USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 394 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 Single : A 1 ARG N :NH3+ 143:sc= -0.0796 (180deg=-0.365) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -74:sc= 0.28 USER MOD Single : A 20 SER OG : rot 59:sc= 0.372 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 69:sc= 0.852 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 25 GLN :FLIP amide:sc= 0.169 F(o=-2!,f=0.17) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -33:sc= 0.418 USER MOD Single : A 28 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.82) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 31 HIS : no HD1:sc= -0.0653 X(o=-0.065,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0279 USER MOD Single : A 34 THR OG1 : rot 28:sc= 0.0132 USER MOD Single : A 35 TYR OH : rot -106:sc= 0.158 USER MOD Single : A 36 SER OG : rot -144:sc= 0.983 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0.076) USER MOD Single : A 43 ASN : amide:sc= 0.398 X(o=0.4,f=0.78) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.352 K(o=0.35,f=-0.3) USER MOD Single : A 54 THR OG1 : rot -35:sc= 0.094 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.655 -5.891 3.080 1.00 0.00 N ATOM 2 CA ARG A 1 11.277 -5.394 2.945 1.00 0.00 C ATOM 3 C ARG A 1 10.301 -6.435 3.520 1.00 0.00 C ATOM 4 O ARG A 1 10.375 -7.612 3.164 1.00 0.00 O ATOM 5 CB ARG A 1 10.972 -5.028 1.495 1.00 0.00 C ATOM 6 CG ARG A 1 11.207 -6.123 0.443 1.00 0.00 C ATOM 7 CD ARG A 1 11.776 -5.502 -0.832 1.00 0.00 C ATOM 8 NE ARG A 1 13.251 -5.446 -0.839 1.00 0.00 N ATOM 9 CZ ARG A 1 14.015 -5.674 -1.919 1.00 0.00 C ATOM 10 NH1 ARG A 1 13.461 -6.086 -3.055 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.330 -5.500 -1.876 1.00 0.00 N ATOM 0 H1 ARG A 1 13.209 -5.609 2.246 1.00 0.00 H new ATOM 0 H2 ARG A 1 13.087 -5.487 3.935 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.644 -6.928 3.154 1.00 0.00 H new ATOM 0 HA ARG A 1 11.156 -4.476 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.929 -4.716 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.579 -4.163 1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.896 -6.872 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.270 -6.635 0.222 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.436 -6.078 -1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.379 -4.493 -0.946 1.00 0.00 H new ATOM 0 HE ARG A 1 13.722 -5.218 0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.453 -6.230 -3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 1 14.044 -6.258 -3.874 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.775 -5.188 -1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.895 -5.678 -2.706 1.00 0.00 H new ATOM 25 N PRO A 2 9.410 -6.042 4.442 1.00 0.00 N ATOM 26 CA PRO A 2 8.447 -6.940 5.075 1.00 0.00 C ATOM 27 C PRO A 2 7.393 -7.464 4.100 1.00 0.00 C ATOM 28 O PRO A 2 6.839 -6.730 3.292 1.00 0.00 O ATOM 29 CB PRO A 2 7.788 -6.110 6.177 1.00 0.00 C ATOM 30 CG PRO A 2 7.902 -4.686 5.650 1.00 0.00 C ATOM 31 CD PRO A 2 9.247 -4.686 4.933 1.00 0.00 C ATOM 0 HA PRO A 2 8.950 -7.828 5.457 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.749 -6.400 6.334 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.300 -6.229 7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.084 -4.441 4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.876 -3.955 6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.258 -3.966 4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.056 -4.412 5.610 1.00 0.00 H new ATOM 39 N ARG A 3 7.016 -8.737 4.240 1.00 0.00 N ATOM 40 CA ARG A 3 6.019 -9.349 3.363 1.00 0.00 C ATOM 41 C ARG A 3 4.596 -8.802 3.551 1.00 0.00 C ATOM 42 O ARG A 3 3.685 -9.227 2.850 1.00 0.00 O ATOM 43 CB ARG A 3 6.096 -10.886 3.413 1.00 0.00 C ATOM 44 CG ARG A 3 5.333 -11.575 4.552 1.00 0.00 C ATOM 45 CD ARG A 3 5.645 -11.033 5.948 1.00 0.00 C ATOM 46 NE ARG A 3 7.064 -11.243 6.263 1.00 0.00 N ATOM 47 CZ ARG A 3 7.726 -10.847 7.349 1.00 0.00 C ATOM 48 NH1 ARG A 3 7.169 -10.027 8.228 1.00 0.00 N ATOM 49 NH2 ARG A 3 8.960 -11.292 7.518 1.00 0.00 N ATOM 0 H ARG A 3 7.388 -9.364 4.954 1.00 0.00 H new ATOM 0 HA ARG A 3 6.280 -9.048 2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.722 -11.277 2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.145 -11.173 3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.263 -11.474 4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.561 -12.641 4.531 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.407 -9.970 5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 3 5.022 -11.533 6.689 1.00 0.00 H new ATOM 0 HE ARG A 3 7.608 -11.753 5.567 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.218 -9.689 8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.691 -9.734 9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.375 -11.918 6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.496 -11.009 8.338 1.00 0.00 H new ATOM 63 N PHE A 4 4.344 -7.922 4.528 1.00 0.00 N ATOM 64 CA PHE A 4 3.004 -7.366 4.698 1.00 0.00 C ATOM 65 C PHE A 4 2.739 -6.274 3.670 1.00 0.00 C ATOM 66 O PHE A 4 1.576 -5.994 3.382 1.00 0.00 O ATOM 67 CB PHE A 4 2.773 -6.813 6.112 1.00 0.00 C ATOM 68 CG PHE A 4 3.390 -5.460 6.418 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.809 -4.285 5.897 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.510 -5.365 7.261 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.377 -3.030 6.172 1.00 0.00 C ATOM 72 CE2 PHE A 4 5.085 -4.109 7.528 1.00 0.00 C ATOM 73 CZ PHE A 4 4.529 -2.941 6.972 1.00 0.00 C ATOM 0 H PHE A 4 5.037 -7.588 5.198 1.00 0.00 H new ATOM 0 HA PHE A 4 2.304 -8.188 4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.698 -6.744 6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.162 -7.536 6.829 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.923 -4.351 5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.930 -6.256 7.704 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.929 -2.134 5.769 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.957 -4.040 8.162 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.986 -1.981 7.160 1.00 0.00 H new ATOM 83 N CYS A 5 3.782 -5.612 3.158 1.00 0.00 N ATOM 84 CA CYS A 5 3.548 -4.550 2.194 1.00 0.00 C ATOM 85 C CYS A 5 3.381 -5.079 0.780 1.00 0.00 C ATOM 86 O CYS A 5 2.914 -4.328 -0.054 1.00 0.00 O ATOM 87 CB CYS A 5 4.611 -3.456 2.309 1.00 0.00 C ATOM 88 SG CYS A 5 6.341 -3.935 2.390 1.00 0.00 S ATOM 0 H CYS A 5 4.760 -5.788 3.388 1.00 0.00 H new ATOM 0 HA CYS A 5 2.594 -4.084 2.440 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.493 -2.790 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.388 -2.872 3.202 1.00 0.00 H new ATOM 93 N GLU A 6 3.690 -6.342 0.498 1.00 0.00 N ATOM 94 CA GLU A 6 3.570 -6.916 -0.850 1.00 0.00 C ATOM 95 C GLU A 6 2.267 -7.715 -1.022 1.00 0.00 C ATOM 96 O GLU A 6 2.219 -8.701 -1.766 1.00 0.00 O ATOM 97 CB GLU A 6 4.836 -7.742 -1.136 1.00 0.00 C ATOM 98 CG GLU A 6 5.004 -8.888 -0.134 1.00 0.00 C ATOM 99 CD GLU A 6 6.269 -9.708 -0.360 1.00 0.00 C ATOM 100 OE1 GLU A 6 7.351 -9.241 0.066 1.00 0.00 O ATOM 101 OE2 GLU A 6 6.163 -10.820 -0.935 1.00 0.00 O ATOM 0 H GLU A 6 4.032 -7.002 1.196 1.00 0.00 H new ATOM 0 HA GLU A 6 3.501 -6.119 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.785 -8.147 -2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.711 -7.093 -1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.021 -8.478 0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.137 -9.546 -0.197 1.00 0.00 H new ATOM 108 N LEU A 7 1.230 -7.382 -0.249 1.00 0.00 N ATOM 109 CA LEU A 7 -0.051 -8.082 -0.317 1.00 0.00 C ATOM 110 C LEU A 7 -0.933 -7.463 -1.397 1.00 0.00 C ATOM 111 O LEU A 7 -0.612 -6.414 -1.953 1.00 0.00 O ATOM 112 CB LEU A 7 -0.747 -8.074 1.053 1.00 0.00 C ATOM 113 CG LEU A 7 0.064 -8.716 2.191 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.785 -8.777 3.462 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.573 -10.117 1.888 1.00 0.00 C ATOM 0 H LEU A 7 1.256 -6.626 0.435 1.00 0.00 H new ATOM 0 HA LEU A 7 0.130 -9.123 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.974 -7.043 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.699 -8.597 0.964 1.00 0.00 H new ATOM 0 HG LEU A 7 0.940 -8.080 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.206 -9.233 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.077 -7.768 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.678 -9.374 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.134 -10.493 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.272 -10.776 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.223 -10.087 1.013 1.00 0.00 H new ATOM 127 N ALA A 8 -2.024 -8.144 -1.730 1.00 0.00 N ATOM 128 CA ALA A 8 -2.976 -7.682 -2.723 1.00 0.00 C ATOM 129 C ALA A 8 -4.140 -7.061 -1.954 1.00 0.00 C ATOM 130 O ALA A 8 -4.924 -7.804 -1.359 1.00 0.00 O ATOM 131 CB ALA A 8 -3.429 -8.831 -3.608 1.00 0.00 C ATOM 0 H ALA A 8 -2.271 -9.041 -1.312 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.530 -6.945 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.142 -8.463 -4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.566 -9.258 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.904 -9.597 -2.995 1.00 0.00 H new ATOM 137 N PRO A 9 -4.280 -5.733 -1.903 1.00 0.00 N ATOM 138 CA PRO A 9 -5.360 -5.087 -1.180 1.00 0.00 C ATOM 139 C PRO A 9 -6.702 -5.295 -1.893 1.00 0.00 C ATOM 140 O PRO A 9 -6.976 -4.608 -2.874 1.00 0.00 O ATOM 141 CB PRO A 9 -4.956 -3.613 -1.123 1.00 0.00 C ATOM 142 CG PRO A 9 -4.153 -3.429 -2.404 1.00 0.00 C ATOM 143 CD PRO A 9 -3.427 -4.757 -2.551 1.00 0.00 C ATOM 0 HA PRO A 9 -5.504 -5.500 -0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.826 -2.957 -1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.360 -3.392 -0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.799 -3.226 -3.259 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.456 -2.595 -2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.271 -5.006 -3.601 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.443 -4.722 -2.083 1.00 0.00 H new ATOM 151 N SER A 10 -7.546 -6.204 -1.397 1.00 0.00 N ATOM 152 CA SER A 10 -8.856 -6.470 -1.980 1.00 0.00 C ATOM 153 C SER A 10 -9.805 -5.307 -1.666 1.00 0.00 C ATOM 154 O SER A 10 -10.648 -5.371 -0.768 1.00 0.00 O ATOM 155 CB SER A 10 -9.433 -7.835 -1.565 1.00 0.00 C ATOM 156 OG SER A 10 -10.415 -8.275 -2.493 1.00 0.00 O ATOM 0 H SER A 10 -7.336 -6.775 -0.578 1.00 0.00 H new ATOM 0 HA SER A 10 -8.738 -6.537 -3.062 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.630 -8.570 -1.503 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.874 -7.761 -0.571 1.00 0.00 H new ATOM 0 HG SER A 10 -10.766 -9.145 -2.210 1.00 0.00 H new ATOM 162 N ALA A 11 -9.651 -4.206 -2.398 1.00 0.00 N ATOM 163 CA ALA A 11 -10.459 -3.007 -2.272 1.00 0.00 C ATOM 164 C ALA A 11 -11.888 -3.253 -2.777 1.00 0.00 C ATOM 165 O ALA A 11 -12.725 -2.356 -2.687 1.00 0.00 O ATOM 166 CB ALA A 11 -9.790 -1.875 -3.058 1.00 0.00 C ATOM 0 H ALA A 11 -8.934 -4.127 -3.119 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.530 -2.727 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.389 -0.968 -2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.794 -1.692 -2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.711 -2.158 -4.108 1.00 0.00 H new ATOM 172 N GLY A 12 -12.183 -4.444 -3.301 1.00 0.00 N ATOM 173 CA GLY A 12 -13.484 -4.815 -3.832 1.00 0.00 C ATOM 174 C GLY A 12 -14.428 -5.397 -2.787 1.00 0.00 C ATOM 175 O GLY A 12 -15.577 -5.681 -3.117 1.00 0.00 O ATOM 0 H GLY A 12 -11.497 -5.196 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.948 -3.936 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.346 -5.544 -4.631 1.00 0.00 H new ATOM 179 N SER A 13 -13.972 -5.555 -1.542 1.00 0.00 N ATOM 180 CA SER A 13 -14.750 -6.104 -0.440 1.00 0.00 C ATOM 181 C SER A 13 -16.087 -5.375 -0.273 1.00 0.00 C ATOM 182 O SER A 13 -17.138 -6.011 -0.130 1.00 0.00 O ATOM 183 CB SER A 13 -13.886 -5.983 0.823 1.00 0.00 C ATOM 184 OG SER A 13 -14.481 -6.528 1.985 1.00 0.00 O ATOM 0 H SER A 13 -13.024 -5.296 -1.270 1.00 0.00 H new ATOM 0 HA SER A 13 -15.001 -7.146 -0.636 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.933 -6.482 0.647 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.666 -4.930 1.000 1.00 0.00 H new ATOM 0 HG SER A 13 -15.199 -5.936 2.293 1.00 0.00 H new ATOM 190 N CYS A 14 -16.056 -4.041 -0.292 1.00 0.00 N ATOM 191 CA CYS A 14 -17.213 -3.179 -0.121 1.00 0.00 C ATOM 192 C CYS A 14 -17.048 -1.954 -1.016 1.00 0.00 C ATOM 193 O CYS A 14 -15.929 -1.645 -1.438 1.00 0.00 O ATOM 194 CB CYS A 14 -17.272 -2.747 1.352 1.00 0.00 C ATOM 195 SG CYS A 14 -16.869 -4.057 2.558 1.00 0.00 S ATOM 0 H CYS A 14 -15.191 -3.519 -0.432 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.132 -3.700 -0.391 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.583 -1.915 1.499 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.273 -2.373 1.565 1.00 0.00 H new ATOM 200 N PHE A 15 -18.148 -1.264 -1.312 1.00 0.00 N ATOM 201 CA PHE A 15 -18.113 -0.065 -2.136 1.00 0.00 C ATOM 202 C PHE A 15 -18.030 1.116 -1.181 1.00 0.00 C ATOM 203 O PHE A 15 -18.991 1.397 -0.458 1.00 0.00 O ATOM 204 CB PHE A 15 -19.344 0.010 -3.053 1.00 0.00 C ATOM 205 CG PHE A 15 -19.457 1.236 -3.954 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.494 2.551 -3.439 1.00 0.00 C ATOM 207 CD2 PHE A 15 -19.567 1.060 -5.345 1.00 0.00 C ATOM 208 CE1 PHE A 15 -19.534 3.657 -4.298 1.00 0.00 C ATOM 209 CE2 PHE A 15 -19.696 2.163 -6.200 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.643 3.464 -5.682 1.00 0.00 C ATOM 0 H PHE A 15 -19.081 -1.521 -0.988 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.252 -0.066 -2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -19.351 -0.878 -3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -20.236 -0.036 -2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -19.491 2.706 -2.370 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -19.552 0.063 -5.759 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -19.481 4.657 -3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.836 2.010 -7.260 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.686 4.314 -6.346 1.00 0.00 H new ATOM 220 N ALA A 16 -16.855 1.735 -1.125 1.00 0.00 N ATOM 221 CA ALA A 16 -16.519 2.912 -0.342 1.00 0.00 C ATOM 222 C ALA A 16 -15.429 3.664 -1.119 1.00 0.00 C ATOM 223 O ALA A 16 -14.902 3.126 -2.097 1.00 0.00 O ATOM 224 CB ALA A 16 -16.040 2.484 1.043 1.00 0.00 C ATOM 0 H ALA A 16 -16.058 1.400 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.379 3.564 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.788 3.367 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.831 1.928 1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.158 1.851 0.943 1.00 0.00 H new ATOM 230 N PHE A 17 -15.053 4.871 -0.701 1.00 0.00 N ATOM 231 CA PHE A 17 -14.007 5.654 -1.364 1.00 0.00 C ATOM 232 C PHE A 17 -12.997 6.213 -0.359 1.00 0.00 C ATOM 233 O PHE A 17 -13.255 7.255 0.267 1.00 0.00 O ATOM 234 CB PHE A 17 -14.637 6.745 -2.242 1.00 0.00 C ATOM 235 CG PHE A 17 -13.802 7.229 -3.420 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.429 7.500 -3.275 1.00 0.00 C ATOM 237 CD2 PHE A 17 -14.408 7.443 -4.672 1.00 0.00 C ATOM 238 CE1 PHE A 17 -11.667 7.970 -4.356 1.00 0.00 C ATOM 239 CE2 PHE A 17 -13.652 7.931 -5.752 1.00 0.00 C ATOM 240 CZ PHE A 17 -12.282 8.192 -5.595 1.00 0.00 C ATOM 0 H PHE A 17 -15.464 5.336 0.108 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.440 4.993 -2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.585 6.370 -2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -14.866 7.603 -1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.954 7.344 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.459 7.231 -4.804 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.611 8.160 -4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.127 8.106 -6.706 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.703 8.563 -6.428 1.00 0.00 H new ATOM 250 N VAL A 18 -11.858 5.561 -0.177 1.00 0.00 N ATOM 251 CA VAL A 18 -10.792 5.992 0.721 1.00 0.00 C ATOM 252 C VAL A 18 -9.469 5.792 -0.031 1.00 0.00 C ATOM 253 O VAL A 18 -8.902 4.689 0.000 1.00 0.00 O ATOM 254 CB VAL A 18 -10.885 5.297 2.094 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.957 5.975 2.949 1.00 0.00 C ATOM 256 CG2 VAL A 18 -11.220 3.805 2.048 1.00 0.00 C ATOM 0 H VAL A 18 -11.642 4.691 -0.664 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.877 7.047 0.980 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.884 5.392 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.017 5.479 3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.697 7.024 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.921 5.906 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.262 3.410 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.186 3.664 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.451 3.277 1.485 1.00 0.00 H new ATOM 266 N PRO A 19 -8.956 6.809 -0.743 1.00 0.00 N ATOM 267 CA PRO A 19 -7.718 6.652 -1.480 1.00 0.00 C ATOM 268 C PRO A 19 -6.626 6.362 -0.467 1.00 0.00 C ATOM 269 O PRO A 19 -6.448 7.119 0.490 1.00 0.00 O ATOM 270 CB PRO A 19 -7.506 7.940 -2.276 1.00 0.00 C ATOM 271 CG PRO A 19 -8.281 8.975 -1.472 1.00 0.00 C ATOM 272 CD PRO A 19 -9.446 8.175 -0.892 1.00 0.00 C ATOM 0 HA PRO A 19 -7.722 5.827 -2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.450 8.197 -2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.887 7.852 -3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.667 9.416 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.630 9.794 -2.102 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.762 8.584 0.068 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.312 8.210 -1.553 1.00 0.00 H new ATOM 280 N SER A 20 -5.966 5.219 -0.620 1.00 0.00 N ATOM 281 CA SER A 20 -4.883 4.814 0.265 1.00 0.00 C ATOM 282 C SER A 20 -3.596 4.655 -0.563 1.00 0.00 C ATOM 283 O SER A 20 -3.587 5.028 -1.737 1.00 0.00 O ATOM 284 CB SER A 20 -5.329 3.587 1.049 1.00 0.00 C ATOM 285 OG SER A 20 -6.570 3.835 1.703 1.00 0.00 O ATOM 0 H SER A 20 -6.168 4.548 -1.361 1.00 0.00 H new ATOM 0 HA SER A 20 -4.644 5.566 1.017 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.430 2.735 0.376 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.570 3.323 1.785 1.00 0.00 H new ATOM 0 HG SER A 20 -7.248 4.074 1.037 1.00 0.00 H new ATOM 291 N TYR A 21 -2.479 4.196 0.003 1.00 0.00 N ATOM 292 CA TYR A 21 -1.234 4.009 -0.743 1.00 0.00 C ATOM 293 C TYR A 21 -0.879 2.529 -0.837 1.00 0.00 C ATOM 294 O TYR A 21 -1.123 1.770 0.100 1.00 0.00 O ATOM 295 CB TYR A 21 -0.064 4.756 -0.126 1.00 0.00 C ATOM 296 CG TYR A 21 0.159 6.204 -0.504 1.00 0.00 C ATOM 297 CD1 TYR A 21 -0.692 7.197 0.003 1.00 0.00 C ATOM 298 CD2 TYR A 21 1.269 6.569 -1.296 1.00 0.00 C ATOM 299 CE1 TYR A 21 -0.458 8.547 -0.298 1.00 0.00 C ATOM 300 CE2 TYR A 21 1.485 7.912 -1.637 1.00 0.00 C ATOM 301 CZ TYR A 21 0.625 8.906 -1.127 1.00 0.00 C ATOM 302 OH TYR A 21 0.863 10.214 -1.386 1.00 0.00 O ATOM 0 H TYR A 21 -2.412 3.944 0.989 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.411 4.418 -1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.179 4.712 0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.845 4.207 -0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.530 6.922 0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.955 5.810 -1.641 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.107 9.311 0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.305 8.183 -2.286 1.00 0.00 H new ATOM 0 HH TYR A 21 1.645 10.295 -1.972 1.00 0.00 H new ATOM 312 N TYR A 22 -0.334 2.166 -1.995 1.00 0.00 N ATOM 313 CA TYR A 22 0.124 0.856 -2.431 1.00 0.00 C ATOM 314 C TYR A 22 1.655 0.854 -2.408 1.00 0.00 C ATOM 315 O TYR A 22 2.282 1.916 -2.380 1.00 0.00 O ATOM 316 CB TYR A 22 -0.396 0.621 -3.869 1.00 0.00 C ATOM 317 CG TYR A 22 -0.579 -0.823 -4.310 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.515 -1.629 -4.681 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.877 -1.351 -4.408 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.334 -2.980 -5.029 1.00 0.00 C ATOM 321 CE2 TYR A 22 -2.080 -2.668 -4.843 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.977 -3.505 -5.120 1.00 0.00 C ATOM 323 OH TYR A 22 -1.202 -4.796 -5.485 1.00 0.00 O ATOM 0 H TYR A 22 -0.188 2.860 -2.728 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.246 0.064 -1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.355 1.130 -3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.295 1.102 -4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.507 -1.203 -4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.726 -0.737 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.188 -3.611 -5.225 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.085 -3.044 -4.967 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.166 -4.971 -5.489 1.00 0.00 H new ATOM 333 N TYR A 23 2.253 -0.329 -2.464 1.00 0.00 N ATOM 334 CA TYR A 23 3.700 -0.564 -2.470 1.00 0.00 C ATOM 335 C TYR A 23 4.072 -1.398 -3.699 1.00 0.00 C ATOM 336 O TYR A 23 3.515 -2.475 -3.897 1.00 0.00 O ATOM 337 CB TYR A 23 4.099 -1.291 -1.186 1.00 0.00 C ATOM 338 CG TYR A 23 5.539 -1.774 -1.164 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.604 -0.864 -1.289 1.00 0.00 C ATOM 340 CD2 TYR A 23 5.818 -3.147 -1.055 1.00 0.00 C ATOM 341 CE1 TYR A 23 7.934 -1.311 -1.296 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.142 -3.600 -0.991 1.00 0.00 C ATOM 343 CZ TYR A 23 8.204 -2.686 -1.158 1.00 0.00 C ATOM 344 OH TYR A 23 9.477 -3.145 -1.225 1.00 0.00 O ATOM 0 H TYR A 23 1.720 -1.197 -2.509 1.00 0.00 H new ATOM 0 HA TYR A 23 4.233 0.386 -2.516 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.939 -0.623 -0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.439 -2.147 -1.046 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.396 0.192 -1.381 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.006 -3.858 -1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.744 -0.606 -1.406 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.349 -4.645 -0.814 1.00 0.00 H new ATOM 0 HH TYR A 23 9.977 -2.839 -0.439 1.00 0.00 H new ATOM 354 N ASN A 24 4.979 -0.904 -4.548 1.00 0.00 N ATOM 355 CA ASN A 24 5.419 -1.592 -5.755 1.00 0.00 C ATOM 356 C ASN A 24 6.882 -1.957 -5.563 1.00 0.00 C ATOM 357 O ASN A 24 7.765 -1.208 -5.986 1.00 0.00 O ATOM 358 CB ASN A 24 5.233 -0.751 -7.035 1.00 0.00 C ATOM 359 CG ASN A 24 3.797 -0.313 -7.320 1.00 0.00 C ATOM 360 OD1 ASN A 24 2.844 -1.079 -7.195 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.604 0.943 -7.694 1.00 0.00 N ATOM 0 H ASN A 24 5.432 -0.001 -4.409 1.00 0.00 H new ATOM 0 HA ASN A 24 4.802 -2.479 -5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.860 0.138 -6.961 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.596 -1.327 -7.886 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.660 1.280 -7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.400 1.573 -7.796 1.00 0.00 H new ATOM 368 N GLN A 25 7.156 -3.105 -4.937 1.00 0.00 N ATOM 369 CA GLN A 25 8.516 -3.582 -4.697 1.00 0.00 C ATOM 370 C GLN A 25 9.269 -3.724 -6.017 1.00 0.00 C ATOM 371 O GLN A 25 10.462 -3.436 -6.057 1.00 0.00 O ATOM 372 CB GLN A 25 8.557 -4.867 -3.843 1.00 0.00 C ATOM 373 CG GLN A 25 8.249 -6.224 -4.487 1.00 0.00 C ATOM 374 CD GLN A 25 6.830 -6.427 -5.016 1.00 0.00 C ATOM 375 OE1 GLN A 25 5.810 -5.752 -4.505 1.00 0.00 O flip ATOM 376 NE2 GLN A 25 6.645 -7.223 -5.926 1.00 0.00 N flip ATOM 0 H GLN A 25 6.434 -3.732 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 25 9.032 -2.830 -4.100 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.553 -4.934 -3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.856 -4.732 -3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.945 -6.374 -5.313 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.453 -7.003 -3.753 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.431 -7.741 -6.318 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.705 -7.368 -6.293 1.00 0.00 H new ATOM 385 N TYR A 26 8.557 -4.088 -7.094 1.00 0.00 N ATOM 386 CA TYR A 26 9.121 -4.246 -8.427 1.00 0.00 C ATOM 387 C TYR A 26 9.810 -2.961 -8.885 1.00 0.00 C ATOM 388 O TYR A 26 10.844 -3.017 -9.547 1.00 0.00 O ATOM 389 CB TYR A 26 8.019 -4.562 -9.446 1.00 0.00 C ATOM 390 CG TYR A 26 7.072 -5.693 -9.114 1.00 0.00 C ATOM 391 CD1 TYR A 26 7.501 -7.025 -9.220 1.00 0.00 C ATOM 392 CD2 TYR A 26 5.743 -5.415 -8.745 1.00 0.00 C ATOM 393 CE1 TYR A 26 6.609 -8.084 -8.980 1.00 0.00 C ATOM 394 CE2 TYR A 26 4.853 -6.463 -8.468 1.00 0.00 C ATOM 395 CZ TYR A 26 5.281 -7.805 -8.586 1.00 0.00 C ATOM 396 OH TYR A 26 4.412 -8.817 -8.317 1.00 0.00 O ATOM 0 H TYR A 26 7.556 -4.282 -7.054 1.00 0.00 H new ATOM 0 HA TYR A 26 9.841 -5.063 -8.374 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.427 -3.659 -9.594 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.496 -4.790 -10.399 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.525 -7.238 -9.488 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.407 -4.391 -8.675 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.937 -9.106 -9.096 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.840 -6.244 -8.164 1.00 0.00 H new ATOM 0 HH TYR A 26 3.544 -8.443 -8.060 1.00 0.00 H new ATOM 406 N SER A 27 9.227 -1.814 -8.533 1.00 0.00 N ATOM 407 CA SER A 27 9.708 -0.487 -8.875 1.00 0.00 C ATOM 408 C SER A 27 10.392 0.187 -7.684 1.00 0.00 C ATOM 409 O SER A 27 10.736 1.362 -7.800 1.00 0.00 O ATOM 410 CB SER A 27 8.522 0.323 -9.425 1.00 0.00 C ATOM 411 OG SER A 27 8.896 1.586 -9.943 1.00 0.00 O ATOM 0 H SER A 27 8.371 -1.790 -7.979 1.00 0.00 H new ATOM 0 HA SER A 27 10.477 -0.550 -9.645 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.031 -0.253 -10.210 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.790 0.467 -8.630 1.00 0.00 H new ATOM 0 HG SER A 27 9.655 1.937 -9.432 1.00 0.00 H new ATOM 417 N ASN A 28 10.600 -0.518 -6.563 1.00 0.00 N ATOM 418 CA ASN A 28 11.221 -0.043 -5.330 1.00 0.00 C ATOM 419 C ASN A 28 10.645 1.325 -4.950 1.00 0.00 C ATOM 420 O ASN A 28 11.368 2.303 -4.775 1.00 0.00 O ATOM 421 CB ASN A 28 12.757 -0.087 -5.508 1.00 0.00 C ATOM 422 CG ASN A 28 13.603 0.543 -4.402 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.217 1.582 -4.613 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.713 -0.064 -3.232 1.00 0.00 N ATOM 0 H ASN A 28 10.319 -1.496 -6.495 1.00 0.00 H new ATOM 0 HA ASN A 28 10.992 -0.687 -4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.056 -1.130 -5.610 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.003 0.409 -6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.309 0.333 -2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.202 -0.929 -3.056 1.00 0.00 H new ATOM 431 N THR A 29 9.315 1.419 -4.901 1.00 0.00 N ATOM 432 CA THR A 29 8.609 2.647 -4.560 1.00 0.00 C ATOM 433 C THR A 29 7.212 2.291 -4.041 1.00 0.00 C ATOM 434 O THR A 29 6.882 1.119 -3.839 1.00 0.00 O ATOM 435 CB THR A 29 8.581 3.595 -5.782 1.00 0.00 C ATOM 436 OG1 THR A 29 8.154 4.894 -5.423 1.00 0.00 O ATOM 437 CG2 THR A 29 7.662 3.102 -6.900 1.00 0.00 C ATOM 0 H THR A 29 8.695 0.634 -5.100 1.00 0.00 H new ATOM 0 HA THR A 29 9.126 3.184 -3.764 1.00 0.00 H new ATOM 0 HB THR A 29 9.609 3.614 -6.145 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.149 5.468 -6.217 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.685 3.810 -7.729 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.002 2.126 -7.246 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.643 3.019 -6.523 1.00 0.00 H new ATOM 445 N CYS A 30 6.405 3.314 -3.789 1.00 0.00 N ATOM 446 CA CYS A 30 5.039 3.253 -3.314 1.00 0.00 C ATOM 447 C CYS A 30 4.266 4.291 -4.116 1.00 0.00 C ATOM 448 O CYS A 30 4.861 5.251 -4.605 1.00 0.00 O ATOM 449 CB CYS A 30 4.986 3.578 -1.822 1.00 0.00 C ATOM 450 SG CYS A 30 6.263 2.792 -0.808 1.00 0.00 S ATOM 0 H CYS A 30 6.716 4.276 -3.923 1.00 0.00 H new ATOM 0 HA CYS A 30 4.613 2.258 -3.443 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.064 4.658 -1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.009 3.283 -1.438 1.00 0.00 H new ATOM 455 N HIS A 31 2.953 4.136 -4.242 1.00 0.00 N ATOM 456 CA HIS A 31 2.139 5.070 -4.997 1.00 0.00 C ATOM 457 C HIS A 31 0.712 5.027 -4.481 1.00 0.00 C ATOM 458 O HIS A 31 0.290 4.018 -3.918 1.00 0.00 O ATOM 459 CB HIS A 31 2.173 4.650 -6.470 1.00 0.00 C ATOM 460 CG HIS A 31 1.746 5.745 -7.403 1.00 0.00 C ATOM 461 ND1 HIS A 31 0.749 5.693 -8.351 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.350 6.965 -7.486 1.00 0.00 C ATOM 463 CE1 HIS A 31 0.747 6.868 -9.002 1.00 0.00 C ATOM 464 NE2 HIS A 31 1.693 7.684 -8.494 1.00 0.00 N ATOM 0 H HIS A 31 2.430 3.365 -3.826 1.00 0.00 H new ATOM 0 HA HIS A 31 2.522 6.085 -4.889 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.184 4.334 -6.728 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.523 3.786 -6.611 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.179 7.312 -6.887 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.083 7.123 -9.815 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.892 8.641 -8.787 1.00 0.00 H new ATOM 472 N SER A 32 -0.059 6.093 -4.661 1.00 0.00 N ATOM 473 CA SER A 32 -1.432 6.104 -4.197 1.00 0.00 C ATOM 474 C SER A 32 -2.306 5.186 -5.063 1.00 0.00 C ATOM 475 O SER A 32 -2.056 5.025 -6.260 1.00 0.00 O ATOM 476 CB SER A 32 -1.928 7.542 -4.143 1.00 0.00 C ATOM 477 OG SER A 32 -1.603 8.259 -5.318 1.00 0.00 O ATOM 0 H SER A 32 0.244 6.951 -5.121 1.00 0.00 H new ATOM 0 HA SER A 32 -1.494 5.700 -3.186 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.009 7.548 -4.002 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.491 8.044 -3.280 1.00 0.00 H new ATOM 0 HG SER A 32 -1.940 9.176 -5.245 1.00 0.00 H new ATOM 483 N PHE A 33 -3.326 4.572 -4.465 1.00 0.00 N ATOM 484 CA PHE A 33 -4.297 3.675 -5.092 1.00 0.00 C ATOM 485 C PHE A 33 -5.670 3.918 -4.443 1.00 0.00 C ATOM 486 O PHE A 33 -5.812 4.829 -3.623 1.00 0.00 O ATOM 487 CB PHE A 33 -3.840 2.207 -5.045 1.00 0.00 C ATOM 488 CG PHE A 33 -4.162 1.449 -3.768 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.537 1.792 -2.561 1.00 0.00 C ATOM 490 CD2 PHE A 33 -5.074 0.378 -3.785 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.857 1.107 -1.375 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.377 -0.319 -2.605 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.763 0.041 -1.395 1.00 0.00 C ATOM 0 H PHE A 33 -3.508 4.695 -3.469 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.379 3.896 -6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.296 1.678 -5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.761 2.178 -5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.806 2.587 -2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.545 0.090 -4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.400 1.406 -0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.085 -1.135 -2.628 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.988 -0.500 -0.488 1.00 0.00 H new ATOM 503 N THR A 34 -6.704 3.197 -4.862 1.00 0.00 N ATOM 504 CA THR A 34 -8.058 3.344 -4.324 1.00 0.00 C ATOM 505 C THR A 34 -8.355 2.163 -3.414 1.00 0.00 C ATOM 506 O THR A 34 -8.136 1.020 -3.826 1.00 0.00 O ATOM 507 CB THR A 34 -9.091 3.513 -5.454 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.980 2.488 -6.419 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.944 4.865 -6.156 1.00 0.00 C ATOM 0 H THR A 34 -6.629 2.487 -5.591 1.00 0.00 H new ATOM 0 HA THR A 34 -8.128 4.254 -3.728 1.00 0.00 H new ATOM 0 HB THR A 34 -10.071 3.458 -4.980 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.619 1.680 -5.998 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.690 4.947 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.091 5.668 -5.434 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.946 4.944 -6.588 1.00 0.00 H new ATOM 517 N TYR A 35 -8.768 2.432 -2.169 1.00 0.00 N ATOM 518 CA TYR A 35 -9.106 1.405 -1.189 1.00 0.00 C ATOM 519 C TYR A 35 -10.542 1.648 -0.695 1.00 0.00 C ATOM 520 O TYR A 35 -11.076 2.746 -0.873 1.00 0.00 O ATOM 521 CB TYR A 35 -8.078 1.413 -0.050 1.00 0.00 C ATOM 522 CG TYR A 35 -7.990 0.196 0.868 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.376 -1.000 0.441 1.00 0.00 C ATOM 524 CD2 TYR A 35 -8.370 0.314 2.220 1.00 0.00 C ATOM 525 CE1 TYR A 35 -7.015 -1.992 1.370 1.00 0.00 C ATOM 526 CE2 TYR A 35 -8.108 -0.728 3.131 1.00 0.00 C ATOM 527 CZ TYR A 35 -7.343 -1.845 2.731 1.00 0.00 C ATOM 528 OH TYR A 35 -6.853 -2.719 3.656 1.00 0.00 O ATOM 0 H TYR A 35 -8.876 3.382 -1.815 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.069 0.412 -1.638 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.094 1.564 -0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.283 2.283 0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.181 -1.155 -0.610 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.866 1.211 2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.483 -2.871 1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.493 -0.672 4.138 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.568 -3.323 3.947 1.00 0.00 H new ATOM 538 N SER A 36 -11.133 0.683 0.017 1.00 0.00 N ATOM 539 CA SER A 36 -12.497 0.783 0.546 1.00 0.00 C ATOM 540 C SER A 36 -12.557 0.799 2.081 1.00 0.00 C ATOM 541 O SER A 36 -13.618 1.067 2.642 1.00 0.00 O ATOM 542 CB SER A 36 -13.368 -0.324 -0.057 1.00 0.00 C ATOM 543 OG SER A 36 -12.685 -1.562 -0.116 1.00 0.00 O ATOM 0 H SER A 36 -10.673 -0.199 0.245 1.00 0.00 H new ATOM 0 HA SER A 36 -12.897 1.750 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.274 -0.438 0.538 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.680 -0.034 -1.060 1.00 0.00 H new ATOM 0 HG SER A 36 -12.953 -2.045 -0.925 1.00 0.00 H new ATOM 549 N GLY A 37 -11.449 0.539 2.786 1.00 0.00 N ATOM 550 CA GLY A 37 -11.361 0.539 4.250 1.00 0.00 C ATOM 551 C GLY A 37 -11.959 -0.721 4.866 1.00 0.00 C ATOM 552 O GLY A 37 -11.281 -1.427 5.607 1.00 0.00 O ATOM 0 H GLY A 37 -10.560 0.316 2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.316 0.626 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.879 1.414 4.643 1.00 0.00 H new ATOM 556 N CYS A 38 -13.202 -1.011 4.493 1.00 0.00 N ATOM 557 CA CYS A 38 -14.055 -2.122 4.891 1.00 0.00 C ATOM 558 C CYS A 38 -13.456 -3.508 4.635 1.00 0.00 C ATOM 559 O CYS A 38 -13.995 -4.493 5.132 1.00 0.00 O ATOM 560 CB CYS A 38 -15.340 -1.947 4.072 1.00 0.00 C ATOM 561 SG CYS A 38 -16.707 -3.102 4.333 1.00 0.00 S ATOM 0 H CYS A 38 -13.687 -0.405 3.832 1.00 0.00 H new ATOM 0 HA CYS A 38 -14.209 -2.091 5.970 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -15.717 -0.942 4.261 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -15.067 -1.992 3.018 1.00 0.00 H new ATOM 566 N GLY A 39 -12.391 -3.615 3.842 1.00 0.00 N ATOM 567 CA GLY A 39 -11.750 -4.875 3.522 1.00 0.00 C ATOM 568 C GLY A 39 -10.311 -4.638 3.119 1.00 0.00 C ATOM 569 O GLY A 39 -9.689 -3.661 3.538 1.00 0.00 O ATOM 0 H GLY A 39 -11.947 -2.810 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.790 -5.541 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.286 -5.369 2.712 1.00 0.00 H new ATOM 573 N GLY A 40 -9.776 -5.533 2.296 1.00 0.00 N ATOM 574 CA GLY A 40 -8.418 -5.439 1.811 1.00 0.00 C ATOM 575 C GLY A 40 -7.398 -6.086 2.738 1.00 0.00 C ATOM 576 O GLY A 40 -7.748 -6.782 3.690 1.00 0.00 O ATOM 0 H GLY A 40 -10.282 -6.347 1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.357 -5.911 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.160 -4.389 1.676 1.00 0.00 H new ATOM 580 N ASN A 41 -6.118 -5.895 2.403 1.00 0.00 N ATOM 581 CA ASN A 41 -4.978 -6.440 3.140 1.00 0.00 C ATOM 582 C ASN A 41 -3.999 -5.339 3.551 1.00 0.00 C ATOM 583 O ASN A 41 -4.114 -4.194 3.090 1.00 0.00 O ATOM 584 CB ASN A 41 -4.288 -7.532 2.302 1.00 0.00 C ATOM 585 CG ASN A 41 -5.105 -8.816 2.298 1.00 0.00 C ATOM 586 OD1 ASN A 41 -5.845 -9.095 1.364 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.027 -9.610 3.347 1.00 0.00 N ATOM 0 H ASN A 41 -5.841 -5.343 1.591 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.343 -6.893 4.062 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.153 -7.180 1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.295 -7.730 2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.585 -10.463 3.384 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.408 -9.372 4.122 1.00 0.00 H new ATOM 594 N ALA A 42 -2.982 -5.735 4.332 1.00 0.00 N ATOM 595 CA ALA A 42 -1.922 -4.908 4.902 1.00 0.00 C ATOM 596 C ALA A 42 -1.086 -4.094 3.914 1.00 0.00 C ATOM 597 O ALA A 42 -0.380 -3.194 4.366 1.00 0.00 O ATOM 598 CB ALA A 42 -1.010 -5.766 5.781 1.00 0.00 C ATOM 0 H ALA A 42 -2.877 -6.714 4.597 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.450 -4.155 5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.221 -5.144 6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.594 -6.209 6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.564 -6.558 5.179 1.00 0.00 H new ATOM 604 N ASN A 43 -1.159 -4.361 2.602 1.00 0.00 N ATOM 605 CA ASN A 43 -0.417 -3.590 1.595 1.00 0.00 C ATOM 606 C ASN A 43 -0.836 -2.111 1.627 1.00 0.00 C ATOM 607 O ASN A 43 -0.125 -1.258 1.104 1.00 0.00 O ATOM 608 CB ASN A 43 -0.645 -4.216 0.214 1.00 0.00 C ATOM 609 CG ASN A 43 -0.213 -3.378 -0.991 1.00 0.00 C ATOM 610 OD1 ASN A 43 0.814 -3.580 -1.613 1.00 0.00 O ATOM 611 ND2 ASN A 43 -1.045 -2.480 -1.457 1.00 0.00 N ATOM 0 H ASN A 43 -1.729 -5.111 2.212 1.00 0.00 H new ATOM 0 HA ASN A 43 0.649 -3.623 1.819 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.113 -5.167 0.178 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.707 -4.440 0.111 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.823 -1.976 -2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.915 -2.285 -0.962 1.00 0.00 H new ATOM 618 N ARG A 44 -1.966 -1.785 2.268 1.00 0.00 N ATOM 619 CA ARG A 44 -2.442 -0.422 2.370 1.00 0.00 C ATOM 620 C ARG A 44 -1.537 0.362 3.329 1.00 0.00 C ATOM 621 O ARG A 44 -1.218 -0.093 4.427 1.00 0.00 O ATOM 622 CB ARG A 44 -3.861 -0.461 2.968 1.00 0.00 C ATOM 623 CG ARG A 44 -4.527 0.920 2.989 1.00 0.00 C ATOM 624 CD ARG A 44 -5.453 1.133 4.191 1.00 0.00 C ATOM 625 NE ARG A 44 -5.927 2.520 4.204 1.00 0.00 N ATOM 626 CZ ARG A 44 -5.450 3.533 4.935 1.00 0.00 C ATOM 627 NH1 ARG A 44 -4.581 3.343 5.925 1.00 0.00 N ATOM 628 NH2 ARG A 44 -5.852 4.753 4.611 1.00 0.00 N ATOM 0 H ARG A 44 -2.568 -2.468 2.727 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.440 0.053 1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.477 -1.149 2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.813 -0.853 3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.753 1.688 2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.100 1.053 2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.300 0.449 4.137 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.922 0.910 5.116 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.709 2.737 3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.258 2.401 6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.238 4.139 6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.498 4.887 3.833 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.516 5.558 5.139 1.00 0.00 H new ATOM 642 N PHE A 45 -1.214 1.581 2.920 1.00 0.00 N ATOM 643 CA PHE A 45 -0.421 2.578 3.611 1.00 0.00 C ATOM 644 C PHE A 45 -1.195 3.892 3.547 1.00 0.00 C ATOM 645 O PHE A 45 -2.183 4.015 2.817 1.00 0.00 O ATOM 646 CB PHE A 45 0.942 2.746 2.926 1.00 0.00 C ATOM 647 CG PHE A 45 1.946 1.699 3.314 1.00 0.00 C ATOM 648 CD1 PHE A 45 2.632 1.810 4.536 1.00 0.00 C ATOM 649 CD2 PHE A 45 2.224 0.639 2.440 1.00 0.00 C ATOM 650 CE1 PHE A 45 3.580 0.842 4.896 1.00 0.00 C ATOM 651 CE2 PHE A 45 3.199 -0.304 2.787 1.00 0.00 C ATOM 652 CZ PHE A 45 3.882 -0.208 4.013 1.00 0.00 C ATOM 0 H PHE A 45 -1.531 1.924 2.013 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.243 2.276 4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.801 2.719 1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.343 3.730 3.171 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.429 2.640 5.197 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.690 0.550 1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.078 0.904 5.852 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.429 -1.112 2.108 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.634 -0.938 4.274 1.00 0.00 H new ATOM 662 N ARG A 46 -0.700 4.891 4.279 1.00 0.00 N ATOM 663 CA ARG A 46 -1.269 6.235 4.352 1.00 0.00 C ATOM 664 C ARG A 46 -0.367 7.272 3.688 1.00 0.00 C ATOM 665 O ARG A 46 -0.815 8.386 3.429 1.00 0.00 O ATOM 666 CB ARG A 46 -1.662 6.598 5.796 1.00 0.00 C ATOM 667 CG ARG A 46 -0.818 6.015 6.940 1.00 0.00 C ATOM 668 CD ARG A 46 0.685 6.285 6.894 1.00 0.00 C ATOM 669 NE ARG A 46 0.984 7.727 6.942 1.00 0.00 N ATOM 670 CZ ARG A 46 1.442 8.397 8.007 1.00 0.00 C ATOM 671 NH1 ARG A 46 1.644 7.805 9.175 1.00 0.00 N ATOM 672 NH2 ARG A 46 1.725 9.683 7.902 1.00 0.00 N ATOM 0 H ARG A 46 0.135 4.782 4.855 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.194 6.241 3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.641 7.684 5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.695 6.286 5.950 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.205 6.406 7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.969 4.936 6.958 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.170 5.785 7.733 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.103 5.857 5.983 1.00 0.00 H new ATOM 0 HE ARG A 46 0.828 8.262 6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.450 6.809 9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.994 8.345 9.967 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.594 10.163 7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.074 10.196 8.711 1.00 0.00 H new ATOM 686 N THR A 47 0.902 6.945 3.443 1.00 0.00 N ATOM 687 CA THR A 47 1.850 7.830 2.789 1.00 0.00 C ATOM 688 C THR A 47 3.026 7.011 2.283 1.00 0.00 C ATOM 689 O THR A 47 3.326 5.923 2.798 1.00 0.00 O ATOM 690 CB THR A 47 2.310 8.967 3.723 1.00 0.00 C ATOM 691 OG1 THR A 47 3.061 9.918 2.998 1.00 0.00 O ATOM 692 CG2 THR A 47 3.217 8.433 4.833 1.00 0.00 C ATOM 0 H THR A 47 1.301 6.042 3.700 1.00 0.00 H new ATOM 0 HA THR A 47 1.359 8.311 1.943 1.00 0.00 H new ATOM 0 HB THR A 47 1.413 9.415 4.150 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.347 10.637 3.600 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.527 9.256 5.477 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.674 7.695 5.423 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.098 7.967 4.391 1.00 0.00 H new ATOM 700 N ILE A 48 3.684 7.550 1.263 1.00 0.00 N ATOM 701 CA ILE A 48 4.862 6.968 0.656 1.00 0.00 C ATOM 702 C ILE A 48 6.027 7.127 1.631 1.00 0.00 C ATOM 703 O ILE A 48 6.942 6.317 1.601 1.00 0.00 O ATOM 704 CB ILE A 48 5.132 7.608 -0.724 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.476 7.099 -1.285 1.00 0.00 C ATOM 706 CG2 ILE A 48 5.079 9.151 -0.706 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.713 7.469 -2.748 1.00 0.00 C ATOM 0 H ILE A 48 3.400 8.428 0.828 1.00 0.00 H new ATOM 0 HA ILE A 48 4.719 5.904 0.466 1.00 0.00 H new ATOM 0 HB ILE A 48 4.323 7.296 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.288 7.504 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.514 6.014 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.278 9.534 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.091 9.477 -0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.831 9.533 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.677 7.077 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.922 7.041 -3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.708 8.554 -2.854 1.00 0.00 H new ATOM 719 N ASP A 49 5.995 8.113 2.525 1.00 0.00 N ATOM 720 CA ASP A 49 7.068 8.358 3.486 1.00 0.00 C ATOM 721 C ASP A 49 7.198 7.184 4.459 1.00 0.00 C ATOM 722 O ASP A 49 8.296 6.840 4.880 1.00 0.00 O ATOM 723 CB ASP A 49 6.825 9.660 4.257 1.00 0.00 C ATOM 724 CG ASP A 49 6.630 10.902 3.376 1.00 0.00 C ATOM 725 OD1 ASP A 49 7.101 10.950 2.209 1.00 0.00 O ATOM 726 OD2 ASP A 49 6.015 11.871 3.861 1.00 0.00 O ATOM 0 H ASP A 49 5.218 8.769 2.603 1.00 0.00 H new ATOM 0 HA ASP A 49 8.001 8.456 2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.943 9.535 4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.669 9.834 4.924 1.00 0.00 H new ATOM 731 N GLU A 50 6.074 6.564 4.831 1.00 0.00 N ATOM 732 CA GLU A 50 6.022 5.437 5.748 1.00 0.00 C ATOM 733 C GLU A 50 6.366 4.171 4.998 1.00 0.00 C ATOM 734 O GLU A 50 7.149 3.348 5.464 1.00 0.00 O ATOM 735 CB GLU A 50 4.590 5.292 6.285 1.00 0.00 C ATOM 736 CG GLU A 50 4.371 6.071 7.584 1.00 0.00 C ATOM 737 CD GLU A 50 4.940 5.384 8.828 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.287 4.184 8.748 1.00 0.00 O ATOM 739 OE2 GLU A 50 4.962 6.034 9.897 1.00 0.00 O ATOM 0 H GLU A 50 5.155 6.845 4.490 1.00 0.00 H new ATOM 0 HA GLU A 50 6.725 5.602 6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.885 5.643 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.374 4.237 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.827 7.056 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.302 6.227 7.725 1.00 0.00 H new ATOM 746 N CYS A 51 5.751 4.020 3.829 1.00 0.00 N ATOM 747 CA CYS A 51 5.948 2.855 3.007 1.00 0.00 C ATOM 748 C CYS A 51 7.382 2.701 2.537 1.00 0.00 C ATOM 749 O CYS A 51 7.945 1.612 2.629 1.00 0.00 O ATOM 750 CB CYS A 51 4.990 2.953 1.845 1.00 0.00 C ATOM 751 SG CYS A 51 5.187 1.732 0.545 1.00 0.00 S ATOM 0 H CYS A 51 5.106 4.705 3.435 1.00 0.00 H new ATOM 0 HA CYS A 51 5.747 1.960 3.596 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.974 2.879 2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.091 3.944 1.402 1.00 0.00 H new ATOM 756 N ASN A 52 7.974 3.776 2.023 1.00 0.00 N ATOM 757 CA ASN A 52 9.329 3.716 1.541 1.00 0.00 C ATOM 758 C ASN A 52 10.256 3.474 2.723 1.00 0.00 C ATOM 759 O ASN A 52 10.998 2.497 2.699 1.00 0.00 O ATOM 760 CB ASN A 52 9.690 4.896 0.621 1.00 0.00 C ATOM 761 CG ASN A 52 10.398 6.035 1.321 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.589 5.969 1.594 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.659 7.081 1.618 1.00 0.00 N ATOM 0 H ASN A 52 7.530 4.690 1.935 1.00 0.00 H new ATOM 0 HA ASN A 52 9.457 2.867 0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.324 4.531 -0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.777 5.277 0.163 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.075 7.881 2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.669 7.093 1.371 1.00 0.00 H new ATOM 770 N ARG A 53 10.129 4.232 3.816 1.00 0.00 N ATOM 771 CA ARG A 53 11.013 4.004 4.957 1.00 0.00 C ATOM 772 C ARG A 53 10.903 2.581 5.534 1.00 0.00 C ATOM 773 O ARG A 53 11.885 2.088 6.100 1.00 0.00 O ATOM 774 CB ARG A 53 10.863 5.122 6.005 1.00 0.00 C ATOM 775 CG ARG A 53 9.771 4.882 7.061 1.00 0.00 C ATOM 776 CD ARG A 53 9.549 6.097 7.971 1.00 0.00 C ATOM 777 NE ARG A 53 10.779 6.575 8.628 1.00 0.00 N ATOM 778 CZ ARG A 53 11.426 5.996 9.650 1.00 0.00 C ATOM 779 NH1 ARG A 53 11.049 4.810 10.117 1.00 0.00 N ATOM 780 NH2 ARG A 53 12.452 6.606 10.231 1.00 0.00 N ATOM 0 H ARG A 53 9.448 4.982 3.933 1.00 0.00 H new ATOM 0 HA ARG A 53 12.039 4.060 4.593 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.818 5.252 6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.648 6.057 5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.836 4.633 6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.045 4.021 7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.123 6.909 7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.816 5.839 8.735 1.00 0.00 H new ATOM 0 HE ARG A 53 11.181 7.440 8.266 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.256 4.325 9.697 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.553 4.385 10.895 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.754 7.523 9.901 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.938 6.158 11.008 1.00 0.00 H new ATOM 794 N THR A 54 9.757 1.899 5.389 1.00 0.00 N ATOM 795 CA THR A 54 9.557 0.551 5.910 1.00 0.00 C ATOM 796 C THR A 54 9.740 -0.601 4.905 1.00 0.00 C ATOM 797 O THR A 54 9.921 -1.725 5.377 1.00 0.00 O ATOM 798 CB THR A 54 8.234 0.486 6.689 1.00 0.00 C ATOM 799 OG1 THR A 54 8.268 -0.582 7.621 1.00 0.00 O ATOM 800 CG2 THR A 54 6.999 0.313 5.810 1.00 0.00 C ATOM 0 H THR A 54 8.943 2.275 4.903 1.00 0.00 H new ATOM 0 HA THR A 54 10.383 0.369 6.597 1.00 0.00 H new ATOM 0 HB THR A 54 8.146 1.451 7.188 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.782 -1.327 7.246 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.108 0.276 6.437 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.923 1.153 5.120 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.082 -0.615 5.244 1.00 0.00 H new ATOM 808 N CYS A 55 9.718 -0.379 3.583 1.00 0.00 N ATOM 809 CA CYS A 55 9.856 -1.436 2.578 1.00 0.00 C ATOM 810 C CYS A 55 10.727 -1.083 1.369 1.00 0.00 C ATOM 811 O CYS A 55 11.012 -1.964 0.563 1.00 0.00 O ATOM 812 CB CYS A 55 8.472 -1.846 2.053 1.00 0.00 C ATOM 813 SG CYS A 55 7.227 -2.323 3.261 1.00 0.00 S ATOM 0 H CYS A 55 9.602 0.551 3.180 1.00 0.00 H new ATOM 0 HA CYS A 55 10.360 -2.246 3.105 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.074 -1.014 1.472 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.608 -2.680 1.364 1.00 0.00 H new ATOM 818 N VAL A 56 11.088 0.174 1.151 1.00 0.00 N ATOM 819 CA VAL A 56 11.941 0.571 0.026 1.00 0.00 C ATOM 820 C VAL A 56 13.371 0.507 0.555 1.00 0.00 C ATOM 821 O VAL A 56 13.820 1.390 1.292 1.00 0.00 O ATOM 822 CB VAL A 56 11.520 1.941 -0.537 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.498 2.621 -1.497 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.173 1.798 -1.269 1.00 0.00 C ATOM 0 H VAL A 56 10.801 0.951 1.746 1.00 0.00 H new ATOM 0 HA VAL A 56 11.847 -0.092 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 56 11.475 2.583 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.085 3.576 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.448 2.790 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.659 1.982 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.872 2.766 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.277 1.084 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.415 1.442 -0.571 1.00 0.00 H new ATOM 834 N GLY A 57 14.057 -0.594 0.251 1.00 0.00 N ATOM 835 CA GLY A 57 15.432 -0.806 0.664 1.00 0.00 C ATOM 836 C GLY A 57 16.322 0.208 -0.020 1.00 0.00 C ATOM 837 O GLY A 57 16.211 0.320 -1.265 1.00 0.00 O ATOM 0 H GLY A 57 13.667 -1.364 -0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.517 -0.710 1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.749 -1.817 0.407 1.00 0.00 H new TER 841 GLY A 57