USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 539 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 10 SER OG : rot 180:sc= 1.14 USER MOD Set 1.2: A 14 CYS SG : rot 143:sc= 0.883 USER MOD Set 1.3: A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 151:sc= 0.0072 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -4.49 K(o=-4.5,f=-13!) USER MOD Single : A 5 SER OG : rot -134:sc= 0.00135 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 174:sc= -0.668 (180deg=-0.738) USER MOD Single : A 11 CYS SG : rot -170:sc= -2.88! USER MOD Single : A 12 ASN : amide:sc= -3.34! C(o=-3.3!,f=-3.1!) USER MOD Single : A 13 HIS : no HE2:sc= 0.1 K(o=0.1,f=-0.55) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.664) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -0.282 (180deg=-1.15) USER MOD Single : A 34 GLN : amide:sc= -5.98! C(o=-6!,f=-4.4!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -139:sc= -0.0352 (180deg=-0.828) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -3.32! C(o=-3.3!,f=-4.2!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 17:sc= -1.63 USER MOD Single : A 56 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.00048) USER MOD Single : A 59 ASN : amide:sc= -5.69! C(o=-5.7!,f=-8.8!) USER MOD Single : A 64 GLN : amide:sc= -0.0412 K(o=-0.041,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.101 -6.682 -7.089 1.00 0.00 N ATOM 2 CA ALA A 1 -6.291 -5.663 -6.443 1.00 0.00 C ATOM 3 C ALA A 1 -7.202 -4.704 -5.674 1.00 0.00 C ATOM 4 O ALA A 1 -8.208 -4.238 -6.207 1.00 0.00 O ATOM 5 CB ALA A 1 -5.441 -4.945 -7.493 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.623 -7.010 -7.953 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.232 -7.484 -6.440 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.029 -6.282 -7.337 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.608 -6.115 -5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.833 -4.181 -7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.790 -5.665 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.093 -4.477 -8.231 1.00 0.00 H new ATOM 11 N GLN A 2 -6.817 -4.438 -4.435 1.00 0.00 N ATOM 12 CA GLN A 2 -7.587 -3.543 -3.588 1.00 0.00 C ATOM 13 C GLN A 2 -6.872 -2.197 -3.450 1.00 0.00 C ATOM 14 O GLN A 2 -5.646 -2.132 -3.516 1.00 0.00 O ATOM 15 CB GLN A 2 -7.844 -4.171 -2.217 1.00 0.00 C ATOM 16 CG GLN A 2 -9.284 -4.673 -2.105 1.00 0.00 C ATOM 17 CD GLN A 2 -10.222 -3.553 -1.650 1.00 0.00 C ATOM 18 OE1 GLN A 2 -9.804 -2.532 -1.130 1.00 0.00 O ATOM 19 NE2 GLN A 2 -11.509 -3.800 -1.875 1.00 0.00 N ATOM 0 H GLN A 2 -5.982 -4.827 -3.997 1.00 0.00 H new ATOM 0 HA GLN A 2 -8.555 -3.371 -4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.153 -4.999 -2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.649 -3.437 -1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.614 -5.059 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.330 -5.501 -1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.791 -4.676 -2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.214 -3.113 -1.608 1.00 0.00 H new ATOM 28 N GLU A 3 -7.670 -1.156 -3.260 1.00 0.00 N ATOM 29 CA GLU A 3 -7.129 0.184 -3.112 1.00 0.00 C ATOM 30 C GLU A 3 -7.220 0.635 -1.653 1.00 0.00 C ATOM 31 O GLU A 3 -7.919 0.017 -0.851 1.00 0.00 O ATOM 32 CB GLU A 3 -7.846 1.170 -4.036 1.00 0.00 C ATOM 33 CG GLU A 3 -9.363 0.974 -3.976 1.00 0.00 C ATOM 34 CD GLU A 3 -10.097 2.212 -4.495 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.410 3.070 -5.091 1.00 0.00 O ATOM 36 OE2 GLU A 3 -11.327 2.272 -4.285 1.00 0.00 O ATOM 0 H GLU A 3 -8.687 -1.214 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.078 0.164 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.596 2.191 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.498 1.033 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.645 0.104 -4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.667 0.771 -2.949 1.00 0.00 H new ATOM 43 N PHE A 4 -6.502 1.707 -1.352 1.00 0.00 N ATOM 44 CA PHE A 4 -6.493 2.248 -0.004 1.00 0.00 C ATOM 45 C PHE A 4 -6.369 3.773 -0.025 1.00 0.00 C ATOM 46 O PHE A 4 -5.431 4.315 -0.608 1.00 0.00 O ATOM 47 CB PHE A 4 -5.272 1.659 0.706 1.00 0.00 C ATOM 48 CG PHE A 4 -4.853 0.283 0.184 1.00 0.00 C ATOM 49 CD1 PHE A 4 -4.191 0.177 -0.999 1.00 0.00 C ATOM 50 CD2 PHE A 4 -5.142 -0.834 0.904 1.00 0.00 C ATOM 51 CE1 PHE A 4 -3.802 -1.100 -1.483 1.00 0.00 C ATOM 52 CE2 PHE A 4 -4.753 -2.111 0.420 1.00 0.00 C ATOM 53 CZ PHE A 4 -4.091 -2.217 -0.764 1.00 0.00 C ATOM 0 H PHE A 4 -5.922 2.216 -2.019 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.423 1.993 0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.434 2.348 0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.486 1.582 1.772 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.961 1.064 -1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.667 -0.750 1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.276 -1.184 -2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.983 -2.998 0.992 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.795 -3.188 -1.132 1.00 0.00 H new ATOM 63 N SER A 5 -7.329 4.421 0.618 1.00 0.00 N ATOM 64 CA SER A 5 -7.339 5.873 0.680 1.00 0.00 C ATOM 65 C SER A 5 -6.520 6.351 1.881 1.00 0.00 C ATOM 66 O SER A 5 -6.714 5.875 2.998 1.00 0.00 O ATOM 67 CB SER A 5 -8.769 6.411 0.765 1.00 0.00 C ATOM 68 OG SER A 5 -8.822 7.689 1.392 1.00 0.00 O ATOM 0 H SER A 5 -8.105 3.968 1.100 1.00 0.00 H new ATOM 0 HA SER A 5 -6.889 6.257 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.190 6.482 -0.238 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.388 5.708 1.322 1.00 0.00 H new ATOM 0 HG SER A 5 -9.543 7.698 2.056 1.00 0.00 H new ATOM 74 N VAL A 6 -5.622 7.287 1.609 1.00 0.00 N ATOM 75 CA VAL A 6 -4.773 7.834 2.653 1.00 0.00 C ATOM 76 C VAL A 6 -5.222 9.262 2.974 1.00 0.00 C ATOM 77 O VAL A 6 -5.447 10.063 2.068 1.00 0.00 O ATOM 78 CB VAL A 6 -3.304 7.750 2.232 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.377 7.985 3.426 1.00 0.00 C ATOM 80 CG2 VAL A 6 -3.004 6.410 1.559 1.00 0.00 C ATOM 0 H VAL A 6 -5.464 7.680 0.681 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.869 7.249 3.568 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.118 8.540 1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.339 7.920 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.565 8.974 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.566 7.228 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.954 6.375 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.215 5.598 2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.629 6.300 0.673 1.00 0.00 H new ATOM 90 N LYS A 7 -5.339 9.535 4.265 1.00 0.00 N ATOM 91 CA LYS A 7 -5.757 10.852 4.716 1.00 0.00 C ATOM 92 C LYS A 7 -4.761 11.370 5.756 1.00 0.00 C ATOM 93 O LYS A 7 -5.160 11.899 6.793 1.00 0.00 O ATOM 94 CB LYS A 7 -7.203 10.813 5.214 1.00 0.00 C ATOM 95 CG LYS A 7 -8.162 10.433 4.084 1.00 0.00 C ATOM 96 CD LYS A 7 -9.570 10.967 4.358 1.00 0.00 C ATOM 97 CE LYS A 7 -9.656 12.465 4.060 1.00 0.00 C ATOM 98 NZ LYS A 7 -11.069 12.886 3.926 1.00 0.00 N ATOM 0 H LYS A 7 -5.152 8.867 5.013 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.749 11.560 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.292 10.094 6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.479 11.787 5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.794 10.834 3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.194 9.349 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.293 10.429 3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.836 10.784 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.176 13.029 4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.114 12.691 3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.110 13.905 3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.515 12.360 3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.576 12.688 4.812 1.00 0.00 H new ATOM 112 N GLY A 8 -3.485 11.200 5.443 1.00 0.00 N ATOM 113 CA GLY A 8 -2.430 11.643 6.338 1.00 0.00 C ATOM 114 C GLY A 8 -1.101 11.781 5.592 1.00 0.00 C ATOM 115 O GLY A 8 -0.034 11.710 6.200 1.00 0.00 O ATOM 0 H GLY A 8 -3.158 10.762 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.703 12.600 6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.320 10.932 7.156 1.00 0.00 H new ATOM 119 N MET A 9 -1.209 11.974 4.286 1.00 0.00 N ATOM 120 CA MET A 9 -0.029 12.122 3.451 1.00 0.00 C ATOM 121 C MET A 9 0.602 13.504 3.634 1.00 0.00 C ATOM 122 O MET A 9 -0.092 14.472 3.943 1.00 0.00 O ATOM 123 CB MET A 9 -0.414 11.926 1.984 1.00 0.00 C ATOM 124 CG MET A 9 0.421 10.816 1.342 1.00 0.00 C ATOM 125 SD MET A 9 1.091 11.379 -0.215 1.00 0.00 S ATOM 126 CE MET A 9 0.449 10.117 -1.302 1.00 0.00 C ATOM 0 H MET A 9 -2.096 12.031 3.785 1.00 0.00 H new ATOM 0 HA MET A 9 0.700 11.368 3.748 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.473 11.677 1.912 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.268 12.858 1.438 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.230 10.525 2.012 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.196 9.931 1.183 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.684 10.373 -2.335 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.903 9.158 -1.054 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.632 10.049 -1.182 1.00 0.00 H new ATOM 136 N SER A 10 1.911 13.553 3.434 1.00 0.00 N ATOM 137 CA SER A 10 2.643 14.801 3.573 1.00 0.00 C ATOM 138 C SER A 10 3.348 15.142 2.258 1.00 0.00 C ATOM 139 O SER A 10 3.397 16.305 1.860 1.00 0.00 O ATOM 140 CB SER A 10 3.658 14.719 4.714 1.00 0.00 C ATOM 141 OG SER A 10 4.947 14.319 4.255 1.00 0.00 O ATOM 0 H SER A 10 2.484 12.749 3.177 1.00 0.00 H new ATOM 0 HA SER A 10 1.931 15.591 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.733 15.690 5.203 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.304 14.011 5.464 1.00 0.00 H new ATOM 0 HG SER A 10 5.567 14.280 5.013 1.00 0.00 H new ATOM 147 N CYS A 11 3.876 14.108 1.621 1.00 0.00 N ATOM 148 CA CYS A 11 4.576 14.284 0.360 1.00 0.00 C ATOM 149 C CYS A 11 6.052 14.551 0.663 1.00 0.00 C ATOM 150 O CYS A 11 6.400 14.936 1.778 1.00 0.00 O ATOM 151 CB CYS A 11 3.955 15.401 -0.481 1.00 0.00 C ATOM 152 SG CYS A 11 4.313 15.124 -2.254 1.00 0.00 S ATOM 0 H CYS A 11 3.833 13.145 1.954 1.00 0.00 H new ATOM 0 HA CYS A 11 4.487 13.377 -0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.877 15.432 -0.320 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.352 16.367 -0.168 1.00 0.00 H new ATOM 0 HG CYS A 11 3.967 16.175 -2.936 1.00 0.00 H new ATOM 158 N ASN A 12 6.879 14.336 -0.350 1.00 0.00 N ATOM 159 CA ASN A 12 8.309 14.548 -0.206 1.00 0.00 C ATOM 160 C ASN A 12 8.934 13.335 0.485 1.00 0.00 C ATOM 161 O ASN A 12 9.258 13.390 1.671 1.00 0.00 O ATOM 162 CB ASN A 12 8.599 15.782 0.651 1.00 0.00 C ATOM 163 CG ASN A 12 7.558 16.876 0.408 1.00 0.00 C ATOM 164 OD1 ASN A 12 7.195 17.185 -0.716 1.00 0.00 O ATOM 165 ND2 ASN A 12 7.098 17.444 1.519 1.00 0.00 N ATOM 0 H ASN A 12 6.586 14.017 -1.273 1.00 0.00 H new ATOM 0 HA ASN A 12 8.730 14.692 -1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.601 15.505 1.705 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.594 16.164 0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.399 18.185 1.461 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.444 17.139 2.429 1.00 0.00 H new ATOM 172 N HIS A 13 9.084 12.268 -0.285 1.00 0.00 N ATOM 173 CA HIS A 13 9.664 11.043 0.239 1.00 0.00 C ATOM 174 C HIS A 13 8.557 10.153 0.809 1.00 0.00 C ATOM 175 O HIS A 13 8.745 8.948 0.969 1.00 0.00 O ATOM 176 CB HIS A 13 10.760 11.354 1.260 1.00 0.00 C ATOM 177 CG HIS A 13 11.936 10.409 1.206 1.00 0.00 C ATOM 178 ND1 HIS A 13 11.801 9.057 0.939 1.00 0.00 N ATOM 179 CD2 HIS A 13 13.270 10.634 1.386 1.00 0.00 C ATOM 180 CE1 HIS A 13 13.004 8.504 0.960 1.00 0.00 C ATOM 181 NE2 HIS A 13 13.913 9.482 1.238 1.00 0.00 N ATOM 0 H HIS A 13 8.814 12.226 -1.268 1.00 0.00 H new ATOM 0 HA HIS A 13 10.146 10.491 -0.568 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.117 12.371 1.096 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.329 11.324 2.261 1.00 0.00 H new ATOM 0 HD1 HIS A 13 10.924 8.570 0.757 1.00 0.00 H new ATOM 0 HD2 HIS A 13 13.725 11.587 1.611 1.00 0.00 H new ATOM 0 HE1 HIS A 13 13.226 7.461 0.787 1.00 0.00 H new ATOM 189 N CYS A 14 7.428 10.782 1.099 1.00 0.00 N ATOM 190 CA CYS A 14 6.291 10.063 1.648 1.00 0.00 C ATOM 191 C CYS A 14 5.791 9.076 0.591 1.00 0.00 C ATOM 192 O CYS A 14 5.789 7.867 0.817 1.00 0.00 O ATOM 193 CB CYS A 14 5.186 11.017 2.106 1.00 0.00 C ATOM 194 SG CYS A 14 5.540 11.620 3.797 1.00 0.00 S ATOM 0 H CYS A 14 7.276 11.782 0.964 1.00 0.00 H new ATOM 0 HA CYS A 14 6.599 9.515 2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.114 11.860 1.418 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.223 10.507 2.087 1.00 0.00 H new ATOM 0 HG CYS A 14 5.188 12.867 3.896 1.00 0.00 H new ATOM 200 N VAL A 15 5.379 9.628 -0.541 1.00 0.00 N ATOM 201 CA VAL A 15 4.878 8.812 -1.633 1.00 0.00 C ATOM 202 C VAL A 15 5.714 7.535 -1.735 1.00 0.00 C ATOM 203 O VAL A 15 5.169 6.434 -1.789 1.00 0.00 O ATOM 204 CB VAL A 15 4.866 9.623 -2.930 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.976 8.707 -4.151 1.00 0.00 C ATOM 206 CG2 VAL A 15 3.617 10.503 -3.015 1.00 0.00 C ATOM 0 H VAL A 15 5.382 10.631 -0.725 1.00 0.00 H new ATOM 0 HA VAL A 15 3.847 8.512 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 15 5.737 10.278 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.965 9.309 -5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.908 8.143 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.134 8.015 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.633 11.069 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.727 9.875 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.600 11.193 -2.171 1.00 0.00 H new ATOM 216 N ALA A 16 7.026 7.724 -1.757 1.00 0.00 N ATOM 217 CA ALA A 16 7.943 6.601 -1.851 1.00 0.00 C ATOM 218 C ALA A 16 7.845 5.761 -0.576 1.00 0.00 C ATOM 219 O ALA A 16 7.609 4.555 -0.639 1.00 0.00 O ATOM 220 CB ALA A 16 9.360 7.119 -2.101 1.00 0.00 C ATOM 0 H ALA A 16 7.475 8.639 -1.711 1.00 0.00 H new ATOM 0 HA ALA A 16 7.679 5.958 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.048 6.277 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.382 7.684 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.662 7.766 -1.277 1.00 0.00 H new ATOM 226 N ARG A 17 8.032 6.431 0.552 1.00 0.00 N ATOM 227 CA ARG A 17 7.968 5.761 1.840 1.00 0.00 C ATOM 228 C ARG A 17 6.761 4.823 1.891 1.00 0.00 C ATOM 229 O ARG A 17 6.849 3.720 2.430 1.00 0.00 O ATOM 230 CB ARG A 17 7.868 6.773 2.983 1.00 0.00 C ATOM 231 CG ARG A 17 9.050 6.633 3.944 1.00 0.00 C ATOM 232 CD ARG A 17 9.504 8.001 4.458 1.00 0.00 C ATOM 233 NE ARG A 17 10.801 7.873 5.159 1.00 0.00 N ATOM 234 CZ ARG A 17 11.335 8.829 5.931 1.00 0.00 C ATOM 235 NH1 ARG A 17 10.686 9.989 6.107 1.00 0.00 N ATOM 236 NH2 ARG A 17 12.518 8.627 6.527 1.00 0.00 N ATOM 0 H ARG A 17 8.228 7.431 0.601 1.00 0.00 H new ATOM 0 HA ARG A 17 8.885 5.185 1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.843 7.784 2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.934 6.624 3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.766 6.000 4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.878 6.138 3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.598 8.698 3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.754 8.412 5.135 1.00 0.00 H new ATOM 0 HE ARG A 17 11.321 7.003 5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.786 10.144 5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.093 10.717 6.695 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.013 7.745 6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.924 9.355 7.115 1.00 0.00 H new ATOM 250 N ILE A 18 5.661 5.295 1.323 1.00 0.00 N ATOM 251 CA ILE A 18 4.437 4.512 1.297 1.00 0.00 C ATOM 252 C ILE A 18 4.585 3.375 0.283 1.00 0.00 C ATOM 253 O ILE A 18 4.580 2.203 0.655 1.00 0.00 O ATOM 254 CB ILE A 18 3.229 5.414 1.037 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.194 6.582 2.025 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.928 4.609 1.055 1.00 0.00 C ATOM 257 CD1 ILE A 18 2.121 7.600 1.633 1.00 0.00 C ATOM 0 H ILE A 18 5.592 6.210 0.877 1.00 0.00 H new ATOM 0 HA ILE A 18 4.259 4.052 2.269 1.00 0.00 H new ATOM 0 HB ILE A 18 3.330 5.839 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.996 6.208 3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.169 7.069 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.086 5.275 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.964 3.842 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.806 4.136 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.117 8.420 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.336 7.990 0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.144 7.116 1.630 1.00 0.00 H new ATOM 269 N GLU A 19 4.713 3.762 -0.977 1.00 0.00 N ATOM 270 CA GLU A 19 4.862 2.790 -2.047 1.00 0.00 C ATOM 271 C GLU A 19 5.903 1.736 -1.665 1.00 0.00 C ATOM 272 O GLU A 19 5.662 0.539 -1.811 1.00 0.00 O ATOM 273 CB GLU A 19 5.234 3.476 -3.363 1.00 0.00 C ATOM 274 CG GLU A 19 5.970 2.512 -4.295 1.00 0.00 C ATOM 275 CD GLU A 19 7.468 2.484 -3.983 1.00 0.00 C ATOM 276 OE1 GLU A 19 7.982 3.547 -3.573 1.00 0.00 O ATOM 277 OE2 GLU A 19 8.065 1.400 -4.161 1.00 0.00 O ATOM 0 H GLU A 19 4.717 4.735 -1.282 1.00 0.00 H new ATOM 0 HA GLU A 19 3.904 2.290 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.332 3.844 -3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.863 4.343 -3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.554 1.510 -4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.816 2.814 -5.331 1.00 0.00 H new ATOM 284 N GLU A 20 7.039 2.219 -1.183 1.00 0.00 N ATOM 285 CA GLU A 20 8.117 1.333 -0.778 1.00 0.00 C ATOM 286 C GLU A 20 7.687 0.486 0.421 1.00 0.00 C ATOM 287 O GLU A 20 7.821 -0.736 0.402 1.00 0.00 O ATOM 288 CB GLU A 20 9.388 2.125 -0.463 1.00 0.00 C ATOM 289 CG GLU A 20 10.631 1.244 -0.603 1.00 0.00 C ATOM 290 CD GLU A 20 11.074 1.149 -2.065 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.790 2.076 -2.502 1.00 0.00 O ATOM 292 OE2 GLU A 20 10.687 0.152 -2.712 1.00 0.00 O ATOM 0 H GLU A 20 7.236 3.213 -1.064 1.00 0.00 H new ATOM 0 HA GLU A 20 8.342 0.663 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.465 2.979 -1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.332 2.522 0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.441 1.653 0.000 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.419 0.247 -0.218 1.00 0.00 H new ATOM 299 N ALA A 21 7.179 1.170 1.436 1.00 0.00 N ATOM 300 CA ALA A 21 6.728 0.496 2.642 1.00 0.00 C ATOM 301 C ALA A 21 5.686 -0.561 2.271 1.00 0.00 C ATOM 302 O ALA A 21 5.670 -1.650 2.843 1.00 0.00 O ATOM 303 CB ALA A 21 6.185 1.528 3.631 1.00 0.00 C ATOM 0 H ALA A 21 7.070 2.184 1.448 1.00 0.00 H new ATOM 0 HA ALA A 21 7.558 -0.016 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.847 1.022 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.972 2.238 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.348 2.060 3.179 1.00 0.00 H new ATOM 309 N VAL A 22 4.841 -0.203 1.315 1.00 0.00 N ATOM 310 CA VAL A 22 3.798 -1.107 0.861 1.00 0.00 C ATOM 311 C VAL A 22 4.421 -2.201 -0.008 1.00 0.00 C ATOM 312 O VAL A 22 4.053 -3.370 0.101 1.00 0.00 O ATOM 313 CB VAL A 22 2.703 -0.321 0.138 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.839 -1.247 -0.721 1.00 0.00 C ATOM 315 CG2 VAL A 22 1.844 0.464 1.133 1.00 0.00 C ATOM 0 H VAL A 22 4.858 0.701 0.842 1.00 0.00 H new ATOM 0 HA VAL A 22 3.321 -1.597 1.710 1.00 0.00 H new ATOM 0 HB VAL A 22 3.187 0.396 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.068 -0.663 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.464 -1.741 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.369 -1.998 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.073 1.014 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.374 -0.227 1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.472 1.165 1.682 1.00 0.00 H new ATOM 325 N GLY A 23 5.354 -1.784 -0.852 1.00 0.00 N ATOM 326 CA GLY A 23 6.031 -2.714 -1.739 1.00 0.00 C ATOM 327 C GLY A 23 6.964 -3.639 -0.955 1.00 0.00 C ATOM 328 O GLY A 23 7.512 -4.590 -1.511 1.00 0.00 O ATOM 0 H GLY A 23 5.657 -0.814 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.294 -3.308 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.603 -2.161 -2.484 1.00 0.00 H new ATOM 332 N ARG A 24 7.115 -3.329 0.324 1.00 0.00 N ATOM 333 CA ARG A 24 7.972 -4.120 1.190 1.00 0.00 C ATOM 334 C ARG A 24 7.167 -5.238 1.856 1.00 0.00 C ATOM 335 O ARG A 24 7.739 -6.162 2.432 1.00 0.00 O ATOM 336 CB ARG A 24 8.616 -3.251 2.272 1.00 0.00 C ATOM 337 CG ARG A 24 9.201 -4.113 3.392 1.00 0.00 C ATOM 338 CD ARG A 24 10.307 -3.365 4.139 1.00 0.00 C ATOM 339 NE ARG A 24 11.634 -3.844 3.691 1.00 0.00 N ATOM 340 CZ ARG A 24 12.160 -5.028 4.032 1.00 0.00 C ATOM 341 NH1 ARG A 24 11.475 -5.861 4.827 1.00 0.00 N ATOM 342 NH2 ARG A 24 13.371 -5.379 3.578 1.00 0.00 N ATOM 0 H ARG A 24 6.658 -2.540 0.782 1.00 0.00 H new ATOM 0 HA ARG A 24 8.759 -4.552 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.403 -2.639 1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.874 -2.568 2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.412 -4.394 4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.600 -5.037 2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.218 -2.294 3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.200 -3.518 5.213 1.00 0.00 H new ATOM 0 HE ARG A 24 12.182 -3.234 3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.553 -5.594 5.172 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.875 -6.763 5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.892 -4.745 2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.771 -6.280 3.838 1.00 0.00 H new ATOM 356 N ILE A 25 5.851 -5.117 1.755 1.00 0.00 N ATOM 357 CA ILE A 25 4.962 -6.105 2.341 1.00 0.00 C ATOM 358 C ILE A 25 5.139 -7.439 1.614 1.00 0.00 C ATOM 359 O ILE A 25 4.895 -7.533 0.412 1.00 0.00 O ATOM 360 CB ILE A 25 3.520 -5.593 2.343 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.416 -4.250 3.068 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.568 -6.637 2.932 1.00 0.00 C ATOM 363 CD1 ILE A 25 4.070 -4.320 4.449 1.00 0.00 C ATOM 0 H ILE A 25 5.380 -4.350 1.276 1.00 0.00 H new ATOM 0 HA ILE A 25 5.218 -6.275 3.387 1.00 0.00 H new ATOM 0 HB ILE A 25 3.216 -5.426 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.897 -3.473 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.368 -3.969 3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.550 -6.248 2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.614 -7.549 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.861 -6.859 3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.982 -3.352 4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.571 -5.081 5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.124 -4.577 4.340 1.00 0.00 H new ATOM 375 N SER A 26 5.564 -8.439 2.373 1.00 0.00 N ATOM 376 CA SER A 26 5.778 -9.763 1.816 1.00 0.00 C ATOM 377 C SER A 26 4.446 -10.357 1.353 1.00 0.00 C ATOM 378 O SER A 26 3.716 -10.949 2.148 1.00 0.00 O ATOM 379 CB SER A 26 6.446 -10.688 2.835 1.00 0.00 C ATOM 380 OG SER A 26 6.770 -11.957 2.272 1.00 0.00 O ATOM 0 H SER A 26 5.766 -8.358 3.370 1.00 0.00 H new ATOM 0 HA SER A 26 6.445 -9.670 0.959 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.353 -10.217 3.213 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.781 -10.829 3.687 1.00 0.00 H new ATOM 0 HG SER A 26 7.196 -12.518 2.953 1.00 0.00 H new ATOM 386 N GLY A 27 4.169 -10.180 0.070 1.00 0.00 N ATOM 387 CA GLY A 27 2.938 -10.691 -0.508 1.00 0.00 C ATOM 388 C GLY A 27 2.417 -9.758 -1.603 1.00 0.00 C ATOM 389 O GLY A 27 1.569 -10.147 -2.404 1.00 0.00 O ATOM 0 H GLY A 27 4.776 -9.689 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.112 -11.684 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.184 -10.799 0.271 1.00 0.00 H new ATOM 393 N VAL A 28 2.946 -8.543 -1.602 1.00 0.00 N ATOM 394 CA VAL A 28 2.545 -7.551 -2.585 1.00 0.00 C ATOM 395 C VAL A 28 3.378 -7.733 -3.855 1.00 0.00 C ATOM 396 O VAL A 28 4.605 -7.780 -3.796 1.00 0.00 O ATOM 397 CB VAL A 28 2.663 -6.147 -1.989 1.00 0.00 C ATOM 398 CG1 VAL A 28 2.553 -5.078 -3.079 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.616 -5.925 -0.896 1.00 0.00 C ATOM 0 H VAL A 28 3.649 -8.223 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 28 1.499 -7.686 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 28 3.648 -6.059 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.640 -4.089 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.352 -5.217 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.588 -5.166 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.722 -4.919 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.618 -6.042 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.761 -6.655 -0.100 1.00 0.00 H new ATOM 409 N LYS A 29 2.676 -7.831 -4.975 1.00 0.00 N ATOM 410 CA LYS A 29 3.335 -8.007 -6.258 1.00 0.00 C ATOM 411 C LYS A 29 3.730 -6.639 -6.816 1.00 0.00 C ATOM 412 O LYS A 29 4.864 -6.445 -7.252 1.00 0.00 O ATOM 413 CB LYS A 29 2.455 -8.827 -7.204 1.00 0.00 C ATOM 414 CG LYS A 29 3.274 -9.903 -7.920 1.00 0.00 C ATOM 415 CD LYS A 29 3.727 -9.422 -9.299 1.00 0.00 C ATOM 416 CE LYS A 29 5.234 -9.612 -9.479 1.00 0.00 C ATOM 417 NZ LYS A 29 5.658 -9.155 -10.821 1.00 0.00 N ATOM 0 H LYS A 29 1.658 -7.792 -5.020 1.00 0.00 H new ATOM 0 HA LYS A 29 4.255 -8.580 -6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.647 -9.294 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.992 -8.168 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.145 -10.163 -7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.677 -10.809 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.193 -9.972 -10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.472 -8.369 -9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.771 -9.054 -8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.492 -10.663 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.379 -9.803 -11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.837 -9.143 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.057 -8.197 -10.752 1.00 0.00 H new ATOM 431 N LYS A 30 2.772 -5.724 -6.785 1.00 0.00 N ATOM 432 CA LYS A 30 3.005 -4.379 -7.282 1.00 0.00 C ATOM 433 C LYS A 30 2.397 -3.367 -6.309 1.00 0.00 C ATOM 434 O LYS A 30 1.480 -3.697 -5.557 1.00 0.00 O ATOM 435 CB LYS A 30 2.489 -4.240 -8.716 1.00 0.00 C ATOM 436 CG LYS A 30 2.980 -5.397 -9.589 1.00 0.00 C ATOM 437 CD LYS A 30 3.412 -4.897 -10.969 1.00 0.00 C ATOM 438 CE LYS A 30 4.208 -5.969 -11.716 1.00 0.00 C ATOM 439 NZ LYS A 30 4.729 -5.432 -12.993 1.00 0.00 N ATOM 0 H LYS A 30 1.833 -5.888 -6.423 1.00 0.00 H new ATOM 0 HA LYS A 30 4.074 -4.172 -7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.399 -4.218 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.826 -3.293 -9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.817 -5.896 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.187 -6.137 -9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.533 -4.620 -11.551 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.019 -3.998 -10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.035 -6.315 -11.096 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.572 -6.833 -11.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.267 -6.172 -13.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.935 -5.124 -13.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.352 -4.622 -12.800 1.00 0.00 H new ATOM 453 N VAL A 31 2.930 -2.155 -6.354 1.00 0.00 N ATOM 454 CA VAL A 31 2.451 -1.093 -5.486 1.00 0.00 C ATOM 455 C VAL A 31 2.520 0.240 -6.232 1.00 0.00 C ATOM 456 O VAL A 31 3.377 0.430 -7.094 1.00 0.00 O ATOM 457 CB VAL A 31 3.245 -1.088 -4.178 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.750 -1.143 -4.450 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.887 0.129 -3.324 1.00 0.00 C ATOM 0 H VAL A 31 3.690 -1.885 -6.979 1.00 0.00 H new ATOM 0 HA VAL A 31 1.408 -1.261 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 31 2.973 -1.982 -3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.291 -1.138 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.987 -2.054 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.045 -0.276 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.465 0.108 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.117 1.041 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.823 0.107 -3.087 1.00 0.00 H new ATOM 469 N LYS A 32 1.606 1.130 -5.874 1.00 0.00 N ATOM 470 CA LYS A 32 1.553 2.441 -6.499 1.00 0.00 C ATOM 471 C LYS A 32 0.874 3.428 -5.547 1.00 0.00 C ATOM 472 O LYS A 32 0.226 3.021 -4.584 1.00 0.00 O ATOM 473 CB LYS A 32 0.884 2.352 -7.872 1.00 0.00 C ATOM 474 CG LYS A 32 1.392 3.456 -8.802 1.00 0.00 C ATOM 475 CD LYS A 32 2.911 3.374 -8.971 1.00 0.00 C ATOM 476 CE LYS A 32 3.592 4.631 -8.427 1.00 0.00 C ATOM 477 NZ LYS A 32 4.549 4.279 -7.355 1.00 0.00 N ATOM 0 H LYS A 32 0.896 0.969 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 32 2.559 2.817 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.085 1.377 -8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.197 2.435 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.909 3.368 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.119 4.431 -8.398 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.292 2.496 -8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.157 3.250 -10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.113 5.147 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.841 5.320 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.310 4.987 -7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.054 4.260 -6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.957 3.342 -7.548 1.00 0.00 H new ATOM 491 N VAL A 33 1.046 4.706 -5.850 1.00 0.00 N ATOM 492 CA VAL A 33 0.459 5.755 -5.033 1.00 0.00 C ATOM 493 C VAL A 33 -0.215 6.786 -5.941 1.00 0.00 C ATOM 494 O VAL A 33 0.193 6.969 -7.087 1.00 0.00 O ATOM 495 CB VAL A 33 1.524 6.366 -4.121 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.449 7.298 -4.907 1.00 0.00 C ATOM 497 CG2 VAL A 33 0.881 7.099 -2.942 1.00 0.00 C ATOM 0 H VAL A 33 1.584 5.039 -6.650 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.311 5.345 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 33 2.129 5.553 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.197 7.719 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.946 6.735 -5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.863 8.104 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.660 7.524 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.241 7.898 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.283 6.398 -2.360 1.00 0.00 H new ATOM 507 N GLN A 34 -1.234 7.432 -5.395 1.00 0.00 N ATOM 508 CA GLN A 34 -1.968 8.439 -6.142 1.00 0.00 C ATOM 509 C GLN A 34 -1.978 9.764 -5.376 1.00 0.00 C ATOM 510 O GLN A 34 -2.875 10.013 -4.572 1.00 0.00 O ATOM 511 CB GLN A 34 -3.392 7.969 -6.444 1.00 0.00 C ATOM 512 CG GLN A 34 -3.391 6.858 -7.495 1.00 0.00 C ATOM 513 CD GLN A 34 -3.778 5.514 -6.873 1.00 0.00 C ATOM 514 OE1 GLN A 34 -4.941 5.156 -6.778 1.00 0.00 O ATOM 515 NE2 GLN A 34 -2.742 4.793 -6.455 1.00 0.00 N ATOM 0 H GLN A 34 -1.569 7.278 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.464 8.596 -7.095 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.862 7.608 -5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.989 8.809 -6.799 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.089 7.108 -8.294 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.403 6.782 -7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.794 5.152 -6.565 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.896 3.881 -6.025 1.00 0.00 H new ATOM 524 N LEU A 35 -0.971 10.579 -5.654 1.00 0.00 N ATOM 525 CA LEU A 35 -0.853 11.872 -5.001 1.00 0.00 C ATOM 526 C LEU A 35 -2.022 12.762 -5.428 1.00 0.00 C ATOM 527 O LEU A 35 -2.773 12.414 -6.338 1.00 0.00 O ATOM 528 CB LEU A 35 0.520 12.487 -5.276 1.00 0.00 C ATOM 529 CG LEU A 35 0.928 13.650 -4.368 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.704 13.300 -2.895 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.371 14.079 -4.642 1.00 0.00 C ATOM 0 H LEU A 35 -0.230 10.369 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.916 11.760 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.272 11.703 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.540 12.834 -6.309 1.00 0.00 H new ATOM 0 HG LEU A 35 0.289 14.503 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.002 14.143 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.351 13.081 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.301 12.427 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.636 14.907 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.041 13.240 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.465 14.397 -5.680 1.00 0.00 H new ATOM 543 N LYS A 36 -2.141 13.894 -4.749 1.00 0.00 N ATOM 544 CA LYS A 36 -3.206 14.837 -5.046 1.00 0.00 C ATOM 545 C LYS A 36 -4.510 14.070 -5.278 1.00 0.00 C ATOM 546 O LYS A 36 -5.383 14.531 -6.011 1.00 0.00 O ATOM 547 CB LYS A 36 -2.809 15.742 -6.214 1.00 0.00 C ATOM 548 CG LYS A 36 -2.630 14.932 -7.500 1.00 0.00 C ATOM 549 CD LYS A 36 -2.612 15.847 -8.726 1.00 0.00 C ATOM 550 CE LYS A 36 -2.570 15.030 -10.019 1.00 0.00 C ATOM 551 NZ LYS A 36 -3.921 14.935 -10.616 1.00 0.00 N ATOM 0 H LYS A 36 -1.517 14.179 -3.994 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.373 15.503 -4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.573 16.505 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.882 16.263 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.700 14.366 -7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.440 14.208 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.497 16.483 -8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.745 16.506 -8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.885 15.495 -10.728 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.186 14.031 -9.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.875 14.377 -11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.566 14.471 -9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.273 15.890 -10.831 1.00 0.00 H new ATOM 565 N LYS A 37 -4.600 12.914 -4.638 1.00 0.00 N ATOM 566 CA LYS A 37 -5.783 12.079 -4.764 1.00 0.00 C ATOM 567 C LYS A 37 -6.065 11.395 -3.425 1.00 0.00 C ATOM 568 O LYS A 37 -7.221 11.252 -3.029 1.00 0.00 O ATOM 569 CB LYS A 37 -5.627 11.103 -5.932 1.00 0.00 C ATOM 570 CG LYS A 37 -6.791 11.235 -6.916 1.00 0.00 C ATOM 571 CD LYS A 37 -7.043 9.915 -7.648 1.00 0.00 C ATOM 572 CE LYS A 37 -7.659 10.161 -9.026 1.00 0.00 C ATOM 573 NZ LYS A 37 -7.656 8.915 -9.826 1.00 0.00 N ATOM 0 H LYS A 37 -3.873 12.535 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.655 12.688 -5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.686 11.295 -6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.580 10.082 -5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.692 11.536 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.573 12.020 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.105 9.371 -7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.708 9.288 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.680 10.526 -8.914 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.099 10.937 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.078 9.100 -10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.678 8.583 -9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.210 8.185 -9.334 1.00 0.00 H new ATOM 587 N GLU A 38 -4.990 10.992 -2.765 1.00 0.00 N ATOM 588 CA GLU A 38 -5.108 10.327 -1.478 1.00 0.00 C ATOM 589 C GLU A 38 -5.611 8.894 -1.665 1.00 0.00 C ATOM 590 O GLU A 38 -6.604 8.497 -1.059 1.00 0.00 O ATOM 591 CB GLU A 38 -6.024 11.111 -0.537 1.00 0.00 C ATOM 592 CG GLU A 38 -5.219 12.082 0.329 1.00 0.00 C ATOM 593 CD GLU A 38 -6.031 12.535 1.544 1.00 0.00 C ATOM 594 OE1 GLU A 38 -7.248 12.251 1.551 1.00 0.00 O ATOM 595 OE2 GLU A 38 -5.417 13.156 2.438 1.00 0.00 O ATOM 0 H GLU A 38 -4.033 11.113 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.120 10.288 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.762 11.663 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.574 10.419 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.299 11.602 0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.930 12.950 -0.264 1.00 0.00 H new ATOM 602 N LYS A 39 -4.901 8.157 -2.507 1.00 0.00 N ATOM 603 CA LYS A 39 -5.264 6.777 -2.782 1.00 0.00 C ATOM 604 C LYS A 39 -3.994 5.962 -3.038 1.00 0.00 C ATOM 605 O LYS A 39 -3.014 6.484 -3.567 1.00 0.00 O ATOM 606 CB LYS A 39 -6.280 6.706 -3.924 1.00 0.00 C ATOM 607 CG LYS A 39 -6.307 8.016 -4.715 1.00 0.00 C ATOM 608 CD LYS A 39 -7.454 8.914 -4.250 1.00 0.00 C ATOM 609 CE LYS A 39 -8.810 8.288 -4.582 1.00 0.00 C ATOM 610 NZ LYS A 39 -9.695 9.281 -5.231 1.00 0.00 N ATOM 0 H LYS A 39 -4.077 8.489 -3.007 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.760 6.335 -1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.028 5.880 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.272 6.499 -3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.358 8.539 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.417 7.801 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.379 9.079 -3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.373 9.890 -4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.670 7.431 -5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.278 7.916 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.660 9.183 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.344 10.240 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.704 9.119 -6.258 1.00 0.00 H new ATOM 624 N ALA A 40 -4.053 4.697 -2.650 1.00 0.00 N ATOM 625 CA ALA A 40 -2.920 3.805 -2.831 1.00 0.00 C ATOM 626 C ALA A 40 -3.367 2.573 -3.620 1.00 0.00 C ATOM 627 O ALA A 40 -4.479 2.081 -3.432 1.00 0.00 O ATOM 628 CB ALA A 40 -2.333 3.442 -1.466 1.00 0.00 C ATOM 0 H ALA A 40 -4.868 4.268 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.133 4.295 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.483 2.773 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.004 4.349 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.093 2.945 -0.863 1.00 0.00 H new ATOM 634 N VAL A 41 -2.478 2.109 -4.486 1.00 0.00 N ATOM 635 CA VAL A 41 -2.768 0.943 -5.304 1.00 0.00 C ATOM 636 C VAL A 41 -1.756 -0.160 -4.987 1.00 0.00 C ATOM 637 O VAL A 41 -0.578 0.117 -4.769 1.00 0.00 O ATOM 638 CB VAL A 41 -2.784 1.333 -6.783 1.00 0.00 C ATOM 639 CG1 VAL A 41 -2.674 0.097 -7.677 1.00 0.00 C ATOM 640 CG2 VAL A 41 -4.035 2.146 -7.122 1.00 0.00 C ATOM 0 H VAL A 41 -1.557 2.519 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.759 0.551 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.914 1.962 -6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.688 0.402 -8.723 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.741 -0.425 -7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.515 -0.569 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.022 2.410 -8.179 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.924 1.553 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.052 3.055 -6.521 1.00 0.00 H new ATOM 650 N VAL A 42 -2.254 -1.388 -4.972 1.00 0.00 N ATOM 651 CA VAL A 42 -1.408 -2.535 -4.686 1.00 0.00 C ATOM 652 C VAL A 42 -1.890 -3.735 -5.503 1.00 0.00 C ATOM 653 O VAL A 42 -3.069 -3.825 -5.845 1.00 0.00 O ATOM 654 CB VAL A 42 -1.387 -2.806 -3.180 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.619 -4.092 -2.866 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.800 -1.617 -2.417 1.00 0.00 C ATOM 0 H VAL A 42 -3.232 -1.614 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.378 -2.334 -4.981 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.417 -2.941 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.619 -4.262 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.099 -4.933 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.408 -3.998 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.797 -1.836 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.221 -1.437 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.405 -0.730 -2.604 1.00 0.00 H new ATOM 666 N LYS A 43 -0.955 -4.628 -5.792 1.00 0.00 N ATOM 667 CA LYS A 43 -1.270 -5.819 -6.563 1.00 0.00 C ATOM 668 C LYS A 43 -0.784 -7.055 -5.804 1.00 0.00 C ATOM 669 O LYS A 43 0.141 -7.735 -6.245 1.00 0.00 O ATOM 670 CB LYS A 43 -0.704 -5.705 -7.980 1.00 0.00 C ATOM 671 CG LYS A 43 -1.397 -6.687 -8.927 1.00 0.00 C ATOM 672 CD LYS A 43 -0.953 -6.459 -10.373 1.00 0.00 C ATOM 673 CE LYS A 43 -2.142 -6.554 -11.333 1.00 0.00 C ATOM 674 NZ LYS A 43 -2.668 -5.206 -11.641 1.00 0.00 N ATOM 0 H LYS A 43 0.021 -4.551 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.349 -5.922 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.834 -4.687 -8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.368 -5.904 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.166 -7.710 -8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.478 -6.569 -8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.485 -5.479 -10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.200 -7.198 -10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.835 -7.050 -12.254 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.928 -7.165 -10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.474 -5.288 -12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.980 -4.746 -10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.921 -4.635 -12.085 1.00 0.00 H new ATOM 688 N PHE A 44 -1.430 -7.308 -4.675 1.00 0.00 N ATOM 689 CA PHE A 44 -1.075 -8.451 -3.850 1.00 0.00 C ATOM 690 C PHE A 44 -2.166 -9.522 -3.899 1.00 0.00 C ATOM 691 O PHE A 44 -3.028 -9.496 -4.776 1.00 0.00 O ATOM 692 CB PHE A 44 -0.942 -7.941 -2.413 1.00 0.00 C ATOM 693 CG PHE A 44 -2.280 -7.681 -1.719 1.00 0.00 C ATOM 694 CD1 PHE A 44 -2.925 -6.498 -1.907 1.00 0.00 C ATOM 695 CD2 PHE A 44 -2.824 -8.632 -0.913 1.00 0.00 C ATOM 696 CE1 PHE A 44 -4.167 -6.257 -1.262 1.00 0.00 C ATOM 697 CE2 PHE A 44 -4.066 -8.390 -0.269 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.711 -7.208 -0.457 1.00 0.00 C ATOM 0 H PHE A 44 -2.197 -6.742 -4.312 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.148 -8.897 -4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.378 -8.669 -1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.362 -7.018 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.493 -5.743 -2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.311 -9.571 -0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.680 -5.318 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.499 -9.145 0.370 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.656 -7.024 0.033 1.00 0.00 H new ATOM 708 N ASP A 45 -2.093 -10.440 -2.946 1.00 0.00 N ATOM 709 CA ASP A 45 -3.064 -11.518 -2.870 1.00 0.00 C ATOM 710 C ASP A 45 -3.363 -11.827 -1.401 1.00 0.00 C ATOM 711 O ASP A 45 -2.471 -11.766 -0.557 1.00 0.00 O ATOM 712 CB ASP A 45 -2.523 -12.793 -3.520 1.00 0.00 C ATOM 713 CG ASP A 45 -3.591 -13.763 -4.028 1.00 0.00 C ATOM 714 OD1 ASP A 45 -4.055 -14.580 -3.203 1.00 0.00 O ATOM 715 OD2 ASP A 45 -3.920 -13.667 -5.230 1.00 0.00 O ATOM 0 H ASP A 45 -1.377 -10.459 -2.220 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.964 -11.199 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.881 -12.513 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.895 -13.314 -2.797 1.00 0.00 H new ATOM 720 N GLU A 46 -4.621 -12.152 -1.142 1.00 0.00 N ATOM 721 CA GLU A 46 -5.048 -12.470 0.209 1.00 0.00 C ATOM 722 C GLU A 46 -4.471 -13.818 0.645 1.00 0.00 C ATOM 723 O GLU A 46 -4.610 -14.212 1.802 1.00 0.00 O ATOM 724 CB GLU A 46 -6.575 -12.467 0.317 1.00 0.00 C ATOM 725 CG GLU A 46 -7.030 -11.838 1.635 1.00 0.00 C ATOM 726 CD GLU A 46 -8.556 -11.864 1.756 1.00 0.00 C ATOM 727 OE1 GLU A 46 -9.147 -12.853 1.271 1.00 0.00 O ATOM 728 OE2 GLU A 46 -9.096 -10.894 2.331 1.00 0.00 O ATOM 0 H GLU A 46 -5.358 -12.202 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.667 -11.700 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.001 -11.914 -0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.950 -13.488 0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.586 -12.377 2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.674 -10.809 1.693 1.00 0.00 H new ATOM 735 N ALA A 47 -3.834 -14.488 -0.304 1.00 0.00 N ATOM 736 CA ALA A 47 -3.235 -15.783 -0.032 1.00 0.00 C ATOM 737 C ALA A 47 -1.852 -15.580 0.590 1.00 0.00 C ATOM 738 O ALA A 47 -1.301 -16.496 1.199 1.00 0.00 O ATOM 739 CB ALA A 47 -3.178 -16.601 -1.325 1.00 0.00 C ATOM 0 H ALA A 47 -3.720 -14.158 -1.262 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.839 -16.343 0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.729 -17.573 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.188 -16.742 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.577 -16.071 -2.064 1.00 0.00 H new ATOM 745 N ASN A 48 -1.331 -14.374 0.416 1.00 0.00 N ATOM 746 CA ASN A 48 -0.024 -14.040 0.953 1.00 0.00 C ATOM 747 C ASN A 48 -0.187 -13.022 2.084 1.00 0.00 C ATOM 748 O ASN A 48 0.267 -13.254 3.204 1.00 0.00 O ATOM 749 CB ASN A 48 0.869 -13.414 -0.120 1.00 0.00 C ATOM 750 CG ASN A 48 0.298 -13.657 -1.518 1.00 0.00 C ATOM 751 OD1 ASN A 48 0.164 -12.754 -2.328 1.00 0.00 O ATOM 752 ND2 ASN A 48 -0.031 -14.923 -1.756 1.00 0.00 N ATOM 0 H ASN A 48 -1.791 -13.617 -0.089 1.00 0.00 H new ATOM 0 HA ASN A 48 0.437 -14.959 1.315 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.961 -12.343 0.058 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.872 -13.835 -0.055 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.421 -15.187 -2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.107 -15.630 -1.034 1.00 0.00 H new ATOM 759 N VAL A 49 -0.836 -11.916 1.752 1.00 0.00 N ATOM 760 CA VAL A 49 -1.065 -10.862 2.726 1.00 0.00 C ATOM 761 C VAL A 49 -2.439 -10.235 2.479 1.00 0.00 C ATOM 762 O VAL A 49 -2.993 -10.355 1.387 1.00 0.00 O ATOM 763 CB VAL A 49 0.075 -9.843 2.672 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.314 -8.546 3.384 1.00 0.00 C ATOM 765 CG2 VAL A 49 1.361 -10.428 3.262 1.00 0.00 C ATOM 0 H VAL A 49 -1.211 -11.727 0.822 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.071 -11.271 3.737 1.00 0.00 H new ATOM 0 HB VAL A 49 0.263 -9.606 1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.514 -7.839 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.191 -8.115 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.543 -8.759 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.156 -9.684 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.190 -10.707 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.654 -11.310 2.693 1.00 0.00 H new ATOM 775 N GLN A 50 -2.949 -9.579 3.511 1.00 0.00 N ATOM 776 CA GLN A 50 -4.247 -8.933 3.420 1.00 0.00 C ATOM 777 C GLN A 50 -4.077 -7.425 3.224 1.00 0.00 C ATOM 778 O GLN A 50 -3.147 -6.826 3.763 1.00 0.00 O ATOM 779 CB GLN A 50 -5.097 -9.233 4.657 1.00 0.00 C ATOM 780 CG GLN A 50 -4.998 -10.709 5.045 1.00 0.00 C ATOM 781 CD GLN A 50 -6.254 -11.165 5.791 1.00 0.00 C ATOM 782 OE1 GLN A 50 -6.985 -10.377 6.367 1.00 0.00 O ATOM 783 NE2 GLN A 50 -6.463 -12.478 5.747 1.00 0.00 N ATOM 0 H GLN A 50 -2.486 -9.481 4.415 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.771 -9.335 2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.766 -8.612 5.489 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.137 -8.974 4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.862 -11.316 4.150 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.121 -10.866 5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.811 -13.082 5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.276 -12.881 6.214 1.00 0.00 H new ATOM 792 N ALA A 51 -4.989 -6.855 2.451 1.00 0.00 N ATOM 793 CA ALA A 51 -4.952 -5.428 2.177 1.00 0.00 C ATOM 794 C ALA A 51 -4.962 -4.659 3.499 1.00 0.00 C ATOM 795 O ALA A 51 -4.195 -3.714 3.678 1.00 0.00 O ATOM 796 CB ALA A 51 -6.127 -5.051 1.273 1.00 0.00 C ATOM 0 H ALA A 51 -5.758 -7.355 2.005 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.037 -5.162 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.099 -3.981 1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.056 -5.602 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.064 -5.301 1.771 1.00 0.00 H new ATOM 802 N THR A 52 -5.841 -5.092 4.392 1.00 0.00 N ATOM 803 CA THR A 52 -5.962 -4.455 5.692 1.00 0.00 C ATOM 804 C THR A 52 -4.595 -4.374 6.376 1.00 0.00 C ATOM 805 O THR A 52 -4.291 -3.391 7.049 1.00 0.00 O ATOM 806 CB THR A 52 -7.002 -5.231 6.503 1.00 0.00 C ATOM 807 OG1 THR A 52 -8.118 -4.349 6.571 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.585 -5.417 7.964 1.00 0.00 C ATOM 0 H THR A 52 -6.476 -5.876 4.240 1.00 0.00 H new ATOM 0 HA THR A 52 -6.304 -3.425 5.597 1.00 0.00 H new ATOM 0 HB THR A 52 -7.165 -6.206 6.045 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.840 -4.774 7.079 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.357 -5.973 8.495 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.646 -5.969 8.007 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.454 -4.441 8.432 1.00 0.00 H new ATOM 816 N GLU A 53 -3.808 -5.422 6.178 1.00 0.00 N ATOM 817 CA GLU A 53 -2.481 -5.481 6.767 1.00 0.00 C ATOM 818 C GLU A 53 -1.592 -4.380 6.186 1.00 0.00 C ATOM 819 O GLU A 53 -0.866 -3.711 6.920 1.00 0.00 O ATOM 820 CB GLU A 53 -1.850 -6.860 6.560 1.00 0.00 C ATOM 821 CG GLU A 53 -1.358 -7.443 7.886 1.00 0.00 C ATOM 822 CD GLU A 53 0.161 -7.311 8.013 1.00 0.00 C ATOM 823 OE1 GLU A 53 0.652 -6.182 7.798 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.796 -8.343 8.321 1.00 0.00 O ATOM 0 H GLU A 53 -4.064 -6.236 5.619 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.574 -5.317 7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.580 -7.534 6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.017 -6.781 5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.842 -6.928 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.642 -8.493 7.953 1.00 0.00 H new ATOM 831 N ILE A 54 -1.679 -4.224 4.873 1.00 0.00 N ATOM 832 CA ILE A 54 -0.892 -3.214 4.186 1.00 0.00 C ATOM 833 C ILE A 54 -1.271 -1.830 4.716 1.00 0.00 C ATOM 834 O ILE A 54 -0.413 -0.961 4.860 1.00 0.00 O ATOM 835 CB ILE A 54 -1.046 -3.356 2.670 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.431 -4.667 2.176 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.464 -2.141 1.944 1.00 0.00 C ATOM 838 CD1 ILE A 54 -0.786 -4.921 0.710 1.00 0.00 C ATOM 0 H ILE A 54 -2.282 -4.780 4.267 1.00 0.00 H new ATOM 0 HA ILE A 54 0.170 -3.353 4.390 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.110 -3.392 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.652 -4.630 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.789 -5.494 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.586 -2.267 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.987 -1.240 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.596 -2.049 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.336 -5.859 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.869 -4.981 0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.406 -4.104 0.097 1.00 0.00 H new ATOM 850 N CYS A 55 -2.557 -1.668 4.991 1.00 0.00 N ATOM 851 CA CYS A 55 -3.060 -0.405 5.502 1.00 0.00 C ATOM 852 C CYS A 55 -2.415 -0.147 6.865 1.00 0.00 C ATOM 853 O CYS A 55 -2.043 0.984 7.175 1.00 0.00 O ATOM 854 CB CYS A 55 -4.588 -0.395 5.582 1.00 0.00 C ATOM 855 SG CYS A 55 -5.267 0.851 4.427 1.00 0.00 S ATOM 0 H CYS A 55 -3.266 -2.391 4.869 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.793 0.400 4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.980 -1.382 5.336 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.906 -0.170 6.600 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.355 1.183 3.562 1.00 0.00 H new ATOM 861 N GLN A 56 -2.302 -1.214 7.642 1.00 0.00 N ATOM 862 CA GLN A 56 -1.709 -1.117 8.965 1.00 0.00 C ATOM 863 C GLN A 56 -0.267 -0.615 8.864 1.00 0.00 C ATOM 864 O GLN A 56 0.081 0.406 9.455 1.00 0.00 O ATOM 865 CB GLN A 56 -1.772 -2.461 9.694 1.00 0.00 C ATOM 866 CG GLN A 56 -2.212 -2.276 11.147 1.00 0.00 C ATOM 867 CD GLN A 56 -1.013 -1.979 12.050 1.00 0.00 C ATOM 868 OE1 GLN A 56 -0.124 -2.795 12.233 1.00 0.00 O ATOM 869 NE2 GLN A 56 -1.037 -0.769 12.601 1.00 0.00 N ATOM 0 H GLN A 56 -2.611 -2.150 7.381 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.284 -0.398 9.548 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.468 -3.125 9.181 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.794 -2.941 9.665 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.931 -1.460 11.212 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.719 -3.176 11.494 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.812 -0.135 12.406 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.281 -0.475 13.219 1.00 0.00 H new ATOM 878 N ALA A 57 0.533 -1.356 8.111 1.00 0.00 N ATOM 879 CA ALA A 57 1.929 -0.999 7.925 1.00 0.00 C ATOM 880 C ALA A 57 2.016 0.402 7.317 1.00 0.00 C ATOM 881 O ALA A 57 3.043 1.069 7.429 1.00 0.00 O ATOM 882 CB ALA A 57 2.615 -2.055 7.056 1.00 0.00 C ATOM 0 H ALA A 57 0.241 -2.202 7.622 1.00 0.00 H new ATOM 0 HA ALA A 57 2.450 -0.976 8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.662 -1.787 6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.551 -3.027 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.121 -2.105 6.086 1.00 0.00 H new ATOM 888 N ILE A 58 0.923 0.808 6.686 1.00 0.00 N ATOM 889 CA ILE A 58 0.863 2.118 6.060 1.00 0.00 C ATOM 890 C ILE A 58 0.729 3.190 7.143 1.00 0.00 C ATOM 891 O ILE A 58 1.589 4.060 7.270 1.00 0.00 O ATOM 892 CB ILE A 58 -0.250 2.160 5.011 1.00 0.00 C ATOM 893 CG1 ILE A 58 0.249 1.642 3.661 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.847 3.564 4.901 1.00 0.00 C ATOM 895 CD1 ILE A 58 -0.920 1.215 2.771 1.00 0.00 C ATOM 0 H ILE A 58 0.072 0.253 6.595 1.00 0.00 H new ATOM 0 HA ILE A 58 1.786 2.325 5.519 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.050 1.495 5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.827 2.419 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.919 0.797 3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.636 3.566 4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.264 3.859 5.864 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.068 4.269 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.537 0.851 1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.481 0.421 3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.575 2.068 2.597 1.00 0.00 H new ATOM 907 N ASN A 59 -0.357 3.092 7.896 1.00 0.00 N ATOM 908 CA ASN A 59 -0.615 4.043 8.964 1.00 0.00 C ATOM 909 C ASN A 59 0.446 3.879 10.054 1.00 0.00 C ATOM 910 O ASN A 59 0.792 4.841 10.738 1.00 0.00 O ATOM 911 CB ASN A 59 -1.986 3.801 9.598 1.00 0.00 C ATOM 912 CG ASN A 59 -1.934 2.635 10.587 1.00 0.00 C ATOM 913 OD1 ASN A 59 -1.164 2.624 11.533 1.00 0.00 O ATOM 914 ND2 ASN A 59 -2.796 1.658 10.318 1.00 0.00 N ATOM 0 H ASN A 59 -1.068 2.369 7.788 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.588 5.045 8.537 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.318 4.704 10.111 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.719 3.590 8.819 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.840 0.836 10.921 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.413 1.731 9.509 1.00 0.00 H new ATOM 921 N GLU A 60 0.931 2.653 10.183 1.00 0.00 N ATOM 922 CA GLU A 60 1.945 2.351 11.179 1.00 0.00 C ATOM 923 C GLU A 60 3.096 3.355 11.087 1.00 0.00 C ATOM 924 O GLU A 60 3.856 3.522 12.039 1.00 0.00 O ATOM 925 CB GLU A 60 2.455 0.917 11.024 1.00 0.00 C ATOM 926 CG GLU A 60 3.370 0.531 12.188 1.00 0.00 C ATOM 927 CD GLU A 60 4.374 -0.543 11.765 1.00 0.00 C ATOM 928 OE1 GLU A 60 3.939 -1.707 11.634 1.00 0.00 O ATOM 929 OE2 GLU A 60 5.555 -0.174 11.581 1.00 0.00 O ATOM 0 H GLU A 60 0.641 1.857 9.615 1.00 0.00 H new ATOM 0 HA GLU A 60 1.493 2.437 12.167 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.610 0.230 10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.997 0.820 10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.904 1.413 12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.770 0.165 13.021 1.00 0.00 H new ATOM 936 N LEU A 61 3.187 3.998 9.932 1.00 0.00 N ATOM 937 CA LEU A 61 4.231 4.982 9.704 1.00 0.00 C ATOM 938 C LEU A 61 3.904 6.258 10.482 1.00 0.00 C ATOM 939 O LEU A 61 4.572 6.580 11.463 1.00 0.00 O ATOM 940 CB LEU A 61 4.433 5.210 8.205 1.00 0.00 C ATOM 941 CG LEU A 61 4.474 3.953 7.334 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.064 4.270 5.894 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.847 3.282 7.404 1.00 0.00 C ATOM 0 H LEU A 61 2.555 3.857 9.144 1.00 0.00 H new ATOM 0 HA LEU A 61 5.187 4.617 10.080 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.629 5.852 7.844 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.365 5.756 8.063 1.00 0.00 H new ATOM 0 HG LEU A 61 3.747 3.242 7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.102 3.359 5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.050 4.669 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.748 5.008 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.849 2.391 6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.610 3.976 7.051 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.062 3.000 8.435 1.00 0.00 H new ATOM 955 N GLY A 62 2.875 6.950 10.015 1.00 0.00 N ATOM 956 CA GLY A 62 2.451 8.183 10.655 1.00 0.00 C ATOM 957 C GLY A 62 1.395 8.902 9.813 1.00 0.00 C ATOM 958 O GLY A 62 1.392 10.130 9.730 1.00 0.00 O ATOM 0 H GLY A 62 2.323 6.680 9.201 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.046 7.964 11.643 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.312 8.836 10.801 1.00 0.00 H new ATOM 962 N TYR A 63 0.522 8.108 9.211 1.00 0.00 N ATOM 963 CA TYR A 63 -0.537 8.653 8.379 1.00 0.00 C ATOM 964 C TYR A 63 -1.809 7.811 8.489 1.00 0.00 C ATOM 965 O TYR A 63 -1.836 6.810 9.203 1.00 0.00 O ATOM 966 CB TYR A 63 -0.019 8.588 6.941 1.00 0.00 C ATOM 967 CG TYR A 63 1.506 8.629 6.826 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.196 9.762 7.208 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.192 7.535 6.340 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.632 9.802 7.100 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.628 7.574 6.232 1.00 0.00 C ATOM 972 CZ TYR A 63 4.276 8.706 6.618 1.00 0.00 C ATOM 973 OH TYR A 63 5.632 8.743 6.516 1.00 0.00 O ATOM 0 H TYR A 63 0.526 7.091 9.283 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.784 9.668 8.689 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.384 7.672 6.476 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.438 9.421 6.377 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.659 10.619 7.588 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.652 6.649 6.040 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.184 10.682 7.395 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.177 6.725 5.853 1.00 0.00 H new ATOM 0 HH TYR A 63 5.956 7.891 6.157 1.00 0.00 H new ATOM 983 N GLN A 64 -2.834 8.247 7.771 1.00 0.00 N ATOM 984 CA GLN A 64 -4.106 7.546 7.779 1.00 0.00 C ATOM 985 C GLN A 64 -4.298 6.780 6.468 1.00 0.00 C ATOM 986 O GLN A 64 -3.927 7.266 5.401 1.00 0.00 O ATOM 987 CB GLN A 64 -5.265 8.515 8.022 1.00 0.00 C ATOM 988 CG GLN A 64 -6.156 8.028 9.166 1.00 0.00 C ATOM 989 CD GLN A 64 -5.726 8.645 10.498 1.00 0.00 C ATOM 990 OE1 GLN A 64 -4.621 9.139 10.654 1.00 0.00 O ATOM 991 NE2 GLN A 64 -6.657 8.589 11.446 1.00 0.00 N ATOM 0 H GLN A 64 -2.809 9.078 7.180 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.098 6.828 8.599 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.873 9.504 8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.857 8.615 7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.194 8.288 8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.107 6.941 9.232 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.561 8.161 11.248 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.467 8.974 12.371 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.878 5.595 6.592 1.00 0.00 N ATOM 1001 CA ALA A 65 -5.124 4.757 5.431 1.00 0.00 C ATOM 1002 C ALA A 65 -6.403 3.948 5.653 1.00 0.00 C ATOM 1003 O ALA A 65 -6.747 3.622 6.788 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.907 3.865 5.178 1.00 0.00 C ATOM 0 H ALA A 65 -5.185 5.195 7.479 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.271 5.369 4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.092 3.236 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.031 4.488 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.730 3.235 6.050 1.00 0.00 H new ATOM 1010 N GLU A 66 -7.074 3.647 4.550 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.308 2.883 4.610 1.00 0.00 C ATOM 1012 C GLU A 66 -8.528 2.127 3.298 1.00 0.00 C ATOM 1013 O GLU A 66 -8.516 2.725 2.223 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.499 3.789 4.927 1.00 0.00 C ATOM 1015 CG GLU A 66 -10.196 4.248 3.644 1.00 0.00 C ATOM 1016 CD GLU A 66 -11.171 5.392 3.929 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -11.876 5.293 4.957 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -11.190 6.338 3.113 1.00 0.00 O ATOM 0 H GLU A 66 -6.786 3.919 3.610 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.223 2.155 5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.208 3.255 5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.160 4.658 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.451 4.573 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.733 3.411 3.198 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.723 0.823 3.429 1.00 0.00 N ATOM 1026 CA VAL A 67 -8.945 -0.021 2.267 1.00 0.00 C ATOM 1027 C VAL A 67 -10.308 0.309 1.656 1.00 0.00 C ATOM 1028 O VAL A 67 -11.238 0.683 2.369 1.00 0.00 O ATOM 1029 CB VAL A 67 -8.805 -1.494 2.656 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.148 -2.407 1.477 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.402 -1.790 3.189 1.00 0.00 C ATOM 0 H VAL A 67 -8.732 0.330 4.322 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.191 0.173 1.504 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.517 -1.698 3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.041 -3.448 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.176 -2.225 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.472 -2.199 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.330 -2.844 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.665 -1.561 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.210 -1.177 4.070 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.384 0.158 0.342 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.618 0.436 -0.374 1.00 0.00 C ATOM 1043 C ILE A 68 -12.066 -0.824 -1.117 1.00 0.00 C ATOM 1044 O ILE A 68 -11.978 -0.891 -2.342 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.449 1.657 -1.280 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -10.108 2.349 -1.023 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -12.629 2.619 -1.129 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -9.940 3.571 -1.928 1.00 0.00 C ATOM 0 H ILE A 68 -9.611 -0.153 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.414 0.695 0.325 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.442 1.316 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.046 2.654 0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.293 1.647 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.484 3.478 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.552 2.108 -1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.692 2.957 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.979 4.044 -1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.978 3.259 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.743 4.282 -1.733 1.00 0.00 H new TER 1060 ILE A 68