USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 789 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 52 ASN : amide:sc= -0.576 X(o=1.2,f=1.1) USER MOD Set 1.2: A 67 TYR OH : rot -130:sc= 1.34 USER MOD Set 1.3: A 78 THR OG1 : rot 160:sc= 0.409 USER MOD Set 2.1: A 47 THR OG1 : rot 90:sc= 2.44 USER MOD Set 2.2: A 53 LYS NZ :NH3+ 162:sc= 0.971 (180deg=-0.565) USER MOD Set 3.1: A 40 THR OG1 : rot -140:sc= 0.653 USER MOD Set 3.2: A 48 TYR OH : rot -124:sc= 0.716 USER MOD Single : A 1 GLY N :NH3+ -179:sc= -1.04 (180deg=-1.06) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.251) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0.94 (180deg=0.792) USER MOD Single : A 14 CYS SG : rot -1:sc= -1.37 USER MOD Single : A 16 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.6) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -0.0982 K(o=-0.098,f=-4.6!) USER MOD Single : A 19 THR OG1 : rot -36:sc= 0.871 USER MOD Single : A 28 THR OG1 : rot 26:sc= 0.41 USER MOD Single : A 31 ASN : amide:sc= -0.0974 X(o=-0.097,f=-0.001) USER MOD Single : A 33 HIS : no HD1:sc=-0.00922 X(o=-0.0092,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.411 USER MOD Single : A 54 ASN : amide:sc= -0.0972 X(o=-0.097,f=-0.24) USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= 1.35 (180deg=0.131) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -104:sc= 0.678 (180deg=-1.95!) USER MOD Single : A 63 THR OG1 : rot 62:sc= 0.159 USER MOD Single : A 65 MET CE :methyl -154:sc= -0.201 (180deg=-1.16) USER MOD Single : A 70 ASN : amide:sc= 1.02 K(o=1,f=-1.6) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000364) USER MOD Single : A 74 TYR OH : rot 0:sc= -0.448 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 175:sc= -0.658 (180deg=-0.717) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0971 USER MOD Single : A 97 TYR OH : rot -150:sc= 0.238 USER MOD Single : A 99 LYS NZ :NH3+ -153:sc= 1.18 (180deg=1.15) USER MOD Single : A 100 LYS NZ :NH3+ 129:sc= 1.15 (180deg=0.667) USER MOD Single : A 102 THR OG1 : rot -91:sc= 1.15 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.023 10.005 3.160 1.00 0.00 N ATOM 2 CA GLY A 1 -10.859 10.593 4.482 1.00 0.00 C ATOM 3 C GLY A 1 -9.784 11.659 4.336 1.00 0.00 C ATOM 4 O GLY A 1 -9.633 12.174 3.227 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.763 9.275 3.194 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.297 10.745 2.483 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.126 9.574 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.794 11.028 4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.564 9.838 5.211 1.00 0.00 H new ATOM 10 N ASP A 2 -9.048 11.953 5.396 1.00 0.00 N ATOM 11 CA ASP A 2 -8.067 13.030 5.450 1.00 0.00 C ATOM 12 C ASP A 2 -6.664 12.502 5.183 1.00 0.00 C ATOM 13 O ASP A 2 -6.266 11.465 5.704 1.00 0.00 O ATOM 14 CB ASP A 2 -8.109 13.719 6.819 1.00 0.00 C ATOM 15 CG ASP A 2 -9.016 14.937 6.803 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.224 14.750 6.547 1.00 0.00 O ATOM 17 OD2 ASP A 2 -8.467 16.035 7.032 1.00 0.00 O ATOM 0 H ASP A 2 -9.118 11.433 6.271 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.319 13.754 4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.460 13.013 7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.101 14.018 7.108 1.00 0.00 H new ATOM 22 N VAL A 3 -5.878 13.265 4.423 1.00 0.00 N ATOM 23 CA VAL A 3 -4.490 12.973 4.142 1.00 0.00 C ATOM 24 C VAL A 3 -3.652 13.102 5.418 1.00 0.00 C ATOM 25 O VAL A 3 -2.705 12.345 5.627 1.00 0.00 O ATOM 26 CB VAL A 3 -4.007 13.897 3.011 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.910 13.795 1.775 1.00 0.00 C ATOM 28 CG2 VAL A 3 -3.875 15.373 3.411 1.00 0.00 C ATOM 0 H VAL A 3 -6.206 14.123 3.979 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.375 11.943 3.803 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.005 13.536 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.538 14.461 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.907 12.769 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.927 14.082 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.530 15.952 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.845 15.750 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.157 15.466 4.226 1.00 0.00 H new ATOM 38 N GLU A 4 -4.021 14.057 6.276 1.00 0.00 N ATOM 39 CA GLU A 4 -3.362 14.329 7.543 1.00 0.00 C ATOM 40 C GLU A 4 -3.490 13.115 8.453 1.00 0.00 C ATOM 41 O GLU A 4 -2.501 12.554 8.926 1.00 0.00 O ATOM 42 CB GLU A 4 -4.021 15.556 8.191 1.00 0.00 C ATOM 43 CG GLU A 4 -3.558 16.864 7.537 1.00 0.00 C ATOM 44 CD GLU A 4 -2.264 17.375 8.166 1.00 0.00 C ATOM 45 OE1 GLU A 4 -1.281 16.601 8.158 1.00 0.00 O ATOM 46 OE2 GLU A 4 -2.291 18.519 8.664 1.00 0.00 O ATOM 0 H GLU A 4 -4.811 14.677 6.097 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.303 14.532 7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.105 15.472 8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.783 15.577 9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.407 16.705 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.337 17.619 7.640 1.00 0.00 H new ATOM 53 N LYS A 5 -4.733 12.693 8.691 1.00 0.00 N ATOM 54 CA LYS A 5 -4.965 11.507 9.492 1.00 0.00 C ATOM 55 C LYS A 5 -4.355 10.303 8.782 1.00 0.00 C ATOM 56 O LYS A 5 -3.677 9.510 9.423 1.00 0.00 O ATOM 57 CB LYS A 5 -6.456 11.309 9.772 1.00 0.00 C ATOM 58 CG LYS A 5 -7.058 12.503 10.529 1.00 0.00 C ATOM 59 CD LYS A 5 -8.092 12.025 11.562 1.00 0.00 C ATOM 60 CE LYS A 5 -7.437 11.523 12.861 1.00 0.00 C ATOM 61 NZ LYS A 5 -6.957 12.633 13.713 1.00 0.00 N ATOM 0 H LYS A 5 -5.576 13.151 8.344 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.483 11.624 10.463 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.987 11.170 8.830 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.599 10.399 10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.266 13.059 11.030 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.530 13.187 9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.773 12.843 11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.691 11.225 11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.156 10.924 13.420 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.600 10.869 12.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.524 12.246 14.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.251 13.191 13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.758 13.244 13.972 1.00 0.00 H new ATOM 75 N GLY A 6 -4.548 10.189 7.465 1.00 0.00 N ATOM 76 CA GLY A 6 -4.038 9.066 6.695 1.00 0.00 C ATOM 77 C GLY A 6 -2.542 8.878 6.922 1.00 0.00 C ATOM 78 O GLY A 6 -2.115 7.785 7.291 1.00 0.00 O ATOM 0 H GLY A 6 -5.061 10.874 6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.569 8.157 6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.230 9.231 5.635 1.00 0.00 H new ATOM 82 N LYS A 7 -1.740 9.932 6.732 1.00 0.00 N ATOM 83 CA LYS A 7 -0.291 9.830 6.848 1.00 0.00 C ATOM 84 C LYS A 7 0.149 9.456 8.255 1.00 0.00 C ATOM 85 O LYS A 7 1.070 8.659 8.429 1.00 0.00 O ATOM 86 CB LYS A 7 0.433 11.034 6.227 1.00 0.00 C ATOM 87 CG LYS A 7 0.429 12.254 7.128 1.00 0.00 C ATOM 88 CD LYS A 7 0.829 13.564 6.418 1.00 0.00 C ATOM 89 CE LYS A 7 2.336 13.878 6.459 1.00 0.00 C ATOM 90 NZ LYS A 7 3.171 12.911 5.713 1.00 0.00 N ATOM 0 H LYS A 7 -2.077 10.866 6.497 1.00 0.00 H new ATOM 0 HA LYS A 7 0.033 8.988 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.463 10.757 6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.041 11.287 5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.567 12.374 7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.113 12.081 7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.510 13.510 5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.286 14.391 6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.500 14.875 6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.664 13.900 7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.130 13.297 5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.219 12.015 6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.752 12.740 4.777 1.00 0.00 H new ATOM 104 N LYS A 8 -0.539 10.003 9.255 1.00 0.00 N ATOM 105 CA LYS A 8 -0.216 9.731 10.641 1.00 0.00 C ATOM 106 C LYS A 8 -0.478 8.266 10.943 1.00 0.00 C ATOM 107 O LYS A 8 0.365 7.579 11.515 1.00 0.00 O ATOM 108 CB LYS A 8 -1.070 10.617 11.564 1.00 0.00 C ATOM 109 CG LYS A 8 -0.353 11.908 11.973 1.00 0.00 C ATOM 110 CD LYS A 8 0.379 11.751 13.315 1.00 0.00 C ATOM 111 CE LYS A 8 1.498 10.693 13.271 1.00 0.00 C ATOM 112 NZ LYS A 8 2.259 10.616 14.535 1.00 0.00 N ATOM 0 H LYS A 8 -1.326 10.639 9.123 1.00 0.00 H new ATOM 0 HA LYS A 8 0.837 9.954 10.816 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.002 10.868 11.059 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.334 10.054 12.459 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.362 12.188 11.199 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.077 12.719 12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.806 12.711 13.604 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.342 11.478 14.086 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.062 9.718 13.054 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.181 10.926 12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.999 9.890 14.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.699 11.537 14.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.615 10.367 15.313 1.00 0.00 H new ATOM 126 N ILE A 9 -1.677 7.813 10.596 1.00 0.00 N ATOM 127 CA ILE A 9 -2.177 6.514 10.965 1.00 0.00 C ATOM 128 C ILE A 9 -1.371 5.463 10.210 1.00 0.00 C ATOM 129 O ILE A 9 -0.863 4.522 10.815 1.00 0.00 O ATOM 130 CB ILE A 9 -3.676 6.493 10.659 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.436 7.353 11.687 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.166 5.050 10.708 1.00 0.00 C ATOM 133 CD1 ILE A 9 -5.895 7.612 11.292 1.00 0.00 C ATOM 0 H ILE A 9 -2.335 8.358 10.038 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.061 6.292 12.026 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.858 6.906 9.667 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.411 6.856 12.657 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.922 8.307 11.804 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.234 5.021 10.492 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.629 4.458 9.967 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.986 4.638 11.701 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.376 8.223 12.056 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.926 8.135 10.336 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.422 6.662 11.202 1.00 0.00 H new ATOM 145 N PHE A 10 -1.208 5.652 8.899 1.00 0.00 N ATOM 146 CA PHE A 10 -0.263 4.896 8.108 1.00 0.00 C ATOM 147 C PHE A 10 1.078 4.768 8.829 1.00 0.00 C ATOM 148 O PHE A 10 1.458 3.673 9.228 1.00 0.00 O ATOM 149 CB PHE A 10 -0.104 5.626 6.771 1.00 0.00 C ATOM 150 CG PHE A 10 1.015 5.127 5.905 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.864 3.954 5.160 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.276 5.724 6.013 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.955 3.429 4.464 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.395 5.126 5.435 1.00 0.00 C ATOM 155 CZ PHE A 10 3.213 4.031 4.572 1.00 0.00 C ATOM 0 H PHE A 10 -1.736 6.340 8.363 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.626 3.881 7.946 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.038 5.543 6.215 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.055 6.686 6.970 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.093 3.455 5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.383 6.656 6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.827 2.556 3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.386 5.498 5.647 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.044 3.655 3.993 1.00 0.00 H new ATOM 165 N VAL A 11 1.803 5.869 9.032 1.00 0.00 N ATOM 166 CA VAL A 11 3.100 5.801 9.673 1.00 0.00 C ATOM 167 C VAL A 11 3.013 5.070 11.023 1.00 0.00 C ATOM 168 O VAL A 11 3.908 4.296 11.354 1.00 0.00 O ATOM 169 CB VAL A 11 3.733 7.205 9.735 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.814 7.275 10.810 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.342 7.659 8.399 1.00 0.00 C ATOM 0 H VAL A 11 1.510 6.808 8.761 1.00 0.00 H new ATOM 0 HA VAL A 11 3.780 5.195 9.075 1.00 0.00 H new ATOM 0 HB VAL A 11 2.912 7.879 9.978 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.242 8.277 10.830 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.376 7.048 11.782 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.597 6.550 10.587 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.770 8.655 8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.123 6.961 8.099 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.565 7.684 7.635 1.00 0.00 H new ATOM 181 N GLN A 12 1.932 5.265 11.786 1.00 0.00 N ATOM 182 CA GLN A 12 1.741 4.562 13.046 1.00 0.00 C ATOM 183 C GLN A 12 1.732 3.031 12.877 1.00 0.00 C ATOM 184 O GLN A 12 2.172 2.339 13.791 1.00 0.00 O ATOM 185 CB GLN A 12 0.464 5.052 13.754 1.00 0.00 C ATOM 186 CG GLN A 12 0.524 4.798 15.269 1.00 0.00 C ATOM 187 CD GLN A 12 -0.865 4.586 15.865 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.270 3.458 16.118 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.612 5.661 16.095 1.00 0.00 N ATOM 0 H GLN A 12 1.177 5.908 11.546 1.00 0.00 H new ATOM 0 HA GLN A 12 2.599 4.797 13.675 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.330 6.118 13.568 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.404 4.544 13.333 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.141 3.922 15.466 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.005 5.644 15.760 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.251 6.589 15.875 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.546 5.558 16.491 1.00 0.00 H new ATOM 198 N LYS A 13 1.196 2.491 11.769 1.00 0.00 N ATOM 199 CA LYS A 13 0.942 1.049 11.659 1.00 0.00 C ATOM 200 C LYS A 13 1.125 0.436 10.257 1.00 0.00 C ATOM 201 O LYS A 13 0.587 -0.635 9.973 1.00 0.00 O ATOM 202 CB LYS A 13 -0.391 0.697 12.343 1.00 0.00 C ATOM 203 CG LYS A 13 -1.553 1.669 12.121 1.00 0.00 C ATOM 204 CD LYS A 13 -2.101 1.616 10.692 1.00 0.00 C ATOM 205 CE LYS A 13 -2.866 0.321 10.386 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.010 0.114 11.296 1.00 0.00 N ATOM 0 H LYS A 13 0.933 3.029 10.944 1.00 0.00 H new ATOM 0 HA LYS A 13 1.744 0.552 12.204 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.701 -0.289 11.998 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.213 0.618 13.415 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.355 1.437 12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.220 2.683 12.341 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.762 2.468 10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.274 1.717 9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.224 0.349 9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.185 -0.527 10.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.573 -0.696 10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.660 -0.075 12.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.605 0.967 11.306 1.00 0.00 H new ATOM 220 N CYS A 14 1.914 1.088 9.400 1.00 0.00 N ATOM 221 CA CYS A 14 2.294 0.634 8.062 1.00 0.00 C ATOM 222 C CYS A 14 3.795 0.900 7.831 1.00 0.00 C ATOM 223 O CYS A 14 4.488 0.052 7.276 1.00 0.00 O ATOM 224 CB CYS A 14 1.500 1.338 6.984 1.00 0.00 C ATOM 225 SG CYS A 14 -0.328 1.327 7.082 1.00 0.00 S ATOM 0 H CYS A 14 2.325 1.992 9.633 1.00 0.00 H new ATOM 0 HA CYS A 14 2.081 -0.433 8.003 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.823 2.379 6.964 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.781 0.898 6.027 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.703 0.641 8.120 1.00 0.00 H new ATOM 230 N ALA A 15 4.326 2.064 8.248 1.00 0.00 N ATOM 231 CA ALA A 15 5.723 2.474 8.014 1.00 0.00 C ATOM 232 C ALA A 15 6.780 1.485 8.483 1.00 0.00 C ATOM 233 O ALA A 15 7.862 1.445 7.899 1.00 0.00 O ATOM 234 CB ALA A 15 6.024 3.820 8.649 1.00 0.00 C ATOM 0 H ALA A 15 3.787 2.758 8.766 1.00 0.00 H new ATOM 0 HA ALA A 15 5.790 2.525 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.062 4.089 8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.367 4.578 8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.859 3.760 9.725 1.00 0.00 H new ATOM 240 N GLN A 16 6.474 0.719 9.531 1.00 0.00 N ATOM 241 CA GLN A 16 7.276 -0.410 9.979 1.00 0.00 C ATOM 242 C GLN A 16 7.758 -1.274 8.804 1.00 0.00 C ATOM 243 O GLN A 16 8.877 -1.780 8.829 1.00 0.00 O ATOM 244 CB GLN A 16 6.450 -1.206 10.999 1.00 0.00 C ATOM 245 CG GLN A 16 5.159 -1.811 10.408 1.00 0.00 C ATOM 246 CD GLN A 16 3.982 -1.794 11.380 1.00 0.00 C ATOM 247 OE1 GLN A 16 3.807 -0.847 12.138 1.00 0.00 O ATOM 248 NE2 GLN A 16 3.137 -2.817 11.348 1.00 0.00 N ATOM 0 H GLN A 16 5.643 0.873 10.101 1.00 0.00 H new ATOM 0 HA GLN A 16 8.187 -0.051 10.459 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.065 -2.009 11.405 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.188 -0.553 11.831 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.886 -1.259 9.509 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.355 -2.839 10.104 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.302 -3.595 10.709 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.323 -2.825 11.962 1.00 0.00 H new ATOM 257 N CYS A 17 6.904 -1.418 7.786 1.00 0.00 N ATOM 258 CA CYS A 17 7.167 -2.116 6.544 1.00 0.00 C ATOM 259 C CYS A 17 7.379 -1.114 5.387 1.00 0.00 C ATOM 260 O CYS A 17 8.151 -1.399 4.475 1.00 0.00 O ATOM 261 CB CYS A 17 6.025 -3.070 6.276 1.00 0.00 C ATOM 262 SG CYS A 17 5.918 -4.398 7.533 1.00 0.00 S ATOM 0 H CYS A 17 5.963 -1.026 7.818 1.00 0.00 H new ATOM 0 HA CYS A 17 8.089 -2.692 6.623 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.087 -2.514 6.257 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.151 -3.516 5.289 1.00 0.00 H new ATOM 0 HG CYS A 17 4.920 -5.182 7.252 1.00 0.00 H new ATOM 267 N HIS A 18 6.716 0.055 5.400 1.00 0.00 N ATOM 268 CA HIS A 18 6.674 0.985 4.267 1.00 0.00 C ATOM 269 C HIS A 18 7.032 2.421 4.651 1.00 0.00 C ATOM 270 O HIS A 18 6.157 3.273 4.732 1.00 0.00 O ATOM 271 CB HIS A 18 5.251 1.010 3.704 1.00 0.00 C ATOM 272 CG HIS A 18 4.808 -0.280 3.100 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.022 -0.644 1.795 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.824 -1.077 3.612 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.173 -1.645 1.529 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.443 -1.966 2.600 1.00 0.00 N ATOM 0 H HIS A 18 6.189 0.381 6.210 1.00 0.00 H new ATOM 0 HA HIS A 18 7.409 0.631 3.544 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.561 1.279 4.504 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.185 1.793 2.949 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.697 -0.232 1.151 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.416 -1.030 4.611 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.089 -2.132 0.569 1.00 0.00 H new ATOM 284 N THR A 19 8.298 2.763 4.853 1.00 0.00 N ATOM 285 CA THR A 19 8.647 4.103 5.314 1.00 0.00 C ATOM 286 C THR A 19 8.633 5.148 4.170 1.00 0.00 C ATOM 287 O THR A 19 9.666 5.715 3.812 1.00 0.00 O ATOM 288 CB THR A 19 9.988 3.986 6.044 1.00 0.00 C ATOM 289 OG1 THR A 19 10.051 2.784 6.795 1.00 0.00 O ATOM 290 CG2 THR A 19 10.290 5.186 6.944 1.00 0.00 C ATOM 0 H THR A 19 9.093 2.140 4.707 1.00 0.00 H new ATOM 0 HA THR A 19 7.896 4.486 6.005 1.00 0.00 H new ATOM 0 HB THR A 19 10.754 3.970 5.269 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.166 2.581 7.163 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.254 5.041 7.432 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.321 6.094 6.342 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.511 5.279 7.700 1.00 0.00 H new ATOM 298 N VAL A 20 7.459 5.419 3.585 1.00 0.00 N ATOM 299 CA VAL A 20 7.248 6.393 2.527 1.00 0.00 C ATOM 300 C VAL A 20 7.116 7.821 3.090 1.00 0.00 C ATOM 301 O VAL A 20 6.009 8.314 3.317 1.00 0.00 O ATOM 302 CB VAL A 20 6.068 5.952 1.645 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.697 6.023 2.319 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.044 6.773 0.358 1.00 0.00 C ATOM 0 H VAL A 20 6.599 4.941 3.854 1.00 0.00 H new ATOM 0 HA VAL A 20 8.126 6.430 1.882 1.00 0.00 H new ATOM 0 HB VAL A 20 6.244 4.896 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.930 5.693 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.689 5.377 3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.493 7.050 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.205 6.455 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.934 7.830 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.976 6.622 -0.187 1.00 0.00 H new ATOM 426 N THR A 28 10.622 -5.421 3.858 1.00 0.00 N ATOM 427 CA THR A 28 9.375 -6.141 4.093 1.00 0.00 C ATOM 428 C THR A 28 8.190 -5.313 3.587 1.00 0.00 C ATOM 429 O THR A 28 7.083 -5.451 4.088 1.00 0.00 O ATOM 430 CB THR A 28 9.234 -6.522 5.585 1.00 0.00 C ATOM 431 OG1 THR A 28 10.497 -6.895 6.108 1.00 0.00 O ATOM 432 CG2 THR A 28 8.281 -7.707 5.805 1.00 0.00 C ATOM 0 HA THR A 28 9.387 -7.075 3.532 1.00 0.00 H new ATOM 0 HB THR A 28 8.830 -5.644 6.089 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.207 -6.459 5.592 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.219 -7.932 6.870 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.290 -7.451 5.430 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.657 -8.580 5.271 1.00 0.00 H new ATOM 440 N GLY A 29 8.407 -4.496 2.556 1.00 0.00 N ATOM 441 CA GLY A 29 7.412 -3.591 2.018 1.00 0.00 C ATOM 442 C GLY A 29 8.164 -2.591 1.144 1.00 0.00 C ATOM 443 O GLY A 29 9.182 -2.061 1.587 1.00 0.00 O ATOM 0 H GLY A 29 9.301 -4.450 2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.669 -4.134 1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.878 -3.081 2.819 1.00 0.00 H new ATOM 447 N PRO A 30 7.752 -2.359 -0.110 1.00 0.00 N ATOM 448 CA PRO A 30 8.393 -1.371 -0.953 1.00 0.00 C ATOM 449 C PRO A 30 7.952 0.018 -0.489 1.00 0.00 C ATOM 450 O PRO A 30 6.790 0.220 -0.135 1.00 0.00 O ATOM 451 CB PRO A 30 7.922 -1.688 -2.372 1.00 0.00 C ATOM 452 CG PRO A 30 6.540 -2.311 -2.162 1.00 0.00 C ATOM 453 CD PRO A 30 6.629 -2.978 -0.787 1.00 0.00 C ATOM 0 HA PRO A 30 9.482 -1.391 -0.908 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.867 -0.789 -2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.600 -2.377 -2.875 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.755 -1.555 -2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.308 -3.037 -2.942 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.707 -2.834 -0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.778 -4.053 -0.885 1.00 0.00 H new ATOM 461 N ASN A 31 8.866 0.989 -0.485 1.00 0.00 N ATOM 462 CA ASN A 31 8.514 2.362 -0.169 1.00 0.00 C ATOM 463 C ASN A 31 7.603 2.851 -1.293 1.00 0.00 C ATOM 464 O ASN A 31 7.937 2.700 -2.467 1.00 0.00 O ATOM 465 CB ASN A 31 9.768 3.235 -0.013 1.00 0.00 C ATOM 466 CG ASN A 31 10.775 2.657 0.984 1.00 0.00 C ATOM 467 OD1 ASN A 31 11.968 2.606 0.704 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.316 2.168 2.133 1.00 0.00 N ATOM 0 H ASN A 31 9.853 0.844 -0.698 1.00 0.00 H new ATOM 0 HA ASN A 31 7.995 2.426 0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.250 3.347 -0.984 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.472 4.232 0.313 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.960 1.741 2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.320 2.220 2.348 1.00 0.00 H new ATOM 475 N LEU A 32 6.427 3.370 -0.936 1.00 0.00 N ATOM 476 CA LEU A 32 5.303 3.575 -1.840 1.00 0.00 C ATOM 477 C LEU A 32 5.502 4.839 -2.689 1.00 0.00 C ATOM 478 O LEU A 32 4.692 5.761 -2.664 1.00 0.00 O ATOM 479 CB LEU A 32 4.008 3.615 -1.006 1.00 0.00 C ATOM 480 CG LEU A 32 3.807 2.403 -0.077 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.586 2.627 0.819 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.597 1.097 -0.852 1.00 0.00 C ATOM 0 H LEU A 32 6.228 3.667 0.019 1.00 0.00 H new ATOM 0 HA LEU A 32 5.232 2.750 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.008 4.523 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.157 3.682 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 32 4.717 2.311 0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.451 1.765 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.738 3.521 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.698 2.755 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.460 0.275 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.712 1.186 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.469 0.900 -1.476 1.00 0.00 H new ATOM 494 N HIS A 33 6.598 4.867 -3.450 1.00 0.00 N ATOM 495 CA HIS A 33 7.101 6.030 -4.166 1.00 0.00 C ATOM 496 C HIS A 33 6.130 6.484 -5.262 1.00 0.00 C ATOM 497 O HIS A 33 6.095 7.659 -5.609 1.00 0.00 O ATOM 498 CB HIS A 33 8.482 5.667 -4.737 1.00 0.00 C ATOM 499 CG HIS A 33 9.360 6.809 -5.195 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.606 6.655 -5.763 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.164 8.155 -5.004 1.00 0.00 C ATOM 502 CE1 HIS A 33 11.139 7.878 -5.923 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.299 8.824 -5.476 1.00 0.00 N ATOM 0 H HIS A 33 7.181 4.041 -3.587 1.00 0.00 H new ATOM 0 HA HIS A 33 7.194 6.876 -3.485 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.026 5.106 -3.977 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.333 4.995 -5.582 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.290 8.615 -4.567 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.111 8.073 -6.353 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.457 9.832 -5.480 1.00 0.00 H new ATOM 511 N GLY A 34 5.358 5.556 -5.834 1.00 0.00 N ATOM 512 CA GLY A 34 4.387 5.894 -6.860 1.00 0.00 C ATOM 513 C GLY A 34 3.485 4.707 -7.169 1.00 0.00 C ATOM 514 O GLY A 34 3.835 3.892 -8.019 1.00 0.00 O ATOM 0 H GLY A 34 5.392 4.564 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.782 6.739 -6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.905 6.208 -7.766 1.00 0.00 H new ATOM 518 N LEU A 35 2.341 4.606 -6.485 1.00 0.00 N ATOM 519 CA LEU A 35 1.359 3.558 -6.738 1.00 0.00 C ATOM 520 C LEU A 35 0.460 3.985 -7.895 1.00 0.00 C ATOM 521 O LEU A 35 0.471 3.383 -8.965 1.00 0.00 O ATOM 522 CB LEU A 35 0.486 3.270 -5.508 1.00 0.00 C ATOM 523 CG LEU A 35 1.134 2.311 -4.507 1.00 0.00 C ATOM 524 CD1 LEU A 35 1.435 0.938 -5.111 1.00 0.00 C ATOM 525 CD2 LEU A 35 2.422 2.904 -3.959 1.00 0.00 C ATOM 0 H LEU A 35 2.074 5.251 -5.741 1.00 0.00 H new ATOM 0 HA LEU A 35 1.904 2.646 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.261 4.210 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.464 2.850 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 35 0.410 2.172 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.894 0.301 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.508 0.481 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.119 1.053 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.869 2.209 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.118 3.083 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.204 3.846 -3.456 1.00 0.00 H new ATOM 537 N PHE A 36 -0.331 5.031 -7.633 1.00 0.00 N ATOM 538 CA PHE A 36 -1.355 5.562 -8.516 1.00 0.00 C ATOM 539 C PHE A 36 -0.806 5.787 -9.917 1.00 0.00 C ATOM 540 O PHE A 36 -0.039 6.722 -10.136 1.00 0.00 O ATOM 541 CB PHE A 36 -1.944 6.843 -7.909 1.00 0.00 C ATOM 542 CG PHE A 36 -2.760 6.574 -6.657 1.00 0.00 C ATOM 543 CD1 PHE A 36 -4.095 6.149 -6.782 1.00 0.00 C ATOM 544 CD2 PHE A 36 -2.156 6.590 -5.386 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.799 5.706 -5.652 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.855 6.121 -4.260 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.185 5.685 -4.393 1.00 0.00 C ATOM 0 H PHE A 36 -0.265 5.549 -6.757 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.160 4.834 -8.613 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.135 7.533 -7.670 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.574 7.336 -8.650 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.578 6.164 -7.748 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.149 6.965 -5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.823 5.378 -5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.371 6.096 -3.295 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.731 5.336 -3.529 1.00 0.00 H new ATOM 557 N GLY A 37 -1.211 4.933 -10.859 1.00 0.00 N ATOM 558 CA GLY A 37 -0.768 5.054 -12.238 1.00 0.00 C ATOM 559 C GLY A 37 0.567 4.351 -12.468 1.00 0.00 C ATOM 560 O GLY A 37 1.406 4.869 -13.204 1.00 0.00 O ATOM 0 H GLY A 37 -1.845 4.153 -10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.522 4.629 -12.901 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.673 6.108 -12.498 1.00 0.00 H new ATOM 564 N ARG A 38 0.775 3.168 -11.877 1.00 0.00 N ATOM 565 CA ARG A 38 2.001 2.408 -12.086 1.00 0.00 C ATOM 566 C ARG A 38 1.723 0.906 -12.057 1.00 0.00 C ATOM 567 O ARG A 38 1.110 0.391 -11.125 1.00 0.00 O ATOM 568 CB ARG A 38 3.079 2.844 -11.076 1.00 0.00 C ATOM 569 CG ARG A 38 4.297 3.421 -11.808 1.00 0.00 C ATOM 570 CD ARG A 38 5.209 4.171 -10.834 1.00 0.00 C ATOM 571 NE ARG A 38 6.165 5.012 -11.570 1.00 0.00 N ATOM 572 CZ ARG A 38 6.740 6.116 -11.070 1.00 0.00 C ATOM 573 NH1 ARG A 38 6.734 6.333 -9.751 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.304 6.997 -11.900 1.00 0.00 N ATOM 0 H ARG A 38 0.106 2.721 -11.251 1.00 0.00 H new ATOM 0 HA ARG A 38 2.393 2.625 -13.079 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.668 3.590 -10.396 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.382 1.992 -10.468 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.853 2.616 -12.289 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.967 4.096 -12.598 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.609 4.790 -10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.748 3.459 -10.209 1.00 0.00 H new ATOM 0 HE ARG A 38 6.406 4.738 -12.522 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.292 5.659 -9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.171 7.172 -9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.295 6.828 -12.906 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.743 7.839 -11.528 1.00 0.00 H new ATOM 588 N LYS A 39 2.152 0.216 -13.119 1.00 0.00 N ATOM 589 CA LYS A 39 1.948 -1.210 -13.304 1.00 0.00 C ATOM 590 C LYS A 39 2.794 -2.001 -12.299 1.00 0.00 C ATOM 591 O LYS A 39 4.018 -2.042 -12.430 1.00 0.00 O ATOM 592 CB LYS A 39 2.219 -1.576 -14.776 1.00 0.00 C ATOM 593 CG LYS A 39 3.680 -1.409 -15.231 1.00 0.00 C ATOM 594 CD LYS A 39 3.738 -0.988 -16.708 1.00 0.00 C ATOM 595 CE LYS A 39 5.170 -0.987 -17.267 1.00 0.00 C ATOM 596 NZ LYS A 39 5.648 -2.348 -17.597 1.00 0.00 N ATOM 0 H LYS A 39 2.662 0.651 -13.888 1.00 0.00 H new ATOM 0 HA LYS A 39 0.913 -1.482 -13.098 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.920 -2.612 -14.938 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.584 -0.958 -15.411 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.176 -0.660 -14.613 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.220 -2.346 -15.092 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.122 -1.665 -17.299 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.310 0.009 -16.815 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.208 -0.365 -18.161 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.842 -0.536 -16.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.617 -2.295 -17.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.639 -2.937 -16.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.024 -2.771 -18.314 1.00 0.00 H new ATOM 610 N THR A 40 2.160 -2.607 -11.290 1.00 0.00 N ATOM 611 CA THR A 40 2.871 -3.438 -10.329 1.00 0.00 C ATOM 612 C THR A 40 3.302 -4.755 -10.965 1.00 0.00 C ATOM 613 O THR A 40 3.313 -4.928 -12.184 1.00 0.00 O ATOM 614 CB THR A 40 2.031 -3.666 -9.068 1.00 0.00 C ATOM 615 OG1 THR A 40 2.860 -4.095 -8.008 1.00 0.00 O ATOM 616 CG2 THR A 40 0.924 -4.715 -9.194 1.00 0.00 C ATOM 0 H THR A 40 1.156 -2.534 -11.123 1.00 0.00 H new ATOM 0 HA THR A 40 3.774 -2.909 -10.025 1.00 0.00 H new ATOM 0 HB THR A 40 1.558 -2.700 -8.890 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.401 -4.792 -7.495 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.391 -4.798 -8.247 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.227 -4.416 -9.977 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.364 -5.679 -9.448 1.00 0.00 H new ATOM 624 N GLY A 41 3.604 -5.710 -10.096 1.00 0.00 N ATOM 625 CA GLY A 41 3.920 -7.063 -10.474 1.00 0.00 C ATOM 626 C GLY A 41 5.386 -7.154 -10.887 1.00 0.00 C ATOM 627 O GLY A 41 5.754 -7.983 -11.715 1.00 0.00 O ATOM 0 H GLY A 41 3.634 -5.553 -9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.725 -7.738 -9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.280 -7.379 -11.298 1.00 0.00 H new ATOM 631 N GLN A 42 6.227 -6.281 -10.316 1.00 0.00 N ATOM 632 CA GLN A 42 7.636 -6.165 -10.655 1.00 0.00 C ATOM 633 C GLN A 42 8.429 -5.691 -9.438 1.00 0.00 C ATOM 634 O GLN A 42 8.834 -6.523 -8.630 1.00 0.00 O ATOM 635 CB GLN A 42 7.835 -5.256 -11.882 1.00 0.00 C ATOM 636 CG GLN A 42 7.260 -5.837 -13.183 1.00 0.00 C ATOM 637 CD GLN A 42 7.723 -5.027 -14.388 1.00 0.00 C ATOM 638 OE1 GLN A 42 8.490 -5.503 -15.216 1.00 0.00 O ATOM 639 NE2 GLN A 42 7.291 -3.772 -14.489 1.00 0.00 N ATOM 0 H GLN A 42 5.932 -5.626 -9.592 1.00 0.00 H new ATOM 0 HA GLN A 42 8.020 -7.146 -10.933 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.367 -4.291 -11.688 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.901 -5.072 -12.017 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.575 -6.875 -13.294 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.171 -5.838 -13.136 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.652 -3.395 -13.789 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.598 -3.188 -15.267 1.00 0.00 H new ATOM 648 N ALA A 43 8.654 -4.377 -9.302 1.00 0.00 N ATOM 649 CA ALA A 43 9.594 -3.790 -8.352 1.00 0.00 C ATOM 650 C ALA A 43 10.973 -4.461 -8.438 1.00 0.00 C ATOM 651 O ALA A 43 11.333 -5.243 -7.554 1.00 0.00 O ATOM 652 CB ALA A 43 9.005 -3.864 -6.952 1.00 0.00 C ATOM 0 H ALA A 43 8.171 -3.679 -9.868 1.00 0.00 H new ATOM 0 HA ALA A 43 9.752 -2.741 -8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.704 -3.426 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.065 -3.313 -6.923 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.823 -4.906 -6.689 1.00 0.00 H new ATOM 658 N PRO A 44 11.741 -4.168 -9.502 1.00 0.00 N ATOM 659 CA PRO A 44 12.981 -4.857 -9.826 1.00 0.00 C ATOM 660 C PRO A 44 14.088 -4.515 -8.822 1.00 0.00 C ATOM 661 O PRO A 44 14.984 -3.723 -9.103 1.00 0.00 O ATOM 662 CB PRO A 44 13.320 -4.430 -11.260 1.00 0.00 C ATOM 663 CG PRO A 44 12.705 -3.035 -11.361 1.00 0.00 C ATOM 664 CD PRO A 44 11.435 -3.172 -10.522 1.00 0.00 C ATOM 0 HA PRO A 44 12.880 -5.940 -9.762 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.396 -4.409 -11.431 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.894 -5.113 -11.995 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.371 -2.268 -10.966 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.482 -2.763 -12.393 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.160 -2.219 -10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.592 -3.487 -11.137 1.00 0.00 H new ATOM 672 N GLY A 45 14.029 -5.142 -7.648 1.00 0.00 N ATOM 673 CA GLY A 45 15.058 -5.059 -6.629 1.00 0.00 C ATOM 674 C GLY A 45 14.664 -5.944 -5.454 1.00 0.00 C ATOM 675 O GLY A 45 15.289 -6.970 -5.204 1.00 0.00 O ATOM 0 H GLY A 45 13.243 -5.734 -7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.017 -5.378 -7.036 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.179 -4.027 -6.299 1.00 0.00 H new ATOM 679 N PHE A 46 13.599 -5.548 -4.752 1.00 0.00 N ATOM 680 CA PHE A 46 13.056 -6.303 -3.625 1.00 0.00 C ATOM 681 C PHE A 46 12.002 -7.299 -4.122 1.00 0.00 C ATOM 682 O PHE A 46 12.004 -8.448 -3.686 1.00 0.00 O ATOM 683 CB PHE A 46 12.570 -5.334 -2.528 1.00 0.00 C ATOM 684 CG PHE A 46 11.230 -5.634 -1.883 1.00 0.00 C ATOM 685 CD1 PHE A 46 11.123 -6.519 -0.791 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.073 -5.027 -2.401 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.864 -6.769 -0.208 1.00 0.00 C ATOM 688 CE2 PHE A 46 8.823 -5.313 -1.836 1.00 0.00 C ATOM 689 CZ PHE A 46 8.719 -6.141 -0.711 1.00 0.00 C ATOM 0 H PHE A 46 13.088 -4.689 -4.953 1.00 0.00 H new ATOM 0 HA PHE A 46 13.829 -6.910 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.325 -5.307 -1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.522 -4.334 -2.958 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.005 -7.005 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.147 -4.342 -3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.783 -7.447 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.930 -4.890 -2.273 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.762 -6.294 -0.235 1.00 0.00 H new ATOM 699 N THR A 47 11.144 -6.874 -5.063 1.00 0.00 N ATOM 700 CA THR A 47 9.975 -7.616 -5.528 1.00 0.00 C ATOM 701 C THR A 47 9.222 -8.324 -4.396 1.00 0.00 C ATOM 702 O THR A 47 9.285 -7.903 -3.246 1.00 0.00 O ATOM 703 CB THR A 47 10.300 -8.460 -6.771 1.00 0.00 C ATOM 704 OG1 THR A 47 9.095 -8.884 -7.397 1.00 0.00 O ATOM 705 CG2 THR A 47 11.204 -9.652 -6.460 1.00 0.00 C ATOM 0 H THR A 47 11.254 -5.975 -5.532 1.00 0.00 H new ATOM 0 HA THR A 47 9.233 -6.900 -5.882 1.00 0.00 H new ATOM 0 HB THR A 47 10.860 -7.825 -7.457 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.821 -8.220 -8.063 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.398 -10.210 -7.376 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.147 -9.295 -6.045 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.712 -10.302 -5.736 1.00 0.00 H new ATOM 713 N TYR A 48 8.409 -9.325 -4.722 1.00 0.00 N ATOM 714 CA TYR A 48 7.443 -9.856 -3.775 1.00 0.00 C ATOM 715 C TYR A 48 7.102 -11.309 -4.104 1.00 0.00 C ATOM 716 O TYR A 48 7.720 -11.909 -4.986 1.00 0.00 O ATOM 717 CB TYR A 48 6.187 -8.974 -3.737 1.00 0.00 C ATOM 718 CG TYR A 48 6.057 -7.885 -4.771 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.579 -6.611 -4.520 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.286 -8.100 -5.916 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.490 -5.606 -5.494 1.00 0.00 C ATOM 722 CE2 TYR A 48 5.071 -7.049 -6.813 1.00 0.00 C ATOM 723 CZ TYR A 48 5.752 -5.840 -6.664 1.00 0.00 C ATOM 724 OH TYR A 48 5.944 -5.066 -7.769 1.00 0.00 O ATOM 0 H TYR A 48 8.403 -9.782 -5.634 1.00 0.00 H new ATOM 0 HA TYR A 48 7.888 -9.843 -2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.318 -9.626 -3.827 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.135 -8.508 -2.753 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.052 -6.401 -3.572 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.858 -9.073 -6.107 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.986 -4.658 -5.344 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.373 -7.174 -7.627 1.00 0.00 H new ATOM 0 HH TYR A 48 5.091 -4.666 -8.040 1.00 0.00 H new ATOM 734 N THR A 49 6.101 -11.853 -3.402 1.00 0.00 N ATOM 735 CA THR A 49 5.513 -13.149 -3.723 1.00 0.00 C ATOM 736 C THR A 49 5.104 -13.214 -5.193 1.00 0.00 C ATOM 737 O THR A 49 4.807 -12.188 -5.795 1.00 0.00 O ATOM 738 CB THR A 49 4.264 -13.392 -2.859 1.00 0.00 C ATOM 739 OG1 THR A 49 3.344 -12.312 -2.968 1.00 0.00 O ATOM 740 CG2 THR A 49 4.663 -13.639 -1.408 1.00 0.00 C ATOM 0 H THR A 49 5.677 -11.400 -2.592 1.00 0.00 H new ATOM 0 HA THR A 49 6.264 -13.913 -3.522 1.00 0.00 H new ATOM 0 HB THR A 49 3.759 -14.284 -3.229 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.559 -12.493 -2.410 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.769 -13.809 -0.809 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.309 -14.515 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.197 -12.769 -1.024 1.00 0.00 H new ATOM 748 N ASP A 50 5.005 -14.426 -5.744 1.00 0.00 N ATOM 749 CA ASP A 50 4.299 -14.684 -6.993 1.00 0.00 C ATOM 750 C ASP A 50 2.853 -14.212 -6.886 1.00 0.00 C ATOM 751 O ASP A 50 2.325 -13.650 -7.829 1.00 0.00 O ATOM 752 CB ASP A 50 4.379 -16.170 -7.335 1.00 0.00 C ATOM 753 CG ASP A 50 3.749 -16.403 -8.699 1.00 0.00 C ATOM 754 OD1 ASP A 50 4.418 -16.040 -9.691 1.00 0.00 O ATOM 755 OD2 ASP A 50 2.609 -16.912 -8.715 1.00 0.00 O ATOM 0 H ASP A 50 5.418 -15.261 -5.329 1.00 0.00 H new ATOM 0 HA ASP A 50 4.772 -14.125 -7.801 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.418 -16.499 -7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.862 -16.758 -6.577 1.00 0.00 H new ATOM 760 N ALA A 51 2.213 -14.364 -5.727 1.00 0.00 N ATOM 761 CA ALA A 51 0.840 -13.910 -5.548 1.00 0.00 C ATOM 762 C ALA A 51 0.671 -12.414 -5.849 1.00 0.00 C ATOM 763 O ALA A 51 -0.204 -12.044 -6.632 1.00 0.00 O ATOM 764 CB ALA A 51 0.360 -14.297 -4.145 1.00 0.00 C ATOM 0 H ALA A 51 2.625 -14.798 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 51 0.205 -14.412 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.667 -13.959 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.405 -15.380 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.001 -13.827 -3.399 1.00 0.00 H new ATOM 770 N ASN A 52 1.491 -11.540 -5.253 1.00 0.00 N ATOM 771 CA ASN A 52 1.418 -10.108 -5.558 1.00 0.00 C ATOM 772 C ASN A 52 2.094 -9.809 -6.899 1.00 0.00 C ATOM 773 O ASN A 52 1.713 -8.869 -7.594 1.00 0.00 O ATOM 774 CB ASN A 52 2.022 -9.271 -4.422 1.00 0.00 C ATOM 775 CG ASN A 52 1.719 -7.762 -4.493 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.109 -7.212 -3.584 1.00 0.00 O ATOM 777 ND2 ASN A 52 2.158 -7.051 -5.526 1.00 0.00 N ATOM 0 H ASN A 52 2.202 -11.795 -4.567 1.00 0.00 H new ATOM 0 HA ASN A 52 0.368 -9.828 -5.644 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.653 -9.656 -3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.103 -9.410 -4.424 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.987 -6.046 -5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.666 -7.510 -6.282 1.00 0.00 H new ATOM 784 N LYS A 53 3.117 -10.571 -7.284 1.00 0.00 N ATOM 785 CA LYS A 53 3.847 -10.310 -8.518 1.00 0.00 C ATOM 786 C LYS A 53 2.945 -10.573 -9.720 1.00 0.00 C ATOM 787 O LYS A 53 2.920 -9.818 -10.685 1.00 0.00 O ATOM 788 CB LYS A 53 5.155 -11.090 -8.567 1.00 0.00 C ATOM 789 CG LYS A 53 5.873 -10.963 -9.920 1.00 0.00 C ATOM 790 CD LYS A 53 7.354 -10.632 -9.743 1.00 0.00 C ATOM 791 CE LYS A 53 8.073 -11.697 -8.905 1.00 0.00 C ATOM 792 NZ LYS A 53 9.459 -11.289 -8.627 1.00 0.00 N ATOM 0 H LYS A 53 3.457 -11.375 -6.756 1.00 0.00 H new ATOM 0 HA LYS A 53 4.132 -9.258 -8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.815 -10.734 -7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.953 -12.142 -8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.772 -11.896 -10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.394 -10.185 -10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.830 -10.555 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.455 -9.659 -9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.539 -11.851 -7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.068 -12.649 -9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.831 -11.844 -7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.046 -11.457 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.481 -10.278 -8.385 1.00 0.00 H new ATOM 806 N ASN A 54 2.163 -11.637 -9.627 1.00 0.00 N ATOM 807 CA ASN A 54 1.220 -12.054 -10.638 1.00 0.00 C ATOM 808 C ASN A 54 0.061 -11.048 -10.766 1.00 0.00 C ATOM 809 O ASN A 54 -0.753 -11.155 -11.677 1.00 0.00 O ATOM 810 CB ASN A 54 0.703 -13.454 -10.283 1.00 0.00 C ATOM 811 CG ASN A 54 -0.226 -14.020 -11.352 1.00 0.00 C ATOM 812 OD1 ASN A 54 0.066 -13.953 -12.543 1.00 0.00 O ATOM 813 ND2 ASN A 54 -1.348 -14.606 -10.944 1.00 0.00 N ATOM 0 H ASN A 54 2.172 -12.252 -8.814 1.00 0.00 H new ATOM 0 HA ASN A 54 1.718 -12.088 -11.607 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.549 -14.127 -10.148 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.174 -13.412 -9.331 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.988 -15.013 -11.626 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.568 -14.649 -9.949 1.00 0.00 H new ATOM 820 N LYS A 55 -0.060 -10.089 -9.833 1.00 0.00 N ATOM 821 CA LYS A 55 -1.254 -9.259 -9.707 1.00 0.00 C ATOM 822 C LYS A 55 -1.473 -8.373 -10.939 1.00 0.00 C ATOM 823 O LYS A 55 -2.592 -8.303 -11.439 1.00 0.00 O ATOM 824 CB LYS A 55 -1.172 -8.424 -8.422 1.00 0.00 C ATOM 825 CG LYS A 55 -2.502 -7.748 -8.059 1.00 0.00 C ATOM 826 CD LYS A 55 -3.518 -8.716 -7.428 1.00 0.00 C ATOM 827 CE LYS A 55 -4.809 -8.894 -8.243 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.966 -9.229 -7.379 1.00 0.00 N ATOM 0 H LYS A 55 0.667 -9.873 -9.151 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.121 -9.917 -9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.860 -9.066 -7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.403 -7.660 -8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.309 -6.930 -7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.937 -7.309 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.045 -9.690 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.777 -8.355 -6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.020 -7.977 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.666 -9.683 -8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.686 -9.726 -7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.651 -9.841 -6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.373 -8.355 -6.990 1.00 0.00 H new ATOM 842 N GLY A 56 -0.425 -7.673 -11.392 1.00 0.00 N ATOM 843 CA GLY A 56 -0.433 -6.871 -12.614 1.00 0.00 C ATOM 844 C GLY A 56 -1.619 -5.900 -12.719 1.00 0.00 C ATOM 845 O GLY A 56 -2.529 -6.101 -13.519 1.00 0.00 O ATOM 0 H GLY A 56 0.471 -7.651 -10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.495 -6.302 -12.668 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.447 -7.540 -13.475 1.00 0.00 H new ATOM 849 N ILE A 57 -1.586 -4.816 -11.941 1.00 0.00 N ATOM 850 CA ILE A 57 -2.583 -3.764 -11.882 1.00 0.00 C ATOM 851 C ILE A 57 -1.878 -2.416 -11.801 1.00 0.00 C ATOM 852 O ILE A 57 -0.683 -2.361 -11.538 1.00 0.00 O ATOM 853 CB ILE A 57 -3.434 -3.928 -10.621 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.560 -4.099 -9.367 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.420 -5.089 -10.809 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.330 -3.746 -8.101 1.00 0.00 C ATOM 0 H ILE A 57 -0.812 -4.646 -11.299 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.213 -3.820 -12.770 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.011 -3.017 -10.464 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.207 -5.128 -9.305 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.678 -3.464 -9.447 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.024 -5.203 -9.909 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.070 -4.880 -11.659 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.867 -6.010 -10.993 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.684 -3.878 -7.233 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.660 -2.709 -8.153 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.198 -4.399 -8.009 1.00 0.00 H new ATOM 868 N THR A 58 -2.637 -1.337 -11.969 1.00 0.00 N ATOM 869 CA THR A 58 -2.153 0.038 -12.019 1.00 0.00 C ATOM 870 C THR A 58 -2.149 0.724 -10.639 1.00 0.00 C ATOM 871 O THR A 58 -1.905 1.930 -10.558 1.00 0.00 O ATOM 872 CB THR A 58 -3.060 0.746 -13.038 1.00 0.00 C ATOM 873 OG1 THR A 58 -3.241 -0.121 -14.142 1.00 0.00 O ATOM 874 CG2 THR A 58 -2.517 2.082 -13.536 1.00 0.00 C ATOM 0 H THR A 58 -3.649 -1.400 -12.079 1.00 0.00 H new ATOM 0 HA THR A 58 -1.107 0.080 -12.323 1.00 0.00 H new ATOM 0 HB THR A 58 -3.997 0.972 -12.530 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.819 0.310 -14.805 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.216 2.515 -14.251 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.393 2.761 -12.693 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.553 1.925 -14.021 1.00 0.00 H new ATOM 882 N TRP A 59 -2.455 -0.040 -9.577 1.00 0.00 N ATOM 883 CA TRP A 59 -2.682 0.418 -8.210 1.00 0.00 C ATOM 884 C TRP A 59 -3.405 1.760 -8.153 1.00 0.00 C ATOM 885 O TRP A 59 -2.852 2.761 -7.708 1.00 0.00 O ATOM 886 CB TRP A 59 -1.383 0.421 -7.408 1.00 0.00 C ATOM 887 CG TRP A 59 -0.897 -0.912 -6.943 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.323 -1.418 -7.201 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.522 -1.849 -6.015 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.461 -2.647 -6.594 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.646 -2.962 -5.835 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.734 -1.862 -5.291 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.970 -4.043 -5.000 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -3.050 -2.923 -4.426 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.173 -4.012 -4.275 1.00 0.00 C ATOM 0 H TRP A 59 -2.555 -1.052 -9.662 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.354 -0.299 -7.738 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.604 0.877 -8.019 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.519 1.060 -6.536 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.082 -0.932 -7.796 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.279 -3.248 -6.694 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.429 -1.043 -5.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.303 -4.888 -4.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.976 -2.902 -3.871 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.423 -4.821 -3.605 1.00 0.00 H new ATOM 906 N LYS A 60 -4.668 1.750 -8.574 1.00 0.00 N ATOM 907 CA LYS A 60 -5.531 2.922 -8.574 1.00 0.00 C ATOM 908 C LYS A 60 -6.470 2.874 -7.355 1.00 0.00 C ATOM 909 O LYS A 60 -6.478 1.879 -6.617 1.00 0.00 O ATOM 910 CB LYS A 60 -6.293 2.981 -9.907 1.00 0.00 C ATOM 911 CG LYS A 60 -6.758 1.612 -10.426 1.00 0.00 C ATOM 912 CD LYS A 60 -7.806 1.843 -11.516 1.00 0.00 C ATOM 913 CE LYS A 60 -8.187 0.555 -12.265 1.00 0.00 C ATOM 914 NZ LYS A 60 -9.537 0.646 -12.864 1.00 0.00 N ATOM 0 H LYS A 60 -5.125 0.911 -8.930 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.944 3.836 -8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.163 3.627 -9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.653 3.444 -10.658 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.913 1.050 -10.824 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.179 1.021 -9.613 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.701 2.274 -11.067 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.425 2.573 -12.230 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.454 0.360 -13.048 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.151 -0.290 -11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.208 0.095 -12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.839 1.641 -12.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.514 0.266 -13.832 1.00 0.00 H new ATOM 928 N GLU A 61 -7.298 3.913 -7.166 1.00 0.00 N ATOM 929 CA GLU A 61 -8.267 4.075 -6.073 1.00 0.00 C ATOM 930 C GLU A 61 -9.497 3.165 -6.230 1.00 0.00 C ATOM 931 O GLU A 61 -10.632 3.569 -5.986 1.00 0.00 O ATOM 932 CB GLU A 61 -8.668 5.558 -5.917 1.00 0.00 C ATOM 933 CG GLU A 61 -9.056 6.244 -7.237 1.00 0.00 C ATOM 934 CD GLU A 61 -7.882 6.972 -7.871 1.00 0.00 C ATOM 935 OE1 GLU A 61 -7.025 6.268 -8.446 1.00 0.00 O ATOM 936 OE2 GLU A 61 -7.841 8.212 -7.704 1.00 0.00 O ATOM 0 H GLU A 61 -7.309 4.706 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.774 3.756 -5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.507 5.626 -5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.838 6.103 -5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.438 5.498 -7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.864 6.952 -7.053 1.00 0.00 H new ATOM 943 N GLU A 62 -9.242 1.911 -6.587 1.00 0.00 N ATOM 944 CA GLU A 62 -10.195 0.825 -6.705 1.00 0.00 C ATOM 945 C GLU A 62 -9.492 -0.403 -6.130 1.00 0.00 C ATOM 946 O GLU A 62 -9.934 -1.034 -5.172 1.00 0.00 O ATOM 947 CB GLU A 62 -10.542 0.585 -8.185 1.00 0.00 C ATOM 948 CG GLU A 62 -10.934 1.838 -8.985 1.00 0.00 C ATOM 949 CD GLU A 62 -11.123 1.487 -10.457 1.00 0.00 C ATOM 950 OE1 GLU A 62 -11.145 0.279 -10.785 1.00 0.00 O ATOM 951 OE2 GLU A 62 -11.047 2.390 -11.315 1.00 0.00 O ATOM 0 H GLU A 62 -8.295 1.610 -6.817 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.125 1.045 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.684 0.119 -8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.364 -0.129 -8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.855 2.261 -8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.162 2.600 -8.882 1.00 0.00 H new ATOM 958 N THR A 63 -8.328 -0.704 -6.707 1.00 0.00 N ATOM 959 CA THR A 63 -7.520 -1.837 -6.335 1.00 0.00 C ATOM 960 C THR A 63 -6.937 -1.620 -4.941 1.00 0.00 C ATOM 961 O THR A 63 -6.929 -2.539 -4.129 1.00 0.00 O ATOM 962 CB THR A 63 -6.459 -2.024 -7.425 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.844 -0.785 -7.743 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.122 -2.527 -8.712 1.00 0.00 C ATOM 0 H THR A 63 -7.923 -0.148 -7.460 1.00 0.00 H new ATOM 0 HA THR A 63 -8.104 -2.755 -6.271 1.00 0.00 H new ATOM 0 HB THR A 63 -5.722 -2.734 -7.049 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.389 -0.433 -6.950 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.364 -2.659 -9.484 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.613 -3.481 -8.519 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.861 -1.800 -9.049 1.00 0.00 H new ATOM 972 N LEU A 64 -6.475 -0.397 -4.645 1.00 0.00 N ATOM 973 CA LEU A 64 -6.026 -0.064 -3.303 1.00 0.00 C ATOM 974 C LEU A 64 -7.151 -0.241 -2.284 1.00 0.00 C ATOM 975 O LEU A 64 -6.920 -0.801 -1.217 1.00 0.00 O ATOM 976 CB LEU A 64 -5.482 1.369 -3.265 1.00 0.00 C ATOM 977 CG LEU A 64 -3.944 1.417 -3.320 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.474 1.980 -4.655 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.393 2.281 -2.185 1.00 0.00 C ATOM 0 H LEU A 64 -6.406 0.367 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.223 -0.750 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.890 1.932 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.825 1.861 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.572 0.398 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.385 2.006 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.837 1.347 -5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.864 2.990 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.305 2.303 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.782 3.295 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.699 1.862 -1.227 1.00 0.00 H new ATOM 991 N MET A 65 -8.359 0.236 -2.597 1.00 0.00 N ATOM 992 CA MET A 65 -9.512 0.099 -1.736 1.00 0.00 C ATOM 993 C MET A 65 -9.727 -1.381 -1.417 1.00 0.00 C ATOM 994 O MET A 65 -9.704 -1.775 -0.253 1.00 0.00 O ATOM 995 CB MET A 65 -10.730 0.714 -2.436 1.00 0.00 C ATOM 996 CG MET A 65 -10.544 2.209 -2.746 1.00 0.00 C ATOM 997 SD MET A 65 -10.730 3.338 -1.348 1.00 0.00 S ATOM 998 CE MET A 65 -12.475 3.047 -1.040 1.00 0.00 C ATOM 0 H MET A 65 -8.554 0.732 -3.467 1.00 0.00 H new ATOM 0 HA MET A 65 -9.359 0.626 -0.794 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.921 0.176 -3.364 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.610 0.584 -1.806 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.551 2.350 -3.172 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.263 2.492 -3.514 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.911 3.924 -0.561 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.985 2.858 -1.985 1.00 0.00 H new ATOM 0 HE3 MET A 65 -12.590 2.182 -0.387 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.905 -2.206 -2.452 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.167 -3.630 -2.279 1.00 0.00 C ATOM 1010 C GLU A 66 -9.067 -4.291 -1.429 1.00 0.00 C ATOM 1011 O GLU A 66 -9.352 -5.014 -0.473 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.326 -4.280 -3.660 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.086 -5.613 -3.583 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.158 -6.318 -4.934 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -11.081 -5.609 -5.961 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.238 -7.564 -4.914 1.00 0.00 O ATOM 0 H GLU A 66 -9.871 -1.905 -3.426 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.097 -3.775 -1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.857 -3.597 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.342 -4.448 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.597 -6.266 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.096 -5.432 -3.216 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.801 -4.011 -1.758 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.642 -4.534 -1.043 1.00 0.00 C ATOM 1025 C TYR A 67 -6.722 -4.181 0.435 1.00 0.00 C ATOM 1026 O TYR A 67 -6.814 -5.071 1.265 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.366 -3.990 -1.695 1.00 0.00 C ATOM 1028 CG TYR A 67 -4.057 -4.593 -1.217 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.894 -5.988 -1.192 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.940 -3.771 -0.983 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.656 -6.566 -0.879 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.687 -4.352 -0.729 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.540 -5.747 -0.678 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.328 -6.317 -0.451 1.00 0.00 O ATOM 0 H TYR A 67 -7.554 -3.405 -2.541 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.625 -5.622 -1.107 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.440 -4.143 -2.772 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.328 -2.914 -1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.736 -6.625 -1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.046 -2.696 -0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.564 -7.639 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.827 -3.718 -0.571 1.00 0.00 H new ATOM 0 HH TYR A 67 0.083 -5.907 0.338 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.697 -2.899 0.790 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.691 -2.513 2.198 1.00 0.00 C ATOM 1046 C LEU A 68 -7.939 -3.009 2.940 1.00 0.00 C ATOM 1047 O LEU A 68 -7.847 -3.345 4.119 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.484 -1.000 2.363 1.00 0.00 C ATOM 1049 CG LEU A 68 -5.014 -0.535 2.343 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.177 -1.198 3.441 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.331 -0.738 0.989 1.00 0.00 C ATOM 0 H LEU A 68 -6.681 -2.119 0.132 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.839 -3.009 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.022 -0.486 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.935 -0.688 3.305 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.063 0.537 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.150 -0.837 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.595 -0.950 4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.189 -2.279 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.300 -0.390 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.343 -1.797 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.863 -0.172 0.224 1.00 0.00 H new ATOM 1063 N GLU A 69 -9.093 -3.077 2.267 1.00 0.00 N ATOM 1064 CA GLU A 69 -10.305 -3.630 2.859 1.00 0.00 C ATOM 1065 C GLU A 69 -10.137 -5.136 3.121 1.00 0.00 C ATOM 1066 O GLU A 69 -10.703 -5.657 4.083 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.519 -3.341 1.954 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.874 -3.390 2.692 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.244 -2.043 3.308 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -12.375 -1.448 3.977 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.333 -1.514 2.998 1.00 0.00 O ATOM 0 H GLU A 69 -9.208 -2.753 1.307 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.484 -3.148 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.397 -2.356 1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.533 -4.065 1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.654 -3.696 1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.832 -4.147 3.475 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.414 -5.863 2.254 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.356 -7.323 2.301 1.00 0.00 C ATOM 1080 C ASN A 70 -8.122 -7.870 1.552 1.00 0.00 C ATOM 1081 O ASN A 70 -8.250 -8.478 0.493 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.682 -7.856 1.720 1.00 0.00 C ATOM 1083 CG ASN A 70 -11.447 -8.741 2.695 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -11.632 -9.931 2.458 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.917 -8.163 3.796 1.00 0.00 N ATOM 0 H ASN A 70 -8.857 -5.452 1.505 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.241 -7.667 3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.311 -7.013 1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.473 -8.422 0.812 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.448 -8.711 4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.746 -7.172 3.964 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.896 -7.712 2.070 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.697 -7.901 1.264 1.00 0.00 C ATOM 1094 C PRO A 71 -5.399 -9.377 1.005 1.00 0.00 C ATOM 1095 O PRO A 71 -5.113 -9.764 -0.127 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.571 -7.160 1.988 1.00 0.00 C ATOM 1097 CG PRO A 71 -5.064 -7.025 3.427 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.589 -7.142 3.363 1.00 0.00 C ATOM 0 HA PRO A 71 -5.823 -7.490 0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.635 -7.716 1.940 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.385 -6.184 1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.639 -7.804 4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.764 -6.068 3.854 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.965 -7.775 4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.060 -6.166 3.480 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.524 -10.217 2.038 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.418 -11.667 1.914 1.00 0.00 C ATOM 1108 C LYS A 72 -6.467 -12.254 0.955 1.00 0.00 C ATOM 1109 O LYS A 72 -6.321 -13.401 0.538 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.526 -12.300 3.312 1.00 0.00 C ATOM 1111 CG LYS A 72 -4.235 -12.093 4.120 1.00 0.00 C ATOM 1112 CD LYS A 72 -4.463 -12.253 5.634 1.00 0.00 C ATOM 1113 CE LYS A 72 -4.655 -13.697 6.116 1.00 0.00 C ATOM 1114 NZ LYS A 72 -3.367 -14.401 6.287 1.00 0.00 N ATOM 0 H LYS A 72 -5.703 -9.902 2.991 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.447 -11.903 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.367 -11.861 3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.730 -13.366 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.483 -12.810 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.837 -11.098 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.612 -11.821 6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.341 -11.673 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.195 -13.694 7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.272 -14.239 5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.543 -15.373 6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.862 -14.427 5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.788 -13.899 6.990 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.523 -11.500 0.618 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.502 -11.909 -0.379 1.00 0.00 C ATOM 1130 C LYS A 73 -8.074 -11.385 -1.753 1.00 0.00 C ATOM 1131 O LYS A 73 -8.049 -12.147 -2.717 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.894 -11.408 0.032 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.042 -12.027 -0.774 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.359 -13.457 -0.304 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.383 -14.156 -1.209 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.693 -13.473 -1.221 1.00 0.00 N ATOM 0 H LYS A 73 -7.716 -10.589 1.034 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.554 -12.996 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.049 -11.623 1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.927 -10.324 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.932 -11.406 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.778 -12.041 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.439 -14.042 -0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.742 -13.425 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.992 -14.201 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.517 -15.184 -0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.351 -13.995 -1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.074 -13.437 -0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.577 -12.505 -1.584 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.737 -10.093 -1.851 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.295 -9.461 -3.082 1.00 0.00 C ATOM 1152 C TYR A 74 -6.129 -10.218 -3.732 1.00 0.00 C ATOM 1153 O TYR A 74 -6.051 -10.303 -4.963 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.872 -8.031 -2.741 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.649 -7.147 -3.948 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.770 -6.769 -4.700 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.359 -6.797 -4.393 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.611 -6.146 -5.943 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.199 -6.170 -5.644 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.327 -5.879 -6.430 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.175 -5.675 -7.763 1.00 0.00 O ATOM 0 H TYR A 74 -7.767 -9.453 -1.057 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.112 -9.468 -3.804 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.636 -7.579 -2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.954 -8.065 -2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.762 -6.960 -4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.497 -7.008 -3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.478 -5.872 -6.525 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.212 -5.913 -5.998 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.045 -5.752 -8.207 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.202 -10.716 -2.905 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.046 -11.498 -3.324 1.00 0.00 C ATOM 1173 C ILE A 75 -4.014 -12.810 -2.526 1.00 0.00 C ATOM 1174 O ILE A 75 -3.935 -12.768 -1.297 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.762 -10.670 -3.132 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.697 -9.620 -4.251 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.518 -11.564 -3.229 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.740 -8.471 -3.953 1.00 0.00 C ATOM 0 H ILE A 75 -5.242 -10.578 -1.895 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.116 -11.748 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.782 -10.201 -2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.391 -10.106 -5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.696 -9.216 -4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.623 -10.958 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.560 -12.331 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.487 -12.039 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.745 -7.768 -4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.057 -7.959 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.732 -8.863 -3.815 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.037 -13.977 -3.195 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.048 -15.270 -2.531 1.00 0.00 C ATOM 1192 C PRO A 76 -2.660 -15.595 -1.965 1.00 0.00 C ATOM 1193 O PRO A 76 -1.918 -16.389 -2.537 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.495 -16.264 -3.609 1.00 0.00 C ATOM 1195 CG PRO A 76 -3.941 -15.651 -4.893 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.097 -14.151 -4.641 1.00 0.00 C ATOM 0 HA PRO A 76 -4.721 -15.302 -1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.092 -17.261 -3.431 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.580 -16.361 -3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.900 -15.928 -5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.500 -15.975 -5.771 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.305 -13.588 -5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.044 -13.785 -5.039 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.319 -14.994 -0.824 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.099 -15.304 -0.085 1.00 0.00 C ATOM 1206 C GLY A 77 -0.034 -14.235 -0.307 1.00 0.00 C ATOM 1207 O GLY A 77 1.058 -14.510 -0.798 1.00 0.00 O ATOM 0 H GLY A 77 -2.889 -14.271 -0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.324 -15.381 0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.716 -16.274 -0.401 1.00 0.00 H new ATOM 1211 N THR A 78 -0.367 -13.009 0.088 1.00 0.00 N ATOM 1212 CA THR A 78 0.532 -11.872 0.097 1.00 0.00 C ATOM 1213 C THR A 78 1.499 -11.997 1.285 1.00 0.00 C ATOM 1214 O THR A 78 1.158 -12.561 2.325 1.00 0.00 O ATOM 1215 CB THR A 78 -0.302 -10.572 0.114 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.461 -9.484 0.562 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.537 -10.627 1.022 1.00 0.00 C ATOM 0 H THR A 78 -1.303 -12.778 0.421 1.00 0.00 H new ATOM 0 HA THR A 78 1.146 -11.844 -0.803 1.00 0.00 H new ATOM 0 HB THR A 78 -0.623 -10.455 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.041 -8.648 0.270 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.065 -9.675 0.976 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.199 -11.426 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.225 -10.819 2.049 1.00 0.00 H new ATOM 1225 N LYS A 79 2.700 -11.438 1.128 1.00 0.00 N ATOM 1226 CA LYS A 79 3.693 -11.251 2.179 1.00 0.00 C ATOM 1227 C LYS A 79 3.343 -10.045 3.062 1.00 0.00 C ATOM 1228 O LYS A 79 4.071 -9.742 4.004 1.00 0.00 O ATOM 1229 CB LYS A 79 5.063 -11.003 1.532 1.00 0.00 C ATOM 1230 CG LYS A 79 6.244 -11.424 2.416 1.00 0.00 C ATOM 1231 CD LYS A 79 6.566 -12.901 2.165 1.00 0.00 C ATOM 1232 CE LYS A 79 7.506 -13.446 3.249 1.00 0.00 C ATOM 1233 NZ LYS A 79 7.932 -14.830 2.959 1.00 0.00 N ATOM 0 H LYS A 79 3.018 -11.089 0.224 1.00 0.00 H new ATOM 0 HA LYS A 79 3.711 -12.147 2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.114 -11.547 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.157 -9.943 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.116 -10.808 2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.000 -11.267 3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.644 -13.482 2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.029 -13.015 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.383 -12.804 3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.003 -13.415 4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.566 -15.163 3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.097 -15.447 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.434 -14.855 2.049 1.00 0.00 H new ATOM 1247 N MET A 80 2.258 -9.334 2.753 1.00 0.00 N ATOM 1248 CA MET A 80 1.855 -8.134 3.457 1.00 0.00 C ATOM 1249 C MET A 80 1.509 -8.378 4.921 1.00 0.00 C ATOM 1250 O MET A 80 1.685 -7.512 5.772 1.00 0.00 O ATOM 1251 CB MET A 80 0.711 -7.498 2.683 1.00 0.00 C ATOM 1252 CG MET A 80 0.195 -6.223 3.331 1.00 0.00 C ATOM 1253 SD MET A 80 0.229 -4.796 2.230 1.00 0.00 S ATOM 1254 CE MET A 80 -1.431 -4.104 2.477 1.00 0.00 C ATOM 0 H MET A 80 1.629 -9.587 1.991 1.00 0.00 H new ATOM 0 HA MET A 80 2.700 -7.447 3.498 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.044 -7.275 1.669 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.107 -8.214 2.600 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.828 -6.385 3.672 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.795 -6.005 4.215 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.520 -3.168 1.926 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.177 -4.811 2.114 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.593 -3.918 3.539 1.00 0.00 H new ATOM 1264 N ILE A 81 0.999 -9.572 5.196 1.00 0.00 N ATOM 1265 CA ILE A 81 0.569 -10.010 6.514 1.00 0.00 C ATOM 1266 C ILE A 81 -0.379 -8.964 7.116 1.00 0.00 C ATOM 1267 O ILE A 81 -0.076 -8.297 8.102 1.00 0.00 O ATOM 1268 CB ILE A 81 1.803 -10.321 7.383 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.785 -11.296 6.701 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.433 -10.860 8.775 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.348 -12.766 6.722 1.00 0.00 C ATOM 0 H ILE A 81 0.870 -10.287 4.480 1.00 0.00 H new ATOM 0 HA ILE A 81 0.000 -10.938 6.455 1.00 0.00 H new ATOM 0 HB ILE A 81 2.302 -9.360 7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.922 -10.987 5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.756 -11.213 7.189 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.343 -11.061 9.341 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.832 -10.120 9.304 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.861 -11.782 8.668 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.099 -13.376 6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.240 -13.099 7.754 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.393 -12.869 6.206 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.549 -8.815 6.493 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.563 -7.853 6.888 1.00 0.00 C ATOM 1285 C PHE A 82 -3.920 -8.453 6.522 1.00 0.00 C ATOM 1286 O PHE A 82 -3.948 -9.404 5.744 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.279 -6.520 6.181 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.558 -5.314 7.042 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.666 -5.002 8.085 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.695 -4.516 6.824 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -1.917 -3.903 8.922 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -3.946 -3.420 7.665 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.068 -3.123 8.720 1.00 0.00 C ATOM 0 H PHE A 82 -1.818 -9.374 5.684 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.558 -7.647 7.958 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.236 -6.499 5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.885 -6.460 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.787 -5.609 8.242 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.372 -4.745 6.014 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.229 -3.658 9.717 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.817 -2.803 7.500 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.278 -2.293 9.378 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.028 -7.963 7.087 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.327 -8.634 6.959 1.00 0.00 C ATOM 1305 C ALA A 83 -7.501 -7.654 6.959 1.00 0.00 C ATOM 1306 O ALA A 83 -8.383 -7.742 6.111 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.489 -9.660 8.085 1.00 0.00 C ATOM 0 H ALA A 83 -5.052 -7.105 7.637 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.341 -9.137 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.454 -10.157 7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.691 -10.400 8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.437 -9.154 9.049 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.517 -6.735 7.921 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.491 -5.664 8.030 1.00 0.00 C ATOM 1315 C GLY A 84 -7.784 -4.523 8.749 1.00 0.00 C ATOM 1316 O GLY A 84 -6.643 -4.706 9.177 1.00 0.00 O ATOM 0 H GLY A 84 -6.825 -6.719 8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.837 -5.350 7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.369 -5.991 8.587 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.426 -3.356 8.862 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.758 -2.154 9.332 1.00 0.00 C ATOM 1322 C ILE A 85 -8.558 -1.489 10.456 1.00 0.00 C ATOM 1323 O ILE A 85 -8.076 -1.426 11.584 1.00 0.00 O ATOM 1324 CB ILE A 85 -7.404 -1.276 8.118 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -6.505 -0.125 8.567 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -8.600 -0.782 7.294 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -5.834 0.601 7.400 1.00 0.00 C ATOM 0 H ILE A 85 -9.411 -3.226 8.632 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.805 -2.379 9.811 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.867 -1.920 7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.097 0.589 9.139 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.737 -0.512 9.237 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.243 -0.173 6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.152 -1.638 6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.256 -0.184 7.927 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.209 1.407 7.784 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.216 -0.102 6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.598 1.016 6.742 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.784 -1.037 10.170 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.744 -0.572 11.165 1.00 0.00 C ATOM 1341 C LYS A 86 -12.141 -1.021 10.745 1.00 0.00 C ATOM 1342 O LYS A 86 -12.726 -1.906 11.364 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.704 0.961 11.289 1.00 0.00 C ATOM 1344 CG LYS A 86 -9.521 1.474 12.114 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.748 1.426 13.632 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.286 2.786 14.109 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.546 2.813 15.562 1.00 0.00 N ATOM 0 H LYS A 86 -10.140 -0.985 9.216 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.488 -0.997 12.136 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.658 1.398 10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.632 1.305 11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.638 0.883 11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.307 2.502 11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.455 0.635 13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.815 1.192 14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.567 3.566 13.857 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.207 3.017 13.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.907 3.750 15.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.252 2.088 15.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.663 2.620 16.076 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.679 -0.387 9.700 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.040 -0.615 9.236 1.00 0.00 C ATOM 1363 C LYS A 87 -14.230 -0.003 7.851 1.00 0.00 C ATOM 1364 O LYS A 87 -14.697 -0.682 6.944 1.00 0.00 O ATOM 1365 CB LYS A 87 -15.044 -0.031 10.250 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.518 -0.164 9.831 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.972 -1.629 9.676 1.00 0.00 C ATOM 1368 CE LYS A 87 -17.618 -1.868 8.300 1.00 0.00 C ATOM 1369 NZ LYS A 87 -17.791 -3.305 8.001 1.00 0.00 N ATOM 0 H LYS A 87 -12.172 0.306 9.150 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.222 -1.687 9.157 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.905 -0.530 11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.816 1.024 10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.146 0.328 10.573 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.670 0.359 8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.116 -2.293 9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.684 -1.877 10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.589 -1.373 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.000 -1.411 7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.229 -3.414 7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.863 -3.775 8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.402 -3.738 8.722 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.897 1.285 7.711 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.916 1.985 6.432 1.00 0.00 C ATOM 1385 C LYS A 88 -13.062 3.250 6.510 1.00 0.00 C ATOM 1386 O LYS A 88 -12.191 3.452 5.675 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.353 2.257 5.948 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.177 3.218 6.817 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.654 3.136 6.399 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.495 4.293 6.961 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.273 5.558 6.226 1.00 0.00 N ATOM 0 H LYS A 88 -13.605 1.872 8.493 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.471 1.339 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.306 2.661 4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.883 1.306 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -16.070 2.958 7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.810 4.238 6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.720 3.139 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.072 2.189 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -19.551 4.028 6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.251 4.439 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.861 6.309 6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.271 5.827 6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.531 5.429 5.227 1.00 0.00 H new ATOM 1405 N THR A 89 -13.287 4.074 7.540 1.00 0.00 N ATOM 1406 CA THR A 89 -12.660 5.370 7.754 1.00 0.00 C ATOM 1407 C THR A 89 -11.152 5.340 7.503 1.00 0.00 C ATOM 1408 O THR A 89 -10.639 6.126 6.712 1.00 0.00 O ATOM 1409 CB THR A 89 -13.003 5.803 9.186 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.361 5.477 9.429 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.767 7.297 9.421 1.00 0.00 C ATOM 0 H THR A 89 -13.946 3.836 8.281 1.00 0.00 H new ATOM 0 HA THR A 89 -13.043 6.095 7.036 1.00 0.00 H new ATOM 0 HB THR A 89 -12.344 5.276 9.876 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.603 5.743 10.340 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.026 7.549 10.450 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.718 7.532 9.243 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.390 7.875 8.738 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.449 4.396 8.137 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.008 4.270 7.970 1.00 0.00 C ATOM 1421 C GLU A 90 -8.660 3.980 6.512 1.00 0.00 C ATOM 1422 O GLU A 90 -7.751 4.578 5.949 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.457 3.213 8.935 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.000 3.525 9.304 1.00 0.00 C ATOM 1425 CD GLU A 90 -6.542 2.840 10.589 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -7.111 3.166 11.650 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -5.607 2.015 10.508 1.00 0.00 O ATOM 0 H GLU A 90 -10.860 3.710 8.770 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.528 5.216 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.068 3.183 9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.518 2.226 8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.351 3.216 8.485 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.883 4.603 9.414 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.450 3.133 5.857 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.306 2.821 4.444 1.00 0.00 C ATOM 1436 C ARG A 91 -9.901 3.940 3.570 1.00 0.00 C ATOM 1437 O ARG A 91 -10.191 3.724 2.397 1.00 0.00 O ATOM 1438 CB ARG A 91 -9.944 1.443 4.228 1.00 0.00 C ATOM 1439 CG ARG A 91 -9.612 0.738 2.901 1.00 0.00 C ATOM 1440 CD ARG A 91 -10.678 0.859 1.805 1.00 0.00 C ATOM 1441 NE ARG A 91 -12.024 0.668 2.347 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.006 1.572 2.449 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -12.751 2.865 2.228 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.228 1.156 2.789 1.00 0.00 N ATOM 0 H ARG A 91 -10.221 2.637 6.304 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.261 2.771 4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.638 0.792 5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.026 1.553 4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.675 1.143 2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.443 -0.319 3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.609 1.840 1.335 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.489 0.119 1.028 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.240 -0.268 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.807 3.164 1.981 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.500 3.553 2.306 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.399 0.166 2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.991 1.828 2.872 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.079 5.146 4.115 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.490 6.340 3.419 1.00 0.00 C ATOM 1460 C GLU A 92 -9.441 7.424 3.678 1.00 0.00 C ATOM 1461 O GLU A 92 -9.067 8.160 2.770 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.875 6.759 3.941 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.745 7.237 2.777 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.333 6.057 2.006 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.955 5.178 2.650 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -13.124 6.032 0.779 1.00 0.00 O ATOM 0 H GLU A 92 -9.928 5.311 5.110 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.566 6.175 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.354 5.919 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.770 7.554 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.551 7.865 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.150 7.854 2.104 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.033 7.600 4.935 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.971 8.491 5.379 1.00 0.00 C ATOM 1475 C ASP A 93 -6.678 8.068 4.709 1.00 0.00 C ATOM 1476 O ASP A 93 -6.046 8.820 3.976 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.809 8.400 6.909 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.955 9.000 7.707 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -9.385 10.113 7.335 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.368 8.349 8.688 1.00 0.00 O ATOM 0 H ASP A 93 -9.461 7.095 5.711 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.218 9.519 5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.701 7.352 7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.884 8.903 7.193 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.281 6.828 4.959 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.023 6.290 4.496 1.00 0.00 C ATOM 1487 C LEU A 94 -4.956 6.330 2.968 1.00 0.00 C ATOM 1488 O LEU A 94 -3.991 6.822 2.384 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.891 4.876 5.059 1.00 0.00 C ATOM 1490 CG LEU A 94 -3.443 4.539 5.361 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.386 3.097 5.846 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -2.547 4.762 4.143 1.00 0.00 C ATOM 0 H LEU A 94 -6.836 6.163 5.497 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.182 6.888 4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.485 4.787 5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.293 4.158 4.344 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.064 5.203 6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.354 2.829 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.992 2.992 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.772 2.436 5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.518 4.510 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.883 4.128 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.600 5.807 3.839 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.022 5.880 2.305 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.073 5.859 0.849 1.00 0.00 C ATOM 1506 C ILE A 95 -6.088 7.290 0.297 1.00 0.00 C ATOM 1507 O ILE A 95 -5.855 7.489 -0.895 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.271 5.016 0.360 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.311 3.616 1.001 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.272 4.876 -1.173 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.061 2.776 0.736 1.00 0.00 C ATOM 0 H ILE A 95 -6.863 5.524 2.759 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.174 5.378 0.463 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.164 5.557 0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.442 3.724 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.183 3.080 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.128 4.277 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.336 5.864 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.352 4.388 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.166 1.805 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.938 2.635 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.186 3.289 1.137 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.318 8.296 1.150 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.310 9.678 0.727 1.00 0.00 C ATOM 1525 C ALA A 96 -4.872 10.165 0.858 1.00 0.00 C ATOM 1526 O ALA A 96 -4.337 10.731 -0.093 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.338 10.480 1.529 1.00 0.00 C ATOM 0 H ALA A 96 -6.512 8.164 2.143 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.617 9.808 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.324 11.520 1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.332 10.063 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.092 10.430 2.590 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.209 9.870 1.989 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.785 10.138 2.129 1.00 0.00 C ATOM 1535 C TYR A 97 -2.034 9.594 0.936 1.00 0.00 C ATOM 1536 O TYR A 97 -1.273 10.332 0.324 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.145 9.537 3.387 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.606 9.598 3.377 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.045 10.735 2.855 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.189 8.526 3.831 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.443 10.854 2.881 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.598 8.639 3.837 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.227 9.801 3.369 1.00 0.00 C ATOM 1544 OH TYR A 97 3.579 9.971 3.458 1.00 0.00 O ATOM 0 H TYR A 97 -4.642 9.448 2.811 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.711 11.223 2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.517 10.067 4.264 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.460 8.498 3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.545 11.531 2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.280 7.616 4.175 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.915 11.758 2.525 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.197 7.820 4.207 1.00 0.00 H new ATOM 0 HH TYR A 97 4.026 9.107 3.340 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.197 8.310 0.615 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.376 7.736 -0.439 1.00 0.00 C ATOM 1556 C LEU A 98 -1.583 8.442 -1.773 1.00 0.00 C ATOM 1557 O LEU A 98 -0.671 8.448 -2.597 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.535 6.220 -0.533 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.195 5.534 0.796 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.277 4.017 0.603 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.176 5.922 1.370 1.00 0.00 C ATOM 0 H LEU A 98 -2.863 7.673 1.052 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.336 7.910 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.559 5.978 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.886 5.833 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.925 5.878 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.037 3.517 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.286 3.744 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.566 3.709 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.340 5.394 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.958 5.651 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.205 6.997 1.548 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.725 9.109 -1.963 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.976 9.855 -3.193 1.00 0.00 C ATOM 1575 C LYS A 99 -2.148 11.147 -3.297 1.00 0.00 C ATOM 1576 O LYS A 99 -2.186 11.814 -4.328 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.492 10.055 -3.388 1.00 0.00 C ATOM 1578 CG LYS A 99 -4.919 9.285 -4.642 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.427 9.063 -4.781 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.185 10.327 -5.202 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.461 9.980 -5.861 1.00 0.00 N ATOM 0 H LYS A 99 -3.485 9.146 -1.283 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.621 9.259 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.038 9.695 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.725 11.114 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.564 9.824 -5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.422 8.315 -4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.606 8.278 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.825 8.708 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.380 10.948 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.569 10.917 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.730 10.739 -6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.349 9.090 -6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.203 9.866 -5.142 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.372 11.472 -2.257 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.391 12.550 -2.213 1.00 0.00 C ATOM 1597 C LYS A 100 1.015 12.010 -1.892 1.00 0.00 C ATOM 1598 O LYS A 100 1.998 12.541 -2.402 1.00 0.00 O ATOM 1599 CB LYS A 100 -0.901 13.667 -1.277 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.247 13.778 0.109 1.00 0.00 C ATOM 1601 CD LYS A 100 1.023 14.647 0.068 1.00 0.00 C ATOM 1602 CE LYS A 100 1.526 14.981 1.478 1.00 0.00 C ATOM 1603 NZ LYS A 100 2.827 15.679 1.441 1.00 0.00 N ATOM 0 H LYS A 100 -1.418 10.958 -1.377 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.278 13.009 -3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.772 14.621 -1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.972 13.525 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.959 14.206 0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.004 12.782 0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.805 14.124 -0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.815 15.570 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.792 15.605 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.622 14.063 2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.774 16.542 2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.567 15.054 1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.057 15.933 0.459 1.00 0.00 H new ATOM 1617 N ALA A 101 1.131 10.948 -1.078 1.00 0.00 N ATOM 1618 CA ALA A 101 2.387 10.264 -0.769 1.00 0.00 C ATOM 1619 C ALA A 101 3.123 9.919 -2.059 1.00 0.00 C ATOM 1620 O ALA A 101 4.329 10.100 -2.182 1.00 0.00 O ATOM 1621 CB ALA A 101 2.127 8.976 0.015 1.00 0.00 C ATOM 0 H ALA A 101 0.328 10.534 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 101 2.996 10.934 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.075 8.485 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.619 9.215 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.501 8.309 -0.578 1.00 0.00 H new ATOM 1627 N THR A 102 2.356 9.424 -3.029 1.00 0.00 N ATOM 1628 CA THR A 102 2.862 8.979 -4.318 1.00 0.00 C ATOM 1629 C THR A 102 3.254 10.136 -5.245 1.00 0.00 C ATOM 1630 O THR A 102 3.717 9.891 -6.357 1.00 0.00 O ATOM 1631 CB THR A 102 1.783 8.093 -4.945 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.547 8.773 -5.021 1.00 0.00 O ATOM 1633 CG2 THR A 102 1.630 6.822 -4.100 1.00 0.00 C ATOM 0 H THR A 102 1.346 9.321 -2.935 1.00 0.00 H new ATOM 0 HA THR A 102 3.786 8.421 -4.170 1.00 0.00 H new ATOM 0 HB THR A 102 2.085 7.834 -5.960 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.030 8.603 -4.206 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.863 6.184 -4.539 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.578 6.285 -4.075 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.340 7.093 -3.085 1.00 0.00 H new ATOM 1641 N ASN A 103 3.041 11.381 -4.807 1.00 0.00 N ATOM 1642 CA ASN A 103 3.299 12.597 -5.564 1.00 0.00 C ATOM 1643 C ASN A 103 4.389 13.457 -4.909 1.00 0.00 C ATOM 1644 O ASN A 103 5.069 14.202 -5.613 1.00 0.00 O ATOM 1645 CB ASN A 103 1.987 13.384 -5.682 1.00 0.00 C ATOM 1646 CG ASN A 103 2.089 14.568 -6.640 1.00 0.00 C ATOM 1647 OD1 ASN A 103 2.771 14.514 -7.657 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.367 15.649 -6.349 1.00 0.00 N ATOM 0 H ASN A 103 2.669 11.570 -3.876 1.00 0.00 H new ATOM 0 HA ASN A 103 3.666 12.327 -6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.197 12.715 -6.022 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.696 13.745 -4.696 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.375 16.452 -6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.806 15.674 -5.497 1.00 0.00 H new ATOM 1655 N GLU A 104 4.517 13.419 -3.574 1.00 0.00 N ATOM 1656 CA GLU A 104 5.430 14.307 -2.858 1.00 0.00 C ATOM 1657 C GLU A 104 6.912 14.004 -3.112 1.00 0.00 C ATOM 1658 O GLU A 104 7.283 12.906 -3.573 1.00 0.00 O ATOM 1659 CB GLU A 104 5.087 14.367 -1.361 1.00 0.00 C ATOM 1660 CG GLU A 104 5.072 13.015 -0.629 1.00 0.00 C ATOM 1661 CD GLU A 104 5.394 13.170 0.850 1.00 0.00 C ATOM 1662 OE1 GLU A 104 4.537 13.776 1.537 1.00 0.00 O ATOM 1663 OE2 GLU A 104 6.481 12.718 1.263 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.752 14.896 -2.846 1.00 0.00 O ATOM 0 H GLU A 104 3.997 12.780 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 104 5.276 15.304 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.807 15.019 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.107 14.831 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.092 12.552 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.796 12.344 -1.090 1.00 0.00 H new