826 1.00 10.00 C ATOM 596 O GLN A 55 -10.000 -2.050 -9.881 1.00 10.00 O ATOM 597 CB GLN A 55 -8.262 -1.687 -7.383 1.00 10.00 C ATOM 598 CG GLN A 55 -7.682 -2.482 -6.224 1.00 10.00 C ATOM 599 CD GLN A 55 -8.214 -3.901 -6.169 1.00 10.00 C ATOM 600 OE1 GLN A 55 -7.654 -4.810 -6.778 1.00 10.00 O ATOM 601 NE2 GLN A 55 -9.295 -4.098 -5.436 1.00 10.00 N ATOM 0 H GLN A 55 -6.165 -1.054 -8.706 1.00 10.00 H new ATOM 0 HA GLN A 55 -8.007 -3.332 -8.741 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.916 -0.656 -7.315 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.348 -1.666 -7.291 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.596 -2.508 -6.313 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.913 -1.974 -5.288 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.729 -3.315 -4.946 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -9.696 -5.033 -5.360 1.00 10.00 H new ATOM 610 N GLY A 56 -8.293 -0.822 -10.677 1.00 10.00 N ATOM 611 CA GLY A 56 -9.090 -0.238 -11.740 1.00 10.00 C ATOM 612 C GLY A 56 -9.927 0.933 -11.265 1.00 10.00 C ATOM 613 O GLY A 56 -11.085 1.083 -11.665 1.00 10.00 O ATOM 0 H GLY A 56 -7.323 -0.509 -10.650 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.431 0.093 -12.543 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.745 -1.002 -12.159 1.00 10.00 H new ATOM 617 N VAL A 57 -9.342 1.760 -10.407 1.00 10.00 N ATOM 618 CA VAL A 57 -10.027 2.929 -9.862 1.00 10.00 C ATOM 619 C VAL A 57 -9.070 4.117 -9.784 1.00 10.00 C ATOM 620 O VAL A 57 -7.853 3.932 -9.765 1.00 10.00 O ATOM 621 CB VAL A 57 -10.602 2.654 -8.451 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.916 1.893 -8.542 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.598 1.895 -7.594 1.00 10.00 C ATOM 0 H VAL A 57 -8.386 1.642 -10.070 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.854 3.158 -10.535 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.797 3.614 -7.974 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -12.301 1.711 -7.539 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.639 2.481 -9.107 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.751 0.940 -9.045 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -10.025 1.714 -6.608 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -9.362 0.942 -8.068 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.687 2.485 -7.492 1.00 10.00 H new ATOM 633 N PRO A 58 -9.599 5.354 -9.756 1.00 10.00 N ATOM 634 CA PRO A 58 -8.771 6.561 -9.663 1.00 10.00 C ATOM 635 C PRO A 58 -8.103 6.677 -8.292 1.00 10.00 C ATOM 636 O PRO A 58 -8.554 6.063 -7.326 1.00 10.00 O ATOM 637 CB PRO A 58 -9.775 7.700 -9.872 1.00 10.00 C ATOM 638 CG PRO A 58 -11.089 7.131 -9.470 1.00 10.00 C ATOM 639 CD PRO A 58 -11.038 5.673 -9.828 1.00 10.00 C ATOM 0 HA PRO A 58 -7.957 6.565 -10.388 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.519 8.569 -9.266 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.788 8.029 -10.911 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.261 7.264 -8.402 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.906 7.632 -9.990 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.619 5.068 -9.132 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.441 5.489 -10.824 1.00 10.00 H new ATOM 647 N MET A 59 -7.036 7.459 -8.207 1.00 10.00 N ATOM 648 CA MET A 59 -6.326 7.630 -6.944 1.00 10.00 C ATOM 649 C MET A 59 -7.148 8.459 -5.958 1.00 10.00 C ATOM 650 O MET A 59 -7.974 9.285 -6.365 1.00 10.00 O ATOM 651 CB MET A 59 -4.959 8.288 -7.176 1.00 10.00 C ATOM 652 CG MET A 59 -4.108 8.386 -5.917 1.00 10.00 C ATOM 653 SD MET A 59 -2.535 9.224 -6.190 1.00 10.00 S ATOM 654 CE MET A 59 -1.943 9.393 -4.506 1.00 10.00 C ATOM 0 H MET A 59 -6.644 7.982 -8.990 1.00 10.00 H new ATOM 0 HA MET A 59 -6.171 6.641 -6.514 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.414 7.719 -7.929 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.111 9.289 -7.581 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.668 8.918 -5.148 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.917 7.383 -5.536 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.918 9.764 -4.516 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.578 10.096 -3.966 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.973 8.422 -4.011 1.00 10.00 H new ATOM 664 N ASN A 60 -6.922 8.204 -4.665 1.00 10.00 N ATOM 665 CA ASN A 60 -7.599 8.900 -3.566 1.00 10.00 C ATOM 666 C ASN A 60 -9.028 8.397 -3.397 1.00 10.00 C ATOM 667 O ASN A 60 -9.884 9.083 -2.838 1.00 10.00 O ATOM 668 CB ASN A 60 -7.577 10.422 -3.763 1.00 10.00 C ATOM 669 CG ASN A 60 -7.492 11.178 -2.450 1.00 10.00 C ATOM 670 OD1 ASN A 60 -6.411 11.344 -1.883 1.00 10.00 O ATOM 671 ND2 ASN A 60 -8.627 11.648 -1.958 1.00 10.00 N ATOM 0 H ASN A 60 -6.256 7.500 -4.348 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.049 8.677 -2.652 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -6.726 10.692 -4.389 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.476 10.729 -4.297 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -8.626 12.168 -1.080 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -9.503 11.490 -2.456 1.00 10.00 H new ATOM 678 N SER A 61 -9.284 7.192 -3.884 1.00 10.00 N ATOM 679 CA SER A 61 -10.598 6.580 -3.767 1.00 10.00 C ATOM 680 C SER A 61 -10.593 5.586 -2.615 1.00 10.00 C ATOM 681 O SER A 61 -11.630 5.295 -2.011 1.00 10.00 O ATOM 682 CB SER A 61 -10.966 5.868 -5.068 1.00 10.00 C ATOM 683 OG SER A 61 -9.954 4.954 -5.446 1.00 10.00 O ATOM 0 H SER A 61 -8.594 6.616 -4.367 1.00 10.00 H new ATOM 0 HA SER A 61 -11.338 7.356 -3.573 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.911 5.340 -4.943 1.00 10.00 H new ATOM 0 HB3 SER A 61 -11.113 6.602 -5.860 1.00 10.00 H new ATOM 0 HG SER A 61 -9.233 5.435 -5.904 1.00 10.00 H new ATOM 689 N LEU A 62 -9.403 5.086 -2.315 1.00 10.00 N ATOM 690 CA LEU A 62 -9.207 4.116 -1.256 1.00 10.00 C ATOM 691 C LEU A 62 -8.244 4.664 -0.213 1.00 10.00 C ATOM 692 O LEU A 62 -7.242 5.297 -0.555 1.00 10.00 O ATOM 693 CB LEU A 62 -8.650 2.813 -1.834 1.00 10.00 C ATOM 694 CG LEU A 62 -9.490 2.166 -2.938 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.638 1.222 -3.771 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.677 1.423 -2.345 1.00 10.00 C ATOM 0 H LEU A 62 -8.545 5.345 -2.803 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.169 3.917 -0.784 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.653 3.009 -2.229 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.536 2.096 -1.021 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.868 2.956 -3.586 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.251 0.771 -4.551 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.820 1.778 -4.229 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.231 0.439 -3.131 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.261 0.971 -3.147 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.319 0.643 -1.672 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.303 2.122 -1.790 1.00 10.00 H new ATOM 708 N ARG A 63 -8.550 4.429 1.051 1.00 10.00 N ATOM 709 CA ARG A 63 -7.704 4.891 2.137 1.00 10.00 C ATOM 710 C ARG A 63 -6.916 3.728 2.724 1.00 10.00 C ATOM 711 O ARG A 63 -7.486 2.701 3.103 1.00 10.00 O ATOM 712 CB ARG A 63 -8.527 5.588 3.228 1.00 10.00 C ATOM 713 CG ARG A 63 -9.639 4.735 3.826 1.00 10.00 C ATOM 714 CD ARG A 63 -10.317 5.448 4.986 1.00 10.00 C ATOM 715 NE ARG A 63 -11.388 4.650 5.585 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.687 4.942 5.485 1.00 10.00 C ATOM 717 NH1 ARG A 63 -13.088 6.010 4.806 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.588 4.161 6.064 1.00 10.00 N ATOM 0 H ARG A 63 -9.381 3.919 1.351 1.00 10.00 H new ATOM 0 HA ARG A 63 -7.004 5.621 1.731 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.855 5.899 4.028 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.966 6.494 2.810 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.376 4.503 3.057 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -9.228 3.786 4.170 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.574 5.683 5.748 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.726 6.396 4.636 1.00 10.00 H new ATOM 0 HE ARG A 63 -11.125 3.818 6.113 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.402 6.615 4.355 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -14.082 6.225 4.735 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.289 3.337 6.586 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.580 4.384 5.988 1.00 10.00 H new ATOM 732 N PHE A 64 -5.605 3.888 2.769 1.00 10.00 N ATOM 733 CA PHE A 64 -4.723 2.866 3.308 1.00 10.00 C ATOM 734 C PHE A 64 -4.466 3.149 4.779 1.00 10.00 C ATOM 735 O PHE A 64 -3.989 4.229 5.134 1.00 10.00 O ATOM 736 CB PHE A 64 -3.404 2.841 2.534 1.00 10.00 C ATOM 737 CG PHE A 64 -3.579 2.942 1.043 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.452 4.162 0.398 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.880 1.819 0.289 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.617 4.261 -0.969 1.00 10.00 C ATOM 741 CE2 PHE A 64 -4.046 1.913 -1.079 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.915 3.135 -1.708 1.00 10.00 C ATOM 0 H PHE A 64 -5.124 4.723 2.436 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.198 1.890 3.206 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.777 3.665 2.875 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.873 1.918 2.767 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.221 5.047 0.972 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.986 0.861 0.776 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.513 5.218 -1.459 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -4.278 1.031 -1.657 1.00 10.00 H new ATOM 0 HZ PHE A 64 -4.046 3.209 -2.777 1.00 10.00 H new ATOM 752 N LEU A 65 -4.786 2.188 5.630 1.00 10.00 N ATOM 753 CA LEU A 65 -4.613 2.362 7.062 1.00 10.00 C ATOM 754 C LEU A 65 -3.550 1.428 7.621 1.00 10.00 C ATOM 755 O LEU A 65 -3.532 0.233 7.321 1.00 10.00 O ATOM 756 CB LEU A 65 -5.941 2.129 7.783 1.00 10.00 C ATOM 757 CG LEU A 65 -7.096 3.021 7.325 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.407 2.531 7.909 1.00 10.00 C ATOM 759 CD2 LEU A 65 -6.846 4.469 7.723 1.00 10.00 C ATOM 0 H LEU A 65 -5.166 1.282 5.355 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.279 3.386 7.231 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.232 1.087 7.647 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.788 2.281 8.851 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.159 2.969 6.238 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.219 3.177 7.573 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.594 1.510 7.577 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.352 2.554 8.997 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.679 5.087 7.388 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.756 4.538 8.807 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -5.924 4.820 7.259 1.00 10.00 H new ATOM 771 N PHE A 66 -2.667 1.997 8.428 1.00 10.00 N ATOM 772 CA PHE A 66 -1.595 1.256 9.067 1.00 10.00 C ATOM 773 C PHE A 66 -1.380 1.802 10.472 1.00 10.00 C ATOM 774 O PHE A 66 -1.089 2.989 10.643 1.00 10.00 O ATOM 775 CB PHE A 66 -0.300 1.361 8.253 1.00 10.00 C ATOM 776 CG PHE A 66 0.879 0.680 8.893 1.00 10.00 C ATOM 777 CD1 PHE A 66 0.900 -0.696 9.046 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.965 1.415 9.341 1.00 10.00 C ATOM 779 CE1 PHE A 66 1.982 -1.325 9.633 1.00 10.00 C ATOM 780 CE2 PHE A 66 3.049 0.792 9.929 1.00 10.00 C ATOM 781 CZ PHE A 66 3.057 -0.580 10.076 1.00 10.00 C ATOM 0 H PHE A 66 -2.676 2.991 8.658 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.873 0.203 9.121 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.466 0.928 7.267 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.061 2.414 8.102 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.062 -1.284 8.703 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.964 2.489 9.229 1.00 10.00 H new ATOM 0 HE1 PHE A 66 1.987 -2.399 9.745 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.889 1.378 10.273 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.902 -1.070 10.536 1.00 10.00 H new ATOM 791 N GLU A 67 -1.561 0.941 11.470 1.00 10.00 N ATOM 792 CA GLU A 67 -1.390 1.318 12.875 1.00 10.00 C ATOM 793 C GLU A 67 -2.384 2.405 13.280 1.00 10.00 C ATOM 794 O GLU A 67 -2.100 3.230 14.149 1.00 10.00 O ATOM 795 CB GLU A 67 0.048 1.782 13.142 1.00 10.00 C ATOM 796 CG GLU A 67 1.058 0.651 13.105 1.00 10.00 C ATOM 797 CD GLU A 67 0.701 -0.463 14.061 1.00 10.00 C ATOM 798 OE1 GLU A 67 0.326 -1.559 13.590 1.00 10.00 O ATOM 799 OE2 GLU A 67 0.778 -0.240 15.288 1.00 10.00 O ATOM 0 H GLU A 67 -1.829 -0.033 11.331 1.00 10.00 H new ATOM 0 HA GLU A 67 -1.588 0.435 13.482 1.00 10.00 H new ATOM 0 HB2 GLU A 67 0.324 2.532 12.401 1.00 10.00 H new ATOM 0 HB3 GLU A 67 0.091 2.267 14.117 1.00 10.00 H new ATOM 0 HG2 GLU A 67 1.119 0.253 12.092 1.00 10.00 H new ATOM 0 HG3 GLU A 67 2.045 1.039 13.354 1.00 10.00 H new ATOM 806 N GLY A 68 -3.548 2.403 12.640 1.00 10.00 N ATOM 807 CA GLY A 68 -4.570 3.387 12.946 1.00 10.00 C ATOM 808 C GLY A 68 -4.372 4.695 12.201 1.00 10.00 C ATOM 809 O GLY A 68 -5.223 5.581 12.250 1.00 10.00 O ATOM 0 H GLY A 68 -3.803 1.735 11.912 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.549 2.977 12.696 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -4.570 3.582 14.018 1.00 10.00 H new ATOM 813 N GLN A 69 -3.245 4.822 11.516 1.00 10.00 N ATOM 814 CA GLN A 69 -2.947 6.030 10.764 1.00 10.00 C ATOM 815 C GLN A 69 -3.133 5.776 9.278 1.00 10.00 C ATOM 816 O GLN A 69 -3.106 4.632 8.831 1.00 10.00 O ATOM 817 CB GLN A 69 -1.512 6.492 11.029 1.00 10.00 C ATOM 818 CG GLN A 69 -1.177 6.656 12.501 1.00 10.00 C ATOM 819 CD GLN A 69 -0.534 7.993 12.808 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.109 8.604 11.950 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.703 8.458 14.036 1.00 10.00 N ATOM 0 H GLN A 69 -2.523 4.103 11.466 1.00 10.00 H new ATOM 0 HA GLN A 69 -3.633 6.813 11.088 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -0.822 5.772 10.588 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.348 7.443 10.522 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.088 6.551 13.091 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -0.505 5.855 12.808 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -1.242 7.921 14.715 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -0.294 9.354 14.303 1.00 10.00 H new ATOM 830 N ARG A 70 -3.328 6.835 8.516 1.00 10.00 N ATOM 831 CA ARG A 70 -3.502 6.701 7.079 1.00 10.00 C ATOM 832 C ARG A 70 -2.198 7.033 6.364 1.00 10.00 C ATOM 833 O ARG A 70 -1.491 7.969 6.745 1.00 10.00 O ATOM 834 CB ARG A 70 -4.641 7.595 6.575 1.00 10.00 C ATOM 835 CG ARG A 70 -4.370 9.084 6.706 1.00 10.00 C ATOM 836 CD ARG A 70 -5.586 9.907 6.320 1.00 10.00 C ATOM 837 NE ARG A 70 -6.020 9.644 4.947 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.293 9.489 4.587 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.261 9.568 5.493 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.602 9.257 3.319 1.00 10.00 N ATOM 0 H ARG A 70 -3.370 7.793 8.863 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.771 5.668 6.859 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -4.833 7.363 5.527 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.549 7.353 7.127 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.085 9.314 7.733 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -3.527 9.359 6.072 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -6.404 9.687 7.006 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -5.355 10.967 6.429 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.305 9.575 4.223 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.031 9.748 6.470 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.234 9.448 5.211 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.864 9.197 2.617 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.577 9.139 3.045 1.00 10.00 H new ATOM 854 N ILE A 71 -1.881 6.253 5.341 1.00 10.00 N ATOM 855 CA ILE A 71 -0.661 6.453 4.571 1.00 10.00 C ATOM 856 C ILE A 71 -0.706 7.771 3.800 1.00 10.00 C ATOM 857 O ILE A 71 -1.584 7.983 2.957 1.00 10.00 O ATOM 858 CB ILE A 71 -0.424 5.285 3.586 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.380 3.949 4.338 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.859 5.497 2.795 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.700 3.875 5.399 1.00 10.00 C ATOM 0 H ILE A 71 -2.455 5.472 5.023 1.00 10.00 H new ATOM 0 HA ILE A 71 0.165 6.488 5.281 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.256 5.258 2.882 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.349 3.776 4.807 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.225 3.144 3.619 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.005 4.663 2.109 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.788 6.425 2.228 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.704 5.555 3.481 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.666 2.900 5.885 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.676 4.015 4.935 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.535 4.656 6.141 1.00 10.00 H new ATOM 873 N ALA A 72 0.237 8.654 4.100 1.00 10.00 N ATOM 874 CA ALA A 72 0.314 9.946 3.440 1.00 10.00 C ATOM 875 C ALA A 72 1.127 9.849 2.157 1.00 10.00 C ATOM 876 O ALA A 72 1.869 8.889 1.949 1.00 10.00 O ATOM 877 CB ALA A 72 0.912 10.986 4.375 1.00 10.00 C ATOM 0 H ALA A 72 0.962 8.496 4.800 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.697 10.257 3.179 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.962 11.948 3.865 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.287 11.079 5.263 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.916 10.678 4.668 1.00 10.00 H new ATOM 883 N ASP A 73 0.998 10.862 1.314 1.00 10.00 N ATOM 884 CA ASP A 73 1.703 10.908 0.034 1.00 10.00 C ATOM 885 C ASP A 73 3.186 11.199 0.222 1.00 10.00 C ATOM 886 O ASP A 73 3.965 11.126 -0.725 1.00 10.00 O ATOM 887 CB ASP A 73 1.090 11.985 -0.864 1.00 10.00 C ATOM 888 CG ASP A 73 -0.196 11.545 -1.532 1.00 10.00 C ATOM 889 OD1 ASP A 73 -0.990 10.829 -0.892 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.424 11.931 -2.699 1.00 10.00 O ATOM 0 H ASP A 73 0.406 11.673 1.493 1.00 10.00 H new ATOM 0 HA ASP A 73 1.600 9.929 -0.433 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.896 12.877 -0.269 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.813 12.264 -1.631 1.00 10.00 H new ATOM 895 N ASN A 74 3.568 11.546 1.440 1.00 10.00 N ATOM 896 CA ASN A 74 4.959 11.857 1.745 1.00 10.00 C ATOM 897 C ASN A 74 5.553 10.834 2.707 1.00 10.00 C ATOM 898 O ASN A 74 6.628 11.046 3.267 1.00 10.00 O ATOM 899 CB ASN A 74 5.072 13.263 2.345 1.00 10.00 C ATOM 900 CG ASN A 74 4.322 13.399 3.660 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.111 13.628 3.676 1.00 10.00 O ATOM 902 ND2 ASN A 74 5.033 13.268 4.769 1.00 10.00 N ATOM 0 H ASN A 74 2.935 11.620 2.236 1.00 10.00 H new ATOM 0 HA ASN A 74 5.522 11.819 0.812 1.00 10.00 H new ATOM 0 HB2 ASN A 74 6.123 13.503 2.504 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.683 13.991 1.632 1.00 10.00 H new ATOM 0 HD21 ASN A 74 4.580 13.356 5.679 1.00 10.00 H new ATOM 0 HD22 ASN A 74 6.034 13.079 4.714 1.00 10.00 H new ATOM 909 N HIS A 75 4.857 9.724 2.896 1.00 10.00 N ATOM 910 CA HIS A 75 5.327 8.687 3.802 1.00 10.00 C ATOM 911 C HIS A 75 6.278 7.729 3.093 1.00 10.00 C ATOM 912 O HIS A 75 6.194 7.530 1.880 1.00 10.00 O ATOM 913 CB HIS A 75 4.146 7.909 4.394 1.00 10.00 C ATOM 914 CG HIS A 75 3.629 8.480 5.677 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.328 8.284 6.080 1.00 10.00 N ATOM 916 CD2 HIS A 75 4.277 9.207 6.620 1.00 10.00 C ATOM 917 CE1 HIS A 75 2.216 8.890 7.251 1.00 10.00 C ATOM 918 NE2 HIS A 75 3.371 9.462 7.614 1.00 10.00 N ATOM 0 H HIS A 75 3.970 9.518 2.437 1.00 10.00 H new ATOM 0 HA HIS A 75 5.869 9.175 4.612 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.336 7.886 3.665 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.452 6.877 4.564 1.00 10.00 H new ATOM 0 HD2 HIS A 75 5.309 9.524 6.592 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.310 8.919 7.838 1.00 10.00 H new ATOM 0 HE2 HIS A 75 3.543 9.989 8.470 1.00 10.00 H new ATOM 926 N THR A 76 7.199 7.160 3.856 1.00 10.00 N ATOM 927 CA THR A 76 8.161 6.208 3.325 1.00 10.00 C ATOM 928 C THR A 76 8.123 4.924 4.150 1.00 10.00 C ATOM 929 O THR A 76 7.647 4.939 5.287 1.00 10.00 O ATOM 930 CB THR A 76 9.595 6.784 3.345 1.00 10.00 C ATOM 931 OG1 THR A 76 9.963 7.132 4.685 1.00 10.00 O ATOM 932 CG2 THR A 76 9.709 8.009 2.451 1.00 10.00 C ATOM 0 H THR A 76 7.300 7.344 4.854 1.00 10.00 H new ATOM 0 HA THR A 76 7.889 5.998 2.291 1.00 10.00 H new ATOM 0 HB THR A 76 10.271 6.018 2.966 1.00 10.00 H new ATOM 0 HG1 THR A 76 9.380 7.850 5.008 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.729 8.391 2.486 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.459 7.736 1.426 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.021 8.779 2.799 1.00 10.00 H new ATOM 940 N PRO A 77 8.615 3.797 3.605 1.00 10.00 N ATOM 941 CA PRO A 77 8.635 2.511 4.318 1.00 10.00 C ATOM 942 C PRO A 77 9.668 2.485 5.450 1.00 10.00 C ATOM 943 O PRO A 77 9.849 1.466 6.123 1.00 10.00 O ATOM 944 CB PRO A 77 9.016 1.494 3.230 1.00 10.00 C ATOM 945 CG PRO A 77 8.915 2.226 1.934 1.00 10.00 C ATOM 946 CD PRO A 77 9.169 3.667 2.251 1.00 10.00 C ATOM 0 HA PRO A 77 7.678 2.304 4.797 1.00 10.00 H new ATOM 0 HB2 PRO A 77 10.026 1.114 3.387 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.346 0.635 3.247 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.644 1.850 1.216 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.930 2.093 1.487 1.00 10.00 H new ATOM 0 HD2 PRO A 77 10.232 3.908 2.223 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.673 4.332 1.544 1.00 10.00 H new ATOM 954 N LYS A 78 10.347 3.609 5.648 1.00 10.00 N ATOM 955 CA LYS A 78 11.359 3.728 6.686 1.00 10.00 C ATOM 956 C LYS A 78 10.723 4.136 8.014 1.00 10.00 C ATOM 957 O LYS A 78 11.133 3.677 9.083 1.00 10.00 O ATOM 958 CB LYS A 78 12.424 4.751 6.260 1.00 10.00 C ATOM 959 CG LYS A 78 13.527 4.984 7.288 1.00 10.00 C ATOM 960 CD LYS A 78 14.299 3.709 7.597 1.00 10.00 C ATOM 961 CE LYS A 78 15.181 3.275 6.434 1.00 10.00 C ATOM 962 NZ LYS A 78 15.864 1.981 6.709 1.00 10.00 N ATOM 0 H LYS A 78 10.212 4.457 5.097 1.00 10.00 H new ATOM 0 HA LYS A 78 11.837 2.758 6.825 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.879 4.416 5.328 1.00 10.00 H new ATOM 0 HB3 LYS A 78 11.933 5.702 6.051 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.215 5.743 6.915 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.089 5.374 8.207 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.917 3.866 8.481 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.597 2.910 7.836 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.574 3.181 5.533 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.927 4.045 6.237 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 16.455 1.720 5.894 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 16.463 2.077 7.554 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 15.152 1.240 6.872 1.00 10.00 H new ATOM 976 N GLU A 79 9.705 4.984 7.939 1.00 10.00 N ATOM 977 CA GLU A 79 9.018 5.462 9.131 1.00 10.00 C ATOM 978 C GLU A 79 7.820 4.576 9.459 1.00 10.00 C ATOM 979 O GLU A 79 7.546 3.607 8.743 1.00 10.00 O ATOM 980 CB GLU A 79 8.571 6.912 8.936 1.00 10.00 C ATOM 981 CG GLU A 79 7.593 7.102 7.790 1.00 10.00 C ATOM 982 CD GLU A 79 7.705 8.471 7.160 1.00 10.00 C ATOM 983 OE1 GLU A 79 7.278 9.460 7.787 1.00 10.00 O ATOM 984 OE2 GLU A 79 8.232 8.568 6.033 1.00 10.00 O ATOM 0 H GLU A 79 9.337 5.355 7.063 1.00 10.00 H new ATOM 0 HA GLU A 79 9.713 5.417 9.970 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.110 7.268 9.858 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.449 7.533 8.759 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.773 6.340 7.032 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.576 6.955 8.155 1.00 10.00 H new ATOM 991 N LEU A 80 7.135 4.906 10.559 1.00 10.00 N ATOM 992 CA LEU A 80 5.950 4.175 11.033 1.00 10.00 C ATOM 993 C LEU A 80 6.321 2.809 11.620 1.00 10.00 C ATOM 994 O LEU A 80 5.774 2.397 12.645 1.00 10.00 O ATOM 995 CB LEU A 80 4.908 4.016 9.920 1.00 10.00 C ATOM 996 CG LEU A 80 4.202 5.306 9.495 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.439 5.096 8.196 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.260 5.782 10.588 1.00 10.00 C ATOM 0 H LEU A 80 7.388 5.696 11.153 1.00 10.00 H new ATOM 0 HA LEU A 80 5.509 4.772 11.831 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.397 3.584 9.047 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.155 3.301 10.250 1.00 10.00 H new ATOM 0 HG LEU A 80 4.960 6.072 9.331 1.00 10.00 H new ATOM 0 HD11 LEU A 80 2.944 6.024 7.911 1.00 10.00 H new ATOM 0 HD12 LEU A 80 4.133 4.799 7.410 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.692 4.314 8.335 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.767 6.700 10.269 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.510 5.015 10.781 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.827 5.973 11.499 1.00 10.00 H new ATOM 1010 N GLY A 81 7.246 2.116 10.972 1.00 10.00 N ATOM 1011 CA GLY A 81 7.679 0.823 11.450 1.00 10.00 C ATOM 1012 C GLY A 81 7.091 -0.318 10.651 1.00 10.00 C ATOM 1013 O GLY A 81 6.495 -1.230 11.215 1.00 10.00 O ATOM 0 H GLY A 81 7.706 2.431 10.118 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.767 0.769 11.407 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.396 0.713 12.497 1.00 10.00 H new ATOM 1017 N MET A 82 7.257 -0.268 9.338 1.00 10.00 N ATOM 1018 CA MET A 82 6.743 -1.315 8.463 1.00 10.00 C ATOM 1019 C MET A 82 7.744 -2.456 8.362 1.00 10.00 C ATOM 1020 O MET A 82 8.919 -2.234 8.063 1.00 10.00 O ATOM 1021 CB MET A 82 6.456 -0.762 7.068 1.00 10.00 C ATOM 1022 CG MET A 82 5.038 -0.248 6.890 1.00 10.00 C ATOM 1023 SD MET A 82 4.709 0.307 5.207 1.00 10.00 S ATOM 1024 CE MET A 82 2.999 0.806 5.357 1.00 10.00 C ATOM 0 H MET A 82 7.744 0.486 8.853 1.00 10.00 H new ATOM 0 HA MET A 82 5.813 -1.688 8.892 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.155 0.048 6.858 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.644 -1.544 6.332 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.334 -1.037 7.153 1.00 10.00 H new ATOM 0 HG3 MET A 82 4.865 0.577 7.581 1.00 10.00 H new ATOM 0 HE1 MET A 82 2.642 1.176 4.396 1.00 10.00 H new ATOM 0 HE2 MET A 82 2.396 -0.049 5.663 1.00 10.00 H new ATOM 0 HE3 MET A 82 2.915 1.595 6.104 1.00 10.00 H new ATOM 1034 N GLU A 83 7.290 -3.671 8.628 1.00 10.00 N ATOM 1035 CA GLU A 83 8.159 -4.835 8.556 1.00 10.00 C ATOM 1036 C GLU A 83 7.603 -5.873 7.588 1.00 10.00 C ATOM 1037 O GLU A 83 6.521 -5.699 7.026 1.00 10.00 O ATOM 1038 CB GLU A 83 8.342 -5.456 9.943 1.00 10.00 C ATOM 1039 CG GLU A 83 9.722 -5.220 10.535 1.00 10.00 C ATOM 1040 CD GLU A 83 10.837 -5.565 9.570 1.00 10.00 C ATOM 1041 OE1 GLU A 83 10.738 -6.605 8.881 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.822 -4.798 9.496 1.00 10.00 O ATOM 0 H GLU A 83 6.327 -3.876 8.895 1.00 10.00 H new ATOM 0 HA GLU A 83 9.130 -4.505 8.187 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.591 -5.046 10.618 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.161 -6.529 9.879 1.00 10.00 H new ATOM 0 HG2 GLU A 83 9.813 -4.175 10.830 1.00 10.00 H new ATOM 0 HG3 GLU A 83 9.832 -5.817 11.440 1.00 10.00 H new ATOM 1049 N GLU A 84 8.355 -6.945 7.392 1.00 10.00 N ATOM 1050 CA GLU A 84 7.942 -8.019 6.504 1.00 10.00 C ATOM 1051 C GLU A 84 6.738 -8.748 7.094 1.00 10.00 C ATOM 1052 O GLU A 84 6.696 -9.012 8.298 1.00 10.00 O ATOM 1053 CB GLU A 84 9.108 -8.991 6.279 1.00 10.00 C ATOM 1054 CG GLU A 84 8.715 -10.309 5.627 1.00 10.00 C ATOM 1055 CD GLU A 84 8.244 -10.162 4.193 1.00 10.00 C ATOM 1056 OE1 GLU A 84 8.648 -9.190 3.522 1.00 10.00 O ATOM 1057 OE2 GLU A 84 7.479 -11.036 3.728 1.00 10.00 O ATOM 0 H GLU A 84 9.260 -7.094 7.839 1.00 10.00 H new ATOM 0 HA GLU A 84 7.653 -7.598 5.541 1.00 10.00 H new ATOM 0 HB2 GLU A 84 9.857 -8.502 5.657 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.579 -9.202 7.239 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.569 -10.986 5.652 1.00 10.00 H new ATOM 0 HG3 GLU A 84 7.923 -10.773 6.215 1.00 10.00 H new ATOM 1064 N GLU A 85 5.755 -9.038 6.238 1.00 10.00 N ATOM 1065 CA GLU A 85 4.532 -9.733 6.643 1.00 10.00 C ATOM 1066 C GLU A 85 3.666 -8.843 7.527 1.00 10.00 C ATOM 1067 O GLU A 85 2.841 -9.335 8.299 1.00 10.00 O ATOM 1068 CB GLU A 85 4.855 -11.042 7.372 1.00 10.00 C ATOM 1069 CG GLU A 85 5.066 -12.223 6.444 1.00 10.00 C ATOM 1070 CD GLU A 85 3.763 -12.866 6.009 1.00 10.00 C ATOM 1071 OE1 GLU A 85 3.571 -13.055 4.791 1.00 10.00 O ATOM 1072 OE2 GLU A 85 2.934 -13.198 6.880 1.00 10.00 O ATOM 0 H GLU A 85 5.785 -8.798 5.247 1.00 10.00 H new ATOM 0 HA GLU A 85 3.976 -9.971 5.736 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.753 -10.900 7.974 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.043 -11.274 8.061 1.00 10.00 H new ATOM 0 HG2 GLU A 85 5.616 -11.893 5.562 1.00 10.00 H new ATOM 0 HG3 GLU A 85 5.684 -12.968 6.945 1.00 10.00 H new ATOM 1079 N ASP A 86 3.855 -7.535 7.409 1.00 10.00 N ATOM 1080 CA ASP A 86 3.078 -6.586 8.193 1.00 10.00 C ATOM 1081 C ASP A 86 1.659 -6.509 7.658 1.00 10.00 C ATOM 1082 O ASP A 86 1.401 -6.887 6.515 1.00 10.00 O ATOM 1083 CB ASP A 86 3.719 -5.201 8.173 1.00 10.00 C ATOM 1084 CG ASP A 86 3.671 -4.533 9.529 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.569 -4.427 10.105 1.00 10.00 O ATOM 1086 OD2 ASP A 86 4.737 -4.119 10.028 1.00 10.00 O ATOM 0 H ASP A 86 4.537 -7.109 6.781 1.00 10.00 H new ATOM 0 HA ASP A 86 3.056 -6.936 9.225 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.756 -5.286 7.848 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.206 -4.575 7.443 1.00 10.00 H new ATOM 1091 N VAL A 87 0.748 -6.008 8.468 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.647 -5.918 8.074 1.00 10.00 C ATOM 1093 C VAL A 87 -1.035 -4.492 7.697 1.00 10.00 C ATOM 1094 O VAL A 87 -0.641 -3.531 8.358 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.576 -6.423 9.203 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -3.039 -6.354 8.788 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -1.203 -7.842 9.606 1.00 10.00 C ATOM 0 H VAL A 87 0.947 -5.656 9.404 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.770 -6.554 7.197 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.441 -5.768 10.064 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.666 -6.716 9.603 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.303 -5.322 8.557 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -3.197 -6.975 7.906 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.867 -8.181 10.401 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -1.302 -8.503 8.745 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -0.173 -7.860 9.961 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.783 -4.367 6.611 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.260 -3.078 6.141 1.00 10.00 C ATOM 1109 C ILE A 88 -3.618 -3.259 5.472 1.00 10.00 C ATOM 1110 O ILE A 88 -3.802 -4.159 4.649 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.263 -2.400 5.166 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.860 -1.113 4.584 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -0.854 -3.354 4.051 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.849 -0.241 3.870 1.00 10.00 C ATOM 0 H ILE A 88 -2.075 -5.155 6.033 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.354 -2.418 7.004 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.369 -2.137 5.731 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.656 -1.375 3.888 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -2.317 -0.539 5.390 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.155 -2.853 3.382 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.377 -4.234 4.482 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.738 -3.659 3.490 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.345 0.650 3.485 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -0.065 0.052 4.568 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.409 -0.797 3.042 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.574 -2.427 5.846 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.910 -2.522 5.286 1.00 10.00 C ATOM 1128 C GLU A 89 -6.218 -1.337 4.390 1.00 10.00 C ATOM 1129 O GLU A 89 -5.667 -0.247 4.563 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.953 -2.614 6.395 1.00 10.00 C ATOM 1131 CG GLU A 89 -7.031 -3.984 7.040 1.00 10.00 C ATOM 1132 CD GLU A 89 -8.192 -4.097 7.999 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -9.242 -4.653 7.608 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.068 -3.617 9.144 1.00 10.00 O ATOM 0 H GLU A 89 -4.451 -1.682 6.532 1.00 10.00 H new ATOM 0 HA GLU A 89 -5.949 -3.429 4.683 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.724 -1.873 7.161 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.930 -2.358 5.986 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -7.127 -4.744 6.265 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -6.101 -4.187 7.572 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.095 -1.564 3.433 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.502 -0.533 2.503 1.00 10.00 C ATOM 1143 C VAL A 90 -9.023 -0.509 2.394 1.00 10.00 C ATOM 1144 O VAL A 90 -9.654 -1.532 2.123 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.857 -0.743 1.111 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.115 -2.152 0.587 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.355 0.299 0.125 1.00 10.00 C ATOM 0 H VAL A 90 -7.544 -2.467 3.279 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.156 0.429 2.882 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.779 -0.623 1.222 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.649 -2.267 -0.392 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.691 -2.881 1.278 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.189 -2.317 0.499 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.889 0.133 -0.846 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.438 0.219 0.027 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -7.096 1.294 0.486 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.610 0.650 2.644 1.00 10.00 N ATOM 1158 CA TYR A 91 -11.056 0.798 2.582 1.00 10.00 C ATOM 1159 C TYR A 91 -11.435 1.906 1.616 1.00 10.00 C ATOM 1160 O TYR A 91 -10.616 2.764 1.295 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.625 1.089 3.972 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.608 -0.108 4.895 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.607 -1.071 4.829 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.595 -0.276 5.833 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.598 -2.167 5.669 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.580 -1.370 6.678 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.583 -2.312 6.591 1.00 10.00 C ATOM 1168 OH TYR A 91 -11.576 -3.402 7.432 1.00 10.00 O ATOM 0 H TYR A 91 -9.108 1.503 2.892 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.482 -0.138 2.222 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.053 1.897 4.428 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.651 1.443 3.869 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.404 -0.961 4.109 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.808 0.460 5.902 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -13.382 -2.907 5.604 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.787 -1.486 7.402 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.651 -3.652 7.636 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.674 1.885 1.161 1.00 10.00 N ATOM 1179 CA GLN A 92 -13.164 2.878 0.221 1.00 10.00 C ATOM 1180 C GLN A 92 -13.520 4.181 0.934 1.00 10.00 C ATOM 1181 O GLN A 92 -14.183 4.173 1.971 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.381 2.323 -0.522 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.879 3.213 -1.645 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.966 2.550 -2.462 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -15.692 1.909 -3.476 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -17.204 2.692 -2.021 1.00 10.00 N ATOM 0 H GLN A 92 -13.365 1.185 1.430 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.374 3.099 -0.497 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -14.128 1.345 -0.932 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.190 2.169 0.192 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -15.259 4.145 -1.226 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -14.045 3.473 -2.297 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -17.385 3.232 -1.175 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.978 2.261 -2.527 1.00 10.00 H new ATOM 1195 N GLU A 93 -13.056 5.295 0.382 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.331 6.606 0.955 1.00 10.00 C ATOM 1197 C GLU A 93 -14.744 7.055 0.600 1.00 10.00 C ATOM 1198 O GLU A 93 -15.331 6.580 -0.373 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.313 7.636 0.457 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.973 7.562 1.173 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.990 8.251 2.523 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.806 7.868 3.389 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -10.181 9.176 2.732 1.00 10.00 O ATOM 0 H GLU A 93 -12.486 5.316 -0.464 1.00 10.00 H new ATOM 0 HA GLU A 93 -13.247 6.529 2.039 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -12.153 7.490 -0.611 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.728 8.636 0.583 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.695 6.517 1.307 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.206 8.018 0.547 1.00 10.00 H new ATOM 1210 N GLN A 94 -15.285 7.975 1.386 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.632 8.481 1.157 1.00 10.00 C ATOM 1212 C GLN A 94 -16.630 9.578 0.093 1.00 10.00 C ATOM 1213 O GLN A 94 -17.681 9.965 -0.422 1.00 10.00 O ATOM 1214 CB GLN A 94 -17.212 9.020 2.467 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.713 9.248 2.426 1.00 10.00 C ATOM 1216 CD GLN A 94 -19.225 9.972 3.655 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -18.513 10.767 4.267 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -20.465 9.702 4.027 1.00 10.00 N ATOM 0 H GLN A 94 -14.811 8.387 2.190 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.253 7.661 0.797 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.982 8.320 3.270 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -16.718 9.960 2.712 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.965 9.826 1.537 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -19.221 8.288 2.337 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -21.024 9.037 3.493 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -20.862 10.159 4.848 1.00 10.00 H new ATOM 1227 N THR A 95 -15.447 10.074 -0.236 1.00 10.00 N ATOM 1228 CA THR A 95 -15.308 11.131 -1.226 1.00 10.00 C ATOM 1229 C THR A 95 -15.635 10.627 -2.631 1.00 10.00 C ATOM 1230 O THR A 95 -16.502 11.176 -3.313 1.00 10.00 O ATOM 1231 CB THR A 95 -13.884 11.711 -1.205 1.00 10.00 C ATOM 1232 OG1 THR A 95 -12.925 10.649 -1.100 1.00 10.00 O ATOM 1233 CG2 THR A 95 -13.712 12.671 -0.038 1.00 10.00 C ATOM 0 H THR A 95 -14.566 9.760 0.170 1.00 10.00 H new ATOM 0 HA THR A 95 -16.019 11.915 -0.966 1.00 10.00 H new ATOM 0 HB THR A 95 -13.722 12.257 -2.134 1.00 10.00 H new ATOM 0 HG1 THR A 95 -12.020 11.025 -1.089 1.00 10.00 H new ATOM 0 HG21 THR A 95 -12.698 13.070 -0.042 1.00 10.00 H new ATOM 0 HG22 THR A 95 -14.425 13.490 -0.133 1.00 10.00 H new ATOM 0 HG23 THR A 95 -13.890 12.142 0.898 1.00 10.00 H new ATOM 1241 N GLY A 96 -14.942 9.580 -3.056 1.00 10.00 N ATOM 1242 CA GLY A 96 -15.175 9.019 -4.372 1.00 10.00 C ATOM 1243 C GLY A 96 -13.886 8.652 -5.071 1.00 10.00 C ATOM 1244 O GLY A 96 -13.709 7.515 -5.514 1.00 10.00 O ATOM 0 H GLY A 96 -14.220 9.108 -2.511 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.803 8.133 -4.282 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -15.724 9.738 -4.980 1.00 10.00 H new ATOM 1248 N GLY A 97 -12.981 9.615 -5.160 1.00 10.00 N ATOM 1249 CA GLY A 97 -11.704 9.385 -5.801 1.00 10.00 C ATOM 1250 C GLY A 97 -10.908 10.663 -5.965 1.00 10.00 C ATOM 1251 O GLY A 97 -11.367 11.739 -5.572 1.00 10.00 O ATOM 0 H GLY A 97 -13.111 10.559 -4.796 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.127 8.672 -5.212 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -11.867 8.932 -6.779 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASP B 195 -6.690 -20.328 -4.127 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.327 -19.226 -3.423 1.00 10.00 C ATOM 1258 C ASP B 195 -7.023 -17.922 -4.146 1.00 10.00 C ATOM 1259 O ASP B 195 -6.905 -17.917 -5.375 1.00 10.00 O ATOM 1260 CB ASP B 195 -6.842 -19.180 -1.975 1.00 10.00 C ATOM 1261 CG ASP B 195 -7.948 -18.768 -1.033 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -7.974 -19.257 0.115 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -8.810 -17.965 -1.442 1.00 10.00 O ATOM 0 HA ASP B 195 -8.407 -19.372 -3.410 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -6.463 -20.160 -1.686 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.011 -18.479 -1.891 1.00 10.00 H new ATOM 1268 N THR B 196 -6.877 -16.812 -3.424 1.00 10.00 N ATOM 1269 CA THR B 196 -6.563 -15.574 -4.104 1.00 10.00 C ATOM 1270 C THR B 196 -5.199 -15.070 -3.664 1.00 10.00 C ATOM 1271 O THR B 196 -4.970 -14.777 -2.490 1.00 10.00 O ATOM 1272 CB THR B 196 -7.620 -14.492 -3.799 1.00 10.00 C ATOM 1273 OG1 THR B 196 -8.919 -15.098 -3.763 1.00 10.00 O ATOM 1274 CG2 THR B 196 -7.591 -13.389 -4.857 1.00 10.00 C ATOM 0 H THR B 196 -6.968 -16.750 -2.410 1.00 10.00 H new ATOM 0 HA THR B 196 -6.558 -15.773 -5.176 1.00 10.00 H new ATOM 0 HB THR B 196 -7.394 -14.042 -2.832 1.00 10.00 H new ATOM 0 HG1 THR B 196 -9.594 -14.414 -3.568 1.00 10.00 H new ATOM 0 HG21 THR B 196 -8.345 -12.638 -4.620 1.00 10.00 H new ATOM 0 HG22 THR B 196 -6.606 -12.923 -4.870 1.00 10.00 H new ATOM 0 HG23 THR B 196 -7.802 -13.819 -5.836 1.00 10.00 H new ATOM 1282 N ALA B 197 -4.292 -14.980 -4.630 1.00 10.00 N ATOM 1283 CA ALA B 197 -2.945 -14.500 -4.382 1.00 10.00 C ATOM 1284 C ALA B 197 -2.561 -13.421 -5.378 1.00 10.00 C ATOM 1285 O ALA B 197 -2.671 -13.624 -6.588 1.00 10.00 O ATOM 1286 CB ALA B 197 -1.954 -15.654 -4.447 1.00 10.00 C ATOM 0 H ALA B 197 -4.472 -15.237 -5.601 1.00 10.00 H new ATOM 0 HA ALA B 197 -2.917 -14.066 -3.383 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -0.947 -15.280 -4.259 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.212 -16.398 -3.693 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -1.993 -16.111 -5.436 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.146 -12.270 -4.896 1.00 10.00 N ATOM 1293 CA GLY B 198 -1.699 -11.245 -5.801 1.00 10.00 C ATOM 1294 C GLY B 198 -0.309 -10.778 -5.439 1.00 10.00 C ATOM 1295 O GLY B 198 -0.078 -10.404 -4.301 1.00 10.00 O ATOM 0 H GLY B 198 -2.110 -12.027 -3.906 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -1.705 -11.627 -6.822 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.390 -10.402 -5.772 1.00 10.00 H new ATOM 1299 N CYS B 199 0.630 -10.796 -6.374 1.00 10.00 N ATOM 1300 CA CYS B 199 1.969 -10.312 -6.059 1.00 10.00 C ATOM 1301 C CYS B 199 2.353 -9.188 -7.014 1.00 10.00 C ATOM 1302 O CYS B 199 2.376 -9.371 -8.232 1.00 10.00 O ATOM 1303 CB CYS B 199 2.980 -11.462 -6.134 1.00 10.00 C ATOM 1304 SG CYS B 199 2.503 -12.906 -5.147 1.00 10.00 S ATOM 0 H CYS B 199 0.499 -11.129 -7.329 1.00 10.00 H new ATOM 0 HA CYS B 199 1.977 -9.919 -5.042 1.00 10.00 H new ATOM 0 HB2 CYS B 199 3.098 -11.765 -7.174 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.952 -11.104 -5.794 1.00 10.00 H new ATOM 0 HG CYS B 199 1.822 -12.517 -4.110 1.00 10.00 H new ATOM 1310 N ILE B 200 2.640 -8.022 -6.454 1.00 10.00 N ATOM 1311 CA ILE B 200 3.025 -6.858 -7.247 1.00 10.00 C ATOM 1312 C ILE B 200 4.322 -6.224 -6.733 1.00 10.00 C ATOM 1313 O ILE B 200 4.481 -6.020 -5.528 1.00 10.00 O ATOM 1314 CB ILE B 200 1.880 -5.819 -7.303 1.00 10.00 C ATOM 1315 CG1 ILE B 200 2.360 -4.496 -7.908 1.00 10.00 C ATOM 1316 CG2 ILE B 200 1.281 -5.596 -5.922 1.00 10.00 C ATOM 1317 CD1 ILE B 200 1.232 -3.557 -8.262 1.00 10.00 C ATOM 0 H ILE B 200 2.614 -7.854 -5.448 1.00 10.00 H new ATOM 0 HA ILE B 200 3.215 -7.205 -8.263 1.00 10.00 H new ATOM 0 HB ILE B 200 1.100 -6.219 -7.951 1.00 10.00 H new ATOM 0 HG12 ILE B 200 3.026 -4.002 -7.201 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.944 -4.705 -8.804 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.478 -4.862 -5.988 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.882 -6.537 -5.542 1.00 10.00 H new ATOM 0 HG23 ILE B 200 2.053 -5.230 -5.245 1.00 10.00 H new ATOM 0 HD11 ILE B 200 1.641 -2.640 -8.685 1.00 10.00 H new ATOM 0 HD12 ILE B 200 0.578 -4.033 -8.992 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.661 -3.319 -7.364 1.00 10.00 H new ATOM 1329 N VAL B 201 5.249 -5.927 -7.635 1.00 10.00 N ATOM 1330 CA VAL B 201 6.502 -5.293 -7.248 1.00 10.00 C ATOM 1331 C VAL B 201 6.596 -3.922 -7.923 1.00 10.00 C ATOM 1332 O VAL B 201 6.363 -3.790 -9.127 1.00 10.00 O ATOM 1333 CB VAL B 201 7.744 -6.164 -7.573 1.00 10.00 C ATOM 1334 CG1 VAL B 201 7.914 -6.379 -9.071 1.00 10.00 C ATOM 1335 CG2 VAL B 201 9.002 -5.552 -6.968 1.00 10.00 C ATOM 0 H VAL B 201 5.158 -6.114 -8.634 1.00 10.00 H new ATOM 0 HA VAL B 201 6.500 -5.173 -6.165 1.00 10.00 H new ATOM 0 HB VAL B 201 7.581 -7.144 -7.123 1.00 10.00 H new ATOM 0 HG11 VAL B 201 8.795 -6.994 -9.253 1.00 10.00 H new ATOM 0 HG12 VAL B 201 7.033 -6.882 -9.469 1.00 10.00 H new ATOM 0 HG13 VAL B 201 8.036 -5.415 -9.565 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.862 -6.178 -7.207 1.00 10.00 H new ATOM 0 HG22 VAL B 201 9.154 -4.554 -7.378 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.891 -5.487 -5.886 1.00 10.00 H new ATOM 1345 N ILE B 202 6.895 -2.902 -7.132 1.00 10.00 N ATOM 1346 CA ILE B 202 6.960 -1.528 -7.613 1.00 10.00 C ATOM 1347 C ILE B 202 8.341 -0.902 -7.404 1.00 10.00 C ATOM 1348 O ILE B 202 8.966 -1.092 -6.359 1.00 10.00 O ATOM 1349 CB ILE B 202 5.886 -0.666 -6.919 1.00 10.00 C ATOM 1350 CG1 ILE B 202 5.890 0.755 -7.474 1.00 10.00 C ATOM 1351 CG2 ILE B 202 6.117 -0.647 -5.414 1.00 10.00 C ATOM 1352 CD1 ILE B 202 4.809 1.637 -6.894 1.00 10.00 C ATOM 0 H ILE B 202 7.100 -3.003 -6.138 1.00 10.00 H new ATOM 0 HA ILE B 202 6.771 -1.557 -8.686 1.00 10.00 H new ATOM 0 HB ILE B 202 4.910 -1.108 -7.119 1.00 10.00 H new ATOM 0 HG12 ILE B 202 6.861 1.209 -7.278 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.770 0.713 -8.557 1.00 10.00 H new ATOM 0 HG21 ILE B 202 5.352 -0.035 -4.936 1.00 10.00 H new ATOM 0 HG22 ILE B 202 6.064 -1.664 -5.025 1.00 10.00 H new ATOM 0 HG23 ILE B 202 7.101 -0.229 -5.202 1.00 10.00 H new ATOM 0 HD11 ILE B 202 4.875 2.631 -7.336 1.00 10.00 H new ATOM 0 HD12 ILE B 202 3.832 1.206 -7.113 1.00 10.00 H new ATOM 0 HD13 ILE B 202 4.940 1.710 -5.814 1.00 10.00 H new HETATM 1364 N SEP B 203 8.842 -0.192 -8.408 1.00 10.00 N HETATM 1365 CA SEP B 203 10.135 0.445 -8.271 1.00 10.00 C HETATM 1366 CB SEP B 203 11.048 -0.060 -9.386 1.00 10.00 C HETATM 1367 OG SEP B 203 12.316 0.570 -9.348 1.00 10.00 O HETATM 1368 C SEP B 203 10.003 1.959 -8.364 1.00 10.00 C HETATM 1369 O SEP B 203 9.558 2.505 -9.368 1.00 10.00 O HETATM 1370 P SEP B 203 13.524 -0.150 -8.605 1.00 10.00 P HETATM 1371 O1P SEP B 203 14.854 0.269 -9.083 1.00 10.00 O HETATM 1372 O2P SEP B 203 13.372 -1.609 -8.486 1.00 10.00 O HETATM 1373 O3P SEP B 203 13.459 0.380 -7.098 1.00 10.00 O HETATM 0 HB3 SEP B 203 11.174 -1.139 -9.293 1.00 10.00 H new HETATM 0 HB2 SEP B 203 10.579 0.124 -10.352 1.00 10.00 H new HETATM 0 HA SEP B 203 10.555 0.199 -7.296 1.00 10.00 H new ATOM 1378 N ASP B 204 10.370 2.614 -7.270 1.00 10.00 N ATOM 1379 CA ASP B 204 10.339 4.066 -7.177 1.00 10.00 C ATOM 1380 C ASP B 204 11.619 4.627 -6.554 1.00 10.00 C ATOM 1381 O ASP B 204 12.099 4.108 -5.553 1.00 10.00 O ATOM 1382 CB ASP B 204 9.113 4.516 -6.426 1.00 10.00 C ATOM 1383 CG ASP B 204 8.994 6.021 -6.388 1.00 10.00 C ATOM 1384 OD1 ASP B 204 8.846 6.575 -5.288 1.00 10.00 O ATOM 1385 OD2 ASP B 204 9.060 6.661 -7.467 1.00 10.00 O ATOM 0 H ASP B 204 10.698 2.152 -6.422 1.00 10.00 H new ATOM 0 HA ASP B 204 10.286 4.466 -8.190 1.00 10.00 H new ATOM 0 HB2 ASP B 204 8.225 4.094 -6.896 1.00 10.00 H new ATOM 0 HB3 ASP B 204 9.149 4.129 -5.408 1.00 10.00 H new HETATM 1390 N SEP B 205 12.194 5.644 -7.170 1.00 10.00 N HETATM 1391 CA SEP B 205 13.429 6.256 -6.670 1.00 10.00 C HETATM 1392 CB SEP B 205 14.573 5.975 -7.600 1.00 10.00 C HETATM 1393 OG SEP B 205 15.802 5.816 -6.905 1.00 10.00 O HETATM 1394 C SEP B 205 13.319 7.771 -6.504 1.00 10.00 C HETATM 1395 O SEP B 205 12.729 8.442 -7.355 1.00 10.00 O HETATM 1396 P SEP B 205 17.054 6.694 -7.348 1.00 10.00 P HETATM 1397 O1P SEP B 205 16.613 8.194 -7.038 1.00 10.00 O HETATM 1398 O2P SEP B 205 17.313 6.674 -8.798 1.00 10.00 O HETATM 1399 O3P SEP B 205 18.258 6.491 -6.522 1.00 10.00 O HETATM 0 HB3 SEP B 205 14.361 5.071 -8.172 1.00 10.00 H new HETATM 0 HB2 SEP B 205 14.666 6.791 -8.317 1.00 10.00 H new HETATM 0 HA SEP B 205 13.604 5.811 -5.690 1.00 10.00 H new ATOM 1404 N GLU B 206 13.851 8.303 -5.392 1.00 10.00 N ATOM 1405 CA GLU B 206 13.868 9.754 -5.150 1.00 10.00 C ATOM 1406 C GLU B 206 14.491 10.492 -6.343 1.00 10.00 C ATOM 1407 O GLU B 206 13.788 10.993 -7.227 1.00 10.00 O ATOM 1408 CB GLU B 206 14.674 10.070 -3.874 1.00 10.00 C ATOM 1409 CG GLU B 206 14.953 11.553 -3.662 1.00 10.00 C ATOM 1410 CD GLU B 206 13.691 12.384 -3.527 1.00 10.00 C ATOM 1411 OE1 GLU B 206 13.129 12.794 -4.566 1.00 10.00 O ATOM 1412 OE2 GLU B 206 13.255 12.633 -2.384 1.00 10.00 O ATOM 0 H GLU B 206 14.275 7.750 -4.647 1.00 10.00 H new ATOM 0 HA GLU B 206 12.839 10.091 -5.022 1.00 10.00 H new ATOM 0 HB2 GLU B 206 14.130 9.687 -3.010 1.00 10.00 H new ATOM 0 HB3 GLU B 206 15.623 9.536 -3.916 1.00 10.00 H new ATOM 0 HG2 GLU B 206 15.560 11.678 -2.765 1.00 10.00 H new ATOM 0 HG3 GLU B 206 15.540 11.929 -4.500 1.00 10.00 H new TER 1419 GLU B 206