USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 59:sc= -1.17! USER MOD Set 2.1: A 62 ASN : amide:sc= -2.68 K(o=-2.7,f=-4) USER MOD Set 2.2: A 63 MET CE :methyl -164:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.157) USER MOD Single : A 7 LYS NZ :NH3+ -145:sc= -0.25 (180deg=-1.37!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00589 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -163:sc= 0 (180deg=-0.0985) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.224 F(o=-3!,f=-0.22) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.298 F(o=-1.8,f=-0.3) USER MOD Single : A 44 ASN : amide:sc= 0.295 X(o=0.3,f=-0.016) USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= 0.0897 (180deg=-0.412) USER MOD Single : A 47 GLN : amide:sc= -0.0701 X(o=-0.07,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.594 USER MOD Single : A 56 SER OG : rot -77:sc= -1.28! USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 156:sc= 0 (180deg=-0.281) USER MOD Single : A 70 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0143) USER MOD Single : A 71 THR OG1 : rot 114:sc= 0.981 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 35:sc= 1.37 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 31:sc= 0.255 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 155:sc= -0.02 (180deg=-0.213) USER MOD Single : A 94 ASN : amide:sc= -5.84! C(o=-5.8!,f=-7.8!) USER MOD Single : A 100 GLN : amide:sc= -4.29! C(o=-4.3!,f=-8.2!) USER MOD Single : A 104 SER OG : rot -177:sc= -6.52! USER MOD Single : A 106 TYR OH : rot -140:sc= -4.5! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 156:sc= -1.34 (180deg=-2.34!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.045 -0.532 8.635 1.00 0.00 N ATOM 2 CA ALA A 2 -13.114 0.379 9.361 1.00 0.00 C ATOM 3 C ALA A 2 -13.419 1.830 8.983 1.00 0.00 C ATOM 4 O ALA A 2 -14.408 2.117 8.337 1.00 0.00 O ATOM 5 CB ALA A 2 -11.670 0.047 8.974 1.00 0.00 C ATOM 0 HA ALA A 2 -13.244 0.248 10.435 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.989 0.713 9.504 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.450 -0.986 9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.542 0.178 7.900 1.00 0.00 H new ATOM 11 N ASP A 3 -12.575 2.746 9.378 1.00 0.00 N ATOM 12 CA ASP A 3 -12.807 4.180 9.039 1.00 0.00 C ATOM 13 C ASP A 3 -13.190 4.291 7.562 1.00 0.00 C ATOM 14 O ASP A 3 -12.579 3.680 6.712 1.00 0.00 O ATOM 15 CB ASP A 3 -11.524 4.975 9.294 1.00 0.00 C ATOM 16 CG ASP A 3 -11.264 5.055 10.800 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.069 5.660 11.489 1.00 0.00 O ATOM 18 OD2 ASP A 3 -10.265 4.510 11.239 1.00 0.00 O ATOM 0 H ASP A 3 -11.732 2.562 9.923 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.611 4.580 9.657 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.682 4.497 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.616 5.978 8.876 1.00 0.00 H new ATOM 23 N LYS A 4 -14.198 5.055 7.245 1.00 0.00 N ATOM 24 CA LYS A 4 -14.602 5.185 5.816 1.00 0.00 C ATOM 25 C LYS A 4 -13.853 6.347 5.167 1.00 0.00 C ATOM 26 O LYS A 4 -14.236 6.821 4.116 1.00 0.00 O ATOM 27 CB LYS A 4 -16.102 5.457 5.714 1.00 0.00 C ATOM 28 CG LYS A 4 -16.887 4.232 6.195 1.00 0.00 C ATOM 29 CD LYS A 4 -18.366 4.376 5.813 1.00 0.00 C ATOM 30 CE LYS A 4 -19.054 3.016 5.929 1.00 0.00 C ATOM 31 NZ LYS A 4 -18.982 2.541 7.340 1.00 0.00 N ATOM 0 H LYS A 4 -14.757 5.592 7.908 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.361 4.253 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.365 6.327 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.369 5.689 4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.474 3.327 5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.790 4.129 7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.853 5.099 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.455 4.755 4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.094 3.095 5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.574 2.296 5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.666 1.770 7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.022 2.194 7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.207 3.327 7.983 1.00 0.00 H new ATOM 45 N GLU A 5 -12.807 6.825 5.782 1.00 0.00 N ATOM 46 CA GLU A 5 -12.063 7.971 5.188 1.00 0.00 C ATOM 47 C GLU A 5 -10.565 7.821 5.446 1.00 0.00 C ATOM 48 O GLU A 5 -9.887 8.776 5.769 1.00 0.00 O ATOM 49 CB GLU A 5 -12.558 9.275 5.817 1.00 0.00 C ATOM 50 CG GLU A 5 -14.084 9.249 5.910 1.00 0.00 C ATOM 51 CD GLU A 5 -14.589 10.602 6.414 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.868 11.239 7.165 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.688 10.978 6.041 1.00 0.00 O ATOM 0 H GLU A 5 -12.437 6.474 6.665 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.237 7.988 4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.125 9.400 6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.234 10.126 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.515 9.029 4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.404 8.455 6.585 1.00 0.00 H new ATOM 60 N LEU A 6 -10.031 6.640 5.292 1.00 0.00 N ATOM 61 CA LEU A 6 -8.580 6.460 5.511 1.00 0.00 C ATOM 62 C LEU A 6 -7.870 6.921 4.233 1.00 0.00 C ATOM 63 O LEU A 6 -8.423 6.802 3.157 1.00 0.00 O ATOM 64 CB LEU A 6 -8.331 4.982 5.814 1.00 0.00 C ATOM 65 CG LEU A 6 -6.866 4.721 6.164 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.435 5.585 7.345 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.702 3.250 6.543 1.00 0.00 C ATOM 0 H LEU A 6 -10.541 5.798 5.025 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.199 7.043 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.966 4.667 6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.613 4.380 4.950 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.247 4.967 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.389 5.385 7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.555 6.638 7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.052 5.350 8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.660 3.053 6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.332 3.023 7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.997 2.623 5.702 1.00 0.00 H new ATOM 79 N LYS A 7 -6.680 7.478 4.315 1.00 0.00 N ATOM 80 CA LYS A 7 -6.027 7.965 3.063 1.00 0.00 C ATOM 81 C LYS A 7 -5.094 6.900 2.493 1.00 0.00 C ATOM 82 O LYS A 7 -4.319 6.285 3.204 1.00 0.00 O ATOM 83 CB LYS A 7 -5.234 9.239 3.354 1.00 0.00 C ATOM 84 CG LYS A 7 -5.983 10.461 2.812 1.00 0.00 C ATOM 85 CD LYS A 7 -5.157 11.727 3.065 1.00 0.00 C ATOM 86 CE LYS A 7 -5.481 12.285 4.453 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.927 12.639 4.521 1.00 0.00 N ATOM 0 H LYS A 7 -6.148 7.612 5.175 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.804 8.178 2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.081 9.344 4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.247 9.175 2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.167 10.343 1.744 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.956 10.547 3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.093 11.499 2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.375 12.474 2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.240 11.548 5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.870 13.165 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.050 13.484 5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.282 12.835 3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.460 11.846 4.932 1.00 0.00 H new ATOM 101 N PHE A 8 -5.172 6.682 1.205 1.00 0.00 N ATOM 102 CA PHE A 8 -4.317 5.666 0.553 1.00 0.00 C ATOM 103 C PHE A 8 -3.361 6.336 -0.422 1.00 0.00 C ATOM 104 O PHE A 8 -3.670 7.354 -1.002 1.00 0.00 O ATOM 105 CB PHE A 8 -5.204 4.711 -0.242 1.00 0.00 C ATOM 106 CG PHE A 8 -6.078 3.938 0.708 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.156 4.572 1.329 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.804 2.595 0.979 1.00 0.00 C ATOM 109 CE1 PHE A 8 -7.964 3.862 2.219 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.612 1.881 1.874 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.694 2.516 2.493 1.00 0.00 C ATOM 0 H PHE A 8 -5.804 7.176 0.575 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.754 5.133 1.319 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.819 5.270 -0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.589 4.027 -0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.365 5.611 1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.969 2.107 0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.799 4.352 2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.400 0.843 2.085 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.320 1.968 3.182 1.00 0.00 H new ATOM 121 N LEU A 9 -2.217 5.748 -0.627 1.00 0.00 N ATOM 122 CA LEU A 9 -1.244 6.312 -1.603 1.00 0.00 C ATOM 123 C LEU A 9 -0.936 5.224 -2.633 1.00 0.00 C ATOM 124 O LEU A 9 -0.256 4.259 -2.345 1.00 0.00 O ATOM 125 CB LEU A 9 0.038 6.742 -0.883 1.00 0.00 C ATOM 126 CG LEU A 9 1.091 7.185 -1.908 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.517 8.280 -2.805 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.314 7.734 -1.177 1.00 0.00 C ATOM 0 H LEU A 9 -1.912 4.895 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.662 7.191 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.178 7.559 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.424 5.916 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 9 1.375 6.327 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.270 8.589 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.358 7.898 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.228 9.136 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.062 8.049 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.020 8.588 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.734 6.958 -0.537 1.00 0.00 H new ATOM 140 N VAL A 10 -1.455 5.352 -3.826 1.00 0.00 N ATOM 141 CA VAL A 10 -1.208 4.302 -4.855 1.00 0.00 C ATOM 142 C VAL A 10 0.053 4.632 -5.651 1.00 0.00 C ATOM 143 O VAL A 10 0.137 5.657 -6.293 1.00 0.00 O ATOM 144 CB VAL A 10 -2.409 4.223 -5.794 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.722 2.759 -6.097 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.617 4.863 -5.115 1.00 0.00 C ATOM 0 H VAL A 10 -2.036 6.134 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.068 3.340 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.183 4.748 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.579 2.701 -6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.858 2.293 -6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.952 2.236 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.479 4.810 -5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.839 4.330 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.397 5.906 -4.889 1.00 0.00 H new ATOM 156 N VAL A 11 1.033 3.766 -5.607 1.00 0.00 N ATOM 157 CA VAL A 11 2.295 4.011 -6.346 1.00 0.00 C ATOM 158 C VAL A 11 2.578 2.834 -7.281 1.00 0.00 C ATOM 159 O VAL A 11 3.614 2.202 -7.201 1.00 0.00 O ATOM 160 CB VAL A 11 3.441 4.163 -5.342 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.719 4.610 -6.062 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.053 5.205 -4.291 1.00 0.00 C ATOM 0 H VAL A 11 1.006 2.891 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 11 2.205 4.922 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 11 3.626 3.203 -4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.527 4.715 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.995 3.866 -6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.545 5.568 -6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.865 5.318 -3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.865 6.161 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.152 4.879 -3.771 1.00 0.00 H new ATOM 172 N ASP A 12 1.667 2.538 -8.168 1.00 0.00 N ATOM 173 CA ASP A 12 1.879 1.403 -9.111 1.00 0.00 C ATOM 174 C ASP A 12 2.417 1.941 -10.438 1.00 0.00 C ATOM 175 O ASP A 12 2.062 3.019 -10.872 1.00 0.00 O ATOM 176 CB ASP A 12 0.549 0.687 -9.357 1.00 0.00 C ATOM 177 CG ASP A 12 -0.498 1.195 -8.363 1.00 0.00 C ATOM 178 OD1 ASP A 12 -0.869 2.353 -8.464 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.910 0.417 -7.519 1.00 0.00 O ATOM 0 H ASP A 12 0.783 3.035 -8.280 1.00 0.00 H new ATOM 0 HA ASP A 12 2.595 0.702 -8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.212 0.865 -10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.678 -0.390 -9.247 1.00 0.00 H new ATOM 184 N ASP A 13 3.269 1.197 -11.088 1.00 0.00 N ATOM 185 CA ASP A 13 3.824 1.667 -12.388 1.00 0.00 C ATOM 186 C ASP A 13 2.732 1.593 -13.458 1.00 0.00 C ATOM 187 O ASP A 13 2.715 2.362 -14.398 1.00 0.00 O ATOM 188 CB ASP A 13 4.998 0.775 -12.796 1.00 0.00 C ATOM 189 CG ASP A 13 4.620 -0.693 -12.587 1.00 0.00 C ATOM 190 OD1 ASP A 13 3.435 -0.986 -12.599 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.520 -1.498 -12.417 1.00 0.00 O ATOM 0 H ASP A 13 3.604 0.286 -10.776 1.00 0.00 H new ATOM 0 HA ASP A 13 4.170 2.696 -12.287 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.256 0.950 -13.841 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.879 1.022 -12.204 1.00 0.00 H new ATOM 196 N PHE A 14 1.818 0.671 -13.321 1.00 0.00 N ATOM 197 CA PHE A 14 0.726 0.547 -14.327 1.00 0.00 C ATOM 198 C PHE A 14 0.081 1.917 -14.546 1.00 0.00 C ATOM 199 O PHE A 14 -0.441 2.520 -13.629 1.00 0.00 O ATOM 200 CB PHE A 14 -0.331 -0.435 -13.816 1.00 0.00 C ATOM 201 CG PHE A 14 -0.218 -1.739 -14.571 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.513 -1.780 -15.938 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.178 -2.906 -13.905 1.00 0.00 C ATOM 204 CE1 PHE A 14 -0.412 -2.987 -16.641 1.00 0.00 C ATOM 205 CE2 PHE A 14 0.279 -4.113 -14.607 1.00 0.00 C ATOM 206 CZ PHE A 14 -0.016 -4.153 -15.975 1.00 0.00 C ATOM 0 H PHE A 14 1.781 -0.002 -12.555 1.00 0.00 H new ATOM 0 HA PHE A 14 1.138 0.181 -15.267 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.195 -0.608 -12.748 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.327 -0.013 -13.946 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.819 -0.880 -16.451 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.405 -2.875 -12.850 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.639 -3.018 -17.696 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.584 -5.013 -14.094 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.062 -5.084 -16.517 1.00 0.00 H new ATOM 216 N SER A 15 0.112 2.414 -15.752 1.00 0.00 N ATOM 217 CA SER A 15 -0.500 3.745 -16.024 1.00 0.00 C ATOM 218 C SER A 15 -2.011 3.587 -16.205 1.00 0.00 C ATOM 219 O SER A 15 -2.597 4.141 -17.114 1.00 0.00 O ATOM 220 CB SER A 15 0.107 4.335 -17.297 1.00 0.00 C ATOM 221 OG SER A 15 1.439 3.861 -17.446 1.00 0.00 O ATOM 0 H SER A 15 0.534 1.956 -16.560 1.00 0.00 H new ATOM 0 HA SER A 15 -0.304 4.412 -15.185 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.491 4.052 -18.163 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.100 5.424 -17.246 1.00 0.00 H new ATOM 0 HG SER A 15 1.830 4.236 -18.262 1.00 0.00 H new ATOM 227 N THR A 16 -2.648 2.838 -15.345 1.00 0.00 N ATOM 228 CA THR A 16 -4.120 2.647 -15.470 1.00 0.00 C ATOM 229 C THR A 16 -4.644 1.882 -14.252 1.00 0.00 C ATOM 230 O THR A 16 -5.790 2.015 -13.869 1.00 0.00 O ATOM 231 CB THR A 16 -4.427 1.851 -16.740 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.820 1.581 -16.804 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.649 0.535 -16.719 1.00 0.00 C ATOM 0 H THR A 16 -2.212 2.351 -14.562 1.00 0.00 H new ATOM 0 HA THR A 16 -4.606 3.621 -15.524 1.00 0.00 H new ATOM 0 HB THR A 16 -4.130 2.431 -17.614 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.018 1.072 -17.618 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.868 -0.032 -17.624 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.580 0.745 -16.672 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.943 -0.048 -15.846 1.00 0.00 H new ATOM 241 N MET A 17 -3.815 1.081 -13.639 1.00 0.00 N ATOM 242 CA MET A 17 -4.267 0.308 -12.448 1.00 0.00 C ATOM 243 C MET A 17 -4.720 1.275 -11.353 1.00 0.00 C ATOM 244 O MET A 17 -5.644 1.001 -10.612 1.00 0.00 O ATOM 245 CB MET A 17 -3.111 -0.547 -11.923 1.00 0.00 C ATOM 246 CG MET A 17 -3.485 -1.133 -10.561 1.00 0.00 C ATOM 247 SD MET A 17 -2.798 -2.801 -10.411 1.00 0.00 S ATOM 248 CE MET A 17 -3.834 -3.347 -9.031 1.00 0.00 C ATOM 0 H MET A 17 -2.844 0.929 -13.912 1.00 0.00 H new ATOM 0 HA MET A 17 -5.098 -0.338 -12.731 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.889 -1.349 -12.627 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.209 0.058 -11.835 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.102 -0.498 -9.762 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.569 -1.164 -10.452 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.391 -4.230 -8.571 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.905 -2.549 -8.292 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.831 -3.591 -9.399 1.00 0.00 H new ATOM 258 N ARG A 18 -4.075 2.402 -11.242 1.00 0.00 N ATOM 259 CA ARG A 18 -4.466 3.384 -10.192 1.00 0.00 C ATOM 260 C ARG A 18 -5.962 3.691 -10.308 1.00 0.00 C ATOM 261 O ARG A 18 -6.637 3.915 -9.324 1.00 0.00 O ATOM 262 CB ARG A 18 -3.663 4.673 -10.375 1.00 0.00 C ATOM 263 CG ARG A 18 -2.230 4.327 -10.789 1.00 0.00 C ATOM 264 CD ARG A 18 -1.261 5.324 -10.152 1.00 0.00 C ATOM 265 NE ARG A 18 0.077 5.199 -10.797 1.00 0.00 N ATOM 266 CZ ARG A 18 0.354 5.897 -11.863 1.00 0.00 C ATOM 267 NH1 ARG A 18 0.850 7.099 -11.745 1.00 0.00 N ATOM 268 NH2 ARG A 18 0.135 5.396 -13.046 1.00 0.00 N ATOM 0 H ARG A 18 -3.294 2.686 -11.833 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.259 2.964 -9.208 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.131 5.301 -11.134 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.657 5.245 -9.447 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.984 3.313 -10.475 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.137 4.356 -11.875 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.639 6.340 -10.268 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.180 5.135 -9.082 1.00 0.00 H new ATOM 0 HE ARG A 18 0.776 4.568 -10.405 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.021 7.492 -10.819 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.067 7.645 -12.579 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.253 4.457 -13.138 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.352 5.943 -13.879 1.00 0.00 H new ATOM 282 N ARG A 19 -6.485 3.703 -11.504 1.00 0.00 N ATOM 283 CA ARG A 19 -7.936 3.996 -11.682 1.00 0.00 C ATOM 284 C ARG A 19 -8.758 2.779 -11.249 1.00 0.00 C ATOM 285 O ARG A 19 -9.850 2.906 -10.731 1.00 0.00 O ATOM 286 CB ARG A 19 -8.219 4.300 -13.159 1.00 0.00 C ATOM 287 CG ARG A 19 -8.342 5.813 -13.385 1.00 0.00 C ATOM 288 CD ARG A 19 -6.979 6.483 -13.181 1.00 0.00 C ATOM 289 NE ARG A 19 -7.179 7.926 -12.865 1.00 0.00 N ATOM 290 CZ ARG A 19 -6.831 8.837 -13.731 1.00 0.00 C ATOM 291 NH1 ARG A 19 -7.107 8.675 -14.995 1.00 0.00 N ATOM 292 NH2 ARG A 19 -6.207 9.912 -13.333 1.00 0.00 N ATOM 0 H ARG A 19 -5.970 3.523 -12.366 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.210 4.858 -11.073 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.417 3.898 -13.779 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.139 3.805 -13.468 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.707 6.011 -14.393 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.071 6.235 -12.694 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.438 5.994 -12.371 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.371 6.377 -14.080 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.588 8.201 -11.972 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.595 7.836 -15.307 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.835 9.388 -15.672 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.991 10.040 -12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.935 10.624 -14.011 1.00 0.00 H new ATOM 306 N ILE A 20 -8.243 1.599 -11.462 1.00 0.00 N ATOM 307 CA ILE A 20 -8.993 0.373 -11.067 1.00 0.00 C ATOM 308 C ILE A 20 -9.163 0.346 -9.547 1.00 0.00 C ATOM 309 O ILE A 20 -10.250 0.159 -9.034 1.00 0.00 O ATOM 310 CB ILE A 20 -8.212 -0.866 -11.535 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.746 -1.310 -12.899 1.00 0.00 C ATOM 312 CG2 ILE A 20 -8.369 -2.018 -10.532 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.765 -2.296 -13.537 1.00 0.00 C ATOM 0 H ILE A 20 -7.334 1.431 -11.893 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.979 0.374 -11.532 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.156 -0.608 -11.608 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.724 -1.777 -12.784 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.881 -0.444 -13.548 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.808 -2.885 -10.883 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.987 -1.708 -9.559 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.423 -2.280 -10.441 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.146 -2.612 -14.508 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.796 -1.813 -13.667 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.653 -3.167 -12.891 1.00 0.00 H new ATOM 325 N VAL A 21 -8.094 0.515 -8.822 1.00 0.00 N ATOM 326 CA VAL A 21 -8.192 0.482 -7.335 1.00 0.00 C ATOM 327 C VAL A 21 -9.038 1.657 -6.837 1.00 0.00 C ATOM 328 O VAL A 21 -9.742 1.549 -5.853 1.00 0.00 O ATOM 329 CB VAL A 21 -6.793 0.559 -6.724 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.479 -0.754 -6.009 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.761 0.790 -7.827 1.00 0.00 C ATOM 0 H VAL A 21 -7.157 0.674 -9.193 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.668 -0.451 -7.032 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.756 1.384 -6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.482 -0.701 -5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.212 -0.923 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.519 -1.576 -6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.765 0.844 -7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.799 -0.034 -8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.982 1.725 -8.342 1.00 0.00 H new ATOM 341 N ARG A 22 -8.977 2.778 -7.505 1.00 0.00 N ATOM 342 CA ARG A 22 -9.782 3.954 -7.062 1.00 0.00 C ATOM 343 C ARG A 22 -11.213 3.509 -6.764 1.00 0.00 C ATOM 344 O ARG A 22 -11.740 3.739 -5.693 1.00 0.00 O ATOM 345 CB ARG A 22 -9.810 4.998 -8.179 1.00 0.00 C ATOM 346 CG ARG A 22 -8.921 6.184 -7.795 1.00 0.00 C ATOM 347 CD ARG A 22 -8.822 7.153 -8.975 1.00 0.00 C ATOM 348 NE ARG A 22 -10.120 7.182 -9.705 1.00 0.00 N ATOM 349 CZ ARG A 22 -10.965 8.154 -9.498 1.00 0.00 C ATOM 350 NH1 ARG A 22 -10.578 9.395 -9.626 1.00 0.00 N ATOM 351 NH2 ARG A 22 -12.199 7.888 -9.164 1.00 0.00 N ATOM 0 H ARG A 22 -8.406 2.930 -8.336 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.334 4.381 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.461 4.556 -9.112 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.832 5.336 -8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.334 6.695 -6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.928 5.832 -7.516 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.571 8.152 -8.619 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.022 6.844 -9.647 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.348 6.441 -10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.615 9.604 -9.888 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.239 10.155 -9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.503 6.919 -9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.859 8.649 -9.002 1.00 0.00 H new ATOM 365 N ASN A 23 -11.840 2.868 -7.707 1.00 0.00 N ATOM 366 CA ASN A 23 -13.225 2.392 -7.512 1.00 0.00 C ATOM 367 C ASN A 23 -13.240 1.344 -6.412 1.00 0.00 C ATOM 368 O ASN A 23 -13.954 1.449 -5.433 1.00 0.00 O ATOM 369 CB ASN A 23 -13.653 1.735 -8.809 1.00 0.00 C ATOM 370 CG ASN A 23 -15.064 2.185 -9.191 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.337 3.366 -9.276 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.980 1.285 -9.431 1.00 0.00 N ATOM 0 H ASN A 23 -11.439 2.652 -8.620 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.887 3.214 -7.241 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.954 1.994 -9.604 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.626 0.651 -8.702 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.923 1.574 -9.690 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.752 0.293 -9.360 1.00 0.00 H new ATOM 379 N LEU A 24 -12.449 0.328 -6.596 1.00 0.00 N ATOM 380 CA LEU A 24 -12.362 -0.781 -5.604 1.00 0.00 C ATOM 381 C LEU A 24 -12.441 -0.217 -4.179 1.00 0.00 C ATOM 382 O LEU A 24 -13.297 -0.590 -3.402 1.00 0.00 O ATOM 383 CB LEU A 24 -11.019 -1.486 -5.811 1.00 0.00 C ATOM 384 CG LEU A 24 -10.997 -2.874 -5.131 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.628 -3.932 -6.174 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.959 -2.931 -3.996 1.00 0.00 C ATOM 0 H LEU A 24 -11.845 0.215 -7.410 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.187 -1.481 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.827 -1.599 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.217 -0.869 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.985 -3.060 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.610 -4.915 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.367 -3.926 -6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.644 -3.709 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.972 -3.921 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.967 -2.730 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.203 -2.182 -3.242 1.00 0.00 H new ATOM 398 N LEU A 25 -11.563 0.689 -3.833 1.00 0.00 N ATOM 399 CA LEU A 25 -11.604 1.281 -2.462 1.00 0.00 C ATOM 400 C LEU A 25 -12.989 1.877 -2.217 1.00 0.00 C ATOM 401 O LEU A 25 -13.635 1.579 -1.233 1.00 0.00 O ATOM 402 CB LEU A 25 -10.545 2.382 -2.341 1.00 0.00 C ATOM 403 CG LEU A 25 -9.229 1.779 -1.847 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.060 2.622 -2.359 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.216 1.772 -0.317 1.00 0.00 C ATOM 0 H LEU A 25 -10.822 1.043 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.399 0.506 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.395 2.864 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.885 3.153 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.134 0.759 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.121 2.194 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.069 2.632 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.156 3.642 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.279 1.343 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.310 2.793 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.050 1.175 0.051 1.00 0.00 H new ATOM 417 N LYS A 26 -13.454 2.714 -3.104 1.00 0.00 N ATOM 418 CA LYS A 26 -14.797 3.315 -2.911 1.00 0.00 C ATOM 419 C LYS A 26 -15.810 2.202 -2.641 1.00 0.00 C ATOM 420 O LYS A 26 -16.727 2.358 -1.860 1.00 0.00 O ATOM 421 CB LYS A 26 -15.203 4.085 -4.170 1.00 0.00 C ATOM 422 CG LYS A 26 -16.236 5.153 -3.800 1.00 0.00 C ATOM 423 CD LYS A 26 -17.172 5.399 -4.984 1.00 0.00 C ATOM 424 CE LYS A 26 -18.208 6.459 -4.602 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.813 7.031 -5.838 1.00 0.00 N ATOM 0 H LYS A 26 -12.962 3.004 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.772 4.002 -2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.328 4.551 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.619 3.401 -4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.810 4.831 -2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.732 6.079 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.600 5.730 -5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.671 4.472 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -18.983 6.016 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.737 7.248 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.517 7.751 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.069 7.467 -6.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.276 6.274 -6.380 1.00 0.00 H new ATOM 439 N GLU A 27 -15.649 1.079 -3.285 1.00 0.00 N ATOM 440 CA GLU A 27 -16.597 -0.046 -3.072 1.00 0.00 C ATOM 441 C GLU A 27 -16.798 -0.266 -1.573 1.00 0.00 C ATOM 442 O GLU A 27 -17.904 -0.446 -1.103 1.00 0.00 O ATOM 443 CB GLU A 27 -16.033 -1.320 -3.707 1.00 0.00 C ATOM 444 CG GLU A 27 -17.169 -2.311 -3.964 1.00 0.00 C ATOM 445 CD GLU A 27 -16.672 -3.736 -3.710 1.00 0.00 C ATOM 446 OE1 GLU A 27 -16.400 -4.053 -2.564 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.573 -4.486 -4.667 1.00 0.00 O ATOM 0 H GLU A 27 -14.899 0.893 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.554 0.194 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.528 -1.079 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.288 -1.768 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.014 -2.088 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.523 -2.216 -4.990 1.00 0.00 H new ATOM 454 N LEU A 28 -15.736 -0.249 -0.819 1.00 0.00 N ATOM 455 CA LEU A 28 -15.866 -0.452 0.650 1.00 0.00 C ATOM 456 C LEU A 28 -16.483 0.797 1.276 1.00 0.00 C ATOM 457 O LEU A 28 -17.554 0.757 1.848 1.00 0.00 O ATOM 458 CB LEU A 28 -14.484 -0.698 1.257 1.00 0.00 C ATOM 459 CG LEU A 28 -14.095 -2.165 1.067 1.00 0.00 C ATOM 460 CD1 LEU A 28 -14.059 -2.495 -0.426 1.00 0.00 C ATOM 461 CD2 LEU A 28 -12.711 -2.407 1.675 1.00 0.00 C ATOM 0 H LEU A 28 -14.784 -0.103 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.504 -1.314 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.746 -0.051 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.492 -0.448 2.318 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.828 -2.802 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.782 -3.540 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.043 -2.322 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.326 -1.858 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.432 -3.452 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.979 -1.769 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.735 -2.172 2.739 1.00 0.00 H new ATOM 473 N GLY A 29 -15.811 1.908 1.171 1.00 0.00 N ATOM 474 CA GLY A 29 -16.342 3.162 1.753 1.00 0.00 C ATOM 475 C GLY A 29 -15.187 4.130 2.022 1.00 0.00 C ATOM 476 O GLY A 29 -15.018 4.602 3.121 1.00 0.00 O ATOM 0 H GLY A 29 -14.910 1.998 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.060 3.617 1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.875 2.948 2.680 1.00 0.00 H new ATOM 480 N PHE A 30 -14.390 4.422 1.026 1.00 0.00 N ATOM 481 CA PHE A 30 -13.237 5.356 1.229 1.00 0.00 C ATOM 482 C PHE A 30 -13.265 6.447 0.153 1.00 0.00 C ATOM 483 O PHE A 30 -13.723 6.229 -0.950 1.00 0.00 O ATOM 484 CB PHE A 30 -11.929 4.569 1.108 1.00 0.00 C ATOM 485 CG PHE A 30 -11.797 3.614 2.266 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.222 4.040 3.464 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.248 2.297 2.136 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.096 3.149 4.536 1.00 0.00 C ATOM 489 CE2 PHE A 30 -12.124 1.404 3.206 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.547 1.831 4.407 1.00 0.00 C ATOM 0 H PHE A 30 -14.487 4.055 0.079 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.308 5.814 2.215 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.911 4.019 0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.082 5.255 1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.874 5.058 3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.693 1.968 1.208 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.651 3.479 5.463 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.473 0.387 3.105 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.450 1.143 5.234 1.00 0.00 H new ATOM 500 N ASN A 31 -12.780 7.624 0.463 1.00 0.00 N ATOM 501 CA ASN A 31 -12.787 8.718 -0.553 1.00 0.00 C ATOM 502 C ASN A 31 -11.606 9.672 -0.321 1.00 0.00 C ATOM 503 O ASN A 31 -11.792 10.827 0.007 1.00 0.00 O ATOM 504 CB ASN A 31 -14.097 9.500 -0.443 1.00 0.00 C ATOM 505 CG ASN A 31 -14.330 10.289 -1.732 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.307 10.620 -2.473 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -15.452 10.609 -2.068 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.383 7.872 1.369 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.696 8.279 -1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.927 8.816 -0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.057 10.179 0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.251 10.350 -1.489 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.596 11.136 -2.929 1.00 0.00 H new ATOM 514 N ASN A 32 -10.395 9.206 -0.494 1.00 0.00 N ATOM 515 CA ASN A 32 -9.211 10.099 -0.287 1.00 0.00 C ATOM 516 C ASN A 32 -7.934 9.343 -0.666 1.00 0.00 C ATOM 517 O ASN A 32 -7.435 8.534 0.092 1.00 0.00 O ATOM 518 CB ASN A 32 -9.130 10.525 1.184 1.00 0.00 C ATOM 519 CG ASN A 32 -8.544 11.935 1.274 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.381 12.181 0.734 1.00 0.00 O flip ATOM 521 ND2 ASN A 32 -9.150 12.823 1.840 1.00 0.00 N flip ATOM 0 H ASN A 32 -10.174 8.249 -0.769 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.316 10.985 -0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.122 10.502 1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.509 9.825 1.743 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.059 12.632 2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.750 13.760 1.893 1.00 0.00 H new ATOM 528 N VAL A 33 -7.407 9.581 -1.837 1.00 0.00 N ATOM 529 CA VAL A 33 -6.174 8.850 -2.249 1.00 0.00 C ATOM 530 C VAL A 33 -5.330 9.709 -3.204 1.00 0.00 C ATOM 531 O VAL A 33 -5.855 10.519 -3.943 1.00 0.00 O ATOM 532 CB VAL A 33 -6.603 7.560 -2.947 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.702 7.878 -3.959 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.417 6.931 -3.673 1.00 0.00 C ATOM 0 H VAL A 33 -7.773 10.244 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.564 8.626 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.974 6.858 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.012 6.961 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.556 8.316 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.323 8.585 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.737 6.013 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.035 7.629 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.630 6.702 -2.954 1.00 0.00 H new ATOM 544 N GLU A 34 -4.027 9.516 -3.211 1.00 0.00 N ATOM 545 CA GLU A 34 -3.144 10.294 -4.136 1.00 0.00 C ATOM 546 C GLU A 34 -2.378 9.303 -5.009 1.00 0.00 C ATOM 547 O GLU A 34 -2.727 8.140 -5.081 1.00 0.00 O ATOM 548 CB GLU A 34 -2.164 11.157 -3.335 1.00 0.00 C ATOM 549 CG GLU A 34 -2.925 12.292 -2.645 1.00 0.00 C ATOM 550 CD GLU A 34 -2.498 13.633 -3.246 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.358 14.016 -3.040 1.00 0.00 O ATOM 552 OE2 GLU A 34 -3.319 14.254 -3.900 1.00 0.00 O ATOM 0 H GLU A 34 -3.539 8.850 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.747 10.956 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.649 10.547 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.400 11.567 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.999 12.152 -2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.723 12.281 -1.574 1.00 0.00 H new ATOM 559 N GLU A 35 -1.354 9.741 -5.687 1.00 0.00 N ATOM 560 CA GLU A 35 -0.604 8.796 -6.568 1.00 0.00 C ATOM 561 C GLU A 35 0.883 9.157 -6.637 1.00 0.00 C ATOM 562 O GLU A 35 1.281 10.277 -6.388 1.00 0.00 O ATOM 563 CB GLU A 35 -1.197 8.845 -7.978 1.00 0.00 C ATOM 564 CG GLU A 35 -2.668 8.425 -7.936 1.00 0.00 C ATOM 565 CD GLU A 35 -3.179 8.212 -9.362 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.491 8.622 -10.283 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.248 7.644 -9.509 1.00 0.00 O ATOM 0 H GLU A 35 -1.005 10.699 -5.672 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.694 7.794 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.108 9.852 -8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.639 8.183 -8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.779 7.508 -7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.262 9.190 -7.436 1.00 0.00 H new ATOM 574 N ALA A 36 1.700 8.198 -6.994 1.00 0.00 N ATOM 575 CA ALA A 36 3.167 8.439 -7.110 1.00 0.00 C ATOM 576 C ALA A 36 3.732 7.505 -8.185 1.00 0.00 C ATOM 577 O ALA A 36 2.988 6.891 -8.927 1.00 0.00 O ATOM 578 CB ALA A 36 3.845 8.155 -5.768 1.00 0.00 C ATOM 0 H ALA A 36 1.406 7.246 -7.213 1.00 0.00 H new ATOM 0 HA ALA A 36 3.354 9.477 -7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.917 8.332 -5.857 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.431 8.813 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.671 7.117 -5.485 1.00 0.00 H new ATOM 584 N GLU A 37 5.031 7.397 -8.290 1.00 0.00 N ATOM 585 CA GLU A 37 5.620 6.504 -9.335 1.00 0.00 C ATOM 586 C GLU A 37 6.870 5.792 -8.801 1.00 0.00 C ATOM 587 O GLU A 37 7.550 5.099 -9.531 1.00 0.00 O ATOM 588 CB GLU A 37 6.002 7.341 -10.556 1.00 0.00 C ATOM 589 CG GLU A 37 5.799 8.825 -10.245 1.00 0.00 C ATOM 590 CD GLU A 37 6.262 9.664 -11.438 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.038 9.239 -12.559 1.00 0.00 O ATOM 592 OE2 GLU A 37 6.832 10.719 -11.209 1.00 0.00 O ATOM 0 H GLU A 37 5.707 7.885 -7.702 1.00 0.00 H new ATOM 0 HA GLU A 37 4.880 5.753 -9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.041 7.155 -10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.393 7.052 -11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.748 9.023 -10.034 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.361 9.101 -9.353 1.00 0.00 H new ATOM 599 N ASP A 38 7.183 5.944 -7.543 1.00 0.00 N ATOM 600 CA ASP A 38 8.392 5.258 -6.999 1.00 0.00 C ATOM 601 C ASP A 38 8.585 5.643 -5.533 1.00 0.00 C ATOM 602 O ASP A 38 7.852 6.442 -4.995 1.00 0.00 O ATOM 603 CB ASP A 38 9.622 5.679 -7.803 1.00 0.00 C ATOM 604 CG ASP A 38 9.419 7.095 -8.344 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.696 8.033 -7.613 1.00 0.00 O ATOM 606 OD2 ASP A 38 8.989 7.218 -9.479 1.00 0.00 O ATOM 0 H ASP A 38 6.660 6.508 -6.873 1.00 0.00 H new ATOM 0 HA ASP A 38 8.260 4.179 -7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.511 5.643 -7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.787 4.984 -8.626 1.00 0.00 H new ATOM 611 N GLY A 39 9.571 5.085 -4.882 1.00 0.00 N ATOM 612 CA GLY A 39 9.803 5.432 -3.451 1.00 0.00 C ATOM 613 C GLY A 39 10.256 6.884 -3.352 1.00 0.00 C ATOM 614 O GLY A 39 10.028 7.549 -2.362 1.00 0.00 O ATOM 0 H GLY A 39 10.223 4.407 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.889 5.284 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.559 4.773 -3.023 1.00 0.00 H new ATOM 618 N VAL A 40 10.885 7.390 -4.375 1.00 0.00 N ATOM 619 CA VAL A 40 11.335 8.807 -4.336 1.00 0.00 C ATOM 620 C VAL A 40 10.108 9.713 -4.386 1.00 0.00 C ATOM 621 O VAL A 40 10.029 10.715 -3.701 1.00 0.00 O ATOM 622 CB VAL A 40 12.231 9.092 -5.540 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.926 10.441 -5.351 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.285 7.988 -5.660 1.00 0.00 C ATOM 0 H VAL A 40 11.106 6.885 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 40 11.897 8.993 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 40 11.626 9.120 -6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.565 10.644 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.176 11.227 -5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.532 10.414 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.926 8.189 -6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.890 7.962 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.791 7.026 -5.793 1.00 0.00 H new ATOM 634 N ASP A 41 9.143 9.361 -5.189 1.00 0.00 N ATOM 635 CA ASP A 41 7.913 10.184 -5.292 1.00 0.00 C ATOM 636 C ASP A 41 7.004 9.874 -4.106 1.00 0.00 C ATOM 637 O ASP A 41 6.362 10.746 -3.558 1.00 0.00 O ATOM 638 CB ASP A 41 7.194 9.826 -6.587 1.00 0.00 C ATOM 639 CG ASP A 41 6.369 11.023 -7.067 1.00 0.00 C ATOM 640 OD1 ASP A 41 6.969 12.008 -7.465 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.154 10.933 -7.027 1.00 0.00 O ATOM 0 H ASP A 41 9.157 8.531 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 41 8.167 11.244 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.919 9.542 -7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.545 8.965 -6.428 1.00 0.00 H new ATOM 646 N ALA A 42 6.949 8.634 -3.706 1.00 0.00 N ATOM 647 CA ALA A 42 6.086 8.263 -2.556 1.00 0.00 C ATOM 648 C ALA A 42 6.737 8.753 -1.268 1.00 0.00 C ATOM 649 O ALA A 42 6.069 9.080 -0.315 1.00 0.00 O ATOM 650 CB ALA A 42 5.932 6.746 -2.498 1.00 0.00 C ATOM 0 H ALA A 42 7.466 7.863 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 42 5.104 8.721 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.298 6.477 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.475 6.391 -3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.912 6.285 -2.378 1.00 0.00 H new ATOM 656 N LEU A 43 8.038 8.815 -1.233 1.00 0.00 N ATOM 657 CA LEU A 43 8.721 9.297 -0.003 1.00 0.00 C ATOM 658 C LEU A 43 8.451 10.794 0.146 1.00 0.00 C ATOM 659 O LEU A 43 8.163 11.284 1.220 1.00 0.00 O ATOM 660 CB LEU A 43 10.231 9.045 -0.125 1.00 0.00 C ATOM 661 CG LEU A 43 10.982 9.732 1.023 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.375 9.313 2.363 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.454 9.312 0.982 1.00 0.00 C ATOM 0 H LEU A 43 8.656 8.553 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 43 8.345 8.766 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.430 7.973 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.593 9.422 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 43 10.901 10.813 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.912 9.804 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.325 9.605 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.455 8.232 2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.994 9.797 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.527 8.230 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.891 9.610 0.029 1.00 0.00 H new ATOM 675 N ASN A 44 8.538 11.523 -0.930 1.00 0.00 N ATOM 676 CA ASN A 44 8.288 12.988 -0.864 1.00 0.00 C ATOM 677 C ASN A 44 6.802 13.249 -0.598 1.00 0.00 C ATOM 678 O ASN A 44 6.430 14.262 -0.040 1.00 0.00 O ATOM 679 CB ASN A 44 8.679 13.621 -2.199 1.00 0.00 C ATOM 680 CG ASN A 44 10.140 14.074 -2.143 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.474 15.000 -1.432 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.031 13.455 -2.870 1.00 0.00 N ATOM 0 H ASN A 44 8.772 11.165 -1.856 1.00 0.00 H new ATOM 0 HA ASN A 44 8.880 13.422 -0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.541 12.903 -3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.032 14.471 -2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.007 13.749 -2.840 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.751 12.677 -3.467 1.00 0.00 H new ATOM 689 N LYS A 45 5.950 12.347 -1.003 1.00 0.00 N ATOM 690 CA LYS A 45 4.488 12.550 -0.785 1.00 0.00 C ATOM 691 C LYS A 45 4.074 12.014 0.591 1.00 0.00 C ATOM 692 O LYS A 45 3.267 12.611 1.271 1.00 0.00 O ATOM 693 CB LYS A 45 3.703 11.820 -1.875 1.00 0.00 C ATOM 694 CG LYS A 45 3.136 12.842 -2.864 1.00 0.00 C ATOM 695 CD LYS A 45 2.560 12.114 -4.079 1.00 0.00 C ATOM 696 CE LYS A 45 2.190 13.134 -5.157 1.00 0.00 C ATOM 697 NZ LYS A 45 1.312 14.185 -4.566 1.00 0.00 N ATOM 0 H LYS A 45 6.202 11.479 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 45 4.270 13.617 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.351 11.115 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.894 11.241 -1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.360 13.438 -2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.919 13.532 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.289 11.404 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.680 11.540 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.092 13.587 -5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.678 12.638 -5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.857 14.726 -5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.582 13.736 -3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.884 14.826 -3.980 1.00 0.00 H new ATOM 711 N LEU A 46 4.619 10.900 1.008 1.00 0.00 N ATOM 712 CA LEU A 46 4.254 10.334 2.346 1.00 0.00 C ATOM 713 C LEU A 46 4.272 11.456 3.387 1.00 0.00 C ATOM 714 O LEU A 46 3.724 11.328 4.464 1.00 0.00 O ATOM 715 CB LEU A 46 5.277 9.256 2.739 1.00 0.00 C ATOM 716 CG LEU A 46 4.623 7.864 2.797 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.576 7.826 3.908 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.950 7.524 1.463 1.00 0.00 C ATOM 0 H LEU A 46 5.302 10.356 0.481 1.00 0.00 H new ATOM 0 HA LEU A 46 3.259 9.891 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.095 9.247 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.710 9.498 3.710 1.00 0.00 H new ATOM 0 HG LEU A 46 5.404 7.130 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.118 6.838 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.053 8.038 4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.809 8.575 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.494 6.536 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.181 8.265 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.695 7.529 0.668 1.00 0.00 H new ATOM 730 N GLN A 47 4.888 12.560 3.066 1.00 0.00 N ATOM 731 CA GLN A 47 4.933 13.698 4.021 1.00 0.00 C ATOM 732 C GLN A 47 3.745 14.619 3.743 1.00 0.00 C ATOM 733 O GLN A 47 3.755 15.787 4.078 1.00 0.00 O ATOM 734 CB GLN A 47 6.240 14.473 3.835 1.00 0.00 C ATOM 735 CG GLN A 47 7.392 13.678 4.453 1.00 0.00 C ATOM 736 CD GLN A 47 8.687 14.485 4.350 1.00 0.00 C ATOM 737 OE1 GLN A 47 9.677 14.004 3.835 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.724 15.702 4.821 1.00 0.00 N ATOM 0 H GLN A 47 5.364 12.722 2.178 1.00 0.00 H new ATOM 0 HA GLN A 47 4.883 13.327 5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.428 14.643 2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.165 15.453 4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.173 13.454 5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.505 12.723 3.939 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.894 16.107 5.253 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.583 16.248 4.756 1.00 0.00 H new ATOM 747 N ALA A 48 2.719 14.096 3.126 1.00 0.00 N ATOM 748 CA ALA A 48 1.531 14.925 2.819 1.00 0.00 C ATOM 749 C ALA A 48 0.849 15.325 4.123 1.00 0.00 C ATOM 750 O ALA A 48 0.802 16.486 4.479 1.00 0.00 O ATOM 751 CB ALA A 48 0.550 14.125 1.957 1.00 0.00 C ATOM 0 H ALA A 48 2.658 13.124 2.822 1.00 0.00 H new ATOM 0 HA ALA A 48 1.842 15.817 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.322 14.739 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.037 13.834 1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.236 13.232 2.497 1.00 0.00 H new ATOM 757 N GLY A 49 0.323 14.373 4.844 1.00 0.00 N ATOM 758 CA GLY A 49 -0.350 14.719 6.131 1.00 0.00 C ATOM 759 C GLY A 49 -0.750 13.448 6.882 1.00 0.00 C ATOM 760 O GLY A 49 -1.653 13.462 7.695 1.00 0.00 O ATOM 0 H GLY A 49 0.329 13.382 4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.319 15.319 6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.234 15.326 5.935 1.00 0.00 H new ATOM 764 N GLY A 50 -0.099 12.349 6.614 1.00 0.00 N ATOM 765 CA GLY A 50 -0.462 11.084 7.313 1.00 0.00 C ATOM 766 C GLY A 50 -1.439 10.320 6.430 1.00 0.00 C ATOM 767 O GLY A 50 -2.642 10.424 6.577 1.00 0.00 O ATOM 0 H GLY A 50 0.666 12.272 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.429 10.485 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.913 11.300 8.282 1.00 0.00 H new ATOM 771 N TYR A 51 -0.931 9.578 5.494 1.00 0.00 N ATOM 772 CA TYR A 51 -1.820 8.833 4.571 1.00 0.00 C ATOM 773 C TYR A 51 -2.634 7.791 5.334 1.00 0.00 C ATOM 774 O TYR A 51 -3.800 7.580 5.087 1.00 0.00 O ATOM 775 CB TYR A 51 -0.966 8.147 3.506 1.00 0.00 C ATOM 776 CG TYR A 51 -0.830 9.084 2.341 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.806 9.096 1.343 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.257 9.959 2.273 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.696 9.983 0.270 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.368 10.851 1.201 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.610 10.863 0.198 1.00 0.00 C ATOM 782 OH TYR A 51 -0.502 11.742 -0.860 1.00 0.00 O ATOM 0 H TYR A 51 0.068 9.455 5.328 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.513 9.530 4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.015 7.896 3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.430 7.212 3.190 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.646 8.420 1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.010 9.947 3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.449 9.990 -0.504 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.207 11.529 1.147 1.00 0.00 H new ATOM 0 HH TYR A 51 0.309 12.282 -0.755 1.00 0.00 H new ATOM 792 N GLY A 52 -2.015 7.131 6.247 1.00 0.00 N ATOM 793 CA GLY A 52 -2.713 6.088 7.030 1.00 0.00 C ATOM 794 C GLY A 52 -2.629 4.775 6.262 1.00 0.00 C ATOM 795 O GLY A 52 -2.699 3.710 6.831 1.00 0.00 O ATOM 0 H GLY A 52 -1.035 7.268 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.256 5.982 8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.754 6.367 7.191 1.00 0.00 H new ATOM 799 N PHE A 53 -2.480 4.849 4.966 1.00 0.00 N ATOM 800 CA PHE A 53 -2.397 3.600 4.158 1.00 0.00 C ATOM 801 C PHE A 53 -1.615 3.860 2.864 1.00 0.00 C ATOM 802 O PHE A 53 -1.713 4.916 2.268 1.00 0.00 O ATOM 803 CB PHE A 53 -3.816 3.156 3.812 1.00 0.00 C ATOM 804 CG PHE A 53 -4.016 1.701 4.167 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.228 1.326 5.495 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.022 0.731 3.163 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.438 -0.012 5.821 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.237 -0.610 3.483 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.444 -0.984 4.815 1.00 0.00 C ATOM 0 H PHE A 53 -2.413 5.717 4.435 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.883 2.826 4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.537 3.770 4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.001 3.306 2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.229 2.076 6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.860 1.020 2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.596 -0.299 6.850 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.244 -1.358 2.704 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.608 -2.021 5.066 1.00 0.00 H new ATOM 819 N VAL A 54 -0.841 2.904 2.421 1.00 0.00 N ATOM 820 CA VAL A 54 -0.064 3.101 1.158 1.00 0.00 C ATOM 821 C VAL A 54 -0.076 1.812 0.336 1.00 0.00 C ATOM 822 O VAL A 54 0.306 0.757 0.805 1.00 0.00 O ATOM 823 CB VAL A 54 1.381 3.471 1.489 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.119 3.908 0.217 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.398 4.615 2.506 1.00 0.00 C ATOM 0 H VAL A 54 -0.713 2.000 2.875 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.523 3.905 0.584 1.00 0.00 H new ATOM 0 HB VAL A 54 1.882 2.599 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.148 4.169 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.116 3.091 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.618 4.775 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.429 4.878 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.889 5.483 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.887 4.300 3.416 1.00 0.00 H new ATOM 835 N ILE A 55 -0.504 1.903 -0.893 1.00 0.00 N ATOM 836 CA ILE A 55 -0.544 0.709 -1.785 1.00 0.00 C ATOM 837 C ILE A 55 0.539 0.879 -2.856 1.00 0.00 C ATOM 838 O ILE A 55 0.398 1.683 -3.752 1.00 0.00 O ATOM 839 CB ILE A 55 -1.917 0.644 -2.459 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.015 0.674 -1.394 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.029 -0.647 -3.264 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.381 0.786 -2.075 1.00 0.00 C ATOM 0 H ILE A 55 -0.833 2.767 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.372 -0.205 -1.216 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.032 1.500 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.972 -0.230 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.861 1.518 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.007 -0.693 -3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.250 -0.670 -4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.911 -1.502 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.165 0.807 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.420 1.703 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.533 -0.072 -2.730 1.00 0.00 H new ATOM 854 N SER A 56 1.627 0.156 -2.762 1.00 0.00 N ATOM 855 CA SER A 56 2.723 0.312 -3.773 1.00 0.00 C ATOM 856 C SER A 56 3.086 -1.037 -4.388 1.00 0.00 C ATOM 857 O SER A 56 3.072 -2.058 -3.731 1.00 0.00 O ATOM 858 CB SER A 56 3.955 0.896 -3.084 1.00 0.00 C ATOM 859 OG SER A 56 4.666 -0.147 -2.431 1.00 0.00 O ATOM 0 H SER A 56 1.805 -0.534 -2.032 1.00 0.00 H new ATOM 0 HA SER A 56 2.379 0.976 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.597 1.387 -3.816 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.656 1.656 -2.362 1.00 0.00 H new ATOM 0 HG SER A 56 4.208 -0.383 -1.597 1.00 0.00 H new ATOM 865 N ASP A 57 3.427 -1.045 -5.650 1.00 0.00 N ATOM 866 CA ASP A 57 3.808 -2.322 -6.312 1.00 0.00 C ATOM 867 C ASP A 57 5.090 -2.851 -5.673 1.00 0.00 C ATOM 868 O ASP A 57 5.125 -3.150 -4.496 1.00 0.00 O ATOM 869 CB ASP A 57 4.034 -2.081 -7.806 1.00 0.00 C ATOM 870 CG ASP A 57 2.684 -1.890 -8.500 1.00 0.00 C ATOM 871 OD1 ASP A 57 1.672 -2.032 -7.833 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.685 -1.605 -9.686 1.00 0.00 O ATOM 0 H ASP A 57 3.457 -0.220 -6.249 1.00 0.00 H new ATOM 0 HA ASP A 57 3.009 -3.053 -6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.659 -1.200 -7.953 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.565 -2.925 -8.246 1.00 0.00 H new ATOM 877 N TRP A 58 6.144 -2.970 -6.433 1.00 0.00 N ATOM 878 CA TRP A 58 7.416 -3.486 -5.856 1.00 0.00 C ATOM 879 C TRP A 58 8.534 -3.387 -6.898 1.00 0.00 C ATOM 880 O TRP A 58 8.360 -3.742 -8.046 1.00 0.00 O ATOM 881 CB TRP A 58 7.222 -4.950 -5.455 1.00 0.00 C ATOM 882 CG TRP A 58 8.528 -5.529 -5.028 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.339 -6.272 -5.814 1.00 0.00 C ATOM 884 CD2 TRP A 58 9.186 -5.430 -3.733 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.451 -6.643 -5.081 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.403 -6.148 -3.792 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.847 -4.797 -2.523 1.00 0.00 C ATOM 888 CZ2 TRP A 58 11.253 -6.235 -2.693 1.00 0.00 C ATOM 889 CZ3 TRP A 58 9.704 -4.879 -1.414 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.904 -5.598 -1.498 1.00 0.00 C ATOM 0 H TRP A 58 6.179 -2.733 -7.425 1.00 0.00 H new ATOM 0 HA TRP A 58 7.688 -2.894 -4.982 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.498 -5.022 -4.643 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.818 -5.517 -6.294 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.149 -6.533 -6.845 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.214 -7.213 -5.447 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.922 -4.245 -2.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.176 -6.791 -2.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 9.437 -4.385 -0.491 1.00 0.00 H new ATOM 0 HH2 TRP A 58 11.558 -5.660 -0.641 1.00 0.00 H new ATOM 901 N ASN A 59 9.685 -2.911 -6.502 1.00 0.00 N ATOM 902 CA ASN A 59 10.820 -2.794 -7.462 1.00 0.00 C ATOM 903 C ASN A 59 10.453 -1.827 -8.589 1.00 0.00 C ATOM 904 O ASN A 59 9.415 -1.941 -9.209 1.00 0.00 O ATOM 905 CB ASN A 59 11.132 -4.170 -8.057 1.00 0.00 C ATOM 906 CG ASN A 59 12.583 -4.201 -8.543 1.00 0.00 C ATOM 907 OD1 ASN A 59 12.865 -3.853 -9.672 1.00 0.00 O ATOM 908 ND2 ASN A 59 13.521 -4.608 -7.731 1.00 0.00 N ATOM 0 H ASN A 59 9.888 -2.598 -5.553 1.00 0.00 H new ATOM 0 HA ASN A 59 11.695 -2.415 -6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.972 -4.946 -7.309 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.456 -4.381 -8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.491 -4.634 -8.045 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.284 -4.900 -6.783 1.00 0.00 H new ATOM 915 N MET A 60 11.311 -0.882 -8.864 1.00 0.00 N ATOM 916 CA MET A 60 11.040 0.095 -9.955 1.00 0.00 C ATOM 917 C MET A 60 12.178 1.130 -10.033 1.00 0.00 C ATOM 918 O MET A 60 12.713 1.348 -11.102 1.00 0.00 O ATOM 919 CB MET A 60 9.694 0.799 -9.737 1.00 0.00 C ATOM 920 CG MET A 60 8.753 0.465 -10.896 1.00 0.00 C ATOM 921 SD MET A 60 9.425 1.147 -12.432 1.00 0.00 S ATOM 922 CE MET A 60 8.506 2.705 -12.412 1.00 0.00 C ATOM 0 H MET A 60 12.195 -0.745 -8.375 1.00 0.00 H new ATOM 0 HA MET A 60 10.990 -0.449 -10.898 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.253 0.480 -8.792 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.841 1.877 -9.672 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.637 -0.615 -10.985 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.762 0.877 -10.705 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.043 3.452 -12.997 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.517 2.549 -12.842 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.404 3.054 -11.384 1.00 0.00 H new ATOM 932 N PRO A 61 12.539 1.744 -8.917 1.00 0.00 N ATOM 933 CA PRO A 61 13.627 2.740 -8.922 1.00 0.00 C ATOM 934 C PRO A 61 14.954 2.053 -9.254 1.00 0.00 C ATOM 935 O PRO A 61 15.526 2.251 -10.308 1.00 0.00 O ATOM 936 CB PRO A 61 13.664 3.299 -7.493 1.00 0.00 C ATOM 937 CG PRO A 61 12.564 2.579 -6.677 1.00 0.00 C ATOM 938 CD PRO A 61 11.921 1.522 -7.588 1.00 0.00 C ATOM 0 HA PRO A 61 13.469 3.524 -9.662 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.643 3.134 -7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.493 4.375 -7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.991 2.111 -5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.816 3.292 -6.332 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.117 0.513 -7.224 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.838 1.641 -7.630 1.00 0.00 H new ATOM 946 N ASN A 62 15.443 1.241 -8.356 1.00 0.00 N ATOM 947 CA ASN A 62 16.728 0.530 -8.606 1.00 0.00 C ATOM 948 C ASN A 62 16.926 -0.540 -7.529 1.00 0.00 C ATOM 949 O ASN A 62 17.469 -1.596 -7.786 1.00 0.00 O ATOM 950 CB ASN A 62 17.887 1.528 -8.555 1.00 0.00 C ATOM 951 CG ASN A 62 18.253 1.813 -7.096 1.00 0.00 C ATOM 952 OD1 ASN A 62 19.367 1.562 -6.678 1.00 0.00 O ATOM 953 ND2 ASN A 62 17.359 2.330 -6.300 1.00 0.00 N ATOM 0 H ASN A 62 15.006 1.039 -7.457 1.00 0.00 H new ATOM 0 HA ASN A 62 16.702 0.062 -9.590 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.750 1.126 -9.086 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.606 2.453 -9.058 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.594 2.524 -5.327 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.425 2.541 -6.651 1.00 0.00 H new ATOM 960 N MET A 63 16.483 -0.271 -6.328 1.00 0.00 N ATOM 961 CA MET A 63 16.635 -1.265 -5.226 1.00 0.00 C ATOM 962 C MET A 63 15.300 -1.977 -4.996 1.00 0.00 C ATOM 963 O MET A 63 15.021 -3.000 -5.591 1.00 0.00 O ATOM 964 CB MET A 63 17.052 -0.542 -3.944 1.00 0.00 C ATOM 965 CG MET A 63 18.578 -0.541 -3.832 1.00 0.00 C ATOM 966 SD MET A 63 19.089 0.644 -2.562 1.00 0.00 S ATOM 967 CE MET A 63 20.418 1.428 -3.506 1.00 0.00 C ATOM 0 H MET A 63 16.021 0.599 -6.063 1.00 0.00 H new ATOM 0 HA MET A 63 17.397 -1.996 -5.497 1.00 0.00 H new ATOM 0 HB2 MET A 63 16.677 0.481 -3.952 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.613 -1.035 -3.077 1.00 0.00 H new ATOM 0 HG2 MET A 63 18.935 -1.539 -3.578 1.00 0.00 H new ATOM 0 HG3 MET A 63 19.024 -0.277 -4.791 1.00 0.00 H new ATOM 0 HE1 MET A 63 21.059 1.994 -2.830 1.00 0.00 H new ATOM 0 HE2 MET A 63 21.008 0.662 -4.009 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.989 2.101 -4.248 1.00 0.00 H new ATOM 977 N ASP A 64 14.472 -1.445 -4.139 1.00 0.00 N ATOM 978 CA ASP A 64 13.155 -2.092 -3.873 1.00 0.00 C ATOM 979 C ASP A 64 12.308 -1.177 -2.987 1.00 0.00 C ATOM 980 O ASP A 64 12.759 -0.140 -2.541 1.00 0.00 O ATOM 981 CB ASP A 64 13.379 -3.428 -3.160 1.00 0.00 C ATOM 982 CG ASP A 64 14.698 -3.381 -2.389 1.00 0.00 C ATOM 983 OD1 ASP A 64 15.013 -2.328 -1.857 1.00 0.00 O ATOM 984 OD2 ASP A 64 15.372 -4.396 -2.342 1.00 0.00 O ATOM 0 H ASP A 64 14.650 -0.590 -3.611 1.00 0.00 H new ATOM 0 HA ASP A 64 12.637 -2.265 -4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.554 -3.631 -2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.399 -4.241 -3.886 1.00 0.00 H new ATOM 989 N GLY A 65 11.085 -1.549 -2.727 1.00 0.00 N ATOM 990 CA GLY A 65 10.218 -0.695 -1.868 1.00 0.00 C ATOM 991 C GLY A 65 10.653 -0.834 -0.407 1.00 0.00 C ATOM 992 O GLY A 65 9.874 -0.642 0.505 1.00 0.00 O ATOM 0 H GLY A 65 10.650 -2.405 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.289 0.346 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.175 -0.991 -1.978 1.00 0.00 H new ATOM 996 N LEU A 66 11.897 -1.164 -0.176 1.00 0.00 N ATOM 997 CA LEU A 66 12.378 -1.305 1.228 1.00 0.00 C ATOM 998 C LEU A 66 12.719 0.076 1.773 1.00 0.00 C ATOM 999 O LEU A 66 12.184 0.505 2.776 1.00 0.00 O ATOM 1000 CB LEU A 66 13.630 -2.189 1.267 1.00 0.00 C ATOM 1001 CG LEU A 66 13.271 -3.634 0.904 1.00 0.00 C ATOM 1002 CD1 LEU A 66 14.539 -4.486 0.904 1.00 0.00 C ATOM 1003 CD2 LEU A 66 12.286 -4.202 1.929 1.00 0.00 C ATOM 0 H LEU A 66 12.597 -1.341 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 66 11.598 -1.766 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.376 -1.806 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.076 -2.156 2.261 1.00 0.00 H new ATOM 0 HG LEU A 66 12.812 -3.649 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.286 -5.514 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 66 15.243 -4.091 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.994 -4.462 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.036 -5.229 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.741 -4.184 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.379 -3.598 1.935 1.00 0.00 H new ATOM 1015 N GLU A 67 13.593 0.787 1.113 1.00 0.00 N ATOM 1016 CA GLU A 67 13.946 2.151 1.589 1.00 0.00 C ATOM 1017 C GLU A 67 12.646 2.902 1.864 1.00 0.00 C ATOM 1018 O GLU A 67 12.607 3.872 2.595 1.00 0.00 O ATOM 1019 CB GLU A 67 14.749 2.878 0.508 1.00 0.00 C ATOM 1020 CG GLU A 67 15.987 3.521 1.137 1.00 0.00 C ATOM 1021 CD GLU A 67 16.799 4.232 0.052 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.446 4.097 -1.107 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.759 4.899 0.401 1.00 0.00 O ATOM 0 H GLU A 67 14.075 0.482 0.268 1.00 0.00 H new ATOM 0 HA GLU A 67 14.550 2.098 2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.047 2.177 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.132 3.640 0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.689 4.232 1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.598 2.760 1.624 1.00 0.00 H new ATOM 1030 N LEU A 68 11.572 2.429 1.294 1.00 0.00 N ATOM 1031 CA LEU A 68 10.253 3.067 1.514 1.00 0.00 C ATOM 1032 C LEU A 68 9.754 2.650 2.896 1.00 0.00 C ATOM 1033 O LEU A 68 9.717 3.431 3.826 1.00 0.00 O ATOM 1034 CB LEU A 68 9.278 2.556 0.446 1.00 0.00 C ATOM 1035 CG LEU A 68 9.099 3.598 -0.658 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.475 2.941 -1.901 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.167 4.705 -0.164 1.00 0.00 C ATOM 0 H LEU A 68 11.557 1.616 0.678 1.00 0.00 H new ATOM 0 HA LEU A 68 10.329 4.153 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.652 1.626 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.314 2.332 0.903 1.00 0.00 H new ATOM 0 HG LEU A 68 10.073 4.015 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.350 3.689 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.129 2.146 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.503 2.522 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.038 5.449 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.198 4.277 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.600 5.179 0.717 1.00 0.00 H new ATOM 1049 N LEU A 69 9.387 1.406 3.031 1.00 0.00 N ATOM 1050 CA LEU A 69 8.900 0.890 4.345 1.00 0.00 C ATOM 1051 C LEU A 69 9.844 1.370 5.448 1.00 0.00 C ATOM 1052 O LEU A 69 9.473 2.134 6.315 1.00 0.00 O ATOM 1053 CB LEU A 69 8.932 -0.638 4.298 1.00 0.00 C ATOM 1054 CG LEU A 69 7.570 -1.249 4.647 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.586 -2.746 4.307 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.268 -1.111 6.147 1.00 0.00 C ATOM 0 H LEU A 69 9.403 0.716 2.280 1.00 0.00 H new ATOM 0 HA LEU A 69 7.889 1.246 4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.232 -0.964 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.685 -1.007 4.995 1.00 0.00 H new ATOM 0 HG LEU A 69 6.808 -0.721 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.619 -3.185 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.783 -2.875 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.367 -3.242 4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.296 -1.553 6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.038 -1.626 6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.256 -0.056 6.420 1.00 0.00 H new ATOM 1068 N LYS A 70 11.067 0.912 5.416 1.00 0.00 N ATOM 1069 CA LYS A 70 12.056 1.322 6.455 1.00 0.00 C ATOM 1070 C LYS A 70 11.951 2.828 6.706 1.00 0.00 C ATOM 1071 O LYS A 70 11.894 3.272 7.836 1.00 0.00 O ATOM 1072 CB LYS A 70 13.470 0.984 5.976 1.00 0.00 C ATOM 1073 CG LYS A 70 14.430 1.010 7.169 1.00 0.00 C ATOM 1074 CD LYS A 70 15.846 0.679 6.694 1.00 0.00 C ATOM 1075 CE LYS A 70 16.612 -0.013 7.823 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.228 -1.452 7.871 1.00 0.00 N ATOM 0 H LYS A 70 11.425 0.268 4.711 1.00 0.00 H new ATOM 0 HA LYS A 70 11.845 0.787 7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.482 0.000 5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.791 1.701 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.414 1.993 7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.110 0.290 7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.806 0.032 5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.363 1.590 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.686 0.083 7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.389 0.466 8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.416 -1.830 8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.216 -1.549 7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.784 -1.983 7.171 1.00 0.00 H new ATOM 1090 N THR A 71 11.925 3.619 5.669 1.00 0.00 N ATOM 1091 CA THR A 71 11.825 5.092 5.869 1.00 0.00 C ATOM 1092 C THR A 71 10.450 5.438 6.447 1.00 0.00 C ATOM 1093 O THR A 71 10.286 6.434 7.124 1.00 0.00 O ATOM 1094 CB THR A 71 12.013 5.808 4.531 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.333 5.582 4.055 1.00 0.00 O ATOM 1096 CG2 THR A 71 11.788 7.308 4.722 1.00 0.00 C ATOM 0 H THR A 71 11.968 3.312 4.697 1.00 0.00 H new ATOM 0 HA THR A 71 12.602 5.415 6.562 1.00 0.00 H new ATOM 0 HB THR A 71 11.296 5.422 3.807 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.298 5.049 3.233 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.922 7.820 3.769 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.776 7.480 5.088 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.506 7.694 5.445 1.00 0.00 H new ATOM 1104 N ILE A 72 9.460 4.626 6.187 1.00 0.00 N ATOM 1105 CA ILE A 72 8.099 4.914 6.727 1.00 0.00 C ATOM 1106 C ILE A 72 8.052 4.539 8.210 1.00 0.00 C ATOM 1107 O ILE A 72 7.152 4.924 8.929 1.00 0.00 O ATOM 1108 CB ILE A 72 7.059 4.091 5.962 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.951 4.611 4.523 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.699 4.219 6.651 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.411 3.508 3.603 1.00 0.00 C ATOM 0 H ILE A 72 9.534 3.778 5.625 1.00 0.00 H new ATOM 0 HA ILE A 72 7.879 5.975 6.610 1.00 0.00 H new ATOM 0 HB ILE A 72 7.364 3.045 5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.291 5.478 4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.929 4.941 4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.959 3.633 6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.773 3.850 7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.395 5.266 6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.338 3.888 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.087 2.653 3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.424 3.199 3.946 1.00 0.00 H new ATOM 1123 N ARG A 73 9.017 3.792 8.675 1.00 0.00 N ATOM 1124 CA ARG A 73 9.027 3.396 10.111 1.00 0.00 C ATOM 1125 C ARG A 73 9.669 4.509 10.942 1.00 0.00 C ATOM 1126 O ARG A 73 9.376 4.673 12.109 1.00 0.00 O ATOM 1127 CB ARG A 73 9.833 2.106 10.280 1.00 0.00 C ATOM 1128 CG ARG A 73 9.692 1.602 11.717 1.00 0.00 C ATOM 1129 CD ARG A 73 11.081 1.394 12.326 1.00 0.00 C ATOM 1130 NE ARG A 73 11.789 2.703 12.412 1.00 0.00 N ATOM 1131 CZ ARG A 73 13.064 2.738 12.685 1.00 0.00 C ATOM 1132 NH1 ARG A 73 13.936 2.380 11.781 1.00 0.00 N ATOM 1133 NH2 ARG A 73 13.471 3.130 13.861 1.00 0.00 N ATOM 0 H ARG A 73 9.798 3.439 8.122 1.00 0.00 H new ATOM 0 HA ARG A 73 8.004 3.232 10.449 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.478 1.349 9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.883 2.287 10.048 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.127 2.320 12.311 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.133 0.666 11.732 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.992 0.951 13.318 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.656 0.697 11.716 1.00 0.00 H new ATOM 0 HE ARG A 73 11.276 3.571 12.257 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.620 2.073 10.861 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.933 2.408 11.995 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.792 3.410 14.569 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.468 3.157 14.073 1.00 0.00 H new ATOM 1147 N ALA A 74 10.544 5.274 10.349 1.00 0.00 N ATOM 1148 CA ALA A 74 11.205 6.374 11.106 1.00 0.00 C ATOM 1149 C ALA A 74 10.142 7.223 11.807 1.00 0.00 C ATOM 1150 O ALA A 74 10.382 7.798 12.850 1.00 0.00 O ATOM 1151 CB ALA A 74 12.000 7.252 10.139 1.00 0.00 C ATOM 0 H ALA A 74 10.830 5.185 9.374 1.00 0.00 H new ATOM 0 HA ALA A 74 11.879 5.948 11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.484 8.057 10.692 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.758 6.649 9.639 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.326 7.677 9.395 1.00 0.00 H new ATOM 1157 N ASP A 75 8.969 7.306 11.242 1.00 0.00 N ATOM 1158 CA ASP A 75 7.893 8.117 11.876 1.00 0.00 C ATOM 1159 C ASP A 75 7.755 7.718 13.347 1.00 0.00 C ATOM 1160 O ASP A 75 7.421 6.595 13.667 1.00 0.00 O ATOM 1161 CB ASP A 75 6.570 7.863 11.150 1.00 0.00 C ATOM 1162 CG ASP A 75 6.143 9.131 10.407 1.00 0.00 C ATOM 1163 OD1 ASP A 75 6.016 10.158 11.053 1.00 0.00 O ATOM 1164 OD2 ASP A 75 5.951 9.052 9.205 1.00 0.00 O ATOM 0 H ASP A 75 8.710 6.847 10.369 1.00 0.00 H new ATOM 0 HA ASP A 75 8.146 9.175 11.810 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.681 7.037 10.447 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.801 7.571 11.865 1.00 0.00 H new ATOM 1169 N GLY A 76 8.014 8.629 14.244 1.00 0.00 N ATOM 1170 CA GLY A 76 7.901 8.300 15.693 1.00 0.00 C ATOM 1171 C GLY A 76 6.432 8.346 16.117 1.00 0.00 C ATOM 1172 O GLY A 76 6.009 7.625 16.999 1.00 0.00 O ATOM 0 H GLY A 76 8.299 9.586 14.037 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.314 7.310 15.885 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.483 9.008 16.283 1.00 0.00 H new ATOM 1176 N ALA A 77 5.651 9.189 15.500 1.00 0.00 N ATOM 1177 CA ALA A 77 4.212 9.278 15.872 1.00 0.00 C ATOM 1178 C ALA A 77 3.521 7.948 15.563 1.00 0.00 C ATOM 1179 O ALA A 77 3.039 7.269 16.447 1.00 0.00 O ATOM 1180 CB ALA A 77 3.544 10.398 15.073 1.00 0.00 C ATOM 0 H ALA A 77 5.947 9.819 14.755 1.00 0.00 H new ATOM 0 HA ALA A 77 4.127 9.493 16.937 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.491 10.462 15.346 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.035 11.346 15.295 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.630 10.186 14.007 1.00 0.00 H new ATOM 1186 N MET A 78 3.469 7.571 14.315 1.00 0.00 N ATOM 1187 CA MET A 78 2.810 6.286 13.953 1.00 0.00 C ATOM 1188 C MET A 78 3.849 5.167 13.936 1.00 0.00 C ATOM 1189 O MET A 78 3.640 4.102 14.482 1.00 0.00 O ATOM 1190 CB MET A 78 2.169 6.409 12.568 1.00 0.00 C ATOM 1191 CG MET A 78 0.733 5.885 12.624 1.00 0.00 C ATOM 1192 SD MET A 78 -0.272 6.986 13.648 1.00 0.00 S ATOM 1193 CE MET A 78 -1.318 7.636 12.322 1.00 0.00 C ATOM 0 H MET A 78 3.854 8.098 13.531 1.00 0.00 H new ATOM 0 HA MET A 78 2.039 6.056 14.689 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.176 7.449 12.243 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.746 5.843 11.837 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.317 5.826 11.618 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.719 4.875 13.035 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.029 8.351 12.737 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.696 8.133 11.578 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.860 6.816 11.851 1.00 0.00 H new ATOM 1203 N SER A 79 4.966 5.399 13.309 1.00 0.00 N ATOM 1204 CA SER A 79 6.021 4.347 13.253 1.00 0.00 C ATOM 1205 C SER A 79 5.389 3.017 12.839 1.00 0.00 C ATOM 1206 O SER A 79 5.994 1.969 12.952 1.00 0.00 O ATOM 1207 CB SER A 79 6.663 4.194 14.633 1.00 0.00 C ATOM 1208 OG SER A 79 8.070 4.364 14.520 1.00 0.00 O ATOM 0 H SER A 79 5.196 6.271 12.832 1.00 0.00 H new ATOM 0 HA SER A 79 6.782 4.633 12.527 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.251 4.931 15.322 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.436 3.211 15.045 1.00 0.00 H new ATOM 0 HG SER A 79 8.264 5.033 13.830 1.00 0.00 H new ATOM 1214 N ALA A 80 4.176 3.049 12.359 1.00 0.00 N ATOM 1215 CA ALA A 80 3.507 1.787 11.942 1.00 0.00 C ATOM 1216 C ALA A 80 2.531 2.076 10.797 1.00 0.00 C ATOM 1217 O ALA A 80 1.640 1.296 10.523 1.00 0.00 O ATOM 1218 CB ALA A 80 2.741 1.198 13.130 1.00 0.00 C ATOM 0 H ALA A 80 3.620 3.896 12.238 1.00 0.00 H new ATOM 0 HA ALA A 80 4.259 1.074 11.604 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.251 0.274 12.825 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.436 0.989 13.943 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.990 1.912 13.469 1.00 0.00 H new ATOM 1224 N LEU A 81 2.691 3.191 10.128 1.00 0.00 N ATOM 1225 CA LEU A 81 1.768 3.521 9.002 1.00 0.00 C ATOM 1226 C LEU A 81 1.573 2.261 8.122 1.00 0.00 C ATOM 1227 O LEU A 81 2.524 1.818 7.509 1.00 0.00 O ATOM 1228 CB LEU A 81 2.384 4.634 8.149 1.00 0.00 C ATOM 1229 CG LEU A 81 1.273 5.573 7.655 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.702 6.396 8.820 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.838 6.523 6.598 1.00 0.00 C ATOM 0 H LEU A 81 3.417 3.883 10.313 1.00 0.00 H new ATOM 0 HA LEU A 81 0.808 3.851 9.400 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.115 5.193 8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.916 4.204 7.300 1.00 0.00 H new ATOM 0 HG LEU A 81 0.474 4.969 7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.083 7.055 8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.287 5.724 9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.496 6.994 9.267 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.049 7.189 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.644 7.113 7.033 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.224 5.945 5.758 1.00 0.00 H new ATOM 1243 N PRO A 82 0.375 1.691 8.081 1.00 0.00 N ATOM 1244 CA PRO A 82 0.135 0.472 7.277 1.00 0.00 C ATOM 1245 C PRO A 82 0.439 0.666 5.785 1.00 0.00 C ATOM 1246 O PRO A 82 0.017 1.616 5.154 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.347 0.135 7.488 1.00 0.00 C ATOM 1248 CG PRO A 82 -1.933 1.177 8.467 1.00 0.00 C ATOM 1249 CD PRO A 82 -0.823 2.180 8.807 1.00 0.00 C ATOM 0 HA PRO A 82 0.800 -0.330 7.597 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.883 0.158 6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.456 -0.872 7.891 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.784 1.688 8.016 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.297 0.689 9.371 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.092 3.188 8.490 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.644 2.221 9.881 1.00 0.00 H new ATOM 1257 N VAL A 83 1.146 -0.274 5.220 1.00 0.00 N ATOM 1258 CA VAL A 83 1.477 -0.232 3.767 1.00 0.00 C ATOM 1259 C VAL A 83 1.177 -1.589 3.188 1.00 0.00 C ATOM 1260 O VAL A 83 1.899 -2.523 3.445 1.00 0.00 O ATOM 1261 CB VAL A 83 2.969 -0.015 3.553 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.329 -0.434 2.116 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.335 1.441 3.786 1.00 0.00 C ATOM 0 H VAL A 83 1.516 -1.086 5.715 1.00 0.00 H new ATOM 0 HA VAL A 83 0.905 0.574 3.307 1.00 0.00 H new ATOM 0 HB VAL A 83 3.531 -0.620 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.396 -0.283 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.084 -1.486 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.762 0.171 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.405 1.577 3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.783 2.071 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.080 1.721 4.808 1.00 0.00 H new ATOM 1273 N LEU A 84 0.165 -1.736 2.397 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.062 -3.083 1.841 1.00 0.00 C ATOM 1275 C LEU A 84 0.707 -3.175 0.539 1.00 0.00 C ATOM 1276 O LEU A 84 0.298 -2.662 -0.485 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.562 -3.339 1.633 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.872 -4.803 1.208 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.810 -5.813 1.679 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.205 -5.219 1.830 1.00 0.00 C ATOM 0 H LEU A 84 -0.495 -1.010 2.118 1.00 0.00 H new ATOM 0 HA LEU A 84 0.290 -3.849 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.096 -3.113 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.940 -2.657 0.871 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.891 -4.817 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.088 -6.814 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.158 -5.547 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.747 -5.794 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.437 -6.244 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.136 -5.155 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.994 -4.555 1.477 1.00 0.00 H new ATOM 1292 N MET A 85 1.844 -3.805 0.585 1.00 0.00 N ATOM 1293 CA MET A 85 2.678 -3.910 -0.630 1.00 0.00 C ATOM 1294 C MET A 85 1.987 -4.817 -1.641 1.00 0.00 C ATOM 1295 O MET A 85 1.583 -5.921 -1.334 1.00 0.00 O ATOM 1296 CB MET A 85 4.046 -4.487 -0.260 1.00 0.00 C ATOM 1297 CG MET A 85 5.112 -3.923 -1.198 1.00 0.00 C ATOM 1298 SD MET A 85 5.386 -2.175 -0.812 1.00 0.00 S ATOM 1299 CE MET A 85 6.878 -2.392 0.189 1.00 0.00 C ATOM 0 H MET A 85 2.229 -4.252 1.417 1.00 0.00 H new ATOM 0 HA MET A 85 2.814 -2.922 -1.069 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.289 -4.239 0.773 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.024 -5.575 -0.330 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.042 -4.481 -1.088 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.795 -4.033 -2.235 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.226 -1.420 0.538 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.652 -3.026 1.046 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.656 -2.861 -0.414 1.00 0.00 H new ATOM 1309 N VAL A 86 1.844 -4.350 -2.843 1.00 0.00 N ATOM 1310 CA VAL A 86 1.175 -5.159 -3.891 1.00 0.00 C ATOM 1311 C VAL A 86 2.231 -5.826 -4.766 1.00 0.00 C ATOM 1312 O VAL A 86 3.241 -5.234 -5.090 1.00 0.00 O ATOM 1313 CB VAL A 86 0.314 -4.235 -4.738 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.649 -5.064 -5.574 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.472 -3.307 -3.814 1.00 0.00 C ATOM 0 H VAL A 86 2.166 -3.431 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 86 0.554 -5.929 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 86 0.945 -3.644 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.266 -4.402 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.084 -5.732 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.288 -5.653 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.093 -2.640 -4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.106 -3.901 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.222 -2.717 -3.215 1.00 0.00 H new ATOM 1325 N THR A 87 2.013 -7.053 -5.150 1.00 0.00 N ATOM 1326 CA THR A 87 3.030 -7.736 -6.003 1.00 0.00 C ATOM 1327 C THR A 87 2.350 -8.754 -6.914 1.00 0.00 C ATOM 1328 O THR A 87 1.589 -9.589 -6.473 1.00 0.00 O ATOM 1329 CB THR A 87 4.061 -8.433 -5.104 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.155 -7.555 -4.886 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.568 -9.721 -5.763 1.00 0.00 C ATOM 0 H THR A 87 1.189 -7.607 -4.916 1.00 0.00 H new ATOM 0 HA THR A 87 3.536 -6.998 -6.626 1.00 0.00 H new ATOM 0 HB THR A 87 3.588 -8.689 -4.156 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.838 -6.628 -4.897 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.298 -10.201 -5.111 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.730 -10.398 -5.930 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.037 -9.481 -6.717 1.00 0.00 H new ATOM 1339 N ALA A 88 2.629 -8.701 -8.186 1.00 0.00 N ATOM 1340 CA ALA A 88 2.007 -9.676 -9.119 1.00 0.00 C ATOM 1341 C ALA A 88 2.525 -11.078 -8.797 1.00 0.00 C ATOM 1342 O ALA A 88 3.590 -11.471 -9.228 1.00 0.00 O ATOM 1343 CB ALA A 88 2.373 -9.310 -10.559 1.00 0.00 C ATOM 0 H ALA A 88 3.260 -8.026 -8.618 1.00 0.00 H new ATOM 0 HA ALA A 88 0.923 -9.652 -9.007 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.917 -10.025 -11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.007 -8.308 -10.784 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.456 -9.335 -10.677 1.00 0.00 H new ATOM 1349 N GLU A 89 1.780 -11.829 -8.033 1.00 0.00 N ATOM 1350 CA GLU A 89 2.223 -13.205 -7.669 1.00 0.00 C ATOM 1351 C GLU A 89 3.340 -13.115 -6.628 1.00 0.00 C ATOM 1352 O GLU A 89 4.419 -12.630 -6.905 1.00 0.00 O ATOM 1353 CB GLU A 89 2.742 -13.925 -8.916 1.00 0.00 C ATOM 1354 CG GLU A 89 2.391 -15.412 -8.831 1.00 0.00 C ATOM 1355 CD GLU A 89 3.305 -16.207 -9.764 1.00 0.00 C ATOM 1356 OE1 GLU A 89 3.653 -15.683 -10.809 1.00 0.00 O ATOM 1357 OE2 GLU A 89 3.643 -17.329 -9.419 1.00 0.00 O ATOM 0 H GLU A 89 0.880 -11.548 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 89 1.382 -13.762 -7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.301 -13.487 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.822 -13.800 -8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.504 -15.765 -7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.348 -15.567 -9.108 1.00 0.00 H new ATOM 1364 N ALA A 90 3.087 -13.578 -5.432 1.00 0.00 N ATOM 1365 CA ALA A 90 4.133 -13.523 -4.369 1.00 0.00 C ATOM 1366 C ALA A 90 5.472 -13.987 -4.950 1.00 0.00 C ATOM 1367 O ALA A 90 5.768 -15.165 -4.998 1.00 0.00 O ATOM 1368 CB ALA A 90 3.725 -14.434 -3.207 1.00 0.00 C ATOM 0 H ALA A 90 2.200 -13.992 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 90 4.235 -12.501 -4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.488 -14.395 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.772 -14.097 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.624 -15.458 -3.566 1.00 0.00 H new ATOM 1374 N LYS A 91 6.283 -13.064 -5.396 1.00 0.00 N ATOM 1375 CA LYS A 91 7.602 -13.446 -5.979 1.00 0.00 C ATOM 1376 C LYS A 91 8.517 -13.964 -4.870 1.00 0.00 C ATOM 1377 O LYS A 91 9.704 -14.134 -5.062 1.00 0.00 O ATOM 1378 CB LYS A 91 8.244 -12.221 -6.637 1.00 0.00 C ATOM 1379 CG LYS A 91 7.960 -12.231 -8.142 1.00 0.00 C ATOM 1380 CD LYS A 91 8.978 -13.130 -8.850 1.00 0.00 C ATOM 1381 CE LYS A 91 10.227 -12.317 -9.190 1.00 0.00 C ATOM 1382 NZ LYS A 91 10.065 -11.690 -10.533 1.00 0.00 N ATOM 0 H LYS A 91 6.089 -12.063 -5.382 1.00 0.00 H new ATOM 0 HA LYS A 91 7.456 -14.226 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.850 -11.308 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.320 -12.224 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.949 -12.592 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.016 -11.218 -8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.242 -13.972 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.543 -13.545 -9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.389 -11.547 -8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.106 -12.961 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.915 -11.137 -10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.931 -12.432 -11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.236 -11.062 -10.525 1.00 0.00 H new ATOM 1396 N LYS A 92 7.973 -14.215 -3.710 1.00 0.00 N ATOM 1397 CA LYS A 92 8.802 -14.723 -2.581 1.00 0.00 C ATOM 1398 C LYS A 92 9.918 -13.723 -2.266 1.00 0.00 C ATOM 1399 O LYS A 92 9.832 -12.969 -1.321 1.00 0.00 O ATOM 1400 CB LYS A 92 9.414 -16.079 -2.955 1.00 0.00 C ATOM 1401 CG LYS A 92 8.341 -16.970 -3.583 1.00 0.00 C ATOM 1402 CD LYS A 92 8.957 -18.319 -3.962 1.00 0.00 C ATOM 1403 CE LYS A 92 8.343 -19.424 -3.102 1.00 0.00 C ATOM 1404 NZ LYS A 92 6.916 -19.617 -3.487 1.00 0.00 N ATOM 0 H LYS A 92 6.984 -14.089 -3.495 1.00 0.00 H new ATOM 0 HA LYS A 92 8.170 -14.845 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.238 -15.937 -3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.827 -16.560 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.519 -17.117 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.924 -16.487 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.782 -18.526 -5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.037 -18.290 -3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.896 -20.354 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.414 -19.160 -2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.619 -20.584 -3.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.322 -18.935 -2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.809 -19.466 -4.510 1.00 0.00 H new ATOM 1418 N GLU A 93 10.966 -13.714 -3.043 1.00 0.00 N ATOM 1419 CA GLU A 93 12.086 -12.768 -2.780 1.00 0.00 C ATOM 1420 C GLU A 93 11.537 -11.369 -2.484 1.00 0.00 C ATOM 1421 O GLU A 93 11.948 -10.717 -1.545 1.00 0.00 O ATOM 1422 CB GLU A 93 12.997 -12.703 -4.010 1.00 0.00 C ATOM 1423 CG GLU A 93 13.687 -14.054 -4.212 1.00 0.00 C ATOM 1424 CD GLU A 93 14.845 -13.893 -5.199 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.753 -13.027 -6.054 1.00 0.00 O ATOM 1426 OE2 GLU A 93 15.803 -14.639 -5.085 1.00 0.00 O ATOM 0 H GLU A 93 11.095 -14.323 -3.851 1.00 0.00 H new ATOM 0 HA GLU A 93 12.652 -13.120 -1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.413 -12.446 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.743 -11.918 -3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.057 -14.431 -3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.973 -14.786 -4.589 1.00 0.00 H new ATOM 1433 N ASN A 94 10.619 -10.899 -3.282 1.00 0.00 N ATOM 1434 CA ASN A 94 10.051 -9.542 -3.059 1.00 0.00 C ATOM 1435 C ASN A 94 9.195 -9.526 -1.790 1.00 0.00 C ATOM 1436 O ASN A 94 9.577 -8.968 -0.783 1.00 0.00 O ATOM 1437 CB ASN A 94 9.183 -9.172 -4.254 1.00 0.00 C ATOM 1438 CG ASN A 94 10.009 -9.267 -5.538 1.00 0.00 C ATOM 1439 OD1 ASN A 94 11.193 -9.533 -5.494 1.00 0.00 O ATOM 1440 ND2 ASN A 94 9.428 -9.064 -6.688 1.00 0.00 N ATOM 0 H ASN A 94 10.236 -11.400 -4.084 1.00 0.00 H new ATOM 0 HA ASN A 94 10.864 -8.825 -2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.323 -9.840 -4.312 1.00 0.00 H new ATOM 0 HB3 ASN A 94 8.794 -8.161 -4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.968 -9.129 -7.551 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.433 -8.841 -6.725 1.00 0.00 H new ATOM 1447 N ILE A 95 8.036 -10.120 -1.836 1.00 0.00 N ATOM 1448 CA ILE A 95 7.152 -10.127 -0.633 1.00 0.00 C ATOM 1449 C ILE A 95 7.994 -10.453 0.606 1.00 0.00 C ATOM 1450 O ILE A 95 7.959 -9.735 1.582 1.00 0.00 O ATOM 1451 CB ILE A 95 6.002 -11.148 -0.829 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.305 -11.492 0.525 1.00 0.00 C ATOM 1453 CG2 ILE A 95 6.527 -12.411 -1.511 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.281 -13.004 0.790 1.00 0.00 C ATOM 0 H ILE A 95 7.661 -10.601 -2.653 1.00 0.00 H new ATOM 0 HA ILE A 95 6.699 -9.145 -0.492 1.00 0.00 H new ATOM 0 HB ILE A 95 5.250 -10.691 -1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.826 -10.989 1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.285 -11.109 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.710 -13.120 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.944 -12.152 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.303 -12.863 -0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.787 -13.199 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.736 -13.505 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.302 -13.383 0.827 1.00 0.00 H new ATOM 1466 N ILE A 96 8.743 -11.514 0.591 1.00 0.00 N ATOM 1467 CA ILE A 96 9.561 -11.836 1.793 1.00 0.00 C ATOM 1468 C ILE A 96 10.470 -10.653 2.122 1.00 0.00 C ATOM 1469 O ILE A 96 10.775 -10.398 3.269 1.00 0.00 O ATOM 1470 CB ILE A 96 10.413 -13.081 1.536 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.502 -14.281 1.268 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.280 -13.367 2.763 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.336 -15.441 0.723 1.00 0.00 C ATOM 0 H ILE A 96 8.826 -12.166 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 96 8.895 -12.032 2.633 1.00 0.00 H new ATOM 0 HB ILE A 96 11.051 -12.909 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.998 -14.581 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.726 -14.009 0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.887 -14.254 2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.931 -12.514 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.640 -13.537 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.688 -16.296 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.819 -15.137 -0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.096 -15.718 1.454 1.00 0.00 H new ATOM 1485 N ALA A 97 10.905 -9.922 1.131 1.00 0.00 N ATOM 1486 CA ALA A 97 11.786 -8.756 1.414 1.00 0.00 C ATOM 1487 C ALA A 97 10.953 -7.650 2.065 1.00 0.00 C ATOM 1488 O ALA A 97 11.348 -7.065 3.054 1.00 0.00 O ATOM 1489 CB ALA A 97 12.416 -8.244 0.115 1.00 0.00 C ATOM 0 H ALA A 97 10.690 -10.081 0.147 1.00 0.00 H new ATOM 0 HA ALA A 97 12.586 -9.058 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.058 -7.391 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.009 -9.038 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.630 -7.938 -0.575 1.00 0.00 H new ATOM 1495 N ALA A 98 9.795 -7.371 1.532 1.00 0.00 N ATOM 1496 CA ALA A 98 8.937 -6.313 2.141 1.00 0.00 C ATOM 1497 C ALA A 98 8.518 -6.756 3.533 1.00 0.00 C ATOM 1498 O ALA A 98 8.625 -6.017 4.491 1.00 0.00 O ATOM 1499 CB ALA A 98 7.674 -6.098 1.309 1.00 0.00 C ATOM 0 H ALA A 98 9.407 -7.826 0.706 1.00 0.00 H new ATOM 0 HA ALA A 98 9.507 -5.385 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.062 -5.323 1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.951 -5.790 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.107 -7.028 1.262 1.00 0.00 H new ATOM 1505 N ALA A 99 8.030 -7.957 3.653 1.00 0.00 N ATOM 1506 CA ALA A 99 7.596 -8.433 4.977 1.00 0.00 C ATOM 1507 C ALA A 99 8.804 -8.438 5.914 1.00 0.00 C ATOM 1508 O ALA A 99 8.678 -8.217 7.101 1.00 0.00 O ATOM 1509 CB ALA A 99 7.030 -9.844 4.859 1.00 0.00 C ATOM 0 H ALA A 99 7.916 -8.623 2.889 1.00 0.00 H new ATOM 0 HA ALA A 99 6.821 -7.776 5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.710 -10.191 5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.177 -9.838 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.798 -10.513 4.470 1.00 0.00 H new ATOM 1515 N GLN A 100 9.983 -8.669 5.390 1.00 0.00 N ATOM 1516 CA GLN A 100 11.181 -8.644 6.269 1.00 0.00 C ATOM 1517 C GLN A 100 11.147 -7.310 6.994 1.00 0.00 C ATOM 1518 O GLN A 100 11.514 -7.191 8.145 1.00 0.00 O ATOM 1519 CB GLN A 100 12.457 -8.745 5.428 1.00 0.00 C ATOM 1520 CG GLN A 100 13.307 -9.918 5.921 1.00 0.00 C ATOM 1521 CD GLN A 100 12.602 -11.235 5.594 1.00 0.00 C ATOM 1522 OE1 GLN A 100 12.790 -11.790 4.529 1.00 0.00 O ATOM 1523 NE2 GLN A 100 11.790 -11.762 6.469 1.00 0.00 N ATOM 0 H GLN A 100 10.161 -8.870 4.406 1.00 0.00 H new ATOM 0 HA GLN A 100 11.176 -9.481 6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.202 -8.884 4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.025 -7.817 5.498 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.289 -9.892 5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.468 -9.837 6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.632 -11.297 7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.314 -12.639 6.259 1.00 0.00 H new ATOM 1532 N ALA A 101 10.649 -6.311 6.320 1.00 0.00 N ATOM 1533 CA ALA A 101 10.510 -4.973 6.943 1.00 0.00 C ATOM 1534 C ALA A 101 9.178 -4.995 7.685 1.00 0.00 C ATOM 1535 O ALA A 101 8.954 -4.277 8.639 1.00 0.00 O ATOM 1536 CB ALA A 101 10.506 -3.899 5.851 1.00 0.00 C ATOM 0 H ALA A 101 10.330 -6.369 5.353 1.00 0.00 H new ATOM 0 HA ALA A 101 11.332 -4.746 7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.404 -2.915 6.309 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.441 -3.944 5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.670 -4.072 5.173 1.00 0.00 H new ATOM 1542 N GLY A 102 8.318 -5.881 7.258 1.00 0.00 N ATOM 1543 CA GLY A 102 7.001 -6.071 7.911 1.00 0.00 C ATOM 1544 C GLY A 102 6.137 -4.837 7.809 1.00 0.00 C ATOM 1545 O GLY A 102 6.036 -4.074 8.750 1.00 0.00 O ATOM 0 H GLY A 102 8.484 -6.495 6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.486 -6.914 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.150 -6.324 8.961 1.00 0.00 H new ATOM 1549 N ALA A 103 5.490 -4.621 6.697 1.00 0.00 N ATOM 1550 CA ALA A 103 4.639 -3.415 6.633 1.00 0.00 C ATOM 1551 C ALA A 103 3.216 -3.755 7.107 1.00 0.00 C ATOM 1552 O ALA A 103 3.004 -4.127 8.244 1.00 0.00 O ATOM 1553 CB ALA A 103 4.643 -3.016 5.152 1.00 0.00 C ATOM 0 H ALA A 103 5.514 -5.206 5.862 1.00 0.00 H new ATOM 0 HA ALA A 103 4.999 -2.608 7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.032 -2.124 5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.665 -2.808 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.236 -3.831 4.554 1.00 0.00 H new ATOM 1559 N SER A 104 2.272 -3.717 6.228 1.00 0.00 N ATOM 1560 CA SER A 104 0.881 -4.129 6.572 1.00 0.00 C ATOM 1561 C SER A 104 0.730 -5.602 6.247 1.00 0.00 C ATOM 1562 O SER A 104 0.278 -6.414 7.031 1.00 0.00 O ATOM 1563 CB SER A 104 -0.148 -3.323 5.786 1.00 0.00 C ATOM 1564 OG SER A 104 -0.172 -1.990 6.273 1.00 0.00 O ATOM 0 H SER A 104 2.399 -3.413 5.263 1.00 0.00 H new ATOM 0 HA SER A 104 0.706 -3.945 7.632 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.101 -3.330 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.134 -3.776 5.885 1.00 0.00 H new ATOM 0 HG SER A 104 -0.865 -1.482 5.801 1.00 0.00 H new ATOM 1570 N GLY A 105 1.087 -5.911 5.027 1.00 0.00 N ATOM 1571 CA GLY A 105 0.967 -7.297 4.499 1.00 0.00 C ATOM 1572 C GLY A 105 1.326 -7.303 3.008 1.00 0.00 C ATOM 1573 O GLY A 105 1.937 -6.374 2.501 1.00 0.00 O ATOM 0 H GLY A 105 1.467 -5.239 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.630 -7.966 5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.048 -7.667 4.642 1.00 0.00 H new ATOM 1577 N TYR A 106 0.940 -8.334 2.302 1.00 0.00 N ATOM 1578 CA TYR A 106 1.244 -8.406 0.842 1.00 0.00 C ATOM 1579 C TYR A 106 0.047 -8.990 0.099 1.00 0.00 C ATOM 1580 O TYR A 106 -0.315 -10.135 0.289 1.00 0.00 O ATOM 1581 CB TYR A 106 2.458 -9.301 0.609 1.00 0.00 C ATOM 1582 CG TYR A 106 2.175 -10.270 -0.526 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.264 -9.849 -1.861 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.844 -11.602 -0.239 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.017 -10.755 -2.898 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.598 -12.505 -1.277 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.683 -12.082 -2.607 1.00 0.00 C ATOM 1588 OH TYR A 106 1.440 -12.974 -3.631 1.00 0.00 O ATOM 0 H TYR A 106 0.426 -9.132 2.675 1.00 0.00 H new ATOM 0 HA TYR A 106 1.454 -7.402 0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.330 -8.692 0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.694 -9.852 1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.523 -8.826 -2.088 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.779 -11.931 0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.084 -10.429 -3.926 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.342 -13.530 -1.052 1.00 0.00 H new ATOM 0 HH TYR A 106 0.685 -13.550 -3.391 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.556 -8.212 -0.754 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.724 -8.707 -1.533 1.00 0.00 C ATOM 1600 C VAL A 107 -1.293 -8.914 -2.981 1.00 0.00 C ATOM 1601 O VAL A 107 -0.613 -8.090 -3.559 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.840 -7.668 -1.486 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.412 -6.436 -2.279 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.113 -8.254 -2.103 1.00 0.00 C ATOM 0 H VAL A 107 -0.288 -7.247 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.083 -9.645 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.036 -7.389 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.206 -5.690 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.505 -6.019 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.219 -6.718 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.909 -7.511 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.920 -8.532 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.417 -9.137 -1.541 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.685 -10.002 -3.577 1.00 0.00 N ATOM 1615 CA VAL A 108 -1.292 -10.242 -4.988 1.00 0.00 C ATOM 1616 C VAL A 108 -2.271 -9.503 -5.910 1.00 0.00 C ATOM 1617 O VAL A 108 -3.443 -9.384 -5.609 1.00 0.00 O ATOM 1618 CB VAL A 108 -1.335 -11.743 -5.284 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -2.620 -12.342 -4.708 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.305 -11.968 -6.797 1.00 0.00 C ATOM 0 H VAL A 108 -2.257 -10.731 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.280 -9.875 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.471 -12.225 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.650 -13.411 -4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.643 -12.184 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.483 -11.858 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.336 -13.037 -7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.168 -11.484 -7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.390 -11.543 -7.210 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.796 -9.001 -7.024 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.687 -8.258 -7.972 1.00 0.00 C ATOM 1632 C LYS A 109 -2.786 -9.037 -9.297 1.00 0.00 C ATOM 1633 O LYS A 109 -1.862 -9.747 -9.639 1.00 0.00 O ATOM 1634 CB LYS A 109 -2.061 -6.881 -8.240 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.595 -7.051 -8.648 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.034 -5.700 -9.106 1.00 0.00 C ATOM 1637 CE LYS A 109 1.351 -5.901 -9.724 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.264 -5.739 -11.203 1.00 0.00 N ATOM 0 H LYS A 109 -0.823 -9.074 -7.320 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.684 -8.146 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.611 -6.368 -9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.130 -6.259 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.014 -7.433 -7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.512 -7.783 -9.451 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.705 -5.244 -9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.030 -5.016 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.054 -5.179 -9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.730 -6.893 -9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.205 -5.876 -11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.606 -6.444 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.920 -4.784 -11.428 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.867 -8.865 -10.041 1.00 0.00 N ATOM 1653 CA PRO A 110 -5.030 -8.011 -9.679 1.00 0.00 C ATOM 1654 C PRO A 110 -5.904 -8.704 -8.626 1.00 0.00 C ATOM 1655 O PRO A 110 -6.253 -9.859 -8.771 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.839 -7.893 -10.980 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.118 -8.736 -12.060 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.976 -9.491 -11.367 1.00 0.00 C ATOM 0 HA PRO A 110 -4.712 -7.052 -9.271 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.857 -8.252 -10.831 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.911 -6.851 -11.293 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.812 -9.435 -12.528 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.730 -8.095 -12.851 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.197 -10.555 -11.286 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.045 -9.400 -11.926 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.278 -8.004 -7.584 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.153 -8.627 -6.545 1.00 0.00 C ATOM 1668 C PHE A 111 -8.581 -8.148 -6.735 1.00 0.00 C ATOM 1669 O PHE A 111 -8.836 -7.089 -7.276 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.716 -8.214 -5.131 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.344 -6.748 -5.119 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.339 -5.762 -5.223 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.001 -6.375 -5.039 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.978 -4.413 -5.250 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.644 -5.024 -5.075 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.631 -4.043 -5.184 1.00 0.00 C ATOM 0 H PHE A 111 -6.017 -7.034 -7.409 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.077 -9.709 -6.653 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.523 -8.400 -4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.866 -8.817 -4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.379 -6.046 -5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.236 -7.132 -4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.742 -3.653 -5.322 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.604 -4.739 -5.018 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.355 -2.999 -5.217 1.00 0.00 H new ATOM 1686 N THR A 112 -9.508 -8.900 -6.243 1.00 0.00 N ATOM 1687 CA THR A 112 -10.926 -8.478 -6.319 1.00 0.00 C ATOM 1688 C THR A 112 -11.211 -7.700 -5.037 1.00 0.00 C ATOM 1689 O THR A 112 -10.619 -7.968 -4.010 1.00 0.00 O ATOM 1690 CB THR A 112 -11.840 -9.703 -6.400 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.131 -10.785 -6.988 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.067 -9.371 -7.249 1.00 0.00 C ATOM 0 H THR A 112 -9.347 -9.798 -5.786 1.00 0.00 H new ATOM 0 HA THR A 112 -11.109 -7.870 -7.205 1.00 0.00 H new ATOM 0 HB THR A 112 -12.161 -9.983 -5.397 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.715 -11.570 -7.038 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.717 -10.244 -7.306 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.611 -8.543 -6.794 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.749 -9.089 -8.253 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.076 -6.732 -5.071 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.343 -5.953 -3.830 1.00 0.00 C ATOM 1702 C ALA A 113 -12.577 -6.907 -2.665 1.00 0.00 C ATOM 1703 O ALA A 113 -12.350 -6.566 -1.524 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.576 -5.068 -4.025 1.00 0.00 C ATOM 0 H ALA A 113 -12.607 -6.446 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.481 -5.322 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.765 -4.501 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.402 -4.379 -4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.440 -5.693 -4.250 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.011 -8.104 -2.933 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.232 -9.060 -1.818 1.00 0.00 C ATOM 1712 C ALA A 114 -11.876 -9.534 -1.306 1.00 0.00 C ATOM 1713 O ALA A 114 -11.696 -9.775 -0.129 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.054 -10.253 -2.309 1.00 0.00 C ATOM 0 H ALA A 114 -13.220 -8.459 -3.866 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.780 -8.571 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.212 -10.950 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.018 -9.903 -2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.519 -10.757 -3.113 1.00 0.00 H new ATOM 1720 N THR A 115 -10.914 -9.654 -2.176 1.00 0.00 N ATOM 1721 CA THR A 115 -9.568 -10.090 -1.726 1.00 0.00 C ATOM 1722 C THR A 115 -8.916 -8.943 -0.959 1.00 0.00 C ATOM 1723 O THR A 115 -8.630 -9.071 0.216 1.00 0.00 O ATOM 1724 CB THR A 115 -8.708 -10.461 -2.928 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.308 -9.943 -4.097 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.603 -11.983 -3.035 1.00 0.00 C ATOM 0 H THR A 115 -11.002 -9.469 -3.175 1.00 0.00 H new ATOM 0 HA THR A 115 -9.661 -10.965 -1.083 1.00 0.00 H new ATOM 0 HB THR A 115 -7.708 -10.043 -2.810 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.384 -8.969 -4.022 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.988 -12.246 -3.895 1.00 0.00 H new ATOM 0 HG22 THR A 115 -8.148 -12.381 -2.128 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.599 -12.409 -3.158 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.672 -7.814 -1.588 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.044 -6.709 -0.822 1.00 0.00 C ATOM 1736 C LEU A 116 -8.866 -6.474 0.453 1.00 0.00 C ATOM 1737 O LEU A 116 -8.327 -6.194 1.505 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.026 -5.410 -1.652 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.596 -4.855 -1.852 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.690 -3.399 -2.299 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.784 -4.885 -0.554 1.00 0.00 C ATOM 0 H LEU A 116 -8.876 -7.621 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.017 -6.981 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.479 -5.598 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.638 -4.657 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.101 -5.480 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.687 -2.997 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.242 -3.341 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.208 -2.817 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.787 -4.487 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.283 -4.278 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.704 -5.912 -0.199 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.175 -6.582 0.370 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.014 -6.358 1.577 1.00 0.00 C ATOM 1755 C GLU A 117 -10.725 -7.445 2.612 1.00 0.00 C ATOM 1756 O GLU A 117 -10.443 -7.164 3.760 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.496 -6.398 1.192 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.363 -6.318 2.452 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.934 -7.702 2.769 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -13.149 -8.619 2.945 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.147 -7.821 2.829 1.00 0.00 O ATOM 0 H GLU A 117 -10.688 -6.815 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.779 -5.382 2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.730 -5.568 0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.715 -7.316 0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.770 -5.957 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.173 -5.604 2.304 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.789 -8.682 2.213 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.515 -9.789 3.172 1.00 0.00 C ATOM 1770 C GLU A 118 -9.224 -9.477 3.928 1.00 0.00 C ATOM 1771 O GLU A 118 -9.166 -9.550 5.138 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.361 -11.106 2.404 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.222 -12.270 3.389 1.00 0.00 C ATOM 1774 CD GLU A 118 -11.526 -12.442 4.172 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -12.564 -12.544 3.539 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.464 -12.467 5.390 1.00 0.00 O ATOM 0 H GLU A 118 -11.019 -8.976 1.264 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.341 -9.884 3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.226 -11.265 1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.485 -11.059 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.986 -13.188 2.851 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.397 -12.082 4.075 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.192 -9.111 3.220 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.909 -8.774 3.893 1.00 0.00 C ATOM 1785 C LYS A 119 -7.137 -7.580 4.818 1.00 0.00 C ATOM 1786 O LYS A 119 -6.645 -7.533 5.927 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.865 -8.398 2.838 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.474 -9.635 2.027 1.00 0.00 C ATOM 1789 CD LYS A 119 -3.976 -9.896 2.188 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.585 -11.142 1.392 1.00 0.00 C ATOM 1791 NZ LYS A 119 -3.836 -12.357 2.218 1.00 0.00 N ATOM 0 H LYS A 119 -8.183 -9.031 2.203 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.556 -9.631 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.265 -7.630 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.984 -7.975 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.043 -10.500 2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.717 -9.485 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.407 -9.035 1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.731 -10.033 3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.161 -11.192 0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.533 -11.092 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.570 -13.205 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.268 -12.309 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.845 -12.406 2.466 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.878 -6.611 4.359 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.139 -5.410 5.196 1.00 0.00 C ATOM 1807 C LEU A 120 -8.824 -5.823 6.502 1.00 0.00 C ATOM 1808 O LEU A 120 -8.314 -5.588 7.575 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.047 -4.437 4.431 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.571 -3.000 4.660 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.410 -2.688 3.714 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.718 -2.024 4.388 1.00 0.00 C ATOM 0 H LEU A 120 -8.315 -6.600 3.437 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.191 -4.923 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.031 -4.670 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.078 -4.547 4.766 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.242 -2.894 5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.072 -1.665 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.588 -3.377 3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.742 -2.800 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.374 -1.003 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.051 -2.133 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.547 -2.240 5.062 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.976 -6.428 6.423 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.686 -6.838 7.670 1.00 0.00 C ATOM 1826 C ASN A 121 -9.772 -7.704 8.540 1.00 0.00 C ATOM 1827 O ASN A 121 -9.856 -7.681 9.752 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.942 -7.630 7.304 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.176 -6.745 7.490 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -14.089 -7.099 8.210 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.241 -5.600 6.868 1.00 0.00 N ATOM 0 H ASN A 121 -10.457 -6.656 5.553 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.964 -5.945 8.229 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.880 -7.973 6.271 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -12.020 -8.518 7.931 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.058 -5.001 6.986 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.474 -5.304 6.264 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.905 -8.468 7.940 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.997 -9.331 8.747 1.00 0.00 C ATOM 1840 C LYS A 122 -6.847 -8.490 9.303 1.00 0.00 C ATOM 1841 O LYS A 122 -6.230 -8.839 10.291 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.431 -10.446 7.864 1.00 0.00 C ATOM 1843 CG LYS A 122 -8.036 -11.787 8.284 1.00 0.00 C ATOM 1844 CD LYS A 122 -7.511 -12.899 7.369 1.00 0.00 C ATOM 1845 CE LYS A 122 -5.992 -13.016 7.515 1.00 0.00 C ATOM 1846 NZ LYS A 122 -5.571 -14.416 7.222 1.00 0.00 N ATOM 0 H LYS A 122 -8.785 -8.533 6.929 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.557 -9.769 9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.657 -10.245 6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.345 -10.480 7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -7.779 -12.004 9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.124 -11.740 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.984 -13.847 7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.770 -12.683 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.496 -12.325 6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.690 -12.738 8.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.539 -14.496 7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.034 -15.065 7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.846 -14.665 6.250 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.546 -7.389 8.673 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.430 -6.531 9.159 1.00 0.00 C ATOM 1862 C ILE A 123 -5.952 -5.500 10.162 1.00 0.00 C ATOM 1863 O ILE A 123 -5.306 -5.192 11.143 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.799 -5.804 7.972 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.885 -6.769 7.214 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.981 -4.614 8.477 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.512 -6.165 5.860 1.00 0.00 C ATOM 0 H ILE A 123 -7.026 -7.046 7.841 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.687 -7.160 9.650 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.583 -5.446 7.305 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.985 -6.966 7.796 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.388 -7.725 7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.531 -4.096 7.630 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.633 -3.928 9.018 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.195 -4.969 9.144 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.861 -6.854 5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.417 -5.991 5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.992 -5.220 6.014 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.111 -4.952 9.919 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.659 -3.931 10.852 1.00 0.00 C ATOM 1881 C PHE A 124 -8.154 -4.607 12.126 1.00 0.00 C ATOM 1882 O PHE A 124 -7.963 -4.101 13.214 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.800 -3.182 10.170 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.211 -2.077 9.331 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.536 -2.388 8.146 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.328 -0.744 9.740 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.981 -1.369 7.369 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.772 0.277 8.962 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.098 -0.037 7.776 1.00 0.00 C ATOM 0 H PHE A 124 -7.701 -5.168 9.115 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.876 -3.221 11.117 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.381 -3.862 9.547 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.482 -2.770 10.914 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.444 -3.417 7.832 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.847 -0.503 10.656 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.461 -1.610 6.453 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -7.863 1.306 9.276 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.668 0.751 7.175 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.771 -5.751 12.016 1.00 0.00 N ATOM 1900 CA GLU A 125 -9.241 -6.441 13.241 1.00 0.00 C ATOM 1901 C GLU A 125 -8.070 -6.512 14.213 1.00 0.00 C ATOM 1902 O GLU A 125 -8.238 -6.666 15.406 1.00 0.00 O ATOM 1903 CB GLU A 125 -9.716 -7.850 12.882 1.00 0.00 C ATOM 1904 CG GLU A 125 -11.155 -7.787 12.366 1.00 0.00 C ATOM 1905 CD GLU A 125 -12.119 -7.701 13.550 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -12.253 -6.623 14.103 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -12.708 -8.716 13.884 1.00 0.00 O ATOM 0 H GLU A 125 -8.967 -6.231 11.138 1.00 0.00 H new ATOM 0 HA GLU A 125 -10.073 -5.902 13.695 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.065 -8.282 12.123 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -9.660 -8.498 13.757 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -11.282 -6.921 11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -11.377 -8.670 11.767 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.878 -6.368 13.700 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.677 -6.389 14.571 1.00 0.00 C ATOM 1916 C LYS A 126 -5.310 -4.943 14.900 1.00 0.00 C ATOM 1917 O LYS A 126 -4.738 -4.653 15.931 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.518 -7.063 13.835 1.00 0.00 C ATOM 1919 CG LYS A 126 -4.869 -8.527 13.562 1.00 0.00 C ATOM 1920 CD LYS A 126 -4.329 -9.403 14.695 1.00 0.00 C ATOM 1921 CE LYS A 126 -5.058 -10.748 14.693 1.00 0.00 C ATOM 1922 NZ LYS A 126 -4.215 -11.770 15.374 1.00 0.00 N ATOM 0 H LYS A 126 -6.688 -6.236 12.707 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.879 -6.947 15.486 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.319 -6.545 12.897 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.609 -7.001 14.433 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -5.950 -8.644 13.482 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.443 -8.842 12.610 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.257 -9.558 14.570 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.469 -8.903 15.653 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -6.017 -10.655 15.202 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.269 -11.058 13.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -4.710 -12.685 15.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -3.310 -11.865 14.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -4.036 -11.474 16.355 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.655 -4.029 14.029 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.347 -2.597 14.290 1.00 0.00 C ATOM 1938 C LEU A 127 -6.331 -2.070 15.336 1.00 0.00 C ATOM 1939 O LEU A 127 -6.075 -1.089 16.007 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.481 -1.782 12.993 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.799 -0.418 13.163 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -3.279 -0.592 13.293 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.102 0.455 11.945 1.00 0.00 C ATOM 0 H LEU A 127 -6.137 -4.216 13.149 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.325 -2.501 14.656 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.028 -2.325 12.163 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.534 -1.644 12.746 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.181 0.056 14.067 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.810 0.385 13.413 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.057 -1.211 14.162 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.890 -1.074 12.396 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.619 1.425 12.063 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.724 -0.031 11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.179 0.595 11.857 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.455 -2.723 15.489 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.449 -2.268 16.501 1.00 0.00 C ATOM 1957 C GLY A 128 -9.345 -1.182 15.903 1.00 0.00 C ATOM 1958 O GLY A 128 -9.246 -0.024 16.254 1.00 0.00 O ATOM 0 H GLY A 128 -7.725 -3.550 14.957 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.056 -3.111 16.831 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.934 -1.882 17.381 1.00 0.00 H new ATOM 1962 N MET A 129 -10.221 -1.553 15.005 1.00 0.00 N ATOM 1963 CA MET A 129 -11.136 -0.552 14.382 1.00 0.00 C ATOM 1964 C MET A 129 -12.556 -1.118 14.344 1.00 0.00 C ATOM 1965 O MET A 129 -13.440 -0.417 13.881 1.00 0.00 O ATOM 1966 CB MET A 129 -10.667 -0.255 12.957 1.00 0.00 C ATOM 1967 CG MET A 129 -10.043 1.140 12.905 1.00 0.00 C ATOM 1968 SD MET A 129 -11.321 2.387 13.199 1.00 0.00 S ATOM 1969 CE MET A 129 -10.231 3.673 13.859 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.736 -2.244 14.780 1.00 0.00 O ATOM 0 H MET A 129 -10.342 -2.511 14.675 1.00 0.00 H new ATOM 0 HA MET A 129 -11.126 0.367 14.967 1.00 0.00 H new ATOM 0 HB2 MET A 129 -9.940 -1.002 12.639 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.508 -0.315 12.266 1.00 0.00 H new ATOM 0 HG2 MET A 129 -9.257 1.226 13.655 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.576 1.305 11.934 1.00 0.00 H new ATOM 0 HE1 MET A 129 -10.693 4.650 13.717 1.00 0.00 H new ATOM 0 HE2 MET A 129 -10.067 3.500 14.923 1.00 0.00 H new ATOM 0 HE3 MET A 129 -9.275 3.644 13.335 1.00 0.00 H new TER 1980 MET A 129