USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 531 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.2) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0822 USER MOD Single : A 30 THR OG1 : rot -70:sc= -0.0109 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 39 ASN : amide:sc= -0.926 K(o=-0.93,f=-1.5) USER MOD Single : A 41 ASN : amide:sc= -0.0625 K(o=-0.063,f=-1.6!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -4.73! C(o=-4.7!,f=-16!) USER MOD Single : A 52 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 61 THR OG1 : rot -58:sc= 1.13 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.821 K(o=-0.82,f=-3.7) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0374) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.278 23.437 -9.638 1.00 0.00 N ATOM 2 CA GLY A 1 12.042 23.192 -8.918 1.00 0.00 C ATOM 3 C GLY A 1 12.281 22.746 -7.489 1.00 0.00 C ATOM 4 O GLY A 1 11.844 21.668 -7.087 1.00 0.00 O ATOM 0 H1 GLY A 1 13.060 23.739 -10.609 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.818 24.184 -9.156 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.843 22.564 -9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.440 24.101 -8.916 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.465 22.429 -9.442 1.00 0.00 H new ATOM 8 N SER A 2 12.977 23.577 -6.720 1.00 0.00 N ATOM 9 CA SER A 2 13.278 23.260 -5.329 1.00 0.00 C ATOM 10 C SER A 2 12.013 23.300 -4.477 1.00 0.00 C ATOM 11 O SER A 2 11.153 24.161 -4.662 1.00 0.00 O ATOM 12 CB SER A 2 14.312 24.241 -4.773 1.00 0.00 C ATOM 13 OG SER A 2 15.034 23.666 -3.697 1.00 0.00 O ATOM 0 H SER A 2 13.343 24.475 -7.037 1.00 0.00 H new ATOM 0 HA SER A 2 13.688 22.251 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.003 24.533 -5.564 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.812 25.149 -4.436 1.00 0.00 H new ATOM 0 HG SER A 2 15.689 24.312 -3.361 1.00 0.00 H new ATOM 19 N SER A 3 11.907 22.361 -3.542 1.00 0.00 N ATOM 20 CA SER A 3 10.746 22.284 -2.663 1.00 0.00 C ATOM 21 C SER A 3 10.381 23.664 -2.125 1.00 0.00 C ATOM 22 O SER A 3 11.064 24.205 -1.256 1.00 0.00 O ATOM 23 CB SER A 3 11.022 21.328 -1.501 1.00 0.00 C ATOM 24 OG SER A 3 11.409 20.049 -1.974 1.00 0.00 O ATOM 0 H SER A 3 12.611 21.643 -3.374 1.00 0.00 H new ATOM 0 HA SER A 3 9.905 21.905 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.808 21.738 -0.867 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.130 21.236 -0.882 1.00 0.00 H new ATOM 0 HG SER A 3 11.581 19.457 -1.212 1.00 0.00 H new ATOM 30 N GLY A 4 9.297 24.229 -2.649 1.00 0.00 N ATOM 31 CA GLY A 4 8.858 25.541 -2.210 1.00 0.00 C ATOM 32 C GLY A 4 7.434 25.533 -1.693 1.00 0.00 C ATOM 33 O GLY A 4 6.812 24.477 -1.583 1.00 0.00 O ATOM 0 H GLY A 4 8.715 23.801 -3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.524 25.900 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.936 26.243 -3.040 1.00 0.00 H new ATOM 37 N SER A 5 6.916 26.715 -1.372 1.00 0.00 N ATOM 38 CA SER A 5 5.557 26.839 -0.857 1.00 0.00 C ATOM 39 C SER A 5 4.625 25.842 -1.539 1.00 0.00 C ATOM 40 O SER A 5 3.976 25.030 -0.879 1.00 0.00 O ATOM 41 CB SER A 5 5.039 28.264 -1.065 1.00 0.00 C ATOM 42 OG SER A 5 3.636 28.328 -0.879 1.00 0.00 O ATOM 0 H SER A 5 7.416 27.599 -1.459 1.00 0.00 H new ATOM 0 HA SER A 5 5.577 26.619 0.210 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.533 28.940 -0.367 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.292 28.603 -2.069 1.00 0.00 H new ATOM 0 HG SER A 5 3.330 29.249 -1.016 1.00 0.00 H new ATOM 48 N SER A 6 4.563 25.911 -2.865 1.00 0.00 N ATOM 49 CA SER A 6 3.707 25.018 -3.638 1.00 0.00 C ATOM 50 C SER A 6 4.217 23.582 -3.568 1.00 0.00 C ATOM 51 O SER A 6 5.421 23.342 -3.490 1.00 0.00 O ATOM 52 CB SER A 6 3.639 25.478 -5.096 1.00 0.00 C ATOM 53 OG SER A 6 3.222 26.829 -5.186 1.00 0.00 O ATOM 0 H SER A 6 5.095 26.576 -3.426 1.00 0.00 H new ATOM 0 HA SER A 6 2.706 25.051 -3.208 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.618 25.364 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.947 24.843 -5.649 1.00 0.00 H new ATOM 0 HG SER A 6 3.188 27.099 -6.127 1.00 0.00 H new ATOM 59 N GLY A 7 3.290 22.629 -3.597 1.00 0.00 N ATOM 60 CA GLY A 7 3.664 21.228 -3.537 1.00 0.00 C ATOM 61 C GLY A 7 2.694 20.404 -2.714 1.00 0.00 C ATOM 62 O GLY A 7 2.358 20.771 -1.588 1.00 0.00 O ATOM 0 H GLY A 7 2.287 22.802 -3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.712 20.824 -4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.663 21.140 -3.111 1.00 0.00 H new ATOM 66 N MET A 8 2.242 19.289 -3.276 1.00 0.00 N ATOM 67 CA MET A 8 1.304 18.411 -2.586 1.00 0.00 C ATOM 68 C MET A 8 1.756 16.957 -2.674 1.00 0.00 C ATOM 69 O MET A 8 2.102 16.468 -3.749 1.00 0.00 O ATOM 70 CB MET A 8 -0.097 18.558 -3.182 1.00 0.00 C ATOM 71 CG MET A 8 -1.098 17.553 -2.636 1.00 0.00 C ATOM 72 SD MET A 8 -2.776 17.855 -3.222 1.00 0.00 S ATOM 73 CE MET A 8 -3.724 17.464 -1.753 1.00 0.00 C ATOM 0 H MET A 8 2.510 18.971 -4.208 1.00 0.00 H new ATOM 0 HA MET A 8 1.277 18.702 -1.536 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.463 19.566 -2.986 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.036 18.446 -4.265 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.792 16.548 -2.925 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.086 17.589 -1.547 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.786 17.603 -1.957 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.542 16.428 -1.468 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.422 18.123 -0.939 1.00 0.00 H new ATOM 83 N ALA A 9 1.750 16.270 -1.536 1.00 0.00 N ATOM 84 CA ALA A 9 2.157 14.872 -1.484 1.00 0.00 C ATOM 85 C ALA A 9 1.194 14.050 -0.635 1.00 0.00 C ATOM 86 O ALA A 9 0.847 14.438 0.482 1.00 0.00 O ATOM 87 CB ALA A 9 3.574 14.754 -0.942 1.00 0.00 C ATOM 0 H ALA A 9 1.467 16.660 -0.637 1.00 0.00 H new ATOM 0 HA ALA A 9 2.134 14.475 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.865 13.704 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.259 15.300 -1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.615 15.174 0.063 1.00 0.00 H new ATOM 93 N THR A 10 0.762 12.912 -1.170 1.00 0.00 N ATOM 94 CA THR A 10 -0.163 12.036 -0.462 1.00 0.00 C ATOM 95 C THR A 10 0.543 10.782 0.041 1.00 0.00 C ATOM 96 O THR A 10 1.568 10.373 -0.504 1.00 0.00 O ATOM 97 CB THR A 10 -1.344 11.622 -1.360 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.925 12.780 -1.969 1.00 0.00 O ATOM 99 CG2 THR A 10 -2.401 10.881 -0.556 1.00 0.00 C ATOM 0 H THR A 10 1.039 12.575 -2.092 1.00 0.00 H new ATOM 0 HA THR A 10 -0.544 12.601 0.389 1.00 0.00 H new ATOM 0 HB THR A 10 -0.967 10.955 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.674 12.508 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.225 10.599 -1.211 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.963 9.985 -0.118 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.774 11.528 0.238 1.00 0.00 H new ATOM 107 N LYS A 11 -0.012 10.174 1.083 1.00 0.00 N ATOM 108 CA LYS A 11 0.562 8.964 1.659 1.00 0.00 C ATOM 109 C LYS A 11 -0.478 7.851 1.735 1.00 0.00 C ATOM 110 O LYS A 11 -1.672 8.113 1.877 1.00 0.00 O ATOM 111 CB LYS A 11 1.118 9.254 3.056 1.00 0.00 C ATOM 112 CG LYS A 11 2.215 10.305 3.068 1.00 0.00 C ATOM 113 CD LYS A 11 3.586 9.682 2.871 1.00 0.00 C ATOM 114 CE LYS A 11 3.951 9.592 1.397 1.00 0.00 C ATOM 115 NZ LYS A 11 5.408 9.353 1.200 1.00 0.00 N ATOM 0 H LYS A 11 -0.860 10.500 1.547 1.00 0.00 H new ATOM 0 HA LYS A 11 1.375 8.634 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.303 9.584 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.508 8.329 3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.029 11.035 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.192 10.845 4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.335 10.274 3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.601 8.685 3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.384 8.786 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.663 10.515 0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.616 9.298 0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.948 10.135 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.678 8.459 1.658 1.00 0.00 H new ATOM 129 N ALA A 12 -0.016 6.608 1.642 1.00 0.00 N ATOM 130 CA ALA A 12 -0.906 5.456 1.704 1.00 0.00 C ATOM 131 C ALA A 12 -0.289 4.330 2.527 1.00 0.00 C ATOM 132 O ALA A 12 0.903 4.045 2.412 1.00 0.00 O ATOM 133 CB ALA A 12 -1.235 4.967 0.301 1.00 0.00 C ATOM 0 H ALA A 12 0.970 6.374 1.523 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.829 5.767 2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.901 4.106 0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.725 5.765 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.316 4.679 -0.209 1.00 0.00 H new ATOM 139 N ARG A 13 -1.109 3.693 3.358 1.00 0.00 N ATOM 140 CA ARG A 13 -0.643 2.600 4.202 1.00 0.00 C ATOM 141 C ARG A 13 -1.100 1.253 3.649 1.00 0.00 C ATOM 142 O ARG A 13 -2.237 1.109 3.199 1.00 0.00 O ATOM 143 CB ARG A 13 -1.156 2.777 5.632 1.00 0.00 C ATOM 144 CG ARG A 13 -0.371 1.984 6.664 1.00 0.00 C ATOM 145 CD ARG A 13 -0.960 2.143 8.056 1.00 0.00 C ATOM 146 NE ARG A 13 -0.281 1.303 9.038 1.00 0.00 N ATOM 147 CZ ARG A 13 -0.738 1.092 10.267 1.00 0.00 C ATOM 148 NH1 ARG A 13 -1.870 1.657 10.663 1.00 0.00 N ATOM 149 NH2 ARG A 13 -0.062 0.314 11.103 1.00 0.00 N ATOM 0 H ARG A 13 -2.099 3.916 3.464 1.00 0.00 H new ATOM 0 HA ARG A 13 0.447 2.619 4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.119 3.834 5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.202 2.475 5.673 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.367 0.930 6.388 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.667 2.317 6.667 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.890 3.187 8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.020 1.888 8.032 1.00 0.00 H new ATOM 0 HE ARG A 13 0.593 0.853 8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.392 2.256 10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.219 1.493 11.607 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.809 -0.122 10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.414 0.153 12.047 1.00 0.00 H new ATOM 163 N VAL A 14 -0.207 0.270 3.685 1.00 0.00 N ATOM 164 CA VAL A 14 -0.519 -1.065 3.188 1.00 0.00 C ATOM 165 C VAL A 14 -1.204 -1.904 4.260 1.00 0.00 C ATOM 166 O VAL A 14 -0.752 -1.958 5.404 1.00 0.00 O ATOM 167 CB VAL A 14 0.750 -1.797 2.712 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.385 -3.094 2.006 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.573 -0.898 1.802 1.00 0.00 C ATOM 0 H VAL A 14 0.739 0.373 4.053 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.195 -0.938 2.343 1.00 0.00 H new ATOM 0 HB VAL A 14 1.355 -2.044 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.294 -3.597 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.160 -3.741 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.241 -2.874 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.466 -1.431 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.978 -0.618 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.865 0.000 2.346 1.00 0.00 H new ATOM 179 N MET A 15 -2.298 -2.558 3.883 1.00 0.00 N ATOM 180 CA MET A 15 -3.046 -3.396 4.813 1.00 0.00 C ATOM 181 C MET A 15 -2.727 -4.872 4.591 1.00 0.00 C ATOM 182 O MET A 15 -2.942 -5.702 5.474 1.00 0.00 O ATOM 183 CB MET A 15 -4.548 -3.158 4.653 1.00 0.00 C ATOM 184 CG MET A 15 -4.913 -1.696 4.449 1.00 0.00 C ATOM 185 SD MET A 15 -6.634 -1.346 4.859 1.00 0.00 S ATOM 186 CE MET A 15 -7.405 -1.511 3.251 1.00 0.00 C ATOM 0 H MET A 15 -2.686 -2.524 2.940 1.00 0.00 H new ATOM 0 HA MET A 15 -2.749 -3.126 5.826 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.911 -3.737 3.804 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.063 -3.533 5.537 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.263 -1.074 5.065 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.728 -1.421 3.411 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.475 -1.323 3.340 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.966 -0.790 2.561 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.244 -2.520 2.872 1.00 0.00 H new ATOM 196 N TYR A 16 -2.215 -5.190 3.408 1.00 0.00 N ATOM 197 CA TYR A 16 -1.869 -6.565 3.069 1.00 0.00 C ATOM 198 C TYR A 16 -0.543 -6.625 2.317 1.00 0.00 C ATOM 199 O TYR A 16 -0.127 -5.650 1.692 1.00 0.00 O ATOM 200 CB TYR A 16 -2.977 -7.199 2.225 1.00 0.00 C ATOM 201 CG TYR A 16 -4.333 -7.179 2.892 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.732 -8.211 3.732 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.217 -6.127 2.683 1.00 0.00 C ATOM 204 CE1 TYR A 16 -5.971 -8.197 4.343 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.457 -6.104 3.291 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.829 -7.141 4.120 1.00 0.00 C ATOM 207 OH TYR A 16 -8.064 -7.123 4.727 1.00 0.00 O ATOM 0 H TYR A 16 -2.030 -4.514 2.667 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.764 -7.125 3.998 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.042 -6.673 1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.707 -8.231 2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.062 -9.039 3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.929 -5.313 2.034 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.266 -9.009 4.992 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.131 -5.278 3.118 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.545 -6.310 4.467 1.00 0.00 H new ATOM 217 N ASP A 17 0.115 -7.777 2.382 1.00 0.00 N ATOM 218 CA ASP A 17 1.393 -7.967 1.706 1.00 0.00 C ATOM 219 C ASP A 17 1.185 -8.262 0.224 1.00 0.00 C ATOM 220 O ASP A 17 0.905 -9.397 -0.160 1.00 0.00 O ATOM 221 CB ASP A 17 2.176 -9.106 2.361 1.00 0.00 C ATOM 222 CG ASP A 17 1.533 -10.459 2.130 1.00 0.00 C ATOM 223 OD1 ASP A 17 0.319 -10.591 2.392 1.00 0.00 O ATOM 224 OD2 ASP A 17 2.243 -11.385 1.686 1.00 0.00 O ATOM 0 H ASP A 17 -0.216 -8.594 2.896 1.00 0.00 H new ATOM 0 HA ASP A 17 1.965 -7.044 1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.192 -9.118 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.252 -8.921 3.433 1.00 0.00 H new ATOM 229 N PHE A 18 1.324 -7.232 -0.604 1.00 0.00 N ATOM 230 CA PHE A 18 1.149 -7.380 -2.044 1.00 0.00 C ATOM 231 C PHE A 18 2.494 -7.574 -2.738 1.00 0.00 C ATOM 232 O PHE A 18 3.243 -6.619 -2.942 1.00 0.00 O ATOM 233 CB PHE A 18 0.437 -6.155 -2.622 1.00 0.00 C ATOM 234 CG PHE A 18 0.156 -6.263 -4.094 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.933 -6.985 -4.554 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.983 -5.644 -5.017 1.00 0.00 C ATOM 237 CE1 PHE A 18 -1.194 -7.086 -5.907 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.727 -5.741 -6.372 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.362 -6.464 -6.817 1.00 0.00 C ATOM 0 H PHE A 18 1.557 -6.286 -0.302 1.00 0.00 H new ATOM 0 HA PHE A 18 0.537 -8.264 -2.221 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.503 -6.007 -2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.048 -5.271 -2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.586 -7.475 -3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.837 -5.079 -4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.047 -7.651 -6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.378 -5.252 -7.082 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.563 -6.543 -7.875 1.00 0.00 H new ATOM 249 N ALA A 19 2.794 -8.818 -3.097 1.00 0.00 N ATOM 250 CA ALA A 19 4.048 -9.138 -3.769 1.00 0.00 C ATOM 251 C ALA A 19 3.863 -9.187 -5.282 1.00 0.00 C ATOM 252 O ALA A 19 3.243 -10.109 -5.811 1.00 0.00 O ATOM 253 CB ALA A 19 4.597 -10.462 -3.259 1.00 0.00 C ATOM 0 H ALA A 19 2.186 -9.621 -2.934 1.00 0.00 H new ATOM 0 HA ALA A 19 4.765 -8.349 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.533 -10.688 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.776 -10.393 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.876 -11.255 -3.456 1.00 0.00 H new ATOM 259 N ALA A 20 4.404 -8.189 -5.972 1.00 0.00 N ATOM 260 CA ALA A 20 4.299 -8.120 -7.424 1.00 0.00 C ATOM 261 C ALA A 20 5.402 -8.934 -8.093 1.00 0.00 C ATOM 262 O ALA A 20 6.506 -9.052 -7.564 1.00 0.00 O ATOM 263 CB ALA A 20 4.353 -6.672 -7.889 1.00 0.00 C ATOM 0 H ALA A 20 4.919 -7.417 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 20 3.340 -8.548 -7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.274 -6.636 -8.975 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.526 -6.116 -7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.298 -6.225 -7.579 1.00 0.00 H new ATOM 269 N GLU A 21 5.094 -9.493 -9.260 1.00 0.00 N ATOM 270 CA GLU A 21 6.059 -10.297 -9.999 1.00 0.00 C ATOM 271 C GLU A 21 6.898 -9.422 -10.927 1.00 0.00 C ATOM 272 O GLU A 21 6.416 -8.451 -11.511 1.00 0.00 O ATOM 273 CB GLU A 21 5.342 -11.378 -10.810 1.00 0.00 C ATOM 274 CG GLU A 21 5.007 -12.622 -10.005 1.00 0.00 C ATOM 275 CD GLU A 21 3.847 -13.402 -10.591 1.00 0.00 C ATOM 276 OE1 GLU A 21 3.671 -13.363 -11.827 1.00 0.00 O ATOM 277 OE2 GLU A 21 3.115 -14.051 -9.815 1.00 0.00 O ATOM 0 H GLU A 21 4.184 -9.403 -9.713 1.00 0.00 H new ATOM 0 HA GLU A 21 6.723 -10.775 -9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.422 -10.962 -11.220 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.968 -11.661 -11.656 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.885 -13.266 -9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.766 -12.334 -8.982 1.00 0.00 H new ATOM 284 N PRO A 22 8.185 -9.774 -11.067 1.00 0.00 N ATOM 285 CA PRO A 22 9.119 -9.035 -11.922 1.00 0.00 C ATOM 286 C PRO A 22 8.809 -9.208 -13.404 1.00 0.00 C ATOM 287 O PRO A 22 9.323 -10.118 -14.054 1.00 0.00 O ATOM 288 CB PRO A 22 10.477 -9.655 -11.583 1.00 0.00 C ATOM 289 CG PRO A 22 10.156 -11.027 -11.097 1.00 0.00 C ATOM 290 CD PRO A 22 8.828 -10.919 -10.401 1.00 0.00 C ATOM 0 HA PRO A 22 9.070 -7.960 -11.746 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.127 -9.687 -12.457 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.997 -9.076 -10.820 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.106 -11.733 -11.926 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.926 -11.390 -10.416 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.241 -11.830 -10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.948 -10.746 -9.331 1.00 0.00 H new ATOM 298 N GLY A 23 7.965 -8.329 -13.935 1.00 0.00 N ATOM 299 CA GLY A 23 7.602 -8.402 -15.338 1.00 0.00 C ATOM 300 C GLY A 23 6.319 -7.655 -15.645 1.00 0.00 C ATOM 301 O GLY A 23 6.212 -6.988 -16.673 1.00 0.00 O ATOM 0 H GLY A 23 7.526 -7.567 -13.418 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.411 -7.991 -15.941 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.488 -9.447 -15.627 1.00 0.00 H new ATOM 305 N ASN A 24 5.342 -7.769 -14.751 1.00 0.00 N ATOM 306 CA ASN A 24 4.058 -7.100 -14.933 1.00 0.00 C ATOM 307 C ASN A 24 4.128 -5.652 -14.458 1.00 0.00 C ATOM 308 O ASN A 24 5.166 -5.192 -13.986 1.00 0.00 O ATOM 309 CB ASN A 24 2.959 -7.846 -14.173 1.00 0.00 C ATOM 310 CG ASN A 24 2.525 -9.114 -14.882 1.00 0.00 C ATOM 311 OD1 ASN A 24 1.611 -9.096 -15.707 1.00 0.00 O ATOM 312 ND2 ASN A 24 3.181 -10.224 -14.563 1.00 0.00 N ATOM 0 H ASN A 24 5.414 -8.318 -13.894 1.00 0.00 H new ATOM 0 HA ASN A 24 3.821 -7.104 -15.997 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.317 -8.096 -13.174 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.098 -7.190 -14.048 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.934 -11.108 -15.008 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.932 -10.192 -13.874 1.00 0.00 H new ATOM 319 N ASN A 25 3.013 -4.939 -14.586 1.00 0.00 N ATOM 320 CA ASN A 25 2.947 -3.543 -14.170 1.00 0.00 C ATOM 321 C ASN A 25 2.423 -3.425 -12.742 1.00 0.00 C ATOM 322 O ASN A 25 1.570 -2.588 -12.451 1.00 0.00 O ATOM 323 CB ASN A 25 2.050 -2.747 -15.121 1.00 0.00 C ATOM 324 CG ASN A 25 2.254 -1.250 -14.992 1.00 0.00 C ATOM 325 OD1 ASN A 25 2.908 -0.780 -14.060 1.00 0.00 O ATOM 326 ND2 ASN A 25 1.695 -0.494 -15.929 1.00 0.00 N ATOM 0 H ASN A 25 2.144 -5.305 -14.974 1.00 0.00 H new ATOM 0 HA ASN A 25 3.956 -3.132 -14.203 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.253 -3.051 -16.148 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.006 -2.987 -14.918 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.799 0.520 -15.895 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.162 -0.927 -16.683 1.00 0.00 H new ATOM 333 N GLU A 26 2.941 -4.270 -11.856 1.00 0.00 N ATOM 334 CA GLU A 26 2.526 -4.260 -10.458 1.00 0.00 C ATOM 335 C GLU A 26 3.719 -4.025 -9.537 1.00 0.00 C ATOM 336 O GLU A 26 4.792 -4.598 -9.733 1.00 0.00 O ATOM 337 CB GLU A 26 1.841 -5.580 -10.097 1.00 0.00 C ATOM 338 CG GLU A 26 0.533 -5.808 -10.836 1.00 0.00 C ATOM 339 CD GLU A 26 -0.085 -7.158 -10.525 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.665 -8.156 -10.477 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.317 -7.217 -10.329 1.00 0.00 O ATOM 0 H GLU A 26 3.648 -4.970 -12.081 1.00 0.00 H new ATOM 0 HA GLU A 26 1.818 -3.442 -10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.520 -6.404 -10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.651 -5.599 -9.024 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.172 -5.020 -10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.708 -5.731 -11.909 1.00 0.00 H new ATOM 348 N LEU A 27 3.526 -3.179 -8.532 1.00 0.00 N ATOM 349 CA LEU A 27 4.586 -2.867 -7.579 1.00 0.00 C ATOM 350 C LEU A 27 4.487 -3.756 -6.344 1.00 0.00 C ATOM 351 O LEU A 27 3.392 -4.116 -5.910 1.00 0.00 O ATOM 352 CB LEU A 27 4.513 -1.395 -7.169 1.00 0.00 C ATOM 353 CG LEU A 27 5.444 -0.967 -6.034 1.00 0.00 C ATOM 354 CD1 LEU A 27 6.887 -0.927 -6.514 1.00 0.00 C ATOM 355 CD2 LEU A 27 5.026 0.388 -5.482 1.00 0.00 C ATOM 0 H LEU A 27 2.645 -2.696 -8.355 1.00 0.00 H new ATOM 0 HA LEU A 27 5.544 -3.056 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.735 -0.784 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.488 -1.171 -6.875 1.00 0.00 H new ATOM 0 HG LEU A 27 5.369 -1.702 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.535 -0.620 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.183 -1.917 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.978 -0.214 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.700 0.676 -4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.071 1.134 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.007 0.326 -5.099 1.00 0.00 H new ATOM 367 N THR A 28 5.638 -4.106 -5.779 1.00 0.00 N ATOM 368 CA THR A 28 5.682 -4.952 -4.593 1.00 0.00 C ATOM 369 C THR A 28 5.746 -4.114 -3.322 1.00 0.00 C ATOM 370 O THR A 28 6.606 -3.244 -3.182 1.00 0.00 O ATOM 371 CB THR A 28 6.892 -5.905 -4.627 1.00 0.00 C ATOM 372 OG1 THR A 28 6.900 -6.643 -5.854 1.00 0.00 O ATOM 373 CG2 THR A 28 6.855 -6.868 -3.451 1.00 0.00 C ATOM 0 H THR A 28 6.553 -3.816 -6.124 1.00 0.00 H new ATOM 0 HA THR A 28 4.765 -5.541 -4.591 1.00 0.00 H new ATOM 0 HB THR A 28 7.800 -5.306 -4.558 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.673 -7.245 -5.868 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.719 -7.531 -3.496 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.878 -6.304 -2.518 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.941 -7.460 -3.494 1.00 0.00 H new ATOM 381 N VAL A 29 4.830 -4.380 -2.396 1.00 0.00 N ATOM 382 CA VAL A 29 4.783 -3.651 -1.134 1.00 0.00 C ATOM 383 C VAL A 29 4.594 -4.601 0.043 1.00 0.00 C ATOM 384 O VAL A 29 4.472 -5.814 -0.136 1.00 0.00 O ATOM 385 CB VAL A 29 3.647 -2.611 -1.129 1.00 0.00 C ATOM 386 CG1 VAL A 29 3.976 -1.455 -2.060 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.328 -3.262 -1.518 1.00 0.00 C ATOM 0 H VAL A 29 4.110 -5.096 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 29 5.738 -3.135 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 29 3.546 -2.214 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.162 -0.731 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.897 -0.973 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.106 -1.831 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.536 -2.513 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.413 -3.688 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.088 -4.052 -0.806 1.00 0.00 H new ATOM 397 N THR A 30 4.570 -4.043 1.249 1.00 0.00 N ATOM 398 CA THR A 30 4.396 -4.840 2.457 1.00 0.00 C ATOM 399 C THR A 30 3.493 -4.130 3.459 1.00 0.00 C ATOM 400 O THR A 30 3.523 -2.905 3.575 1.00 0.00 O ATOM 401 CB THR A 30 5.749 -5.145 3.128 1.00 0.00 C ATOM 402 OG1 THR A 30 6.499 -3.936 3.289 1.00 0.00 O ATOM 403 CG2 THR A 30 6.550 -6.140 2.302 1.00 0.00 C ATOM 0 H THR A 30 4.669 -3.042 1.415 1.00 0.00 H new ATOM 0 HA THR A 30 3.930 -5.777 2.153 1.00 0.00 H new ATOM 0 HB THR A 30 5.554 -5.584 4.107 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.801 -3.619 2.412 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.501 -6.340 2.795 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.988 -7.069 2.207 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.735 -5.725 1.311 1.00 0.00 H new ATOM 411 N GLU A 31 2.692 -4.907 4.181 1.00 0.00 N ATOM 412 CA GLU A 31 1.780 -4.350 5.174 1.00 0.00 C ATOM 413 C GLU A 31 2.536 -3.496 6.188 1.00 0.00 C ATOM 414 O GLU A 31 3.302 -4.011 7.001 1.00 0.00 O ATOM 415 CB GLU A 31 1.029 -5.471 5.894 1.00 0.00 C ATOM 416 CG GLU A 31 0.225 -4.994 7.092 1.00 0.00 C ATOM 417 CD GLU A 31 -0.320 -6.139 7.923 1.00 0.00 C ATOM 418 OE1 GLU A 31 -0.841 -7.107 7.332 1.00 0.00 O ATOM 419 OE2 GLU A 31 -0.224 -6.066 9.166 1.00 0.00 O ATOM 0 H GLU A 31 2.656 -5.923 4.097 1.00 0.00 H new ATOM 0 HA GLU A 31 1.061 -3.716 4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.357 -5.959 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.746 -6.223 6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.855 -4.363 7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.603 -4.375 6.746 1.00 0.00 H new ATOM 426 N GLY A 32 2.314 -2.186 6.132 1.00 0.00 N ATOM 427 CA GLY A 32 2.981 -1.281 7.049 1.00 0.00 C ATOM 428 C GLY A 32 3.926 -0.330 6.341 1.00 0.00 C ATOM 429 O GLY A 32 4.235 0.744 6.856 1.00 0.00 O ATOM 0 H GLY A 32 1.684 -1.736 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.233 -0.706 7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.538 -1.860 7.786 1.00 0.00 H new ATOM 433 N GLU A 33 4.386 -0.727 5.159 1.00 0.00 N ATOM 434 CA GLU A 33 5.304 0.098 4.382 1.00 0.00 C ATOM 435 C GLU A 33 4.573 1.282 3.755 1.00 0.00 C ATOM 436 O GLU A 33 3.535 1.115 3.114 1.00 0.00 O ATOM 437 CB GLU A 33 5.975 -0.738 3.289 1.00 0.00 C ATOM 438 CG GLU A 33 6.855 0.076 2.356 1.00 0.00 C ATOM 439 CD GLU A 33 8.014 -0.728 1.799 1.00 0.00 C ATOM 440 OE1 GLU A 33 7.790 -1.887 1.390 1.00 0.00 O ATOM 441 OE2 GLU A 33 9.145 -0.200 1.774 1.00 0.00 O ATOM 0 H GLU A 33 4.139 -1.613 4.719 1.00 0.00 H new ATOM 0 HA GLU A 33 6.069 0.481 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.578 -1.516 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.205 -1.240 2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.251 0.455 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.243 0.942 2.892 1.00 0.00 H new ATOM 448 N ILE A 34 5.122 2.477 3.946 1.00 0.00 N ATOM 449 CA ILE A 34 4.524 3.688 3.400 1.00 0.00 C ATOM 450 C ILE A 34 5.218 4.111 2.110 1.00 0.00 C ATOM 451 O ILE A 34 6.432 4.317 2.086 1.00 0.00 O ATOM 452 CB ILE A 34 4.586 4.851 4.408 1.00 0.00 C ATOM 453 CG1 ILE A 34 3.990 4.423 5.751 1.00 0.00 C ATOM 454 CG2 ILE A 34 3.853 6.066 3.860 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.548 3.976 5.657 1.00 0.00 C ATOM 0 H ILE A 34 5.980 2.632 4.475 1.00 0.00 H new ATOM 0 HA ILE A 34 3.480 3.456 3.189 1.00 0.00 H new ATOM 0 HB ILE A 34 5.630 5.121 4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.588 3.610 6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.059 5.255 6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.906 6.880 4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.318 6.381 2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.809 5.810 3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.191 3.687 6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.937 4.795 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.475 3.124 4.982 1.00 0.00 H new ATOM 467 N ILE A 35 4.441 4.240 1.040 1.00 0.00 N ATOM 468 CA ILE A 35 4.981 4.642 -0.252 1.00 0.00 C ATOM 469 C ILE A 35 4.359 5.951 -0.725 1.00 0.00 C ATOM 470 O ILE A 35 3.485 6.512 -0.063 1.00 0.00 O ATOM 471 CB ILE A 35 4.745 3.559 -1.322 1.00 0.00 C ATOM 472 CG1 ILE A 35 3.249 3.270 -1.465 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.504 2.289 -0.966 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.882 2.619 -2.780 1.00 0.00 C ATOM 0 H ILE A 35 3.435 4.072 1.043 1.00 0.00 H new ATOM 0 HA ILE A 35 6.054 4.780 -0.116 1.00 0.00 H new ATOM 0 HB ILE A 35 5.118 3.926 -2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.933 2.622 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.696 4.204 -1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.327 1.533 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.571 2.506 -0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.158 1.917 -0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.807 2.444 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.167 3.275 -3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.408 1.669 -2.875 1.00 0.00 H new ATOM 486 N THR A 36 4.814 6.434 -1.877 1.00 0.00 N ATOM 487 CA THR A 36 4.303 7.678 -2.440 1.00 0.00 C ATOM 488 C THR A 36 3.239 7.406 -3.497 1.00 0.00 C ATOM 489 O THR A 36 3.437 6.587 -4.395 1.00 0.00 O ATOM 490 CB THR A 36 5.432 8.516 -3.068 1.00 0.00 C ATOM 491 OG1 THR A 36 6.483 8.715 -2.115 1.00 0.00 O ATOM 492 CG2 THR A 36 4.907 9.864 -3.540 1.00 0.00 C ATOM 0 H THR A 36 5.536 5.982 -2.439 1.00 0.00 H new ATOM 0 HA THR A 36 3.859 8.239 -1.617 1.00 0.00 H new ATOM 0 HB THR A 36 5.821 7.973 -3.929 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.198 9.247 -2.523 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.722 10.438 -3.980 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.128 9.710 -4.286 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.494 10.411 -2.692 1.00 0.00 H new ATOM 500 N VAL A 37 2.110 8.099 -3.386 1.00 0.00 N ATOM 501 CA VAL A 37 1.015 7.934 -4.334 1.00 0.00 C ATOM 502 C VAL A 37 1.086 8.977 -5.444 1.00 0.00 C ATOM 503 O VAL A 37 0.921 10.173 -5.199 1.00 0.00 O ATOM 504 CB VAL A 37 -0.353 8.036 -3.635 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.481 7.813 -4.631 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.440 7.042 -2.487 1.00 0.00 C ATOM 0 H VAL A 37 1.930 8.780 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 37 1.120 6.939 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.457 9.040 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.440 7.889 -4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.428 8.568 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.384 6.822 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.413 7.128 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.314 6.030 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.345 7.255 -1.761 1.00 0.00 H new ATOM 516 N THR A 38 1.333 8.517 -6.666 1.00 0.00 N ATOM 517 CA THR A 38 1.427 9.410 -7.814 1.00 0.00 C ATOM 518 C THR A 38 0.112 9.456 -8.584 1.00 0.00 C ATOM 519 O THR A 38 -0.384 10.530 -8.920 1.00 0.00 O ATOM 520 CB THR A 38 2.554 8.979 -8.771 1.00 0.00 C ATOM 521 OG1 THR A 38 2.363 7.617 -9.170 1.00 0.00 O ATOM 522 CG2 THR A 38 3.915 9.133 -8.109 1.00 0.00 C ATOM 0 H THR A 38 1.472 7.531 -6.886 1.00 0.00 H new ATOM 0 HA THR A 38 1.652 10.403 -7.424 1.00 0.00 H new ATOM 0 HB THR A 38 2.521 9.623 -9.650 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.083 7.351 -9.780 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.695 8.822 -8.804 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.069 10.176 -7.833 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.957 8.511 -7.215 1.00 0.00 H new ATOM 530 N ASN A 39 -0.449 8.283 -8.859 1.00 0.00 N ATOM 531 CA ASN A 39 -1.707 8.190 -9.590 1.00 0.00 C ATOM 532 C ASN A 39 -2.756 7.440 -8.774 1.00 0.00 C ATOM 533 O ASN A 39 -2.978 6.242 -8.952 1.00 0.00 O ATOM 534 CB ASN A 39 -1.492 7.487 -10.932 1.00 0.00 C ATOM 535 CG ASN A 39 -2.723 7.537 -11.816 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.671 8.272 -11.537 1.00 0.00 O ATOM 537 ND2 ASN A 39 -2.714 6.753 -12.888 1.00 0.00 N ATOM 0 H ASN A 39 -0.052 7.384 -8.587 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.068 9.202 -9.772 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.655 7.953 -11.453 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.218 6.447 -10.754 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.515 6.744 -13.520 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.906 6.160 -13.080 1.00 0.00 H new ATOM 544 N PRO A 40 -3.418 8.161 -7.857 1.00 0.00 N ATOM 545 CA PRO A 40 -4.455 7.586 -6.995 1.00 0.00 C ATOM 546 C PRO A 40 -5.719 7.228 -7.770 1.00 0.00 C ATOM 547 O PRO A 40 -6.476 6.345 -7.367 1.00 0.00 O ATOM 548 CB PRO A 40 -4.742 8.704 -5.990 1.00 0.00 C ATOM 549 CG PRO A 40 -4.361 9.957 -6.699 1.00 0.00 C ATOM 550 CD PRO A 40 -3.206 9.594 -7.591 1.00 0.00 C ATOM 0 HA PRO A 40 -4.131 6.653 -6.533 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.793 8.716 -5.701 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.162 8.574 -5.077 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.197 10.345 -7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.077 10.735 -5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.210 10.178 -8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.249 9.775 -7.102 1.00 0.00 H new ATOM 558 N ASN A 41 -5.941 7.919 -8.883 1.00 0.00 N ATOM 559 CA ASN A 41 -7.115 7.674 -9.714 1.00 0.00 C ATOM 560 C ASN A 41 -6.711 7.104 -11.070 1.00 0.00 C ATOM 561 O ASN A 41 -6.606 7.834 -12.056 1.00 0.00 O ATOM 562 CB ASN A 41 -7.908 8.968 -9.908 1.00 0.00 C ATOM 563 CG ASN A 41 -8.732 9.329 -8.687 1.00 0.00 C ATOM 564 OD1 ASN A 41 -9.112 8.461 -7.902 1.00 0.00 O ATOM 565 ND2 ASN A 41 -9.012 10.617 -8.523 1.00 0.00 N ATOM 0 H ASN A 41 -5.324 8.653 -9.231 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.744 6.944 -9.205 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.220 9.783 -10.132 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.567 8.861 -10.769 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.563 10.921 -7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.676 11.302 -9.200 1.00 0.00 H new ATOM 572 N VAL A 42 -6.486 5.794 -11.113 1.00 0.00 N ATOM 573 CA VAL A 42 -6.096 5.125 -12.348 1.00 0.00 C ATOM 574 C VAL A 42 -7.318 4.747 -13.178 1.00 0.00 C ATOM 575 O VAL A 42 -7.499 5.234 -14.292 1.00 0.00 O ATOM 576 CB VAL A 42 -5.270 3.857 -12.062 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.721 3.274 -13.356 1.00 0.00 C ATOM 578 CG2 VAL A 42 -4.145 4.163 -11.086 1.00 0.00 C ATOM 0 H VAL A 42 -6.567 5.175 -10.306 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.483 5.830 -12.910 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.924 3.114 -11.605 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.140 2.379 -13.134 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.547 3.016 -14.018 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.082 4.010 -13.844 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.572 3.256 -10.895 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.490 4.923 -11.512 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.565 4.530 -10.150 1.00 0.00 H new ATOM 588 N GLY A 43 -8.155 3.873 -12.625 1.00 0.00 N ATOM 589 CA GLY A 43 -9.350 3.444 -13.327 1.00 0.00 C ATOM 590 C GLY A 43 -9.753 2.027 -12.973 1.00 0.00 C ATOM 591 O GLY A 43 -9.185 1.065 -13.488 1.00 0.00 O ATOM 0 H GLY A 43 -8.026 3.455 -11.704 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.170 4.122 -13.090 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.181 3.513 -14.402 1.00 0.00 H new ATOM 595 N GLY A 44 -10.737 1.897 -12.088 1.00 0.00 N ATOM 596 CA GLY A 44 -11.198 0.583 -11.679 1.00 0.00 C ATOM 597 C GLY A 44 -11.009 0.339 -10.195 1.00 0.00 C ATOM 598 O GLY A 44 -11.453 -0.679 -9.665 1.00 0.00 O ATOM 0 H GLY A 44 -11.223 2.678 -11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.253 0.477 -11.930 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.659 -0.179 -12.241 1.00 0.00 H new ATOM 602 N GLY A 45 -10.347 1.275 -9.522 1.00 0.00 N ATOM 603 CA GLY A 45 -10.111 1.137 -8.097 1.00 0.00 C ATOM 604 C GLY A 45 -8.665 0.812 -7.778 1.00 0.00 C ATOM 605 O GLY A 45 -8.379 0.111 -6.807 1.00 0.00 O ATOM 0 H GLY A 45 -9.970 2.126 -9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.392 2.062 -7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.753 0.351 -7.700 1.00 0.00 H new ATOM 609 N TRP A 46 -7.752 1.319 -8.597 1.00 0.00 N ATOM 610 CA TRP A 46 -6.327 1.077 -8.398 1.00 0.00 C ATOM 611 C TRP A 46 -5.576 2.387 -8.190 1.00 0.00 C ATOM 612 O TRP A 46 -6.176 3.463 -8.177 1.00 0.00 O ATOM 613 CB TRP A 46 -5.744 0.326 -9.596 1.00 0.00 C ATOM 614 CG TRP A 46 -6.292 -1.061 -9.751 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.585 -1.405 -10.026 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.563 -2.288 -9.638 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.703 -2.773 -10.091 1.00 0.00 N ATOM 618 CE2 TRP A 46 -6.477 -3.337 -9.857 1.00 0.00 C ATOM 619 CE3 TRP A 46 -4.227 -2.603 -9.375 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -6.096 -4.676 -9.820 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.851 -3.932 -9.337 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.782 -4.955 -9.560 1.00 0.00 C ATOM 0 H TRP A 46 -7.972 1.900 -9.406 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.210 0.466 -7.503 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.947 0.893 -10.505 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.661 0.271 -9.489 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.395 -0.705 -10.171 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.564 -3.285 -10.282 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.501 -1.821 -9.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -6.812 -5.466 -9.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.822 -4.187 -9.132 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.456 -5.984 -9.526 1.00 0.00 H new ATOM 633 N LEU A 47 -4.261 2.291 -8.026 1.00 0.00 N ATOM 634 CA LEU A 47 -3.427 3.470 -7.819 1.00 0.00 C ATOM 635 C LEU A 47 -1.962 3.158 -8.107 1.00 0.00 C ATOM 636 O LEU A 47 -1.487 2.057 -7.831 1.00 0.00 O ATOM 637 CB LEU A 47 -3.580 3.981 -6.385 1.00 0.00 C ATOM 638 CG LEU A 47 -2.965 3.106 -5.292 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.498 3.451 -5.094 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.733 3.264 -3.988 1.00 0.00 C ATOM 0 H LEU A 47 -3.749 1.409 -8.032 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.757 4.245 -8.511 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.132 4.973 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.643 4.098 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.032 2.064 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.078 2.818 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.956 3.286 -6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.406 4.497 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.282 2.634 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.698 4.306 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.770 2.965 -4.138 1.00 0.00 H new ATOM 652 N GLU A 48 -1.252 4.136 -8.660 1.00 0.00 N ATOM 653 CA GLU A 48 0.160 3.966 -8.983 1.00 0.00 C ATOM 654 C GLU A 48 1.043 4.651 -7.944 1.00 0.00 C ATOM 655 O GLU A 48 0.766 5.773 -7.522 1.00 0.00 O ATOM 656 CB GLU A 48 0.459 4.529 -10.374 1.00 0.00 C ATOM 657 CG GLU A 48 1.728 3.971 -10.996 1.00 0.00 C ATOM 658 CD GLU A 48 2.186 4.768 -12.202 1.00 0.00 C ATOM 659 OE1 GLU A 48 1.326 5.387 -12.864 1.00 0.00 O ATOM 660 OE2 GLU A 48 3.402 4.773 -12.484 1.00 0.00 O ATOM 0 H GLU A 48 -1.631 5.054 -8.894 1.00 0.00 H new ATOM 0 HA GLU A 48 0.382 2.899 -8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.383 4.315 -11.032 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.543 5.614 -10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.521 3.962 -10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.558 2.936 -11.292 1.00 0.00 H new ATOM 667 N GLY A 49 2.107 3.967 -7.535 1.00 0.00 N ATOM 668 CA GLY A 49 3.014 4.524 -6.549 1.00 0.00 C ATOM 669 C GLY A 49 4.465 4.211 -6.854 1.00 0.00 C ATOM 670 O GLY A 49 4.762 3.347 -7.679 1.00 0.00 O ATOM 0 H GLY A 49 2.357 3.036 -7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.880 5.605 -6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.760 4.132 -5.564 1.00 0.00 H new ATOM 674 N LYS A 50 5.373 4.917 -6.188 1.00 0.00 N ATOM 675 CA LYS A 50 6.802 4.711 -6.391 1.00 0.00 C ATOM 676 C LYS A 50 7.499 4.391 -5.072 1.00 0.00 C ATOM 677 O LYS A 50 7.081 4.851 -4.011 1.00 0.00 O ATOM 678 CB LYS A 50 7.432 5.954 -7.024 1.00 0.00 C ATOM 679 CG LYS A 50 8.947 5.890 -7.112 1.00 0.00 C ATOM 680 CD LYS A 50 9.531 7.197 -7.621 1.00 0.00 C ATOM 681 CE LYS A 50 9.616 8.238 -6.515 1.00 0.00 C ATOM 682 NZ LYS A 50 10.276 9.489 -6.981 1.00 0.00 N ATOM 0 H LYS A 50 5.144 5.637 -5.503 1.00 0.00 H new ATOM 0 HA LYS A 50 6.929 3.863 -7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.024 6.088 -8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.147 6.831 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.360 5.664 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.240 5.076 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.525 7.018 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.915 7.579 -8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.613 8.469 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.171 7.827 -5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.315 10.173 -6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.242 9.274 -7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.733 9.895 -7.770 1.00 0.00 H new ATOM 696 N ASN A 51 8.564 3.600 -5.148 1.00 0.00 N ATOM 697 CA ASN A 51 9.320 3.219 -3.960 1.00 0.00 C ATOM 698 C ASN A 51 10.669 3.931 -3.922 1.00 0.00 C ATOM 699 O ASN A 51 11.061 4.590 -4.883 1.00 0.00 O ATOM 700 CB ASN A 51 9.529 1.704 -3.927 1.00 0.00 C ATOM 701 CG ASN A 51 9.697 1.113 -5.313 1.00 0.00 C ATOM 702 OD1 ASN A 51 9.980 1.828 -6.275 1.00 0.00 O ATOM 703 ND2 ASN A 51 9.523 -0.199 -5.422 1.00 0.00 N ATOM 0 H ASN A 51 8.923 3.210 -6.019 1.00 0.00 H new ATOM 0 HA ASN A 51 8.746 3.519 -3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.410 1.475 -3.328 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.678 1.233 -3.435 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.623 -0.653 -6.330 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.289 -0.753 -4.598 1.00 0.00 H new ATOM 710 N ASN A 52 11.373 3.792 -2.803 1.00 0.00 N ATOM 711 CA ASN A 52 12.678 4.422 -2.639 1.00 0.00 C ATOM 712 C ASN A 52 13.572 4.144 -3.844 1.00 0.00 C ATOM 713 O ASN A 52 14.352 4.999 -4.263 1.00 0.00 O ATOM 714 CB ASN A 52 13.354 3.918 -1.362 1.00 0.00 C ATOM 715 CG ASN A 52 12.817 4.598 -0.117 1.00 0.00 C ATOM 716 OD1 ASN A 52 11.823 5.322 -0.171 1.00 0.00 O ATOM 717 ND2 ASN A 52 13.476 4.368 1.013 1.00 0.00 N ATOM 0 H ASN A 52 11.062 3.249 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 52 12.526 5.499 -2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.207 2.841 -1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.428 4.088 -1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.163 4.799 1.883 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.295 3.761 1.011 1.00 0.00 H new ATOM 724 N LYS A 53 13.452 2.942 -4.398 1.00 0.00 N ATOM 725 CA LYS A 53 14.246 2.550 -5.556 1.00 0.00 C ATOM 726 C LYS A 53 13.887 3.395 -6.773 1.00 0.00 C ATOM 727 O LYS A 53 14.756 3.771 -7.559 1.00 0.00 O ATOM 728 CB LYS A 53 14.031 1.067 -5.869 1.00 0.00 C ATOM 729 CG LYS A 53 14.804 0.134 -4.954 1.00 0.00 C ATOM 730 CD LYS A 53 14.185 0.075 -3.567 1.00 0.00 C ATOM 731 CE LYS A 53 14.860 -0.977 -2.700 1.00 0.00 C ATOM 732 NZ LYS A 53 16.045 -0.429 -1.984 1.00 0.00 N ATOM 0 H LYS A 53 12.812 2.222 -4.063 1.00 0.00 H new ATOM 0 HA LYS A 53 15.297 2.716 -5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.968 0.839 -5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.325 0.876 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.826 -0.866 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.838 0.471 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.268 1.051 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.122 -0.149 -3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.144 -1.363 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.168 -1.817 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.477 -1.177 -1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 16.740 -0.083 -2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.747 0.356 -1.370 1.00 0.00 H new ATOM 746 N GLY A 54 12.599 3.692 -6.923 1.00 0.00 N ATOM 747 CA GLY A 54 12.148 4.492 -8.047 1.00 0.00 C ATOM 748 C GLY A 54 11.196 3.736 -8.952 1.00 0.00 C ATOM 749 O GLY A 54 10.634 4.306 -9.886 1.00 0.00 O ATOM 0 H GLY A 54 11.860 3.393 -6.286 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.655 5.390 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.012 4.819 -8.626 1.00 0.00 H new ATOM 753 N GLU A 55 11.016 2.448 -8.675 1.00 0.00 N ATOM 754 CA GLU A 55 10.126 1.613 -9.474 1.00 0.00 C ATOM 755 C GLU A 55 8.665 1.959 -9.201 1.00 0.00 C ATOM 756 O GLU A 55 8.251 2.082 -8.049 1.00 0.00 O ATOM 757 CB GLU A 55 10.376 0.133 -9.177 1.00 0.00 C ATOM 758 CG GLU A 55 11.705 -0.378 -9.707 1.00 0.00 C ATOM 759 CD GLU A 55 12.840 -0.186 -8.719 1.00 0.00 C ATOM 760 OE1 GLU A 55 12.773 -0.771 -7.618 1.00 0.00 O ATOM 761 OE2 GLU A 55 13.794 0.550 -9.047 1.00 0.00 O ATOM 0 H GLU A 55 11.474 1.961 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 55 10.336 1.805 -10.526 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.340 -0.024 -8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.570 -0.457 -9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.613 -1.437 -9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.945 0.140 -10.636 1.00 0.00 H new ATOM 768 N GLN A 56 7.890 2.113 -10.270 1.00 0.00 N ATOM 769 CA GLN A 56 6.476 2.446 -10.146 1.00 0.00 C ATOM 770 C GLN A 56 5.603 1.323 -10.697 1.00 0.00 C ATOM 771 O GLN A 56 5.847 0.813 -11.790 1.00 0.00 O ATOM 772 CB GLN A 56 6.171 3.753 -10.881 1.00 0.00 C ATOM 773 CG GLN A 56 6.623 4.993 -10.128 1.00 0.00 C ATOM 774 CD GLN A 56 6.986 6.138 -11.053 1.00 0.00 C ATOM 775 OE1 GLN A 56 7.850 6.002 -11.919 1.00 0.00 O ATOM 776 NE2 GLN A 56 6.324 7.276 -10.875 1.00 0.00 N ATOM 0 H GLN A 56 8.217 2.013 -11.231 1.00 0.00 H new ATOM 0 HA GLN A 56 6.250 2.572 -9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.656 3.733 -11.857 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.098 3.818 -11.060 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.829 5.314 -9.454 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.485 4.744 -9.509 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.615 7.345 -10.145 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.524 8.081 -11.469 1.00 0.00 H new ATOM 785 N GLY A 57 4.584 0.943 -9.933 1.00 0.00 N ATOM 786 CA GLY A 57 3.690 -0.117 -10.361 1.00 0.00 C ATOM 787 C GLY A 57 2.248 0.149 -9.975 1.00 0.00 C ATOM 788 O GLY A 57 1.966 1.049 -9.183 1.00 0.00 O ATOM 0 H GLY A 57 4.361 1.350 -9.025 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.758 -0.231 -11.443 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.013 -1.060 -9.920 1.00 0.00 H new ATOM 792 N LEU A 58 1.334 -0.634 -10.536 1.00 0.00 N ATOM 793 CA LEU A 58 -0.088 -0.478 -10.248 1.00 0.00 C ATOM 794 C LEU A 58 -0.494 -1.318 -9.041 1.00 0.00 C ATOM 795 O LEU A 58 -0.281 -2.530 -9.015 1.00 0.00 O ATOM 796 CB LEU A 58 -0.922 -0.878 -11.466 1.00 0.00 C ATOM 797 CG LEU A 58 -0.915 0.104 -12.637 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.777 -0.416 -13.776 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.395 1.476 -12.186 1.00 0.00 C ATOM 0 H LEU A 58 1.551 -1.383 -11.193 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.274 0.571 -10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.564 -1.843 -11.825 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.953 -1.021 -11.144 1.00 0.00 H new ATOM 0 HG LEU A 58 0.109 0.200 -12.999 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.759 0.297 -14.600 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.389 -1.375 -14.118 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.802 -0.543 -13.428 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.383 2.162 -13.033 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.410 1.397 -11.797 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.736 1.853 -11.404 1.00 0.00 H new ATOM 811 N VAL A 59 -1.082 -0.665 -8.044 1.00 0.00 N ATOM 812 CA VAL A 59 -1.521 -1.352 -6.835 1.00 0.00 C ATOM 813 C VAL A 59 -3.004 -1.112 -6.575 1.00 0.00 C ATOM 814 O VAL A 59 -3.518 -0.005 -6.739 1.00 0.00 O ATOM 815 CB VAL A 59 -0.715 -0.894 -5.605 1.00 0.00 C ATOM 816 CG1 VAL A 59 -1.239 -1.564 -4.343 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.765 -1.188 -5.799 1.00 0.00 C ATOM 0 H VAL A 59 -1.265 0.338 -8.049 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.350 -2.416 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.837 0.183 -5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.657 -1.228 -3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.286 -1.298 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.149 -2.646 -4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.320 -0.858 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.908 -2.260 -5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.129 -0.657 -6.679 1.00 0.00 H new ATOM 827 N PRO A 60 -3.711 -2.172 -6.157 1.00 0.00 N ATOM 828 CA PRO A 60 -5.146 -2.102 -5.864 1.00 0.00 C ATOM 829 C PRO A 60 -5.442 -1.288 -4.609 1.00 0.00 C ATOM 830 O PRO A 60 -4.788 -1.455 -3.579 1.00 0.00 O ATOM 831 CB PRO A 60 -5.537 -3.567 -5.656 1.00 0.00 C ATOM 832 CG PRO A 60 -4.278 -4.239 -5.227 1.00 0.00 C ATOM 833 CD PRO A 60 -3.164 -3.522 -5.939 1.00 0.00 C ATOM 0 HA PRO A 60 -5.701 -1.607 -6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.316 -3.665 -4.899 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.927 -4.007 -6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.152 -4.180 -4.146 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.291 -5.297 -5.489 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.255 -3.495 -5.338 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.910 -4.009 -6.880 1.00 0.00 H new ATOM 841 N THR A 61 -6.432 -0.405 -4.702 1.00 0.00 N ATOM 842 CA THR A 61 -6.814 0.436 -3.574 1.00 0.00 C ATOM 843 C THR A 61 -7.438 -0.393 -2.457 1.00 0.00 C ATOM 844 O THR A 61 -7.665 0.105 -1.354 1.00 0.00 O ATOM 845 CB THR A 61 -7.808 1.531 -4.002 1.00 0.00 C ATOM 846 OG1 THR A 61 -9.012 0.934 -4.496 1.00 0.00 O ATOM 847 CG2 THR A 61 -7.201 2.424 -5.075 1.00 0.00 C ATOM 0 H THR A 61 -6.983 -0.254 -5.547 1.00 0.00 H new ATOM 0 HA THR A 61 -5.902 0.907 -3.207 1.00 0.00 H new ATOM 0 HB THR A 61 -8.038 2.143 -3.130 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.800 0.344 -5.249 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.922 3.190 -5.361 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.301 2.900 -4.686 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.945 1.822 -5.947 1.00 0.00 H new ATOM 855 N ASP A 62 -7.712 -1.659 -2.749 1.00 0.00 N ATOM 856 CA ASP A 62 -8.309 -2.558 -1.768 1.00 0.00 C ATOM 857 C ASP A 62 -7.244 -3.134 -0.840 1.00 0.00 C ATOM 858 O ASP A 62 -7.549 -3.609 0.254 1.00 0.00 O ATOM 859 CB ASP A 62 -9.057 -3.691 -2.471 1.00 0.00 C ATOM 860 CG ASP A 62 -8.447 -4.043 -3.813 1.00 0.00 C ATOM 861 OD1 ASP A 62 -8.573 -3.231 -4.753 1.00 0.00 O ATOM 862 OD2 ASP A 62 -7.842 -5.131 -3.924 1.00 0.00 O ATOM 0 H ASP A 62 -7.530 -2.086 -3.657 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.016 -1.984 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.056 -4.574 -1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.098 -3.402 -2.613 1.00 0.00 H new ATOM 867 N TYR A 63 -5.993 -3.091 -1.285 1.00 0.00 N ATOM 868 CA TYR A 63 -4.882 -3.612 -0.497 1.00 0.00 C ATOM 869 C TYR A 63 -4.341 -2.547 0.451 1.00 0.00 C ATOM 870 O TYR A 63 -3.894 -2.853 1.557 1.00 0.00 O ATOM 871 CB TYR A 63 -3.765 -4.108 -1.417 1.00 0.00 C ATOM 872 CG TYR A 63 -3.937 -5.543 -1.859 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.004 -5.919 -2.666 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.034 -6.524 -1.469 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.166 -7.230 -3.072 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.186 -7.837 -1.872 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.254 -8.185 -2.673 1.00 0.00 C ATOM 878 OH TYR A 63 -4.411 -9.491 -3.075 1.00 0.00 O ATOM 0 H TYR A 63 -5.723 -2.701 -2.188 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.251 -4.448 0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.721 -3.468 -2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.810 -4.007 -0.902 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.719 -5.174 -2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.198 -6.256 -0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.002 -7.505 -3.698 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.473 -8.586 -1.562 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.683 -10.036 -2.709 1.00 0.00 H new ATOM 888 N VAL A 64 -4.384 -1.294 0.010 1.00 0.00 N ATOM 889 CA VAL A 64 -3.900 -0.181 0.819 1.00 0.00 C ATOM 890 C VAL A 64 -4.980 0.880 0.996 1.00 0.00 C ATOM 891 O VAL A 64 -5.925 0.955 0.212 1.00 0.00 O ATOM 892 CB VAL A 64 -2.654 0.470 0.190 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.673 -0.595 -0.276 1.00 0.00 C ATOM 894 CG2 VAL A 64 -3.053 1.379 -0.962 1.00 0.00 C ATOM 0 H VAL A 64 -4.749 -1.024 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.634 -0.590 1.794 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.160 1.078 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.799 -0.116 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.363 -1.202 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.153 -1.231 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.160 1.831 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.570 0.795 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.715 2.163 -0.594 1.00 0.00 H new ATOM 904 N GLU A 65 -4.832 1.700 2.033 1.00 0.00 N ATOM 905 CA GLU A 65 -5.796 2.757 2.313 1.00 0.00 C ATOM 906 C GLU A 65 -5.098 4.108 2.445 1.00 0.00 C ATOM 907 O GLU A 65 -4.381 4.356 3.415 1.00 0.00 O ATOM 908 CB GLU A 65 -6.572 2.445 3.594 1.00 0.00 C ATOM 909 CG GLU A 65 -7.444 3.593 4.073 1.00 0.00 C ATOM 910 CD GLU A 65 -7.889 3.426 5.513 1.00 0.00 C ATOM 911 OE1 GLU A 65 -8.628 2.460 5.797 1.00 0.00 O ATOM 912 OE2 GLU A 65 -7.499 4.261 6.355 1.00 0.00 O ATOM 0 H GLU A 65 -4.055 1.652 2.692 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.494 2.807 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.199 1.570 3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.866 2.183 4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.894 4.529 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.322 3.669 3.432 1.00 0.00 H new ATOM 919 N ILE A 66 -5.313 4.977 1.462 1.00 0.00 N ATOM 920 CA ILE A 66 -4.706 6.302 1.468 1.00 0.00 C ATOM 921 C ILE A 66 -5.058 7.062 2.742 1.00 0.00 C ATOM 922 O ILE A 66 -6.219 7.104 3.153 1.00 0.00 O ATOM 923 CB ILE A 66 -5.152 7.131 0.249 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.734 6.435 -1.048 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.564 8.532 0.319 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.221 7.140 -2.295 1.00 0.00 C ATOM 0 H ILE A 66 -5.903 4.787 0.652 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.627 6.155 1.422 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.239 7.213 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.647 6.366 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.118 5.415 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.888 9.106 -0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.906 9.025 1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.476 8.470 0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.888 6.592 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.310 7.185 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.816 8.152 -2.323 1.00 0.00 H new ATOM 938 N LEU A 67 -4.050 7.663 3.364 1.00 0.00 N ATOM 939 CA LEU A 67 -4.252 8.425 4.591 1.00 0.00 C ATOM 940 C LEU A 67 -4.391 9.914 4.291 1.00 0.00 C ATOM 941 O LEU A 67 -3.743 10.455 3.395 1.00 0.00 O ATOM 942 CB LEU A 67 -3.088 8.194 5.556 1.00 0.00 C ATOM 943 CG LEU A 67 -2.625 6.745 5.713 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.213 6.695 6.276 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.584 5.972 6.606 1.00 0.00 C ATOM 0 H LEU A 67 -3.084 7.637 3.038 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.175 8.079 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.240 8.791 5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.375 8.571 6.537 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.620 6.277 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.900 5.656 6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.533 7.212 5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.193 7.180 7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.239 4.943 6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.622 6.440 7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.580 5.979 6.163 1.00 0.00 H new ATOM 957 N PRO A 68 -5.254 10.595 5.060 1.00 0.00 N ATOM 958 CA PRO A 68 -5.496 12.032 4.897 1.00 0.00 C ATOM 959 C PRO A 68 -4.299 12.873 5.326 1.00 0.00 C ATOM 960 O PRO A 68 -3.633 12.563 6.313 1.00 0.00 O ATOM 961 CB PRO A 68 -6.692 12.296 5.815 1.00 0.00 C ATOM 962 CG PRO A 68 -6.625 11.221 6.844 1.00 0.00 C ATOM 963 CD PRO A 68 -6.061 10.014 6.147 1.00 0.00 C ATOM 0 HA PRO A 68 -5.673 12.301 3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.631 13.284 6.271 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.631 12.257 5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.992 11.520 7.680 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.613 11.009 7.252 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.453 9.409 6.820 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.849 9.368 5.761 1.00 0.00 H new ATOM 971 N ASN A 69 -4.032 13.939 4.579 1.00 0.00 N ATOM 972 CA ASN A 69 -2.915 14.826 4.883 1.00 0.00 C ATOM 973 C ASN A 69 -3.110 15.502 6.237 1.00 0.00 C ATOM 974 O ASN A 69 -4.212 15.511 6.785 1.00 0.00 O ATOM 975 CB ASN A 69 -2.764 15.884 3.788 1.00 0.00 C ATOM 976 CG ASN A 69 -1.445 16.626 3.880 1.00 0.00 C ATOM 977 OD1 ASN A 69 -0.426 16.057 4.271 1.00 0.00 O ATOM 978 ND2 ASN A 69 -1.459 17.904 3.517 1.00 0.00 N ATOM 0 H ASN A 69 -4.574 14.210 3.758 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.007 14.225 4.925 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.842 15.406 2.811 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.585 16.597 3.860 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.601 18.455 3.556 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.327 18.334 3.199 1.00 0.00 H new ATOM 985 N ASP A 70 -2.032 16.067 6.770 1.00 0.00 N ATOM 986 CA ASP A 70 -2.084 16.747 8.058 1.00 0.00 C ATOM 987 C ASP A 70 -2.802 18.088 7.937 1.00 0.00 C ATOM 988 O ASP A 70 -3.814 18.324 8.595 1.00 0.00 O ATOM 989 CB ASP A 70 -0.671 16.959 8.604 1.00 0.00 C ATOM 990 CG ASP A 70 0.271 17.536 7.566 1.00 0.00 C ATOM 991 OD1 ASP A 70 0.521 16.856 6.548 1.00 0.00 O ATOM 992 OD2 ASP A 70 0.757 18.668 7.770 1.00 0.00 O ATOM 0 H ASP A 70 -1.112 16.067 6.330 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.643 16.118 8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.713 17.628 9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.276 16.008 8.960 1.00 0.00 H new ATOM 997 N GLY A 71 -2.269 18.964 7.090 1.00 0.00 N ATOM 998 CA GLY A 71 -2.871 20.271 6.899 1.00 0.00 C ATOM 999 C GLY A 71 -4.368 20.192 6.674 1.00 0.00 C ATOM 1000 O GLY A 71 -5.114 21.077 7.094 1.00 0.00 O ATOM 0 H GLY A 71 -1.432 18.792 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.670 20.891 7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.404 20.762 6.045 1.00 0.00 H new ATOM 1004 N LYS A 72 -4.810 19.130 6.008 1.00 0.00 N ATOM 1005 CA LYS A 72 -6.228 18.938 5.727 1.00 0.00 C ATOM 1006 C LYS A 72 -7.004 18.659 7.011 1.00 0.00 C ATOM 1007 O LYS A 72 -6.418 18.330 8.042 1.00 0.00 O ATOM 1008 CB LYS A 72 -6.421 17.785 4.740 1.00 0.00 C ATOM 1009 CG LYS A 72 -7.845 17.656 4.227 1.00 0.00 C ATOM 1010 CD LYS A 72 -7.929 16.698 3.051 1.00 0.00 C ATOM 1011 CE LYS A 72 -9.323 16.683 2.443 1.00 0.00 C ATOM 1012 NZ LYS A 72 -10.338 16.151 3.394 1.00 0.00 N ATOM 0 H LYS A 72 -4.206 18.389 5.653 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.613 19.856 5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.750 17.927 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.132 16.852 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.492 17.304 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.215 18.636 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.203 16.988 2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.663 15.693 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.600 17.694 2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.318 16.074 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.258 16.078 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.044 15.210 3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.422 16.793 4.208 1.00 0.00 H new ATOM 1026 N ASP A 73 -8.324 18.790 6.939 1.00 0.00 N ATOM 1027 CA ASP A 73 -9.180 18.550 8.094 1.00 0.00 C ATOM 1028 C ASP A 73 -10.114 17.371 7.842 1.00 0.00 C ATOM 1029 O ASP A 73 -10.596 17.156 6.729 1.00 0.00 O ATOM 1030 CB ASP A 73 -9.995 19.802 8.421 1.00 0.00 C ATOM 1031 CG ASP A 73 -11.060 20.087 7.381 1.00 0.00 C ATOM 1032 OD1 ASP A 73 -10.729 20.705 6.347 1.00 0.00 O ATOM 1033 OD2 ASP A 73 -12.225 19.694 7.600 1.00 0.00 O ATOM 0 H ASP A 73 -8.824 19.061 6.092 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.542 18.310 8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.467 19.681 9.396 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.325 20.659 8.495 1.00 0.00 H new ATOM 1038 N PRO A 74 -10.377 16.587 8.898 1.00 0.00 N ATOM 1039 CA PRO A 74 -11.256 15.416 8.815 1.00 0.00 C ATOM 1040 C PRO A 74 -12.717 15.800 8.613 1.00 0.00 C ATOM 1041 O PRO A 74 -13.438 16.070 9.574 1.00 0.00 O ATOM 1042 CB PRO A 74 -11.065 14.733 10.172 1.00 0.00 C ATOM 1043 CG PRO A 74 -10.643 15.828 11.091 1.00 0.00 C ATOM 1044 CD PRO A 74 -9.838 16.783 10.254 1.00 0.00 C ATOM 0 HA PRO A 74 -11.010 14.781 7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.988 14.264 10.513 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.310 13.949 10.118 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.508 16.326 11.528 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.049 15.437 11.917 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.960 17.813 10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.773 16.557 10.299 1.00 0.00 H new ATOM 1052 N PHE A 75 -13.149 15.824 7.356 1.00 0.00 N ATOM 1053 CA PHE A 75 -14.526 16.176 7.028 1.00 0.00 C ATOM 1054 C PHE A 75 -15.495 15.600 8.056 1.00 0.00 C ATOM 1055 O PHE A 75 -16.251 16.334 8.692 1.00 0.00 O ATOM 1056 CB PHE A 75 -14.885 15.668 5.630 1.00 0.00 C ATOM 1057 CG PHE A 75 -16.135 16.286 5.070 1.00 0.00 C ATOM 1058 CD1 PHE A 75 -16.077 17.472 4.357 1.00 0.00 C ATOM 1059 CD2 PHE A 75 -17.366 15.680 5.257 1.00 0.00 C ATOM 1060 CE1 PHE A 75 -17.225 18.043 3.842 1.00 0.00 C ATOM 1061 CE2 PHE A 75 -18.518 16.246 4.743 1.00 0.00 C ATOM 1062 CZ PHE A 75 -18.447 17.429 4.034 1.00 0.00 C ATOM 0 H PHE A 75 -12.566 15.604 6.549 1.00 0.00 H new ATOM 0 HA PHE A 75 -14.611 17.263 7.045 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -14.054 15.871 4.954 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -15.009 14.586 5.666 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.124 17.956 4.202 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -17.427 14.755 5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -17.167 18.969 3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -19.472 15.764 4.896 1.00 0.00 H new ATOM 0 HZ PHE A 75 -19.345 17.873 3.631 1.00 0.00 H new ATOM 1072 N SER A 76 -15.467 14.280 8.211 1.00 0.00 N ATOM 1073 CA SER A 76 -16.345 13.603 9.158 1.00 0.00 C ATOM 1074 C SER A 76 -15.766 13.654 10.569 1.00 0.00 C ATOM 1075 O SER A 76 -14.559 13.814 10.750 1.00 0.00 O ATOM 1076 CB SER A 76 -16.562 12.149 8.736 1.00 0.00 C ATOM 1077 OG SER A 76 -16.958 12.065 7.378 1.00 0.00 O ATOM 0 H SER A 76 -14.846 13.658 7.693 1.00 0.00 H new ATOM 0 HA SER A 76 -17.304 14.120 9.159 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.643 11.583 8.886 1.00 0.00 H new ATOM 0 HB3 SER A 76 -17.324 11.693 9.369 1.00 0.00 H new ATOM 0 HG SER A 76 -17.088 11.125 7.133 1.00 0.00 H new ATOM 1083 N CYS A 77 -16.636 13.517 11.564 1.00 0.00 N ATOM 1084 CA CYS A 77 -16.212 13.548 12.959 1.00 0.00 C ATOM 1085 C CYS A 77 -16.844 12.404 13.745 1.00 0.00 C ATOM 1086 O CYS A 77 -17.031 12.500 14.957 1.00 0.00 O ATOM 1087 CB CYS A 77 -16.584 14.888 13.597 1.00 0.00 C ATOM 1088 SG CYS A 77 -15.468 16.244 13.168 1.00 0.00 S ATOM 0 H CYS A 77 -17.638 13.384 11.430 1.00 0.00 H new ATOM 0 HA CYS A 77 -15.129 13.429 12.987 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -17.596 15.155 13.293 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -16.597 14.771 14.681 1.00 0.00 H new ATOM 0 HG CYS A 77 -15.866 17.335 13.753 1.00 0.00 H new TER 1094 CYS A 77