USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 50 TYR OH : rot 20:sc= -0.32 USER MOD Set 1.2: A 60 ASN : amide:sc= -3.59 K(o=-3.9,f=-10!) USER MOD Set 2.1: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 GLN : amide:sc= -8.43! C(o=-11!,f=-18!) USER MOD Set 2.3: A 35 TYR OH : rot 30:sc= -2.46! USER MOD Single : A 1 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.0052) USER MOD Single : A 1 ASN N :NH3+ -177:sc= 0 (180deg=-0.0051) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.54) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -134:sc= 1.24 USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= 0.0263 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -87:sc= 0.535 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.35) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 141:sc= -0.87 (180deg=-2.63!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0867 X(o=-0.087,f=-0.084) USER MOD Single : A 49 MET CE :methyl -155:sc= -1.66 (180deg=-2.99!) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0378) USER MOD Single : A 55 MET CE :methyl 162:sc= -0.015 (180deg=-0.224) USER MOD Single : A 56 ASN : amide:sc= -7.21! C(o=-7.2!,f=-20!) USER MOD Single : A 57 THR OG1 : rot 76:sc= 0.438 USER MOD Single : A 62 THR OG1 : rot -140:sc= -1.15 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -116:sc= 0.343 (180deg=-0.704) USER MOD Single : A 75 GLN : amide:sc= -0.796 X(o=-0.8,f=-0.5) USER MOD Single : A 76 SER OG : rot 43:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -12.133 -0.027 -0.940 1.00 0.00 N ATOM 2 CA ASN A 1 -12.417 -1.486 -0.908 1.00 0.00 C ATOM 3 C ASN A 1 -12.548 -1.990 0.526 1.00 0.00 C ATOM 4 O ASN A 1 -11.648 -1.803 1.344 1.00 0.00 O ATOM 5 CB ASN A 1 -11.282 -2.219 -1.625 1.00 0.00 C ATOM 6 CG ASN A 1 -11.292 -1.979 -3.122 1.00 0.00 C ATOM 7 OD1 ASN A 1 -10.290 -1.562 -3.702 1.00 0.00 O ATOM 8 ND2 ASN A 1 -12.429 -2.240 -3.755 1.00 0.00 N ATOM 0 H1 ASN A 1 -12.099 0.299 -1.927 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.883 0.484 -0.432 1.00 0.00 H new ATOM 0 H3 ASN A 1 -11.217 0.159 -0.483 1.00 0.00 H new ATOM 0 HA ASN A 1 -13.365 -1.678 -1.411 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -10.326 -1.893 -1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -11.364 -3.288 -1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -12.496 -2.096 -4.763 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -13.235 -2.585 -3.234 1.00 0.00 H new ATOM 16 N LYS A 2 -13.673 -2.632 0.822 1.00 0.00 N ATOM 17 CA LYS A 2 -13.921 -3.164 2.156 1.00 0.00 C ATOM 18 C LYS A 2 -14.408 -4.607 2.085 1.00 0.00 C ATOM 19 O LYS A 2 -15.265 -5.024 2.864 1.00 0.00 O ATOM 20 CB LYS A 2 -14.951 -2.301 2.889 1.00 0.00 C ATOM 21 CG LYS A 2 -14.340 -1.127 3.637 1.00 0.00 C ATOM 22 CD LYS A 2 -14.103 0.058 2.715 1.00 0.00 C ATOM 23 CE LYS A 2 -13.802 1.323 3.502 1.00 0.00 C ATOM 24 NZ LYS A 2 -12.803 2.183 2.810 1.00 0.00 N ATOM 0 H LYS A 2 -14.427 -2.796 0.156 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.981 -3.144 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.676 -1.924 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.499 -2.925 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.001 -0.829 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.396 -1.433 4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.272 -0.161 2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.982 0.217 2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.724 1.885 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.428 1.055 4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.625 3.035 3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.915 1.655 2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.170 2.460 1.877 1.00 0.00 H new ATOM 38 N GLU A 3 -13.855 -5.367 1.144 1.00 0.00 N ATOM 39 CA GLU A 3 -14.233 -6.764 0.971 1.00 0.00 C ATOM 40 C GLU A 3 -13.269 -7.684 1.713 1.00 0.00 C ATOM 41 O GLU A 3 -12.839 -8.709 1.183 1.00 0.00 O ATOM 42 CB GLU A 3 -14.261 -7.125 -0.516 1.00 0.00 C ATOM 43 CG GLU A 3 -15.321 -8.154 -0.873 1.00 0.00 C ATOM 44 CD GLU A 3 -14.826 -9.177 -1.876 1.00 0.00 C ATOM 45 OE1 GLU A 3 -14.067 -8.793 -2.790 1.00 0.00 O ATOM 46 OE2 GLU A 3 -15.198 -10.363 -1.748 1.00 0.00 O ATOM 0 H GLU A 3 -13.144 -5.038 0.491 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.230 -6.900 1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.435 -6.220 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.283 -7.508 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.645 -8.666 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.194 -7.644 -1.280 1.00 0.00 H new ATOM 53 N LEU A 4 -12.934 -7.313 2.944 1.00 0.00 N ATOM 54 CA LEU A 4 -12.021 -8.105 3.761 1.00 0.00 C ATOM 55 C LEU A 4 -12.542 -8.234 5.192 1.00 0.00 C ATOM 56 O LEU A 4 -13.252 -9.185 5.518 1.00 0.00 O ATOM 57 CB LEU A 4 -10.617 -7.483 3.755 1.00 0.00 C ATOM 58 CG LEU A 4 -10.575 -5.955 3.614 1.00 0.00 C ATOM 59 CD1 LEU A 4 -9.756 -5.330 4.735 1.00 0.00 C ATOM 60 CD2 LEU A 4 -10.010 -5.559 2.256 1.00 0.00 C ATOM 0 H LEU A 4 -13.281 -6.468 3.398 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.960 -9.104 3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.111 -7.760 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.047 -7.922 2.937 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.595 -5.579 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.741 -4.247 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.204 -5.581 5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.736 -5.714 4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.988 -4.472 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.998 -5.951 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.639 -5.970 1.466 1.00 0.00 H new ATOM 72 N ASP A 5 -12.187 -7.275 6.041 1.00 0.00 N ATOM 73 CA ASP A 5 -12.617 -7.280 7.434 1.00 0.00 C ATOM 74 C ASP A 5 -12.450 -5.888 8.038 1.00 0.00 C ATOM 75 O ASP A 5 -11.938 -4.980 7.384 1.00 0.00 O ATOM 76 CB ASP A 5 -11.822 -8.306 8.258 1.00 0.00 C ATOM 77 CG ASP A 5 -10.907 -9.177 7.416 1.00 0.00 C ATOM 78 OD1 ASP A 5 -10.018 -8.623 6.736 1.00 0.00 O ATOM 79 OD2 ASP A 5 -11.079 -10.414 7.438 1.00 0.00 O ATOM 0 H ASP A 5 -11.600 -6.481 5.786 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.669 -7.563 7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.226 -7.779 9.003 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.520 -8.944 8.801 1.00 0.00 H new ATOM 84 N PRO A 6 -12.880 -5.697 9.295 1.00 0.00 N ATOM 85 CA PRO A 6 -12.773 -4.408 9.975 1.00 0.00 C ATOM 86 C PRO A 6 -11.398 -4.186 10.601 1.00 0.00 C ATOM 87 O PRO A 6 -11.296 -3.760 11.752 1.00 0.00 O ATOM 88 CB PRO A 6 -13.843 -4.514 11.058 1.00 0.00 C ATOM 89 CG PRO A 6 -13.878 -5.964 11.408 1.00 0.00 C ATOM 90 CD PRO A 6 -13.510 -6.720 10.155 1.00 0.00 C ATOM 0 HA PRO A 6 -12.904 -3.568 9.293 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.592 -3.902 11.925 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -14.811 -4.170 10.694 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.178 -6.185 12.213 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.869 -6.254 11.758 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.824 -7.539 10.370 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.388 -7.156 9.679 1.00 0.00 H new ATOM 98 N VAL A 7 -10.343 -4.474 9.841 1.00 0.00 N ATOM 99 CA VAL A 7 -8.981 -4.301 10.332 1.00 0.00 C ATOM 100 C VAL A 7 -7.967 -4.315 9.194 1.00 0.00 C ATOM 101 O VAL A 7 -7.038 -3.509 9.170 1.00 0.00 O ATOM 102 CB VAL A 7 -8.599 -5.391 11.354 1.00 0.00 C ATOM 103 CG1 VAL A 7 -9.114 -5.033 12.740 1.00 0.00 C ATOM 104 CG2 VAL A 7 -9.126 -6.749 10.914 1.00 0.00 C ATOM 0 H VAL A 7 -10.407 -4.827 8.886 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.956 -3.328 10.822 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.512 -5.449 11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.834 -5.815 13.446 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.678 -4.085 13.057 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.200 -4.942 12.712 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.846 -7.504 11.649 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.212 -6.709 10.832 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.698 -7.009 9.946 1.00 0.00 H new ATOM 114 N GLN A 8 -8.144 -5.237 8.254 1.00 0.00 N ATOM 115 CA GLN A 8 -7.234 -5.350 7.119 1.00 0.00 C ATOM 116 C GLN A 8 -7.358 -4.145 6.184 1.00 0.00 C ATOM 117 O GLN A 8 -6.546 -3.970 5.278 1.00 0.00 O ATOM 118 CB GLN A 8 -7.501 -6.646 6.350 1.00 0.00 C ATOM 119 CG GLN A 8 -6.462 -7.726 6.601 1.00 0.00 C ATOM 120 CD GLN A 8 -6.276 -8.025 8.075 1.00 0.00 C ATOM 121 OE1 GLN A 8 -5.187 -7.858 8.622 1.00 0.00 O ATOM 122 NE2 GLN A 8 -7.343 -8.471 8.728 1.00 0.00 N ATOM 0 H GLN A 8 -8.906 -5.915 8.255 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.216 -5.371 7.508 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.484 -7.027 6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.534 -6.426 5.283 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.759 -8.638 6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.509 -7.414 6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.227 -8.595 8.235 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.278 -8.689 9.722 1.00 0.00 H new ATOM 131 N LYS A 9 -8.370 -3.312 6.408 1.00 0.00 N ATOM 132 CA LYS A 9 -8.569 -2.125 5.584 1.00 0.00 C ATOM 133 C LYS A 9 -7.846 -0.924 6.187 1.00 0.00 C ATOM 134 O LYS A 9 -7.663 0.099 5.525 1.00 0.00 O ATOM 135 CB LYS A 9 -10.061 -1.813 5.434 1.00 0.00 C ATOM 136 CG LYS A 9 -10.845 -1.934 6.730 1.00 0.00 C ATOM 137 CD LYS A 9 -11.954 -0.898 6.810 1.00 0.00 C ATOM 138 CE LYS A 9 -11.474 0.380 7.480 1.00 0.00 C ATOM 139 NZ LYS A 9 -11.608 0.313 8.962 1.00 0.00 N ATOM 0 H LYS A 9 -9.061 -3.436 7.148 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.153 -2.327 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.174 -0.801 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.492 -2.489 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.273 -2.933 6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.170 -1.812 7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.315 -0.671 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.797 -1.308 7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.431 0.558 7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.047 1.226 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.270 1.203 9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.607 0.168 9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.041 -0.479 9.326 1.00 0.00 H new ATOM 153 N LEU A 10 -7.433 -1.054 7.446 1.00 0.00 N ATOM 154 CA LEU A 10 -6.729 0.017 8.135 1.00 0.00 C ATOM 155 C LEU A 10 -5.239 -0.018 7.815 1.00 0.00 C ATOM 156 O LEU A 10 -4.601 1.025 7.665 1.00 0.00 O ATOM 157 CB LEU A 10 -6.951 -0.096 9.649 1.00 0.00 C ATOM 158 CG LEU A 10 -5.958 -0.991 10.399 1.00 0.00 C ATOM 159 CD1 LEU A 10 -4.688 -0.222 10.733 1.00 0.00 C ATOM 160 CD2 LEU A 10 -6.595 -1.545 11.665 1.00 0.00 C ATOM 0 H LEU A 10 -7.576 -1.893 8.008 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.128 0.970 7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.908 0.904 10.080 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.958 -0.475 9.823 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.691 -1.826 9.752 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.996 -0.875 11.265 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.221 0.127 9.812 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.935 0.634 11.361 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.877 -2.178 12.186 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.890 -0.721 12.314 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.474 -2.133 11.402 1.00 0.00 H new ATOM 172 N PHE A 11 -4.688 -1.224 7.720 1.00 0.00 N ATOM 173 CA PHE A 11 -3.272 -1.390 7.427 1.00 0.00 C ATOM 174 C PHE A 11 -2.962 -1.009 5.983 1.00 0.00 C ATOM 175 O PHE A 11 -1.839 -0.620 5.667 1.00 0.00 O ATOM 176 CB PHE A 11 -2.834 -2.832 7.722 1.00 0.00 C ATOM 177 CG PHE A 11 -2.886 -3.753 6.534 1.00 0.00 C ATOM 178 CD1 PHE A 11 -4.064 -4.388 6.196 1.00 0.00 C ATOM 179 CD2 PHE A 11 -1.756 -3.983 5.764 1.00 0.00 C ATOM 180 CE1 PHE A 11 -4.123 -5.239 5.108 1.00 0.00 C ATOM 181 CE2 PHE A 11 -1.806 -4.833 4.676 1.00 0.00 C ATOM 182 CZ PHE A 11 -2.992 -5.463 4.348 1.00 0.00 C ATOM 0 H PHE A 11 -5.200 -2.098 7.842 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.706 -0.718 8.073 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.816 -2.817 8.110 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.469 -3.238 8.509 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.951 -4.218 6.789 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.828 -3.493 6.017 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.052 -5.728 4.853 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.920 -5.005 4.083 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.034 -6.129 3.499 1.00 0.00 H new ATOM 192 N VAL A 12 -3.958 -1.118 5.112 1.00 0.00 N ATOM 193 CA VAL A 12 -3.775 -0.778 3.707 1.00 0.00 C ATOM 194 C VAL A 12 -3.767 0.733 3.503 1.00 0.00 C ATOM 195 O VAL A 12 -3.234 1.229 2.510 1.00 0.00 O ATOM 196 CB VAL A 12 -4.875 -1.399 2.825 1.00 0.00 C ATOM 197 CG1 VAL A 12 -4.570 -1.175 1.352 1.00 0.00 C ATOM 198 CG2 VAL A 12 -5.026 -2.883 3.125 1.00 0.00 C ATOM 0 H VAL A 12 -4.896 -1.438 5.353 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.810 -1.188 3.409 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.820 -0.907 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.358 -1.621 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.518 -0.105 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.615 -1.638 1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.807 -3.304 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.083 -3.392 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.296 -3.017 4.173 1.00 0.00 H new ATOM 208 N ASP A 13 -4.356 1.463 4.445 1.00 0.00 N ATOM 209 CA ASP A 13 -4.407 2.917 4.354 1.00 0.00 C ATOM 210 C ASP A 13 -3.321 3.567 5.205 1.00 0.00 C ATOM 211 O ASP A 13 -3.272 4.791 5.330 1.00 0.00 O ATOM 212 CB ASP A 13 -5.784 3.433 4.773 1.00 0.00 C ATOM 213 CG ASP A 13 -6.879 2.998 3.818 1.00 0.00 C ATOM 214 OD1 ASP A 13 -6.839 3.413 2.640 1.00 0.00 O ATOM 215 OD2 ASP A 13 -7.776 2.242 4.248 1.00 0.00 O ATOM 0 H ASP A 13 -4.802 1.074 5.276 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.228 3.189 3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.015 3.072 5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.761 4.522 4.824 1.00 0.00 H new ATOM 220 N LYS A 14 -2.430 2.751 5.759 1.00 0.00 N ATOM 221 CA LYS A 14 -1.329 3.263 6.556 1.00 0.00 C ATOM 222 C LYS A 14 -0.030 2.887 5.884 1.00 0.00 C ATOM 223 O LYS A 14 0.969 3.600 5.986 1.00 0.00 O ATOM 224 CB LYS A 14 -1.384 2.735 7.994 1.00 0.00 C ATOM 225 CG LYS A 14 -1.059 1.255 8.124 1.00 0.00 C ATOM 226 CD LYS A 14 0.247 1.031 8.871 1.00 0.00 C ATOM 227 CE LYS A 14 1.447 1.416 8.023 1.00 0.00 C ATOM 228 NZ LYS A 14 2.707 0.809 8.533 1.00 0.00 N ATOM 0 H LYS A 14 -2.451 1.735 5.669 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.405 4.348 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.685 3.305 8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.380 2.914 8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.870 0.749 8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.992 0.808 7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.247 1.617 9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.326 -0.017 9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.281 1.097 6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.547 2.501 8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.501 1.097 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.879 1.133 9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.622 -0.227 8.523 1.00 0.00 H new ATOM 242 N ILE A 15 -0.065 1.784 5.151 1.00 0.00 N ATOM 243 CA ILE A 15 1.089 1.347 4.415 1.00 0.00 C ATOM 244 C ILE A 15 1.219 2.194 3.148 1.00 0.00 C ATOM 245 O ILE A 15 2.265 2.234 2.504 1.00 0.00 O ATOM 246 CB ILE A 15 0.993 -0.143 4.053 1.00 0.00 C ATOM 247 CG1 ILE A 15 -0.176 -0.384 3.104 1.00 0.00 C ATOM 248 CG2 ILE A 15 0.842 -0.983 5.311 1.00 0.00 C ATOM 249 CD1 ILE A 15 -0.149 -1.758 2.487 1.00 0.00 C ATOM 0 H ILE A 15 -0.884 1.183 5.057 1.00 0.00 H new ATOM 0 HA ILE A 15 1.973 1.474 5.040 1.00 0.00 H new ATOM 0 HB ILE A 15 1.913 -0.440 3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.112 -0.252 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.157 0.366 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.775 -2.036 5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.706 -0.829 5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.064 -0.687 5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.004 -1.875 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.773 -1.884 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.197 -2.511 3.274 1.00 0.00 H new ATOM 261 N ARG A 16 0.156 2.906 2.804 1.00 0.00 N ATOM 262 CA ARG A 16 0.203 3.771 1.647 1.00 0.00 C ATOM 263 C ARG A 16 0.716 5.142 2.067 1.00 0.00 C ATOM 264 O ARG A 16 0.757 6.073 1.264 1.00 0.00 O ATOM 265 CB ARG A 16 -1.177 3.885 0.992 1.00 0.00 C ATOM 266 CG ARG A 16 -2.170 4.715 1.790 1.00 0.00 C ATOM 267 CD ARG A 16 -3.567 4.638 1.196 1.00 0.00 C ATOM 268 NE ARG A 16 -3.679 5.408 -0.040 1.00 0.00 N ATOM 269 CZ ARG A 16 -3.723 6.738 -0.084 1.00 0.00 C ATOM 270 NH1 ARG A 16 -3.664 7.448 1.036 1.00 0.00 N ATOM 271 NH2 ARG A 16 -3.825 7.360 -1.251 1.00 0.00 N ATOM 0 H ARG A 16 -0.733 2.900 3.303 1.00 0.00 H new ATOM 0 HA ARG A 16 0.882 3.343 0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.063 4.326 0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.585 2.884 0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.193 4.364 2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.841 5.754 1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.820 3.596 0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.291 5.010 1.922 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.726 4.897 -0.921 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.585 6.975 1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.698 8.467 0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.870 6.819 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.859 8.379 -1.285 1.00 0.00 H new ATOM 285 N GLU A 17 1.105 5.255 3.342 1.00 0.00 N ATOM 286 CA GLU A 17 1.615 6.504 3.876 1.00 0.00 C ATOM 287 C GLU A 17 3.098 6.396 4.224 1.00 0.00 C ATOM 288 O GLU A 17 3.815 7.397 4.246 1.00 0.00 O ATOM 289 CB GLU A 17 0.820 6.907 5.115 1.00 0.00 C ATOM 290 CG GLU A 17 -0.665 6.598 5.016 1.00 0.00 C ATOM 291 CD GLU A 17 -1.398 7.543 4.084 1.00 0.00 C ATOM 292 OE1 GLU A 17 -0.744 8.123 3.192 1.00 0.00 O ATOM 293 OE2 GLU A 17 -2.626 7.703 4.247 1.00 0.00 O ATOM 0 H GLU A 17 1.073 4.491 4.017 1.00 0.00 H new ATOM 0 HA GLU A 17 1.502 7.268 3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.232 6.393 5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.949 7.976 5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.796 5.574 4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.111 6.655 6.009 1.00 0.00 H new ATOM 300 N TYR A 18 3.554 5.180 4.479 1.00 0.00 N ATOM 301 CA TYR A 18 4.954 4.942 4.808 1.00 0.00 C ATOM 302 C TYR A 18 5.726 4.510 3.560 1.00 0.00 C ATOM 303 O TYR A 18 6.933 4.734 3.461 1.00 0.00 O ATOM 304 CB TYR A 18 5.071 3.863 5.895 1.00 0.00 C ATOM 305 CG TYR A 18 5.033 2.475 5.317 1.00 0.00 C ATOM 306 CD1 TYR A 18 4.022 2.142 4.452 1.00 0.00 C ATOM 307 CD2 TYR A 18 6.003 1.525 5.594 1.00 0.00 C ATOM 308 CE1 TYR A 18 3.952 0.918 3.867 1.00 0.00 C ATOM 309 CE2 TYR A 18 5.945 0.270 5.013 1.00 0.00 C ATOM 310 CZ TYR A 18 4.913 -0.030 4.145 1.00 0.00 C ATOM 311 OH TYR A 18 4.848 -1.270 3.553 1.00 0.00 O ATOM 0 H TYR A 18 2.976 4.340 4.465 1.00 0.00 H new ATOM 0 HA TYR A 18 5.383 5.870 5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.002 4.002 6.445 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.258 3.980 6.611 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.260 2.874 4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.811 1.766 6.269 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.146 0.688 3.186 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.700 -0.469 5.236 1.00 0.00 H new ATOM 0 HH TYR A 18 5.003 -1.963 4.228 1.00 0.00 H new ATOM 321 N ARG A 19 5.023 3.900 2.601 1.00 0.00 N ATOM 322 CA ARG A 19 5.656 3.457 1.367 1.00 0.00 C ATOM 323 C ARG A 19 5.662 4.601 0.371 1.00 0.00 C ATOM 324 O ARG A 19 6.511 4.676 -0.517 1.00 0.00 O ATOM 325 CB ARG A 19 4.920 2.249 0.786 1.00 0.00 C ATOM 326 CG ARG A 19 5.697 1.533 -0.308 1.00 0.00 C ATOM 327 CD ARG A 19 4.799 1.144 -1.472 1.00 0.00 C ATOM 328 NE ARG A 19 5.262 1.718 -2.734 1.00 0.00 N ATOM 329 CZ ARG A 19 5.074 2.988 -3.083 1.00 0.00 C ATOM 330 NH1 ARG A 19 4.447 3.824 -2.264 1.00 0.00 N ATOM 331 NH2 ARG A 19 5.519 3.426 -4.253 1.00 0.00 N ATOM 0 H ARG A 19 4.023 3.705 2.659 1.00 0.00 H new ATOM 0 HA ARG A 19 6.682 3.155 1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.705 1.544 1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.961 2.577 0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.499 2.178 -0.667 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.167 0.640 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.766 0.058 -1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.781 1.479 -1.273 1.00 0.00 H new ATOM 0 HE ARG A 19 5.758 1.109 -3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.106 3.494 -1.361 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.306 4.796 -2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.005 2.789 -4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.375 4.400 -4.521 1.00 0.00 H new ATOM 345 N THR A 20 4.707 5.501 0.548 1.00 0.00 N ATOM 346 CA THR A 20 4.583 6.670 -0.299 1.00 0.00 C ATOM 347 C THR A 20 5.787 7.582 -0.109 1.00 0.00 C ATOM 348 O THR A 20 6.266 8.202 -1.058 1.00 0.00 O ATOM 349 CB THR A 20 3.305 7.416 0.067 1.00 0.00 C ATOM 350 OG1 THR A 20 3.345 8.760 -0.381 1.00 0.00 O ATOM 351 CG2 THR A 20 3.068 7.424 1.549 1.00 0.00 C ATOM 0 H THR A 20 4.000 5.439 1.281 1.00 0.00 H new ATOM 0 HA THR A 20 4.541 6.360 -1.343 1.00 0.00 H new ATOM 0 HB THR A 20 2.492 6.884 -0.427 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.512 9.212 -0.133 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.148 7.965 1.767 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.980 6.399 1.909 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.904 7.913 2.049 1.00 0.00 H new ATOM 359 N LYS A 21 6.275 7.657 1.130 1.00 0.00 N ATOM 360 CA LYS A 21 7.425 8.494 1.441 1.00 0.00 C ATOM 361 C LYS A 21 8.685 7.946 0.784 1.00 0.00 C ATOM 362 O LYS A 21 9.435 8.683 0.146 1.00 0.00 O ATOM 363 CB LYS A 21 7.621 8.592 2.955 1.00 0.00 C ATOM 364 CG LYS A 21 6.563 9.429 3.654 1.00 0.00 C ATOM 365 CD LYS A 21 6.957 9.741 5.088 1.00 0.00 C ATOM 366 CE LYS A 21 5.737 9.875 5.985 1.00 0.00 C ATOM 367 NZ LYS A 21 5.479 8.630 6.761 1.00 0.00 N ATOM 0 H LYS A 21 5.892 7.150 1.928 1.00 0.00 H new ATOM 0 HA LYS A 21 7.235 9.492 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.616 7.588 3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.603 9.019 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.413 10.359 3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.612 8.897 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.605 8.951 5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.533 10.666 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.882 10.708 6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.864 10.112 5.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.881 8.851 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.993 7.938 6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.382 8.231 7.087 1.00 0.00 H new ATOM 381 N ARG A 22 8.906 6.644 0.936 1.00 0.00 N ATOM 382 CA ARG A 22 10.072 5.998 0.348 1.00 0.00 C ATOM 383 C ARG A 22 9.992 6.019 -1.178 1.00 0.00 C ATOM 384 O ARG A 22 10.984 5.770 -1.864 1.00 0.00 O ATOM 385 CB ARG A 22 10.194 4.556 0.857 1.00 0.00 C ATOM 386 CG ARG A 22 9.207 3.588 0.223 1.00 0.00 C ATOM 387 CD ARG A 22 9.526 2.147 0.588 1.00 0.00 C ATOM 388 NE ARG A 22 10.937 1.831 0.380 1.00 0.00 N ATOM 389 CZ ARG A 22 11.468 1.553 -0.809 1.00 0.00 C ATOM 390 NH1 ARG A 22 10.709 1.552 -1.898 1.00 0.00 N ATOM 391 NH2 ARG A 22 12.760 1.275 -0.910 1.00 0.00 N ATOM 0 H ARG A 22 8.294 6.018 1.460 1.00 0.00 H new ATOM 0 HA ARG A 22 10.960 6.553 0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.207 4.200 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.049 4.550 1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.196 3.832 0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.228 3.703 -0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.265 1.971 1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.912 1.476 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 22 11.552 1.823 1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.714 1.765 -1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.121 1.338 -2.806 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.348 1.274 -0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.166 1.062 -1.821 1.00 0.00 H new ATOM 405 N GLN A 23 8.803 6.311 -1.704 1.00 0.00 N ATOM 406 CA GLN A 23 8.592 6.357 -3.145 1.00 0.00 C ATOM 407 C GLN A 23 8.931 7.737 -3.721 1.00 0.00 C ATOM 408 O GLN A 23 8.677 8.001 -4.895 1.00 0.00 O ATOM 409 CB GLN A 23 7.140 5.971 -3.463 1.00 0.00 C ATOM 410 CG GLN A 23 6.264 7.119 -3.950 1.00 0.00 C ATOM 411 CD GLN A 23 4.796 6.749 -3.989 1.00 0.00 C ATOM 412 OE1 GLN A 23 4.400 5.813 -4.682 1.00 0.00 O ATOM 413 NE2 GLN A 23 3.979 7.483 -3.242 1.00 0.00 N ATOM 0 H GLN A 23 7.972 6.519 -1.150 1.00 0.00 H new ATOM 0 HA GLN A 23 9.265 5.641 -3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.145 5.189 -4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.689 5.543 -2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.402 7.980 -3.296 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.586 7.421 -4.947 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.351 8.250 -2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.980 7.279 -3.228 1.00 0.00 H new ATOM 422 N THR A 24 9.506 8.609 -2.895 1.00 0.00 N ATOM 423 CA THR A 24 9.873 9.953 -3.335 1.00 0.00 C ATOM 424 C THR A 24 10.654 9.911 -4.646 1.00 0.00 C ATOM 425 O THR A 24 11.876 9.756 -4.648 1.00 0.00 O ATOM 426 CB THR A 24 10.702 10.655 -2.258 1.00 0.00 C ATOM 427 OG1 THR A 24 11.534 9.729 -1.584 1.00 0.00 O ATOM 428 CG2 THR A 24 9.858 11.356 -1.216 1.00 0.00 C ATOM 0 H THR A 24 9.727 8.409 -1.920 1.00 0.00 H new ATOM 0 HA THR A 24 8.953 10.513 -3.503 1.00 0.00 H new ATOM 0 HB THR A 24 11.291 11.403 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.042 9.332 -0.835 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.508 11.833 -0.482 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.238 12.112 -1.698 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.219 10.628 -0.716 1.00 0.00 H new ATOM 436 N SER A 25 9.940 10.046 -5.759 1.00 0.00 N ATOM 437 CA SER A 25 10.565 10.020 -7.077 1.00 0.00 C ATOM 438 C SER A 25 9.534 10.274 -8.175 1.00 0.00 C ATOM 439 O SER A 25 8.424 10.734 -7.904 1.00 0.00 O ATOM 440 CB SER A 25 11.257 8.674 -7.308 1.00 0.00 C ATOM 441 OG SER A 25 12.455 8.837 -8.047 1.00 0.00 O ATOM 0 H SER A 25 8.928 10.175 -5.775 1.00 0.00 H new ATOM 0 HA SER A 25 11.310 10.815 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.478 8.206 -6.349 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.585 8.003 -7.842 1.00 0.00 H new ATOM 0 HG SER A 25 12.879 7.963 -8.180 1.00 0.00 H new ATOM 447 N GLY A 26 9.910 9.970 -9.413 1.00 0.00 N ATOM 448 CA GLY A 26 9.011 10.170 -10.535 1.00 0.00 C ATOM 449 C GLY A 26 9.534 9.531 -11.806 1.00 0.00 C ATOM 450 O GLY A 26 10.359 10.115 -12.509 1.00 0.00 O ATOM 0 H GLY A 26 10.823 9.588 -9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.034 9.751 -10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.869 11.238 -10.699 1.00 0.00 H new ATOM 454 N GLY A 27 9.060 8.326 -12.097 1.00 0.00 N ATOM 455 CA GLY A 27 9.503 7.624 -13.289 1.00 0.00 C ATOM 456 C GLY A 27 8.677 6.384 -13.589 1.00 0.00 C ATOM 457 O GLY A 27 8.056 6.297 -14.649 1.00 0.00 O ATOM 0 H GLY A 27 8.378 7.822 -11.531 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.455 8.301 -14.142 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.548 7.338 -13.168 1.00 0.00 H new ATOM 461 N PRO A 28 8.649 5.397 -12.674 1.00 0.00 N ATOM 462 CA PRO A 28 7.891 4.157 -12.859 1.00 0.00 C ATOM 463 C PRO A 28 6.484 4.400 -13.398 1.00 0.00 C ATOM 464 O PRO A 28 5.913 3.544 -14.074 1.00 0.00 O ATOM 465 CB PRO A 28 7.828 3.547 -11.446 1.00 0.00 C ATOM 466 CG PRO A 28 8.442 4.562 -10.532 1.00 0.00 C ATOM 467 CD PRO A 28 9.350 5.397 -11.386 1.00 0.00 C ATOM 0 HA PRO A 28 8.366 3.508 -13.595 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.798 3.335 -11.158 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.372 2.603 -11.403 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.675 5.177 -10.062 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.998 4.078 -9.730 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.471 6.405 -10.988 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.347 4.964 -11.465 1.00 0.00 H new ATOM 475 N VAL A 29 5.928 5.569 -13.096 1.00 0.00 N ATOM 476 CA VAL A 29 4.587 5.914 -13.554 1.00 0.00 C ATOM 477 C VAL A 29 4.291 7.389 -13.328 1.00 0.00 C ATOM 478 O VAL A 29 3.293 7.734 -12.695 1.00 0.00 O ATOM 479 CB VAL A 29 3.514 5.076 -12.826 1.00 0.00 C ATOM 480 CG1 VAL A 29 3.537 5.363 -11.329 1.00 0.00 C ATOM 481 CG2 VAL A 29 2.135 5.356 -13.403 1.00 0.00 C ATOM 0 H VAL A 29 6.384 6.291 -12.538 1.00 0.00 H new ATOM 0 HA VAL A 29 4.553 5.697 -14.622 1.00 0.00 H new ATOM 0 HB VAL A 29 3.741 4.021 -12.977 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.774 4.764 -10.832 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.517 5.110 -10.925 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.336 6.421 -11.158 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.392 4.756 -12.877 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.898 6.413 -13.284 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.125 5.099 -14.462 1.00 0.00 H new ATOM 491 N ASP A 30 5.164 8.264 -13.830 1.00 0.00 N ATOM 492 CA ASP A 30 4.977 9.700 -13.646 1.00 0.00 C ATOM 493 C ASP A 30 4.555 9.960 -12.208 1.00 0.00 C ATOM 494 O ASP A 30 3.589 10.675 -11.942 1.00 0.00 O ATOM 495 CB ASP A 30 3.920 10.235 -14.616 1.00 0.00 C ATOM 496 CG ASP A 30 4.367 10.150 -16.062 1.00 0.00 C ATOM 497 OD1 ASP A 30 5.571 10.354 -16.325 1.00 0.00 O ATOM 498 OD2 ASP A 30 3.513 9.879 -16.932 1.00 0.00 O ATOM 0 H ASP A 30 5.996 8.006 -14.360 1.00 0.00 H new ATOM 0 HA ASP A 30 5.914 10.217 -13.853 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.996 9.670 -14.490 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.695 11.272 -14.368 1.00 0.00 H new ATOM 503 N ALA A 31 5.276 9.322 -11.292 1.00 0.00 N ATOM 504 CA ALA A 31 4.999 9.407 -9.866 1.00 0.00 C ATOM 505 C ALA A 31 5.227 10.807 -9.309 1.00 0.00 C ATOM 506 O ALA A 31 5.931 10.987 -8.316 1.00 0.00 O ATOM 507 CB ALA A 31 5.849 8.389 -9.124 1.00 0.00 C ATOM 0 H ALA A 31 6.073 8.728 -11.521 1.00 0.00 H new ATOM 0 HA ALA A 31 3.943 9.183 -9.718 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.642 8.452 -8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.611 7.387 -9.481 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.904 8.597 -9.302 1.00 0.00 H new ATOM 513 N GLY A 32 4.600 11.791 -9.936 1.00 0.00 N ATOM 514 CA GLY A 32 4.715 13.156 -9.474 1.00 0.00 C ATOM 515 C GLY A 32 3.640 13.470 -8.455 1.00 0.00 C ATOM 516 O GLY A 32 3.410 12.680 -7.543 1.00 0.00 O ATOM 0 H GLY A 32 4.012 11.666 -10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.699 13.314 -9.032 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.632 13.839 -10.319 1.00 0.00 H new ATOM 520 N PRO A 33 2.956 14.614 -8.572 1.00 0.00 N ATOM 521 CA PRO A 33 1.907 14.996 -7.646 1.00 0.00 C ATOM 522 C PRO A 33 0.521 14.595 -8.132 1.00 0.00 C ATOM 523 O PRO A 33 -0.437 15.355 -7.989 1.00 0.00 O ATOM 524 CB PRO A 33 2.049 16.512 -7.624 1.00 0.00 C ATOM 525 CG PRO A 33 2.492 16.872 -9.011 1.00 0.00 C ATOM 526 CD PRO A 33 3.145 15.641 -9.608 1.00 0.00 C ATOM 0 HA PRO A 33 2.004 14.513 -6.674 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.105 16.995 -7.372 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.779 16.831 -6.880 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.642 17.188 -9.616 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.194 17.706 -8.986 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.675 15.354 -10.548 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.201 15.809 -9.818 1.00 0.00 H new ATOM 534 N GLU A 34 0.408 13.395 -8.695 1.00 0.00 N ATOM 535 CA GLU A 34 -0.876 12.915 -9.175 1.00 0.00 C ATOM 536 C GLU A 34 -0.774 11.484 -9.673 1.00 0.00 C ATOM 537 O GLU A 34 -0.796 11.216 -10.875 1.00 0.00 O ATOM 538 CB GLU A 34 -1.421 13.827 -10.275 1.00 0.00 C ATOM 539 CG GLU A 34 -0.409 14.140 -11.364 1.00 0.00 C ATOM 540 CD GLU A 34 -1.034 14.196 -12.743 1.00 0.00 C ATOM 541 OE1 GLU A 34 -1.428 13.129 -13.261 1.00 0.00 O ATOM 542 OE2 GLU A 34 -1.129 15.306 -13.308 1.00 0.00 O ATOM 0 H GLU A 34 1.184 12.746 -8.827 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.572 12.933 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.294 13.356 -10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.760 14.761 -9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.069 15.095 -11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.375 13.382 -11.355 1.00 0.00 H new ATOM 549 N TYR A 35 -0.651 10.576 -8.723 1.00 0.00 N ATOM 550 CA TYR A 35 -0.528 9.156 -9.005 1.00 0.00 C ATOM 551 C TYR A 35 -0.791 8.349 -7.733 1.00 0.00 C ATOM 552 O TYR A 35 -0.354 7.207 -7.621 1.00 0.00 O ATOM 553 CB TYR A 35 0.887 8.859 -9.475 1.00 0.00 C ATOM 554 CG TYR A 35 1.837 8.967 -8.323 1.00 0.00 C ATOM 555 CD1 TYR A 35 1.948 10.161 -7.638 1.00 0.00 C ATOM 556 CD2 TYR A 35 2.554 7.873 -7.870 1.00 0.00 C ATOM 557 CE1 TYR A 35 2.758 10.280 -6.542 1.00 0.00 C ATOM 558 CE2 TYR A 35 3.367 7.975 -6.764 1.00 0.00 C ATOM 559 CZ TYR A 35 3.469 9.183 -6.099 1.00 0.00 C ATOM 560 OH TYR A 35 4.282 9.294 -4.995 1.00 0.00 O ATOM 0 H TYR A 35 -0.633 10.803 -7.729 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.251 8.883 -9.774 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.935 7.859 -9.905 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.173 9.558 -10.261 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.384 11.018 -7.974 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.475 6.930 -8.390 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.841 11.226 -6.027 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.922 7.116 -6.417 1.00 0.00 H new ATOM 0 HH TYR A 35 3.919 9.972 -4.388 1.00 0.00 H new ATOM 570 N GLN A 36 -1.479 8.954 -6.766 1.00 0.00 N ATOM 571 CA GLN A 36 -1.770 8.286 -5.495 1.00 0.00 C ATOM 572 C GLN A 36 -2.305 6.871 -5.709 1.00 0.00 C ATOM 573 O GLN A 36 -2.310 6.054 -4.788 1.00 0.00 O ATOM 574 CB GLN A 36 -2.777 9.106 -4.686 1.00 0.00 C ATOM 575 CG GLN A 36 -2.209 10.409 -4.148 1.00 0.00 C ATOM 576 CD GLN A 36 -2.488 11.587 -5.061 1.00 0.00 C ATOM 577 OE1 GLN A 36 -3.642 11.902 -5.354 1.00 0.00 O ATOM 578 NE2 GLN A 36 -1.429 12.247 -5.515 1.00 0.00 N ATOM 0 H GLN A 36 -1.845 9.903 -6.836 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.834 8.210 -4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.640 9.327 -5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.136 8.504 -3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.634 10.608 -3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.132 10.304 -4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.490 11.951 -5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.554 13.050 -6.132 1.00 0.00 H new ATOM 587 N GLN A 37 -2.751 6.587 -6.926 1.00 0.00 N ATOM 588 CA GLN A 37 -3.284 5.271 -7.259 1.00 0.00 C ATOM 589 C GLN A 37 -2.176 4.324 -7.720 1.00 0.00 C ATOM 590 O GLN A 37 -2.369 3.109 -7.765 1.00 0.00 O ATOM 591 CB GLN A 37 -4.352 5.390 -8.347 1.00 0.00 C ATOM 592 CG GLN A 37 -5.714 5.811 -7.818 1.00 0.00 C ATOM 593 CD GLN A 37 -6.849 5.391 -8.732 1.00 0.00 C ATOM 594 OE1 GLN A 37 -7.318 6.175 -9.558 1.00 0.00 O ATOM 595 NE2 GLN A 37 -7.297 4.149 -8.588 1.00 0.00 N ATOM 0 H GLN A 37 -2.754 7.251 -7.700 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.734 4.856 -6.357 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.021 6.114 -9.092 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.449 4.431 -8.856 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.867 5.375 -6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.733 6.894 -7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.879 3.534 -7.890 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.059 3.811 -9.175 1.00 0.00 H new ATOM 604 N ASP A 38 -1.016 4.882 -8.056 1.00 0.00 N ATOM 605 CA ASP A 38 0.113 4.080 -8.506 1.00 0.00 C ATOM 606 C ASP A 38 0.971 3.639 -7.323 1.00 0.00 C ATOM 607 O ASP A 38 1.703 2.653 -7.408 1.00 0.00 O ATOM 608 CB ASP A 38 0.960 4.872 -9.504 1.00 0.00 C ATOM 609 CG ASP A 38 0.727 4.430 -10.934 1.00 0.00 C ATOM 610 OD1 ASP A 38 1.257 3.366 -11.321 1.00 0.00 O ATOM 611 OD2 ASP A 38 0.015 5.146 -11.670 1.00 0.00 O ATOM 0 H ASP A 38 -0.835 5.885 -8.025 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.276 3.189 -8.999 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.729 5.933 -9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.015 4.753 -9.257 1.00 0.00 H new ATOM 616 N LEU A 39 0.871 4.370 -6.217 1.00 0.00 N ATOM 617 CA LEU A 39 1.635 4.047 -5.019 1.00 0.00 C ATOM 618 C LEU A 39 0.950 2.937 -4.230 1.00 0.00 C ATOM 619 O LEU A 39 1.601 2.185 -3.505 1.00 0.00 O ATOM 620 CB LEU A 39 1.799 5.294 -4.143 1.00 0.00 C ATOM 621 CG LEU A 39 0.560 5.699 -3.340 1.00 0.00 C ATOM 622 CD1 LEU A 39 0.527 4.969 -2.006 1.00 0.00 C ATOM 623 CD2 LEU A 39 0.532 7.204 -3.127 1.00 0.00 C ATOM 0 H LEU A 39 0.269 5.189 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 39 2.622 3.697 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.622 5.124 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.087 6.130 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.326 5.416 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.360 5.269 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.499 3.893 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.418 5.221 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.355 7.474 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.424 7.511 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.508 7.708 -4.093 1.00 0.00 H new ATOM 635 N ASP A 40 -0.365 2.840 -4.380 1.00 0.00 N ATOM 636 CA ASP A 40 -1.137 1.818 -3.683 1.00 0.00 C ATOM 637 C ASP A 40 -1.017 0.472 -4.388 1.00 0.00 C ATOM 638 O ASP A 40 -1.226 -0.577 -3.779 1.00 0.00 O ATOM 639 CB ASP A 40 -2.606 2.232 -3.591 1.00 0.00 C ATOM 640 CG ASP A 40 -3.247 1.801 -2.285 1.00 0.00 C ATOM 641 OD1 ASP A 40 -3.138 2.552 -1.294 1.00 0.00 O ATOM 642 OD2 ASP A 40 -3.857 0.711 -2.255 1.00 0.00 O ATOM 0 H ASP A 40 -0.919 3.455 -4.977 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.733 1.717 -2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.683 3.315 -3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.157 1.796 -4.424 1.00 0.00 H new ATOM 647 N ARG A 41 -0.672 0.502 -5.672 1.00 0.00 N ATOM 648 CA ARG A 41 -0.520 -0.725 -6.442 1.00 0.00 C ATOM 649 C ARG A 41 0.769 -1.439 -6.052 1.00 0.00 C ATOM 650 O ARG A 41 0.853 -2.666 -6.119 1.00 0.00 O ATOM 651 CB ARG A 41 -0.531 -0.427 -7.944 1.00 0.00 C ATOM 652 CG ARG A 41 0.686 0.350 -8.427 1.00 0.00 C ATOM 653 CD ARG A 41 1.378 -0.357 -9.583 1.00 0.00 C ATOM 654 NE ARG A 41 1.608 -1.772 -9.301 1.00 0.00 N ATOM 655 CZ ARG A 41 1.916 -2.673 -10.232 1.00 0.00 C ATOM 656 NH1 ARG A 41 2.031 -2.310 -11.503 1.00 0.00 N ATOM 657 NH2 ARG A 41 2.109 -3.939 -9.890 1.00 0.00 N ATOM 0 H ARG A 41 -0.494 1.358 -6.197 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.363 -1.378 -6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.590 -1.368 -8.491 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.431 0.139 -8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.380 1.348 -8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.389 0.476 -7.603 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.770 -0.261 -10.483 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.331 0.131 -9.788 1.00 0.00 H new ATOM 0 HE ARG A 41 1.528 -2.088 -8.335 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.883 -1.337 -11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.267 -3.004 -12.212 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.022 -4.223 -8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.345 -4.630 -10.603 1.00 0.00 H new ATOM 671 N GLU A 42 1.770 -0.668 -5.631 1.00 0.00 N ATOM 672 CA GLU A 42 3.044 -1.241 -5.219 1.00 0.00 C ATOM 673 C GLU A 42 2.924 -1.839 -3.823 1.00 0.00 C ATOM 674 O GLU A 42 3.422 -2.933 -3.560 1.00 0.00 O ATOM 675 CB GLU A 42 4.147 -0.183 -5.245 1.00 0.00 C ATOM 676 CG GLU A 42 5.528 -0.742 -4.948 1.00 0.00 C ATOM 677 CD GLU A 42 6.641 0.147 -5.464 1.00 0.00 C ATOM 678 OE1 GLU A 42 6.594 0.529 -6.652 1.00 0.00 O ATOM 679 OE2 GLU A 42 7.561 0.463 -4.679 1.00 0.00 O ATOM 0 H GLU A 42 1.722 0.349 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 42 3.308 -2.031 -5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.159 0.294 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.913 0.593 -4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.640 -0.870 -3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.620 -1.731 -5.398 1.00 0.00 H new ATOM 686 N LEU A 43 2.243 -1.121 -2.936 1.00 0.00 N ATOM 687 CA LEU A 43 2.041 -1.595 -1.576 1.00 0.00 C ATOM 688 C LEU A 43 1.065 -2.760 -1.577 1.00 0.00 C ATOM 689 O LEU A 43 1.241 -3.733 -0.851 1.00 0.00 O ATOM 690 CB LEU A 43 1.527 -0.462 -0.678 1.00 0.00 C ATOM 691 CG LEU A 43 0.090 -0.006 -0.940 1.00 0.00 C ATOM 692 CD1 LEU A 43 -0.912 -0.958 -0.300 1.00 0.00 C ATOM 693 CD2 LEU A 43 -0.111 1.409 -0.417 1.00 0.00 C ATOM 0 H LEU A 43 1.824 -0.213 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 43 2.997 -1.934 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.603 -0.784 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.188 0.397 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.082 -0.014 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.925 -0.610 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.782 -1.957 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.747 -0.990 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.137 1.725 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.082 1.431 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.577 2.085 -0.924 1.00 0.00 H new ATOM 705 N PHE A 44 0.041 -2.660 -2.417 1.00 0.00 N ATOM 706 CA PHE A 44 -0.956 -3.715 -2.529 1.00 0.00 C ATOM 707 C PHE A 44 -0.319 -4.994 -3.073 1.00 0.00 C ATOM 708 O PHE A 44 -0.868 -6.084 -2.917 1.00 0.00 O ATOM 709 CB PHE A 44 -2.104 -3.253 -3.434 1.00 0.00 C ATOM 710 CG PHE A 44 -2.951 -4.371 -3.976 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.585 -5.257 -3.121 1.00 0.00 C ATOM 712 CD2 PHE A 44 -3.111 -4.531 -5.342 1.00 0.00 C ATOM 713 CE1 PHE A 44 -4.364 -6.283 -3.620 1.00 0.00 C ATOM 714 CE2 PHE A 44 -3.889 -5.554 -5.847 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.517 -6.433 -4.985 1.00 0.00 C ATOM 0 H PHE A 44 -0.119 -1.860 -3.029 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.358 -3.931 -1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.741 -2.569 -2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.689 -2.689 -4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.469 -5.145 -2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.622 -3.848 -6.020 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.853 -6.968 -2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.007 -5.667 -6.915 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.125 -7.235 -5.377 1.00 0.00 H new ATOM 725 N LYS A 45 0.842 -4.852 -3.708 1.00 0.00 N ATOM 726 CA LYS A 45 1.549 -5.996 -4.268 1.00 0.00 C ATOM 727 C LYS A 45 2.158 -6.858 -3.167 1.00 0.00 C ATOM 728 O LYS A 45 2.388 -8.052 -3.361 1.00 0.00 O ATOM 729 CB LYS A 45 2.639 -5.527 -5.234 1.00 0.00 C ATOM 730 CG LYS A 45 2.270 -5.698 -6.698 1.00 0.00 C ATOM 731 CD LYS A 45 3.499 -5.939 -7.559 1.00 0.00 C ATOM 732 CE LYS A 45 4.236 -4.641 -7.854 1.00 0.00 C ATOM 733 NZ LYS A 45 4.765 -4.606 -9.245 1.00 0.00 N ATOM 0 H LYS A 45 1.311 -3.957 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 45 0.827 -6.603 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.854 -4.476 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.555 -6.082 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.580 -6.535 -6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.748 -4.808 -7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.170 -6.632 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.202 -6.411 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.562 -3.798 -7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.059 -4.523 -7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.650 -3.649 -9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.774 -4.859 -9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.241 -5.285 -9.833 1.00 0.00 H new ATOM 747 N LEU A 46 2.419 -6.255 -2.008 1.00 0.00 N ATOM 748 CA LEU A 46 2.997 -6.989 -0.894 1.00 0.00 C ATOM 749 C LEU A 46 2.011 -8.030 -0.376 1.00 0.00 C ATOM 750 O LEU A 46 2.381 -9.176 -0.125 1.00 0.00 O ATOM 751 CB LEU A 46 3.417 -6.032 0.230 1.00 0.00 C ATOM 752 CG LEU A 46 2.278 -5.417 1.048 1.00 0.00 C ATOM 753 CD1 LEU A 46 1.986 -6.255 2.282 1.00 0.00 C ATOM 754 CD2 LEU A 46 2.626 -3.989 1.448 1.00 0.00 C ATOM 0 H LEU A 46 2.240 -5.268 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 46 3.889 -7.505 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.077 -6.570 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.001 -5.223 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 46 1.382 -5.399 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.174 -5.799 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.697 -7.261 1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.878 -6.307 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.807 -3.564 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.535 -3.991 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.785 -3.389 0.552 1.00 0.00 H new ATOM 766 N LYS A 47 0.750 -7.629 -0.231 1.00 0.00 N ATOM 767 CA LYS A 47 -0.286 -8.535 0.251 1.00 0.00 C ATOM 768 C LYS A 47 -0.293 -9.834 -0.550 1.00 0.00 C ATOM 769 O LYS A 47 -0.630 -10.896 -0.026 1.00 0.00 O ATOM 770 CB LYS A 47 -1.658 -7.864 0.170 1.00 0.00 C ATOM 771 CG LYS A 47 -2.754 -8.631 0.893 1.00 0.00 C ATOM 772 CD LYS A 47 -4.115 -8.380 0.267 1.00 0.00 C ATOM 773 CE LYS A 47 -4.693 -7.044 0.706 1.00 0.00 C ATOM 774 NZ LYS A 47 -5.506 -7.170 1.945 1.00 0.00 N ATOM 0 H LYS A 47 0.423 -6.686 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.067 -8.774 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.588 -6.861 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.936 -7.750 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.531 -9.698 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.775 -8.336 1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.026 -8.400 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.798 -9.182 0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.882 -6.336 0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.311 -6.636 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.882 -6.237 2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.295 -7.826 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.910 -7.535 2.715 1.00 0.00 H new ATOM 788 N GLN A 48 0.086 -9.743 -1.821 1.00 0.00 N ATOM 789 CA GLN A 48 0.128 -10.914 -2.689 1.00 0.00 C ATOM 790 C GLN A 48 1.319 -11.800 -2.343 1.00 0.00 C ATOM 791 O GLN A 48 1.234 -13.026 -2.414 1.00 0.00 O ATOM 792 CB GLN A 48 0.201 -10.488 -4.157 1.00 0.00 C ATOM 793 CG GLN A 48 -1.003 -9.681 -4.617 1.00 0.00 C ATOM 794 CD GLN A 48 -2.305 -10.446 -4.477 1.00 0.00 C ATOM 795 OE1 GLN A 48 -2.676 -11.228 -5.353 1.00 0.00 O ATOM 796 NE2 GLN A 48 -3.006 -10.224 -3.372 1.00 0.00 N ATOM 0 H GLN A 48 0.368 -8.872 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.787 -11.486 -2.532 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.104 -9.897 -4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.292 -11.377 -4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.062 -8.761 -4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.866 -9.392 -5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.661 -9.567 -2.672 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.890 -10.710 -3.223 1.00 0.00 H new ATOM 805 N MET A 49 2.423 -11.171 -1.957 1.00 0.00 N ATOM 806 CA MET A 49 3.629 -11.906 -1.588 1.00 0.00 C ATOM 807 C MET A 49 3.480 -12.490 -0.190 1.00 0.00 C ATOM 808 O MET A 49 3.994 -13.570 0.105 1.00 0.00 O ATOM 809 CB MET A 49 4.864 -10.998 -1.641 1.00 0.00 C ATOM 810 CG MET A 49 4.749 -9.851 -2.634 1.00 0.00 C ATOM 811 SD MET A 49 6.329 -9.044 -2.951 1.00 0.00 S ATOM 812 CE MET A 49 5.879 -7.323 -2.737 1.00 0.00 C ATOM 0 H MET A 49 2.509 -10.157 -1.891 1.00 0.00 H new ATOM 0 HA MET A 49 3.764 -12.715 -2.305 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.043 -10.588 -0.647 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.735 -11.601 -1.898 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.343 -10.228 -3.573 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.040 -9.116 -2.253 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.566 -6.694 -3.304 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.862 -7.165 -3.096 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.935 -7.061 -1.680 1.00 0.00 H new ATOM 822 N TYR A 50 2.767 -11.767 0.668 1.00 0.00 N ATOM 823 CA TYR A 50 2.539 -12.208 2.037 1.00 0.00 C ATOM 824 C TYR A 50 1.589 -13.400 2.068 1.00 0.00 C ATOM 825 O TYR A 50 1.685 -14.260 2.944 1.00 0.00 O ATOM 826 CB TYR A 50 1.974 -11.061 2.875 1.00 0.00 C ATOM 827 CG TYR A 50 3.036 -10.126 3.411 1.00 0.00 C ATOM 828 CD1 TYR A 50 3.664 -10.384 4.622 1.00 0.00 C ATOM 829 CD2 TYR A 50 3.413 -8.990 2.704 1.00 0.00 C ATOM 830 CE1 TYR A 50 4.637 -9.536 5.114 1.00 0.00 C ATOM 831 CE2 TYR A 50 4.384 -8.140 3.189 1.00 0.00 C ATOM 832 CZ TYR A 50 4.994 -8.415 4.395 1.00 0.00 C ATOM 833 OH TYR A 50 5.964 -7.567 4.884 1.00 0.00 O ATOM 0 H TYR A 50 2.337 -10.871 0.437 1.00 0.00 H new ATOM 0 HA TYR A 50 3.494 -12.518 2.461 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.271 -10.490 2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.410 -11.475 3.711 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.387 -11.261 5.188 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.938 -8.770 1.760 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.116 -9.750 6.058 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.666 -7.262 2.627 1.00 0.00 H new ATOM 0 HH TYR A 50 6.506 -8.040 5.549 1.00 0.00 H new ATOM 843 N GLY A 51 0.677 -13.450 1.103 1.00 0.00 N ATOM 844 CA GLY A 51 -0.271 -14.546 1.036 1.00 0.00 C ATOM 845 C GLY A 51 0.390 -15.852 0.638 1.00 0.00 C ATOM 846 O GLY A 51 -0.113 -16.931 0.951 1.00 0.00 O ATOM 0 H GLY A 51 0.578 -12.751 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.754 -14.666 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.054 -14.303 0.318 1.00 0.00 H new ATOM 850 N LYS A 52 1.522 -15.752 -0.053 1.00 0.00 N ATOM 851 CA LYS A 52 2.257 -16.930 -0.497 1.00 0.00 C ATOM 852 C LYS A 52 3.699 -16.888 0.002 1.00 0.00 C ATOM 853 O LYS A 52 4.606 -17.402 -0.651 1.00 0.00 O ATOM 854 CB LYS A 52 2.237 -17.023 -2.023 1.00 0.00 C ATOM 855 CG LYS A 52 0.873 -17.377 -2.593 1.00 0.00 C ATOM 856 CD LYS A 52 0.653 -18.881 -2.620 1.00 0.00 C ATOM 857 CE LYS A 52 -0.726 -19.232 -3.153 1.00 0.00 C ATOM 858 NZ LYS A 52 -0.860 -18.917 -4.601 1.00 0.00 N ATOM 0 H LYS A 52 1.950 -14.865 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 52 1.771 -17.812 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.560 -16.070 -2.441 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.961 -17.773 -2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.094 -16.905 -1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.785 -16.977 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.415 -19.350 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.769 -19.285 -1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.917 -20.293 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.482 -18.684 -2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.762 -19.294 -4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.838 -17.886 -4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.073 -19.351 -5.125 1.00 0.00 H new ATOM 872 N ALA A 53 3.900 -16.271 1.163 1.00 0.00 N ATOM 873 CA ALA A 53 5.231 -16.160 1.748 1.00 0.00 C ATOM 874 C ALA A 53 5.499 -17.297 2.729 1.00 0.00 C ATOM 875 O ALA A 53 6.619 -17.796 2.824 1.00 0.00 O ATOM 876 CB ALA A 53 5.391 -14.813 2.437 1.00 0.00 C ATOM 0 H ALA A 53 3.159 -15.841 1.716 1.00 0.00 H new ATOM 0 HA ALA A 53 5.963 -16.234 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.389 -14.742 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.254 -14.013 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.645 -14.717 3.226 1.00 0.00 H new ATOM 882 N ASP A 54 4.462 -17.699 3.459 1.00 0.00 N ATOM 883 CA ASP A 54 4.585 -18.777 4.435 1.00 0.00 C ATOM 884 C ASP A 54 5.495 -18.367 5.590 1.00 0.00 C ATOM 885 O ASP A 54 6.390 -19.115 5.985 1.00 0.00 O ATOM 886 CB ASP A 54 5.124 -20.044 3.766 1.00 0.00 C ATOM 887 CG ASP A 54 4.707 -21.306 4.497 1.00 0.00 C ATOM 888 OD1 ASP A 54 5.231 -21.550 5.606 1.00 0.00 O ATOM 889 OD2 ASP A 54 3.859 -22.049 3.962 1.00 0.00 O ATOM 0 H ASP A 54 3.528 -17.295 3.393 1.00 0.00 H new ATOM 0 HA ASP A 54 3.593 -18.983 4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.767 -20.088 2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.212 -19.995 3.724 1.00 0.00 H new ATOM 894 N MET A 55 5.259 -17.174 6.127 1.00 0.00 N ATOM 895 CA MET A 55 6.055 -16.663 7.238 1.00 0.00 C ATOM 896 C MET A 55 7.519 -16.509 6.839 1.00 0.00 C ATOM 897 O MET A 55 8.302 -17.454 6.935 1.00 0.00 O ATOM 898 CB MET A 55 5.940 -17.595 8.446 1.00 0.00 C ATOM 899 CG MET A 55 4.510 -17.813 8.912 1.00 0.00 C ATOM 900 SD MET A 55 3.718 -19.212 8.094 1.00 0.00 S ATOM 901 CE MET A 55 4.535 -20.585 8.905 1.00 0.00 C ATOM 0 H MET A 55 4.523 -16.543 5.811 1.00 0.00 H new ATOM 0 HA MET A 55 5.667 -15.680 7.505 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.382 -18.559 8.194 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.523 -17.182 9.270 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.504 -17.976 9.990 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.929 -16.910 8.723 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.952 -21.494 8.756 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.530 -20.718 8.481 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.620 -20.379 9.972 1.00 0.00 H new ATOM 911 N ASN A 56 7.883 -15.310 6.392 1.00 0.00 N ATOM 912 CA ASN A 56 9.255 -15.030 5.979 1.00 0.00 C ATOM 913 C ASN A 56 9.409 -13.590 5.495 1.00 0.00 C ATOM 914 O ASN A 56 10.466 -12.982 5.658 1.00 0.00 O ATOM 915 CB ASN A 56 9.688 -15.997 4.874 1.00 0.00 C ATOM 916 CG ASN A 56 8.727 -16.001 3.701 1.00 0.00 C ATOM 917 OD1 ASN A 56 7.537 -15.729 3.858 1.00 0.00 O ATOM 918 ND2 ASN A 56 9.241 -16.311 2.516 1.00 0.00 N ATOM 0 H ASN A 56 7.247 -14.517 6.307 1.00 0.00 H new ATOM 0 HA ASN A 56 9.896 -15.168 6.850 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.683 -15.723 4.524 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.761 -17.004 5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.643 -16.330 1.690 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.234 -16.530 2.432 1.00 0.00 H new ATOM 925 N THR A 57 8.352 -13.048 4.892 1.00 0.00 N ATOM 926 CA THR A 57 8.384 -11.682 4.378 1.00 0.00 C ATOM 927 C THR A 57 7.839 -10.682 5.398 1.00 0.00 C ATOM 928 O THR A 57 7.380 -9.600 5.031 1.00 0.00 O ATOM 929 CB THR A 57 7.581 -11.587 3.081 1.00 0.00 C ATOM 930 OG1 THR A 57 6.249 -12.025 3.283 1.00 0.00 O ATOM 931 CG2 THR A 57 8.167 -12.409 1.953 1.00 0.00 C ATOM 0 H THR A 57 7.466 -13.533 4.748 1.00 0.00 H new ATOM 0 HA THR A 57 9.426 -11.429 4.181 1.00 0.00 H new ATOM 0 HB THR A 57 7.613 -10.535 2.798 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.745 -11.331 3.757 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.549 -12.297 1.062 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.178 -12.064 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.196 -13.459 2.245 1.00 0.00 H new ATOM 939 N PHE A 58 7.892 -11.043 6.676 1.00 0.00 N ATOM 940 CA PHE A 58 7.401 -10.166 7.738 1.00 0.00 C ATOM 941 C PHE A 58 8.507 -9.251 8.264 1.00 0.00 C ATOM 942 O PHE A 58 8.399 -8.028 8.170 1.00 0.00 O ATOM 943 CB PHE A 58 6.802 -10.986 8.885 1.00 0.00 C ATOM 944 CG PHE A 58 5.587 -11.770 8.487 1.00 0.00 C ATOM 945 CD1 PHE A 58 5.676 -12.757 7.523 1.00 0.00 C ATOM 946 CD2 PHE A 58 4.359 -11.522 9.077 1.00 0.00 C ATOM 947 CE1 PHE A 58 4.565 -13.485 7.153 1.00 0.00 C ATOM 948 CE2 PHE A 58 3.242 -12.247 8.711 1.00 0.00 C ATOM 949 CZ PHE A 58 3.344 -13.231 7.747 1.00 0.00 C ATOM 0 H PHE A 58 8.268 -11.933 7.003 1.00 0.00 H new ATOM 0 HA PHE A 58 6.620 -9.539 7.309 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.559 -11.672 9.265 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.540 -10.315 9.703 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.627 -12.960 7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.274 -10.754 9.831 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.649 -14.254 6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.289 -12.045 9.178 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.472 -13.800 7.459 1.00 0.00 H new ATOM 959 N PRO A 59 9.589 -9.825 8.833 1.00 0.00 N ATOM 960 CA PRO A 59 10.714 -9.061 9.378 1.00 0.00 C ATOM 961 C PRO A 59 11.050 -7.821 8.553 1.00 0.00 C ATOM 962 O PRO A 59 11.340 -6.760 9.106 1.00 0.00 O ATOM 963 CB PRO A 59 11.880 -10.065 9.346 1.00 0.00 C ATOM 964 CG PRO A 59 11.307 -11.362 8.854 1.00 0.00 C ATOM 965 CD PRO A 59 9.817 -11.258 9.004 1.00 0.00 C ATOM 0 HA PRO A 59 10.490 -8.675 10.373 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.675 -9.716 8.687 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.317 -10.184 10.337 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.580 -11.536 7.813 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.697 -12.201 9.430 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.290 -11.847 8.253 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.480 -11.610 9.979 1.00 0.00 H new ATOM 973 N ASN A 60 11.006 -7.954 7.230 1.00 0.00 N ATOM 974 CA ASN A 60 11.305 -6.833 6.344 1.00 0.00 C ATOM 975 C ASN A 60 10.390 -5.650 6.647 1.00 0.00 C ATOM 976 O ASN A 60 10.841 -4.507 6.718 1.00 0.00 O ATOM 977 CB ASN A 60 11.162 -7.246 4.876 1.00 0.00 C ATOM 978 CG ASN A 60 9.943 -8.112 4.628 1.00 0.00 C ATOM 979 OD1 ASN A 60 10.044 -9.335 4.542 1.00 0.00 O ATOM 980 ND2 ASN A 60 8.781 -7.480 4.506 1.00 0.00 N ATOM 0 H ASN A 60 10.768 -8.822 6.750 1.00 0.00 H new ATOM 0 HA ASN A 60 12.338 -6.531 6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.100 -6.352 4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.056 -7.787 4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.927 -8.011 4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.743 -6.464 4.584 1.00 0.00 H new ATOM 987 N PHE A 61 9.105 -5.935 6.834 1.00 0.00 N ATOM 988 CA PHE A 61 8.129 -4.896 7.139 1.00 0.00 C ATOM 989 C PHE A 61 7.521 -5.119 8.521 1.00 0.00 C ATOM 990 O PHE A 61 7.844 -4.405 9.468 1.00 0.00 O ATOM 991 CB PHE A 61 7.029 -4.866 6.075 1.00 0.00 C ATOM 992 CG PHE A 61 6.039 -3.744 6.245 1.00 0.00 C ATOM 993 CD1 PHE A 61 6.299 -2.683 7.101 1.00 0.00 C ATOM 994 CD2 PHE A 61 4.848 -3.749 5.538 1.00 0.00 C ATOM 995 CE1 PHE A 61 5.390 -1.653 7.247 1.00 0.00 C ATOM 996 CE2 PHE A 61 3.934 -2.723 5.681 1.00 0.00 C ATOM 997 CZ PHE A 61 4.206 -1.673 6.537 1.00 0.00 C ATOM 0 H PHE A 61 8.716 -6.876 6.780 1.00 0.00 H new ATOM 0 HA PHE A 61 8.642 -3.934 7.138 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.492 -4.782 5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.493 -5.815 6.095 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.223 -2.662 7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.631 -4.566 4.866 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.605 -0.833 7.916 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.008 -2.742 5.125 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.494 -0.869 6.651 1.00 0.00 H new ATOM 1007 N THR A 62 6.644 -6.121 8.623 1.00 0.00 N ATOM 1008 CA THR A 62 5.980 -6.468 9.885 1.00 0.00 C ATOM 1009 C THR A 62 4.742 -5.603 10.137 1.00 0.00 C ATOM 1010 O THR A 62 3.761 -6.078 10.710 1.00 0.00 O ATOM 1011 CB THR A 62 6.966 -6.390 11.066 1.00 0.00 C ATOM 1012 OG1 THR A 62 6.745 -7.461 11.967 1.00 0.00 O ATOM 1013 CG2 THR A 62 6.888 -5.104 11.867 1.00 0.00 C ATOM 0 H THR A 62 6.374 -6.713 7.838 1.00 0.00 H new ATOM 0 HA THR A 62 5.636 -7.499 9.799 1.00 0.00 H new ATOM 0 HB THR A 62 7.952 -6.438 10.604 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.833 -7.137 12.888 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.616 -5.135 12.678 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.105 -4.257 11.217 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.886 -4.995 12.283 1.00 0.00 H new ATOM 1021 N PHE A 63 4.785 -4.341 9.711 1.00 0.00 N ATOM 1022 CA PHE A 63 3.659 -3.423 9.898 1.00 0.00 C ATOM 1023 C PHE A 63 3.052 -3.570 11.291 1.00 0.00 C ATOM 1024 O PHE A 63 1.833 -3.557 11.455 1.00 0.00 O ATOM 1025 CB PHE A 63 2.584 -3.664 8.833 1.00 0.00 C ATOM 1026 CG PHE A 63 2.243 -5.112 8.627 1.00 0.00 C ATOM 1027 CD1 PHE A 63 1.343 -5.752 9.463 1.00 0.00 C ATOM 1028 CD2 PHE A 63 2.823 -5.832 7.595 1.00 0.00 C ATOM 1029 CE1 PHE A 63 1.026 -7.085 9.274 1.00 0.00 C ATOM 1030 CE2 PHE A 63 2.510 -7.164 7.401 1.00 0.00 C ATOM 1031 CZ PHE A 63 1.611 -7.791 8.241 1.00 0.00 C ATOM 0 H PHE A 63 5.587 -3.930 9.234 1.00 0.00 H new ATOM 0 HA PHE A 63 4.040 -2.407 9.794 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.680 -3.125 9.116 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.924 -3.243 7.887 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.883 -5.204 10.272 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.527 -5.347 6.935 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.323 -7.573 9.933 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.968 -7.714 6.593 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.366 -8.832 8.090 1.00 0.00 H new ATOM 1041 N GLU A 64 3.917 -3.713 12.291 1.00 0.00 N ATOM 1042 CA GLU A 64 3.476 -3.868 13.672 1.00 0.00 C ATOM 1043 C GLU A 64 2.807 -5.224 13.880 1.00 0.00 C ATOM 1044 O GLU A 64 1.805 -5.328 14.588 1.00 0.00 O ATOM 1045 CB GLU A 64 2.512 -2.743 14.058 1.00 0.00 C ATOM 1046 CG GLU A 64 2.641 -2.302 15.507 1.00 0.00 C ATOM 1047 CD GLU A 64 2.148 -3.353 16.482 1.00 0.00 C ATOM 1048 OE1 GLU A 64 0.917 -3.459 16.668 1.00 0.00 O ATOM 1049 OE2 GLU A 64 2.992 -4.070 17.060 1.00 0.00 O ATOM 0 H GLU A 64 4.930 -3.725 12.169 1.00 0.00 H new ATOM 0 HA GLU A 64 4.355 -3.814 14.314 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.689 -1.885 13.409 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.489 -3.074 13.877 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.685 -2.073 15.722 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.076 -1.381 15.654 1.00 0.00 H new ATOM 1056 N ASP A 65 3.366 -6.263 13.261 1.00 0.00 N ATOM 1057 CA ASP A 65 2.819 -7.613 13.385 1.00 0.00 C ATOM 1058 C ASP A 65 2.594 -7.982 14.852 1.00 0.00 C ATOM 1059 O ASP A 65 2.926 -7.210 15.752 1.00 0.00 O ATOM 1060 CB ASP A 65 3.758 -8.627 12.728 1.00 0.00 C ATOM 1061 CG ASP A 65 3.254 -9.090 11.376 1.00 0.00 C ATOM 1062 OD1 ASP A 65 2.404 -10.005 11.341 1.00 0.00 O ATOM 1063 OD2 ASP A 65 3.708 -8.539 10.351 1.00 0.00 O ATOM 0 H ASP A 65 4.195 -6.196 12.670 1.00 0.00 H new ATOM 0 HA ASP A 65 1.856 -7.635 12.875 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.746 -8.181 12.611 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.874 -9.489 13.384 1.00 0.00 H new ATOM 1068 N PRO A 66 2.015 -9.167 15.113 1.00 0.00 N ATOM 1069 CA PRO A 66 1.731 -9.638 16.475 1.00 0.00 C ATOM 1070 C PRO A 66 2.976 -10.124 17.222 1.00 0.00 C ATOM 1071 O PRO A 66 2.883 -10.993 18.089 1.00 0.00 O ATOM 1072 CB PRO A 66 0.753 -10.807 16.264 1.00 0.00 C ATOM 1073 CG PRO A 66 0.424 -10.812 14.804 1.00 0.00 C ATOM 1074 CD PRO A 66 1.571 -10.139 14.111 1.00 0.00 C ATOM 0 HA PRO A 66 1.335 -8.830 17.091 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.204 -11.752 16.565 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.146 -10.677 16.866 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.293 -11.831 14.439 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.510 -10.282 14.614 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.360 -10.845 13.852 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.259 -9.655 13.185 1.00 0.00 H new ATOM 1082 N LYS A 67 4.139 -9.564 16.892 1.00 0.00 N ATOM 1083 CA LYS A 67 5.389 -9.946 17.545 1.00 0.00 C ATOM 1084 C LYS A 67 5.554 -11.463 17.581 1.00 0.00 C ATOM 1085 O LYS A 67 6.208 -12.006 18.472 1.00 0.00 O ATOM 1086 CB LYS A 67 5.436 -9.385 18.968 1.00 0.00 C ATOM 1087 CG LYS A 67 5.131 -7.898 19.046 1.00 0.00 C ATOM 1088 CD LYS A 67 6.401 -7.075 19.192 1.00 0.00 C ATOM 1089 CE LYS A 67 6.825 -6.464 17.867 1.00 0.00 C ATOM 1090 NZ LYS A 67 7.378 -5.092 18.038 1.00 0.00 N ATOM 0 H LYS A 67 4.241 -8.844 16.176 1.00 0.00 H new ATOM 0 HA LYS A 67 6.211 -9.527 16.964 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.721 -9.927 19.587 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.425 -9.567 19.389 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.596 -7.588 18.148 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.472 -7.705 19.892 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.240 -6.283 19.924 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.203 -7.706 19.576 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.574 -7.101 17.397 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.969 -6.429 17.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.655 -4.711 17.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.655 -4.477 18.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.211 -5.128 18.660 1.00 0.00 H new ATOM 1104 N PHE A 68 4.957 -12.143 16.607 1.00 0.00 N ATOM 1105 CA PHE A 68 5.040 -13.597 16.528 1.00 0.00 C ATOM 1106 C PHE A 68 6.492 -14.057 16.435 1.00 0.00 C ATOM 1107 O PHE A 68 6.905 -14.987 17.126 1.00 0.00 O ATOM 1108 CB PHE A 68 4.249 -14.108 15.320 1.00 0.00 C ATOM 1109 CG PHE A 68 4.857 -13.728 13.999 1.00 0.00 C ATOM 1110 CD1 PHE A 68 4.666 -12.459 13.473 1.00 0.00 C ATOM 1111 CD2 PHE A 68 5.620 -14.638 13.286 1.00 0.00 C ATOM 1112 CE1 PHE A 68 5.225 -12.108 12.259 1.00 0.00 C ATOM 1113 CE2 PHE A 68 6.181 -14.291 12.072 1.00 0.00 C ATOM 1114 CZ PHE A 68 5.983 -13.025 11.557 1.00 0.00 C ATOM 0 H PHE A 68 4.411 -11.711 15.862 1.00 0.00 H new ATOM 0 HA PHE A 68 4.607 -14.011 17.439 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.175 -15.194 15.378 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.233 -13.716 15.369 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.074 -11.738 14.018 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.778 -15.630 13.683 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.069 -11.117 11.859 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.774 -15.010 11.526 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.420 -12.752 10.608 1.00 0.00 H new ATOM 1124 N GLU A 69 7.261 -13.395 15.577 1.00 0.00 N ATOM 1125 CA GLU A 69 8.667 -13.733 15.390 1.00 0.00 C ATOM 1126 C GLU A 69 9.333 -12.762 14.419 1.00 0.00 C ATOM 1127 O GLU A 69 9.807 -13.160 13.354 1.00 0.00 O ATOM 1128 CB GLU A 69 8.804 -15.168 14.876 1.00 0.00 C ATOM 1129 CG GLU A 69 10.239 -15.668 14.846 1.00 0.00 C ATOM 1130 CD GLU A 69 10.361 -17.048 14.231 1.00 0.00 C ATOM 1131 OE1 GLU A 69 9.610 -17.954 14.649 1.00 0.00 O ATOM 1132 OE2 GLU A 69 11.210 -17.224 13.330 1.00 0.00 O ATOM 0 H GLU A 69 6.934 -12.620 15.000 1.00 0.00 H new ATOM 0 HA GLU A 69 9.168 -13.653 16.355 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.210 -15.830 15.507 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.386 -15.227 13.871 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.853 -14.967 14.281 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.634 -15.690 15.862 1.00 0.00 H new ATOM 1139 N VAL A 70 9.364 -11.487 14.794 1.00 0.00 N ATOM 1140 CA VAL A 70 9.971 -10.459 13.956 1.00 0.00 C ATOM 1141 C VAL A 70 11.368 -10.099 14.452 1.00 0.00 C ATOM 1142 O VAL A 70 12.290 -9.918 13.658 1.00 0.00 O ATOM 1143 CB VAL A 70 9.101 -9.185 13.914 1.00 0.00 C ATOM 1144 CG1 VAL A 70 8.976 -8.572 15.300 1.00 0.00 C ATOM 1145 CG2 VAL A 70 9.672 -8.179 12.926 1.00 0.00 C ATOM 0 H VAL A 70 8.976 -11.141 15.672 1.00 0.00 H new ATOM 0 HA VAL A 70 10.045 -10.871 12.949 1.00 0.00 H new ATOM 0 HB VAL A 70 8.102 -9.463 13.577 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.359 -7.675 15.247 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.513 -9.291 15.976 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.966 -8.309 15.672 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.045 -7.288 12.911 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.683 -7.906 13.228 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.698 -8.621 11.930 1.00 0.00 H new ATOM 1155 N VAL A 71 11.515 -9.994 15.769 1.00 0.00 N ATOM 1156 CA VAL A 71 12.799 -9.654 16.367 1.00 0.00 C ATOM 1157 C VAL A 71 12.779 -9.881 17.878 1.00 0.00 C ATOM 1158 O VAL A 71 12.879 -8.935 18.661 1.00 0.00 O ATOM 1159 CB VAL A 71 13.183 -8.189 16.076 1.00 0.00 C ATOM 1160 CG1 VAL A 71 12.139 -7.237 16.642 1.00 0.00 C ATOM 1161 CG2 VAL A 71 14.564 -7.874 16.633 1.00 0.00 C ATOM 0 H VAL A 71 10.761 -10.139 16.441 1.00 0.00 H new ATOM 0 HA VAL A 71 13.544 -10.310 15.917 1.00 0.00 H new ATOM 0 HB VAL A 71 13.215 -8.052 14.995 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.429 -6.209 16.426 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.171 -7.445 16.185 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.068 -7.375 17.721 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.815 -6.836 16.417 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.566 -8.031 17.712 1.00 0.00 H new ATOM 0 HG23 VAL A 71 15.301 -8.530 16.170 1.00 0.00 H new ATOM 1171 N GLU A 72 12.650 -11.141 18.279 1.00 0.00 N ATOM 1172 CA GLU A 72 12.617 -11.492 19.695 1.00 0.00 C ATOM 1173 C GLU A 72 13.907 -11.067 20.389 1.00 0.00 C ATOM 1174 O GLU A 72 13.904 -10.732 21.574 1.00 0.00 O ATOM 1175 CB GLU A 72 12.406 -12.997 19.863 1.00 0.00 C ATOM 1176 CG GLU A 72 10.944 -13.414 19.829 1.00 0.00 C ATOM 1177 CD GLU A 72 10.249 -12.997 18.548 1.00 0.00 C ATOM 1178 OE1 GLU A 72 10.927 -12.917 17.504 1.00 0.00 O ATOM 1179 OE2 GLU A 72 9.024 -12.749 18.590 1.00 0.00 O ATOM 0 H GLU A 72 12.567 -11.936 17.645 1.00 0.00 H new ATOM 0 HA GLU A 72 11.784 -10.962 20.157 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.943 -13.521 19.073 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.844 -13.313 20.810 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.876 -14.496 19.939 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.424 -12.974 20.680 1.00 0.00 H new ATOM 1186 N LYS A 73 15.008 -11.084 19.644 1.00 0.00 N ATOM 1187 CA LYS A 73 16.306 -10.700 20.187 1.00 0.00 C ATOM 1188 C LYS A 73 16.865 -9.486 19.452 1.00 0.00 C ATOM 1189 O LYS A 73 17.615 -9.627 18.485 1.00 0.00 O ATOM 1190 CB LYS A 73 17.288 -11.869 20.089 1.00 0.00 C ATOM 1191 CG LYS A 73 18.511 -11.711 20.977 1.00 0.00 C ATOM 1192 CD LYS A 73 18.317 -12.398 22.319 1.00 0.00 C ATOM 1193 CE LYS A 73 17.320 -11.650 23.190 1.00 0.00 C ATOM 1194 NZ LYS A 73 15.947 -12.213 23.072 1.00 0.00 N ATOM 0 H LYS A 73 15.027 -11.360 18.662 1.00 0.00 H new ATOM 0 HA LYS A 73 16.171 -10.436 21.236 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.771 -12.790 20.357 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.612 -11.975 19.054 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.383 -12.130 20.475 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.713 -10.652 21.135 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.968 -13.418 22.159 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.274 -12.466 22.836 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.642 -11.694 24.230 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.307 -10.598 22.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.314 -11.500 22.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.968 -13.055 22.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.598 -12.478 24.015 1.00 0.00 H new ATOM 1208 N PRO A 74 16.507 -8.270 19.900 1.00 0.00 N ATOM 1209 CA PRO A 74 16.978 -7.028 19.280 1.00 0.00 C ATOM 1210 C PRO A 74 18.495 -6.992 19.132 1.00 0.00 C ATOM 1211 O PRO A 74 19.027 -6.329 18.242 1.00 0.00 O ATOM 1212 CB PRO A 74 16.510 -5.944 20.252 1.00 0.00 C ATOM 1213 CG PRO A 74 15.333 -6.539 20.946 1.00 0.00 C ATOM 1214 CD PRO A 74 15.615 -8.012 21.048 1.00 0.00 C ATOM 0 HA PRO A 74 16.591 -6.907 18.268 1.00 0.00 H new ATOM 0 HB2 PRO A 74 17.296 -5.681 20.960 1.00 0.00 H new ATOM 0 HB3 PRO A 74 16.238 -5.030 19.724 1.00 0.00 H new ATOM 0 HG2 PRO A 74 15.198 -6.098 21.934 1.00 0.00 H new ATOM 0 HG3 PRO A 74 14.416 -6.355 20.387 1.00 0.00 H new ATOM 0 HD2 PRO A 74 16.094 -8.265 21.994 1.00 0.00 H new ATOM 0 HD3 PRO A 74 14.700 -8.601 20.986 1.00 0.00 H new ATOM 1222 N GLN A 75 19.187 -7.710 20.011 1.00 0.00 N ATOM 1223 CA GLN A 75 20.644 -7.760 19.978 1.00 0.00 C ATOM 1224 C GLN A 75 21.241 -6.369 20.166 1.00 0.00 C ATOM 1225 O GLN A 75 21.344 -5.593 19.215 1.00 0.00 O ATOM 1226 CB GLN A 75 21.125 -8.359 18.655 1.00 0.00 C ATOM 1227 CG GLN A 75 20.628 -9.775 18.413 1.00 0.00 C ATOM 1228 CD GLN A 75 20.208 -10.007 16.974 1.00 0.00 C ATOM 1229 OE1 GLN A 75 19.173 -10.616 16.708 1.00 0.00 O ATOM 1230 NE2 GLN A 75 21.014 -9.520 16.037 1.00 0.00 N ATOM 0 H GLN A 75 18.762 -8.265 20.754 1.00 0.00 H new ATOM 0 HA GLN A 75 20.979 -8.394 20.799 1.00 0.00 H new ATOM 0 HB2 GLN A 75 20.794 -7.721 17.835 1.00 0.00 H new ATOM 0 HB3 GLN A 75 22.215 -8.358 18.640 1.00 0.00 H new ATOM 0 HG2 GLN A 75 21.414 -10.482 18.677 1.00 0.00 H new ATOM 0 HG3 GLN A 75 19.783 -9.977 19.071 1.00 0.00 H new ATOM 0 HE21 GLN A 75 21.863 -9.021 16.303 1.00 0.00 H new ATOM 0 HE22 GLN A 75 20.784 -9.645 15.051 1.00 0.00 H new ATOM 1239 N SER A 76 21.632 -6.060 21.398 1.00 0.00 N ATOM 1240 CA SER A 76 22.219 -4.762 21.710 1.00 0.00 C ATOM 1241 C SER A 76 22.791 -4.750 23.124 1.00 0.00 C ATOM 1242 O SER A 76 22.001 -4.602 24.080 1.00 0.00 O ATOM 1243 CB SER A 76 21.172 -3.657 21.562 1.00 0.00 C ATOM 1244 OG SER A 76 21.189 -3.109 20.255 1.00 0.00 O ATOM 1245 OXT SER A 76 24.025 -4.889 23.263 1.00 0.00 O ATOM 0 H SER A 76 21.553 -6.690 22.196 1.00 0.00 H new ATOM 0 HA SER A 76 23.032 -4.580 21.007 1.00 0.00 H new ATOM 0 HB2 SER A 76 20.182 -4.059 21.778 1.00 0.00 H new ATOM 0 HB3 SER A 76 21.363 -2.870 22.292 1.00 0.00 H new ATOM 0 HG SER A 76 21.264 -3.832 19.598 1.00 0.00 H new TER 1251 SER A 76