USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 825 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 56 THR OG1 : rot 66:sc= -2.04! USER MOD Set 1.2: A 77 LYS NZ :NH3+ 144:sc= 2.02 (180deg=-0.419) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= -1.01 (180deg=-3.57!) USER MOD Single : A 2 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0352) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -167:sc= -1.04! USER MOD Single : A 14 SER OG : rot 13:sc= 0.927 USER MOD Single : A 16 LYS NZ :NH3+ -125:sc= -0.0386 (180deg=-0.384) USER MOD Single : A 18 TYR OH : rot -150:sc= -4.98! USER MOD Single : A 25 LYS NZ :NH3+ -118:sc= -2.44! (180deg=-5.66!) USER MOD Single : A 26 TYR OH : rot -56:sc= 0.0279 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 31 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -99:sc= -2.73! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0915 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -1.97! (180deg=-2.95!) USER MOD Single : A 55 ASN : amide:sc= -0.289 K(o=-0.29,f=-3.7!) USER MOD Single : A 58 HIS : no HE2:sc= -7.48! C(o=-7.5!,f=-8.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00495) USER MOD Single : A 64 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00437) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= -1.38! (180deg=-1.58!) USER MOD Single : A 82 GLN : amide:sc= -8.11! C(o=-8.1!,f=-9.9!) USER MOD Single : A 87 GLN : amide:sc= -11.8! C(o=-12!,f=-12!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.339 -13.490 12.165 1.00 0.00 N ATOM 2 CA MET A 1 -2.020 -13.099 10.761 1.00 0.00 C ATOM 3 C MET A 1 -3.055 -12.122 10.227 1.00 0.00 C ATOM 4 O MET A 1 -4.236 -12.286 10.453 1.00 0.00 O ATOM 5 CB MET A 1 -2.108 -14.389 9.942 1.00 0.00 C ATOM 6 CG MET A 1 -3.440 -15.088 10.226 1.00 0.00 C ATOM 7 SD MET A 1 -3.186 -16.879 10.271 1.00 0.00 S ATOM 8 CE MET A 1 -2.850 -17.016 12.044 1.00 0.00 C ATOM 0 H1 MET A 1 -1.995 -14.455 12.343 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.876 -12.831 12.823 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.368 -13.457 12.309 1.00 0.00 H new ATOM 0 HA MET A 1 -1.041 -12.624 10.705 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.024 -14.163 8.879 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.278 -15.049 10.194 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.848 -14.744 11.177 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.168 -14.833 9.456 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.661 -18.059 12.299 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.975 -16.417 12.296 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.711 -16.655 12.606 1.00 0.00 H new ATOM 20 N LYS A 2 -2.631 -11.139 9.477 1.00 0.00 N ATOM 21 CA LYS A 2 -3.616 -10.194 8.877 1.00 0.00 C ATOM 22 C LYS A 2 -4.776 -11.018 8.335 1.00 0.00 C ATOM 23 O LYS A 2 -4.666 -11.573 7.266 1.00 0.00 O ATOM 24 CB LYS A 2 -2.898 -9.510 7.702 1.00 0.00 C ATOM 25 CG LYS A 2 -1.502 -9.037 8.129 1.00 0.00 C ATOM 26 CD LYS A 2 -1.568 -8.420 9.530 1.00 0.00 C ATOM 27 CE LYS A 2 -0.574 -7.260 9.623 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.067 -6.422 10.751 1.00 0.00 N ATOM 0 H LYS A 2 -1.653 -10.951 9.256 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.983 -9.462 9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.814 -10.204 6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.486 -8.661 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.806 -9.876 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.123 -8.304 7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.578 -8.065 9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.336 -9.174 10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.437 -7.621 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.542 -6.692 8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.272 -5.895 11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.780 -5.752 10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.494 -7.033 11.477 1.00 0.00 H new ATOM 42 N THR A 3 -5.848 -11.116 9.090 1.00 0.00 N ATOM 43 CA THR A 3 -7.056 -11.930 8.681 1.00 0.00 C ATOM 44 C THR A 3 -6.793 -12.672 7.374 1.00 0.00 C ATOM 45 O THR A 3 -6.594 -13.868 7.357 1.00 0.00 O ATOM 46 CB THR A 3 -8.158 -10.888 8.487 1.00 0.00 C ATOM 47 OG1 THR A 3 -8.736 -10.569 9.744 1.00 0.00 O ATOM 48 CG2 THR A 3 -9.236 -11.427 7.547 1.00 0.00 C ATOM 0 H THR A 3 -5.944 -10.657 9.996 1.00 0.00 H new ATOM 0 HA THR A 3 -7.315 -12.689 9.419 1.00 0.00 H new ATOM 0 HB THR A 3 -7.724 -9.990 8.047 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.441 -9.900 9.619 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.015 -10.675 7.417 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.792 -11.660 6.579 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.672 -12.331 7.973 1.00 0.00 H new ATOM 56 N ALA A 4 -6.743 -11.950 6.294 1.00 0.00 N ATOM 57 CA ALA A 4 -6.428 -12.573 4.985 1.00 0.00 C ATOM 58 C ALA A 4 -5.098 -13.310 5.101 1.00 0.00 C ATOM 59 O ALA A 4 -4.080 -12.774 4.735 1.00 0.00 O ATOM 60 CB ALA A 4 -6.256 -11.388 4.058 1.00 0.00 C ATOM 0 H ALA A 4 -6.909 -10.944 6.263 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.186 -13.278 4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.018 -11.742 3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.180 -10.811 4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.445 -10.757 4.421 1.00 0.00 H new ATOM 66 N TYR A 5 -5.103 -14.508 5.631 1.00 0.00 N ATOM 67 CA TYR A 5 -3.828 -15.289 5.816 1.00 0.00 C ATOM 68 C TYR A 5 -2.624 -14.341 5.877 1.00 0.00 C ATOM 69 O TYR A 5 -1.622 -14.537 5.218 1.00 0.00 O ATOM 70 CB TYR A 5 -3.722 -16.260 4.628 1.00 0.00 C ATOM 71 CG TYR A 5 -4.018 -15.564 3.320 1.00 0.00 C ATOM 72 CD1 TYR A 5 -5.312 -15.118 3.041 1.00 0.00 C ATOM 73 CD2 TYR A 5 -2.995 -15.378 2.381 1.00 0.00 C ATOM 74 CE1 TYR A 5 -5.586 -14.483 1.827 1.00 0.00 C ATOM 75 CE2 TYR A 5 -3.270 -14.742 1.163 1.00 0.00 C ATOM 76 CZ TYR A 5 -4.568 -14.295 0.889 1.00 0.00 C ATOM 77 OH TYR A 5 -4.843 -13.668 -0.307 1.00 0.00 O ATOM 0 H TYR A 5 -5.944 -14.989 5.949 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.836 -15.843 6.755 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.721 -16.689 4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.419 -17.086 4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -6.101 -15.264 3.764 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.995 -15.725 2.596 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.587 -14.137 1.613 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.483 -14.597 0.438 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.093 -13.798 -0.924 1.00 0.00 H new ATOM 87 N ASP A 6 -2.746 -13.306 6.668 1.00 0.00 N ATOM 88 CA ASP A 6 -1.654 -12.297 6.816 1.00 0.00 C ATOM 89 C ASP A 6 -1.405 -11.541 5.504 1.00 0.00 C ATOM 90 O ASP A 6 -0.295 -11.431 5.025 1.00 0.00 O ATOM 91 CB ASP A 6 -0.435 -13.085 7.295 1.00 0.00 C ATOM 92 CG ASP A 6 0.838 -12.258 7.109 1.00 0.00 C ATOM 93 OD1 ASP A 6 0.817 -11.089 7.458 1.00 0.00 O ATOM 94 OD2 ASP A 6 1.813 -12.808 6.624 1.00 0.00 O ATOM 0 H ASP A 6 -3.575 -13.114 7.230 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.910 -11.516 7.532 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.555 -13.350 8.346 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.355 -14.019 6.738 1.00 0.00 H new ATOM 99 N VAL A 7 -2.448 -10.992 4.931 1.00 0.00 N ATOM 100 CA VAL A 7 -2.297 -10.210 3.669 1.00 0.00 C ATOM 101 C VAL A 7 -3.072 -8.888 3.788 1.00 0.00 C ATOM 102 O VAL A 7 -2.932 -8.161 4.751 1.00 0.00 O ATOM 103 CB VAL A 7 -2.902 -11.062 2.555 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.342 -10.583 1.221 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.570 -12.538 2.746 1.00 0.00 C ATOM 0 H VAL A 7 -3.402 -11.054 5.287 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.251 -9.978 3.467 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.987 -10.956 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.764 -11.181 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.604 -9.535 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.257 -10.689 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.014 -13.118 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.488 -12.672 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.970 -12.880 3.701 1.00 0.00 H new ATOM 115 N ILE A 8 -3.894 -8.582 2.818 1.00 0.00 N ATOM 116 CA ILE A 8 -4.689 -7.326 2.862 1.00 0.00 C ATOM 117 C ILE A 8 -5.404 -7.190 4.210 1.00 0.00 C ATOM 118 O ILE A 8 -5.674 -8.166 4.882 1.00 0.00 O ATOM 119 CB ILE A 8 -5.701 -7.491 1.728 1.00 0.00 C ATOM 120 CG1 ILE A 8 -4.966 -7.853 0.442 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.449 -6.179 1.512 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.392 -9.249 0.000 1.00 0.00 C ATOM 0 H ILE A 8 -4.048 -9.157 1.990 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.075 -6.433 2.750 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.406 -8.279 1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.193 -7.126 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.888 -7.822 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.170 -6.300 0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.974 -5.904 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.739 -5.394 1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.870 -9.515 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.143 -9.969 0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.468 -9.262 -0.176 1.00 0.00 H new ATOM 134 N LEU A 9 -5.714 -5.987 4.609 1.00 0.00 N ATOM 135 CA LEU A 9 -6.414 -5.789 5.911 1.00 0.00 C ATOM 136 C LEU A 9 -7.484 -4.698 5.776 1.00 0.00 C ATOM 137 O LEU A 9 -8.588 -4.955 5.339 1.00 0.00 O ATOM 138 CB LEU A 9 -5.318 -5.358 6.889 1.00 0.00 C ATOM 139 CG LEU A 9 -4.561 -6.592 7.382 1.00 0.00 C ATOM 140 CD1 LEU A 9 -3.422 -6.158 8.305 1.00 0.00 C ATOM 141 CD2 LEU A 9 -5.521 -7.503 8.152 1.00 0.00 C ATOM 0 H LEU A 9 -5.513 -5.132 4.090 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.925 -6.690 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.631 -4.668 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.757 -4.826 7.733 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.151 -7.132 6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.883 -7.038 8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.739 -5.508 7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.831 -5.619 9.159 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.983 -8.383 8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.930 -6.962 9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.334 -7.813 7.495 1.00 0.00 H new ATOM 153 N ALA A 10 -7.171 -3.485 6.147 1.00 0.00 N ATOM 154 CA ALA A 10 -8.177 -2.390 6.035 1.00 0.00 C ATOM 155 C ALA A 10 -7.796 -1.434 4.901 1.00 0.00 C ATOM 156 O ALA A 10 -6.637 -1.121 4.716 1.00 0.00 O ATOM 157 CB ALA A 10 -8.130 -1.668 7.382 1.00 0.00 C ATOM 0 H ALA A 10 -6.264 -3.206 6.522 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.174 -2.768 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.845 -0.845 7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.384 -2.367 8.179 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.127 -1.276 7.550 1.00 0.00 H new ATOM 163 N PRO A 11 -8.793 -1.001 4.179 1.00 0.00 N ATOM 164 CA PRO A 11 -8.566 -0.068 3.049 1.00 0.00 C ATOM 165 C PRO A 11 -8.238 1.333 3.577 1.00 0.00 C ATOM 166 O PRO A 11 -8.489 1.648 4.723 1.00 0.00 O ATOM 167 CB PRO A 11 -9.900 -0.071 2.309 1.00 0.00 C ATOM 168 CG PRO A 11 -10.915 -0.464 3.336 1.00 0.00 C ATOM 169 CD PRO A 11 -10.211 -1.338 4.343 1.00 0.00 C ATOM 0 HA PRO A 11 -7.731 -0.358 2.411 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.121 0.911 1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.888 -0.775 1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.336 0.418 3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.744 -1.000 2.873 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.555 -1.134 5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.394 -2.395 4.151 1.00 0.00 H new ATOM 177 N VAL A 12 -7.678 2.174 2.751 1.00 0.00 N ATOM 178 CA VAL A 12 -7.337 3.550 3.213 1.00 0.00 C ATOM 179 C VAL A 12 -8.422 4.540 2.782 1.00 0.00 C ATOM 180 O VAL A 12 -8.944 4.462 1.689 1.00 0.00 O ATOM 181 CB VAL A 12 -6.006 3.888 2.535 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.072 2.677 2.592 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.256 4.267 1.072 1.00 0.00 C ATOM 0 H VAL A 12 -7.442 1.969 1.780 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.265 3.608 4.299 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.543 4.726 3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.127 2.923 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.888 2.408 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.535 1.836 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.308 4.507 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.724 3.430 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.915 5.134 1.028 1.00 0.00 H new ATOM 193 N LEU A 13 -8.758 5.473 3.626 1.00 0.00 N ATOM 194 CA LEU A 13 -9.800 6.467 3.250 1.00 0.00 C ATOM 195 C LEU A 13 -9.149 7.797 2.868 1.00 0.00 C ATOM 196 O LEU A 13 -8.564 8.474 3.690 1.00 0.00 O ATOM 197 CB LEU A 13 -10.669 6.634 4.497 1.00 0.00 C ATOM 198 CG LEU A 13 -11.547 5.393 4.694 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.195 5.002 3.364 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.689 4.234 5.201 1.00 0.00 C ATOM 0 H LEU A 13 -8.358 5.591 4.557 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.385 6.140 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.038 6.786 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.295 7.521 4.398 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.325 5.617 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.818 4.119 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.811 5.826 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.418 4.782 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.314 3.352 5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.908 4.014 4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.232 4.509 6.151 1.00 0.00 H new ATOM 212 N SER A 14 -9.247 8.175 1.623 1.00 0.00 N ATOM 213 CA SER A 14 -8.634 9.461 1.185 1.00 0.00 C ATOM 214 C SER A 14 -9.078 9.792 -0.243 1.00 0.00 C ATOM 215 O SER A 14 -9.235 8.919 -1.071 1.00 0.00 O ATOM 216 CB SER A 14 -7.127 9.219 1.237 1.00 0.00 C ATOM 217 OG SER A 14 -6.664 9.423 2.565 1.00 0.00 O ATOM 0 H SER A 14 -9.725 7.650 0.891 1.00 0.00 H new ATOM 0 HA SER A 14 -8.931 10.300 1.815 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.899 8.204 0.912 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.615 9.896 0.553 1.00 0.00 H new ATOM 0 HG SER A 14 -7.430 9.474 3.174 1.00 0.00 H new ATOM 223 N GLU A 15 -9.283 11.047 -0.535 1.00 0.00 N ATOM 224 CA GLU A 15 -9.719 11.430 -1.908 1.00 0.00 C ATOM 225 C GLU A 15 -8.926 10.638 -2.953 1.00 0.00 C ATOM 226 O GLU A 15 -9.485 10.061 -3.865 1.00 0.00 O ATOM 227 CB GLU A 15 -9.413 12.924 -2.020 1.00 0.00 C ATOM 228 CG GLU A 15 -10.537 13.727 -1.360 1.00 0.00 C ATOM 229 CD GLU A 15 -10.880 14.936 -2.233 1.00 0.00 C ATOM 230 OE1 GLU A 15 -10.610 14.880 -3.421 1.00 0.00 O ATOM 231 OE2 GLU A 15 -11.406 15.897 -1.697 1.00 0.00 O ATOM 0 H GLU A 15 -9.168 11.823 0.117 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.774 11.218 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.461 13.148 -1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.315 13.208 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.418 13.099 -1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.229 14.057 -0.368 1.00 0.00 H new ATOM 238 N LYS A 16 -7.627 10.610 -2.829 1.00 0.00 N ATOM 239 CA LYS A 16 -6.798 9.861 -3.812 1.00 0.00 C ATOM 240 C LYS A 16 -7.274 8.409 -3.912 1.00 0.00 C ATOM 241 O LYS A 16 -6.973 7.711 -4.860 1.00 0.00 O ATOM 242 CB LYS A 16 -5.375 9.919 -3.255 1.00 0.00 C ATOM 243 CG LYS A 16 -4.473 10.670 -4.237 1.00 0.00 C ATOM 244 CD LYS A 16 -3.064 10.783 -3.652 1.00 0.00 C ATOM 245 CE LYS A 16 -2.343 11.973 -4.289 1.00 0.00 C ATOM 246 NZ LYS A 16 -2.898 13.171 -3.602 1.00 0.00 N ATOM 0 H LYS A 16 -7.104 11.075 -2.087 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.863 10.286 -4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.372 10.419 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.995 8.910 -3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.441 10.145 -5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.878 11.663 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.116 10.912 -2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.507 9.865 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.264 11.902 -4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.523 12.015 -5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.274 13.834 -4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.662 12.880 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.146 13.638 -3.056 1.00 0.00 H new ATOM 260 N ALA A 17 -8.017 7.950 -2.943 1.00 0.00 N ATOM 261 CA ALA A 17 -8.513 6.547 -2.985 1.00 0.00 C ATOM 262 C ALA A 17 -10.007 6.529 -3.308 1.00 0.00 C ATOM 263 O ALA A 17 -10.453 5.819 -4.188 1.00 0.00 O ATOM 264 CB ALA A 17 -8.259 5.994 -1.582 1.00 0.00 C ATOM 0 H ALA A 17 -8.302 8.487 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.014 5.953 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.599 4.960 -1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.192 6.037 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.804 6.591 -0.851 1.00 0.00 H new ATOM 270 N TYR A 18 -10.785 7.308 -2.608 1.00 0.00 N ATOM 271 CA TYR A 18 -12.249 7.336 -2.884 1.00 0.00 C ATOM 272 C TYR A 18 -12.493 7.683 -4.351 1.00 0.00 C ATOM 273 O TYR A 18 -13.168 6.969 -5.066 1.00 0.00 O ATOM 274 CB TYR A 18 -12.808 8.422 -1.969 1.00 0.00 C ATOM 275 CG TYR A 18 -13.288 7.791 -0.686 1.00 0.00 C ATOM 276 CD1 TYR A 18 -14.023 6.599 -0.726 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.999 8.394 0.543 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.468 6.011 0.465 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.445 7.807 1.733 1.00 0.00 C ATOM 280 CZ TYR A 18 -14.179 6.615 1.694 1.00 0.00 C ATOM 281 OH TYR A 18 -14.618 6.039 2.867 1.00 0.00 O ATOM 0 H TYR A 18 -10.471 7.925 -1.859 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.726 6.374 -2.700 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.040 9.166 -1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.629 8.942 -2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.246 6.134 -1.675 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.432 9.313 0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.034 5.092 0.435 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.223 8.274 2.681 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.776 6.738 3.535 1.00 0.00 H new ATOM 291 N ALA A 19 -11.933 8.768 -4.814 1.00 0.00 N ATOM 292 CA ALA A 19 -12.120 9.144 -6.241 1.00 0.00 C ATOM 293 C ALA A 19 -11.488 8.072 -7.131 1.00 0.00 C ATOM 294 O ALA A 19 -11.718 8.016 -8.323 1.00 0.00 O ATOM 295 CB ALA A 19 -11.397 10.481 -6.403 1.00 0.00 C ATOM 0 H ALA A 19 -11.356 9.407 -4.267 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.170 9.226 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.491 10.823 -7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.841 11.218 -5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.342 10.356 -6.157 1.00 0.00 H new ATOM 301 N GLY A 20 -10.713 7.201 -6.544 1.00 0.00 N ATOM 302 CA GLY A 20 -10.079 6.104 -7.321 1.00 0.00 C ATOM 303 C GLY A 20 -11.029 4.918 -7.277 1.00 0.00 C ATOM 304 O GLY A 20 -11.372 4.338 -8.285 1.00 0.00 O ATOM 0 H GLY A 20 -10.491 7.205 -5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.899 6.415 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.112 5.839 -6.894 1.00 0.00 H new ATOM 308 N PHE A 21 -11.496 4.580 -6.108 1.00 0.00 N ATOM 309 CA PHE A 21 -12.467 3.463 -6.002 1.00 0.00 C ATOM 310 C PHE A 21 -13.533 3.659 -7.069 1.00 0.00 C ATOM 311 O PHE A 21 -14.150 2.728 -7.547 1.00 0.00 O ATOM 312 CB PHE A 21 -13.088 3.620 -4.617 1.00 0.00 C ATOM 313 CG PHE A 21 -12.045 3.419 -3.537 1.00 0.00 C ATOM 314 CD1 PHE A 21 -10.713 3.146 -3.877 1.00 0.00 C ATOM 315 CD2 PHE A 21 -12.416 3.516 -2.191 1.00 0.00 C ATOM 316 CE1 PHE A 21 -9.756 2.970 -2.871 1.00 0.00 C ATOM 317 CE2 PHE A 21 -11.459 3.339 -1.185 1.00 0.00 C ATOM 318 CZ PHE A 21 -10.130 3.067 -1.525 1.00 0.00 C ATOM 0 H PHE A 21 -11.247 5.028 -5.226 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.014 2.481 -6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -13.531 4.611 -4.522 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -13.894 2.897 -4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.425 3.071 -4.915 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.442 3.728 -1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.730 2.759 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -11.747 3.412 -0.147 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.391 2.932 -0.749 1.00 0.00 H new ATOM 328 N ALA A 22 -13.748 4.888 -7.430 1.00 0.00 N ATOM 329 CA ALA A 22 -14.766 5.216 -8.456 1.00 0.00 C ATOM 330 C ALA A 22 -14.734 4.188 -9.590 1.00 0.00 C ATOM 331 O ALA A 22 -15.726 3.945 -10.249 1.00 0.00 O ATOM 332 CB ALA A 22 -14.363 6.595 -8.980 1.00 0.00 C ATOM 0 H ALA A 22 -13.251 5.694 -7.050 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.777 5.207 -8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.069 6.913 -9.747 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.371 7.313 -8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.362 6.543 -9.407 1.00 0.00 H new ATOM 338 N GLU A 23 -13.597 3.592 -9.829 1.00 0.00 N ATOM 339 CA GLU A 23 -13.501 2.592 -10.934 1.00 0.00 C ATOM 340 C GLU A 23 -13.459 1.157 -10.391 1.00 0.00 C ATOM 341 O GLU A 23 -13.099 0.233 -11.093 1.00 0.00 O ATOM 342 CB GLU A 23 -12.208 2.936 -11.683 1.00 0.00 C ATOM 343 CG GLU A 23 -11.045 3.099 -10.704 1.00 0.00 C ATOM 344 CD GLU A 23 -10.591 4.560 -10.696 1.00 0.00 C ATOM 345 OE1 GLU A 23 -11.437 5.422 -10.526 1.00 0.00 O ATOM 346 OE2 GLU A 23 -9.404 4.791 -10.860 1.00 0.00 O ATOM 0 H GLU A 23 -12.734 3.752 -9.310 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.372 2.636 -11.588 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.978 2.150 -12.402 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.344 3.857 -12.251 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.352 2.796 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.218 2.451 -10.993 1.00 0.00 H new ATOM 353 N GLY A 24 -13.844 0.955 -9.160 1.00 0.00 N ATOM 354 CA GLY A 24 -13.845 -0.419 -8.595 1.00 0.00 C ATOM 355 C GLY A 24 -12.477 -0.755 -7.998 1.00 0.00 C ATOM 356 O GLY A 24 -12.223 -1.874 -7.601 1.00 0.00 O ATOM 0 H GLY A 24 -14.158 1.686 -8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.614 -0.502 -7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.095 -1.139 -9.375 1.00 0.00 H new ATOM 360 N LYS A 25 -11.594 0.201 -7.931 1.00 0.00 N ATOM 361 CA LYS A 25 -10.242 -0.073 -7.359 1.00 0.00 C ATOM 362 C LYS A 25 -10.275 0.061 -5.831 1.00 0.00 C ATOM 363 O LYS A 25 -10.838 0.993 -5.297 1.00 0.00 O ATOM 364 CB LYS A 25 -9.332 1.000 -7.967 1.00 0.00 C ATOM 365 CG LYS A 25 -8.803 0.524 -9.320 1.00 0.00 C ATOM 366 CD LYS A 25 -9.976 0.212 -10.245 1.00 0.00 C ATOM 367 CE LYS A 25 -9.535 0.355 -11.705 1.00 0.00 C ATOM 368 NZ LYS A 25 -8.592 -0.778 -11.947 1.00 0.00 N ATOM 0 H LYS A 25 -11.747 1.159 -8.246 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.896 -1.082 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.884 1.932 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.500 1.209 -7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.170 1.291 -9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.184 -0.363 -9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.337 -0.800 -10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.805 0.889 -10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.389 0.306 -12.380 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.048 1.315 -11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.653 -0.402 -12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.521 -1.360 -11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.944 -1.361 -12.733 1.00 0.00 H new ATOM 382 N TYR A 26 -9.684 -0.861 -5.116 1.00 0.00 N ATOM 383 CA TYR A 26 -9.707 -0.758 -3.626 1.00 0.00 C ATOM 384 C TYR A 26 -8.296 -0.845 -3.034 1.00 0.00 C ATOM 385 O TYR A 26 -7.666 -1.883 -3.037 1.00 0.00 O ATOM 386 CB TYR A 26 -10.572 -1.930 -3.163 1.00 0.00 C ATOM 387 CG TYR A 26 -11.975 -1.759 -3.703 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.827 -0.794 -3.148 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.421 -2.564 -4.757 1.00 0.00 C ATOM 390 CE1 TYR A 26 -14.125 -0.634 -3.651 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.719 -2.403 -5.259 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.570 -1.438 -4.707 1.00 0.00 C ATOM 393 OH TYR A 26 -15.849 -1.281 -5.201 1.00 0.00 O ATOM 0 H TYR A 26 -9.192 -1.671 -5.493 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.105 0.201 -3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.147 -2.871 -3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.592 -1.975 -2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.483 -0.174 -2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.765 -3.309 -5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.782 0.109 -3.224 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.064 -3.024 -6.073 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.496 -1.378 -4.471 1.00 0.00 H new ATOM 403 N THR A 27 -7.817 0.251 -2.507 1.00 0.00 N ATOM 404 CA THR A 27 -6.467 0.283 -1.888 1.00 0.00 C ATOM 405 C THR A 27 -6.513 -0.390 -0.522 1.00 0.00 C ATOM 406 O THR A 27 -7.420 -0.180 0.258 1.00 0.00 O ATOM 407 CB THR A 27 -6.133 1.771 -1.738 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.609 2.485 -2.874 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.619 1.946 -1.619 1.00 0.00 C ATOM 0 H THR A 27 -8.317 1.140 -2.481 1.00 0.00 H new ATOM 0 HA THR A 27 -5.722 -0.242 -2.485 1.00 0.00 H new ATOM 0 HB THR A 27 -6.614 2.161 -0.841 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.396 3.436 -2.775 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.382 3.005 -1.512 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.258 1.404 -0.745 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.136 1.555 -2.514 1.00 0.00 H new ATOM 417 N PHE A 28 -5.550 -1.207 -0.238 1.00 0.00 N ATOM 418 CA PHE A 28 -5.535 -1.916 1.068 1.00 0.00 C ATOM 419 C PHE A 28 -4.182 -1.757 1.752 1.00 0.00 C ATOM 420 O PHE A 28 -3.206 -1.401 1.134 1.00 0.00 O ATOM 421 CB PHE A 28 -5.757 -3.379 0.717 1.00 0.00 C ATOM 422 CG PHE A 28 -7.075 -3.549 0.010 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.164 -2.737 0.348 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.208 -4.522 -0.985 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.388 -2.900 -0.309 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.433 -4.686 -1.644 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.522 -3.874 -1.307 1.00 0.00 C ATOM 0 H PHE A 28 -4.766 -1.418 -0.855 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.290 -1.523 1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.946 -3.735 0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.741 -3.985 1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.059 -1.985 1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.367 -5.147 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.229 -2.275 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.537 -5.439 -2.412 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.466 -3.998 -1.817 1.00 0.00 H new ATOM 437 N TRP A 29 -4.112 -2.065 3.015 1.00 0.00 N ATOM 438 CA TRP A 29 -2.815 -1.983 3.731 1.00 0.00 C ATOM 439 C TRP A 29 -2.327 -3.411 3.902 1.00 0.00 C ATOM 440 O TRP A 29 -3.029 -4.251 4.428 1.00 0.00 O ATOM 441 CB TRP A 29 -3.128 -1.341 5.083 1.00 0.00 C ATOM 442 CG TRP A 29 -3.085 0.147 4.951 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.113 0.981 5.232 1.00 0.00 C ATOM 444 CD2 TRP A 29 -1.981 0.993 4.513 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.711 2.282 4.994 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.406 2.343 4.549 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.666 0.723 4.091 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.556 3.387 4.180 1.00 0.00 C ATOM 449 CZ3 TRP A 29 0.191 1.772 3.718 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.253 3.100 3.764 1.00 0.00 C ATOM 0 H TRP A 29 -4.902 -2.371 3.583 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.052 -1.403 3.213 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.112 -1.658 5.429 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.406 -1.671 5.830 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.088 0.679 5.585 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.307 3.098 5.131 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.313 -0.297 4.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.903 4.409 4.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.198 1.553 3.394 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.412 3.902 3.478 1.00 0.00 H new ATOM 461 N VAL A 30 -1.168 -3.724 3.416 1.00 0.00 N ATOM 462 CA VAL A 30 -0.718 -5.126 3.517 1.00 0.00 C ATOM 463 C VAL A 30 0.805 -5.222 3.583 1.00 0.00 C ATOM 464 O VAL A 30 1.517 -4.278 3.303 1.00 0.00 O ATOM 465 CB VAL A 30 -1.270 -5.759 2.244 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.992 -4.851 1.042 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.619 -7.101 2.013 1.00 0.00 C ATOM 0 H VAL A 30 -0.522 -3.080 2.960 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.066 -5.623 4.423 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.346 -5.890 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.390 -5.312 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.471 -3.884 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.083 -4.710 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.018 -7.547 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.458 -6.970 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.826 -7.756 2.859 1.00 0.00 H new ATOM 477 N HIS A 31 1.299 -6.362 3.968 1.00 0.00 N ATOM 478 CA HIS A 31 2.773 -6.550 4.082 1.00 0.00 C ATOM 479 C HIS A 31 3.458 -6.300 2.737 1.00 0.00 C ATOM 480 O HIS A 31 2.887 -6.541 1.692 1.00 0.00 O ATOM 481 CB HIS A 31 2.951 -8.006 4.509 1.00 0.00 C ATOM 482 CG HIS A 31 3.852 -8.069 5.711 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.795 -7.131 6.728 1.00 0.00 N ATOM 484 CD2 HIS A 31 4.839 -8.955 6.073 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.720 -7.468 7.645 1.00 0.00 C ATOM 486 NE2 HIS A 31 5.385 -8.573 7.295 1.00 0.00 N ATOM 0 H HIS A 31 0.741 -7.181 4.211 1.00 0.00 H new ATOM 0 HA HIS A 31 3.219 -5.853 4.792 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.983 -8.448 4.743 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.377 -8.587 3.691 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.144 -9.816 5.497 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.903 -6.913 8.553 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.132 -9.037 7.812 1.00 0.00 H new ATOM 494 N PRO A 32 4.672 -5.829 2.819 1.00 0.00 N ATOM 495 CA PRO A 32 5.470 -5.546 1.601 1.00 0.00 C ATOM 496 C PRO A 32 5.931 -6.855 0.967 1.00 0.00 C ATOM 497 O PRO A 32 7.096 -7.197 1.002 1.00 0.00 O ATOM 498 CB PRO A 32 6.658 -4.757 2.132 1.00 0.00 C ATOM 499 CG PRO A 32 6.790 -5.165 3.564 1.00 0.00 C ATOM 500 CD PRO A 32 5.409 -5.523 4.049 1.00 0.00 C ATOM 0 HA PRO A 32 4.916 -5.006 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.565 -4.986 1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.490 -3.684 2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.466 -6.015 3.662 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.210 -4.354 4.159 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.432 -6.378 4.724 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.951 -4.698 4.595 1.00 0.00 H new ATOM 508 N LYS A 33 5.024 -7.600 0.405 1.00 0.00 N ATOM 509 CA LYS A 33 5.412 -8.900 -0.207 1.00 0.00 C ATOM 510 C LYS A 33 4.183 -9.601 -0.785 1.00 0.00 C ATOM 511 O LYS A 33 4.260 -10.289 -1.783 1.00 0.00 O ATOM 512 CB LYS A 33 5.996 -9.714 0.952 1.00 0.00 C ATOM 513 CG LYS A 33 5.127 -9.530 2.204 1.00 0.00 C ATOM 514 CD LYS A 33 4.574 -10.887 2.646 1.00 0.00 C ATOM 515 CE LYS A 33 3.073 -10.947 2.357 1.00 0.00 C ATOM 516 NZ LYS A 33 2.541 -11.966 3.303 1.00 0.00 N ATOM 0 H LYS A 33 4.033 -7.367 0.342 1.00 0.00 H new ATOM 0 HA LYS A 33 6.121 -8.779 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.042 -10.769 0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.017 -9.393 1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.716 -9.087 3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.308 -8.843 1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.089 -11.690 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.756 -11.036 3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.601 -9.977 2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.881 -11.230 1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.515 -12.065 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.004 -12.880 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.732 -11.666 4.280 1.00 0.00 H new ATOM 530 N ALA A 34 3.050 -9.435 -0.159 1.00 0.00 N ATOM 531 CA ALA A 34 1.814 -10.095 -0.664 1.00 0.00 C ATOM 532 C ALA A 34 1.741 -9.990 -2.190 1.00 0.00 C ATOM 533 O ALA A 34 1.337 -8.981 -2.733 1.00 0.00 O ATOM 534 CB ALA A 34 0.663 -9.325 -0.019 1.00 0.00 C ATOM 0 H ALA A 34 2.927 -8.870 0.681 1.00 0.00 H new ATOM 0 HA ALA A 34 1.784 -11.156 -0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.286 -9.752 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.741 -9.395 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.712 -8.278 -0.320 1.00 0.00 H new ATOM 540 N THR A 35 2.131 -11.024 -2.885 1.00 0.00 N ATOM 541 CA THR A 35 2.084 -10.978 -4.374 1.00 0.00 C ATOM 542 C THR A 35 0.728 -10.446 -4.844 1.00 0.00 C ATOM 543 O THR A 35 -0.300 -10.734 -4.262 1.00 0.00 O ATOM 544 CB THR A 35 2.279 -12.428 -4.821 1.00 0.00 C ATOM 545 OG1 THR A 35 1.957 -13.300 -3.748 1.00 0.00 O ATOM 546 CG2 THR A 35 3.735 -12.641 -5.235 1.00 0.00 C ATOM 0 H THR A 35 2.479 -11.896 -2.487 1.00 0.00 H new ATOM 0 HA THR A 35 2.844 -10.318 -4.792 1.00 0.00 H new ATOM 0 HB THR A 35 1.627 -12.640 -5.668 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.781 -13.587 -3.301 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.875 -13.674 -5.554 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.981 -11.971 -6.058 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.388 -12.431 -4.388 1.00 0.00 H new ATOM 554 N LYS A 36 0.718 -9.669 -5.892 1.00 0.00 N ATOM 555 CA LYS A 36 -0.570 -9.114 -6.399 1.00 0.00 C ATOM 556 C LYS A 36 -1.608 -10.231 -6.549 1.00 0.00 C ATOM 557 O LYS A 36 -2.751 -10.086 -6.164 1.00 0.00 O ATOM 558 CB LYS A 36 -0.231 -8.509 -7.763 1.00 0.00 C ATOM 559 CG LYS A 36 0.893 -7.481 -7.602 1.00 0.00 C ATOM 560 CD LYS A 36 0.980 -6.619 -8.863 1.00 0.00 C ATOM 561 CE LYS A 36 1.094 -5.144 -8.469 1.00 0.00 C ATOM 562 NZ LYS A 36 1.833 -4.503 -9.591 1.00 0.00 N ATOM 0 H LYS A 36 1.546 -9.394 -6.420 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.996 -8.376 -5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.076 -9.294 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.114 -8.034 -8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.704 -6.853 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.842 -7.988 -7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.843 -6.915 -9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.097 -6.773 -9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.110 -4.694 -8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.628 -5.027 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.951 -3.489 -9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.768 -4.948 -9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.297 -4.624 -10.474 1.00 0.00 H new ATOM 576 N THR A 37 -1.219 -11.347 -7.103 1.00 0.00 N ATOM 577 CA THR A 37 -2.183 -12.473 -7.274 1.00 0.00 C ATOM 578 C THR A 37 -2.636 -13.003 -5.913 1.00 0.00 C ATOM 579 O THR A 37 -3.813 -13.157 -5.657 1.00 0.00 O ATOM 580 CB THR A 37 -1.412 -13.542 -8.027 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.562 -12.932 -8.987 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.394 -14.482 -8.727 1.00 0.00 C ATOM 0 H THR A 37 -0.275 -11.528 -7.445 1.00 0.00 H new ATOM 0 HA THR A 37 -3.082 -12.163 -7.807 1.00 0.00 H new ATOM 0 HB THR A 37 -0.805 -14.113 -7.325 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.064 -13.624 -9.470 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.840 -15.250 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.038 -14.954 -7.985 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.005 -13.913 -9.428 1.00 0.00 H new ATOM 590 N GLU A 38 -1.712 -13.281 -5.036 1.00 0.00 N ATOM 591 CA GLU A 38 -2.097 -13.800 -3.692 1.00 0.00 C ATOM 592 C GLU A 38 -3.077 -12.835 -3.028 1.00 0.00 C ATOM 593 O GLU A 38 -4.051 -13.239 -2.429 1.00 0.00 O ATOM 594 CB GLU A 38 -0.789 -13.864 -2.902 1.00 0.00 C ATOM 595 CG GLU A 38 -0.192 -15.268 -3.014 1.00 0.00 C ATOM 596 CD GLU A 38 -0.329 -15.990 -1.673 1.00 0.00 C ATOM 597 OE1 GLU A 38 0.365 -15.610 -0.744 1.00 0.00 O ATOM 598 OE2 GLU A 38 -1.127 -16.911 -1.596 1.00 0.00 O ATOM 0 H GLU A 38 -0.710 -13.172 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.586 -14.773 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.084 -13.126 -3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.971 -13.617 -1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.703 -15.830 -3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.858 -15.206 -3.300 1.00 0.00 H new ATOM 605 N ILE A 39 -2.830 -11.561 -3.141 1.00 0.00 N ATOM 606 CA ILE A 39 -3.748 -10.563 -2.524 1.00 0.00 C ATOM 607 C ILE A 39 -5.169 -10.756 -3.070 1.00 0.00 C ATOM 608 O ILE A 39 -6.149 -10.497 -2.400 1.00 0.00 O ATOM 609 CB ILE A 39 -3.172 -9.206 -2.949 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.025 -8.832 -2.008 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.249 -8.119 -2.888 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.424 -7.495 -2.442 1.00 0.00 C ATOM 0 H ILE A 39 -2.030 -11.166 -3.635 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.816 -10.655 -1.440 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.810 -9.283 -3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.389 -8.763 -0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.260 -9.609 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.820 -7.164 -3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.068 -8.380 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.627 -8.038 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.607 -7.229 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.045 -7.580 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.191 -6.722 -2.404 1.00 0.00 H new ATOM 624 N LYS A 40 -5.284 -11.204 -4.286 1.00 0.00 N ATOM 625 CA LYS A 40 -6.632 -11.412 -4.892 1.00 0.00 C ATOM 626 C LYS A 40 -7.443 -12.438 -4.091 1.00 0.00 C ATOM 627 O LYS A 40 -8.611 -12.246 -3.815 1.00 0.00 O ATOM 628 CB LYS A 40 -6.339 -11.954 -6.289 1.00 0.00 C ATOM 629 CG LYS A 40 -7.616 -11.928 -7.127 1.00 0.00 C ATOM 630 CD LYS A 40 -7.298 -11.401 -8.528 1.00 0.00 C ATOM 631 CE LYS A 40 -8.329 -11.939 -9.523 1.00 0.00 C ATOM 632 NZ LYS A 40 -7.524 -12.511 -10.638 1.00 0.00 N ATOM 0 H LYS A 40 -4.498 -11.438 -4.893 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.220 -10.494 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.565 -11.354 -6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.957 -12.973 -6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.041 -12.930 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.364 -11.294 -6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.310 -10.311 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.295 -11.709 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.963 -12.698 -9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.987 -11.146 -9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.161 -12.901 -11.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.936 -11.764 -11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.912 -13.268 -10.272 1.00 0.00 H new ATOM 646 N ASN A 41 -6.836 -13.536 -3.746 1.00 0.00 N ATOM 647 CA ASN A 41 -7.562 -14.604 -2.994 1.00 0.00 C ATOM 648 C ASN A 41 -8.122 -14.100 -1.654 1.00 0.00 C ATOM 649 O ASN A 41 -9.165 -14.541 -1.214 1.00 0.00 O ATOM 650 CB ASN A 41 -6.510 -15.688 -2.753 1.00 0.00 C ATOM 651 CG ASN A 41 -6.304 -16.494 -4.036 1.00 0.00 C ATOM 652 OD1 ASN A 41 -6.875 -17.555 -4.199 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.506 -16.035 -4.962 1.00 0.00 N ATOM 0 H ASN A 41 -5.859 -13.745 -3.953 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.426 -14.960 -3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.569 -15.234 -2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.829 -16.346 -1.945 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.362 -16.566 -5.821 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.026 -15.145 -4.827 1.00 0.00 H new ATOM 660 N ALA A 42 -7.440 -13.210 -0.982 1.00 0.00 N ATOM 661 CA ALA A 42 -7.957 -12.735 0.340 1.00 0.00 C ATOM 662 C ALA A 42 -9.211 -11.866 0.180 1.00 0.00 C ATOM 663 O ALA A 42 -10.207 -12.090 0.839 1.00 0.00 O ATOM 664 CB ALA A 42 -6.812 -11.932 0.965 1.00 0.00 C ATOM 0 H ALA A 42 -6.559 -12.795 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.256 -13.574 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.123 -11.553 1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.941 -12.575 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.557 -11.095 0.314 1.00 0.00 H new ATOM 670 N VAL A 43 -9.188 -10.876 -0.671 1.00 0.00 N ATOM 671 CA VAL A 43 -10.405 -10.023 -0.823 1.00 0.00 C ATOM 672 C VAL A 43 -11.535 -10.820 -1.473 1.00 0.00 C ATOM 673 O VAL A 43 -12.698 -10.549 -1.257 1.00 0.00 O ATOM 674 CB VAL A 43 -9.993 -8.848 -1.709 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.055 -7.930 -0.929 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.287 -9.364 -2.962 1.00 0.00 C ATOM 0 H VAL A 43 -8.394 -10.622 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.773 -9.677 0.143 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.882 -8.291 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.760 -7.091 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.567 -7.555 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.168 -8.487 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.996 -8.521 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.398 -9.926 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.962 -10.014 -3.518 1.00 0.00 H new ATOM 686 N GLU A 44 -11.212 -11.807 -2.261 1.00 0.00 N ATOM 687 CA GLU A 44 -12.288 -12.611 -2.905 1.00 0.00 C ATOM 688 C GLU A 44 -13.206 -13.183 -1.823 1.00 0.00 C ATOM 689 O GLU A 44 -14.408 -13.007 -1.854 1.00 0.00 O ATOM 690 CB GLU A 44 -11.560 -13.732 -3.646 1.00 0.00 C ATOM 691 CG GLU A 44 -11.572 -13.444 -5.148 1.00 0.00 C ATOM 692 CD GLU A 44 -12.068 -14.681 -5.901 1.00 0.00 C ATOM 693 OE1 GLU A 44 -12.082 -15.746 -5.306 1.00 0.00 O ATOM 694 OE2 GLU A 44 -12.424 -14.541 -7.060 1.00 0.00 O ATOM 0 H GLU A 44 -10.258 -12.090 -2.486 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.908 -12.024 -3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.533 -13.811 -3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.043 -14.688 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.218 -12.592 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.571 -13.177 -5.486 1.00 0.00 H new ATOM 701 N THR A 45 -12.643 -13.854 -0.856 1.00 0.00 N ATOM 702 CA THR A 45 -13.474 -14.424 0.243 1.00 0.00 C ATOM 703 C THR A 45 -13.802 -13.333 1.268 1.00 0.00 C ATOM 704 O THR A 45 -14.923 -13.205 1.720 1.00 0.00 O ATOM 705 CB THR A 45 -12.602 -15.507 0.877 1.00 0.00 C ATOM 706 OG1 THR A 45 -11.493 -14.900 1.526 1.00 0.00 O ATOM 707 CG2 THR A 45 -12.100 -16.462 -0.207 1.00 0.00 C ATOM 0 H THR A 45 -11.642 -14.033 -0.779 1.00 0.00 H new ATOM 0 HA THR A 45 -14.422 -14.824 -0.117 1.00 0.00 H new ATOM 0 HB THR A 45 -13.190 -16.066 1.606 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.933 -15.593 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.478 -17.234 0.247 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.951 -16.928 -0.704 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.512 -15.906 -0.938 1.00 0.00 H new ATOM 715 N ALA A 46 -12.824 -12.554 1.640 1.00 0.00 N ATOM 716 CA ALA A 46 -13.056 -11.472 2.643 1.00 0.00 C ATOM 717 C ALA A 46 -14.168 -10.527 2.178 1.00 0.00 C ATOM 718 O ALA A 46 -15.198 -10.411 2.811 1.00 0.00 O ATOM 719 CB ALA A 46 -11.725 -10.728 2.734 1.00 0.00 C ATOM 0 H ALA A 46 -11.868 -12.620 1.291 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.372 -11.871 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.812 -9.914 3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.945 -11.417 3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.468 -10.322 1.756 1.00 0.00 H new ATOM 725 N PHE A 47 -13.968 -9.844 1.082 1.00 0.00 N ATOM 726 CA PHE A 47 -15.022 -8.905 0.597 1.00 0.00 C ATOM 727 C PHE A 47 -16.213 -9.698 0.054 1.00 0.00 C ATOM 728 O PHE A 47 -17.317 -9.198 -0.036 1.00 0.00 O ATOM 729 CB PHE A 47 -14.356 -8.093 -0.513 1.00 0.00 C ATOM 730 CG PHE A 47 -13.532 -6.989 0.102 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.164 -5.876 0.669 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.134 -7.077 0.107 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.400 -4.853 1.241 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.370 -6.054 0.680 1.00 0.00 C ATOM 735 CZ PHE A 47 -12.003 -4.942 1.246 1.00 0.00 C ATOM 0 H PHE A 47 -13.128 -9.894 0.506 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.403 -8.260 1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.723 -8.739 -1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.113 -7.672 -1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.242 -5.807 0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.646 -7.935 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.888 -3.995 1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.292 -6.123 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.413 -4.152 1.687 1.00 0.00 H new ATOM 745 N LYS A 48 -15.993 -10.934 -0.303 1.00 0.00 N ATOM 746 CA LYS A 48 -17.101 -11.782 -0.835 1.00 0.00 C ATOM 747 C LYS A 48 -17.496 -11.313 -2.233 1.00 0.00 C ATOM 748 O LYS A 48 -18.653 -11.085 -2.524 1.00 0.00 O ATOM 749 CB LYS A 48 -18.263 -11.608 0.148 1.00 0.00 C ATOM 750 CG LYS A 48 -18.616 -12.965 0.759 1.00 0.00 C ATOM 751 CD LYS A 48 -20.082 -13.290 0.470 1.00 0.00 C ATOM 752 CE LYS A 48 -20.427 -14.660 1.059 1.00 0.00 C ATOM 753 NZ LYS A 48 -21.883 -14.589 1.369 1.00 0.00 N ATOM 0 H LYS A 48 -15.086 -11.398 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.810 -12.829 -0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.988 -10.903 0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -19.129 -11.191 -0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.972 -13.741 0.344 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.442 -12.947 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.727 -12.524 0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -20.261 -13.289 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.213 -15.460 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.842 -14.863 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -22.195 -15.493 1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -22.056 -13.823 2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -22.415 -14.401 0.495 1.00 0.00 H new ATOM 767 N VAL A 49 -16.535 -11.170 -3.098 1.00 0.00 N ATOM 768 CA VAL A 49 -16.830 -10.721 -4.480 1.00 0.00 C ATOM 769 C VAL A 49 -15.811 -11.328 -5.443 1.00 0.00 C ATOM 770 O VAL A 49 -14.837 -11.930 -5.036 1.00 0.00 O ATOM 771 CB VAL A 49 -16.684 -9.199 -4.437 1.00 0.00 C ATOM 772 CG1 VAL A 49 -15.443 -8.823 -3.632 1.00 0.00 C ATOM 773 CG2 VAL A 49 -16.523 -8.662 -5.852 1.00 0.00 C ATOM 0 H VAL A 49 -15.550 -11.347 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.820 -11.025 -4.820 1.00 0.00 H new ATOM 0 HB VAL A 49 -17.573 -8.772 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -15.343 -7.738 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -15.539 -9.205 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.560 -9.257 -4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.419 -7.577 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -15.634 -9.098 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.400 -8.925 -6.443 1.00 0.00 H new ATOM 783 N LYS A 50 -16.021 -11.164 -6.714 1.00 0.00 N ATOM 784 CA LYS A 50 -15.058 -11.721 -7.703 1.00 0.00 C ATOM 785 C LYS A 50 -13.978 -10.681 -8.007 1.00 0.00 C ATOM 786 O LYS A 50 -14.236 -9.668 -8.625 1.00 0.00 O ATOM 787 CB LYS A 50 -15.890 -12.018 -8.950 1.00 0.00 C ATOM 788 CG LYS A 50 -15.227 -13.144 -9.747 1.00 0.00 C ATOM 789 CD LYS A 50 -14.291 -12.545 -10.798 1.00 0.00 C ATOM 790 CE LYS A 50 -14.889 -12.749 -12.191 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.856 -13.515 -12.943 1.00 0.00 N ATOM 0 H LYS A 50 -16.818 -10.668 -7.114 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.553 -12.616 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.902 -12.306 -8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.975 -11.123 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.668 -13.797 -9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -15.987 -13.758 -10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.144 -11.482 -10.606 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.311 -13.018 -10.739 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.829 -13.298 -12.141 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.102 -11.795 -12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.193 -13.695 -13.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.974 -12.965 -12.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.679 -14.421 -12.464 1.00 0.00 H new ATOM 805 N VAL A 51 -12.770 -10.921 -7.576 1.00 0.00 N ATOM 806 CA VAL A 51 -11.680 -9.939 -7.843 1.00 0.00 C ATOM 807 C VAL A 51 -11.199 -10.080 -9.286 1.00 0.00 C ATOM 808 O VAL A 51 -11.062 -11.172 -9.801 1.00 0.00 O ATOM 809 CB VAL A 51 -10.565 -10.308 -6.866 1.00 0.00 C ATOM 810 CG1 VAL A 51 -9.465 -9.246 -6.922 1.00 0.00 C ATOM 811 CG2 VAL A 51 -11.134 -10.376 -5.446 1.00 0.00 C ATOM 0 H VAL A 51 -12.491 -11.751 -7.053 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.006 -8.907 -7.712 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.149 -11.278 -7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.669 -9.509 -6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.060 -9.195 -7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.881 -8.276 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.339 -10.639 -4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.550 -9.406 -5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.919 -11.131 -5.404 1.00 0.00 H new ATOM 821 N VAL A 52 -10.955 -8.985 -9.949 1.00 0.00 N ATOM 822 CA VAL A 52 -10.498 -9.065 -11.363 1.00 0.00 C ATOM 823 C VAL A 52 -9.032 -8.632 -11.488 1.00 0.00 C ATOM 824 O VAL A 52 -8.318 -9.093 -12.356 1.00 0.00 O ATOM 825 CB VAL A 52 -11.422 -8.116 -12.127 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.169 -6.675 -11.694 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.149 -8.240 -13.620 1.00 0.00 C ATOM 0 H VAL A 52 -11.052 -8.041 -9.574 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.545 -10.081 -11.755 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.457 -8.380 -11.912 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.832 -6.008 -12.244 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.361 -6.577 -10.625 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.133 -6.409 -11.902 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.806 -7.565 -14.167 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.110 -7.979 -13.823 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.335 -9.265 -13.940 1.00 0.00 H new ATOM 837 N LYS A 53 -8.572 -7.759 -10.632 1.00 0.00 N ATOM 838 CA LYS A 53 -7.148 -7.323 -10.724 1.00 0.00 C ATOM 839 C LYS A 53 -6.678 -6.737 -9.384 1.00 0.00 C ATOM 840 O LYS A 53 -7.450 -6.163 -8.641 1.00 0.00 O ATOM 841 CB LYS A 53 -7.127 -6.274 -11.853 1.00 0.00 C ATOM 842 CG LYS A 53 -7.217 -4.850 -11.288 1.00 0.00 C ATOM 843 CD LYS A 53 -5.818 -4.233 -11.233 1.00 0.00 C ATOM 844 CE LYS A 53 -5.541 -3.479 -12.535 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.478 -4.535 -13.585 1.00 0.00 N ATOM 0 H LYS A 53 -9.114 -7.333 -9.880 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.468 -8.147 -10.940 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.211 -6.380 -12.435 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.960 -6.451 -12.534 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.870 -4.240 -11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.657 -4.870 -10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.742 -3.554 -10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.071 -5.013 -11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.329 -2.757 -12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.605 -2.923 -12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.047 -4.143 -14.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.904 -5.332 -13.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.439 -4.869 -13.800 1.00 0.00 H new ATOM 859 N VAL A 54 -5.418 -6.869 -9.077 1.00 0.00 N ATOM 860 CA VAL A 54 -4.898 -6.311 -7.795 1.00 0.00 C ATOM 861 C VAL A 54 -3.605 -5.532 -8.046 1.00 0.00 C ATOM 862 O VAL A 54 -2.607 -6.085 -8.462 1.00 0.00 O ATOM 863 CB VAL A 54 -4.648 -7.530 -6.888 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.409 -7.305 -6.012 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.855 -7.733 -5.974 1.00 0.00 C ATOM 0 H VAL A 54 -4.724 -7.339 -9.658 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.597 -5.614 -7.334 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.491 -8.405 -7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.248 -8.177 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.537 -7.153 -6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.560 -6.425 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.683 -8.595 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.000 -6.844 -5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.745 -7.905 -6.579 1.00 0.00 H new ATOM 875 N ASN A 55 -3.605 -4.261 -7.768 1.00 0.00 N ATOM 876 CA ASN A 55 -2.366 -3.467 -7.965 1.00 0.00 C ATOM 877 C ASN A 55 -1.896 -2.929 -6.616 1.00 0.00 C ATOM 878 O ASN A 55 -2.557 -2.126 -5.994 1.00 0.00 O ATOM 879 CB ASN A 55 -2.761 -2.324 -8.900 1.00 0.00 C ATOM 880 CG ASN A 55 -2.043 -2.490 -10.241 1.00 0.00 C ATOM 881 OD1 ASN A 55 -1.366 -3.475 -10.464 1.00 0.00 O ATOM 882 ND2 ASN A 55 -2.163 -1.563 -11.151 1.00 0.00 N ATOM 0 H ASN A 55 -4.407 -3.739 -7.414 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.550 -4.055 -8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.840 -2.320 -9.051 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.499 -1.366 -8.451 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.689 -1.665 -12.048 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.731 -0.736 -10.965 1.00 0.00 H new ATOM 889 N THR A 56 -0.760 -3.368 -6.158 1.00 0.00 N ATOM 890 CA THR A 56 -0.255 -2.886 -4.841 1.00 0.00 C ATOM 891 C THR A 56 1.092 -2.187 -5.022 1.00 0.00 C ATOM 892 O THR A 56 1.849 -2.495 -5.922 1.00 0.00 O ATOM 893 CB THR A 56 -0.109 -4.132 -3.938 1.00 0.00 C ATOM 894 OG1 THR A 56 1.176 -4.122 -3.334 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.277 -5.428 -4.741 1.00 0.00 C ATOM 0 H THR A 56 -0.158 -4.039 -6.636 1.00 0.00 H new ATOM 0 HA THR A 56 -0.938 -2.165 -4.393 1.00 0.00 H new ATOM 0 HB THR A 56 -0.890 -4.097 -3.178 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.244 -3.359 -2.722 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.168 -6.285 -4.076 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.266 -5.447 -5.199 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.484 -5.475 -5.520 1.00 0.00 H new ATOM 903 N LEU A 57 1.392 -1.239 -4.178 1.00 0.00 N ATOM 904 CA LEU A 57 2.685 -0.509 -4.305 1.00 0.00 C ATOM 905 C LEU A 57 3.281 -0.244 -2.920 1.00 0.00 C ATOM 906 O LEU A 57 2.641 -0.450 -1.908 1.00 0.00 O ATOM 907 CB LEU A 57 2.320 0.807 -4.991 1.00 0.00 C ATOM 908 CG LEU A 57 1.467 1.651 -4.044 1.00 0.00 C ATOM 909 CD1 LEU A 57 2.353 2.672 -3.329 1.00 0.00 C ATOM 910 CD2 LEU A 57 0.390 2.387 -4.847 1.00 0.00 C ATOM 0 H LEU A 57 0.798 -0.938 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 57 3.429 -1.074 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.224 1.350 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.773 0.610 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 57 0.994 1.002 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.744 3.273 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.121 2.150 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.827 3.321 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.219 2.989 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.865 3.035 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.243 1.661 -5.357 1.00 0.00 H new ATOM 922 N HIS A 58 4.502 0.214 -2.867 1.00 0.00 N ATOM 923 CA HIS A 58 5.136 0.494 -1.546 1.00 0.00 C ATOM 924 C HIS A 58 4.872 1.940 -1.126 1.00 0.00 C ATOM 925 O HIS A 58 5.234 2.875 -1.813 1.00 0.00 O ATOM 926 CB HIS A 58 6.631 0.263 -1.765 1.00 0.00 C ATOM 927 CG HIS A 58 7.177 -0.582 -0.647 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.471 -1.081 -0.661 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.618 -1.027 0.527 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.646 -1.788 0.470 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.549 -1.787 1.230 1.00 0.00 N ATOM 0 H HIS A 58 5.088 0.406 -3.680 1.00 0.00 H new ATOM 0 HA HIS A 58 4.737 -0.142 -0.756 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.797 -0.230 -2.723 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.156 1.218 -1.803 1.00 0.00 H new ATOM 0 HD1 HIS A 58 9.164 -0.938 -1.396 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.610 -0.819 0.854 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.563 -2.295 0.731 1.00 0.00 H new ATOM 939 N VAL A 59 4.245 2.128 0.000 1.00 0.00 N ATOM 940 CA VAL A 59 3.956 3.513 0.479 1.00 0.00 C ATOM 941 C VAL A 59 4.675 3.767 1.804 1.00 0.00 C ATOM 942 O VAL A 59 4.597 2.977 2.724 1.00 0.00 O ATOM 943 CB VAL A 59 2.433 3.603 0.681 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.823 4.453 -0.434 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.788 2.209 0.659 1.00 0.00 C ATOM 0 H VAL A 59 3.918 1.382 0.613 1.00 0.00 H new ATOM 0 HA VAL A 59 4.301 4.257 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 59 2.243 4.059 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.744 4.518 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.254 5.454 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.036 3.994 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.712 2.304 0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.984 1.732 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.210 1.600 1.459 1.00 0.00 H new ATOM 955 N ARG A 60 5.374 4.862 1.910 1.00 0.00 N ATOM 956 CA ARG A 60 6.098 5.163 3.178 1.00 0.00 C ATOM 957 C ARG A 60 5.521 6.424 3.828 1.00 0.00 C ATOM 958 O ARG A 60 4.675 7.092 3.267 1.00 0.00 O ATOM 959 CB ARG A 60 7.555 5.390 2.766 1.00 0.00 C ATOM 960 CG ARG A 60 7.967 4.349 1.718 1.00 0.00 C ATOM 961 CD ARG A 60 7.630 2.944 2.224 1.00 0.00 C ATOM 962 NE ARG A 60 7.514 2.114 0.994 1.00 0.00 N ATOM 963 CZ ARG A 60 8.501 2.067 0.143 1.00 0.00 C ATOM 964 NH1 ARG A 60 9.456 1.190 0.298 1.00 0.00 N ATOM 965 NH2 ARG A 60 8.535 2.897 -0.863 1.00 0.00 N ATOM 0 H ARG A 60 5.476 5.562 1.175 1.00 0.00 H new ATOM 0 HA ARG A 60 6.005 4.357 3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.676 6.395 2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.205 5.318 3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.450 4.541 0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.035 4.426 1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.409 2.564 2.885 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.700 2.941 2.792 1.00 0.00 H new ATOM 0 HE ARG A 60 6.662 1.582 0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.430 0.541 1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.228 1.153 -0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.790 3.583 -0.984 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.307 2.860 -1.529 1.00 0.00 H new ATOM 979 N GLY A 61 5.972 6.754 5.007 1.00 0.00 N ATOM 980 CA GLY A 61 5.449 7.970 5.692 1.00 0.00 C ATOM 981 C GLY A 61 5.391 9.131 4.699 1.00 0.00 C ATOM 982 O GLY A 61 6.365 9.456 4.050 1.00 0.00 O ATOM 0 H GLY A 61 6.680 6.234 5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.456 7.774 6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.090 8.230 6.534 1.00 0.00 H new ATOM 986 N LYS A 62 4.256 9.761 4.575 1.00 0.00 N ATOM 987 CA LYS A 62 4.135 10.903 3.623 1.00 0.00 C ATOM 988 C LYS A 62 4.246 12.233 4.373 1.00 0.00 C ATOM 989 O LYS A 62 5.141 13.020 4.134 1.00 0.00 O ATOM 990 CB LYS A 62 2.749 10.753 2.997 1.00 0.00 C ATOM 991 CG LYS A 62 2.885 10.201 1.576 1.00 0.00 C ATOM 992 CD LYS A 62 3.046 11.360 0.591 1.00 0.00 C ATOM 993 CE LYS A 62 4.208 12.250 1.037 1.00 0.00 C ATOM 994 NZ LYS A 62 4.273 13.336 0.020 1.00 0.00 N ATOM 0 H LYS A 62 3.406 9.535 5.092 1.00 0.00 H new ATOM 0 HA LYS A 62 4.924 10.898 2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.137 10.084 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.242 11.718 2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.746 9.535 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.006 9.610 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.232 10.976 -0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.125 11.942 0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.036 12.653 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.142 11.690 1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.047 13.988 0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.444 12.923 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.373 13.857 0.010 1.00 0.00 H new ATOM 1008 N LYS A 63 3.342 12.491 5.279 1.00 0.00 N ATOM 1009 CA LYS A 63 3.398 13.771 6.043 1.00 0.00 C ATOM 1010 C LYS A 63 4.633 13.794 6.948 1.00 0.00 C ATOM 1011 O LYS A 63 4.989 12.802 7.552 1.00 0.00 O ATOM 1012 CB LYS A 63 2.119 13.789 6.881 1.00 0.00 C ATOM 1013 CG LYS A 63 1.488 15.181 6.822 1.00 0.00 C ATOM 1014 CD LYS A 63 0.480 15.335 7.964 1.00 0.00 C ATOM 1015 CE LYS A 63 1.017 16.337 8.988 1.00 0.00 C ATOM 1016 NZ LYS A 63 1.974 15.559 9.824 1.00 0.00 N ATOM 0 H LYS A 63 2.569 11.872 5.523 1.00 0.00 H new ATOM 0 HA LYS A 63 3.468 14.639 5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.417 13.044 6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.345 13.524 7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.261 15.946 6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.991 15.326 5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.479 15.677 7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.304 14.371 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.512 17.175 8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.211 16.753 9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.359 16.171 10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.481 14.752 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.752 15.210 9.228 1.00 0.00 H new ATOM 1030 N LYS A 64 5.288 14.919 7.045 1.00 0.00 N ATOM 1031 CA LYS A 64 6.500 15.003 7.911 1.00 0.00 C ATOM 1032 C LYS A 64 7.531 13.956 7.480 1.00 0.00 C ATOM 1033 O LYS A 64 7.692 12.932 8.112 1.00 0.00 O ATOM 1034 CB LYS A 64 5.996 14.709 9.324 1.00 0.00 C ATOM 1035 CG LYS A 64 6.818 15.509 10.337 1.00 0.00 C ATOM 1036 CD LYS A 64 6.125 15.473 11.700 1.00 0.00 C ATOM 1037 CE LYS A 64 6.038 16.892 12.267 1.00 0.00 C ATOM 1038 NZ LYS A 64 7.391 17.164 12.826 1.00 0.00 N ATOM 0 H LYS A 64 5.037 15.782 6.563 1.00 0.00 H new ATOM 0 HA LYS A 64 6.989 15.975 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.941 14.972 9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.077 13.643 9.536 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.822 15.092 10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.927 16.540 10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.126 15.048 11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.679 14.830 12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.779 17.612 11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.270 16.963 13.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.402 18.107 13.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.621 16.446 13.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.096 17.129 12.062 1.00 0.00 H new ATOM 1052 N ARG A 65 8.228 14.204 6.405 1.00 0.00 N ATOM 1053 CA ARG A 65 9.246 13.222 5.934 1.00 0.00 C ATOM 1054 C ARG A 65 10.657 13.725 6.251 1.00 0.00 C ATOM 1055 O ARG A 65 11.262 13.329 7.227 1.00 0.00 O ATOM 1056 CB ARG A 65 9.038 13.129 4.422 1.00 0.00 C ATOM 1057 CG ARG A 65 8.221 11.878 4.093 1.00 0.00 C ATOM 1058 CD ARG A 65 9.114 10.856 3.384 1.00 0.00 C ATOM 1059 NE ARG A 65 8.639 10.845 1.973 1.00 0.00 N ATOM 1060 CZ ARG A 65 9.482 11.060 0.999 1.00 0.00 C ATOM 1061 NH1 ARG A 65 9.866 12.276 0.725 1.00 0.00 N ATOM 1062 NH2 ARG A 65 9.940 10.058 0.300 1.00 0.00 N ATOM 0 H ARG A 65 8.137 15.043 5.833 1.00 0.00 H new ATOM 0 HA ARG A 65 9.139 12.253 6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.522 14.018 4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.001 13.091 3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.812 11.447 5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.375 12.140 3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.165 11.140 3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.024 9.870 3.839 1.00 0.00 H new ATOM 0 HE ARG A 65 7.656 10.670 1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.508 13.059 1.272 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.524 12.444 -0.036 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.640 9.107 0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.598 10.226 -0.461 1.00 0.00 H new ATOM 1076 N LEU A 66 11.187 14.593 5.433 1.00 0.00 N ATOM 1077 CA LEU A 66 12.560 15.115 5.690 1.00 0.00 C ATOM 1078 C LEU A 66 13.486 13.967 6.097 1.00 0.00 C ATOM 1079 O LEU A 66 13.864 13.837 7.244 1.00 0.00 O ATOM 1080 CB LEU A 66 12.396 16.108 6.842 1.00 0.00 C ATOM 1081 CG LEU A 66 12.058 17.489 6.280 1.00 0.00 C ATOM 1082 CD1 LEU A 66 13.198 17.966 5.377 1.00 0.00 C ATOM 1083 CD2 LEU A 66 10.767 17.403 5.464 1.00 0.00 C ATOM 0 H LEU A 66 10.730 14.963 4.599 1.00 0.00 H new ATOM 0 HA LEU A 66 12.999 15.584 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.606 15.774 7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.314 16.157 7.428 1.00 0.00 H new ATOM 0 HG LEU A 66 11.925 18.193 7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.957 18.951 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.120 18.025 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.330 17.262 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.524 18.387 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.902 16.699 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.954 17.062 6.105 1.00 0.00 H new ATOM 1095 N GLY A 67 13.843 13.124 5.166 1.00 0.00 N ATOM 1096 CA GLY A 67 14.730 11.977 5.491 1.00 0.00 C ATOM 1097 C GLY A 67 16.121 12.476 5.891 1.00 0.00 C ATOM 1098 O GLY A 67 17.115 12.104 5.299 1.00 0.00 O ATOM 0 H GLY A 67 13.555 13.183 4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.298 11.394 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.808 11.314 4.630 1.00 0.00 H new ATOM 1102 N ARG A 68 16.207 13.308 6.894 1.00 0.00 N ATOM 1103 CA ARG A 68 17.540 13.815 7.326 1.00 0.00 C ATOM 1104 C ARG A 68 17.632 13.811 8.844 1.00 0.00 C ATOM 1105 O ARG A 68 18.417 14.514 9.450 1.00 0.00 O ATOM 1106 CB ARG A 68 17.616 15.227 6.758 1.00 0.00 C ATOM 1107 CG ARG A 68 16.964 16.231 7.717 1.00 0.00 C ATOM 1108 CD ARG A 68 18.052 16.985 8.485 1.00 0.00 C ATOM 1109 NE ARG A 68 17.597 18.402 8.505 1.00 0.00 N ATOM 1110 CZ ARG A 68 17.899 19.199 7.517 1.00 0.00 C ATOM 1111 NH1 ARG A 68 18.101 18.711 6.323 1.00 0.00 N ATOM 1112 NH2 ARG A 68 17.999 20.483 7.723 1.00 0.00 N ATOM 0 H ARG A 68 15.414 13.657 7.431 1.00 0.00 H new ATOM 0 HA ARG A 68 18.367 13.199 6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 68 18.657 15.501 6.589 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.116 15.263 5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 68 16.345 16.933 7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.307 15.710 8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.166 16.593 9.496 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.021 16.888 7.994 1.00 0.00 H new ATOM 0 HE ARG A 68 17.049 18.750 9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.023 17.707 6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.337 19.334 5.551 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.841 20.864 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.235 21.107 6.951 1.00 0.00 H new ATOM 1126 N TYR A 69 16.821 13.016 9.439 1.00 0.00 N ATOM 1127 CA TYR A 69 16.795 12.912 10.921 1.00 0.00 C ATOM 1128 C TYR A 69 15.952 11.703 11.343 1.00 0.00 C ATOM 1129 O TYR A 69 14.978 11.829 12.058 1.00 0.00 O ATOM 1130 CB TYR A 69 16.138 14.212 11.371 1.00 0.00 C ATOM 1131 CG TYR A 69 15.770 14.125 12.833 1.00 0.00 C ATOM 1132 CD1 TYR A 69 16.706 13.658 13.764 1.00 0.00 C ATOM 1133 CD2 TYR A 69 14.493 14.511 13.257 1.00 0.00 C ATOM 1134 CE1 TYR A 69 16.364 13.576 15.120 1.00 0.00 C ATOM 1135 CE2 TYR A 69 14.152 14.430 14.613 1.00 0.00 C ATOM 1136 CZ TYR A 69 15.086 13.962 15.543 1.00 0.00 C ATOM 1137 OH TYR A 69 14.749 13.882 16.879 1.00 0.00 O ATOM 0 H TYR A 69 16.153 12.413 8.959 1.00 0.00 H new ATOM 0 HA TYR A 69 17.784 12.774 11.359 1.00 0.00 H new ATOM 0 HB2 TYR A 69 16.818 15.048 11.208 1.00 0.00 H new ATOM 0 HB3 TYR A 69 15.247 14.404 10.774 1.00 0.00 H new ATOM 0 HD1 TYR A 69 17.691 13.361 13.437 1.00 0.00 H new ATOM 0 HD2 TYR A 69 13.771 14.871 12.539 1.00 0.00 H new ATOM 0 HE1 TYR A 69 17.085 13.215 15.839 1.00 0.00 H new ATOM 0 HE2 TYR A 69 13.167 14.729 14.941 1.00 0.00 H new ATOM 0 HH TYR A 69 13.827 14.189 17.003 1.00 0.00 H new ATOM 1147 N LEU A 70 16.316 10.531 10.898 1.00 0.00 N ATOM 1148 CA LEU A 70 15.531 9.318 11.268 1.00 0.00 C ATOM 1149 C LEU A 70 14.039 9.614 11.169 1.00 0.00 C ATOM 1150 O LEU A 70 13.252 9.225 12.008 1.00 0.00 O ATOM 1151 CB LEU A 70 15.921 9.025 12.707 1.00 0.00 C ATOM 1152 CG LEU A 70 16.198 7.530 12.873 1.00 0.00 C ATOM 1153 CD1 LEU A 70 17.709 7.289 12.892 1.00 0.00 C ATOM 1154 CD2 LEU A 70 15.589 7.043 14.190 1.00 0.00 C ATOM 0 H LEU A 70 17.121 10.361 10.295 1.00 0.00 H new ATOM 0 HA LEU A 70 15.734 8.473 10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 70 16.806 9.601 12.978 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.121 9.333 13.380 1.00 0.00 H new ATOM 0 HG LEU A 70 15.753 6.984 12.041 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.906 6.224 13.010 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.145 7.637 11.955 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.154 7.835 13.724 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.786 5.978 14.310 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.034 7.590 15.021 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.513 7.214 14.178 1.00 0.00 H new ATOM 1166 N GLY A 71 13.659 10.307 10.146 1.00 0.00 N ATOM 1167 CA GLY A 71 12.222 10.657 9.956 1.00 0.00 C ATOM 1168 C GLY A 71 11.368 9.391 10.025 1.00 0.00 C ATOM 1169 O GLY A 71 11.838 8.330 10.387 1.00 0.00 O ATOM 0 H GLY A 71 14.285 10.654 9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.905 11.363 10.724 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.082 11.149 8.994 1.00 0.00 H new ATOM 1173 N LYS A 72 10.113 9.493 9.679 1.00 0.00 N ATOM 1174 CA LYS A 72 9.227 8.295 9.725 1.00 0.00 C ATOM 1175 C LYS A 72 9.033 7.725 8.318 1.00 0.00 C ATOM 1176 O LYS A 72 8.376 8.317 7.484 1.00 0.00 O ATOM 1177 CB LYS A 72 7.898 8.808 10.283 1.00 0.00 C ATOM 1178 CG LYS A 72 7.914 8.713 11.810 1.00 0.00 C ATOM 1179 CD LYS A 72 6.492 8.470 12.322 1.00 0.00 C ATOM 1180 CE LYS A 72 6.293 6.977 12.590 1.00 0.00 C ATOM 1181 NZ LYS A 72 5.016 6.629 11.906 1.00 0.00 N ATOM 0 H LYS A 72 9.663 10.354 9.367 1.00 0.00 H new ATOM 0 HA LYS A 72 9.646 7.495 10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.736 9.841 9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.072 8.222 9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.570 7.902 12.128 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.314 9.632 12.238 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.321 9.040 13.235 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.765 8.818 11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.124 6.391 12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.237 6.772 13.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.812 5.619 12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.242 7.197 12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.102 6.828 10.889 1.00 0.00 H new ATOM 1195 N ARG A 73 9.598 6.581 8.048 1.00 0.00 N ATOM 1196 CA ARG A 73 9.442 5.975 6.694 1.00 0.00 C ATOM 1197 C ARG A 73 9.693 4.466 6.758 1.00 0.00 C ATOM 1198 O ARG A 73 10.758 3.997 6.411 1.00 0.00 O ATOM 1199 CB ARG A 73 10.501 6.657 5.828 1.00 0.00 C ATOM 1200 CG ARG A 73 10.376 6.158 4.389 1.00 0.00 C ATOM 1201 CD ARG A 73 11.768 6.046 3.765 1.00 0.00 C ATOM 1202 NE ARG A 73 12.113 7.431 3.342 1.00 0.00 N ATOM 1203 CZ ARG A 73 12.927 8.151 4.064 1.00 0.00 C ATOM 1204 NH1 ARG A 73 14.145 7.736 4.283 1.00 0.00 N ATOM 1205 NH2 ARG A 73 12.524 9.285 4.568 1.00 0.00 N ATOM 0 H ARG A 73 10.160 6.040 8.705 1.00 0.00 H new ATOM 0 HA ARG A 73 8.438 6.114 6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.373 7.739 5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.497 6.441 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.879 5.188 4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.759 6.843 3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.492 5.660 4.483 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.766 5.363 2.916 1.00 0.00 H new ATOM 0 HE ARG A 73 11.713 7.817 2.487 1.00 0.00 H new ATOM 0 HH11 ARG A 73 14.460 6.849 3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.782 8.299 4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.572 9.609 4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.161 9.847 5.132 1.00 0.00 H new ATOM 1219 N PRO A 74 8.693 3.760 7.203 1.00 0.00 N ATOM 1220 CA PRO A 74 8.791 2.288 7.320 1.00 0.00 C ATOM 1221 C PRO A 74 8.622 1.633 5.950 1.00 0.00 C ATOM 1222 O PRO A 74 8.679 2.285 4.926 1.00 0.00 O ATOM 1223 CB PRO A 74 7.630 1.923 8.235 1.00 0.00 C ATOM 1224 CG PRO A 74 6.634 3.027 8.065 1.00 0.00 C ATOM 1225 CD PRO A 74 7.388 4.263 7.637 1.00 0.00 C ATOM 0 HA PRO A 74 9.754 1.953 7.704 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.200 0.959 7.961 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.956 1.843 9.272 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.887 2.757 7.318 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.101 3.208 8.998 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.873 4.783 6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.488 4.972 8.459 1.00 0.00 H new ATOM 1233 N ASP A 75 8.404 0.351 5.926 1.00 0.00 N ATOM 1234 CA ASP A 75 8.217 -0.352 4.639 1.00 0.00 C ATOM 1235 C ASP A 75 6.792 -0.893 4.559 1.00 0.00 C ATOM 1236 O ASP A 75 6.510 -2.008 4.951 1.00 0.00 O ATOM 1237 CB ASP A 75 9.229 -1.494 4.675 1.00 0.00 C ATOM 1238 CG ASP A 75 8.882 -2.451 5.818 1.00 0.00 C ATOM 1239 OD1 ASP A 75 8.897 -2.014 6.956 1.00 0.00 O ATOM 1240 OD2 ASP A 75 8.608 -3.605 5.534 1.00 0.00 O ATOM 0 H ASP A 75 8.348 -0.242 6.754 1.00 0.00 H new ATOM 0 HA ASP A 75 8.365 0.293 3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.223 -2.029 3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.235 -1.098 4.812 1.00 0.00 H new ATOM 1245 N ARG A 76 5.895 -0.108 4.051 1.00 0.00 N ATOM 1246 CA ARG A 76 4.481 -0.560 3.936 1.00 0.00 C ATOM 1247 C ARG A 76 3.994 -0.406 2.493 1.00 0.00 C ATOM 1248 O ARG A 76 4.329 0.543 1.816 1.00 0.00 O ATOM 1249 CB ARG A 76 3.692 0.356 4.870 1.00 0.00 C ATOM 1250 CG ARG A 76 2.261 -0.166 5.005 1.00 0.00 C ATOM 1251 CD ARG A 76 2.295 -1.626 5.464 1.00 0.00 C ATOM 1252 NE ARG A 76 1.408 -1.672 6.659 1.00 0.00 N ATOM 1253 CZ ARG A 76 1.926 -1.773 7.853 1.00 0.00 C ATOM 1254 NH1 ARG A 76 3.064 -1.192 8.121 1.00 0.00 N ATOM 1255 NH2 ARG A 76 1.308 -2.454 8.778 1.00 0.00 N ATOM 0 H ARG A 76 6.077 0.835 3.707 1.00 0.00 H new ATOM 0 HA ARG A 76 4.361 -1.610 4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.170 0.395 5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.684 1.373 4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.707 0.440 5.722 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.741 -0.085 4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.938 -2.295 4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.309 -1.939 5.712 1.00 0.00 H new ATOM 0 HE ARG A 76 0.396 -1.625 6.545 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.548 -0.660 7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.469 -1.270 9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.419 -2.908 8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.714 -2.532 9.711 1.00 0.00 H new ATOM 1269 N LYS A 77 3.207 -1.333 2.019 1.00 0.00 N ATOM 1270 CA LYS A 77 2.701 -1.238 0.619 1.00 0.00 C ATOM 1271 C LYS A 77 1.170 -1.260 0.605 1.00 0.00 C ATOM 1272 O LYS A 77 0.546 -1.971 1.366 1.00 0.00 O ATOM 1273 CB LYS A 77 3.268 -2.468 -0.096 1.00 0.00 C ATOM 1274 CG LYS A 77 2.503 -3.724 0.334 1.00 0.00 C ATOM 1275 CD LYS A 77 2.853 -4.880 -0.607 1.00 0.00 C ATOM 1276 CE LYS A 77 1.571 -5.570 -1.072 1.00 0.00 C ATOM 1277 NZ LYS A 77 1.991 -6.410 -2.229 1.00 0.00 N ATOM 0 H LYS A 77 2.892 -2.152 2.540 1.00 0.00 H new ATOM 0 HA LYS A 77 3.006 -0.312 0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.192 -2.338 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.327 -2.579 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.760 -3.986 1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.430 -3.535 0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.409 -4.506 -1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.498 -5.595 -0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.138 -6.178 -0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.814 -4.843 -1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.449 -7.297 -2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.812 -5.895 -3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.006 -6.624 -2.152 1.00 0.00 H new ATOM 1291 N LYS A 78 0.558 -0.491 -0.256 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.931 -0.484 -0.309 1.00 0.00 C ATOM 1293 C LYS A 78 -1.409 -1.344 -1.482 1.00 0.00 C ATOM 1294 O LYS A 78 -0.729 -1.467 -2.480 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.323 0.982 -0.513 1.00 0.00 C ATOM 1296 CG LYS A 78 -0.721 1.497 -1.821 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.420 2.796 -2.232 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.520 3.732 -1.025 1.00 0.00 C ATOM 1299 NZ LYS A 78 -1.115 5.070 -1.540 1.00 0.00 N ATOM 0 H LYS A 78 1.022 0.128 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.382 -0.893 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.408 1.079 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.968 1.584 0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.348 1.671 -1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.834 0.748 -2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.865 3.281 -3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.415 2.578 -2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.534 3.753 -0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.865 3.405 -0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.978 5.722 -0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.226 4.982 -2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.858 5.441 -2.166 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.558 -1.961 -1.368 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.041 -2.830 -2.485 1.00 0.00 C ATOM 1315 C ALA A 79 -4.333 -2.321 -3.104 1.00 0.00 C ATOM 1316 O ALA A 79 -5.342 -2.183 -2.446 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.304 -4.187 -1.860 1.00 0.00 C ATOM 0 H ALA A 79 -3.177 -1.902 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.298 -2.853 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.662 -4.876 -2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.381 -4.573 -1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.058 -4.088 -1.079 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.314 -2.095 -4.382 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.538 -1.642 -5.080 1.00 0.00 C ATOM 1325 C ILE A 80 -6.146 -2.832 -5.810 1.00 0.00 C ATOM 1326 O ILE A 80 -5.585 -3.349 -6.753 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.069 -0.583 -6.069 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.723 0.698 -5.312 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.188 -0.294 -7.067 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.606 0.424 -4.306 1.00 0.00 C ATOM 0 H ILE A 80 -3.494 -2.206 -4.978 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.293 -1.239 -4.405 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.188 -0.943 -6.601 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.410 1.472 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.606 1.074 -4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.856 0.464 -7.777 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.441 -1.208 -7.604 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.067 0.069 -6.534 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.365 1.342 -3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.934 -0.335 -3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.721 0.069 -4.833 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.276 -3.286 -5.369 1.00 0.00 N ATOM 1343 CA VAL A 81 -7.901 -4.468 -6.027 1.00 0.00 C ATOM 1344 C VAL A 81 -9.141 -4.059 -6.813 1.00 0.00 C ATOM 1345 O VAL A 81 -9.984 -3.330 -6.330 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.273 -5.399 -4.876 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.994 -6.631 -5.426 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -6.999 -5.835 -4.149 1.00 0.00 C ATOM 0 H VAL A 81 -7.798 -2.896 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.230 -4.943 -6.742 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.931 -4.877 -4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.259 -7.295 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.899 -6.320 -5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.338 -7.157 -6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.259 -6.500 -3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.344 -6.358 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.485 -4.957 -3.757 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.268 -4.536 -8.020 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.460 -4.186 -8.824 1.00 0.00 C ATOM 1360 C GLN A 82 -11.418 -5.356 -8.835 1.00 0.00 C ATOM 1361 O GLN A 82 -11.023 -6.498 -8.712 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.946 -3.938 -10.235 1.00 0.00 C ATOM 1363 CG GLN A 82 -10.812 -2.880 -10.911 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.834 -3.543 -11.834 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -11.481 -4.328 -12.691 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -13.098 -3.251 -11.694 1.00 0.00 N ATOM 0 H GLN A 82 -8.597 -5.151 -8.479 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.983 -3.317 -8.423 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.908 -3.608 -10.203 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.968 -4.864 -10.810 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.326 -2.284 -10.157 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.184 -2.197 -11.483 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.392 -2.592 -10.974 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.792 -3.682 -12.305 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.669 -5.097 -9.007 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.624 -6.216 -9.061 1.00 0.00 C ATOM 1377 C VAL A 83 -14.125 -6.350 -10.486 1.00 0.00 C ATOM 1378 O VAL A 83 -14.095 -5.412 -11.257 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.781 -5.866 -8.135 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.255 -5.353 -6.793 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.637 -4.793 -8.804 1.00 0.00 C ATOM 0 H VAL A 83 -13.071 -4.165 -9.112 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.164 -7.155 -8.754 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.380 -6.757 -7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.095 -5.107 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.645 -6.124 -6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.650 -4.461 -6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.470 -4.533 -8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.030 -3.907 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.023 -5.173 -9.750 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.592 -7.490 -10.846 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.101 -7.655 -12.224 1.00 0.00 C ATOM 1393 C ALA A 84 -16.411 -6.888 -12.392 1.00 0.00 C ATOM 1394 O ALA A 84 -16.893 -6.265 -11.467 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.334 -9.142 -12.361 1.00 0.00 C ATOM 0 H ALA A 84 -14.647 -8.318 -10.253 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.413 -7.273 -12.978 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -15.715 -9.360 -13.359 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.395 -9.673 -12.207 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.061 -9.467 -11.616 1.00 0.00 H new ATOM 1401 N PRO A 85 -16.942 -6.969 -13.573 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.215 -6.284 -13.888 1.00 0.00 C ATOM 1403 C PRO A 85 -19.388 -7.008 -13.225 1.00 0.00 C ATOM 1404 O PRO A 85 -19.461 -8.222 -13.220 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.304 -6.376 -15.407 1.00 0.00 C ATOM 1406 CG PRO A 85 -17.475 -7.554 -15.775 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.407 -7.704 -14.719 1.00 0.00 C ATOM 0 HA PRO A 85 -18.251 -5.256 -13.527 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.336 -6.503 -15.734 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.929 -5.468 -15.879 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.089 -8.453 -15.830 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.025 -7.415 -16.758 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.230 -8.752 -14.475 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.455 -7.289 -15.051 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.305 -6.271 -12.668 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.476 -6.909 -12.003 1.00 0.00 C ATOM 1417 C GLY A 86 -21.344 -6.781 -10.482 1.00 0.00 C ATOM 1418 O GLY A 86 -22.318 -6.595 -9.781 1.00 0.00 O ATOM 0 H GLY A 86 -20.296 -5.251 -12.644 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.399 -6.435 -12.338 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.537 -7.960 -12.285 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.148 -6.881 -9.967 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.964 -6.766 -8.487 1.00 0.00 C ATOM 1424 C GLN A 87 -19.342 -5.416 -8.125 1.00 0.00 C ATOM 1425 O GLN A 87 -19.085 -4.588 -8.976 1.00 0.00 O ATOM 1426 CB GLN A 87 -19.019 -7.907 -8.097 1.00 0.00 C ATOM 1427 CG GLN A 87 -17.842 -7.968 -9.073 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.056 -9.119 -10.058 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -17.109 -9.670 -10.582 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -19.271 -9.512 -10.333 1.00 0.00 N ATOM 0 H GLN A 87 -19.293 -7.036 -10.502 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.916 -6.830 -7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.653 -7.756 -7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.557 -8.855 -8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.754 -7.025 -9.613 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.910 -8.111 -8.527 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.068 -9.051 -9.894 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -19.423 -10.280 -10.987 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.104 -5.189 -6.861 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.500 -3.895 -6.432 1.00 0.00 C ATOM 1441 C LYS A 88 -18.320 -3.878 -4.911 1.00 0.00 C ATOM 1442 O LYS A 88 -19.268 -3.712 -4.169 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.504 -2.826 -6.868 1.00 0.00 C ATOM 1444 CG LYS A 88 -20.883 -3.155 -6.293 1.00 0.00 C ATOM 1445 CD LYS A 88 -21.966 -2.503 -7.157 1.00 0.00 C ATOM 1446 CE LYS A 88 -22.326 -3.436 -8.315 1.00 0.00 C ATOM 1447 NZ LYS A 88 -23.658 -2.965 -8.789 1.00 0.00 N ATOM 0 H LYS A 88 -19.302 -5.845 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.516 -3.730 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.179 -1.845 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.553 -2.781 -7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.028 -4.235 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -20.956 -2.795 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -22.851 -2.296 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -21.612 -1.547 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -21.583 -3.383 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -22.368 -4.475 -7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -23.973 -3.557 -9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.347 -3.033 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -23.585 -1.976 -9.101 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.113 -4.052 -4.443 1.00 0.00 N ATOM 1462 CA ILE A 89 -16.876 -4.045 -2.969 1.00 0.00 C ATOM 1463 C ILE A 89 -17.432 -2.755 -2.358 1.00 0.00 C ATOM 1464 O ILE A 89 -16.734 -1.772 -2.204 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.356 -4.118 -2.811 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.846 -5.432 -3.413 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -14.990 -4.066 -1.327 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.322 -5.498 -3.285 1.00 0.00 C ATOM 0 H ILE A 89 -16.282 -4.198 -5.016 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.370 -4.873 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 89 -14.898 -3.274 -3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.301 -6.279 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.136 -5.500 -4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.907 -4.118 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.354 -3.134 -0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.448 -4.909 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.961 -6.433 -3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.875 -4.658 -3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.043 -5.450 -2.232 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.692 -2.755 -2.019 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.323 -1.539 -1.428 1.00 0.00 C ATOM 1482 C GLU A 90 -18.817 -1.298 -0.003 1.00 0.00 C ATOM 1483 O GLU A 90 -19.050 -0.257 0.579 1.00 0.00 O ATOM 1484 CB GLU A 90 -20.823 -1.834 -1.424 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.104 -3.051 -0.540 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.510 -2.939 0.053 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -22.642 -2.337 1.105 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -23.431 -3.456 -0.557 1.00 0.00 O ATOM 0 H GLU A 90 -19.318 -3.553 -2.127 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.082 -0.640 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.373 -0.969 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.170 -2.022 -2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -21.017 -3.966 -1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.365 -3.112 0.259 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.146 -2.253 0.574 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.654 -2.069 1.969 1.00 0.00 C ATOM 1497 C ALA A 91 -16.841 -0.774 2.087 1.00 0.00 C ATOM 1498 O ALA A 91 -16.773 -0.173 3.140 1.00 0.00 O ATOM 1499 CB ALA A 91 -16.765 -3.283 2.236 1.00 0.00 C ATOM 0 H ALA A 91 -17.917 -3.149 0.144 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.472 -1.992 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.362 -3.223 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.354 -4.195 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.945 -3.298 1.518 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.231 -0.332 1.020 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.435 0.934 1.098 1.00 0.00 C ATOM 1507 C LEU A 92 -16.181 2.055 0.381 1.00 0.00 C ATOM 1508 O LEU A 92 -15.975 3.222 0.655 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.099 0.664 0.389 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.800 -0.833 0.352 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.378 -1.056 -0.158 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.929 -1.413 1.763 1.00 0.00 C ATOM 0 H LEU A 92 -16.247 -0.785 0.106 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.276 1.235 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.135 1.058 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.295 1.188 0.906 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.508 -1.328 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.164 -2.125 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.282 -0.642 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.671 -0.561 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.716 -2.482 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.220 -0.917 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.943 -1.254 2.131 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.045 1.718 -0.536 1.00 0.00 N ATOM 1525 CA GLU A 93 -17.791 2.780 -1.259 1.00 0.00 C ATOM 1526 C GLU A 93 -18.722 3.505 -0.283 1.00 0.00 C ATOM 1527 O GLU A 93 -19.011 4.676 -0.435 1.00 0.00 O ATOM 1528 CB GLU A 93 -18.578 2.054 -2.362 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.900 1.513 -1.807 1.00 0.00 C ATOM 1530 CD GLU A 93 -20.937 2.637 -1.762 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -20.879 3.504 -2.618 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -21.772 2.610 -0.872 1.00 0.00 O ATOM 0 H GLU A 93 -17.264 0.761 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.136 3.537 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.776 2.738 -3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -17.982 1.234 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.261 0.696 -2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.747 1.106 -0.808 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.182 2.815 0.725 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.082 3.455 1.724 1.00 0.00 C ATOM 1541 C GLY A 94 -19.239 3.999 2.877 1.00 0.00 C ATOM 1542 O GLY A 94 -19.646 4.895 3.591 1.00 0.00 O ATOM 0 H GLY A 94 -18.972 1.832 0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.648 4.262 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.807 2.731 2.096 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.061 3.466 3.060 1.00 0.00 N ATOM 1547 CA LEU A 95 -17.181 3.953 4.162 1.00 0.00 C ATOM 1548 C LEU A 95 -17.184 5.484 4.192 1.00 0.00 C ATOM 1549 O LEU A 95 -16.946 6.097 5.214 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.786 3.421 3.816 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.354 2.369 4.844 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.524 1.431 5.155 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -14.190 1.552 4.274 1.00 0.00 C ATOM 0 H LEU A 95 -17.669 2.714 2.494 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.512 3.614 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.792 2.984 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.069 4.242 3.800 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.042 2.870 5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.209 0.686 5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -17.355 2.008 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.842 0.930 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.880 0.803 5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.508 1.056 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.352 2.215 4.057 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.458 6.104 3.076 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.485 7.594 3.031 1.00 0.00 C ATOM 1567 C ILE A 96 -18.181 8.148 4.278 1.00 0.00 C ATOM 1568 O ILE A 96 -17.560 8.924 4.985 1.00 0.00 O ATOM 1569 CB ILE A 96 -18.286 7.932 1.773 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -17.408 7.718 0.538 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -18.739 9.392 1.827 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -16.250 8.715 0.555 1.00 0.00 C ATOM 1573 OXT ILE A 96 -19.324 7.785 4.505 1.00 0.00 O ATOM 0 H ILE A 96 -17.665 5.641 2.191 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.485 8.028 3.008 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.161 7.284 1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -17.023 6.698 0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.000 7.847 -0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.309 9.629 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -19.365 9.546 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.866 10.042 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -15.625 8.562 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -16.645 9.731 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -15.653 8.564 1.455 1.00 0.00 H new TER 1585 ILE A 96