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 -114:sc= -0.811! USER MOD Set 2.1: A 56 SER OG : rot 175:sc= -0.186 USER MOD Set 2.2: A 85 MET CE :methyl -159:sc= -0.626 (180deg=-0.641) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 147:sc= 0.305 (180deg=-0.891) USER MOD Set 3.2: A 32 ASN :FLIP amide:sc= 0.32 F(o=-1.6,f=0.63) USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.225) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.014) USER MOD Single : A 26 LYS NZ :NH3+ 158:sc= -0.19 (180deg=-0.893) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.0183 F(o=-0.56,f=-0.018) USER MOD Single : A 44 ASN : amide:sc= 0.163 X(o=0.16,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.35 X(o=-1.3,f=-1) USER MOD Single : A 51 TYR OH : rot -64:sc= -3.44! USER MOD Single : A 59 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.4) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -4.75! C(o=-4.7!,f=-7.2!) USER MOD Single : A 63 MET CE :methyl 151:sc= -0.135 (180deg=-0.826) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 100:sc= 0.868 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 70:sc= 1.14 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0549 USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.153) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -4.02! C(o=-4!,f=-7.6!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 104 SER OG : rot -173:sc= -7.34! USER MOD Single : A 106 TYR OH : rot 180:sc= -0.646 USER MOD Single : A 109 LYS NZ :NH3+ 140:sc= 0.0159 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -154:sc=-0.00979 (180deg=-0.481) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 122 LYS NZ :NH3+ -158:sc= -0.0953 (180deg=-0.806) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.944 0.281 8.691 1.00 0.00 N ATOM 2 CA ALA A 2 -13.073 1.311 9.321 1.00 0.00 C ATOM 3 C ALA A 2 -13.461 2.689 8.777 1.00 0.00 C ATOM 4 O ALA A 2 -14.483 2.843 8.138 1.00 0.00 O ATOM 5 CB ALA A 2 -11.609 1.012 8.988 1.00 0.00 C ATOM 0 HA ALA A 2 -13.201 1.297 10.403 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.970 1.765 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.343 0.027 9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.471 1.031 7.907 1.00 0.00 H new ATOM 11 N ASP A 3 -12.661 3.692 9.023 1.00 0.00 N ATOM 12 CA ASP A 3 -12.995 5.055 8.514 1.00 0.00 C ATOM 13 C ASP A 3 -13.426 4.958 7.048 1.00 0.00 C ATOM 14 O ASP A 3 -12.918 4.151 6.300 1.00 0.00 O ATOM 15 CB ASP A 3 -11.765 5.958 8.625 1.00 0.00 C ATOM 16 CG ASP A 3 -12.156 7.273 9.301 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.914 8.021 8.705 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.691 7.511 10.403 1.00 0.00 O ATOM 0 H ASP A 3 -11.792 3.627 9.553 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.808 5.476 9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.985 5.459 9.200 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.354 6.154 7.635 1.00 0.00 H new ATOM 23 N LYS A 4 -14.362 5.766 6.632 1.00 0.00 N ATOM 24 CA LYS A 4 -14.813 5.701 5.214 1.00 0.00 C ATOM 25 C LYS A 4 -13.975 6.649 4.361 1.00 0.00 C ATOM 26 O LYS A 4 -14.299 6.920 3.221 1.00 0.00 O ATOM 27 CB LYS A 4 -16.282 6.108 5.110 1.00 0.00 C ATOM 28 CG LYS A 4 -17.122 5.255 6.063 1.00 0.00 C ATOM 29 CD LYS A 4 -16.983 3.778 5.686 1.00 0.00 C ATOM 30 CE LYS A 4 -18.277 3.042 6.024 1.00 0.00 C ATOM 31 NZ LYS A 4 -18.578 3.214 7.473 1.00 0.00 N ATOM 0 H LYS A 4 -14.831 6.464 7.209 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.693 4.678 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.395 7.164 5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.633 5.980 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.795 5.411 7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.168 5.557 6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.765 3.682 4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.147 3.331 6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.098 3.431 5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.180 1.983 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.261 2.490 7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.702 3.114 8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.982 4.159 7.634 1.00 0.00 H new ATOM 45 N GLU A 5 -12.908 7.162 4.900 1.00 0.00 N ATOM 46 CA GLU A 5 -12.058 8.097 4.115 1.00 0.00 C ATOM 47 C GLU A 5 -10.596 7.913 4.512 1.00 0.00 C ATOM 48 O GLU A 5 -9.890 8.870 4.763 1.00 0.00 O ATOM 49 CB GLU A 5 -12.487 9.538 4.401 1.00 0.00 C ATOM 50 CG GLU A 5 -13.763 9.861 3.620 1.00 0.00 C ATOM 51 CD GLU A 5 -14.143 11.325 3.848 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.328 12.182 3.546 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.241 11.564 4.322 1.00 0.00 O ATOM 0 H GLU A 5 -12.587 6.975 5.850 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.174 7.887 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.659 9.671 5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.692 10.227 4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.608 9.676 2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.575 9.209 3.943 1.00 0.00 H new ATOM 60 N LEU A 6 -10.124 6.697 4.562 1.00 0.00 N ATOM 61 CA LEU A 6 -8.710 6.479 4.931 1.00 0.00 C ATOM 62 C LEU A 6 -7.847 6.914 3.743 1.00 0.00 C ATOM 63 O LEU A 6 -8.072 6.502 2.628 1.00 0.00 O ATOM 64 CB LEU A 6 -8.518 4.999 5.260 1.00 0.00 C ATOM 65 CG LEU A 6 -7.074 4.710 5.669 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.714 5.505 6.923 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.945 3.224 5.974 1.00 0.00 C ATOM 0 H LEU A 6 -10.660 5.852 4.363 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.420 7.059 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.192 4.712 6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.782 4.393 4.393 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.403 4.997 4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.683 5.292 7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.822 6.571 6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.380 5.221 7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.919 3.001 6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.621 2.959 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.202 2.647 5.086 1.00 0.00 H new ATOM 79 N LYS A 7 -6.900 7.785 3.961 1.00 0.00 N ATOM 80 CA LYS A 7 -6.069 8.286 2.826 1.00 0.00 C ATOM 81 C LYS A 7 -5.140 7.194 2.284 1.00 0.00 C ATOM 82 O LYS A 7 -4.261 6.704 2.976 1.00 0.00 O ATOM 83 CB LYS A 7 -5.231 9.473 3.303 1.00 0.00 C ATOM 84 CG LYS A 7 -6.039 10.766 3.153 1.00 0.00 C ATOM 85 CD LYS A 7 -5.206 11.949 3.652 1.00 0.00 C ATOM 86 CE LYS A 7 -5.423 13.150 2.730 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.883 13.352 2.512 1.00 0.00 N ATOM 0 H LYS A 7 -6.665 8.172 4.875 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.738 8.590 2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.942 9.332 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.311 9.538 2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.315 10.916 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.967 10.696 3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.492 12.204 4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.150 11.680 3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.983 14.045 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.922 12.985 1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.081 14.367 2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.179 12.847 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.410 12.983 3.329 1.00 0.00 H new ATOM 101 N PHE A 8 -5.316 6.834 1.031 1.00 0.00 N ATOM 102 CA PHE A 8 -4.445 5.805 0.410 1.00 0.00 C ATOM 103 C PHE A 8 -3.469 6.484 -0.545 1.00 0.00 C ATOM 104 O PHE A 8 -3.780 7.491 -1.147 1.00 0.00 O ATOM 105 CB PHE A 8 -5.287 4.819 -0.413 1.00 0.00 C ATOM 106 CG PHE A 8 -6.139 3.966 0.489 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.360 4.451 0.949 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.702 2.696 0.868 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.151 3.666 1.792 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.489 1.906 1.717 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.715 2.394 2.180 1.00 0.00 C ATOM 0 H PHE A 8 -6.033 7.217 0.416 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.917 5.276 1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.921 5.368 -1.109 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.632 4.184 -1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.696 5.434 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.756 2.321 0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.100 4.041 2.145 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.150 0.924 2.013 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.324 1.790 2.836 1.00 0.00 H new ATOM 121 N LEU A 9 -2.308 5.917 -0.709 1.00 0.00 N ATOM 122 CA LEU A 9 -1.314 6.491 -1.658 1.00 0.00 C ATOM 123 C LEU A 9 -0.912 5.386 -2.627 1.00 0.00 C ATOM 124 O LEU A 9 -0.178 4.481 -2.280 1.00 0.00 O ATOM 125 CB LEU A 9 -0.080 6.994 -0.902 1.00 0.00 C ATOM 126 CG LEU A 9 1.035 7.348 -1.893 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.497 8.300 -2.959 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.178 8.030 -1.146 1.00 0.00 C ATOM 0 H LEU A 9 -2.002 5.074 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.748 7.336 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.340 7.869 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.268 6.229 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 9 1.394 6.436 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.293 8.548 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.322 7.821 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.135 9.212 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.972 8.283 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.811 8.940 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.569 7.355 -0.384 1.00 0.00 H new ATOM 140 N VAL A 10 -1.396 5.438 -3.832 1.00 0.00 N ATOM 141 CA VAL A 10 -1.048 4.371 -4.806 1.00 0.00 C ATOM 142 C VAL A 10 0.220 4.765 -5.567 1.00 0.00 C ATOM 143 O VAL A 10 0.196 5.604 -6.447 1.00 0.00 O ATOM 144 CB VAL A 10 -2.213 4.184 -5.779 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.478 2.691 -5.976 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.469 4.844 -5.202 1.00 0.00 C ATOM 0 H VAL A 10 -2.014 6.169 -4.184 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.864 3.434 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.962 4.642 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.308 2.557 -6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.586 2.214 -6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.729 2.236 -5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.300 4.712 -5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.716 4.382 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.286 5.908 -5.054 1.00 0.00 H new ATOM 156 N VAL A 11 1.331 4.165 -5.229 1.00 0.00 N ATOM 157 CA VAL A 11 2.600 4.497 -5.922 1.00 0.00 C ATOM 158 C VAL A 11 2.762 3.575 -7.130 1.00 0.00 C ATOM 159 O VAL A 11 2.890 2.374 -6.989 1.00 0.00 O ATOM 160 CB VAL A 11 3.779 4.299 -4.963 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.077 4.803 -5.604 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.522 5.067 -3.665 1.00 0.00 C ATOM 0 H VAL A 11 1.409 3.457 -4.499 1.00 0.00 H new ATOM 0 HA VAL A 11 2.578 5.536 -6.251 1.00 0.00 H new ATOM 0 HB VAL A 11 3.879 3.235 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.906 4.656 -4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.269 4.248 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.981 5.864 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.362 4.924 -2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.411 6.128 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.610 4.696 -3.197 1.00 0.00 H new ATOM 172 N ASP A 12 2.743 4.114 -8.317 1.00 0.00 N ATOM 173 CA ASP A 12 2.880 3.246 -9.519 1.00 0.00 C ATOM 174 C ASP A 12 2.970 4.111 -10.778 1.00 0.00 C ATOM 175 O ASP A 12 3.163 5.308 -10.710 1.00 0.00 O ATOM 176 CB ASP A 12 1.650 2.344 -9.611 1.00 0.00 C ATOM 177 CG ASP A 12 1.972 0.976 -9.008 1.00 0.00 C ATOM 178 OD1 ASP A 12 2.714 0.234 -9.632 1.00 0.00 O ATOM 179 OD2 ASP A 12 1.472 0.691 -7.932 1.00 0.00 O ATOM 0 H ASP A 12 2.639 5.111 -8.506 1.00 0.00 H new ATOM 0 HA ASP A 12 3.785 2.644 -9.437 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.813 2.798 -9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.346 2.232 -10.652 1.00 0.00 H new ATOM 184 N ASP A 13 2.829 3.510 -11.929 1.00 0.00 N ATOM 185 CA ASP A 13 2.901 4.292 -13.188 1.00 0.00 C ATOM 186 C ASP A 13 2.078 3.599 -14.280 1.00 0.00 C ATOM 187 O ASP A 13 2.139 3.976 -15.434 1.00 0.00 O ATOM 188 CB ASP A 13 4.360 4.395 -13.638 1.00 0.00 C ATOM 189 CG ASP A 13 5.188 3.320 -12.932 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.771 2.174 -12.947 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.225 3.662 -12.387 1.00 0.00 O ATOM 0 H ASP A 13 2.667 2.510 -12.048 1.00 0.00 H new ATOM 0 HA ASP A 13 2.498 5.290 -13.015 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.428 4.270 -14.719 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.755 5.384 -13.406 1.00 0.00 H new ATOM 196 N PHE A 14 1.305 2.594 -13.943 1.00 0.00 N ATOM 197 CA PHE A 14 0.499 1.921 -15.004 1.00 0.00 C ATOM 198 C PHE A 14 -0.270 2.990 -15.782 1.00 0.00 C ATOM 199 O PHE A 14 -0.454 2.889 -16.979 1.00 0.00 O ATOM 200 CB PHE A 14 -0.495 0.908 -14.398 1.00 0.00 C ATOM 201 CG PHE A 14 -0.637 1.102 -12.912 1.00 0.00 C ATOM 202 CD1 PHE A 14 -1.267 2.244 -12.420 1.00 0.00 C ATOM 203 CD2 PHE A 14 -0.190 0.109 -12.032 1.00 0.00 C ATOM 204 CE1 PHE A 14 -1.456 2.399 -11.039 1.00 0.00 C ATOM 205 CE2 PHE A 14 -0.369 0.265 -10.653 1.00 0.00 C ATOM 206 CZ PHE A 14 -1.006 1.409 -10.156 1.00 0.00 C ATOM 0 H PHE A 14 1.200 2.219 -13.000 1.00 0.00 H new ATOM 0 HA PHE A 14 1.172 1.374 -15.664 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.468 1.020 -14.876 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.154 -0.107 -14.603 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.609 3.009 -13.102 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.293 -0.777 -12.417 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.948 3.281 -10.657 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.016 -0.496 -9.973 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.150 1.528 -9.092 1.00 0.00 H new ATOM 216 N SER A 15 -0.712 4.020 -15.110 1.00 0.00 N ATOM 217 CA SER A 15 -1.467 5.100 -15.808 1.00 0.00 C ATOM 218 C SER A 15 -2.856 4.580 -16.171 1.00 0.00 C ATOM 219 O SER A 15 -3.433 4.962 -17.170 1.00 0.00 O ATOM 220 CB SER A 15 -0.724 5.502 -17.082 1.00 0.00 C ATOM 221 OG SER A 15 -0.889 6.897 -17.301 1.00 0.00 O ATOM 0 H SER A 15 -0.583 4.160 -14.108 1.00 0.00 H new ATOM 0 HA SER A 15 -1.557 5.968 -15.155 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.335 5.259 -16.991 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.108 4.940 -17.934 1.00 0.00 H new ATOM 0 HG SER A 15 -0.413 7.159 -18.116 1.00 0.00 H new ATOM 227 N THR A 16 -3.390 3.702 -15.368 1.00 0.00 N ATOM 228 CA THR A 16 -4.737 3.137 -15.658 1.00 0.00 C ATOM 229 C THR A 16 -5.135 2.200 -14.531 1.00 0.00 C ATOM 230 O THR A 16 -6.296 2.039 -14.223 1.00 0.00 O ATOM 231 CB THR A 16 -4.683 2.340 -16.961 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.884 1.594 -17.101 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.489 1.383 -16.912 1.00 0.00 C ATOM 0 H THR A 16 -2.948 3.350 -14.519 1.00 0.00 H new ATOM 0 HA THR A 16 -5.461 3.947 -15.748 1.00 0.00 H new ATOM 0 HB THR A 16 -4.574 3.017 -17.808 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.856 1.082 -17.936 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.443 0.810 -17.838 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.569 1.955 -16.793 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.604 0.701 -16.069 1.00 0.00 H new ATOM 241 N MET A 17 -4.185 1.578 -13.909 1.00 0.00 N ATOM 242 CA MET A 17 -4.531 0.667 -12.800 1.00 0.00 C ATOM 243 C MET A 17 -4.928 1.539 -11.603 1.00 0.00 C ATOM 244 O MET A 17 -5.822 1.210 -10.850 1.00 0.00 O ATOM 245 CB MET A 17 -3.313 -0.209 -12.472 1.00 0.00 C ATOM 246 CG MET A 17 -3.718 -1.625 -12.052 1.00 0.00 C ATOM 247 SD MET A 17 -3.108 -2.810 -13.277 1.00 0.00 S ATOM 248 CE MET A 17 -4.416 -2.562 -14.502 1.00 0.00 C ATOM 0 H MET A 17 -3.190 1.660 -14.119 1.00 0.00 H new ATOM 0 HA MET A 17 -5.357 0.006 -13.061 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.660 -0.263 -13.343 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.738 0.256 -11.671 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.307 -1.857 -11.069 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.803 -1.696 -11.969 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.237 -3.208 -15.362 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.381 -2.808 -14.059 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.420 -1.521 -14.825 1.00 0.00 H new ATOM 258 N ARG A 18 -4.280 2.670 -11.438 1.00 0.00 N ATOM 259 CA ARG A 18 -4.642 3.577 -10.310 1.00 0.00 C ATOM 260 C ARG A 18 -6.152 3.728 -10.227 1.00 0.00 C ATOM 261 O ARG A 18 -6.740 3.617 -9.169 1.00 0.00 O ATOM 262 CB ARG A 18 -4.084 4.984 -10.535 1.00 0.00 C ATOM 263 CG ARG A 18 -3.754 5.201 -12.018 1.00 0.00 C ATOM 264 CD ARG A 18 -3.686 6.701 -12.331 1.00 0.00 C ATOM 265 NE ARG A 18 -4.905 7.107 -13.090 1.00 0.00 N ATOM 266 CZ ARG A 18 -5.779 7.910 -12.547 1.00 0.00 C ATOM 267 NH1 ARG A 18 -5.382 8.876 -11.765 1.00 0.00 N ATOM 268 NH2 ARG A 18 -7.051 7.749 -12.792 1.00 0.00 N ATOM 0 H ARG A 18 -3.521 2.999 -12.034 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.229 3.137 -9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.811 5.727 -10.206 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.187 5.127 -9.932 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.802 4.728 -12.259 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.513 4.726 -12.640 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.613 7.273 -11.406 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.792 6.922 -12.914 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.056 6.756 -14.036 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.388 9.004 -11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.066 9.503 -11.341 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.361 6.996 -13.407 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.735 8.376 -12.368 1.00 0.00 H new ATOM 282 N ARG A 19 -6.786 4.034 -11.324 1.00 0.00 N ATOM 283 CA ARG A 19 -8.250 4.245 -11.261 1.00 0.00 C ATOM 284 C ARG A 19 -8.963 2.934 -10.911 1.00 0.00 C ATOM 285 O ARG A 19 -10.035 2.940 -10.342 1.00 0.00 O ATOM 286 CB ARG A 19 -8.774 4.790 -12.594 1.00 0.00 C ATOM 287 CG ARG A 19 -8.143 4.024 -13.756 1.00 0.00 C ATOM 288 CD ARG A 19 -8.723 4.527 -15.079 1.00 0.00 C ATOM 289 NE ARG A 19 -9.205 3.368 -15.880 1.00 0.00 N ATOM 290 CZ ARG A 19 -10.379 3.411 -16.449 1.00 0.00 C ATOM 291 NH1 ARG A 19 -10.761 4.493 -17.071 1.00 0.00 N ATOM 292 NH2 ARG A 19 -11.170 2.376 -16.392 1.00 0.00 N ATOM 0 H ARG A 19 -6.360 4.145 -12.244 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.457 4.977 -10.481 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.859 4.697 -12.633 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.542 5.852 -12.679 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.061 4.157 -13.748 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.333 2.956 -13.647 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.544 5.219 -14.889 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.964 5.077 -15.635 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.618 2.540 -15.984 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.143 5.303 -17.112 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.678 4.528 -17.516 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.871 1.532 -15.903 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.087 2.410 -16.837 1.00 0.00 H new ATOM 306 N ILE A 20 -8.379 1.813 -11.237 1.00 0.00 N ATOM 307 CA ILE A 20 -9.040 0.516 -10.905 1.00 0.00 C ATOM 308 C ILE A 20 -9.017 0.319 -9.391 1.00 0.00 C ATOM 309 O ILE A 20 -10.035 0.092 -8.768 1.00 0.00 O ATOM 310 CB ILE A 20 -8.294 -0.637 -11.599 1.00 0.00 C ATOM 311 CG1 ILE A 20 -9.024 -1.000 -12.894 1.00 0.00 C ATOM 312 CG2 ILE A 20 -8.233 -1.877 -10.692 1.00 0.00 C ATOM 313 CD1 ILE A 20 -8.106 -1.848 -13.776 1.00 0.00 C ATOM 0 H ILE A 20 -7.481 1.737 -11.715 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.073 0.527 -11.254 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.276 -0.312 -11.814 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.938 -1.550 -12.667 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.320 -0.094 -13.423 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.701 -2.678 -11.206 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.710 -1.627 -9.769 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.245 -2.206 -10.457 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.625 -2.107 -14.699 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.205 -1.282 -14.013 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.832 -2.760 -13.245 1.00 0.00 H new ATOM 325 N VAL A 21 -7.860 0.392 -8.792 1.00 0.00 N ATOM 326 CA VAL A 21 -7.778 0.195 -7.321 1.00 0.00 C ATOM 327 C VAL A 21 -8.650 1.236 -6.617 1.00 0.00 C ATOM 328 O VAL A 21 -9.335 0.936 -5.660 1.00 0.00 O ATOM 329 CB VAL A 21 -6.328 0.331 -6.856 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.865 -0.996 -6.258 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.431 0.674 -8.045 1.00 0.00 C ATOM 0 H VAL A 21 -6.972 0.579 -9.257 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.136 -0.804 -7.072 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.265 1.123 -6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.831 -0.904 -5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.498 -1.253 -5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.935 -1.779 -7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.399 0.770 -7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.497 -0.118 -8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.757 1.616 -8.487 1.00 0.00 H new ATOM 341 N ARG A 22 -8.645 2.453 -7.087 1.00 0.00 N ATOM 342 CA ARG A 22 -9.490 3.498 -6.443 1.00 0.00 C ATOM 343 C ARG A 22 -10.906 2.948 -6.291 1.00 0.00 C ATOM 344 O ARG A 22 -11.481 2.956 -5.220 1.00 0.00 O ATOM 345 CB ARG A 22 -9.535 4.741 -7.335 1.00 0.00 C ATOM 346 CG ARG A 22 -8.714 5.878 -6.708 1.00 0.00 C ATOM 347 CD ARG A 22 -8.966 7.184 -7.469 1.00 0.00 C ATOM 348 NE ARG A 22 -9.083 6.909 -8.928 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.984 7.889 -9.785 1.00 0.00 C ATOM 350 NH1 ARG A 22 -10.034 8.599 -10.088 1.00 0.00 N ATOM 351 NH2 ARG A 22 -7.832 8.158 -10.339 1.00 0.00 N ATOM 0 H ARG A 22 -8.095 2.768 -7.886 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.076 3.763 -5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.142 4.502 -8.323 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.568 5.062 -7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.986 5.999 -5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.653 5.630 -6.735 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.879 7.656 -7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.151 7.884 -7.287 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.240 5.956 -9.257 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.934 8.389 -9.656 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.956 9.365 -10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.010 7.602 -10.102 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.754 8.924 -11.009 1.00 0.00 H new ATOM 365 N ASN A 23 -11.461 2.458 -7.362 1.00 0.00 N ATOM 366 CA ASN A 23 -12.821 1.887 -7.318 1.00 0.00 C ATOM 367 C ASN A 23 -12.834 0.744 -6.319 1.00 0.00 C ATOM 368 O ASN A 23 -13.571 0.743 -5.356 1.00 0.00 O ATOM 369 CB ASN A 23 -13.120 1.336 -8.698 1.00 0.00 C ATOM 370 CG ASN A 23 -14.544 1.707 -9.115 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.788 2.036 -10.259 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.502 1.668 -8.230 1.00 0.00 N ATOM 0 H ASN A 23 -11.016 2.432 -8.280 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.557 2.637 -7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.406 1.734 -9.419 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.003 0.252 -8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.455 1.914 -8.499 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.298 1.392 -7.269 1.00 0.00 H new ATOM 379 N LEU A 24 -12.011 -0.231 -6.562 1.00 0.00 N ATOM 380 CA LEU A 24 -11.929 -1.409 -5.651 1.00 0.00 C ATOM 381 C LEU A 24 -11.958 -0.926 -4.197 1.00 0.00 C ATOM 382 O LEU A 24 -12.448 -1.603 -3.314 1.00 0.00 O ATOM 383 CB LEU A 24 -10.615 -2.148 -5.937 1.00 0.00 C ATOM 384 CG LEU A 24 -10.572 -3.508 -5.205 1.00 0.00 C ATOM 385 CD1 LEU A 24 -9.991 -4.562 -6.149 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.700 -3.453 -3.935 1.00 0.00 C ATOM 0 H LEU A 24 -11.381 -0.266 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.772 -2.081 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.509 -2.306 -7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.772 -1.534 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.590 -3.760 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.957 -5.526 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.619 -4.642 -7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.983 -4.271 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.698 -4.430 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.680 -3.180 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.104 -2.710 -3.248 1.00 0.00 H new ATOM 398 N LEU A 25 -11.455 0.253 -3.952 1.00 0.00 N ATOM 399 CA LEU A 25 -11.465 0.808 -2.568 1.00 0.00 C ATOM 400 C LEU A 25 -12.818 1.476 -2.326 1.00 0.00 C ATOM 401 O LEU A 25 -13.343 1.461 -1.230 1.00 0.00 O ATOM 402 CB LEU A 25 -10.334 1.835 -2.437 1.00 0.00 C ATOM 403 CG LEU A 25 -9.071 1.157 -1.890 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.900 2.139 -1.957 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.284 0.724 -0.432 1.00 0.00 C ATOM 0 H LEU A 25 -11.035 0.860 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.313 0.018 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.125 2.283 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.640 2.643 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.855 0.275 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.001 1.660 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.734 2.437 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.129 3.020 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.379 0.245 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.509 1.599 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.115 0.021 -0.379 1.00 0.00 H new ATOM 417 N LYS A 26 -13.394 2.045 -3.348 1.00 0.00 N ATOM 418 CA LYS A 26 -14.717 2.691 -3.191 1.00 0.00 C ATOM 419 C LYS A 26 -15.774 1.608 -2.968 1.00 0.00 C ATOM 420 O LYS A 26 -16.720 1.790 -2.228 1.00 0.00 O ATOM 421 CB LYS A 26 -15.056 3.487 -4.452 1.00 0.00 C ATOM 422 CG LYS A 26 -16.415 4.168 -4.277 1.00 0.00 C ATOM 423 CD LYS A 26 -16.272 5.672 -4.518 1.00 0.00 C ATOM 424 CE LYS A 26 -17.615 6.359 -4.272 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.148 5.951 -2.941 1.00 0.00 N ATOM 0 H LYS A 26 -13.000 2.088 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.696 3.369 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.285 4.234 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.078 2.825 -5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.137 3.745 -4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.798 3.985 -3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.513 6.087 -3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.939 5.857 -5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.494 7.442 -4.310 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.322 6.089 -5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.831 6.661 -2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.621 5.029 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.365 5.878 -2.261 1.00 0.00 H new ATOM 439 N GLU A 27 -15.617 0.476 -3.603 1.00 0.00 N ATOM 440 CA GLU A 27 -16.604 -0.617 -3.426 1.00 0.00 C ATOM 441 C GLU A 27 -16.773 -0.903 -1.937 1.00 0.00 C ATOM 442 O GLU A 27 -17.851 -1.213 -1.470 1.00 0.00 O ATOM 443 CB GLU A 27 -16.109 -1.877 -4.139 1.00 0.00 C ATOM 444 CG GLU A 27 -17.295 -2.797 -4.437 1.00 0.00 C ATOM 445 CD GLU A 27 -18.083 -2.247 -5.627 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.469 -1.985 -6.649 1.00 0.00 O ATOM 447 OE2 GLU A 27 -19.286 -2.096 -5.496 1.00 0.00 O ATOM 0 H GLU A 27 -14.845 0.266 -4.236 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.562 -0.318 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.603 -1.608 -5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.380 -2.396 -3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.941 -3.804 -4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.941 -2.870 -3.562 1.00 0.00 H new ATOM 454 N LEU A 28 -15.712 -0.796 -1.184 1.00 0.00 N ATOM 455 CA LEU A 28 -15.809 -1.059 0.279 1.00 0.00 C ATOM 456 C LEU A 28 -16.375 0.176 0.980 1.00 0.00 C ATOM 457 O LEU A 28 -17.362 0.107 1.686 1.00 0.00 O ATOM 458 CB LEU A 28 -14.418 -1.365 0.837 1.00 0.00 C ATOM 459 CG LEU A 28 -14.298 -2.863 1.120 1.00 0.00 C ATOM 460 CD1 LEU A 28 -14.516 -3.648 -0.175 1.00 0.00 C ATOM 461 CD2 LEU A 28 -12.902 -3.167 1.672 1.00 0.00 C ATOM 0 H LEU A 28 -14.784 -0.538 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.466 -1.912 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.653 -1.057 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.249 -0.797 1.752 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.051 -3.155 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.430 -4.716 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.509 -3.432 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.764 -3.356 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.815 -4.235 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.150 -2.874 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.746 -2.609 2.595 1.00 0.00 H new ATOM 473 N GLY A 29 -15.751 1.304 0.794 1.00 0.00 N ATOM 474 CA GLY A 29 -16.235 2.543 1.447 1.00 0.00 C ATOM 475 C GLY A 29 -15.070 3.523 1.607 1.00 0.00 C ATOM 476 O GLY A 29 -14.691 3.867 2.704 1.00 0.00 O ATOM 0 H GLY A 29 -14.921 1.418 0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.026 2.996 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.665 2.310 2.421 1.00 0.00 H new ATOM 480 N PHE A 30 -14.492 3.972 0.527 1.00 0.00 N ATOM 481 CA PHE A 30 -13.347 4.924 0.642 1.00 0.00 C ATOM 482 C PHE A 30 -13.317 5.849 -0.581 1.00 0.00 C ATOM 483 O PHE A 30 -13.586 5.428 -1.689 1.00 0.00 O ATOM 484 CB PHE A 30 -12.042 4.134 0.700 1.00 0.00 C ATOM 485 CG PHE A 30 -11.982 3.320 1.969 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.447 3.880 3.128 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.454 2.004 1.982 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.379 3.125 4.305 1.00 0.00 C ATOM 489 CE2 PHE A 30 -12.390 1.248 3.159 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.852 1.809 4.321 1.00 0.00 C ATOM 0 H PHE A 30 -14.760 3.724 -0.425 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.464 5.521 1.547 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.967 3.477 -0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.193 4.816 0.656 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.085 4.897 3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.868 1.570 1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.961 3.559 5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.756 0.232 3.169 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.802 1.227 5.229 1.00 0.00 H new ATOM 500 N ASN A 31 -12.992 7.104 -0.396 1.00 0.00 N ATOM 501 CA ASN A 31 -12.950 8.033 -1.564 1.00 0.00 C ATOM 502 C ASN A 31 -11.910 9.143 -1.340 1.00 0.00 C ATOM 503 O ASN A 31 -12.254 10.303 -1.214 1.00 0.00 O ATOM 504 CB ASN A 31 -14.333 8.660 -1.757 1.00 0.00 C ATOM 505 CG ASN A 31 -14.475 9.152 -3.198 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.240 8.326 -4.180 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -14.804 10.297 -3.432 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.756 7.521 0.504 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.667 7.469 -2.453 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.110 7.929 -1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.467 9.490 -1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.988 10.942 -2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.897 10.614 -4.397 1.00 0.00 H new ATOM 514 N ASN A 32 -10.641 8.815 -1.299 1.00 0.00 N ATOM 515 CA ASN A 32 -9.606 9.877 -1.093 1.00 0.00 C ATOM 516 C ASN A 32 -8.198 9.272 -1.192 1.00 0.00 C ATOM 517 O ASN A 32 -7.716 8.646 -0.268 1.00 0.00 O ATOM 518 CB ASN A 32 -9.786 10.516 0.291 1.00 0.00 C ATOM 519 CG ASN A 32 -9.635 12.034 0.173 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.446 12.551 0.031 1.00 0.00 O flip ATOM 521 ND2 ASN A 32 -10.612 12.757 0.212 1.00 0.00 N flip ATOM 0 H ASN A 32 -10.279 7.866 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.726 10.636 -1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.768 10.267 0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.046 10.119 0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.542 12.352 0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.502 13.768 0.134 1.00 0.00 H new ATOM 528 N VAL A 33 -7.528 9.461 -2.303 1.00 0.00 N ATOM 529 CA VAL A 33 -6.149 8.900 -2.447 1.00 0.00 C ATOM 530 C VAL A 33 -5.297 9.818 -3.325 1.00 0.00 C ATOM 531 O VAL A 33 -5.761 10.814 -3.843 1.00 0.00 O ATOM 532 CB VAL A 33 -6.209 7.506 -3.097 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.531 6.824 -2.750 1.00 0.00 C ATOM 534 CG2 VAL A 33 -6.091 7.619 -4.624 1.00 0.00 C ATOM 0 H VAL A 33 -7.874 9.977 -3.112 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.704 8.823 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.377 6.915 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.565 5.838 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.613 6.719 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.360 7.428 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.135 6.624 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.912 8.224 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.142 8.089 -4.882 1.00 0.00 H new ATOM 544 N GLU A 34 -4.055 9.462 -3.518 1.00 0.00 N ATOM 545 CA GLU A 34 -3.162 10.274 -4.387 1.00 0.00 C ATOM 546 C GLU A 34 -2.301 9.304 -5.194 1.00 0.00 C ATOM 547 O GLU A 34 -2.584 8.123 -5.245 1.00 0.00 O ATOM 548 CB GLU A 34 -2.279 11.185 -3.529 1.00 0.00 C ATOM 549 CG GLU A 34 -3.135 12.261 -2.846 1.00 0.00 C ATOM 550 CD GLU A 34 -2.357 13.579 -2.803 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.881 13.996 -3.845 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.250 14.146 -1.729 1.00 0.00 O ATOM 0 H GLU A 34 -3.620 8.636 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.746 10.908 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.756 10.594 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.517 11.656 -4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.070 12.396 -3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.395 11.947 -1.835 1.00 0.00 H new ATOM 559 N GLU A 35 -1.271 9.774 -5.835 1.00 0.00 N ATOM 560 CA GLU A 35 -0.432 8.842 -6.644 1.00 0.00 C ATOM 561 C GLU A 35 1.033 9.281 -6.646 1.00 0.00 C ATOM 562 O GLU A 35 1.351 10.451 -6.573 1.00 0.00 O ATOM 563 CB GLU A 35 -0.950 8.819 -8.083 1.00 0.00 C ATOM 564 CG GLU A 35 -0.647 7.458 -8.713 1.00 0.00 C ATOM 565 CD GLU A 35 -0.490 7.620 -10.226 1.00 0.00 C ATOM 566 OE1 GLU A 35 -1.460 7.994 -10.864 1.00 0.00 O ATOM 567 OE2 GLU A 35 0.596 7.370 -10.719 1.00 0.00 O ATOM 0 H GLU A 35 -0.974 10.750 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.495 7.848 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.024 9.007 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.479 9.613 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.265 7.042 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.452 6.756 -8.493 1.00 0.00 H new ATOM 574 N ALA A 36 1.921 8.329 -6.749 1.00 0.00 N ATOM 575 CA ALA A 36 3.376 8.639 -6.783 1.00 0.00 C ATOM 576 C ALA A 36 4.029 7.746 -7.836 1.00 0.00 C ATOM 577 O ALA A 36 3.349 7.118 -8.624 1.00 0.00 O ATOM 578 CB ALA A 36 3.994 8.366 -5.411 1.00 0.00 C ATOM 0 H ALA A 36 1.695 7.336 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 36 3.534 9.688 -7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.059 8.594 -5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.509 8.992 -4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.855 7.317 -5.151 1.00 0.00 H new ATOM 584 N GLU A 37 5.331 7.686 -7.870 1.00 0.00 N ATOM 585 CA GLU A 37 6.001 6.833 -8.894 1.00 0.00 C ATOM 586 C GLU A 37 7.274 6.201 -8.323 1.00 0.00 C ATOM 587 O GLU A 37 8.028 5.575 -9.039 1.00 0.00 O ATOM 588 CB GLU A 37 6.362 7.695 -10.104 1.00 0.00 C ATOM 589 CG GLU A 37 7.047 8.978 -9.634 1.00 0.00 C ATOM 590 CD GLU A 37 7.849 9.578 -10.789 1.00 0.00 C ATOM 591 OE1 GLU A 37 7.519 9.286 -11.927 1.00 0.00 O ATOM 592 OE2 GLU A 37 8.780 10.319 -10.518 1.00 0.00 O ATOM 0 H GLU A 37 5.957 8.186 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 37 5.319 6.035 -9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.022 7.143 -10.773 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.464 7.937 -10.671 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.303 9.693 -9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.705 8.764 -8.792 1.00 0.00 H new ATOM 599 N ASP A 38 7.521 6.347 -7.047 1.00 0.00 N ATOM 600 CA ASP A 38 8.753 5.741 -6.456 1.00 0.00 C ATOM 601 C ASP A 38 8.768 5.975 -4.947 1.00 0.00 C ATOM 602 O ASP A 38 8.231 6.948 -4.456 1.00 0.00 O ATOM 603 CB ASP A 38 9.995 6.393 -7.074 1.00 0.00 C ATOM 604 CG ASP A 38 11.247 5.922 -6.329 1.00 0.00 C ATOM 605 OD1 ASP A 38 11.210 4.833 -5.779 1.00 0.00 O ATOM 606 OD2 ASP A 38 12.221 6.655 -6.326 1.00 0.00 O ATOM 0 H ASP A 38 6.928 6.856 -6.392 1.00 0.00 H new ATOM 0 HA ASP A 38 8.757 4.671 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.068 6.132 -8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.914 7.479 -7.019 1.00 0.00 H new ATOM 611 N GLY A 39 9.388 5.098 -4.207 1.00 0.00 N ATOM 612 CA GLY A 39 9.444 5.282 -2.731 1.00 0.00 C ATOM 613 C GLY A 39 9.974 6.681 -2.421 1.00 0.00 C ATOM 614 O GLY A 39 9.645 7.272 -1.411 1.00 0.00 O ATOM 0 H GLY A 39 9.857 4.264 -4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.452 5.151 -2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.090 4.527 -2.282 1.00 0.00 H new ATOM 618 N VAL A 40 10.790 7.222 -3.286 1.00 0.00 N ATOM 619 CA VAL A 40 11.333 8.586 -3.043 1.00 0.00 C ATOM 620 C VAL A 40 10.218 9.608 -3.258 1.00 0.00 C ATOM 621 O VAL A 40 10.100 10.577 -2.533 1.00 0.00 O ATOM 622 CB VAL A 40 12.480 8.866 -4.013 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.846 10.350 -3.957 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.696 8.027 -3.617 1.00 0.00 C ATOM 0 H VAL A 40 11.103 6.777 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 40 11.707 8.656 -2.022 1.00 0.00 H new ATOM 0 HB VAL A 40 12.171 8.606 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.664 10.549 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.980 10.949 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.155 10.611 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.515 8.225 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.004 8.288 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.436 6.969 -3.656 1.00 0.00 H new ATOM 634 N ASP A 41 9.388 9.390 -4.240 1.00 0.00 N ATOM 635 CA ASP A 41 8.272 10.336 -4.490 1.00 0.00 C ATOM 636 C ASP A 41 7.254 10.180 -3.368 1.00 0.00 C ATOM 637 O ASP A 41 6.753 11.143 -2.824 1.00 0.00 O ATOM 638 CB ASP A 41 7.613 9.994 -5.824 1.00 0.00 C ATOM 639 CG ASP A 41 6.819 11.201 -6.329 1.00 0.00 C ATOM 640 OD1 ASP A 41 6.610 12.117 -5.549 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.434 11.191 -7.486 1.00 0.00 O ATOM 0 H ASP A 41 9.437 8.596 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 41 8.642 11.361 -4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.372 9.714 -6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.952 9.135 -5.705 1.00 0.00 H new ATOM 646 N ALA A 42 6.960 8.962 -3.012 1.00 0.00 N ATOM 647 CA ALA A 42 5.989 8.718 -1.916 1.00 0.00 C ATOM 648 C ALA A 42 6.576 9.246 -0.607 1.00 0.00 C ATOM 649 O ALA A 42 6.018 10.120 0.025 1.00 0.00 O ATOM 650 CB ALA A 42 5.732 7.214 -1.788 1.00 0.00 C ATOM 0 H ALA A 42 7.354 8.122 -3.436 1.00 0.00 H new ATOM 0 HA ALA A 42 5.050 9.228 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.019 7.034 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.325 6.833 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.668 6.703 -1.564 1.00 0.00 H new ATOM 656 N LEU A 43 7.702 8.724 -0.201 1.00 0.00 N ATOM 657 CA LEU A 43 8.334 9.193 1.065 1.00 0.00 C ATOM 658 C LEU A 43 8.310 10.723 1.113 1.00 0.00 C ATOM 659 O LEU A 43 8.182 11.319 2.164 1.00 0.00 O ATOM 660 CB LEU A 43 9.785 8.700 1.119 1.00 0.00 C ATOM 661 CG LEU A 43 10.418 9.075 2.465 1.00 0.00 C ATOM 662 CD1 LEU A 43 9.687 8.365 3.609 1.00 0.00 C ATOM 663 CD2 LEU A 43 11.888 8.649 2.466 1.00 0.00 C ATOM 0 H LEU A 43 8.213 7.991 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 43 7.782 8.797 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.816 7.619 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.358 9.141 0.303 1.00 0.00 H new ATOM 0 HG LEU A 43 10.341 10.153 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.145 8.639 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.639 8.664 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.756 7.286 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.343 8.913 3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.955 7.571 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.415 9.159 1.660 1.00 0.00 H new ATOM 675 N ASN A 44 8.432 11.365 -0.018 1.00 0.00 N ATOM 676 CA ASN A 44 8.417 12.856 -0.030 1.00 0.00 C ATOM 677 C ASN A 44 6.970 13.354 -0.006 1.00 0.00 C ATOM 678 O ASN A 44 6.650 14.328 0.646 1.00 0.00 O ATOM 679 CB ASN A 44 9.112 13.363 -1.295 1.00 0.00 C ATOM 680 CG ASN A 44 10.596 13.589 -1.004 1.00 0.00 C ATOM 681 OD1 ASN A 44 11.055 14.714 -0.959 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.374 12.560 -0.802 1.00 0.00 N ATOM 0 H ASN A 44 8.541 10.923 -0.931 1.00 0.00 H new ATOM 0 HA ASN A 44 8.943 13.231 0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.994 12.640 -2.102 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.650 14.292 -1.629 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.365 12.701 -0.607 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.991 11.616 -0.839 1.00 0.00 H new ATOM 689 N LYS A 45 6.095 12.694 -0.711 1.00 0.00 N ATOM 690 CA LYS A 45 4.669 13.128 -0.727 1.00 0.00 C ATOM 691 C LYS A 45 3.936 12.497 0.457 1.00 0.00 C ATOM 692 O LYS A 45 2.763 12.726 0.667 1.00 0.00 O ATOM 693 CB LYS A 45 4.009 12.678 -2.033 1.00 0.00 C ATOM 694 CG LYS A 45 4.595 13.476 -3.201 1.00 0.00 C ATOM 695 CD LYS A 45 3.789 14.762 -3.400 1.00 0.00 C ATOM 696 CE LYS A 45 4.691 15.841 -4.001 1.00 0.00 C ATOM 697 NZ LYS A 45 3.897 17.082 -4.229 1.00 0.00 N ATOM 0 H LYS A 45 6.305 11.872 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 45 4.619 14.214 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.174 11.612 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.931 12.829 -1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.639 13.717 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.573 12.877 -4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.941 14.574 -4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.384 15.101 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.525 16.048 -3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.117 15.491 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.510 17.816 -4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.116 16.879 -4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.511 17.418 -3.324 1.00 0.00 H new ATOM 711 N LEU A 46 4.623 11.706 1.231 1.00 0.00 N ATOM 712 CA LEU A 46 3.978 11.053 2.404 1.00 0.00 C ATOM 713 C LEU A 46 3.679 12.112 3.470 1.00 0.00 C ATOM 714 O LEU A 46 2.978 11.857 4.429 1.00 0.00 O ATOM 715 CB LEU A 46 4.936 9.999 2.975 1.00 0.00 C ATOM 716 CG LEU A 46 4.283 8.607 2.992 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.064 8.610 3.911 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.837 8.209 1.583 1.00 0.00 C ATOM 0 H LEU A 46 5.610 11.482 1.101 1.00 0.00 H new ATOM 0 HA LEU A 46 3.047 10.575 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.847 9.969 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.228 10.279 3.987 1.00 0.00 H new ATOM 0 HG LEU A 46 5.019 7.891 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.609 7.619 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.372 8.873 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.339 9.340 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.377 7.221 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.114 8.935 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.702 8.187 0.920 1.00 0.00 H new ATOM 730 N GLN A 47 4.202 13.299 3.302 1.00 0.00 N ATOM 731 CA GLN A 47 3.949 14.384 4.295 1.00 0.00 C ATOM 732 C GLN A 47 2.897 15.343 3.737 1.00 0.00 C ATOM 733 O GLN A 47 2.429 16.232 4.421 1.00 0.00 O ATOM 734 CB GLN A 47 5.247 15.151 4.557 1.00 0.00 C ATOM 735 CG GLN A 47 5.735 15.792 3.256 1.00 0.00 C ATOM 736 CD GLN A 47 7.236 15.548 3.101 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.992 16.469 2.865 1.00 0.00 O ATOM 738 NE2 GLN A 47 7.704 14.336 3.225 1.00 0.00 N ATOM 0 H GLN A 47 4.796 13.564 2.516 1.00 0.00 H new ATOM 0 HA GLN A 47 3.591 13.948 5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.082 15.919 5.313 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.008 14.476 4.949 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.197 15.371 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.528 16.862 3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.070 13.562 3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.704 14.163 3.124 1.00 0.00 H new ATOM 747 N ALA A 48 2.524 15.169 2.498 1.00 0.00 N ATOM 748 CA ALA A 48 1.507 16.068 1.887 1.00 0.00 C ATOM 749 C ALA A 48 0.336 16.250 2.855 1.00 0.00 C ATOM 750 O ALA A 48 -0.025 17.357 3.203 1.00 0.00 O ATOM 751 CB ALA A 48 0.999 15.450 0.583 1.00 0.00 C ATOM 0 H ALA A 48 2.882 14.440 1.881 1.00 0.00 H new ATOM 0 HA ALA A 48 1.959 17.038 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.254 16.108 0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.832 15.322 -0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.548 14.480 0.792 1.00 0.00 H new ATOM 757 N GLY A 49 -0.259 15.172 3.292 1.00 0.00 N ATOM 758 CA GLY A 49 -1.407 15.280 4.238 1.00 0.00 C ATOM 759 C GLY A 49 -1.343 14.139 5.254 1.00 0.00 C ATOM 760 O GLY A 49 -2.239 13.957 6.054 1.00 0.00 O ATOM 0 H GLY A 49 0.001 14.220 3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.378 16.241 4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.348 15.240 3.690 1.00 0.00 H new ATOM 764 N GLY A 50 -0.290 13.368 5.229 1.00 0.00 N ATOM 765 CA GLY A 50 -0.174 12.238 6.193 1.00 0.00 C ATOM 766 C GLY A 50 -1.156 11.138 5.797 1.00 0.00 C ATOM 767 O GLY A 50 -2.291 11.118 6.233 1.00 0.00 O ATOM 0 H GLY A 50 0.493 13.472 4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.844 11.849 6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.386 12.584 7.205 1.00 0.00 H new ATOM 771 N TYR A 51 -0.734 10.224 4.969 1.00 0.00 N ATOM 772 CA TYR A 51 -1.644 9.133 4.539 1.00 0.00 C ATOM 773 C TYR A 51 -1.791 8.108 5.653 1.00 0.00 C ATOM 774 O TYR A 51 -0.905 7.923 6.463 1.00 0.00 O ATOM 775 CB TYR A 51 -1.056 8.439 3.311 1.00 0.00 C ATOM 776 CG TYR A 51 -1.081 9.385 2.142 1.00 0.00 C ATOM 777 CD1 TYR A 51 -0.165 10.438 2.085 1.00 0.00 C ATOM 778 CD2 TYR A 51 -2.021 9.214 1.121 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.187 11.325 1.007 1.00 0.00 C ATOM 780 CE2 TYR A 51 -2.042 10.100 0.039 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.123 11.158 -0.017 1.00 0.00 C ATOM 782 OH TYR A 51 -1.141 12.038 -1.077 1.00 0.00 O ATOM 0 H TYR A 51 0.205 10.188 4.572 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.619 9.558 4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.033 8.122 3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.628 7.541 3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.560 10.566 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.729 8.400 1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.520 12.141 0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.765 9.970 -0.753 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.369 12.935 -0.754 1.00 0.00 H new ATOM 792 N GLY A 52 -2.896 7.420 5.675 1.00 0.00 N ATOM 793 CA GLY A 52 -3.112 6.370 6.704 1.00 0.00 C ATOM 794 C GLY A 52 -2.964 5.020 6.016 1.00 0.00 C ATOM 795 O GLY A 52 -3.209 3.980 6.589 1.00 0.00 O ATOM 0 H GLY A 52 -3.666 7.542 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.388 6.470 7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.102 6.467 7.149 1.00 0.00 H new ATOM 799 N PHE A 53 -2.577 5.040 4.771 1.00 0.00 N ATOM 800 CA PHE A 53 -2.414 3.773 4.015 1.00 0.00 C ATOM 801 C PHE A 53 -1.629 4.057 2.739 1.00 0.00 C ATOM 802 O PHE A 53 -1.820 5.073 2.105 1.00 0.00 O ATOM 803 CB PHE A 53 -3.788 3.260 3.635 1.00 0.00 C ATOM 804 CG PHE A 53 -3.910 1.787 3.911 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.290 1.346 5.176 1.00 0.00 C ATOM 806 CD2 PHE A 53 -3.704 0.864 2.884 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.455 -0.014 5.421 1.00 0.00 C ATOM 808 CE2 PHE A 53 -3.878 -0.495 3.119 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.253 -0.942 4.392 1.00 0.00 C ATOM 0 H PHE A 53 -2.366 5.887 4.244 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.887 3.037 4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.550 3.803 4.195 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.972 3.452 2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.457 2.061 5.968 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.408 1.207 1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.739 -0.354 6.406 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.724 -1.206 2.320 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.386 -1.997 4.579 1.00 0.00 H new ATOM 819 N VAL A 54 -0.758 3.168 2.350 1.00 0.00 N ATOM 820 CA VAL A 54 0.024 3.395 1.099 1.00 0.00 C ATOM 821 C VAL A 54 0.108 2.088 0.305 1.00 0.00 C ATOM 822 O VAL A 54 0.787 1.156 0.688 1.00 0.00 O ATOM 823 CB VAL A 54 1.438 3.866 1.450 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.318 3.809 0.202 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.414 5.305 1.981 1.00 0.00 C ATOM 0 H VAL A 54 -0.553 2.297 2.840 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.473 4.158 0.499 1.00 0.00 H new ATOM 0 HB VAL A 54 1.839 3.211 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.325 4.144 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.358 2.785 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.900 4.457 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.429 5.620 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.001 5.967 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.795 5.352 2.877 1.00 0.00 H new ATOM 835 N ILE A 55 -0.576 2.023 -0.806 1.00 0.00 N ATOM 836 CA ILE A 55 -0.536 0.791 -1.643 1.00 0.00 C ATOM 837 C ILE A 55 0.589 0.939 -2.675 1.00 0.00 C ATOM 838 O ILE A 55 0.378 1.452 -3.758 1.00 0.00 O ATOM 839 CB ILE A 55 -1.866 0.636 -2.387 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.028 0.741 -1.398 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.906 -0.730 -3.070 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.353 0.670 -2.163 1.00 0.00 C ATOM 0 H ILE A 55 -1.163 2.774 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.365 -0.080 -1.011 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.956 1.425 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.973 -0.066 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.965 1.677 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.851 -0.844 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.081 -0.807 -3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.814 -1.515 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.183 0.745 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.406 1.493 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.414 -0.278 -2.698 1.00 0.00 H new ATOM 854 N SER A 56 1.780 0.504 -2.352 1.00 0.00 N ATOM 855 CA SER A 56 2.907 0.629 -3.326 1.00 0.00 C ATOM 856 C SER A 56 3.097 -0.706 -4.047 1.00 0.00 C ATOM 857 O SER A 56 2.583 -1.725 -3.629 1.00 0.00 O ATOM 858 CB SER A 56 4.195 1.011 -2.590 1.00 0.00 C ATOM 859 OG SER A 56 5.222 0.088 -2.929 1.00 0.00 O ATOM 0 H SER A 56 2.021 0.070 -1.461 1.00 0.00 H new ATOM 0 HA SER A 56 2.675 1.407 -4.053 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.496 2.023 -2.861 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.027 1.006 -1.513 1.00 0.00 H new ATOM 0 HG SER A 56 6.067 0.376 -2.525 1.00 0.00 H new ATOM 865 N ASP A 57 3.818 -0.709 -5.134 1.00 0.00 N ATOM 866 CA ASP A 57 4.022 -1.979 -5.885 1.00 0.00 C ATOM 867 C ASP A 57 5.289 -2.684 -5.396 1.00 0.00 C ATOM 868 O ASP A 57 5.266 -3.414 -4.425 1.00 0.00 O ATOM 869 CB ASP A 57 4.146 -1.671 -7.381 1.00 0.00 C ATOM 870 CG ASP A 57 4.344 -2.975 -8.158 1.00 0.00 C ATOM 871 OD1 ASP A 57 5.302 -3.675 -7.872 1.00 0.00 O ATOM 872 OD2 ASP A 57 3.532 -3.253 -9.025 1.00 0.00 O ATOM 0 H ASP A 57 4.274 0.111 -5.534 1.00 0.00 H new ATOM 0 HA ASP A 57 3.168 -2.635 -5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.251 -1.158 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.987 -1.000 -7.556 1.00 0.00 H new ATOM 877 N TRP A 58 6.391 -2.487 -6.066 1.00 0.00 N ATOM 878 CA TRP A 58 7.648 -3.163 -5.641 1.00 0.00 C ATOM 879 C TRP A 58 8.838 -2.519 -6.357 1.00 0.00 C ATOM 880 O TRP A 58 9.055 -1.328 -6.263 1.00 0.00 O ATOM 881 CB TRP A 58 7.558 -4.646 -6.015 1.00 0.00 C ATOM 882 CG TRP A 58 8.669 -5.412 -5.371 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.647 -6.067 -6.040 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.930 -5.626 -3.954 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.489 -6.670 -5.124 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.091 -6.427 -3.825 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.282 -5.208 -2.778 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.587 -6.800 -2.575 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.782 -5.582 -1.519 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.930 -6.375 -1.420 1.00 0.00 C ATOM 0 H TRP A 58 6.475 -1.888 -6.888 1.00 0.00 H new ATOM 0 HA TRP A 58 7.784 -3.062 -4.564 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.597 -5.050 -5.698 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.609 -4.759 -7.098 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.752 -6.111 -7.114 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.305 -7.227 -5.377 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.395 -4.596 -2.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.473 -7.413 -2.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.277 -5.255 -0.622 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.308 -6.658 -0.449 1.00 0.00 H new ATOM 901 N ASN A 59 9.605 -3.301 -7.071 1.00 0.00 N ATOM 902 CA ASN A 59 10.784 -2.741 -7.797 1.00 0.00 C ATOM 903 C ASN A 59 10.456 -2.612 -9.285 1.00 0.00 C ATOM 904 O ASN A 59 11.193 -3.078 -10.133 1.00 0.00 O ATOM 905 CB ASN A 59 11.980 -3.679 -7.619 1.00 0.00 C ATOM 906 CG ASN A 59 13.277 -2.897 -7.835 1.00 0.00 C ATOM 907 OD1 ASN A 59 13.264 -1.817 -8.390 1.00 0.00 O ATOM 908 ND2 ASN A 59 14.405 -3.401 -7.414 1.00 0.00 N ATOM 0 H ASN A 59 9.466 -4.305 -7.183 1.00 0.00 H new ATOM 0 HA ASN A 59 11.026 -1.758 -7.394 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.968 -4.116 -6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.918 -4.504 -8.329 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.276 -2.888 -7.551 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.416 -4.308 -6.948 1.00 0.00 H new ATOM 915 N MET A 60 9.358 -1.983 -9.613 1.00 0.00 N ATOM 916 CA MET A 60 8.988 -1.826 -11.046 1.00 0.00 C ATOM 917 C MET A 60 9.522 -0.493 -11.604 1.00 0.00 C ATOM 918 O MET A 60 10.119 -0.487 -12.663 1.00 0.00 O ATOM 919 CB MET A 60 7.465 -1.887 -11.204 1.00 0.00 C ATOM 920 CG MET A 60 7.092 -3.076 -12.091 1.00 0.00 C ATOM 921 SD MET A 60 5.298 -3.118 -12.321 1.00 0.00 S ATOM 922 CE MET A 60 5.296 -3.880 -13.962 1.00 0.00 C ATOM 0 H MET A 60 8.703 -1.572 -8.948 1.00 0.00 H new ATOM 0 HA MET A 60 9.440 -2.642 -11.610 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.991 -1.985 -10.227 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.097 -0.961 -11.645 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.591 -2.994 -13.056 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.433 -4.005 -11.634 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.269 -4.002 -14.305 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.838 -3.242 -14.660 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.780 -4.855 -13.911 1.00 0.00 H new ATOM 932 N PRO A 61 9.299 0.605 -10.905 1.00 0.00 N ATOM 933 CA PRO A 61 9.773 1.920 -11.382 1.00 0.00 C ATOM 934 C PRO A 61 11.303 1.952 -11.391 1.00 0.00 C ATOM 935 O PRO A 61 11.930 1.933 -12.432 1.00 0.00 O ATOM 936 CB PRO A 61 9.218 2.933 -10.371 1.00 0.00 C ATOM 937 CG PRO A 61 8.422 2.145 -9.302 1.00 0.00 C ATOM 938 CD PRO A 61 8.575 0.648 -9.614 1.00 0.00 C ATOM 0 HA PRO A 61 9.443 2.138 -12.398 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.029 3.494 -9.907 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.574 3.658 -10.870 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.798 2.368 -8.304 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.371 2.433 -9.318 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.132 0.135 -8.830 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.604 0.158 -9.688 1.00 0.00 H new ATOM 946 N ASN A 62 11.908 2.000 -10.236 1.00 0.00 N ATOM 947 CA ASN A 62 13.396 2.029 -10.169 1.00 0.00 C ATOM 948 C ASN A 62 13.846 1.439 -8.831 1.00 0.00 C ATOM 949 O ASN A 62 14.519 0.428 -8.782 1.00 0.00 O ATOM 950 CB ASN A 62 13.885 3.475 -10.280 1.00 0.00 C ATOM 951 CG ASN A 62 13.145 4.344 -9.263 1.00 0.00 C ATOM 952 OD1 ASN A 62 13.612 4.540 -8.159 1.00 0.00 O ATOM 953 ND2 ASN A 62 12.000 4.876 -9.590 1.00 0.00 N ATOM 0 H ASN A 62 11.434 2.020 -9.333 1.00 0.00 H new ATOM 0 HA ASN A 62 13.813 1.444 -10.989 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.959 3.521 -10.100 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.714 3.851 -11.289 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.497 5.456 -8.919 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.607 4.712 -10.517 1.00 0.00 H new ATOM 960 N MET A 63 13.468 2.056 -7.746 1.00 0.00 N ATOM 961 CA MET A 63 13.863 1.525 -6.410 1.00 0.00 C ATOM 962 C MET A 63 12.812 0.515 -5.947 1.00 0.00 C ATOM 963 O MET A 63 11.813 0.307 -6.607 1.00 0.00 O ATOM 964 CB MET A 63 13.945 2.675 -5.403 1.00 0.00 C ATOM 965 CG MET A 63 15.200 2.512 -4.544 1.00 0.00 C ATOM 966 SD MET A 63 15.288 3.857 -3.332 1.00 0.00 S ATOM 967 CE MET A 63 13.917 3.329 -2.270 1.00 0.00 C ATOM 0 H MET A 63 12.903 2.905 -7.726 1.00 0.00 H new ATOM 0 HA MET A 63 14.837 1.041 -6.480 1.00 0.00 H new ATOM 0 HB2 MET A 63 13.972 3.630 -5.927 1.00 0.00 H new ATOM 0 HB3 MET A 63 13.057 2.683 -4.771 1.00 0.00 H new ATOM 0 HG2 MET A 63 15.180 1.549 -4.033 1.00 0.00 H new ATOM 0 HG3 MET A 63 16.088 2.520 -5.175 1.00 0.00 H new ATOM 0 HE1 MET A 63 14.098 3.664 -1.249 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.986 3.763 -2.635 1.00 0.00 H new ATOM 0 HE3 MET A 63 13.842 2.242 -2.287 1.00 0.00 H new ATOM 977 N ASP A 64 13.029 -0.108 -4.818 1.00 0.00 N ATOM 978 CA ASP A 64 12.043 -1.106 -4.306 1.00 0.00 C ATOM 979 C ASP A 64 11.265 -0.500 -3.137 1.00 0.00 C ATOM 980 O ASP A 64 11.810 0.224 -2.327 1.00 0.00 O ATOM 981 CB ASP A 64 12.790 -2.353 -3.831 1.00 0.00 C ATOM 982 CG ASP A 64 14.297 -2.142 -3.995 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.765 -2.208 -5.119 1.00 0.00 O ATOM 984 OD2 ASP A 64 14.956 -1.915 -2.993 1.00 0.00 O ATOM 0 H ASP A 64 13.849 0.032 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 64 11.348 -1.376 -5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.552 -2.556 -2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.470 -3.222 -4.405 1.00 0.00 H new ATOM 989 N GLY A 65 9.995 -0.785 -3.039 1.00 0.00 N ATOM 990 CA GLY A 65 9.192 -0.218 -1.918 1.00 0.00 C ATOM 991 C GLY A 65 9.611 -0.879 -0.602 1.00 0.00 C ATOM 992 O GLY A 65 8.946 -0.752 0.407 1.00 0.00 O ATOM 0 H GLY A 65 9.480 -1.384 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.341 0.860 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.130 -0.383 -2.098 1.00 0.00 H new ATOM 996 N LEU A 66 10.716 -1.575 -0.597 1.00 0.00 N ATOM 997 CA LEU A 66 11.170 -2.221 0.665 1.00 0.00 C ATOM 998 C LEU A 66 11.765 -1.142 1.568 1.00 0.00 C ATOM 999 O LEU A 66 11.310 -0.919 2.672 1.00 0.00 O ATOM 1000 CB LEU A 66 12.236 -3.278 0.357 1.00 0.00 C ATOM 1001 CG LEU A 66 11.949 -4.559 1.147 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.937 -5.647 0.728 1.00 0.00 C ATOM 1003 CD2 LEU A 66 12.101 -4.288 2.648 1.00 0.00 C ATOM 0 H LEU A 66 11.319 -1.723 -1.406 1.00 0.00 H new ATOM 0 HA LEU A 66 10.328 -2.707 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.247 -3.495 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.224 -2.896 0.615 1.00 0.00 H new ATOM 0 HG LEU A 66 10.930 -4.888 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.734 -6.559 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.829 -5.846 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.954 -5.314 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.896 -5.202 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.118 -3.956 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.397 -3.513 2.951 1.00 0.00 H new ATOM 1015 N GLU A 67 12.767 -0.454 1.094 1.00 0.00 N ATOM 1016 CA GLU A 67 13.375 0.630 1.911 1.00 0.00 C ATOM 1017 C GLU A 67 12.308 1.697 2.157 1.00 0.00 C ATOM 1018 O GLU A 67 12.459 2.569 2.991 1.00 0.00 O ATOM 1019 CB GLU A 67 14.554 1.241 1.149 1.00 0.00 C ATOM 1020 CG GLU A 67 15.581 1.785 2.145 1.00 0.00 C ATOM 1021 CD GLU A 67 16.542 0.667 2.550 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.097 -0.466 2.643 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.707 0.961 2.764 1.00 0.00 O ATOM 0 H GLU A 67 13.190 -0.597 0.177 1.00 0.00 H new ATOM 0 HA GLU A 67 13.736 0.235 2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.016 0.489 0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.204 2.042 0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.135 2.611 1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.075 2.181 3.026 1.00 0.00 H new ATOM 1030 N LEU A 68 11.224 1.621 1.433 1.00 0.00 N ATOM 1031 CA LEU A 68 10.125 2.611 1.602 1.00 0.00 C ATOM 1032 C LEU A 68 9.333 2.268 2.866 1.00 0.00 C ATOM 1033 O LEU A 68 8.989 3.131 3.649 1.00 0.00 O ATOM 1034 CB LEU A 68 9.206 2.542 0.379 1.00 0.00 C ATOM 1035 CG LEU A 68 8.095 3.592 0.482 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.702 4.997 0.469 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.148 3.434 -0.711 1.00 0.00 C ATOM 0 H LEU A 68 11.053 0.907 0.725 1.00 0.00 H new ATOM 0 HA LEU A 68 10.534 3.617 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.786 2.706 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.768 1.547 0.302 1.00 0.00 H new ATOM 0 HG LEU A 68 7.547 3.451 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.906 5.738 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.380 5.108 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.253 5.147 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.354 4.178 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.704 3.577 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.712 2.435 -0.699 1.00 0.00 H new ATOM 1049 N LEU A 69 9.041 1.011 3.070 1.00 0.00 N ATOM 1050 CA LEU A 69 8.272 0.614 4.283 1.00 0.00 C ATOM 1051 C LEU A 69 9.226 0.522 5.474 1.00 0.00 C ATOM 1052 O LEU A 69 8.846 0.735 6.608 1.00 0.00 O ATOM 1053 CB LEU A 69 7.567 -0.731 4.012 1.00 0.00 C ATOM 1054 CG LEU A 69 8.209 -1.902 4.794 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.839 -1.843 6.292 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.703 -3.236 4.217 1.00 0.00 C ATOM 0 H LEU A 69 9.302 0.244 2.450 1.00 0.00 H new ATOM 0 HA LEU A 69 7.510 1.357 4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.515 -0.648 4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.602 -0.948 2.944 1.00 0.00 H new ATOM 0 HG LEU A 69 9.292 -1.823 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.305 -2.678 6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.194 -0.905 6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.756 -1.904 6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.153 -4.064 4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.618 -3.285 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.979 -3.305 3.165 1.00 0.00 H new ATOM 1068 N LYS A 70 10.470 0.215 5.221 1.00 0.00 N ATOM 1069 CA LYS A 70 11.455 0.121 6.333 1.00 0.00 C ATOM 1070 C LYS A 70 11.655 1.511 6.936 1.00 0.00 C ATOM 1071 O LYS A 70 11.735 1.673 8.137 1.00 0.00 O ATOM 1072 CB LYS A 70 12.788 -0.401 5.791 1.00 0.00 C ATOM 1073 CG LYS A 70 13.629 -0.953 6.944 1.00 0.00 C ATOM 1074 CD LYS A 70 14.961 -1.472 6.400 1.00 0.00 C ATOM 1075 CE LYS A 70 15.884 -1.834 7.565 1.00 0.00 C ATOM 1076 NZ LYS A 70 17.136 -2.444 7.036 1.00 0.00 N ATOM 0 H LYS A 70 10.845 0.025 4.292 1.00 0.00 H new ATOM 0 HA LYS A 70 11.087 -0.563 7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.611 -1.181 5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.326 0.401 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.806 -0.174 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.092 -1.756 7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.793 -2.346 5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.430 -0.713 5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.119 -0.943 8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.383 -2.531 8.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.764 -2.690 7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.903 -3.303 6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.616 -1.765 6.412 1.00 0.00 H new ATOM 1090 N THR A 71 11.728 2.519 6.109 1.00 0.00 N ATOM 1091 CA THR A 71 11.912 3.900 6.633 1.00 0.00 C ATOM 1092 C THR A 71 10.619 4.355 7.310 1.00 0.00 C ATOM 1093 O THR A 71 10.639 4.991 8.345 1.00 0.00 O ATOM 1094 CB THR A 71 12.246 4.847 5.478 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.129 4.196 4.574 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.914 6.109 6.026 1.00 0.00 C ATOM 0 H THR A 71 11.668 2.444 5.094 1.00 0.00 H new ATOM 0 HA THR A 71 12.729 3.912 7.355 1.00 0.00 H new ATOM 0 HB THR A 71 11.329 5.122 4.957 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.622 3.863 3.804 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.151 6.782 5.202 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.236 6.608 6.719 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.831 5.838 6.548 1.00 0.00 H new ATOM 1104 N ILE A 72 9.492 4.026 6.738 1.00 0.00 N ATOM 1105 CA ILE A 72 8.199 4.433 7.354 1.00 0.00 C ATOM 1106 C ILE A 72 8.055 3.749 8.715 1.00 0.00 C ATOM 1107 O ILE A 72 7.438 4.272 9.622 1.00 0.00 O ATOM 1108 CB ILE A 72 7.041 4.009 6.446 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.018 4.894 5.196 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.719 4.162 7.201 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.070 4.290 4.156 1.00 0.00 C ATOM 0 H ILE A 72 9.412 3.494 5.872 1.00 0.00 H new ATOM 0 HA ILE A 72 8.179 5.515 7.481 1.00 0.00 H new ATOM 0 HB ILE A 72 7.175 2.968 6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.693 5.901 5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.022 4.980 4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.894 3.860 6.555 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.733 3.532 8.090 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.587 5.203 7.496 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.055 4.921 3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.414 3.292 3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.065 4.227 4.573 1.00 0.00 H new ATOM 1123 N ARG A 73 8.621 2.582 8.862 1.00 0.00 N ATOM 1124 CA ARG A 73 8.517 1.861 10.163 1.00 0.00 C ATOM 1125 C ARG A 73 9.692 2.254 11.061 1.00 0.00 C ATOM 1126 O ARG A 73 9.578 2.282 12.272 1.00 0.00 O ATOM 1127 CB ARG A 73 8.553 0.352 9.911 1.00 0.00 C ATOM 1128 CG ARG A 73 8.233 -0.393 11.209 1.00 0.00 C ATOM 1129 CD ARG A 73 8.308 -1.900 10.964 1.00 0.00 C ATOM 1130 NE ARG A 73 7.115 -2.561 11.564 1.00 0.00 N ATOM 1131 CZ ARG A 73 7.152 -2.976 12.800 1.00 0.00 C ATOM 1132 NH1 ARG A 73 8.063 -2.521 13.615 1.00 0.00 N ATOM 1133 NH2 ARG A 73 6.276 -3.848 13.222 1.00 0.00 N ATOM 0 H ARG A 73 9.151 2.097 8.138 1.00 0.00 H new ATOM 0 HA ARG A 73 7.581 2.128 10.653 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.831 0.085 9.139 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.536 0.058 9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.938 -0.105 11.989 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.238 -0.120 11.562 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.350 -2.104 9.894 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.220 -2.305 11.402 1.00 0.00 H new ATOM 0 HE ARG A 73 6.269 -2.689 11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.747 -1.840 13.286 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.091 -2.846 14.581 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.563 -4.204 12.585 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.305 -4.173 14.188 1.00 0.00 H new ATOM 1147 N ALA A 74 10.821 2.558 10.482 1.00 0.00 N ATOM 1148 CA ALA A 74 12.002 2.946 11.303 1.00 0.00 C ATOM 1149 C ALA A 74 11.582 3.983 12.347 1.00 0.00 C ATOM 1150 O ALA A 74 12.148 4.063 13.419 1.00 0.00 O ATOM 1151 CB ALA A 74 13.080 3.544 10.397 1.00 0.00 C ATOM 0 H ALA A 74 10.977 2.554 9.474 1.00 0.00 H new ATOM 0 HA ALA A 74 12.398 2.064 11.806 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.944 3.828 10.998 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.382 2.806 9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.684 4.425 9.893 1.00 0.00 H new ATOM 1157 N ASP A 75 10.595 4.778 12.041 1.00 0.00 N ATOM 1158 CA ASP A 75 10.142 5.810 13.015 1.00 0.00 C ATOM 1159 C ASP A 75 9.342 5.140 14.133 1.00 0.00 C ATOM 1160 O ASP A 75 8.713 4.119 13.936 1.00 0.00 O ATOM 1161 CB ASP A 75 9.257 6.831 12.300 1.00 0.00 C ATOM 1162 CG ASP A 75 9.980 8.177 12.233 1.00 0.00 C ATOM 1163 OD1 ASP A 75 10.451 8.626 13.266 1.00 0.00 O ATOM 1164 OD2 ASP A 75 10.052 8.736 11.152 1.00 0.00 O ATOM 0 H ASP A 75 10.083 4.758 11.159 1.00 0.00 H new ATOM 0 HA ASP A 75 11.010 6.314 13.440 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.022 6.483 11.294 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.310 6.941 12.829 1.00 0.00 H new ATOM 1169 N GLY A 76 9.360 5.708 15.309 1.00 0.00 N ATOM 1170 CA GLY A 76 8.601 5.106 16.441 1.00 0.00 C ATOM 1171 C GLY A 76 7.211 5.743 16.520 1.00 0.00 C ATOM 1172 O GLY A 76 6.271 5.145 17.004 1.00 0.00 O ATOM 0 H GLY A 76 9.868 6.563 15.534 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.512 4.029 16.301 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.138 5.262 17.377 1.00 0.00 H new ATOM 1176 N ALA A 77 7.074 6.952 16.047 1.00 0.00 N ATOM 1177 CA ALA A 77 5.745 7.626 16.094 1.00 0.00 C ATOM 1178 C ALA A 77 4.987 7.345 14.795 1.00 0.00 C ATOM 1179 O ALA A 77 3.773 7.294 14.772 1.00 0.00 O ATOM 1180 CB ALA A 77 5.943 9.135 16.253 1.00 0.00 C ATOM 0 H ALA A 77 7.825 7.502 15.630 1.00 0.00 H new ATOM 0 HA ALA A 77 5.173 7.244 16.940 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.971 9.628 16.287 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.484 9.335 17.178 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.514 9.518 15.408 1.00 0.00 H new ATOM 1186 N MET A 78 5.692 7.160 13.713 1.00 0.00 N ATOM 1187 CA MET A 78 5.011 6.880 12.419 1.00 0.00 C ATOM 1188 C MET A 78 4.833 5.371 12.256 1.00 0.00 C ATOM 1189 O MET A 78 4.399 4.893 11.227 1.00 0.00 O ATOM 1190 CB MET A 78 5.857 7.421 11.263 1.00 0.00 C ATOM 1191 CG MET A 78 6.292 8.854 11.571 1.00 0.00 C ATOM 1192 SD MET A 78 6.990 9.604 10.078 1.00 0.00 S ATOM 1193 CE MET A 78 6.698 11.331 10.532 1.00 0.00 C ATOM 0 H MET A 78 6.711 7.191 13.670 1.00 0.00 H new ATOM 0 HA MET A 78 4.036 7.367 12.411 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.732 6.789 11.113 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.283 7.396 10.337 1.00 0.00 H new ATOM 0 HG2 MET A 78 5.440 9.437 11.920 1.00 0.00 H new ATOM 0 HG3 MET A 78 7.031 8.857 12.373 1.00 0.00 H new ATOM 0 HE1 MET A 78 7.060 11.982 9.736 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.630 11.494 10.677 1.00 0.00 H new ATOM 0 HE3 MET A 78 7.228 11.559 11.457 1.00 0.00 H new ATOM 1203 N SER A 79 5.163 4.615 13.268 1.00 0.00 N ATOM 1204 CA SER A 79 5.009 3.136 13.174 1.00 0.00 C ATOM 1205 C SER A 79 3.525 2.780 13.264 1.00 0.00 C ATOM 1206 O SER A 79 3.154 1.765 13.820 1.00 0.00 O ATOM 1207 CB SER A 79 5.765 2.470 14.325 1.00 0.00 C ATOM 1208 OG SER A 79 4.868 2.232 15.402 1.00 0.00 O ATOM 0 H SER A 79 5.532 4.958 14.155 1.00 0.00 H new ATOM 0 HA SER A 79 5.414 2.784 12.225 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.206 1.531 13.990 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.585 3.108 14.654 1.00 0.00 H new ATOM 0 HG SER A 79 4.235 1.527 15.151 1.00 0.00 H new ATOM 1214 N ALA A 80 2.676 3.613 12.720 1.00 0.00 N ATOM 1215 CA ALA A 80 1.211 3.338 12.765 1.00 0.00 C ATOM 1216 C ALA A 80 0.602 3.618 11.389 1.00 0.00 C ATOM 1217 O ALA A 80 -0.587 3.842 11.266 1.00 0.00 O ATOM 1218 CB ALA A 80 0.555 4.246 13.809 1.00 0.00 C ATOM 0 H ALA A 80 2.937 4.477 12.244 1.00 0.00 H new ATOM 0 HA ALA A 80 1.042 2.295 13.034 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.516 4.046 13.843 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.992 4.050 14.788 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.721 5.289 13.540 1.00 0.00 H new ATOM 1224 N LEU A 81 1.411 3.600 10.356 1.00 0.00 N ATOM 1225 CA LEU A 81 0.893 3.857 8.977 1.00 0.00 C ATOM 1226 C LEU A 81 0.983 2.547 8.153 1.00 0.00 C ATOM 1227 O LEU A 81 2.045 2.219 7.661 1.00 0.00 O ATOM 1228 CB LEU A 81 1.745 4.946 8.309 1.00 0.00 C ATOM 1229 CG LEU A 81 0.841 5.883 7.495 1.00 0.00 C ATOM 1230 CD1 LEU A 81 1.677 7.019 6.907 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.182 5.099 6.354 1.00 0.00 C ATOM 0 H LEU A 81 2.413 3.417 10.411 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.144 4.190 9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.286 5.514 9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.492 4.490 7.659 1.00 0.00 H new ATOM 0 HG LEU A 81 0.071 6.295 8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.034 7.683 6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.147 7.581 7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.448 6.605 6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.459 5.766 5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.953 4.685 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.417 4.288 6.768 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.112 1.810 8.034 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.110 0.532 7.286 1.00 0.00 C ATOM 1245 C PRO A 82 0.296 0.671 5.812 1.00 0.00 C ATOM 1246 O PRO A 82 -0.382 1.291 5.012 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.549 0.006 7.394 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.346 0.989 8.279 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.425 2.163 8.622 1.00 0.00 C ATOM 0 HA PRO A 82 0.634 -0.142 7.711 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.002 -0.072 6.406 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.559 -0.993 7.829 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.234 1.341 7.754 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.688 0.494 9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.805 3.096 8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.349 2.302 9.700 1.00 0.00 H new ATOM 1257 N VAL A 83 1.372 0.018 5.447 1.00 0.00 N ATOM 1258 CA VAL A 83 1.816 0.005 4.025 1.00 0.00 C ATOM 1259 C VAL A 83 1.472 -1.365 3.477 1.00 0.00 C ATOM 1260 O VAL A 83 1.982 -2.362 3.946 1.00 0.00 O ATOM 1261 CB VAL A 83 3.345 0.205 3.909 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.951 -0.731 2.832 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.642 1.635 3.494 1.00 0.00 C ATOM 0 H VAL A 83 1.966 -0.512 6.084 1.00 0.00 H new ATOM 0 HA VAL A 83 1.327 0.812 3.479 1.00 0.00 H new ATOM 0 HB VAL A 83 3.783 -0.022 4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.027 -0.568 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.755 -1.769 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.497 -0.514 1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.720 1.774 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.176 1.838 2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.243 2.321 4.241 1.00 0.00 H new ATOM 1273 N LEU A 84 0.639 -1.437 2.484 1.00 0.00 N ATOM 1274 CA LEU A 84 0.328 -2.768 1.916 1.00 0.00 C ATOM 1275 C LEU A 84 1.195 -2.937 0.683 1.00 0.00 C ATOM 1276 O LEU A 84 1.002 -2.286 -0.324 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.151 -2.862 1.542 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.661 -4.331 1.568 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.632 -5.320 0.989 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.004 -4.785 3.000 1.00 0.00 C ATOM 0 H LEU A 84 0.167 -0.645 2.047 1.00 0.00 H new ATOM 0 HA LEU A 84 0.529 -3.553 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.740 -2.260 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.302 -2.442 0.547 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.556 -4.340 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.036 -6.331 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.417 -5.057 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.287 -5.273 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.357 -5.816 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.114 -4.718 3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.784 -4.142 3.408 1.00 0.00 H new ATOM 1292 N MET A 85 2.164 -3.793 0.761 1.00 0.00 N ATOM 1293 CA MET A 85 3.060 -3.987 -0.396 1.00 0.00 C ATOM 1294 C MET A 85 2.414 -4.970 -1.394 1.00 0.00 C ATOM 1295 O MET A 85 2.412 -6.171 -1.176 1.00 0.00 O ATOM 1296 CB MET A 85 4.394 -4.552 0.107 1.00 0.00 C ATOM 1297 CG MET A 85 5.476 -4.379 -0.962 1.00 0.00 C ATOM 1298 SD MET A 85 6.671 -3.132 -0.412 1.00 0.00 S ATOM 1299 CE MET A 85 5.561 -1.705 -0.470 1.00 0.00 C ATOM 0 H MET A 85 2.374 -4.367 1.578 1.00 0.00 H new ATOM 0 HA MET A 85 3.230 -3.036 -0.901 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.692 -4.041 1.023 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.281 -5.608 0.353 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.981 -5.328 -1.141 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.025 -4.075 -1.906 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.149 -0.789 -0.534 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.914 -1.783 -1.344 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.951 -1.682 0.433 1.00 0.00 H new ATOM 1309 N VAL A 86 1.863 -4.480 -2.484 1.00 0.00 N ATOM 1310 CA VAL A 86 1.235 -5.398 -3.477 1.00 0.00 C ATOM 1311 C VAL A 86 2.224 -5.677 -4.604 1.00 0.00 C ATOM 1312 O VAL A 86 3.018 -4.834 -4.970 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.048 -4.770 -4.046 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.672 -3.823 -3.025 1.00 0.00 C ATOM 1315 CG2 VAL A 86 0.242 -3.991 -5.325 1.00 0.00 C ATOM 0 H VAL A 86 1.824 -3.489 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 86 0.973 -6.334 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.739 -5.582 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.579 -3.386 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.919 -4.376 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.036 -3.030 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.683 -3.558 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.955 -3.194 -5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.662 -4.663 -6.073 1.00 0.00 H new ATOM 1325 N THR A 87 2.189 -6.857 -5.160 1.00 0.00 N ATOM 1326 CA THR A 87 3.140 -7.178 -6.264 1.00 0.00 C ATOM 1327 C THR A 87 2.510 -8.193 -7.219 1.00 0.00 C ATOM 1328 O THR A 87 1.632 -8.948 -6.851 1.00 0.00 O ATOM 1329 CB THR A 87 4.427 -7.761 -5.675 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.164 -8.409 -6.702 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.079 -8.768 -4.579 1.00 0.00 C ATOM 0 H THR A 87 1.549 -7.608 -4.901 1.00 0.00 H new ATOM 0 HA THR A 87 3.369 -6.266 -6.814 1.00 0.00 H new ATOM 0 HB THR A 87 5.028 -6.958 -5.248 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.989 -8.781 -6.327 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.996 -9.182 -4.161 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.514 -8.268 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.478 -9.573 -5.002 1.00 0.00 H new ATOM 1339 N ALA A 88 2.960 -8.224 -8.445 1.00 0.00 N ATOM 1340 CA ALA A 88 2.396 -9.195 -9.422 1.00 0.00 C ATOM 1341 C ALA A 88 3.171 -10.509 -9.327 1.00 0.00 C ATOM 1342 O ALA A 88 2.599 -11.572 -9.198 1.00 0.00 O ATOM 1343 CB ALA A 88 2.523 -8.630 -10.839 1.00 0.00 C ATOM 0 H ALA A 88 3.694 -7.618 -8.811 1.00 0.00 H new ATOM 0 HA ALA A 88 1.344 -9.371 -9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.110 -9.342 -11.553 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.976 -7.690 -10.906 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.574 -8.455 -11.068 1.00 0.00 H new ATOM 1349 N GLU A 89 4.473 -10.441 -9.379 1.00 0.00 N ATOM 1350 CA GLU A 89 5.290 -11.682 -9.284 1.00 0.00 C ATOM 1351 C GLU A 89 5.685 -11.910 -7.824 1.00 0.00 C ATOM 1352 O GLU A 89 6.851 -11.968 -7.488 1.00 0.00 O ATOM 1353 CB GLU A 89 6.551 -11.530 -10.137 1.00 0.00 C ATOM 1354 CG GLU A 89 6.165 -11.103 -11.554 1.00 0.00 C ATOM 1355 CD GLU A 89 7.431 -10.851 -12.375 1.00 0.00 C ATOM 1356 OE1 GLU A 89 8.318 -10.184 -11.869 1.00 0.00 O ATOM 1357 OE2 GLU A 89 7.493 -11.331 -13.495 1.00 0.00 O ATOM 0 H GLU A 89 5.006 -9.578 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 89 4.711 -12.532 -9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.216 -10.790 -9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.098 -12.473 -10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.561 -11.877 -12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.556 -10.200 -11.520 1.00 0.00 H new ATOM 1364 N ALA A 90 4.720 -12.034 -6.953 1.00 0.00 N ATOM 1365 CA ALA A 90 5.034 -12.252 -5.512 1.00 0.00 C ATOM 1366 C ALA A 90 5.967 -13.459 -5.363 1.00 0.00 C ATOM 1367 O ALA A 90 5.533 -14.573 -5.144 1.00 0.00 O ATOM 1368 CB ALA A 90 3.735 -12.496 -4.741 1.00 0.00 C ATOM 0 H ALA A 90 3.726 -11.994 -7.178 1.00 0.00 H new ATOM 0 HA ALA A 90 5.531 -11.369 -5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.962 -12.656 -3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.082 -11.629 -4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.234 -13.377 -5.142 1.00 0.00 H new ATOM 1374 N LYS A 91 7.250 -13.246 -5.474 1.00 0.00 N ATOM 1375 CA LYS A 91 8.207 -14.380 -5.332 1.00 0.00 C ATOM 1376 C LYS A 91 8.250 -14.813 -3.867 1.00 0.00 C ATOM 1377 O LYS A 91 8.233 -13.992 -2.974 1.00 0.00 O ATOM 1378 CB LYS A 91 9.603 -13.932 -5.774 1.00 0.00 C ATOM 1379 CG LYS A 91 10.350 -15.115 -6.393 1.00 0.00 C ATOM 1380 CD LYS A 91 11.842 -14.789 -6.481 1.00 0.00 C ATOM 1381 CE LYS A 91 12.505 -15.700 -7.517 1.00 0.00 C ATOM 1382 NZ LYS A 91 12.354 -17.123 -7.098 1.00 0.00 N ATOM 0 H LYS A 91 7.676 -12.337 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 91 7.884 -15.214 -5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.523 -13.121 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.159 -13.545 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.198 -16.010 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.955 -15.329 -7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.981 -13.744 -6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.313 -14.925 -5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.049 -15.548 -8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.561 -15.449 -7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.019 -17.715 -7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.557 -17.209 -6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.381 -17.438 -7.285 1.00 0.00 H new ATOM 1396 N LYS A 92 8.295 -16.096 -3.615 1.00 0.00 N ATOM 1397 CA LYS A 92 8.330 -16.591 -2.205 1.00 0.00 C ATOM 1398 C LYS A 92 9.278 -15.726 -1.370 1.00 0.00 C ATOM 1399 O LYS A 92 9.111 -15.582 -0.175 1.00 0.00 O ATOM 1400 CB LYS A 92 8.818 -18.042 -2.188 1.00 0.00 C ATOM 1401 CG LYS A 92 8.563 -18.654 -0.809 1.00 0.00 C ATOM 1402 CD LYS A 92 7.177 -19.302 -0.784 1.00 0.00 C ATOM 1403 CE LYS A 92 7.273 -20.738 -1.303 1.00 0.00 C ATOM 1404 NZ LYS A 92 7.548 -21.662 -0.166 1.00 0.00 N ATOM 0 H LYS A 92 8.309 -16.825 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 92 7.327 -16.534 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.301 -18.619 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.882 -18.081 -2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.327 -19.397 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.630 -17.884 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.780 -19.297 0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.485 -18.728 -1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.343 -21.020 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.066 -20.814 -2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.613 -22.638 -0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.446 -21.397 0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.777 -21.596 0.529 1.00 0.00 H new ATOM 1418 N GLU A 93 10.270 -15.149 -1.988 1.00 0.00 N ATOM 1419 CA GLU A 93 11.223 -14.300 -1.234 1.00 0.00 C ATOM 1420 C GLU A 93 10.710 -12.857 -1.185 1.00 0.00 C ATOM 1421 O GLU A 93 10.989 -12.122 -0.258 1.00 0.00 O ATOM 1422 CB GLU A 93 12.591 -14.334 -1.919 1.00 0.00 C ATOM 1423 CG GLU A 93 13.647 -13.744 -0.982 1.00 0.00 C ATOM 1424 CD GLU A 93 14.089 -14.808 0.025 1.00 0.00 C ATOM 1425 OE1 GLU A 93 13.442 -15.840 0.089 1.00 0.00 O ATOM 1426 OE2 GLU A 93 15.065 -14.571 0.717 1.00 0.00 O ATOM 0 H GLU A 93 10.459 -15.231 -2.987 1.00 0.00 H new ATOM 0 HA GLU A 93 11.315 -14.682 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.853 -15.359 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.558 -13.767 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.504 -13.395 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.241 -12.879 -0.458 1.00 0.00 H new ATOM 1433 N ASN A 94 9.974 -12.439 -2.179 1.00 0.00 N ATOM 1434 CA ASN A 94 9.458 -11.039 -2.190 1.00 0.00 C ATOM 1435 C ASN A 94 8.405 -10.852 -1.092 1.00 0.00 C ATOM 1436 O ASN A 94 8.236 -9.769 -0.569 1.00 0.00 O ATOM 1437 CB ASN A 94 8.836 -10.730 -3.554 1.00 0.00 C ATOM 1438 CG ASN A 94 9.348 -9.378 -4.059 1.00 0.00 C ATOM 1439 OD1 ASN A 94 10.526 -9.092 -3.979 1.00 0.00 O ATOM 1440 ND2 ASN A 94 8.505 -8.530 -4.581 1.00 0.00 N ATOM 0 H ASN A 94 9.707 -13.006 -2.984 1.00 0.00 H new ATOM 0 HA ASN A 94 10.288 -10.357 -2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.089 -11.515 -4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.749 -10.711 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.835 -7.627 -4.922 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.516 -8.770 -4.648 1.00 0.00 H new ATOM 1447 N ILE A 95 7.697 -11.886 -0.728 1.00 0.00 N ATOM 1448 CA ILE A 95 6.675 -11.726 0.347 1.00 0.00 C ATOM 1449 C ILE A 95 7.391 -11.459 1.667 1.00 0.00 C ATOM 1450 O ILE A 95 7.187 -10.445 2.304 1.00 0.00 O ATOM 1451 CB ILE A 95 5.836 -13.003 0.491 1.00 0.00 C ATOM 1452 CG1 ILE A 95 4.801 -13.097 -0.641 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.097 -12.963 1.829 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.469 -13.520 -1.951 1.00 0.00 C ATOM 0 H ILE A 95 7.779 -12.823 -1.122 1.00 0.00 H new ATOM 0 HA ILE A 95 6.016 -10.897 0.088 1.00 0.00 H new ATOM 0 HB ILE A 95 6.498 -13.868 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.026 -13.816 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.310 -12.133 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.498 -13.867 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.820 -12.904 2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.446 -12.090 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.718 -13.580 -2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.226 -12.786 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.939 -14.495 -1.822 1.00 0.00 H new ATOM 1466 N ILE A 96 8.235 -12.362 2.081 1.00 0.00 N ATOM 1467 CA ILE A 96 8.967 -12.160 3.356 1.00 0.00 C ATOM 1468 C ILE A 96 9.870 -10.936 3.233 1.00 0.00 C ATOM 1469 O ILE A 96 10.280 -10.364 4.219 1.00 0.00 O ATOM 1470 CB ILE A 96 9.820 -13.394 3.660 1.00 0.00 C ATOM 1471 CG1 ILE A 96 8.906 -14.604 3.866 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.636 -13.152 4.931 1.00 0.00 C ATOM 1473 CD1 ILE A 96 9.735 -15.887 3.792 1.00 0.00 C ATOM 0 H ILE A 96 8.448 -13.230 1.590 1.00 0.00 H new ATOM 0 HA ILE A 96 8.252 -12.007 4.164 1.00 0.00 H new ATOM 0 HB ILE A 96 10.496 -13.583 2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.407 -14.536 4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.126 -14.618 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.243 -14.031 5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.286 -12.289 4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.961 -12.963 5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.085 -16.749 3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.213 -15.955 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.499 -15.872 4.570 1.00 0.00 H new ATOM 1485 N ALA A 97 10.180 -10.523 2.032 1.00 0.00 N ATOM 1486 CA ALA A 97 11.053 -9.327 1.861 1.00 0.00 C ATOM 1487 C ALA A 97 10.357 -8.109 2.466 1.00 0.00 C ATOM 1488 O ALA A 97 10.750 -7.611 3.501 1.00 0.00 O ATOM 1489 CB ALA A 97 11.322 -9.089 0.374 1.00 0.00 C ATOM 0 H ALA A 97 9.867 -10.961 1.166 1.00 0.00 H new ATOM 0 HA ALA A 97 12.004 -9.492 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.961 -8.214 0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.820 -9.961 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.378 -8.922 -0.144 1.00 0.00 H new ATOM 1495 N ALA A 98 9.317 -7.630 1.844 1.00 0.00 N ATOM 1496 CA ALA A 98 8.603 -6.456 2.419 1.00 0.00 C ATOM 1497 C ALA A 98 8.303 -6.752 3.876 1.00 0.00 C ATOM 1498 O ALA A 98 8.481 -5.922 4.745 1.00 0.00 O ATOM 1499 CB ALA A 98 7.278 -6.227 1.694 1.00 0.00 C ATOM 0 H ALA A 98 8.933 -7.995 0.972 1.00 0.00 H new ATOM 0 HA ALA A 98 9.227 -5.569 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.770 -5.365 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.469 -6.042 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.648 -7.110 1.800 1.00 0.00 H new ATOM 1505 N ALA A 99 7.833 -7.935 4.148 1.00 0.00 N ATOM 1506 CA ALA A 99 7.504 -8.285 5.539 1.00 0.00 C ATOM 1507 C ALA A 99 8.788 -8.325 6.376 1.00 0.00 C ATOM 1508 O ALA A 99 8.754 -8.142 7.576 1.00 0.00 O ATOM 1509 CB ALA A 99 6.826 -9.652 5.579 1.00 0.00 C ATOM 0 H ALA A 99 7.665 -8.670 3.461 1.00 0.00 H new ATOM 0 HA ALA A 99 6.827 -7.535 5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.584 -9.908 6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.911 -9.622 4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.499 -10.404 5.167 1.00 0.00 H new ATOM 1515 N GLN A 100 9.928 -8.548 5.762 1.00 0.00 N ATOM 1516 CA GLN A 100 11.186 -8.564 6.562 1.00 0.00 C ATOM 1517 C GLN A 100 11.209 -7.262 7.343 1.00 0.00 C ATOM 1518 O GLN A 100 11.690 -7.182 8.456 1.00 0.00 O ATOM 1519 CB GLN A 100 12.415 -8.641 5.647 1.00 0.00 C ATOM 1520 CG GLN A 100 13.483 -9.527 6.294 1.00 0.00 C ATOM 1521 CD GLN A 100 14.687 -9.640 5.358 1.00 0.00 C ATOM 1522 OE1 GLN A 100 15.112 -8.663 4.773 1.00 0.00 O ATOM 1523 NE2 GLN A 100 15.261 -10.801 5.189 1.00 0.00 N ATOM 0 H GLN A 100 10.037 -8.716 4.762 1.00 0.00 H new ATOM 0 HA GLN A 100 11.215 -9.433 7.219 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.132 -9.046 4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.814 -7.642 5.472 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.791 -9.104 7.250 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.074 -10.516 6.499 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.906 -11.622 5.679 1.00 0.00 H new ATOM 0 HE22 GLN A 100 16.065 -10.887 4.567 1.00 0.00 H new ATOM 1532 N ALA A 101 10.630 -6.250 6.763 1.00 0.00 N ATOM 1533 CA ALA A 101 10.535 -4.939 7.445 1.00 0.00 C ATOM 1534 C ALA A 101 9.220 -4.956 8.219 1.00 0.00 C ATOM 1535 O ALA A 101 9.033 -4.250 9.190 1.00 0.00 O ATOM 1536 CB ALA A 101 10.518 -3.824 6.400 1.00 0.00 C ATOM 0 H ALA A 101 10.214 -6.280 5.832 1.00 0.00 H new ATOM 0 HA ALA A 101 11.380 -4.765 8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.448 -2.858 6.900 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.435 -3.863 5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.659 -3.955 5.742 1.00 0.00 H new ATOM 1542 N GLY A 102 8.325 -5.809 7.794 1.00 0.00 N ATOM 1543 CA GLY A 102 7.020 -5.963 8.477 1.00 0.00 C ATOM 1544 C GLY A 102 6.172 -4.712 8.339 1.00 0.00 C ATOM 1545 O GLY A 102 6.047 -3.946 9.274 1.00 0.00 O ATOM 0 H GLY A 102 8.453 -6.415 6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.486 -6.815 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.183 -6.179 9.533 1.00 0.00 H new ATOM 1549 N ALA A 103 5.560 -4.484 7.203 1.00 0.00 N ATOM 1550 CA ALA A 103 4.722 -3.264 7.117 1.00 0.00 C ATOM 1551 C ALA A 103 3.301 -3.589 7.548 1.00 0.00 C ATOM 1552 O ALA A 103 3.032 -3.943 8.679 1.00 0.00 O ATOM 1553 CB ALA A 103 4.658 -2.853 5.647 1.00 0.00 C ATOM 0 H ALA A 103 5.604 -5.067 6.367 1.00 0.00 H new ATOM 0 HA ALA A 103 5.141 -2.482 7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.047 -1.956 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.665 -2.650 5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.216 -3.660 5.062 1.00 0.00 H new ATOM 1559 N SER A 104 2.413 -3.543 6.613 1.00 0.00 N ATOM 1560 CA SER A 104 1.001 -3.922 6.874 1.00 0.00 C ATOM 1561 C SER A 104 0.844 -5.401 6.563 1.00 0.00 C ATOM 1562 O SER A 104 0.302 -6.182 7.319 1.00 0.00 O ATOM 1563 CB SER A 104 0.063 -3.107 5.994 1.00 0.00 C ATOM 1564 OG SER A 104 -0.173 -3.820 4.795 1.00 0.00 O ATOM 0 H SER A 104 2.605 -3.253 5.654 1.00 0.00 H new ATOM 0 HA SER A 104 0.749 -3.723 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.877 -2.922 6.514 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.502 -2.134 5.774 1.00 0.00 H new ATOM 0 HG SER A 104 -0.685 -3.259 4.176 1.00 0.00 H new ATOM 1570 N GLY A 105 1.310 -5.753 5.393 1.00 0.00 N ATOM 1571 CA GLY A 105 1.215 -7.152 4.895 1.00 0.00 C ATOM 1572 C GLY A 105 1.530 -7.155 3.397 1.00 0.00 C ATOM 1573 O GLY A 105 2.075 -6.202 2.874 1.00 0.00 O ATOM 0 H GLY A 105 1.765 -5.108 4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.915 -7.793 5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.216 -7.551 5.073 1.00 0.00 H new ATOM 1577 N TYR A 106 1.190 -8.208 2.700 1.00 0.00 N ATOM 1578 CA TYR A 106 1.466 -8.255 1.231 1.00 0.00 C ATOM 1579 C TYR A 106 0.283 -8.886 0.512 1.00 0.00 C ATOM 1580 O TYR A 106 -0.407 -9.731 1.047 1.00 0.00 O ATOM 1581 CB TYR A 106 2.720 -9.090 0.951 1.00 0.00 C ATOM 1582 CG TYR A 106 2.386 -10.199 -0.030 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.362 -9.947 -1.411 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.105 -11.487 0.443 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.058 -10.979 -2.304 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.800 -12.516 -0.452 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.778 -12.264 -1.824 1.00 0.00 C ATOM 1588 OH TYR A 106 1.482 -13.285 -2.703 1.00 0.00 O ATOM 0 H TYR A 106 0.734 -9.036 3.082 1.00 0.00 H new ATOM 0 HA TYR A 106 1.624 -7.238 0.873 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.508 -8.456 0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.101 -9.515 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.578 -8.957 -1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.124 -11.686 1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.039 -10.784 -3.366 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.581 -13.507 -0.081 1.00 0.00 H new ATOM 0 HH TYR A 106 1.315 -14.110 -2.202 1.00 0.00 H new ATOM 1598 N VAL A 107 0.050 -8.485 -0.703 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.084 -9.064 -1.474 1.00 0.00 C ATOM 1600 C VAL A 107 -0.667 -9.194 -2.937 1.00 0.00 C ATOM 1601 O VAL A 107 -0.253 -8.238 -3.562 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.311 -8.153 -1.359 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -1.971 -6.757 -1.878 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.459 -8.735 -2.186 1.00 0.00 C ATOM 0 H VAL A 107 0.596 -7.780 -1.198 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.340 -10.045 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.610 -8.086 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.847 -6.114 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.156 -6.338 -1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.667 -6.821 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.332 -8.087 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.156 -8.805 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.709 -9.728 -1.813 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.763 -10.370 -3.488 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.359 -10.546 -4.906 1.00 0.00 C ATOM 1616 C VAL A 108 -1.399 -9.895 -5.824 1.00 0.00 C ATOM 1617 O VAL A 108 -2.536 -10.319 -5.888 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.255 -12.036 -5.242 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.586 -12.730 -4.940 1.00 0.00 C ATOM 1620 CG2 VAL A 108 0.074 -12.199 -6.727 1.00 0.00 C ATOM 0 H VAL A 108 -1.102 -11.211 -3.021 1.00 0.00 H new ATOM 0 HA VAL A 108 0.612 -10.073 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 108 0.532 -12.487 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.506 -13.790 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.825 -12.615 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.376 -12.280 -5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.149 -13.259 -6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.715 -11.745 -7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.023 -11.709 -6.945 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.020 -8.872 -6.539 1.00 0.00 N ATOM 1631 CA LYS A 109 -1.985 -8.200 -7.456 1.00 0.00 C ATOM 1632 C LYS A 109 -1.950 -8.916 -8.819 1.00 0.00 C ATOM 1633 O LYS A 109 -0.983 -9.590 -9.113 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.570 -6.722 -7.596 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.979 -6.435 -8.987 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.452 -5.000 -9.024 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.517 -4.469 -10.459 1.00 0.00 C ATOM 1638 NZ LYS A 109 0.050 -3.092 -10.505 1.00 0.00 N ATOM 0 H LYS A 109 -0.082 -8.471 -6.528 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.001 -8.247 -7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.436 -6.082 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.836 -6.474 -6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.174 -7.136 -9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.740 -6.575 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.044 -4.367 -8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.575 -4.969 -8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.040 -5.126 -11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.549 -4.461 -10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.619 -2.979 -11.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.724 -2.398 -10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.652 -2.936 -9.671 1.00 0.00 H new ATOM 1652 N PRO A 110 -2.968 -8.734 -9.639 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.170 -7.922 -9.329 1.00 0.00 C ATOM 1654 C PRO A 110 -5.071 -8.659 -8.332 1.00 0.00 C ATOM 1655 O PRO A 110 -5.380 -9.821 -8.510 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.910 -7.800 -10.669 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.102 -8.591 -11.728 1.00 0.00 C ATOM 1658 CD PRO A 110 -2.961 -9.311 -10.994 1.00 0.00 C ATOM 0 HA PRO A 110 -3.907 -6.959 -8.891 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.921 -8.197 -10.585 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.002 -6.754 -10.961 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.742 -9.309 -12.241 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.705 -7.919 -12.488 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.125 -10.388 -10.967 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.004 -9.146 -11.490 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.493 -7.994 -7.289 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.374 -8.661 -6.288 1.00 0.00 C ATOM 1668 C PHE A 111 -7.815 -8.248 -6.506 1.00 0.00 C ATOM 1669 O PHE A 111 -8.112 -7.167 -6.973 1.00 0.00 O ATOM 1670 CB PHE A 111 -5.993 -8.238 -4.870 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.662 -6.768 -4.869 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.689 -5.815 -4.908 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.329 -6.359 -4.868 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.371 -4.454 -4.951 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.013 -5.000 -4.902 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.033 -4.046 -4.948 1.00 0.00 C ATOM 0 H PHE A 111 -5.266 -7.020 -7.088 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.254 -9.738 -6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.815 -8.439 -4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.138 -8.817 -4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.722 -6.131 -4.905 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.539 -7.095 -4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.159 -3.717 -4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.980 -4.686 -4.893 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.789 -2.995 -4.981 1.00 0.00 H new ATOM 1686 N THR A 112 -8.709 -9.089 -6.108 1.00 0.00 N ATOM 1687 CA THR A 112 -10.146 -8.751 -6.215 1.00 0.00 C ATOM 1688 C THR A 112 -10.521 -8.061 -4.909 1.00 0.00 C ATOM 1689 O THR A 112 -9.935 -8.329 -3.879 1.00 0.00 O ATOM 1690 CB THR A 112 -10.976 -10.025 -6.388 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.196 -11.010 -7.052 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.223 -9.715 -7.216 1.00 0.00 C ATOM 0 H THR A 112 -8.508 -10.006 -5.709 1.00 0.00 H new ATOM 0 HA THR A 112 -10.338 -8.110 -7.075 1.00 0.00 H new ATOM 0 HB THR A 112 -11.277 -10.399 -5.409 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.726 -11.827 -7.162 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.813 -10.623 -7.339 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.820 -8.960 -6.705 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.926 -9.341 -8.196 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.458 -7.163 -4.927 1.00 0.00 N ATOM 1701 CA ALA A 113 -11.811 -6.465 -3.661 1.00 0.00 C ATOM 1702 C ALA A 113 -12.011 -7.491 -2.553 1.00 0.00 C ATOM 1703 O ALA A 113 -11.854 -7.187 -1.391 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.090 -5.649 -3.851 1.00 0.00 C ATOM 0 H ALA A 113 -11.991 -6.882 -5.750 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.001 -5.790 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.340 -5.142 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.936 -4.909 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.907 -6.313 -4.133 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.334 -8.704 -2.895 1.00 0.00 N ATOM 1711 CA ALA A 114 -12.513 -9.732 -1.839 1.00 0.00 C ATOM 1712 C ALA A 114 -11.137 -10.155 -1.335 1.00 0.00 C ATOM 1713 O ALA A 114 -10.952 -10.437 -0.169 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.254 -10.945 -2.406 1.00 0.00 C ATOM 0 H ALA A 114 -12.481 -9.026 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.101 -9.320 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.380 -11.693 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.233 -10.635 -2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.678 -11.372 -3.227 1.00 0.00 H new ATOM 1720 N THR A 115 -10.164 -10.184 -2.203 1.00 0.00 N ATOM 1721 CA THR A 115 -8.802 -10.569 -1.757 1.00 0.00 C ATOM 1722 C THR A 115 -8.206 -9.410 -0.960 1.00 0.00 C ATOM 1723 O THR A 115 -7.912 -9.560 0.210 1.00 0.00 O ATOM 1724 CB THR A 115 -7.926 -10.892 -2.962 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.633 -10.577 -4.148 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.578 -12.381 -2.956 1.00 0.00 C ATOM 0 H THR A 115 -10.254 -9.959 -3.194 1.00 0.00 H new ATOM 0 HA THR A 115 -8.854 -11.458 -1.129 1.00 0.00 H new ATOM 0 HB THR A 115 -7.008 -10.307 -2.915 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.815 -11.400 -4.649 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.952 -12.612 -3.818 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.040 -12.625 -2.040 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.494 -12.969 -3.006 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.032 -8.245 -1.553 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.469 -7.127 -0.752 1.00 0.00 C ATOM 1736 C LEU A 116 -8.281 -7.008 0.548 1.00 0.00 C ATOM 1737 O LEU A 116 -7.744 -6.715 1.597 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.573 -5.801 -1.529 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.211 -5.080 -1.638 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.453 -3.626 -2.036 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.462 -5.078 -0.302 1.00 0.00 C ATOM 0 H LEU A 116 -8.251 -8.033 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.419 -7.327 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.959 -5.997 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.290 -5.147 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.612 -5.609 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.498 -3.107 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.966 -3.592 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.068 -3.139 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.509 -4.562 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.062 -4.566 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.281 -6.105 0.015 1.00 0.00 H new ATOM 1753 N GLU A 117 -9.577 -7.229 0.484 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.416 -7.123 1.710 1.00 0.00 C ATOM 1755 C GLU A 117 -10.028 -8.216 2.706 1.00 0.00 C ATOM 1756 O GLU A 117 -9.682 -7.943 3.839 1.00 0.00 O ATOM 1757 CB GLU A 117 -11.895 -7.281 1.334 1.00 0.00 C ATOM 1758 CG GLU A 117 -12.758 -7.435 2.593 1.00 0.00 C ATOM 1759 CD GLU A 117 -12.396 -6.353 3.610 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -12.976 -5.281 3.537 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -11.548 -6.614 4.446 1.00 0.00 O ATOM 0 H GLU A 117 -10.083 -7.477 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.255 -6.147 2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.226 -6.413 0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.021 -8.152 0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.814 -7.361 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.606 -8.422 3.030 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.097 -9.451 2.289 1.00 0.00 N ATOM 1769 CA GLU A 118 -9.748 -10.583 3.199 1.00 0.00 C ATOM 1770 C GLU A 118 -8.492 -10.241 4.001 1.00 0.00 C ATOM 1771 O GLU A 118 -8.351 -10.622 5.146 1.00 0.00 O ATOM 1772 CB GLU A 118 -9.493 -11.842 2.368 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.737 -12.733 2.398 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.669 -13.744 1.253 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -10.581 -13.313 0.114 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -10.709 -14.930 1.533 1.00 0.00 O ATOM 0 H GLU A 118 -10.382 -9.728 1.350 1.00 0.00 H new ATOM 0 HA GLU A 118 -10.575 -10.757 3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.252 -11.570 1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -8.634 -12.384 2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.801 -13.254 3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.636 -12.124 2.306 1.00 0.00 H new ATOM 1783 N LYS A 119 -7.580 -9.522 3.411 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.335 -9.152 4.140 1.00 0.00 C ATOM 1785 C LYS A 119 -6.551 -7.821 4.867 1.00 0.00 C ATOM 1786 O LYS A 119 -5.912 -7.532 5.860 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.188 -9.010 3.140 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.368 -10.303 3.118 1.00 0.00 C ATOM 1789 CD LYS A 119 -3.233 -10.176 2.099 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.059 -11.504 1.360 1.00 0.00 C ATOM 1791 NZ LYS A 119 -2.905 -12.606 2.351 1.00 0.00 N ATOM 0 H LYS A 119 -7.642 -9.174 2.454 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.089 -9.926 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.582 -8.800 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.553 -8.168 3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.960 -10.503 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.008 -11.147 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.455 -9.379 1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.306 -9.904 2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.922 -11.693 0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.185 -11.459 0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.369 -13.387 1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.394 -12.253 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.844 -12.948 2.639 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.446 -7.011 4.374 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.708 -5.696 5.025 1.00 0.00 C ATOM 1807 C LEU A 120 -8.333 -5.913 6.408 1.00 0.00 C ATOM 1808 O LEU A 120 -7.736 -5.613 7.420 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.668 -4.885 4.151 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.525 -3.397 4.468 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.446 -2.781 3.571 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.859 -2.693 4.210 1.00 0.00 C ATOM 0 H LEU A 120 -8.009 -7.203 3.546 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.768 -5.156 5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.454 -5.064 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.694 -5.207 4.327 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.241 -3.276 5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.346 -1.720 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.495 -3.282 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.729 -2.902 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.760 -1.631 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.140 -2.817 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.629 -3.128 4.846 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.534 -6.425 6.457 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.202 -6.652 7.774 1.00 0.00 C ATOM 1826 C ASN A 121 -9.217 -7.280 8.761 1.00 0.00 C ATOM 1827 O ASN A 121 -9.059 -6.822 9.875 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.394 -7.593 7.587 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.388 -7.393 8.733 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.150 -7.831 9.842 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.499 -6.746 8.513 1.00 0.00 N ATOM 0 H ASN A 121 -10.083 -6.697 5.641 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.544 -5.694 8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.880 -7.396 6.632 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.053 -8.628 7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.167 -6.608 9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.699 -6.378 7.583 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.561 -8.328 8.360 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.590 -8.997 9.273 1.00 0.00 C ATOM 1840 C LYS A 122 -6.471 -8.022 9.653 1.00 0.00 C ATOM 1841 O LYS A 122 -5.866 -8.139 10.700 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.989 -10.216 8.571 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.529 -11.494 9.216 1.00 0.00 C ATOM 1844 CD LYS A 122 -6.919 -12.715 8.524 1.00 0.00 C ATOM 1845 CE LYS A 122 -7.434 -13.991 9.192 1.00 0.00 C ATOM 1846 NZ LYS A 122 -7.160 -13.933 10.656 1.00 0.00 N ATOM 0 H LYS A 122 -8.653 -8.754 7.438 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.109 -9.314 10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.239 -10.198 7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.902 -10.191 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -7.287 -11.507 10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -8.616 -11.523 9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.181 -12.715 7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.831 -12.674 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.504 -14.100 9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.949 -14.864 8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.154 -14.897 11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.234 -13.488 10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.900 -13.374 11.126 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.185 -7.067 8.812 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.099 -6.096 9.134 1.00 0.00 C ATOM 1862 C ILE A 123 -5.631 -5.011 10.073 1.00 0.00 C ATOM 1863 O ILE A 123 -4.992 -4.654 11.044 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.592 -5.443 7.845 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.546 -6.351 7.193 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.956 -4.087 8.167 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.280 -5.879 5.762 1.00 0.00 C ATOM 0 H ILE A 123 -6.654 -6.916 7.919 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.282 -6.628 9.621 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.429 -5.296 7.162 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.622 -6.332 7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.898 -7.383 7.187 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.597 -3.626 7.247 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.698 -3.438 8.632 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.120 -4.231 8.851 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.535 -6.526 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.205 -5.921 5.187 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.910 -4.854 5.780 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.784 -4.470 9.791 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.328 -3.401 10.669 1.00 0.00 C ATOM 1881 C PHE A 124 -7.625 -3.967 12.054 1.00 0.00 C ATOM 1882 O PHE A 124 -7.939 -3.239 12.974 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.590 -2.816 10.040 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.166 -1.829 8.985 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.502 -2.284 7.844 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.413 -0.462 9.155 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.084 -1.377 6.869 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.997 0.448 8.176 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.331 -0.012 7.035 1.00 0.00 C ATOM 0 H PHE A 124 -7.369 -4.721 8.994 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.591 -2.605 10.776 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.199 -3.606 9.601 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.202 -2.326 10.797 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.312 -3.339 7.716 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.923 -0.110 10.039 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.570 -1.730 5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.190 1.503 8.301 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.007 0.690 6.281 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.496 -5.253 12.225 1.00 0.00 N ATOM 1900 CA GLU A 125 -7.738 -5.836 13.570 1.00 0.00 C ATOM 1901 C GLU A 125 -6.628 -5.336 14.491 1.00 0.00 C ATOM 1902 O GLU A 125 -6.812 -5.164 15.679 1.00 0.00 O ATOM 1903 CB GLU A 125 -7.700 -7.364 13.492 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.136 -7.954 14.834 1.00 0.00 C ATOM 1905 CD GLU A 125 -7.096 -8.973 15.305 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -6.635 -9.744 14.480 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -6.780 -8.964 16.483 1.00 0.00 O ATOM 0 H GLU A 125 -7.236 -5.919 11.498 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.716 -5.538 13.947 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.358 -7.715 12.697 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.694 -7.701 13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.245 -7.161 15.574 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.110 -8.432 14.734 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.478 -5.075 13.929 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.345 -4.556 14.736 1.00 0.00 C ATOM 1916 C LYS A 126 -4.469 -3.034 14.805 1.00 0.00 C ATOM 1917 O LYS A 126 -4.150 -2.414 15.799 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.022 -4.930 14.063 1.00 0.00 C ATOM 1919 CG LYS A 126 -2.901 -6.452 13.973 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.579 -6.820 13.294 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.686 -8.218 12.683 1.00 0.00 C ATOM 1922 NZ LYS A 126 -0.406 -8.560 12.001 1.00 0.00 N ATOM 0 H LYS A 126 -5.277 -5.201 12.937 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.366 -4.985 15.738 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -2.974 -4.492 13.066 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.186 -4.522 14.631 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.944 -6.890 14.970 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.739 -6.861 13.408 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -1.342 -6.091 12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.766 -6.791 14.019 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.904 -8.951 13.460 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.511 -8.254 11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.477 -9.511 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.217 -7.866 11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 0.371 -8.542 12.692 1.00 0.00 H new ATOM 1936 N LEU A 127 -4.947 -2.433 13.748 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.114 -0.954 13.736 1.00 0.00 C ATOM 1938 C LEU A 127 -6.291 -0.584 14.645 1.00 0.00 C ATOM 1939 O LEU A 127 -6.345 0.493 15.204 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.392 -0.486 12.299 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.782 0.900 12.073 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -5.032 1.333 10.628 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.427 1.912 13.022 1.00 0.00 C ATOM 0 H LEU A 127 -5.230 -2.906 12.890 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.207 -0.469 14.098 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.972 -1.198 11.588 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.467 -0.453 12.120 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.710 0.857 12.266 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.599 2.320 10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.571 0.616 9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -6.105 1.372 10.440 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.989 2.896 12.857 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.500 1.956 12.833 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.253 1.606 14.054 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.229 -1.479 14.806 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.398 -1.189 15.686 1.00 0.00 C ATOM 1957 C GLY A 128 -8.981 0.181 15.339 1.00 0.00 C ATOM 1958 O GLY A 128 -8.704 1.166 15.996 1.00 0.00 O ATOM 0 H GLY A 128 -7.236 -2.399 14.366 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.158 -1.960 15.562 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.091 -1.210 16.732 1.00 0.00 H new ATOM 1962 N MET A 129 -9.792 0.247 14.314 1.00 0.00 N ATOM 1963 CA MET A 129 -10.406 1.548 13.916 1.00 0.00 C ATOM 1964 C MET A 129 -11.892 1.544 14.284 1.00 0.00 C ATOM 1965 O MET A 129 -12.503 2.597 14.213 1.00 0.00 O ATOM 1966 CB MET A 129 -10.258 1.735 12.405 1.00 0.00 C ATOM 1967 CG MET A 129 -9.472 3.017 12.123 1.00 0.00 C ATOM 1968 SD MET A 129 -10.419 4.445 12.703 1.00 0.00 S ATOM 1969 CE MET A 129 -9.084 5.248 13.625 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.392 0.486 14.630 1.00 0.00 O ATOM 0 H MET A 129 -10.056 -0.549 13.733 1.00 0.00 H new ATOM 0 HA MET A 129 -9.904 2.363 14.437 1.00 0.00 H new ATOM 0 HB2 MET A 129 -9.744 0.878 11.971 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.241 1.788 11.937 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.505 2.981 12.624 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.274 3.108 11.055 1.00 0.00 H new ATOM 0 HE1 MET A 129 -9.455 6.169 14.075 1.00 0.00 H new ATOM 0 HE2 MET A 129 -8.729 4.578 14.408 1.00 0.00 H new ATOM 0 HE3 MET A 129 -8.263 5.481 12.947 1.00 0.00 H new