USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 702 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 46 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 59 THR OG1 : rot -130:sc= 0 USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= -0.507 USER MOD Set 2.2: A 58 TYR OH : rot 15:sc= -0.628 USER MOD Set 3.1: A 1 MET CE :methyl 154:sc= -0.998 (180deg=-3.31!) USER MOD Set 3.2: A 9 SER OG : rot -128:sc= 1.16 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.508) USER MOD Single : A 8 GLN : amide:sc= -1.55 K(o=-1.6,f=-2.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -145:sc= 1.18 USER MOD Single : A 22 MET CE :methyl 178:sc= 0 (180deg=-0.0119) USER MOD Single : A 23 CYS SG : rot -78:sc= -0.55! USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.0532 X(o=-0.053,f=0) USER MOD Single : A 33 SER OG : rot -98:sc= 1.16 USER MOD Single : A 34 CYS SG : rot 66:sc= 0.776 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 33:sc= 0.0151 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0934) USER MOD Single : A 62 GLN : amide:sc= -0.889 K(o=-0.89,f=-8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.843 K(o=-0.84,f=-5.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -50:sc= 0.485 USER MOD Single : A 75 HIS : no HD1:sc= -2.01 K(o=-2,f=-0.5) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -159:sc=0.000261 USER MOD Single : A 83 LYS NZ :NH3+ 161:sc= -0.01 (180deg=-0.126) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.441 7.587 -6.338 1.00 0.00 N ATOM 2 CA MET A 1 -4.486 6.236 -5.723 1.00 0.00 C ATOM 3 C MET A 1 -4.652 6.325 -4.209 1.00 0.00 C ATOM 4 O MET A 1 -4.479 7.390 -3.617 1.00 0.00 O ATOM 5 CB MET A 1 -3.190 5.498 -6.070 1.00 0.00 C ATOM 6 CG MET A 1 -3.396 4.028 -6.395 1.00 0.00 C ATOM 7 SD MET A 1 -2.278 3.438 -7.681 1.00 0.00 S ATOM 8 CE MET A 1 -3.179 2.013 -8.286 1.00 0.00 C ATOM 0 H1 MET A 1 -4.328 7.496 -7.368 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.326 8.093 -6.130 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.638 8.120 -5.947 1.00 0.00 H new ATOM 0 HA MET A 1 -5.345 5.692 -6.116 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.720 5.988 -6.923 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.498 5.583 -5.232 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.249 3.436 -5.492 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.426 3.871 -6.715 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.899 1.818 -9.321 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.937 1.143 -7.675 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.250 2.209 -8.231 1.00 0.00 H new ATOM 20 N ARG A 2 -4.988 5.199 -3.588 1.00 0.00 N ATOM 21 CA ARG A 2 -5.177 5.149 -2.143 1.00 0.00 C ATOM 22 C ARG A 2 -4.523 3.904 -1.552 1.00 0.00 C ATOM 23 O ARG A 2 -4.435 2.869 -2.207 1.00 0.00 O ATOM 24 CB ARG A 2 -6.668 5.166 -1.801 1.00 0.00 C ATOM 25 CG ARG A 2 -7.404 6.382 -2.340 1.00 0.00 C ATOM 26 CD ARG A 2 -8.670 5.986 -3.084 1.00 0.00 C ATOM 27 NE ARG A 2 -9.572 7.121 -3.272 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.807 7.013 -3.755 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.292 5.826 -4.099 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.561 8.094 -3.895 1.00 0.00 N ATOM 0 H ARG A 2 -5.135 4.309 -4.063 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.702 6.029 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.133 4.264 -2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.784 5.133 -0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.659 7.048 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.747 6.939 -3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.404 5.569 -4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.185 5.201 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.235 8.050 -3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.717 4.990 -3.994 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.240 5.750 -4.469 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.194 9.009 -3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.508 8.011 -4.265 1.00 0.00 H new ATOM 44 N ILE A 3 -4.071 4.014 -0.308 1.00 0.00 N ATOM 45 CA ILE A 3 -3.426 2.899 0.381 1.00 0.00 C ATOM 46 C ILE A 3 -4.269 1.628 0.300 1.00 0.00 C ATOM 47 O ILE A 3 -3.742 0.519 0.378 1.00 0.00 O ATOM 48 CB ILE A 3 -3.163 3.247 1.861 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.427 2.098 2.571 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.470 3.593 2.561 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.337 1.107 3.273 1.00 0.00 C ATOM 0 H ILE A 3 -4.139 4.867 0.247 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.475 2.718 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.516 4.123 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.824 1.562 1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.739 2.521 3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.270 3.837 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.930 4.450 2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.147 2.740 2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.734 0.332 3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.922 1.625 4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.009 0.651 2.546 1.00 0.00 H new ATOM 63 N ASP A 4 -5.577 1.796 0.145 1.00 0.00 N ATOM 64 CA ASP A 4 -6.484 0.659 0.057 1.00 0.00 C ATOM 65 C ASP A 4 -6.317 -0.080 -1.271 1.00 0.00 C ATOM 66 O ASP A 4 -6.069 -1.282 -1.291 1.00 0.00 O ATOM 67 CB ASP A 4 -7.934 1.122 0.221 1.00 0.00 C ATOM 68 CG ASP A 4 -8.923 -0.026 0.144 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.568 -1.145 0.571 1.00 0.00 O ATOM 70 OD2 ASP A 4 -10.052 0.194 -0.341 1.00 0.00 O ATOM 0 H ASP A 4 -6.032 2.706 0.078 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.236 -0.031 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.044 1.628 1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.169 1.852 -0.554 1.00 0.00 H new ATOM 75 N LYS A 5 -6.469 0.644 -2.375 1.00 0.00 N ATOM 76 CA LYS A 5 -6.346 0.050 -3.705 1.00 0.00 C ATOM 77 C LYS A 5 -4.910 0.113 -4.236 1.00 0.00 C ATOM 78 O LYS A 5 -4.624 -0.397 -5.317 1.00 0.00 O ATOM 79 CB LYS A 5 -7.289 0.756 -4.682 1.00 0.00 C ATOM 80 CG LYS A 5 -8.647 0.083 -4.812 1.00 0.00 C ATOM 81 CD LYS A 5 -8.734 -0.766 -6.071 1.00 0.00 C ATOM 82 CE LYS A 5 -9.947 -0.398 -6.911 1.00 0.00 C ATOM 83 NZ LYS A 5 -9.871 -0.977 -8.281 1.00 0.00 N ATOM 0 H LYS A 5 -6.677 1.642 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.620 -1.001 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.433 1.786 -4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.817 0.796 -5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.829 -0.542 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.429 0.842 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.828 -0.635 -6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.786 -1.820 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.852 -0.752 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.025 0.687 -6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.493 -0.441 -8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.892 -0.923 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.175 -1.971 -8.255 1.00 0.00 H new ATOM 97 N PHE A 6 -4.019 0.759 -3.491 1.00 0.00 N ATOM 98 CA PHE A 6 -2.629 0.900 -3.918 1.00 0.00 C ATOM 99 C PHE A 6 -1.819 -0.375 -3.684 1.00 0.00 C ATOM 100 O PHE A 6 -1.370 -1.017 -4.634 1.00 0.00 O ATOM 101 CB PHE A 6 -1.970 2.071 -3.185 1.00 0.00 C ATOM 102 CG PHE A 6 -0.551 2.326 -3.611 1.00 0.00 C ATOM 103 CD1 PHE A 6 0.477 1.515 -3.161 1.00 0.00 C ATOM 104 CD2 PHE A 6 -0.250 3.375 -4.463 1.00 0.00 C ATOM 105 CE1 PHE A 6 1.783 1.747 -3.551 1.00 0.00 C ATOM 106 CE2 PHE A 6 1.054 3.613 -4.858 1.00 0.00 C ATOM 107 CZ PHE A 6 2.071 2.797 -4.401 1.00 0.00 C ATOM 0 H PHE A 6 -4.232 1.192 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.639 1.092 -4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.559 2.972 -3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.989 1.875 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.256 0.692 -2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.042 4.015 -4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.576 1.108 -3.192 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.277 4.435 -5.522 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.090 2.980 -4.708 1.00 0.00 H new ATOM 117 N LEU A 7 -1.616 -0.724 -2.419 1.00 0.00 N ATOM 118 CA LEU A 7 -0.835 -1.907 -2.066 1.00 0.00 C ATOM 119 C LEU A 7 -1.646 -3.191 -2.212 1.00 0.00 C ATOM 120 O LEU A 7 -1.086 -4.288 -2.212 1.00 0.00 O ATOM 121 CB LEU A 7 -0.311 -1.784 -0.633 1.00 0.00 C ATOM 122 CG LEU A 7 -1.387 -1.608 0.441 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.874 -2.961 0.938 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.854 -0.774 1.595 1.00 0.00 C ATOM 0 H LEU A 7 -1.981 -0.206 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 7 0.004 -1.963 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.272 -2.675 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.371 -0.935 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.233 -1.082 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.639 -2.815 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.295 -3.524 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.037 -3.515 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.632 -0.658 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.009 -1.273 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.557 0.208 1.227 1.00 0.00 H new ATOM 136 N GLN A 8 -2.960 -3.057 -2.327 1.00 0.00 N ATOM 137 CA GLN A 8 -3.833 -4.215 -2.462 1.00 0.00 C ATOM 138 C GLN A 8 -4.042 -4.594 -3.928 1.00 0.00 C ATOM 139 O GLN A 8 -4.416 -5.725 -4.236 1.00 0.00 O ATOM 140 CB GLN A 8 -5.176 -3.932 -1.797 1.00 0.00 C ATOM 141 CG GLN A 8 -5.057 -3.583 -0.321 1.00 0.00 C ATOM 142 CD GLN A 8 -6.393 -3.611 0.395 1.00 0.00 C ATOM 143 OE1 GLN A 8 -7.419 -3.225 -0.166 1.00 0.00 O ATOM 144 NE2 GLN A 8 -6.387 -4.069 1.642 1.00 0.00 N ATOM 0 H GLN A 8 -3.444 -2.159 -2.330 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.352 -5.058 -1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.666 -3.110 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.818 -4.806 -1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.376 -4.285 0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.616 -2.591 -0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.513 -4.379 2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.256 -4.111 2.174 1.00 0.00 H new ATOM 153 N SER A 9 -3.802 -3.645 -4.829 1.00 0.00 N ATOM 154 CA SER A 9 -3.970 -3.893 -6.258 1.00 0.00 C ATOM 155 C SER A 9 -2.667 -4.377 -6.887 1.00 0.00 C ATOM 156 O SER A 9 -2.679 -5.188 -7.814 1.00 0.00 O ATOM 157 CB SER A 9 -4.450 -2.625 -6.966 1.00 0.00 C ATOM 158 OG SER A 9 -3.410 -1.666 -7.058 1.00 0.00 O ATOM 0 H SER A 9 -3.492 -2.701 -4.597 1.00 0.00 H new ATOM 0 HA SER A 9 -4.721 -4.674 -6.377 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.807 -2.876 -7.965 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.294 -2.199 -6.423 1.00 0.00 H new ATOM 0 HG SER A 9 -3.726 -0.806 -6.710 1.00 0.00 H new ATOM 164 N VAL A 10 -1.546 -3.876 -6.378 1.00 0.00 N ATOM 165 CA VAL A 10 -0.235 -4.258 -6.893 1.00 0.00 C ATOM 166 C VAL A 10 -0.055 -5.773 -6.878 1.00 0.00 C ATOM 167 O VAL A 10 0.720 -6.324 -7.661 1.00 0.00 O ATOM 168 CB VAL A 10 0.899 -3.612 -6.077 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.021 -2.131 -6.405 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.670 -3.819 -4.587 1.00 0.00 C ATOM 0 H VAL A 10 -1.519 -3.205 -5.610 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.185 -3.899 -7.921 1.00 0.00 H new ATOM 0 HB VAL A 10 1.837 -4.097 -6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.828 -1.694 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.238 -2.010 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.084 -1.627 -6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.482 -3.356 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.277 -3.364 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.641 -4.886 -4.368 1.00 0.00 H new ATOM 180 N GLY A 11 -0.774 -6.443 -5.983 1.00 0.00 N ATOM 181 CA GLY A 11 -0.677 -7.887 -5.883 1.00 0.00 C ATOM 182 C GLY A 11 0.012 -8.336 -4.610 1.00 0.00 C ATOM 183 O GLY A 11 0.588 -9.423 -4.558 1.00 0.00 O ATOM 0 H GLY A 11 -1.422 -6.011 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.677 -8.319 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -0.130 -8.272 -6.744 1.00 0.00 H new ATOM 187 N LEU A 12 -0.047 -7.498 -3.580 1.00 0.00 N ATOM 188 CA LEU A 12 0.576 -7.814 -2.301 1.00 0.00 C ATOM 189 C LEU A 12 -0.414 -8.509 -1.372 1.00 0.00 C ATOM 190 O LEU A 12 -0.184 -9.636 -0.932 1.00 0.00 O ATOM 191 CB LEU A 12 1.111 -6.540 -1.642 1.00 0.00 C ATOM 192 CG LEU A 12 2.635 -6.381 -1.685 1.00 0.00 C ATOM 193 CD1 LEU A 12 3.028 -5.235 -2.604 1.00 0.00 C ATOM 194 CD2 LEU A 12 3.189 -6.156 -0.285 1.00 0.00 C ATOM 0 H LEU A 12 -0.520 -6.595 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 12 1.408 -8.493 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.657 -5.678 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.788 -6.524 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 12 3.064 -7.301 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.114 -5.138 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.666 -5.436 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.587 -4.308 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.272 -6.045 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.751 -5.252 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.941 -7.009 0.346 1.00 0.00 H new ATOM 206 N VAL A 13 -1.518 -7.829 -1.075 1.00 0.00 N ATOM 207 CA VAL A 13 -2.542 -8.381 -0.198 1.00 0.00 C ATOM 208 C VAL A 13 -3.891 -8.453 -0.904 1.00 0.00 C ATOM 209 O VAL A 13 -4.435 -7.435 -1.332 1.00 0.00 O ATOM 210 CB VAL A 13 -2.693 -7.546 1.087 1.00 0.00 C ATOM 211 CG1 VAL A 13 -1.567 -7.853 2.062 1.00 0.00 C ATOM 212 CG2 VAL A 13 -2.734 -6.060 0.759 1.00 0.00 C ATOM 0 H VAL A 13 -1.725 -6.895 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.219 -9.388 0.068 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.636 -7.816 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.692 -7.253 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.591 -8.911 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.609 -7.616 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.841 -5.487 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.810 -5.772 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.581 -5.855 0.104 1.00 0.00 H new ATOM 222 N LYS A 14 -4.426 -9.664 -1.024 1.00 0.00 N ATOM 223 CA LYS A 14 -5.713 -9.870 -1.679 1.00 0.00 C ATOM 224 C LYS A 14 -6.710 -10.524 -0.725 1.00 0.00 C ATOM 225 O LYS A 14 -7.318 -11.545 -1.047 1.00 0.00 O ATOM 226 CB LYS A 14 -5.540 -10.736 -2.929 1.00 0.00 C ATOM 227 CG LYS A 14 -4.962 -9.981 -4.115 1.00 0.00 C ATOM 228 CD LYS A 14 -4.771 -10.893 -5.317 1.00 0.00 C ATOM 229 CE LYS A 14 -5.973 -10.851 -6.247 1.00 0.00 C ATOM 230 NZ LYS A 14 -5.566 -10.724 -7.673 1.00 0.00 N ATOM 0 H LYS A 14 -3.988 -10.517 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.104 -8.896 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.888 -11.577 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.508 -11.152 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.626 -9.159 -4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.005 -9.540 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.877 -10.593 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.609 -11.916 -4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.564 -11.757 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.613 -10.011 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.414 -10.699 -8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.023 -9.846 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.976 -11.538 -7.940 1.00 0.00 H new ATOM 244 N ARG A 15 -6.871 -9.928 0.452 1.00 0.00 N ATOM 245 CA ARG A 15 -7.793 -10.451 1.454 1.00 0.00 C ATOM 246 C ARG A 15 -8.500 -9.316 2.189 1.00 0.00 C ATOM 247 O ARG A 15 -8.118 -8.152 2.070 1.00 0.00 O ATOM 248 CB ARG A 15 -7.043 -11.335 2.453 1.00 0.00 C ATOM 249 CG ARG A 15 -7.805 -12.592 2.845 1.00 0.00 C ATOM 250 CD ARG A 15 -7.199 -13.251 4.075 1.00 0.00 C ATOM 251 NE ARG A 15 -6.506 -14.493 3.743 1.00 0.00 N ATOM 252 CZ ARG A 15 -5.589 -15.062 4.523 1.00 0.00 C ATOM 253 NH1 ARG A 15 -5.254 -14.506 5.681 1.00 0.00 N ATOM 254 NH2 ARG A 15 -5.007 -16.192 4.144 1.00 0.00 N ATOM 0 H ARG A 15 -6.375 -9.083 0.735 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.546 -11.051 0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.083 -11.621 2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.830 -10.755 3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.847 -12.340 3.042 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.799 -13.297 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.501 -12.561 4.549 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.986 -13.457 4.801 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.738 -14.951 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.700 -13.638 5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.551 -14.947 6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.262 -16.624 3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.304 -16.629 4.741 1.00 0.00 H new ATOM 268 N ARG A 16 -9.531 -9.664 2.951 1.00 0.00 N ATOM 269 CA ARG A 16 -10.293 -8.677 3.709 1.00 0.00 C ATOM 270 C ARG A 16 -10.954 -7.667 2.775 1.00 0.00 C ATOM 271 O ARG A 16 -10.406 -6.597 2.512 1.00 0.00 O ATOM 272 CB ARG A 16 -9.381 -7.953 4.705 1.00 0.00 C ATOM 273 CG ARG A 16 -9.820 -8.108 6.152 1.00 0.00 C ATOM 274 CD ARG A 16 -9.552 -9.512 6.672 1.00 0.00 C ATOM 275 NE ARG A 16 -8.561 -9.518 7.747 1.00 0.00 N ATOM 276 CZ ARG A 16 -7.893 -10.601 8.133 1.00 0.00 C ATOM 277 NH1 ARG A 16 -8.104 -11.768 7.537 1.00 0.00 N ATOM 278 NH2 ARG A 16 -7.010 -10.518 9.119 1.00 0.00 N ATOM 0 H ARG A 16 -9.859 -10.624 3.061 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.075 -9.200 4.259 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.365 -8.334 4.599 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.351 -6.893 4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.293 -7.383 6.772 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.884 -7.885 6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.483 -9.948 7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.203 -10.141 5.853 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.371 -8.640 8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.782 -11.838 6.778 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.588 -12.595 7.838 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.844 -9.624 9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.497 -11.348 9.416 1.00 0.00 H new ATOM 292 N VAL A 17 -12.137 -8.015 2.280 1.00 0.00 N ATOM 293 CA VAL A 17 -12.876 -7.139 1.378 1.00 0.00 C ATOM 294 C VAL A 17 -14.068 -6.504 2.085 1.00 0.00 C ATOM 295 O VAL A 17 -15.086 -6.203 1.461 1.00 0.00 O ATOM 296 CB VAL A 17 -13.376 -7.902 0.135 1.00 0.00 C ATOM 297 CG1 VAL A 17 -13.917 -6.932 -0.908 1.00 0.00 C ATOM 298 CG2 VAL A 17 -12.265 -8.764 -0.451 1.00 0.00 C ATOM 0 H VAL A 17 -12.605 -8.897 2.488 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.186 -6.357 1.060 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.189 -8.560 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.265 -7.490 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.747 -6.367 -0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.127 -6.245 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.639 -9.294 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.427 -8.130 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.933 -9.486 0.295 1.00 0.00 H new ATOM 308 N LEU A 18 -13.935 -6.302 3.392 1.00 0.00 N ATOM 309 CA LEU A 18 -15.000 -5.700 4.187 1.00 0.00 C ATOM 310 C LEU A 18 -14.603 -4.306 4.658 1.00 0.00 C ATOM 311 O LEU A 18 -14.269 -4.104 5.827 1.00 0.00 O ATOM 312 CB LEU A 18 -15.328 -6.587 5.391 1.00 0.00 C ATOM 313 CG LEU A 18 -16.504 -6.113 6.244 1.00 0.00 C ATOM 314 CD1 LEU A 18 -17.824 -6.532 5.614 1.00 0.00 C ATOM 315 CD2 LEU A 18 -16.390 -6.661 7.659 1.00 0.00 C ATOM 0 H LEU A 18 -13.100 -6.547 3.924 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.886 -5.612 3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.541 -7.594 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -14.444 -6.655 6.025 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.477 -5.024 6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.650 -6.186 6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.909 -6.092 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.861 -7.618 5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.235 -6.314 8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.391 -7.751 7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -15.462 -6.312 8.111 1.00 0.00 H new ATOM 327 N ALA A 19 -14.637 -3.345 3.739 1.00 0.00 N ATOM 328 CA ALA A 19 -14.278 -1.968 4.058 1.00 0.00 C ATOM 329 C ALA A 19 -12.824 -1.863 4.511 1.00 0.00 C ATOM 330 O ALA A 19 -12.430 -0.879 5.135 1.00 0.00 O ATOM 331 CB ALA A 19 -15.207 -1.415 5.129 1.00 0.00 C ATOM 0 H ALA A 19 -14.910 -3.495 2.768 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.389 -1.374 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.928 -0.386 5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -16.235 -1.440 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -15.125 -2.022 6.031 1.00 0.00 H new ATOM 337 N THR A 20 -12.028 -2.883 4.192 1.00 0.00 N ATOM 338 CA THR A 20 -10.617 -2.902 4.565 1.00 0.00 C ATOM 339 C THR A 20 -10.440 -2.651 6.061 1.00 0.00 C ATOM 340 O THR A 20 -10.466 -1.508 6.516 1.00 0.00 O ATOM 341 CB THR A 20 -9.841 -1.856 3.762 1.00 0.00 C ATOM 342 OG1 THR A 20 -10.006 -2.069 2.372 1.00 0.00 O ATOM 343 CG2 THR A 20 -8.356 -1.859 4.053 1.00 0.00 C ATOM 0 H THR A 20 -12.338 -3.706 3.676 1.00 0.00 H new ATOM 0 HA THR A 20 -10.222 -3.892 4.336 1.00 0.00 H new ATOM 0 HB THR A 20 -10.253 -0.894 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.178 -1.832 1.904 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.866 -1.094 3.451 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.192 -1.649 5.110 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.939 -2.836 3.808 1.00 0.00 H new ATOM 351 N ASP A 21 -10.257 -3.728 6.818 1.00 0.00 N ATOM 352 CA ASP A 21 -10.076 -3.626 8.263 1.00 0.00 C ATOM 353 C ASP A 21 -8.685 -3.098 8.611 1.00 0.00 C ATOM 354 O ASP A 21 -8.443 -2.662 9.736 1.00 0.00 O ATOM 355 CB ASP A 21 -10.293 -4.991 8.920 1.00 0.00 C ATOM 356 CG ASP A 21 -11.036 -4.886 10.238 1.00 0.00 C ATOM 357 OD1 ASP A 21 -10.902 -3.844 10.913 1.00 0.00 O ATOM 358 OD2 ASP A 21 -11.752 -5.845 10.593 1.00 0.00 O ATOM 0 H ASP A 21 -10.230 -4.681 6.456 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.814 -2.920 8.644 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.853 -5.633 8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.328 -5.468 9.087 1.00 0.00 H new ATOM 363 N MET A 22 -7.771 -3.140 7.643 1.00 0.00 N ATOM 364 CA MET A 22 -6.408 -2.665 7.856 1.00 0.00 C ATOM 365 C MET A 22 -6.401 -1.244 8.412 1.00 0.00 C ATOM 366 O MET A 22 -5.517 -0.874 9.184 1.00 0.00 O ATOM 367 CB MET A 22 -5.617 -2.720 6.546 1.00 0.00 C ATOM 368 CG MET A 22 -4.644 -3.885 6.471 1.00 0.00 C ATOM 369 SD MET A 22 -3.245 -3.554 5.384 1.00 0.00 S ATOM 370 CE MET A 22 -2.304 -5.066 5.574 1.00 0.00 C ATOM 0 H MET A 22 -7.951 -3.498 6.705 1.00 0.00 H new ATOM 0 HA MET A 22 -5.934 -3.319 8.588 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.316 -2.787 5.712 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.065 -1.788 6.425 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.276 -4.111 7.472 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.171 -4.771 6.118 1.00 0.00 H new ATOM 0 HE1 MET A 22 -1.423 -5.029 4.934 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.993 -5.173 6.613 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.923 -5.918 5.291 1.00 0.00 H new ATOM 380 N CYS A 23 -7.393 -0.453 8.016 1.00 0.00 N ATOM 381 CA CYS A 23 -7.499 0.927 8.477 1.00 0.00 C ATOM 382 C CYS A 23 -8.016 0.986 9.912 1.00 0.00 C ATOM 383 O CYS A 23 -7.765 1.952 10.632 1.00 0.00 O ATOM 384 CB CYS A 23 -8.424 1.725 7.554 1.00 0.00 C ATOM 385 SG CYS A 23 -10.150 1.186 7.586 1.00 0.00 S ATOM 0 H CYS A 23 -8.134 -0.743 7.378 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.503 1.369 8.453 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.379 2.777 7.835 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.051 1.651 6.532 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.280 0.104 6.877 1.00 0.00 H new ATOM 391 N ASN A 24 -8.742 -0.050 10.320 1.00 0.00 N ATOM 392 CA ASN A 24 -9.295 -0.112 11.668 1.00 0.00 C ATOM 393 C ASN A 24 -8.296 -0.730 12.643 1.00 0.00 C ATOM 394 O ASN A 24 -8.147 -0.264 13.773 1.00 0.00 O ATOM 395 CB ASN A 24 -10.596 -0.918 11.668 1.00 0.00 C ATOM 396 CG ASN A 24 -11.824 -0.032 11.752 1.00 0.00 C ATOM 397 OD1 ASN A 24 -12.503 0.203 10.753 1.00 0.00 O ATOM 398 ND2 ASN A 24 -12.116 0.464 12.950 1.00 0.00 N ATOM 0 H ASN A 24 -8.961 -0.858 9.737 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.505 0.906 11.995 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.647 -1.520 10.761 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.592 -1.610 12.510 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.931 1.066 13.068 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.525 0.243 13.751 1.00 0.00 H new ATOM 405 N VAL A 25 -7.613 -1.781 12.199 1.00 0.00 N ATOM 406 CA VAL A 25 -6.631 -2.461 13.034 1.00 0.00 C ATOM 407 C VAL A 25 -5.453 -1.547 13.360 1.00 0.00 C ATOM 408 O VAL A 25 -4.889 -1.612 14.452 1.00 0.00 O ATOM 409 CB VAL A 25 -6.101 -3.739 12.355 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.216 -4.759 12.190 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.468 -3.407 11.013 1.00 0.00 C ATOM 0 H VAL A 25 -7.722 -2.179 11.266 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.141 -2.734 13.958 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.334 -4.176 12.994 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.822 -5.654 11.709 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.618 -5.020 13.169 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.009 -4.335 11.574 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.099 -4.322 10.548 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.212 -2.945 10.364 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.638 -2.716 11.163 1.00 0.00 H new ATOM 421 N GLY A 26 -5.088 -0.696 12.406 1.00 0.00 N ATOM 422 CA GLY A 26 -3.980 0.219 12.612 1.00 0.00 C ATOM 423 C GLY A 26 -2.819 -0.051 11.674 1.00 0.00 C ATOM 424 O GLY A 26 -1.667 0.227 12.007 1.00 0.00 O ATOM 0 H GLY A 26 -5.540 -0.624 11.494 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.327 1.242 12.469 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.635 0.140 13.643 1.00 0.00 H new ATOM 428 N ALA A 27 -3.124 -0.593 10.499 1.00 0.00 N ATOM 429 CA ALA A 27 -2.098 -0.900 9.509 1.00 0.00 C ATOM 430 C ALA A 27 -1.998 0.197 8.451 1.00 0.00 C ATOM 431 O ALA A 27 -1.060 0.219 7.655 1.00 0.00 O ATOM 432 CB ALA A 27 -2.387 -2.241 8.852 1.00 0.00 C ATOM 0 H ALA A 27 -4.073 -0.829 10.209 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.139 -0.955 10.025 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.614 -2.459 8.115 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.396 -3.023 9.611 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.358 -2.203 8.359 1.00 0.00 H new ATOM 438 N VAL A 28 -2.969 1.107 8.443 1.00 0.00 N ATOM 439 CA VAL A 28 -2.981 2.199 7.479 1.00 0.00 C ATOM 440 C VAL A 28 -2.453 3.489 8.100 1.00 0.00 C ATOM 441 O VAL A 28 -3.124 4.114 8.921 1.00 0.00 O ATOM 442 CB VAL A 28 -4.401 2.443 6.930 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.412 3.608 5.951 1.00 0.00 C ATOM 444 CG2 VAL A 28 -4.943 1.183 6.275 1.00 0.00 C ATOM 0 H VAL A 28 -3.755 1.108 9.093 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.328 1.906 6.657 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.050 2.701 7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.425 3.760 5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.072 4.512 6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.747 3.388 5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.946 1.374 5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.291 0.892 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.981 0.379 7.010 1.00 0.00 H new ATOM 454 N TRP A 29 -1.249 3.880 7.699 1.00 0.00 N ATOM 455 CA TRP A 29 -0.629 5.097 8.209 1.00 0.00 C ATOM 456 C TRP A 29 0.166 5.792 7.112 1.00 0.00 C ATOM 457 O TRP A 29 1.292 5.403 6.802 1.00 0.00 O ATOM 458 CB TRP A 29 0.281 4.777 9.394 1.00 0.00 C ATOM 459 CG TRP A 29 -0.463 4.588 10.682 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.347 3.592 10.978 1.00 0.00 C ATOM 461 CD2 TRP A 29 -0.387 5.418 11.847 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.827 3.751 12.255 1.00 0.00 N ATOM 463 CE2 TRP A 29 -1.253 4.865 12.810 1.00 0.00 C ATOM 464 CE3 TRP A 29 0.329 6.574 12.170 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -1.421 5.429 14.072 1.00 0.00 C ATOM 466 CZ3 TRP A 29 0.160 7.133 13.424 1.00 0.00 C ATOM 467 CH2 TRP A 29 -0.708 6.560 14.361 1.00 0.00 C ATOM 0 H TRP A 29 -0.682 3.371 7.021 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.419 5.768 8.545 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.847 3.872 9.174 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.004 5.584 9.516 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.628 2.795 10.306 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.501 3.139 12.715 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.002 7.022 11.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.090 4.989 14.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.707 8.027 13.685 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.817 7.020 15.332 1.00 0.00 H new ATOM 478 N LEU A 30 -0.433 6.818 6.524 1.00 0.00 N ATOM 479 CA LEU A 30 0.209 7.569 5.452 1.00 0.00 C ATOM 480 C LEU A 30 1.278 8.510 6.002 1.00 0.00 C ATOM 481 O LEU A 30 0.969 9.476 6.700 1.00 0.00 O ATOM 482 CB LEU A 30 -0.833 8.368 4.667 1.00 0.00 C ATOM 483 CG LEU A 30 -0.352 8.911 3.321 1.00 0.00 C ATOM 484 CD1 LEU A 30 -1.502 8.965 2.326 1.00 0.00 C ATOM 485 CD2 LEU A 30 0.268 10.290 3.495 1.00 0.00 C ATOM 0 H LEU A 30 -1.365 7.151 6.771 1.00 0.00 H new ATOM 0 HA LEU A 30 0.692 6.855 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.702 7.733 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.166 9.205 5.281 1.00 0.00 H new ATOM 0 HG LEU A 30 0.410 8.237 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.141 9.354 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.904 7.962 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.286 9.617 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.605 10.662 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.474 10.973 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.118 10.224 4.174 1.00 0.00 H new ATOM 497 N ASN A 31 2.536 8.222 5.679 1.00 0.00 N ATOM 498 CA ASN A 31 3.654 9.042 6.135 1.00 0.00 C ATOM 499 C ASN A 31 3.616 9.232 7.650 1.00 0.00 C ATOM 500 O ASN A 31 3.799 10.342 8.152 1.00 0.00 O ATOM 501 CB ASN A 31 3.630 10.404 5.437 1.00 0.00 C ATOM 502 CG ASN A 31 5.008 11.030 5.344 1.00 0.00 C ATOM 503 OD1 ASN A 31 5.264 12.083 5.928 1.00 0.00 O ATOM 504 ND2 ASN A 31 5.904 10.384 4.608 1.00 0.00 N ATOM 0 H ASN A 31 2.807 7.425 5.102 1.00 0.00 H new ATOM 0 HA ASN A 31 4.578 8.524 5.879 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.218 10.288 4.435 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.965 11.076 5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.848 10.758 4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.649 9.514 4.141 1.00 0.00 H new ATOM 511 N GLY A 32 3.379 8.143 8.372 1.00 0.00 N ATOM 512 CA GLY A 32 3.321 8.213 9.820 1.00 0.00 C ATOM 513 C GLY A 32 2.089 8.941 10.316 1.00 0.00 C ATOM 514 O GLY A 32 2.167 9.755 11.237 1.00 0.00 O ATOM 0 H GLY A 32 3.226 7.213 7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.332 7.203 10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.212 8.718 10.192 1.00 0.00 H new ATOM 518 N SER A 33 0.946 8.648 9.705 1.00 0.00 N ATOM 519 CA SER A 33 -0.311 9.279 10.089 1.00 0.00 C ATOM 520 C SER A 33 -1.491 8.353 9.811 1.00 0.00 C ATOM 521 O SER A 33 -1.731 7.964 8.668 1.00 0.00 O ATOM 522 CB SER A 33 -0.496 10.598 9.338 1.00 0.00 C ATOM 523 OG SER A 33 -0.980 10.375 8.026 1.00 0.00 O ATOM 0 H SER A 33 0.864 7.977 8.941 1.00 0.00 H new ATOM 0 HA SER A 33 -0.274 9.481 11.159 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.193 11.235 9.882 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.454 11.130 9.293 1.00 0.00 H new ATOM 0 HG SER A 33 -0.232 10.400 7.393 1.00 0.00 H new ATOM 529 N CYS A 34 -2.224 8.003 10.864 1.00 0.00 N ATOM 530 CA CYS A 34 -3.379 7.121 10.736 1.00 0.00 C ATOM 531 C CYS A 34 -4.370 7.659 9.708 1.00 0.00 C ATOM 532 O CYS A 34 -4.748 8.830 9.748 1.00 0.00 O ATOM 533 CB CYS A 34 -4.071 6.955 12.089 1.00 0.00 C ATOM 534 SG CYS A 34 -4.748 5.303 12.375 1.00 0.00 S ATOM 0 H CYS A 34 -2.038 8.317 11.816 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.023 6.149 10.393 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.358 7.186 12.880 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.877 7.684 12.164 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.777 4.442 12.442 1.00 0.00 H new ATOM 540 N ALA A 35 -4.787 6.795 8.788 1.00 0.00 N ATOM 541 CA ALA A 35 -5.733 7.182 7.749 1.00 0.00 C ATOM 542 C ALA A 35 -6.727 6.060 7.466 1.00 0.00 C ATOM 543 O ALA A 35 -6.391 4.880 7.568 1.00 0.00 O ATOM 544 CB ALA A 35 -4.993 7.567 6.478 1.00 0.00 C ATOM 0 H ALA A 35 -4.484 5.822 8.741 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.293 8.047 8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.712 7.854 5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.328 8.406 6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.407 6.718 6.127 1.00 0.00 H new ATOM 550 N LYS A 36 -7.951 6.435 7.110 1.00 0.00 N ATOM 551 CA LYS A 36 -8.993 5.460 6.813 1.00 0.00 C ATOM 552 C LYS A 36 -8.586 4.573 5.638 1.00 0.00 C ATOM 553 O LYS A 36 -7.431 4.582 5.213 1.00 0.00 O ATOM 554 CB LYS A 36 -10.311 6.171 6.500 1.00 0.00 C ATOM 555 CG LYS A 36 -11.524 5.509 7.135 1.00 0.00 C ATOM 556 CD LYS A 36 -12.606 6.526 7.461 1.00 0.00 C ATOM 557 CE LYS A 36 -13.584 6.689 6.307 1.00 0.00 C ATOM 558 NZ LYS A 36 -14.857 5.956 6.548 1.00 0.00 N ATOM 0 H LYS A 36 -8.245 7.407 7.020 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.130 4.829 7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.248 7.203 6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.449 6.204 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.924 4.754 6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.223 4.992 8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.145 6.211 8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.146 7.488 7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.797 7.748 6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.124 6.325 5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.495 6.093 5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.657 4.942 6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.309 6.320 7.411 1.00 0.00 H new ATOM 572 N ALA A 37 -9.543 3.810 5.120 1.00 0.00 N ATOM 573 CA ALA A 37 -9.285 2.919 3.996 1.00 0.00 C ATOM 574 C ALA A 37 -9.684 3.567 2.673 1.00 0.00 C ATOM 575 O ALA A 37 -10.011 2.877 1.708 1.00 0.00 O ATOM 576 CB ALA A 37 -10.026 1.605 4.185 1.00 0.00 C ATOM 0 H ALA A 37 -10.504 3.791 5.461 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.214 2.720 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.825 0.949 3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.688 1.126 5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.097 1.797 4.248 1.00 0.00 H new ATOM 582 N SER A 38 -9.652 4.896 2.635 1.00 0.00 N ATOM 583 CA SER A 38 -10.011 5.634 1.429 1.00 0.00 C ATOM 584 C SER A 38 -9.224 6.937 1.335 1.00 0.00 C ATOM 585 O SER A 38 -9.696 7.917 0.759 1.00 0.00 O ATOM 586 CB SER A 38 -11.512 5.930 1.414 1.00 0.00 C ATOM 587 OG SER A 38 -12.217 4.950 0.672 1.00 0.00 O ATOM 0 H SER A 38 -9.382 5.483 3.424 1.00 0.00 H new ATOM 0 HA SER A 38 -9.761 5.016 0.567 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.890 5.959 2.436 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.687 6.915 0.981 1.00 0.00 H new ATOM 0 HG SER A 38 -11.770 4.083 0.768 1.00 0.00 H new ATOM 593 N LYS A 39 -8.024 6.943 1.905 1.00 0.00 N ATOM 594 CA LYS A 39 -7.176 8.128 1.882 1.00 0.00 C ATOM 595 C LYS A 39 -6.250 8.112 0.671 1.00 0.00 C ATOM 596 O LYS A 39 -5.442 7.199 0.507 1.00 0.00 O ATOM 597 CB LYS A 39 -6.351 8.216 3.168 1.00 0.00 C ATOM 598 CG LYS A 39 -6.038 9.642 3.594 1.00 0.00 C ATOM 599 CD LYS A 39 -6.639 9.965 4.953 1.00 0.00 C ATOM 600 CE LYS A 39 -7.995 10.637 4.817 1.00 0.00 C ATOM 601 NZ LYS A 39 -8.181 11.724 5.817 1.00 0.00 N ATOM 0 H LYS A 39 -7.617 6.142 2.388 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.821 9.004 1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.892 7.716 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.416 7.674 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.958 9.783 3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.425 10.338 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.743 9.048 5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.962 10.617 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.097 11.047 3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.782 9.893 4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.118 12.156 5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.109 11.329 6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.446 12.447 5.684 1.00 0.00 H new ATOM 615 N GLU A 40 -6.374 9.130 -0.175 1.00 0.00 N ATOM 616 CA GLU A 40 -5.548 9.232 -1.372 1.00 0.00 C ATOM 617 C GLU A 40 -4.074 9.381 -1.005 1.00 0.00 C ATOM 618 O GLU A 40 -3.736 9.987 0.012 1.00 0.00 O ATOM 619 CB GLU A 40 -5.999 10.419 -2.228 1.00 0.00 C ATOM 620 CG GLU A 40 -6.333 10.042 -3.661 1.00 0.00 C ATOM 621 CD GLU A 40 -7.595 10.717 -4.164 1.00 0.00 C ATOM 622 OE1 GLU A 40 -8.495 10.979 -3.339 1.00 0.00 O ATOM 623 OE2 GLU A 40 -7.682 10.981 -5.381 1.00 0.00 O ATOM 0 H GLU A 40 -7.038 9.895 -0.054 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.668 8.314 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.875 10.876 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.212 11.173 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.498 10.313 -4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.452 8.961 -3.730 1.00 0.00 H new ATOM 630 N VAL A 41 -3.203 8.824 -1.838 1.00 0.00 N ATOM 631 CA VAL A 41 -1.766 8.894 -1.602 1.00 0.00 C ATOM 632 C VAL A 41 -1.064 9.669 -2.712 1.00 0.00 C ATOM 633 O VAL A 41 -1.650 9.940 -3.760 1.00 0.00 O ATOM 634 CB VAL A 41 -1.143 7.489 -1.501 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.641 6.774 -0.255 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.451 6.679 -2.750 1.00 0.00 C ATOM 0 H VAL A 41 -3.467 8.318 -2.684 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.627 9.414 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.061 7.594 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.191 5.783 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.364 7.348 0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.726 6.678 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.003 5.689 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.531 6.580 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.040 7.186 -3.623 1.00 0.00 H new ATOM 646 N LYS A 42 0.195 10.020 -2.475 1.00 0.00 N ATOM 647 CA LYS A 42 0.980 10.763 -3.454 1.00 0.00 C ATOM 648 C LYS A 42 2.310 10.067 -3.724 1.00 0.00 C ATOM 649 O LYS A 42 2.739 9.207 -2.954 1.00 0.00 O ATOM 650 CB LYS A 42 1.227 12.191 -2.965 1.00 0.00 C ATOM 651 CG LYS A 42 1.637 12.272 -1.503 1.00 0.00 C ATOM 652 CD LYS A 42 0.557 12.925 -0.653 1.00 0.00 C ATOM 653 CE LYS A 42 -0.521 11.928 -0.260 1.00 0.00 C ATOM 654 NZ LYS A 42 -1.498 12.515 0.700 1.00 0.00 N ATOM 0 H LYS A 42 0.694 9.802 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 42 0.414 10.800 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.005 12.646 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.321 12.778 -3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.841 11.270 -1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.563 12.840 -1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.006 13.350 0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.107 13.750 -1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.047 11.592 -1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.057 11.049 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.216 11.803 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.000 12.813 1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.960 13.339 0.265 1.00 0.00 H new ATOM 668 N ALA A 43 2.957 10.445 -4.821 1.00 0.00 N ATOM 669 CA ALA A 43 4.238 9.856 -5.193 1.00 0.00 C ATOM 670 C ALA A 43 5.343 10.302 -4.241 1.00 0.00 C ATOM 671 O ALA A 43 5.366 11.449 -3.794 1.00 0.00 O ATOM 672 CB ALA A 43 4.593 10.227 -6.625 1.00 0.00 C ATOM 0 H ALA A 43 2.616 11.156 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 43 4.147 8.772 -5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.552 9.781 -6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.821 9.855 -7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.661 11.311 -6.714 1.00 0.00 H new ATOM 678 N GLY A 44 6.257 9.388 -3.934 1.00 0.00 N ATOM 679 CA GLY A 44 7.353 9.705 -3.038 1.00 0.00 C ATOM 680 C GLY A 44 6.923 9.738 -1.585 1.00 0.00 C ATOM 681 O GLY A 44 7.508 10.456 -0.773 1.00 0.00 O ATOM 0 H GLY A 44 6.258 8.432 -4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.145 8.967 -3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.773 10.673 -3.311 1.00 0.00 H new ATOM 685 N ASP A 45 5.900 8.958 -1.253 1.00 0.00 N ATOM 686 CA ASP A 45 5.394 8.899 0.114 1.00 0.00 C ATOM 687 C ASP A 45 5.810 7.596 0.789 1.00 0.00 C ATOM 688 O ASP A 45 6.260 6.661 0.128 1.00 0.00 O ATOM 689 CB ASP A 45 3.870 9.034 0.124 1.00 0.00 C ATOM 690 CG ASP A 45 3.414 10.408 0.571 1.00 0.00 C ATOM 691 OD1 ASP A 45 3.967 11.409 0.069 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.505 10.483 1.425 1.00 0.00 O ATOM 0 H ASP A 45 5.405 8.357 -1.912 1.00 0.00 H new ATOM 0 HA ASP A 45 5.825 9.730 0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.484 8.833 -0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.446 8.280 0.787 1.00 0.00 H new ATOM 697 N THR A 46 5.656 7.540 2.109 1.00 0.00 N ATOM 698 CA THR A 46 6.017 6.350 2.869 1.00 0.00 C ATOM 699 C THR A 46 4.772 5.596 3.327 1.00 0.00 C ATOM 700 O THR A 46 4.076 6.026 4.246 1.00 0.00 O ATOM 701 CB THR A 46 6.869 6.732 4.080 1.00 0.00 C ATOM 702 OG1 THR A 46 8.040 7.416 3.672 1.00 0.00 O ATOM 703 CG2 THR A 46 7.298 5.542 4.910 1.00 0.00 C ATOM 0 H THR A 46 5.284 8.304 2.673 1.00 0.00 H new ATOM 0 HA THR A 46 6.596 5.696 2.217 1.00 0.00 H new ATOM 0 HB THR A 46 6.231 7.370 4.692 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.571 7.654 4.460 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.899 5.884 5.753 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.416 5.020 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.889 4.863 4.295 1.00 0.00 H new ATOM 711 N ILE A 47 4.503 4.465 2.684 1.00 0.00 N ATOM 712 CA ILE A 47 3.347 3.646 3.028 1.00 0.00 C ATOM 713 C ILE A 47 3.651 2.757 4.230 1.00 0.00 C ATOM 714 O ILE A 47 4.325 1.735 4.102 1.00 0.00 O ATOM 715 CB ILE A 47 2.914 2.763 1.839 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.686 3.625 0.595 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.655 1.982 2.186 1.00 0.00 C ATOM 718 CD1 ILE A 47 2.243 2.833 -0.616 1.00 0.00 C ATOM 0 H ILE A 47 5.070 4.095 1.921 1.00 0.00 H new ATOM 0 HA ILE A 47 2.532 4.325 3.278 1.00 0.00 H new ATOM 0 HB ILE A 47 3.711 2.050 1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.934 4.381 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.608 4.154 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.364 1.365 1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.849 1.344 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.849 2.677 2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.101 3.508 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.005 2.095 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.304 2.325 -0.395 1.00 0.00 H new ATOM 730 N SER A 48 3.155 3.153 5.397 1.00 0.00 N ATOM 731 CA SER A 48 3.382 2.392 6.620 1.00 0.00 C ATOM 732 C SER A 48 2.389 1.242 6.746 1.00 0.00 C ATOM 733 O SER A 48 1.258 1.329 6.269 1.00 0.00 O ATOM 734 CB SER A 48 3.279 3.305 7.842 1.00 0.00 C ATOM 735 OG SER A 48 3.510 2.584 9.040 1.00 0.00 O ATOM 0 H SER A 48 2.594 3.996 5.522 1.00 0.00 H new ATOM 0 HA SER A 48 4.387 1.973 6.570 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.003 4.115 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.291 3.763 7.875 1.00 0.00 H new ATOM 0 HG SER A 48 3.440 3.191 9.806 1.00 0.00 H new ATOM 741 N LEU A 49 2.823 0.166 7.394 1.00 0.00 N ATOM 742 CA LEU A 49 1.979 -1.005 7.589 1.00 0.00 C ATOM 743 C LEU A 49 2.342 -1.722 8.885 1.00 0.00 C ATOM 744 O LEU A 49 3.517 -1.840 9.230 1.00 0.00 O ATOM 745 CB LEU A 49 2.118 -1.963 6.406 1.00 0.00 C ATOM 746 CG LEU A 49 1.337 -1.558 5.152 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.268 -0.941 4.120 1.00 0.00 C ATOM 748 CD2 LEU A 49 0.609 -2.757 4.564 1.00 0.00 C ATOM 0 H LEU A 49 3.758 0.082 7.794 1.00 0.00 H new ATOM 0 HA LEU A 49 0.944 -0.671 7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.174 -2.047 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.787 -2.953 6.718 1.00 0.00 H new ATOM 0 HG LEU A 49 0.595 -0.812 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.696 -0.659 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.743 -0.055 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.033 -1.665 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.060 -2.449 3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.333 -3.526 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.089 -3.156 5.300 1.00 0.00 H new ATOM 760 N HIS A 50 1.327 -2.192 9.602 1.00 0.00 N ATOM 761 CA HIS A 50 1.547 -2.892 10.864 1.00 0.00 C ATOM 762 C HIS A 50 1.157 -4.363 10.757 1.00 0.00 C ATOM 763 O HIS A 50 0.057 -4.694 10.318 1.00 0.00 O ATOM 764 CB HIS A 50 0.751 -2.221 11.985 1.00 0.00 C ATOM 765 CG HIS A 50 1.517 -2.085 13.264 1.00 0.00 C ATOM 766 ND1 HIS A 50 1.921 -0.870 13.775 1.00 0.00 N ATOM 767 CD2 HIS A 50 1.953 -3.022 14.140 1.00 0.00 C ATOM 768 CE1 HIS A 50 2.573 -1.064 14.907 1.00 0.00 C ATOM 769 NE2 HIS A 50 2.605 -2.361 15.152 1.00 0.00 N ATOM 0 H HIS A 50 0.347 -2.102 9.333 1.00 0.00 H new ATOM 0 HA HIS A 50 2.611 -2.839 11.096 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.435 -1.232 11.653 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.154 -2.799 12.173 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.814 -4.090 14.058 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.006 -0.293 15.527 1.00 0.00 H new ATOM 0 HE2 HIS A 50 3.043 -2.801 15.962 1.00 0.00 H new ATOM 778 N TYR A 51 2.067 -5.239 11.170 1.00 0.00 N ATOM 779 CA TYR A 51 1.822 -6.677 11.131 1.00 0.00 C ATOM 780 C TYR A 51 2.004 -7.291 12.515 1.00 0.00 C ATOM 781 O TYR A 51 2.233 -6.580 13.494 1.00 0.00 O ATOM 782 CB TYR A 51 2.767 -7.354 10.135 1.00 0.00 C ATOM 783 CG TYR A 51 2.559 -6.914 8.704 1.00 0.00 C ATOM 784 CD1 TYR A 51 3.020 -5.679 8.261 1.00 0.00 C ATOM 785 CD2 TYR A 51 1.906 -7.735 7.793 1.00 0.00 C ATOM 786 CE1 TYR A 51 2.833 -5.276 6.953 1.00 0.00 C ATOM 787 CE2 TYR A 51 1.717 -7.339 6.483 1.00 0.00 C ATOM 788 CZ TYR A 51 2.181 -6.109 6.069 1.00 0.00 C ATOM 789 OH TYR A 51 1.994 -5.711 4.764 1.00 0.00 O ATOM 0 H TYR A 51 2.983 -4.978 11.536 1.00 0.00 H new ATOM 0 HA TYR A 51 0.793 -6.837 10.808 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.797 -7.144 10.424 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.633 -8.434 10.197 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.532 -5.025 8.951 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.540 -8.699 8.114 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.196 -4.313 6.625 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.208 -7.990 5.787 1.00 0.00 H new ATOM 0 HH TYR A 51 1.519 -6.413 4.273 1.00 0.00 H new ATOM 799 N LEU A 52 1.900 -8.613 12.592 1.00 0.00 N ATOM 800 CA LEU A 52 2.054 -9.317 13.860 1.00 0.00 C ATOM 801 C LEU A 52 3.528 -9.575 14.169 1.00 0.00 C ATOM 802 O LEU A 52 3.905 -9.751 15.327 1.00 0.00 O ATOM 803 CB LEU A 52 1.287 -10.641 13.832 1.00 0.00 C ATOM 804 CG LEU A 52 1.650 -11.578 12.675 1.00 0.00 C ATOM 805 CD1 LEU A 52 2.453 -12.767 13.181 1.00 0.00 C ATOM 806 CD2 LEU A 52 0.396 -12.049 11.954 1.00 0.00 C ATOM 0 H LEU A 52 1.710 -9.218 11.793 1.00 0.00 H new ATOM 0 HA LEU A 52 1.643 -8.684 14.647 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.462 -11.165 14.772 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.220 -10.424 13.782 1.00 0.00 H new ATOM 0 HG LEU A 52 2.266 -11.024 11.966 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.701 -13.421 12.345 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.371 -12.413 13.650 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.863 -13.320 13.911 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.674 -12.713 11.136 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.246 -12.584 12.653 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.140 -11.188 11.556 1.00 0.00 H new ATOM 818 N LYS A 53 4.355 -9.596 13.129 1.00 0.00 N ATOM 819 CA LYS A 53 5.784 -9.832 13.294 1.00 0.00 C ATOM 820 C LYS A 53 6.552 -8.516 13.392 1.00 0.00 C ATOM 821 O LYS A 53 7.634 -8.460 13.976 1.00 0.00 O ATOM 822 CB LYS A 53 6.324 -10.665 12.130 1.00 0.00 C ATOM 823 CG LYS A 53 6.235 -9.961 10.786 1.00 0.00 C ATOM 824 CD LYS A 53 7.099 -10.647 9.741 1.00 0.00 C ATOM 825 CE LYS A 53 7.106 -9.875 8.431 1.00 0.00 C ATOM 826 NZ LYS A 53 7.859 -8.596 8.544 1.00 0.00 N ATOM 0 H LYS A 53 4.060 -9.452 12.163 1.00 0.00 H new ATOM 0 HA LYS A 53 5.927 -10.382 14.224 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.365 -10.920 12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.770 -11.602 12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.198 -9.946 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.550 -8.923 10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.119 -10.741 10.115 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.729 -11.657 9.567 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.551 -10.491 7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.080 -9.667 8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.986 -8.183 7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.328 -7.932 9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.790 -8.778 8.970 1.00 0.00 H new ATOM 840 N GLY A 54 5.987 -7.458 12.818 1.00 0.00 N ATOM 841 CA GLY A 54 6.637 -6.160 12.855 1.00 0.00 C ATOM 842 C GLY A 54 6.127 -5.220 11.779 1.00 0.00 C ATOM 843 O GLY A 54 5.200 -5.555 11.042 1.00 0.00 O ATOM 0 H GLY A 54 5.092 -7.476 12.329 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.478 -5.706 13.833 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.712 -6.293 12.736 1.00 0.00 H new ATOM 847 N ILE A 55 6.734 -4.040 11.689 1.00 0.00 N ATOM 848 CA ILE A 55 6.336 -3.050 10.696 1.00 0.00 C ATOM 849 C ILE A 55 7.256 -3.084 9.480 1.00 0.00 C ATOM 850 O ILE A 55 8.473 -3.209 9.615 1.00 0.00 O ATOM 851 CB ILE A 55 6.342 -1.627 11.289 1.00 0.00 C ATOM 852 CG1 ILE A 55 5.576 -1.597 12.613 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.745 -0.635 10.302 1.00 0.00 C ATOM 854 CD1 ILE A 55 6.398 -2.051 13.799 1.00 0.00 C ATOM 0 H ILE A 55 7.503 -3.747 12.292 1.00 0.00 H new ATOM 0 HA ILE A 55 5.322 -3.305 10.387 1.00 0.00 H new ATOM 0 HB ILE A 55 7.375 -1.337 11.482 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.221 -0.583 12.795 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.695 -2.233 12.528 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.758 0.364 10.738 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.332 -0.638 9.383 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.717 -0.920 10.077 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.790 -2.003 14.703 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.731 -3.076 13.640 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.266 -1.401 13.911 1.00 0.00 H new ATOM 866 N GLU A 56 6.667 -2.972 8.294 1.00 0.00 N ATOM 867 CA GLU A 56 7.434 -2.988 7.053 1.00 0.00 C ATOM 868 C GLU A 56 7.800 -1.571 6.625 1.00 0.00 C ATOM 869 O GLU A 56 8.973 -1.252 6.432 1.00 0.00 O ATOM 870 CB GLU A 56 6.640 -3.680 5.945 1.00 0.00 C ATOM 871 CG GLU A 56 6.897 -5.176 5.854 1.00 0.00 C ATOM 872 CD GLU A 56 8.291 -5.497 5.350 1.00 0.00 C ATOM 873 OE1 GLU A 56 9.251 -5.382 6.141 1.00 0.00 O ATOM 874 OE2 GLU A 56 8.423 -5.866 4.164 1.00 0.00 O ATOM 0 H GLU A 56 5.660 -2.869 8.166 1.00 0.00 H new ATOM 0 HA GLU A 56 8.354 -3.545 7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.576 -3.512 6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.888 -3.219 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.757 -5.626 6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.161 -5.628 5.189 1.00 0.00 H new ATOM 881 N GLU A 57 6.786 -0.724 6.479 1.00 0.00 N ATOM 882 CA GLU A 57 6.993 0.661 6.074 1.00 0.00 C ATOM 883 C GLU A 57 7.588 0.743 4.673 1.00 0.00 C ATOM 884 O GLU A 57 8.805 0.679 4.498 1.00 0.00 O ATOM 885 CB GLU A 57 7.903 1.379 7.074 1.00 0.00 C ATOM 886 CG GLU A 57 7.145 2.089 8.184 1.00 0.00 C ATOM 887 CD GLU A 57 8.066 2.789 9.164 1.00 0.00 C ATOM 888 OE1 GLU A 57 8.547 3.894 8.839 1.00 0.00 O ATOM 889 OE2 GLU A 57 8.305 2.232 10.255 1.00 0.00 O ATOM 0 H GLU A 57 5.810 -0.974 6.636 1.00 0.00 H new ATOM 0 HA GLU A 57 6.021 1.154 6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.585 0.654 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.514 2.106 6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.465 2.819 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.532 1.365 8.721 1.00 0.00 H new ATOM 896 N TYR A 58 6.719 0.888 3.678 1.00 0.00 N ATOM 897 CA TYR A 58 7.152 0.984 2.290 1.00 0.00 C ATOM 898 C TYR A 58 7.197 2.441 1.839 1.00 0.00 C ATOM 899 O TYR A 58 6.895 3.349 2.612 1.00 0.00 O ATOM 900 CB TYR A 58 6.213 0.186 1.383 1.00 0.00 C ATOM 901 CG TYR A 58 6.017 -1.247 1.825 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.245 -1.552 2.939 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.603 -2.295 1.127 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.063 -2.861 3.345 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.426 -3.606 1.526 1.00 0.00 C ATOM 906 CZ TYR A 58 5.656 -3.883 2.636 1.00 0.00 C ATOM 907 OH TYR A 58 5.476 -5.188 3.037 1.00 0.00 O ATOM 0 H TYR A 58 5.709 0.942 3.808 1.00 0.00 H new ATOM 0 HA TYR A 58 8.156 0.566 2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.244 0.683 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.609 0.193 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.779 -0.753 3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.207 -2.082 0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.459 -3.081 4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.888 -4.409 0.972 1.00 0.00 H new ATOM 0 HH TYR A 58 4.731 -5.235 3.672 1.00 0.00 H new ATOM 917 N THR A 59 7.578 2.656 0.585 1.00 0.00 N ATOM 918 CA THR A 59 7.664 4.004 0.032 1.00 0.00 C ATOM 919 C THR A 59 7.257 4.013 -1.438 1.00 0.00 C ATOM 920 O THR A 59 7.766 3.228 -2.238 1.00 0.00 O ATOM 921 CB THR A 59 9.084 4.554 0.190 1.00 0.00 C ATOM 922 OG1 THR A 59 9.414 4.711 1.558 1.00 0.00 O ATOM 923 CG2 THR A 59 9.292 5.894 -0.485 1.00 0.00 C ATOM 0 H THR A 59 7.832 1.915 -0.068 1.00 0.00 H new ATOM 0 HA THR A 59 6.975 4.643 0.584 1.00 0.00 H new ATOM 0 HB THR A 59 9.728 3.819 -0.292 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.774 5.610 1.706 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.320 6.223 -0.332 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.097 5.798 -1.553 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.609 6.627 -0.056 1.00 0.00 H new ATOM 931 N ILE A 60 6.339 4.908 -1.789 1.00 0.00 N ATOM 932 CA ILE A 60 5.867 5.020 -3.163 1.00 0.00 C ATOM 933 C ILE A 60 6.878 5.763 -4.030 1.00 0.00 C ATOM 934 O ILE A 60 7.291 6.875 -3.705 1.00 0.00 O ATOM 935 CB ILE A 60 4.511 5.750 -3.237 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.520 5.138 -2.244 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.956 5.693 -4.654 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.769 6.170 -1.429 1.00 0.00 C ATOM 0 H ILE A 60 5.908 5.566 -1.140 1.00 0.00 H new ATOM 0 HA ILE A 60 5.744 4.004 -3.538 1.00 0.00 H new ATOM 0 HB ILE A 60 4.663 6.795 -2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.803 4.525 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.058 4.474 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.998 6.212 -4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.656 6.173 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.816 4.653 -4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.084 5.667 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.478 6.768 -0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.203 6.820 -2.097 1.00 0.00 H new ATOM 950 N LEU A 61 7.271 5.138 -5.134 1.00 0.00 N ATOM 951 CA LEU A 61 8.234 5.738 -6.050 1.00 0.00 C ATOM 952 C LEU A 61 7.534 6.566 -7.127 1.00 0.00 C ATOM 953 O LEU A 61 8.165 7.383 -7.798 1.00 0.00 O ATOM 954 CB LEU A 61 9.090 4.650 -6.702 1.00 0.00 C ATOM 955 CG LEU A 61 10.033 3.913 -5.751 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.835 2.862 -6.502 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.961 4.897 -5.054 1.00 0.00 C ATOM 0 H LEU A 61 6.938 4.216 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 61 8.875 6.404 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.429 3.921 -7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.682 5.102 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 61 9.433 3.409 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.501 2.348 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.155 2.140 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.425 3.343 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.626 4.356 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.553 5.429 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.370 5.613 -4.483 1.00 0.00 H new ATOM 969 N GLN A 62 6.230 6.351 -7.289 1.00 0.00 N ATOM 970 CA GLN A 62 5.455 7.081 -8.286 1.00 0.00 C ATOM 971 C GLN A 62 3.986 6.669 -8.245 1.00 0.00 C ATOM 972 O GLN A 62 3.637 5.635 -7.675 1.00 0.00 O ATOM 973 CB GLN A 62 6.025 6.837 -9.686 1.00 0.00 C ATOM 974 CG GLN A 62 5.989 8.065 -10.580 1.00 0.00 C ATOM 975 CD GLN A 62 4.882 8.004 -11.612 1.00 0.00 C ATOM 976 OE1 GLN A 62 3.714 8.242 -11.302 1.00 0.00 O ATOM 977 NE2 GLN A 62 5.242 7.684 -12.849 1.00 0.00 N ATOM 0 H GLN A 62 5.690 5.679 -6.744 1.00 0.00 H new ATOM 0 HA GLN A 62 5.522 8.144 -8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.056 6.494 -9.595 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.463 6.034 -10.163 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.857 8.954 -9.964 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.948 8.168 -11.088 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.221 7.495 -13.062 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.539 7.628 -13.586 1.00 0.00 H new ATOM 986 N ILE A 63 3.132 7.486 -8.851 1.00 0.00 N ATOM 987 CA ILE A 63 1.700 7.209 -8.886 1.00 0.00 C ATOM 988 C ILE A 63 1.173 7.224 -10.320 1.00 0.00 C ATOM 989 O ILE A 63 0.732 8.260 -10.816 1.00 0.00 O ATOM 990 CB ILE A 63 0.909 8.232 -8.050 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.505 8.348 -6.645 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.560 7.839 -7.977 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.411 7.069 -5.842 1.00 0.00 C ATOM 0 H ILE A 63 3.406 8.346 -9.325 1.00 0.00 H new ATOM 0 HA ILE A 63 1.559 6.216 -8.459 1.00 0.00 H new ATOM 0 HB ILE A 63 0.980 9.205 -8.536 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.552 8.641 -6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.992 9.145 -6.106 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.104 8.573 -7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.978 7.805 -8.983 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.651 6.857 -7.513 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.852 7.224 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.364 6.786 -5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.948 6.274 -6.359 1.00 0.00 H new ATOM 1005 N PRO A 64 1.212 6.068 -11.006 1.00 0.00 N ATOM 1006 CA PRO A 64 0.734 5.955 -12.388 1.00 0.00 C ATOM 1007 C PRO A 64 -0.784 6.073 -12.494 1.00 0.00 C ATOM 1008 O PRO A 64 -1.330 6.195 -13.591 1.00 0.00 O ATOM 1009 CB PRO A 64 1.193 4.557 -12.808 1.00 0.00 C ATOM 1010 CG PRO A 64 1.290 3.792 -11.534 1.00 0.00 C ATOM 1011 CD PRO A 64 1.722 4.784 -10.489 1.00 0.00 C ATOM 0 HA PRO A 64 1.122 6.755 -13.018 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.482 4.096 -13.493 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.153 4.593 -13.322 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.331 3.343 -11.274 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.010 2.978 -11.621 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.300 4.548 -9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.806 4.799 -10.373 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.461 6.034 -11.350 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.916 6.136 -11.321 1.00 0.00 C ATOM 1021 C ALA A 65 -3.562 4.970 -12.062 1.00 0.00 C ATOM 1022 O ALA A 65 -4.414 5.167 -12.930 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.364 7.462 -11.917 1.00 0.00 C ATOM 0 H ALA A 65 -1.026 5.933 -10.433 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.240 6.093 -10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.452 7.525 -11.889 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.938 8.283 -11.340 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.023 7.530 -12.950 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.152 3.755 -11.715 1.00 0.00 N ATOM 1030 CA LEU A 66 -3.690 2.556 -12.347 1.00 0.00 C ATOM 1031 C LEU A 66 -4.744 1.900 -11.461 1.00 0.00 C ATOM 1032 O LEU A 66 -5.070 2.406 -10.387 1.00 0.00 O ATOM 1033 CB LEU A 66 -2.567 1.562 -12.645 1.00 0.00 C ATOM 1034 CG LEU A 66 -1.305 2.175 -13.257 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -0.129 1.220 -13.123 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -1.542 2.533 -14.716 1.00 0.00 C ATOM 0 H LEU A 66 -2.448 3.574 -10.999 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.162 2.851 -13.284 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.294 1.057 -11.719 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.948 0.799 -13.324 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.066 3.089 -12.714 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.759 1.673 -13.564 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.054 1.014 -12.068 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.356 0.288 -13.641 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.635 2.968 -15.136 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.805 1.634 -15.273 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.356 3.254 -14.786 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.272 0.768 -11.917 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.289 0.041 -11.166 1.00 0.00 C ATOM 1050 C LYS A 67 -5.725 -1.262 -10.609 1.00 0.00 C ATOM 1051 O LYS A 67 -6.138 -1.725 -9.546 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.500 -0.249 -12.057 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.827 0.140 -11.424 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.439 1.353 -12.107 1.00 0.00 C ATOM 1055 CE LYS A 67 -10.955 1.346 -12.003 1.00 0.00 C ATOM 1056 NZ LYS A 67 -11.583 2.262 -12.994 1.00 0.00 N ATOM 0 H LYS A 67 -5.012 0.335 -12.803 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.605 0.664 -10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.385 0.288 -12.999 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.519 -1.312 -12.296 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.519 -0.700 -11.484 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.677 0.355 -10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.047 2.263 -11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.145 1.367 -13.157 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.325 0.333 -12.160 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.251 1.642 -10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.617 2.229 -12.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.250 3.233 -12.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.321 1.965 -13.956 1.00 0.00 H new ATOM 1070 N ASN A 68 -4.780 -1.850 -11.335 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.158 -3.100 -10.914 1.00 0.00 C ATOM 1072 C ASN A 68 -2.821 -3.308 -11.620 1.00 0.00 C ATOM 1073 O ASN A 68 -2.729 -3.191 -12.841 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.090 -4.279 -11.205 1.00 0.00 C ATOM 1075 CG ASN A 68 -5.513 -4.336 -12.659 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -5.432 -3.342 -13.381 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -5.968 -5.504 -13.098 1.00 0.00 N ATOM 0 H ASN A 68 -4.428 -1.481 -12.218 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.976 -3.044 -9.841 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.588 -5.209 -10.939 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.976 -4.203 -10.574 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.267 -5.603 -14.068 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.018 -6.302 -12.465 1.00 0.00 H new ATOM 1084 N VAL A 69 -1.790 -3.616 -10.841 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.458 -3.840 -11.391 1.00 0.00 C ATOM 1086 C VAL A 69 -0.087 -5.322 -11.346 1.00 0.00 C ATOM 1087 O VAL A 69 0.242 -5.853 -10.286 1.00 0.00 O ATOM 1088 CB VAL A 69 0.609 -3.035 -10.624 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.949 -3.105 -11.341 1.00 0.00 C ATOM 1090 CG2 VAL A 69 0.164 -1.591 -10.447 1.00 0.00 C ATOM 0 H VAL A 69 -1.851 -3.716 -9.828 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.483 -3.503 -12.427 1.00 0.00 H new ATOM 0 HB VAL A 69 0.730 -3.477 -9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.690 -2.531 -10.785 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.271 -4.144 -11.409 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.847 -2.690 -12.344 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.930 -1.038 -9.903 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.012 -1.134 -11.425 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.770 -1.564 -9.886 1.00 0.00 H new ATOM 1100 N PRO A 70 -0.136 -6.014 -12.500 1.00 0.00 N ATOM 1101 CA PRO A 70 0.198 -7.440 -12.579 1.00 0.00 C ATOM 1102 C PRO A 70 1.528 -7.765 -11.908 1.00 0.00 C ATOM 1103 O PRO A 70 2.243 -6.869 -11.458 1.00 0.00 O ATOM 1104 CB PRO A 70 0.278 -7.701 -14.083 1.00 0.00 C ATOM 1105 CG PRO A 70 -0.620 -6.681 -14.692 1.00 0.00 C ATOM 1106 CD PRO A 70 -0.520 -5.463 -13.815 1.00 0.00 C ATOM 0 HA PRO A 70 -0.536 -8.059 -12.063 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.300 -7.598 -14.449 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.048 -8.712 -14.327 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.315 -6.452 -15.713 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.647 -7.044 -14.740 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.225 -4.760 -14.188 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.467 -4.927 -13.764 1.00 0.00 H new ATOM 1114 N ARG A 71 1.855 -9.052 -11.846 1.00 0.00 N ATOM 1115 CA ARG A 71 3.101 -9.495 -11.231 1.00 0.00 C ATOM 1116 C ARG A 71 4.270 -9.354 -12.201 1.00 0.00 C ATOM 1117 O ARG A 71 4.716 -10.334 -12.797 1.00 0.00 O ATOM 1118 CB ARG A 71 2.983 -10.945 -10.764 1.00 0.00 C ATOM 1119 CG ARG A 71 2.342 -11.852 -11.792 1.00 0.00 C ATOM 1120 CD ARG A 71 2.925 -13.255 -11.743 1.00 0.00 C ATOM 1121 NE ARG A 71 2.540 -14.049 -12.908 1.00 0.00 N ATOM 1122 CZ ARG A 71 1.353 -14.635 -13.046 1.00 0.00 C ATOM 1123 NH1 ARG A 71 0.434 -14.520 -12.097 1.00 0.00 N ATOM 1124 NH2 ARG A 71 1.085 -15.339 -14.138 1.00 0.00 N ATOM 0 H ARG A 71 1.275 -9.806 -12.214 1.00 0.00 H new ATOM 0 HA ARG A 71 3.291 -8.859 -10.366 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.976 -11.324 -10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.398 -10.977 -9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.267 -11.898 -11.617 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.485 -11.433 -12.788 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.012 -13.194 -11.689 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.588 -13.756 -10.835 1.00 0.00 H new ATOM 0 HE ARG A 71 3.221 -14.161 -13.659 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.635 -13.980 -11.255 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.474 -14.971 -12.209 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.788 -15.431 -14.871 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.176 -15.788 -14.245 1.00 0.00 H new ATOM 1138 N LYS A 72 4.760 -8.128 -12.353 1.00 0.00 N ATOM 1139 CA LYS A 72 5.877 -7.857 -13.250 1.00 0.00 C ATOM 1140 C LYS A 72 6.457 -6.470 -12.991 1.00 0.00 C ATOM 1141 O LYS A 72 7.639 -6.329 -12.678 1.00 0.00 O ATOM 1142 CB LYS A 72 5.427 -7.969 -14.708 1.00 0.00 C ATOM 1143 CG LYS A 72 6.523 -8.442 -15.649 1.00 0.00 C ATOM 1144 CD LYS A 72 7.538 -7.341 -15.921 1.00 0.00 C ATOM 1145 CE LYS A 72 8.910 -7.698 -15.372 1.00 0.00 C ATOM 1146 NZ LYS A 72 9.854 -6.549 -15.445 1.00 0.00 N ATOM 0 H LYS A 72 4.401 -7.307 -11.866 1.00 0.00 H new ATOM 0 HA LYS A 72 6.653 -8.598 -13.058 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.586 -8.659 -14.768 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.066 -6.997 -15.044 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.028 -9.305 -15.216 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.080 -8.770 -16.589 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.609 -7.168 -16.995 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.196 -6.410 -15.470 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.813 -8.023 -14.336 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.318 -8.539 -15.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.778 -6.834 -15.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.967 -6.255 -16.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.478 -5.755 -14.889 1.00 0.00 H new ATOM 1160 N ASP A 73 5.617 -5.450 -13.123 1.00 0.00 N ATOM 1161 CA ASP A 73 6.044 -4.073 -12.902 1.00 0.00 C ATOM 1162 C ASP A 73 5.562 -3.567 -11.546 1.00 0.00 C ATOM 1163 O ASP A 73 5.299 -2.378 -11.375 1.00 0.00 O ATOM 1164 CB ASP A 73 5.514 -3.168 -14.015 1.00 0.00 C ATOM 1165 CG ASP A 73 6.042 -3.560 -15.380 1.00 0.00 C ATOM 1166 OD1 ASP A 73 7.264 -3.427 -15.605 1.00 0.00 O ATOM 1167 OD2 ASP A 73 5.234 -4.000 -16.226 1.00 0.00 O ATOM 0 H ASP A 73 4.636 -5.550 -13.382 1.00 0.00 H new ATOM 0 HA ASP A 73 7.134 -4.049 -12.913 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.425 -3.209 -14.025 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.793 -2.136 -13.804 1.00 0.00 H new ATOM 1172 N THR A 74 5.450 -4.479 -10.588 1.00 0.00 N ATOM 1173 CA THR A 74 4.999 -4.127 -9.247 1.00 0.00 C ATOM 1174 C THR A 74 6.183 -3.945 -8.301 1.00 0.00 C ATOM 1175 O THR A 74 6.061 -4.150 -7.094 1.00 0.00 O ATOM 1176 CB THR A 74 4.060 -5.206 -8.703 1.00 0.00 C ATOM 1177 OG1 THR A 74 3.714 -4.938 -7.356 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.653 -6.597 -8.756 1.00 0.00 C ATOM 0 H THR A 74 5.665 -5.468 -10.715 1.00 0.00 H new ATOM 0 HA THR A 74 4.460 -3.182 -9.310 1.00 0.00 H new ATOM 0 HB THR A 74 3.183 -5.177 -9.349 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.527 -4.756 -6.840 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.936 -7.314 -8.356 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.885 -6.855 -9.789 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.566 -6.626 -8.161 1.00 0.00 H new ATOM 1186 N HIS A 75 7.326 -3.557 -8.856 1.00 0.00 N ATOM 1187 CA HIS A 75 8.529 -3.347 -8.059 1.00 0.00 C ATOM 1188 C HIS A 75 9.183 -2.004 -8.384 1.00 0.00 C ATOM 1189 O HIS A 75 10.338 -1.766 -8.028 1.00 0.00 O ATOM 1190 CB HIS A 75 9.526 -4.484 -8.292 1.00 0.00 C ATOM 1191 CG HIS A 75 10.075 -4.528 -9.684 1.00 0.00 C ATOM 1192 ND1 HIS A 75 11.066 -5.404 -10.076 1.00 0.00 N ATOM 1193 CD2 HIS A 75 9.767 -3.796 -10.782 1.00 0.00 C ATOM 1194 CE1 HIS A 75 11.345 -5.208 -11.352 1.00 0.00 C ATOM 1195 NE2 HIS A 75 10.570 -4.240 -11.804 1.00 0.00 N ATOM 0 H HIS A 75 7.445 -3.382 -9.854 1.00 0.00 H new ATOM 0 HA HIS A 75 8.236 -3.337 -7.009 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.352 -4.381 -7.588 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.038 -5.434 -8.073 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.028 -3.010 -10.842 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.082 -5.748 -11.928 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.568 -3.880 -12.758 1.00 0.00 H new ATOM 1204 N LEU A 76 8.443 -1.130 -9.061 1.00 0.00 N ATOM 1205 CA LEU A 76 8.960 0.184 -9.428 1.00 0.00 C ATOM 1206 C LEU A 76 8.055 1.304 -8.913 1.00 0.00 C ATOM 1207 O LEU A 76 8.323 2.482 -9.147 1.00 0.00 O ATOM 1208 CB LEU A 76 9.105 0.291 -10.948 1.00 0.00 C ATOM 1209 CG LEU A 76 10.369 -0.351 -11.523 1.00 0.00 C ATOM 1210 CD1 LEU A 76 10.263 -0.474 -13.036 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.600 0.455 -11.137 1.00 0.00 C ATOM 0 H LEU A 76 7.486 -1.308 -9.366 1.00 0.00 H new ATOM 0 HA LEU A 76 9.939 0.297 -8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.236 -0.172 -11.414 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.092 1.345 -11.226 1.00 0.00 H new ATOM 0 HG LEU A 76 10.469 -1.352 -11.103 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.171 -0.933 -13.428 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.404 -1.094 -13.291 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.139 0.516 -13.474 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.489 -0.017 -11.555 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.509 1.468 -11.528 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.685 0.492 -10.051 1.00 0.00 H new ATOM 1223 N TYR A 77 6.984 0.935 -8.213 1.00 0.00 N ATOM 1224 CA TYR A 77 6.051 1.915 -7.673 1.00 0.00 C ATOM 1225 C TYR A 77 6.148 1.983 -6.151 1.00 0.00 C ATOM 1226 O TYR A 77 5.844 3.010 -5.546 1.00 0.00 O ATOM 1227 CB TYR A 77 4.620 1.572 -8.089 1.00 0.00 C ATOM 1228 CG TYR A 77 4.425 1.506 -9.587 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.652 2.619 -10.386 1.00 0.00 C ATOM 1230 CD2 TYR A 77 4.015 0.330 -10.201 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.476 2.563 -11.755 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.836 0.266 -11.570 1.00 0.00 C ATOM 1233 CZ TYR A 77 4.068 1.385 -12.342 1.00 0.00 C ATOM 1234 OH TYR A 77 3.892 1.323 -13.705 1.00 0.00 O ATOM 0 H TYR A 77 6.743 -0.035 -8.008 1.00 0.00 H new ATOM 0 HA TYR A 77 6.316 2.891 -8.079 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.344 0.612 -7.652 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.941 2.318 -7.675 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.972 3.544 -9.929 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.833 -0.548 -9.599 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.657 3.438 -12.362 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.516 -0.656 -12.033 1.00 0.00 H new ATOM 0 HH TYR A 77 3.604 0.421 -13.957 1.00 0.00 H new ATOM 1244 N ILE A 78 6.572 0.881 -5.538 1.00 0.00 N ATOM 1245 CA ILE A 78 6.708 0.818 -4.089 1.00 0.00 C ATOM 1246 C ILE A 78 7.838 -0.124 -3.685 1.00 0.00 C ATOM 1247 O ILE A 78 8.057 -1.156 -4.322 1.00 0.00 O ATOM 1248 CB ILE A 78 5.398 0.355 -3.419 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.541 0.364 -1.896 1.00 0.00 C ATOM 1250 CG2 ILE A 78 5.009 -1.031 -3.914 1.00 0.00 C ATOM 1251 CD1 ILE A 78 4.237 0.135 -1.164 1.00 0.00 C ATOM 0 H ILE A 78 6.827 0.021 -6.023 1.00 0.00 H new ATOM 0 HA ILE A 78 6.941 1.827 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 78 4.605 1.052 -3.691 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.253 -0.407 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.960 1.321 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.083 -1.343 -3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.865 -1.004 -4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.801 -1.740 -3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.415 0.154 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.528 0.920 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.827 -0.835 -1.446 1.00 0.00 H new ATOM 1263 N ALA A 79 8.555 0.236 -2.625 1.00 0.00 N ATOM 1264 CA ALA A 79 9.662 -0.578 -2.139 1.00 0.00 C ATOM 1265 C ALA A 79 9.800 -0.469 -0.621 1.00 0.00 C ATOM 1266 O ALA A 79 9.729 0.627 -0.064 1.00 0.00 O ATOM 1267 CB ALA A 79 10.958 -0.164 -2.819 1.00 0.00 C ATOM 0 H ALA A 79 8.389 1.086 -2.087 1.00 0.00 H new ATOM 0 HA ALA A 79 9.451 -1.619 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.777 -0.780 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.863 -0.299 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.164 0.884 -2.602 1.00 0.00 H new ATOM 1273 N PRO A 80 10.003 -1.604 0.072 1.00 0.00 N ATOM 1274 CA PRO A 80 10.152 -1.618 1.532 1.00 0.00 C ATOM 1275 C PRO A 80 11.252 -0.676 2.009 1.00 0.00 C ATOM 1276 O PRO A 80 12.400 -0.778 1.577 1.00 0.00 O ATOM 1277 CB PRO A 80 10.521 -3.071 1.844 1.00 0.00 C ATOM 1278 CG PRO A 80 9.990 -3.855 0.694 1.00 0.00 C ATOM 1279 CD PRO A 80 10.105 -2.957 -0.506 1.00 0.00 C ATOM 0 HA PRO A 80 9.246 -1.280 2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.600 -3.193 1.941 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.077 -3.398 2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.560 -4.773 0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.954 -4.147 0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.051 -3.101 -1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.311 -3.147 -1.228 1.00 0.00 H new ATOM 1287 N LYS A 81 10.894 0.239 2.903 1.00 0.00 N ATOM 1288 CA LYS A 81 11.852 1.198 3.441 1.00 0.00 C ATOM 1289 C LYS A 81 12.145 0.909 4.910 1.00 0.00 C ATOM 1290 O LYS A 81 11.661 -0.076 5.466 1.00 0.00 O ATOM 1291 CB LYS A 81 11.320 2.625 3.283 1.00 0.00 C ATOM 1292 CG LYS A 81 12.362 3.612 2.779 1.00 0.00 C ATOM 1293 CD LYS A 81 12.674 4.677 3.818 1.00 0.00 C ATOM 1294 CE LYS A 81 11.938 5.975 3.525 1.00 0.00 C ATOM 1295 NZ LYS A 81 12.326 7.061 4.468 1.00 0.00 N ATOM 0 H LYS A 81 9.948 0.337 3.270 1.00 0.00 H new ATOM 0 HA LYS A 81 12.781 1.101 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.477 2.615 2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.940 2.970 4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.276 3.077 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.002 4.088 1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.394 4.314 4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.748 4.863 3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.150 6.289 2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.863 5.805 3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.802 7.928 4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.101 6.773 5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.347 7.242 4.388 1.00 0.00 H new ATOM 1309 N THR A 82 12.939 1.774 5.531 1.00 0.00 N ATOM 1310 CA THR A 82 13.295 1.612 6.935 1.00 0.00 C ATOM 1311 C THR A 82 14.064 0.312 7.152 1.00 0.00 C ATOM 1312 O THR A 82 13.942 -0.630 6.368 1.00 0.00 O ATOM 1313 CB THR A 82 12.040 1.627 7.808 1.00 0.00 C ATOM 1314 OG1 THR A 82 11.275 2.795 7.564 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.342 1.577 9.290 1.00 0.00 C ATOM 0 H THR A 82 13.348 2.594 5.084 1.00 0.00 H new ATOM 0 HA THR A 82 13.936 2.446 7.220 1.00 0.00 H new ATOM 0 HB THR A 82 11.487 0.728 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.683 2.964 8.327 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.408 1.591 9.852 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.890 0.663 9.519 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.945 2.441 9.568 1.00 0.00 H new ATOM 1323 N LYS A 83 14.854 0.268 8.218 1.00 0.00 N ATOM 1324 CA LYS A 83 15.643 -0.916 8.536 1.00 0.00 C ATOM 1325 C LYS A 83 15.754 -1.109 10.044 1.00 0.00 C ATOM 1326 O LYS A 83 16.685 -0.611 10.677 1.00 0.00 O ATOM 1327 CB LYS A 83 17.038 -0.806 7.918 1.00 0.00 C ATOM 1328 CG LYS A 83 17.030 -0.310 6.480 1.00 0.00 C ATOM 1329 CD LYS A 83 18.437 -0.003 5.986 1.00 0.00 C ATOM 1330 CE LYS A 83 18.760 -0.765 4.711 1.00 0.00 C ATOM 1331 NZ LYS A 83 17.849 -0.392 3.594 1.00 0.00 N ATOM 0 H LYS A 83 14.965 1.039 8.877 1.00 0.00 H new ATOM 0 HA LYS A 83 15.135 -1.784 8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 83 17.642 -0.130 8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.520 -1.783 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 83 16.574 -1.063 5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 83 16.414 0.586 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 83 18.535 1.068 5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 83 19.160 -0.263 6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.791 -0.565 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 83 18.684 -1.836 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.279 -0.668 2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.939 -0.883 3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 17.691 0.636 3.603 1.00 0.00 H new ATOM 1345 N GLU A 84 14.798 -1.835 10.615 1.00 0.00 N ATOM 1346 CA GLU A 84 14.789 -2.094 12.050 1.00 0.00 C ATOM 1347 C GLU A 84 16.027 -2.879 12.470 1.00 0.00 C ATOM 1348 O GLU A 84 16.859 -2.316 13.213 1.00 0.00 O ATOM 1349 CB GLU A 84 13.527 -2.864 12.442 1.00 0.00 C ATOM 1350 CG GLU A 84 12.242 -2.221 11.944 1.00 0.00 C ATOM 1351 CD GLU A 84 11.514 -1.457 13.032 1.00 0.00 C ATOM 1352 OE1 GLU A 84 11.453 -1.961 14.173 1.00 0.00 O ATOM 1353 OE2 GLU A 84 11.005 -0.354 12.743 1.00 0.00 O ATOM 0 H GLU A 84 14.020 -2.254 10.106 1.00 0.00 H new ATOM 0 HA GLU A 84 14.797 -1.134 12.566 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.593 -3.878 12.047 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.485 -2.947 13.528 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.474 -1.544 11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.584 -2.993 11.545 1.00 0.00 H new TER 1360 GLU A 84