USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 440 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 9 THR OG1 : rot -69:sc= 1.06 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 0.91 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.902 K(o=0.9,f=-2!) USER MOD Single : A 11 GLN : amide:sc= 0.351 K(o=0.35,f=-3.2!) USER MOD Single : A 12 MET CE :methyl 171:sc= -0.0335 (180deg=-0.251) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -158:sc= -0.205 (180deg=-0.412) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.381 USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00494) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -150:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -5.745 -5.540 -14.395 1.00 0.00 N ATOM 14 CA LEU A 7 -5.301 -5.023 -13.097 1.00 0.00 C ATOM 15 C LEU A 7 -3.770 -5.036 -13.010 1.00 0.00 C ATOM 16 O LEU A 7 -3.125 -5.980 -13.467 1.00 0.00 O ATOM 17 CB LEU A 7 -5.995 -5.770 -11.934 1.00 0.00 C ATOM 18 CG LEU A 7 -5.531 -7.206 -11.610 1.00 0.00 C ATOM 19 CD1 LEU A 7 -6.286 -7.677 -10.359 1.00 0.00 C ATOM 20 CD2 LEU A 7 -5.773 -8.208 -12.745 1.00 0.00 C ATOM 0 HA LEU A 7 -5.606 -3.981 -13.002 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.873 -5.169 -11.033 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.063 -5.806 -12.151 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.452 -7.172 -11.456 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.976 -8.691 -10.107 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.060 -7.012 -9.526 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.358 -7.663 -10.554 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.421 -9.194 -12.441 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.839 -8.256 -12.967 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.231 -7.887 -13.635 1.00 0.00 H new ATOM 31 N LYS A 8 -3.183 -3.972 -12.458 1.00 0.00 N ATOM 32 CA LYS A 8 -1.739 -3.712 -12.540 1.00 0.00 C ATOM 33 C LYS A 8 -1.018 -3.830 -11.188 1.00 0.00 C ATOM 34 O LYS A 8 -1.558 -3.435 -10.154 1.00 0.00 O ATOM 35 CB LYS A 8 -1.488 -2.355 -13.221 1.00 0.00 C ATOM 36 CG LYS A 8 -2.023 -1.124 -12.468 1.00 0.00 C ATOM 37 CD LYS A 8 -1.587 0.149 -13.204 1.00 0.00 C ATOM 38 CE LYS A 8 -2.044 1.403 -12.455 1.00 0.00 C ATOM 39 NZ LYS A 8 -1.448 2.621 -13.045 1.00 0.00 N ATOM 0 H LYS A 8 -3.697 -3.261 -11.938 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.301 -4.497 -13.156 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.414 -2.233 -13.363 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.940 -2.377 -14.212 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.110 -1.167 -12.404 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.644 -1.115 -11.446 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.502 0.159 -13.308 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.004 0.151 -14.211 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.131 1.474 -12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.760 1.327 -11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.774 3.457 -12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.411 2.561 -12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.739 2.703 -14.040 1.00 0.00 H new ATOM 49 N THR A 9 0.212 -4.356 -11.210 1.00 0.00 N ATOM 50 CA THR A 9 1.115 -4.525 -10.055 1.00 0.00 C ATOM 51 C THR A 9 2.106 -3.365 -10.028 1.00 0.00 C ATOM 52 O THR A 9 2.581 -2.957 -11.086 1.00 0.00 O ATOM 53 CB THR A 9 1.855 -5.865 -10.160 1.00 0.00 C ATOM 54 OG1 THR A 9 0.907 -6.898 -10.319 1.00 0.00 O ATOM 55 CG2 THR A 9 2.696 -6.184 -8.922 1.00 0.00 C ATOM 0 H THR A 9 0.630 -4.694 -12.077 1.00 0.00 H new ATOM 0 HA THR A 9 0.538 -4.527 -9.130 1.00 0.00 H new ATOM 0 HB THR A 9 2.529 -5.790 -11.013 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.403 -7.011 -9.486 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.194 -7.144 -9.058 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.444 -5.404 -8.779 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.050 -6.232 -8.046 1.00 0.00 H new ATOM 63 N GLN A 10 2.463 -2.846 -8.852 1.00 0.00 N ATOM 64 CA GLN A 10 3.365 -1.703 -8.716 1.00 0.00 C ATOM 65 C GLN A 10 4.019 -1.704 -7.328 1.00 0.00 C ATOM 66 O GLN A 10 3.362 -2.010 -6.327 1.00 0.00 O ATOM 67 CB GLN A 10 2.577 -0.402 -8.983 1.00 0.00 C ATOM 68 CG GLN A 10 3.420 0.886 -9.085 1.00 0.00 C ATOM 69 CD GLN A 10 4.376 0.980 -10.282 1.00 0.00 C ATOM 70 OE1 GLN A 10 4.589 0.041 -11.046 1.00 0.00 O ATOM 71 NE2 GLN A 10 4.970 2.131 -10.500 1.00 0.00 N ATOM 0 H GLN A 10 2.131 -3.211 -7.960 1.00 0.00 H new ATOM 0 HA GLN A 10 4.169 -1.772 -9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.018 -0.522 -9.911 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.846 -0.273 -8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.741 1.738 -9.122 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.005 0.985 -8.171 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.802 2.918 -9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.599 2.238 -11.296 1.00 0.00 H new ATOM 78 N GLN A 11 5.306 -1.348 -7.283 1.00 0.00 N ATOM 79 CA GLN A 11 6.066 -1.052 -6.067 1.00 0.00 C ATOM 80 C GLN A 11 5.888 0.423 -5.665 1.00 0.00 C ATOM 81 O GLN A 11 5.812 1.300 -6.527 1.00 0.00 O ATOM 82 CB GLN A 11 7.551 -1.372 -6.328 1.00 0.00 C ATOM 83 CG GLN A 11 8.376 -1.445 -5.033 1.00 0.00 C ATOM 84 CD GLN A 11 9.845 -1.772 -5.284 1.00 0.00 C ATOM 85 OE1 GLN A 11 10.720 -0.918 -5.160 1.00 0.00 O ATOM 86 NE2 GLN A 11 10.155 -2.998 -5.651 1.00 0.00 N ATOM 0 H GLN A 11 5.869 -1.255 -8.128 1.00 0.00 H new ATOM 0 HA GLN A 11 5.699 -1.664 -5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.627 -2.322 -6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.974 -0.609 -6.981 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.305 -0.492 -4.509 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.947 -2.202 -4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.423 -3.701 -5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.127 -3.245 -5.835 1.00 0.00 H new ATOM 93 N MET A 12 5.881 0.728 -4.362 1.00 0.00 N ATOM 94 CA MET A 12 5.789 2.102 -3.851 1.00 0.00 C ATOM 95 C MET A 12 6.552 2.291 -2.538 1.00 0.00 C ATOM 96 O MET A 12 6.904 1.328 -1.852 1.00 0.00 O ATOM 97 CB MET A 12 4.318 2.542 -3.732 1.00 0.00 C ATOM 98 CG MET A 12 3.526 1.749 -2.685 1.00 0.00 C ATOM 99 SD MET A 12 1.853 2.359 -2.346 1.00 0.00 S ATOM 100 CE MET A 12 1.135 2.330 -4.007 1.00 0.00 C ATOM 0 H MET A 12 5.939 0.024 -3.627 1.00 0.00 H new ATOM 0 HA MET A 12 6.276 2.753 -4.577 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.283 3.601 -3.477 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.834 2.432 -4.702 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.456 0.713 -3.016 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.090 1.748 -1.752 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.064 2.524 -3.944 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.607 3.097 -4.621 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.300 1.351 -4.458 1.00 0.00 H new ATOM 108 N GLN A 13 6.796 3.552 -2.191 1.00 0.00 N ATOM 109 CA GLN A 13 7.423 3.963 -0.940 1.00 0.00 C ATOM 110 C GLN A 13 6.365 4.373 0.093 1.00 0.00 C ATOM 111 O GLN A 13 5.241 4.723 -0.270 1.00 0.00 O ATOM 112 CB GLN A 13 8.371 5.136 -1.218 1.00 0.00 C ATOM 113 CG GLN A 13 9.636 4.711 -1.973 1.00 0.00 C ATOM 114 CD GLN A 13 10.417 5.946 -2.394 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.257 6.461 -1.666 1.00 0.00 O ATOM 116 NE2 GLN A 13 10.113 6.508 -3.543 1.00 0.00 N ATOM 0 H GLN A 13 6.555 4.340 -2.792 1.00 0.00 H new ATOM 0 HA GLN A 13 7.984 3.123 -0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.844 5.893 -1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.656 5.599 -0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.254 4.076 -1.339 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.368 4.121 -2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.414 6.081 -4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.576 7.371 -3.827 1.00 0.00 H new ATOM 123 N VAL A 14 6.747 4.356 1.371 1.00 0.00 N ATOM 124 CA VAL A 14 5.861 4.537 2.530 1.00 0.00 C ATOM 125 C VAL A 14 6.642 5.035 3.754 1.00 0.00 C ATOM 126 O VAL A 14 7.759 4.593 4.020 1.00 0.00 O ATOM 127 CB VAL A 14 5.057 3.247 2.835 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.937 2.000 3.020 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.135 3.405 4.055 1.00 0.00 C ATOM 0 H VAL A 14 7.720 4.210 1.641 1.00 0.00 H new ATOM 0 HA VAL A 14 5.135 5.310 2.278 1.00 0.00 H new ATOM 0 HB VAL A 14 4.447 3.093 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.305 1.137 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.507 1.819 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.623 2.159 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.595 2.474 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.733 3.644 4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.423 4.209 3.871 1.00 0.00 H new ATOM 139 N GLY A 15 6.044 5.969 4.500 1.00 0.00 N ATOM 140 CA GLY A 15 6.682 6.721 5.589 1.00 0.00 C ATOM 141 C GLY A 15 6.604 6.088 6.982 1.00 0.00 C ATOM 142 O GLY A 15 6.489 6.836 7.954 1.00 0.00 O ATOM 0 H GLY A 15 5.069 6.233 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.732 6.866 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.226 7.710 5.636 1.00 0.00 H new ATOM 146 N GLY A 16 6.645 4.752 7.115 1.00 0.00 N ATOM 147 CA GLY A 16 6.641 4.100 8.442 1.00 0.00 C ATOM 148 C GLY A 16 6.448 2.581 8.527 1.00 0.00 C ATOM 149 O GLY A 16 6.137 2.091 9.613 1.00 0.00 O ATOM 0 H GLY A 16 6.681 4.104 6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.587 4.339 8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.853 4.565 9.034 1.00 0.00 H new ATOM 153 N MET A 17 6.600 1.823 7.433 1.00 0.00 N ATOM 154 CA MET A 17 6.426 0.354 7.419 1.00 0.00 C ATOM 155 C MET A 17 7.694 -0.474 7.712 1.00 0.00 C ATOM 156 O MET A 17 7.606 -1.700 7.717 1.00 0.00 O ATOM 157 CB MET A 17 5.788 -0.077 6.091 1.00 0.00 C ATOM 158 CG MET A 17 4.337 0.400 5.943 1.00 0.00 C ATOM 159 SD MET A 17 3.145 -0.405 7.046 1.00 0.00 S ATOM 160 CE MET A 17 2.955 0.857 8.331 1.00 0.00 C ATOM 0 H MET A 17 6.849 2.210 6.523 1.00 0.00 H new ATOM 0 HA MET A 17 5.766 0.133 8.258 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.380 0.316 5.265 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.817 -1.164 6.016 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.305 1.475 6.121 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.021 0.238 4.912 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.588 0.392 9.246 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.919 1.327 8.524 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.243 1.612 7.997 1.00 0.00 H new ATOM 219 N CYS A 22 4.194 -3.334 12.332 1.00 0.00 N ATOM 220 CA CYS A 22 3.398 -2.292 11.671 1.00 0.00 C ATOM 221 C CYS A 22 2.975 -2.671 10.248 1.00 0.00 C ATOM 222 O CYS A 22 1.849 -2.366 9.853 1.00 0.00 O ATOM 223 CB CYS A 22 4.192 -0.974 11.695 1.00 0.00 C ATOM 224 SG CYS A 22 4.570 -0.499 13.409 1.00 0.00 S ATOM 0 HA CYS A 22 2.466 -2.172 12.223 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.117 -1.088 11.129 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.617 -0.186 11.210 1.00 0.00 H new ATOM 0 HG CYS A 22 5.242 0.614 13.413 1.00 0.00 H new ATOM 229 N ALA A 23 3.827 -3.401 9.522 1.00 0.00 N ATOM 230 CA ALA A 23 3.518 -3.992 8.221 1.00 0.00 C ATOM 231 C ALA A 23 2.173 -4.742 8.216 1.00 0.00 C ATOM 232 O ALA A 23 1.405 -4.631 7.260 1.00 0.00 O ATOM 233 CB ALA A 23 4.674 -4.928 7.861 1.00 0.00 C ATOM 0 H ALA A 23 4.777 -3.601 9.834 1.00 0.00 H new ATOM 0 HA ALA A 23 3.412 -3.201 7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.480 -5.390 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.602 -4.358 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.765 -5.703 8.622 1.00 0.00 H new ATOM 239 N SER A 24 1.845 -5.442 9.309 1.00 0.00 N ATOM 240 CA SER A 24 0.616 -6.250 9.400 1.00 0.00 C ATOM 241 C SER A 24 -0.653 -5.386 9.326 1.00 0.00 C ATOM 242 O SER A 24 -1.650 -5.788 8.737 1.00 0.00 O ATOM 243 CB SER A 24 0.571 -7.026 10.724 1.00 0.00 C ATOM 244 OG SER A 24 1.775 -7.716 11.023 1.00 0.00 O ATOM 0 H SER A 24 2.418 -5.466 10.152 1.00 0.00 H new ATOM 0 HA SER A 24 0.640 -6.933 8.551 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.350 -6.331 11.534 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.249 -7.743 10.687 1.00 0.00 H new ATOM 0 HG SER A 24 1.679 -8.186 11.877 1.00 0.00 H new ATOM 249 N SER A 25 -0.622 -4.175 9.885 1.00 0.00 N ATOM 250 CA SER A 25 -1.801 -3.305 10.016 1.00 0.00 C ATOM 251 C SER A 25 -2.202 -2.668 8.680 1.00 0.00 C ATOM 252 O SER A 25 -3.361 -2.279 8.492 1.00 0.00 O ATOM 253 CB SER A 25 -1.553 -2.215 11.073 1.00 0.00 C ATOM 254 OG SER A 25 -1.004 -2.780 12.255 1.00 0.00 O ATOM 0 H SER A 25 0.230 -3.763 10.265 1.00 0.00 H new ATOM 0 HA SER A 25 -2.630 -3.935 10.339 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.874 -1.462 10.674 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.489 -1.708 11.307 1.00 0.00 H new ATOM 0 HG SER A 25 -0.851 -2.072 12.915 1.00 0.00 H new ATOM 259 N ILE A 26 -1.256 -2.616 7.736 1.00 0.00 N ATOM 260 CA ILE A 26 -1.519 -2.429 6.306 1.00 0.00 C ATOM 261 C ILE A 26 -1.915 -3.773 5.685 1.00 0.00 C ATOM 262 O ILE A 26 -3.022 -3.885 5.158 1.00 0.00 O ATOM 263 CB ILE A 26 -0.297 -1.758 5.615 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.324 -0.214 5.701 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.190 -2.080 4.112 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.489 0.375 7.101 1.00 0.00 C ATOM 0 H ILE A 26 -0.263 -2.705 7.951 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.357 -1.749 6.156 1.00 0.00 H new ATOM 0 HB ILE A 26 0.549 -2.171 6.164 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.602 0.170 5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.139 0.151 5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.684 -1.580 3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.091 -3.157 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.087 -1.731 3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.494 1.463 7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.429 0.031 7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.339 0.051 7.732 1.00 0.00 H new ATOM 277 N GLU A 27 -1.034 -4.777 5.730 1.00 0.00 N ATOM 278 CA GLU A 27 -1.095 -5.924 4.819 1.00 0.00 C ATOM 279 C GLU A 27 -2.297 -6.845 5.093 1.00 0.00 C ATOM 280 O GLU A 27 -2.840 -7.433 4.151 1.00 0.00 O ATOM 281 CB GLU A 27 0.239 -6.700 4.852 1.00 0.00 C ATOM 282 CG GLU A 27 0.466 -7.483 3.550 1.00 0.00 C ATOM 283 CD GLU A 27 1.722 -8.353 3.593 1.00 0.00 C ATOM 284 OE1 GLU A 27 2.858 -7.820 3.615 1.00 0.00 O ATOM 285 OE2 GLU A 27 1.589 -9.596 3.530 1.00 0.00 O ATOM 0 H GLU A 27 -0.262 -4.818 6.395 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.248 -5.533 3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.063 -6.003 5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.240 -7.389 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.401 -8.114 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.543 -6.782 2.719 1.00 0.00 H new ATOM 290 N ARG A 28 -2.761 -6.946 6.349 1.00 0.00 N ATOM 291 CA ARG A 28 -3.929 -7.767 6.696 1.00 0.00 C ATOM 292 C ARG A 28 -5.205 -7.258 6.009 1.00 0.00 C ATOM 293 O ARG A 28 -5.944 -8.051 5.421 1.00 0.00 O ATOM 294 CB ARG A 28 -4.094 -7.839 8.224 1.00 0.00 C ATOM 295 CG ARG A 28 -5.153 -8.884 8.606 1.00 0.00 C ATOM 296 CD ARG A 28 -5.395 -8.929 10.114 1.00 0.00 C ATOM 297 NE ARG A 28 -6.422 -9.931 10.441 1.00 0.00 N ATOM 298 CZ ARG A 28 -7.216 -9.936 11.502 1.00 0.00 C ATOM 299 NH1 ARG A 28 -7.150 -8.994 12.420 1.00 0.00 N ATOM 300 NH2 ARG A 28 -8.096 -10.902 11.653 1.00 0.00 N ATOM 0 H ARG A 28 -2.341 -6.465 7.145 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.758 -8.777 6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.140 -8.094 8.686 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.384 -6.862 8.610 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.088 -8.655 8.095 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.833 -9.867 8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.466 -9.170 10.630 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.711 -7.947 10.467 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.534 -10.702 9.783 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.475 -8.235 12.324 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.774 -9.023 13.226 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.165 -11.643 10.955 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.709 -10.910 12.468 1.00 0.00 H new ATOM 311 N ALA A 29 -5.455 -5.944 6.032 1.00 0.00 N ATOM 312 CA ALA A 29 -6.597 -5.332 5.348 1.00 0.00 C ATOM 313 C ALA A 29 -6.365 -5.102 3.849 1.00 0.00 C ATOM 314 O ALA A 29 -7.332 -5.152 3.091 1.00 0.00 O ATOM 315 CB ALA A 29 -6.922 -3.993 6.009 1.00 0.00 C ATOM 0 H ALA A 29 -4.868 -5.273 6.528 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.426 -6.034 5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.771 -3.534 5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.169 -4.156 7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.058 -3.333 5.938 1.00 0.00 H new ATOM 321 N LEU A 30 -5.129 -4.821 3.417 1.00 0.00 N ATOM 322 CA LEU A 30 -4.833 -4.381 2.049 1.00 0.00 C ATOM 323 C LEU A 30 -5.212 -5.426 0.994 1.00 0.00 C ATOM 324 O LEU A 30 -5.781 -5.058 -0.027 1.00 0.00 O ATOM 325 CB LEU A 30 -3.350 -3.968 1.965 1.00 0.00 C ATOM 326 CG LEU A 30 -2.890 -3.468 0.580 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.732 -2.290 0.072 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.415 -3.048 0.661 1.00 0.00 C ATOM 0 H LEU A 30 -4.302 -4.893 4.010 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.455 -3.516 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.165 -3.183 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.734 -4.821 2.250 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.020 -4.287 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.367 -1.977 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.775 -2.597 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.654 -1.458 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.084 -2.693 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.304 -2.249 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.809 -3.903 0.961 1.00 0.00 H new ATOM 339 N GLU A 31 -4.996 -6.717 1.260 1.00 0.00 N ATOM 340 CA GLU A 31 -5.407 -7.788 0.344 1.00 0.00 C ATOM 341 C GLU A 31 -6.935 -7.961 0.266 1.00 0.00 C ATOM 342 O GLU A 31 -7.418 -8.682 -0.613 1.00 0.00 O ATOM 343 CB GLU A 31 -4.737 -9.115 0.739 1.00 0.00 C ATOM 344 CG GLU A 31 -5.332 -9.752 2.004 1.00 0.00 C ATOM 345 CD GLU A 31 -4.596 -11.012 2.445 1.00 0.00 C ATOM 346 OE1 GLU A 31 -4.225 -11.852 1.593 1.00 0.00 O ATOM 347 OE2 GLU A 31 -4.417 -11.190 3.671 1.00 0.00 O ATOM 0 H GLU A 31 -4.536 -7.049 2.108 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.075 -7.494 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.827 -9.818 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.672 -8.942 0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.310 -9.024 2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.379 -9.995 1.823 1.00 0.00 H new ATOM 352 N ARG A 32 -7.673 -7.341 1.203 1.00 0.00 N ATOM 353 CA ARG A 32 -9.122 -7.458 1.381 1.00 0.00 C ATOM 354 C ARG A 32 -9.910 -6.204 0.942 1.00 0.00 C ATOM 355 O ARG A 32 -11.139 -6.281 0.858 1.00 0.00 O ATOM 356 CB ARG A 32 -9.456 -7.802 2.848 1.00 0.00 C ATOM 357 CG ARG A 32 -8.934 -9.185 3.271 1.00 0.00 C ATOM 358 CD ARG A 32 -9.349 -9.553 4.701 1.00 0.00 C ATOM 359 NE ARG A 32 -8.986 -10.947 5.010 1.00 0.00 N ATOM 360 CZ ARG A 32 -9.772 -12.016 4.947 1.00 0.00 C ATOM 361 NH1 ARG A 32 -11.022 -11.946 4.548 1.00 0.00 N ATOM 362 NH2 ARG A 32 -9.308 -13.195 5.282 1.00 0.00 N ATOM 0 H ARG A 32 -7.250 -6.715 1.888 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.440 -8.266 0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.027 -7.042 3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.537 -7.769 2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.311 -9.940 2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.847 -9.199 3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.864 -8.881 5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.424 -9.418 4.818 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.023 -11.109 5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.420 -11.048 4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.594 -12.790 4.513 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.341 -13.293 5.592 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.914 -14.014 5.233 1.00 0.00 H new ATOM 373 N LEU A 33 -9.255 -5.057 0.692 1.00 0.00 N ATOM 374 CA LEU A 33 -9.885 -3.865 0.091 1.00 0.00 C ATOM 375 C LEU A 33 -10.428 -4.197 -1.308 1.00 0.00 C ATOM 376 O LEU A 33 -9.672 -4.499 -2.229 1.00 0.00 O ATOM 377 CB LEU A 33 -8.880 -2.691 0.002 1.00 0.00 C ATOM 378 CG LEU A 33 -8.255 -2.190 1.319 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.257 -1.056 1.036 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.294 -1.678 2.321 1.00 0.00 C ATOM 0 H LEU A 33 -8.265 -4.929 0.903 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.712 -3.562 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.070 -2.991 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.386 -1.850 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.754 -3.051 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.823 -0.711 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.465 -1.423 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.774 -0.229 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.790 -1.340 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.845 -0.847 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.987 -2.482 2.570 1.00 0.00 H new ATOM 391 N LYS A 34 -11.744 -4.128 -1.496 1.00 0.00 N ATOM 392 CA LYS A 34 -12.381 -4.519 -2.758 1.00 0.00 C ATOM 393 C LYS A 34 -11.971 -3.574 -3.907 1.00 0.00 C ATOM 394 O LYS A 34 -12.171 -2.358 -3.835 1.00 0.00 O ATOM 395 CB LYS A 34 -13.901 -4.610 -2.536 1.00 0.00 C ATOM 396 CG LYS A 34 -14.333 -5.703 -1.534 1.00 0.00 C ATOM 397 CD LYS A 34 -13.823 -7.108 -1.896 1.00 0.00 C ATOM 398 CE LYS A 34 -14.487 -8.188 -1.033 1.00 0.00 C ATOM 399 NZ LYS A 34 -14.102 -9.551 -1.471 1.00 0.00 N ATOM 0 H LYS A 34 -12.398 -3.802 -0.785 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.035 -5.504 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.263 -3.645 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.386 -4.800 -3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.969 -5.438 -0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.421 -5.724 -1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.023 -7.308 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.742 -7.149 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.203 -8.047 0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.570 -8.081 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.569 -10.255 -0.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.396 -9.694 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.070 -9.661 -1.397 1.00 0.00 H new ATOM 409 N GLY A 35 -11.341 -4.140 -4.943 1.00 0.00 N ATOM 410 CA GLY A 35 -10.613 -3.429 -6.007 1.00 0.00 C ATOM 411 C GLY A 35 -9.084 -3.543 -5.906 1.00 0.00 C ATOM 412 O GLY A 35 -8.408 -3.312 -6.906 1.00 0.00 O ATOM 0 H GLY A 35 -11.322 -5.152 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.932 -3.819 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.890 -2.375 -5.980 1.00 0.00 H new ATOM 416 N VAL A 36 -8.543 -3.939 -4.747 1.00 0.00 N ATOM 417 CA VAL A 36 -7.147 -4.372 -4.561 1.00 0.00 C ATOM 418 C VAL A 36 -7.144 -5.898 -4.439 1.00 0.00 C ATOM 419 O VAL A 36 -7.973 -6.472 -3.732 1.00 0.00 O ATOM 420 CB VAL A 36 -6.498 -3.742 -3.306 1.00 0.00 C ATOM 421 CG1 VAL A 36 -5.027 -4.170 -3.177 1.00 0.00 C ATOM 422 CG2 VAL A 36 -6.562 -2.204 -3.343 1.00 0.00 C ATOM 0 H VAL A 36 -9.082 -3.969 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.558 -4.041 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.065 -4.100 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.592 -3.714 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.970 -5.255 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.475 -3.844 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.096 -1.799 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.032 -1.839 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.603 -1.884 -3.388 1.00 0.00 H new ATOM 432 N ALA A 37 -6.232 -6.559 -5.155 1.00 0.00 N ATOM 433 CA ALA A 37 -6.265 -8.005 -5.362 1.00 0.00 C ATOM 434 C ALA A 37 -5.111 -8.775 -4.696 1.00 0.00 C ATOM 435 O ALA A 37 -5.323 -9.916 -4.277 1.00 0.00 O ATOM 436 CB ALA A 37 -6.284 -8.234 -6.875 1.00 0.00 C ATOM 0 H ALA A 37 -5.443 -6.100 -5.611 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.156 -8.403 -4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.309 -9.304 -7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.168 -7.761 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.389 -7.800 -7.320 1.00 0.00 H new ATOM 442 N GLU A 38 -3.911 -8.192 -4.583 1.00 0.00 N ATOM 443 CA GLU A 38 -2.729 -8.868 -4.025 1.00 0.00 C ATOM 444 C GLU A 38 -1.651 -7.865 -3.590 1.00 0.00 C ATOM 445 O GLU A 38 -1.335 -6.958 -4.355 1.00 0.00 O ATOM 446 CB GLU A 38 -2.150 -9.866 -5.048 1.00 0.00 C ATOM 447 CG GLU A 38 -1.183 -10.870 -4.411 1.00 0.00 C ATOM 448 CD GLU A 38 -0.497 -11.727 -5.468 1.00 0.00 C ATOM 449 OE1 GLU A 38 0.537 -11.291 -6.027 1.00 0.00 O ATOM 450 OE2 GLU A 38 -0.966 -12.849 -5.766 1.00 0.00 O ATOM 0 H GLU A 38 -3.730 -7.232 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.050 -9.412 -3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.967 -10.407 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.631 -9.316 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.432 -10.336 -3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.726 -11.511 -3.717 1.00 0.00 H new ATOM 455 N ALA A 39 -1.036 -8.024 -2.412 1.00 0.00 N ATOM 456 CA ALA A 39 -0.076 -7.052 -1.872 1.00 0.00 C ATOM 457 C ALA A 39 0.931 -7.633 -0.863 1.00 0.00 C ATOM 458 O ALA A 39 0.732 -8.700 -0.278 1.00 0.00 O ATOM 459 CB ALA A 39 -0.868 -5.895 -1.249 1.00 0.00 C ATOM 0 H ALA A 39 -1.189 -8.830 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 39 0.541 -6.711 -2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.176 -5.159 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.488 -5.426 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.504 -6.278 -0.451 1.00 0.00 H new ATOM 465 N SER A 40 2.014 -6.896 -0.614 1.00 0.00 N ATOM 466 CA SER A 40 3.082 -7.302 0.308 1.00 0.00 C ATOM 467 C SER A 40 3.958 -6.120 0.760 1.00 0.00 C ATOM 468 O SER A 40 4.327 -5.276 -0.059 1.00 0.00 O ATOM 469 CB SER A 40 3.949 -8.379 -0.355 1.00 0.00 C ATOM 470 OG SER A 40 5.050 -8.727 0.467 1.00 0.00 O ATOM 0 H SER A 40 2.179 -5.989 -1.051 1.00 0.00 H new ATOM 0 HA SER A 40 2.606 -7.702 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.345 -9.265 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.310 -8.017 -1.318 1.00 0.00 H new ATOM 0 HG SER A 40 5.586 -9.417 0.022 1.00 0.00 H new ATOM 475 N VAL A 41 4.336 -6.078 2.043 1.00 0.00 N ATOM 476 CA VAL A 41 5.311 -5.123 2.608 1.00 0.00 C ATOM 477 C VAL A 41 6.714 -5.753 2.681 1.00 0.00 C ATOM 478 O VAL A 41 6.882 -6.837 3.247 1.00 0.00 O ATOM 479 CB VAL A 41 4.879 -4.664 4.022 1.00 0.00 C ATOM 480 CG1 VAL A 41 5.890 -3.687 4.648 1.00 0.00 C ATOM 481 CG2 VAL A 41 3.500 -3.979 4.009 1.00 0.00 C ATOM 0 H VAL A 41 3.965 -6.723 2.740 1.00 0.00 H new ATOM 0 HA VAL A 41 5.343 -4.256 1.948 1.00 0.00 H new ATOM 0 HB VAL A 41 4.832 -5.574 4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.545 -3.392 5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.862 -4.173 4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.980 -2.803 4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.236 -3.673 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.535 -3.102 3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.751 -4.676 3.634 1.00 0.00 H new ATOM 491 N THR A 42 7.726 -5.034 2.170 1.00 0.00 N ATOM 492 CA THR A 42 9.156 -5.333 2.351 1.00 0.00 C ATOM 493 C THR A 42 9.644 -4.586 3.588 1.00 0.00 C ATOM 494 O THR A 42 9.874 -3.381 3.539 1.00 0.00 O ATOM 495 CB THR A 42 9.969 -4.914 1.116 1.00 0.00 C ATOM 496 OG1 THR A 42 9.474 -5.575 -0.021 1.00 0.00 O ATOM 497 CG2 THR A 42 11.437 -5.316 1.244 1.00 0.00 C ATOM 0 H THR A 42 7.567 -4.202 1.601 1.00 0.00 H new ATOM 0 HA THR A 42 9.292 -6.407 2.480 1.00 0.00 H new ATOM 0 HB THR A 42 9.883 -3.831 1.032 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.992 -5.305 -0.808 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.979 -5.003 0.352 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.871 -4.834 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.510 -6.398 1.352 1.00 0.00 H new ATOM 505 N VAL A 43 9.794 -5.290 4.705 1.00 0.00 N ATOM 506 CA VAL A 43 10.039 -4.692 6.031 1.00 0.00 C ATOM 507 C VAL A 43 11.487 -4.202 6.196 1.00 0.00 C ATOM 508 O VAL A 43 11.712 -3.168 6.821 1.00 0.00 O ATOM 509 CB VAL A 43 9.687 -5.697 7.151 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.997 -5.145 8.552 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.199 -6.077 7.089 1.00 0.00 C ATOM 0 H VAL A 43 9.750 -6.309 4.725 1.00 0.00 H new ATOM 0 HA VAL A 43 9.390 -3.820 6.110 1.00 0.00 H new ATOM 0 HB VAL A 43 10.309 -6.576 6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.732 -5.889 9.303 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.060 -4.917 8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.419 -4.237 8.721 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.971 -6.785 7.885 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.589 -5.182 7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.980 -6.534 6.124 1.00 0.00 H new ATOM 521 N ALA A 44 12.479 -4.909 5.635 1.00 0.00 N ATOM 522 CA ALA A 44 13.902 -4.572 5.805 1.00 0.00 C ATOM 523 C ALA A 44 14.324 -3.253 5.124 1.00 0.00 C ATOM 524 O ALA A 44 15.422 -2.756 5.399 1.00 0.00 O ATOM 525 CB ALA A 44 14.743 -5.748 5.302 1.00 0.00 C ATOM 0 H ALA A 44 12.319 -5.730 5.051 1.00 0.00 H new ATOM 0 HA ALA A 44 14.075 -4.401 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.801 -5.515 5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.501 -6.641 5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.526 -5.926 4.249 1.00 0.00 H new ATOM 531 N THR A 45 13.470 -2.697 4.256 1.00 0.00 N ATOM 532 CA THR A 45 13.616 -1.381 3.611 1.00 0.00 C ATOM 533 C THR A 45 12.448 -0.444 3.913 1.00 0.00 C ATOM 534 O THR A 45 12.611 0.772 3.796 1.00 0.00 O ATOM 535 CB THR A 45 13.715 -1.546 2.092 1.00 0.00 C ATOM 536 OG1 THR A 45 12.583 -2.258 1.654 1.00 0.00 O ATOM 537 CG2 THR A 45 14.981 -2.303 1.698 1.00 0.00 C ATOM 0 H THR A 45 12.615 -3.174 3.969 1.00 0.00 H new ATOM 0 HA THR A 45 14.526 -0.939 4.017 1.00 0.00 H new ATOM 0 HB THR A 45 13.759 -0.561 1.626 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.625 -2.374 0.682 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.022 -2.404 0.613 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.856 -1.754 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.970 -3.293 2.154 1.00 0.00 H new ATOM 545 N GLY A 46 11.284 -0.988 4.283 1.00 0.00 N ATOM 546 CA GLY A 46 10.029 -0.262 4.463 1.00 0.00 C ATOM 547 C GLY A 46 9.449 0.209 3.131 1.00 0.00 C ATOM 548 O GLY A 46 9.117 1.387 3.014 1.00 0.00 O ATOM 0 H GLY A 46 11.190 -1.986 4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.307 -0.904 4.967 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.197 0.598 5.111 1.00 0.00 H new ATOM 552 N ARG A 47 9.340 -0.682 2.136 1.00 0.00 N ATOM 553 CA ARG A 47 8.614 -0.441 0.874 1.00 0.00 C ATOM 554 C ARG A 47 7.371 -1.339 0.758 1.00 0.00 C ATOM 555 O ARG A 47 7.208 -2.304 1.502 1.00 0.00 O ATOM 556 CB ARG A 47 9.518 -0.640 -0.359 1.00 0.00 C ATOM 557 CG ARG A 47 10.669 0.367 -0.459 1.00 0.00 C ATOM 558 CD ARG A 47 11.261 0.365 -1.879 1.00 0.00 C ATOM 559 NE ARG A 47 12.126 1.534 -2.089 1.00 0.00 N ATOM 560 CZ ARG A 47 12.389 2.153 -3.232 1.00 0.00 C ATOM 561 NH1 ARG A 47 11.905 1.741 -4.389 1.00 0.00 N ATOM 562 NH2 ARG A 47 13.157 3.220 -3.205 1.00 0.00 N ATOM 0 H ARG A 47 9.761 -1.610 2.183 1.00 0.00 H new ATOM 0 HA ARG A 47 8.293 0.600 0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.932 -1.648 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.908 -0.569 -1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.310 1.365 -0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.444 0.116 0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.834 -0.549 -2.037 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.455 0.367 -2.613 1.00 0.00 H new ATOM 0 HE ARG A 47 12.578 1.914 -1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.304 0.918 -4.426 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.132 2.246 -5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.535 3.554 -2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.374 3.714 -4.071 1.00 0.00 H new ATOM 573 N LEU A 48 6.491 -1.023 -0.194 1.00 0.00 N ATOM 574 CA LEU A 48 5.246 -1.741 -0.487 1.00 0.00 C ATOM 575 C LEU A 48 5.217 -2.252 -1.934 1.00 0.00 C ATOM 576 O LEU A 48 5.939 -1.739 -2.792 1.00 0.00 O ATOM 577 CB LEU A 48 4.067 -0.776 -0.236 1.00 0.00 C ATOM 578 CG LEU A 48 3.257 -1.092 1.032 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.344 0.102 1.322 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.398 -2.354 0.849 1.00 0.00 C ATOM 0 H LEU A 48 6.632 -0.223 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 48 5.172 -2.614 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.453 0.241 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.399 -0.803 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 48 3.945 -1.272 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.757 -0.098 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.950 0.995 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.673 0.261 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.838 -2.549 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.703 -2.204 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.043 -3.205 0.630 1.00 0.00 H new ATOM 591 N THR A 49 4.343 -3.227 -2.199 1.00 0.00 N ATOM 592 CA THR A 49 3.964 -3.733 -3.530 1.00 0.00 C ATOM 593 C THR A 49 2.480 -4.032 -3.485 1.00 0.00 C ATOM 594 O THR A 49 2.010 -4.617 -2.511 1.00 0.00 O ATOM 595 CB THR A 49 4.738 -5.003 -3.906 1.00 0.00 C ATOM 596 OG1 THR A 49 6.113 -4.732 -3.818 1.00 0.00 O ATOM 597 CG2 THR A 49 4.462 -5.443 -5.345 1.00 0.00 C ATOM 0 H THR A 49 3.851 -3.715 -1.451 1.00 0.00 H new ATOM 0 HA THR A 49 4.203 -2.984 -4.285 1.00 0.00 H new ATOM 0 HB THR A 49 4.421 -5.793 -3.225 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.621 -5.536 -4.054 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.032 -6.346 -5.565 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.398 -5.647 -5.465 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.759 -4.650 -6.031 1.00 0.00 H new ATOM 605 N VAL A 50 1.755 -3.626 -4.524 1.00 0.00 N ATOM 606 CA VAL A 50 0.291 -3.754 -4.602 1.00 0.00 C ATOM 607 C VAL A 50 -0.168 -4.042 -6.037 1.00 0.00 C ATOM 608 O VAL A 50 0.376 -3.473 -6.981 1.00 0.00 O ATOM 609 CB VAL A 50 -0.401 -2.500 -4.006 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.058 -1.197 -4.751 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.926 -2.675 -3.949 1.00 0.00 C ATOM 0 H VAL A 50 2.167 -3.192 -5.350 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.011 -4.610 -3.999 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.007 -2.407 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.576 -0.362 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.018 -1.026 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.372 -1.279 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.380 -1.778 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.312 -2.837 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.171 -3.534 -3.324 1.00 0.00 H new ATOM 621 N THR A 51 -1.163 -4.925 -6.182 1.00 0.00 N ATOM 622 CA THR A 51 -1.883 -5.254 -7.419 1.00 0.00 C ATOM 623 C THR A 51 -3.326 -4.783 -7.277 1.00 0.00 C ATOM 624 O THR A 51 -4.028 -5.266 -6.391 1.00 0.00 O ATOM 625 CB THR A 51 -1.838 -6.764 -7.702 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.496 -7.160 -7.901 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.583 -7.114 -8.996 1.00 0.00 C ATOM 0 H THR A 51 -1.509 -5.464 -5.388 1.00 0.00 H new ATOM 0 HA THR A 51 -1.405 -4.751 -8.260 1.00 0.00 H new ATOM 0 HB THR A 51 -2.299 -7.267 -6.852 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.462 -8.123 -8.080 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.532 -8.189 -9.166 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.626 -6.810 -8.909 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.122 -6.592 -9.834 1.00 0.00 H new ATOM 635 N TYR A 52 -3.772 -3.874 -8.149 1.00 0.00 N ATOM 636 CA TYR A 52 -5.098 -3.233 -8.080 1.00 0.00 C ATOM 637 C TYR A 52 -5.736 -2.962 -9.457 1.00 0.00 C ATOM 638 O TYR A 52 -5.042 -2.811 -10.465 1.00 0.00 O ATOM 639 CB TYR A 52 -5.007 -1.936 -7.256 1.00 0.00 C ATOM 640 CG TYR A 52 -4.270 -0.772 -7.907 1.00 0.00 C ATOM 641 CD1 TYR A 52 -2.879 -0.624 -7.733 1.00 0.00 C ATOM 642 CD2 TYR A 52 -4.983 0.194 -8.647 1.00 0.00 C ATOM 643 CE1 TYR A 52 -2.204 0.494 -8.267 1.00 0.00 C ATOM 644 CE2 TYR A 52 -4.315 1.310 -9.190 1.00 0.00 C ATOM 645 CZ TYR A 52 -2.927 1.475 -8.985 1.00 0.00 C ATOM 646 OH TYR A 52 -2.303 2.579 -9.484 1.00 0.00 O ATOM 0 H TYR A 52 -3.214 -3.553 -8.940 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.761 -3.944 -7.587 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.020 -1.610 -7.019 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.516 -2.165 -6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.325 -1.373 -7.186 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.046 0.078 -8.798 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.138 0.600 -8.128 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.865 2.041 -9.764 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.957 3.142 -9.949 1.00 0.00 H new ATOM 655 N ASP A 53 -7.072 -2.895 -9.506 1.00 0.00 N ATOM 656 CA ASP A 53 -7.870 -2.650 -10.703 1.00 0.00 C ATOM 657 C ASP A 53 -8.037 -1.125 -10.896 1.00 0.00 C ATOM 658 O ASP A 53 -8.761 -0.495 -10.110 1.00 0.00 O ATOM 659 CB ASP A 53 -9.213 -3.383 -10.538 1.00 0.00 C ATOM 660 CG ASP A 53 -10.103 -3.323 -11.780 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.434 -2.207 -12.248 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.489 -4.399 -12.289 1.00 0.00 O ATOM 0 H ASP A 53 -7.647 -3.016 -8.673 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.385 -3.033 -11.601 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.019 -4.427 -10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.752 -2.951 -9.695 1.00 0.00 H new ATOM 666 N PRO A 54 -7.397 -0.520 -11.924 1.00 0.00 N ATOM 667 CA PRO A 54 -7.310 0.933 -12.108 1.00 0.00 C ATOM 668 C PRO A 54 -8.629 1.576 -12.575 1.00 0.00 C ATOM 669 O PRO A 54 -8.633 2.723 -13.024 1.00 0.00 O ATOM 670 CB PRO A 54 -6.167 1.134 -13.112 1.00 0.00 C ATOM 671 CG PRO A 54 -6.263 -0.111 -13.987 1.00 0.00 C ATOM 672 CD PRO A 54 -6.628 -1.187 -12.970 1.00 0.00 C ATOM 0 HA PRO A 54 -7.115 1.436 -11.161 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.295 2.047 -13.693 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.200 1.205 -12.615 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.023 -0.007 -14.762 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.321 -0.329 -14.491 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.213 -1.980 -13.436 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.732 -1.652 -12.558 1.00 0.00 H new ATOM 677 N LYS A 55 -9.748 0.852 -12.478 1.00 0.00 N ATOM 678 CA LYS A 55 -11.100 1.341 -12.800 1.00 0.00 C ATOM 679 C LYS A 55 -12.032 1.232 -11.586 1.00 0.00 C ATOM 680 O LYS A 55 -12.850 2.126 -11.367 1.00 0.00 O ATOM 681 CB LYS A 55 -11.657 0.553 -14.002 1.00 0.00 C ATOM 682 CG LYS A 55 -10.964 0.858 -15.339 1.00 0.00 C ATOM 683 CD LYS A 55 -11.408 2.211 -15.914 1.00 0.00 C ATOM 684 CE LYS A 55 -10.693 2.560 -17.223 1.00 0.00 C ATOM 685 NZ LYS A 55 -9.251 2.847 -17.035 1.00 0.00 N ATOM 0 H LYS A 55 -9.742 -0.119 -12.165 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.041 2.397 -13.066 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.566 -0.513 -13.795 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.721 0.769 -14.101 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.883 0.860 -15.196 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.189 0.067 -16.054 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.484 2.192 -16.086 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.216 2.994 -15.180 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.805 1.733 -17.924 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.175 3.427 -17.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.827 3.109 -17.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.138 3.632 -16.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.774 2.001 -16.663 1.00 0.00 H new ATOM 695 N GLN A 56 -11.847 0.205 -10.750 1.00 0.00 N ATOM 696 CA GLN A 56 -12.490 0.122 -9.436 1.00 0.00 C ATOM 697 C GLN A 56 -11.855 1.093 -8.431 1.00 0.00 C ATOM 698 O GLN A 56 -12.579 1.695 -7.635 1.00 0.00 O ATOM 699 CB GLN A 56 -12.397 -1.313 -8.895 1.00 0.00 C ATOM 700 CG GLN A 56 -13.202 -2.308 -9.746 1.00 0.00 C ATOM 701 CD GLN A 56 -13.156 -3.729 -9.198 1.00 0.00 C ATOM 702 OE1 GLN A 56 -12.621 -4.643 -9.814 1.00 0.00 O ATOM 703 NE2 GLN A 56 -13.705 -3.976 -8.034 1.00 0.00 N ATOM 0 H GLN A 56 -11.247 -0.591 -10.966 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.536 0.402 -9.562 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.352 -1.622 -8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.763 -1.337 -7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -14.239 -1.978 -9.798 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.814 -2.304 -10.765 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.153 -3.223 -7.512 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.684 -4.921 -7.650 1.00 0.00 H new ATOM 710 N VAL A 57 -10.524 1.256 -8.451 1.00 0.00 N ATOM 711 CA VAL A 57 -9.788 2.071 -7.462 1.00 0.00 C ATOM 712 C VAL A 57 -8.558 2.745 -8.080 1.00 0.00 C ATOM 713 O VAL A 57 -8.165 2.436 -9.203 1.00 0.00 O ATOM 714 CB VAL A 57 -9.367 1.257 -6.204 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.548 0.589 -5.478 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.319 0.175 -6.520 1.00 0.00 C ATOM 0 H VAL A 57 -9.922 0.827 -9.154 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.487 2.843 -7.141 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.931 2.006 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.179 0.040 -4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.253 1.353 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.050 -0.100 -6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.063 -0.361 -5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.727 -0.525 -7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.424 0.644 -6.929 1.00 0.00 H new ATOM 726 N SER A 58 -7.935 3.643 -7.319 1.00 0.00 N ATOM 727 CA SER A 58 -6.613 4.215 -7.601 1.00 0.00 C ATOM 728 C SER A 58 -5.775 4.212 -6.306 1.00 0.00 C ATOM 729 O SER A 58 -6.244 3.737 -5.266 1.00 0.00 O ATOM 730 CB SER A 58 -6.769 5.637 -8.172 1.00 0.00 C ATOM 731 OG SER A 58 -7.219 5.605 -9.516 1.00 0.00 O ATOM 0 H SER A 58 -8.347 4.007 -6.460 1.00 0.00 H new ATOM 0 HA SER A 58 -6.095 3.614 -8.348 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.476 6.200 -7.563 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.814 6.160 -8.118 1.00 0.00 H new ATOM 0 HG SER A 58 -7.311 6.521 -9.852 1.00 0.00 H new ATOM 736 N GLU A 59 -4.561 4.779 -6.327 1.00 0.00 N ATOM 737 CA GLU A 59 -3.688 4.882 -5.138 1.00 0.00 C ATOM 738 C GLU A 59 -4.360 5.516 -3.894 1.00 0.00 C ATOM 739 O GLU A 59 -3.985 5.214 -2.764 1.00 0.00 O ATOM 740 CB GLU A 59 -2.332 5.524 -5.497 1.00 0.00 C ATOM 741 CG GLU A 59 -2.341 6.782 -6.382 1.00 0.00 C ATOM 742 CD GLU A 59 -2.684 8.066 -5.636 1.00 0.00 C ATOM 743 OE1 GLU A 59 -1.748 8.723 -5.126 1.00 0.00 O ATOM 744 OE2 GLU A 59 -3.857 8.492 -5.663 1.00 0.00 O ATOM 0 H GLU A 59 -4.151 5.182 -7.169 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.491 3.858 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.824 5.774 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.727 4.768 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.361 6.894 -6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.060 6.640 -7.189 1.00 0.00 H new ATOM 749 N ILE A 60 -5.436 6.283 -4.089 1.00 0.00 N ATOM 750 CA ILE A 60 -6.413 6.730 -3.078 1.00 0.00 C ATOM 751 C ILE A 60 -6.817 5.636 -2.071 1.00 0.00 C ATOM 752 O ILE A 60 -6.866 5.915 -0.868 1.00 0.00 O ATOM 753 CB ILE A 60 -7.647 7.290 -3.837 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.281 8.656 -4.462 1.00 0.00 C ATOM 755 CG2 ILE A 60 -8.892 7.368 -2.932 1.00 0.00 C ATOM 756 CD1 ILE A 60 -8.365 9.297 -5.333 1.00 0.00 C ATOM 0 H ILE A 60 -5.668 6.635 -5.018 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.947 7.500 -2.464 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.914 6.604 -4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.030 9.348 -3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.382 8.530 -5.066 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.732 7.765 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.140 6.371 -2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.686 8.023 -2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.004 10.250 -5.720 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.603 8.634 -6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.261 9.464 -4.735 1.00 0.00 H new ATOM 767 N THR A 61 -7.122 4.417 -2.540 1.00 0.00 N ATOM 768 CA THR A 61 -7.658 3.324 -1.704 1.00 0.00 C ATOM 769 C THR A 61 -6.612 2.745 -0.757 1.00 0.00 C ATOM 770 O THR A 61 -6.876 2.566 0.427 1.00 0.00 O ATOM 771 CB THR A 61 -8.284 2.262 -2.614 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.564 2.732 -2.958 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.484 0.898 -1.949 1.00 0.00 C ATOM 0 H THR A 61 -7.004 4.156 -3.519 1.00 0.00 H new ATOM 0 HA THR A 61 -8.433 3.727 -1.052 1.00 0.00 H new ATOM 0 HB THR A 61 -7.606 2.116 -3.455 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.163 1.971 -3.107 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.932 0.207 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.520 0.508 -1.622 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.143 1.006 -1.087 1.00 0.00 H new ATOM 781 N ILE A 62 -5.400 2.490 -1.242 1.00 0.00 N ATOM 782 CA ILE A 62 -4.269 2.071 -0.393 1.00 0.00 C ATOM 783 C ILE A 62 -3.787 3.224 0.506 1.00 0.00 C ATOM 784 O ILE A 62 -3.388 2.991 1.652 1.00 0.00 O ATOM 785 CB ILE A 62 -3.173 1.426 -1.275 1.00 0.00 C ATOM 786 CG1 ILE A 62 -1.977 0.966 -0.423 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.719 2.367 -2.403 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.001 0.032 -1.145 1.00 0.00 C ATOM 0 H ILE A 62 -5.166 2.565 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.587 1.300 0.309 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.612 0.546 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.432 1.846 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.354 0.459 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.949 1.876 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.570 2.610 -3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.315 3.283 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.191 -0.241 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.527 -0.868 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.590 0.539 -2.018 1.00 0.00 H new ATOM 799 N GLN A 63 -3.920 4.471 0.047 1.00 0.00 N ATOM 800 CA GLN A 63 -3.685 5.647 0.873 1.00 0.00 C ATOM 801 C GLN A 63 -4.646 5.718 2.063 1.00 0.00 C ATOM 802 O GLN A 63 -4.179 6.002 3.158 1.00 0.00 O ATOM 803 CB GLN A 63 -3.762 6.914 0.012 1.00 0.00 C ATOM 804 CG GLN A 63 -3.162 8.126 0.730 1.00 0.00 C ATOM 805 CD GLN A 63 -3.106 9.325 -0.207 1.00 0.00 C ATOM 806 OE1 GLN A 63 -2.047 9.727 -0.684 1.00 0.00 O ATOM 807 NE2 GLN A 63 -4.238 9.897 -0.547 1.00 0.00 N ATOM 0 H GLN A 63 -4.195 4.689 -0.911 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.682 5.570 1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.233 6.749 -0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.802 7.119 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.761 8.370 1.607 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.160 7.887 1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.117 9.564 -0.151 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.238 10.675 -1.207 1.00 0.00 H new ATOM 814 N GLU A 64 -5.938 5.400 1.902 1.00 0.00 N ATOM 815 CA GLU A 64 -6.911 5.412 3.006 1.00 0.00 C ATOM 816 C GLU A 64 -6.507 4.535 4.202 1.00 0.00 C ATOM 817 O GLU A 64 -6.841 4.889 5.337 1.00 0.00 O ATOM 818 CB GLU A 64 -8.309 4.999 2.504 1.00 0.00 C ATOM 819 CG GLU A 64 -9.151 6.200 2.070 1.00 0.00 C ATOM 820 CD GLU A 64 -9.665 6.984 3.283 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.690 6.587 3.890 1.00 0.00 O ATOM 822 OE2 GLU A 64 -9.027 7.998 3.664 1.00 0.00 O ATOM 0 H GLU A 64 -6.339 5.127 1.004 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.932 6.440 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.202 4.311 1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.831 4.459 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.554 6.856 1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.995 5.858 1.470 1.00 0.00 H new ATOM 827 N ARG A 65 -5.765 3.444 3.964 1.00 0.00 N ATOM 828 CA ARG A 65 -5.152 2.603 4.999 1.00 0.00 C ATOM 829 C ARG A 65 -3.900 3.264 5.580 1.00 0.00 C ATOM 830 O ARG A 65 -3.799 3.463 6.789 1.00 0.00 O ATOM 831 CB ARG A 65 -4.831 1.226 4.374 1.00 0.00 C ATOM 832 CG ARG A 65 -4.229 0.183 5.338 1.00 0.00 C ATOM 833 CD ARG A 65 -5.268 -0.732 5.997 1.00 0.00 C ATOM 834 NE ARG A 65 -6.299 0.025 6.711 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.507 0.155 8.013 1.00 0.00 C ATOM 836 NH1 ARG A 65 -5.806 -0.466 8.942 1.00 0.00 N ATOM 837 NH2 ARG A 65 -7.475 0.961 8.371 1.00 0.00 N ATOM 0 H ARG A 65 -5.570 3.114 3.019 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.845 2.473 5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.748 0.816 3.950 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.136 1.375 3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.514 -0.432 4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.672 0.703 6.117 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.738 -1.353 5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.767 -1.406 6.692 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.957 0.528 6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.048 -1.094 8.674 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.022 -0.318 9.928 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.022 1.448 7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.682 1.101 9.360 1.00 0.00 H new ATOM 848 N ILE A 66 -2.927 3.604 4.732 1.00 0.00 N ATOM 849 CA ILE A 66 -1.603 4.095 5.167 1.00 0.00 C ATOM 850 C ILE A 66 -1.711 5.439 5.896 1.00 0.00 C ATOM 851 O ILE A 66 -1.084 5.633 6.938 1.00 0.00 O ATOM 852 CB ILE A 66 -0.663 4.154 3.944 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.412 2.727 3.402 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.683 4.812 4.293 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.069 2.727 1.954 1.00 0.00 C ATOM 0 H ILE A 66 -3.028 3.549 3.719 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.178 3.402 5.893 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.151 4.761 3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.329 2.230 4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.332 2.147 3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.317 4.835 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.511 5.830 4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.176 4.238 5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.230 1.701 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.683 3.198 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.004 3.282 1.881 1.00 0.00 H new ATOM 866 N ALA A 67 -2.562 6.337 5.396 1.00 0.00 N ATOM 867 CA ALA A 67 -2.817 7.633 6.003 1.00 0.00 C ATOM 868 C ALA A 67 -3.509 7.506 7.377 1.00 0.00 C ATOM 869 O ALA A 67 -3.254 8.339 8.250 1.00 0.00 O ATOM 870 CB ALA A 67 -3.644 8.481 5.030 1.00 0.00 C ATOM 0 H ALA A 67 -3.099 6.176 4.544 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.864 8.126 6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.842 9.456 5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.090 8.612 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.589 7.979 4.822 1.00 0.00 H new ATOM 876 N ALA A 68 -4.326 6.461 7.588 1.00 0.00 N ATOM 877 CA ALA A 68 -5.077 6.198 8.821 1.00 0.00 C ATOM 878 C ALA A 68 -4.249 5.472 9.893 1.00 0.00 C ATOM 879 O ALA A 68 -4.509 5.646 11.085 1.00 0.00 O ATOM 880 CB ALA A 68 -6.335 5.399 8.460 1.00 0.00 C ATOM 0 H ALA A 68 -4.486 5.750 6.875 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.348 7.156 9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.907 5.193 9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.947 5.977 7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.046 4.458 7.991 1.00 0.00 H new ATOM 886 N LEU A 69 -3.209 4.723 9.502 1.00 0.00 N ATOM 887 CA LEU A 69 -2.119 4.339 10.420 1.00 0.00 C ATOM 888 C LEU A 69 -1.256 5.548 10.860 1.00 0.00 C ATOM 889 O LEU A 69 -0.534 5.455 11.857 1.00 0.00 O ATOM 890 CB LEU A 69 -1.267 3.218 9.788 1.00 0.00 C ATOM 891 CG LEU A 69 -1.695 1.782 10.160 1.00 0.00 C ATOM 892 CD1 LEU A 69 -1.643 1.532 11.674 1.00 0.00 C ATOM 893 CD2 LEU A 69 -3.084 1.412 9.623 1.00 0.00 C ATOM 0 H LEU A 69 -3.096 4.368 8.552 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.572 3.955 11.334 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.304 3.322 8.704 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.228 3.360 10.087 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.965 1.135 9.674 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.953 0.508 11.885 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.625 1.684 12.033 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.314 2.226 12.181 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.328 0.391 9.917 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.827 2.095 10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.085 1.486 8.536 1.00 0.00 H new ATOM 904 N GLY A 70 -1.358 6.686 10.159 1.00 0.00 N ATOM 905 CA GLY A 70 -0.716 7.970 10.489 1.00 0.00 C ATOM 906 C GLY A 70 0.475 8.340 9.600 1.00 0.00 C ATOM 907 O GLY A 70 1.110 9.371 9.830 1.00 0.00 O ATOM 0 H GLY A 70 -1.916 6.741 9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.462 8.761 10.420 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.381 7.937 11.526 1.00 0.00 H new ATOM 911 N TYR A 71 0.771 7.526 8.586 1.00 0.00 N ATOM 912 CA TYR A 71 1.901 7.695 7.661 1.00 0.00 C ATOM 913 C TYR A 71 1.457 8.332 6.331 1.00 0.00 C ATOM 914 O TYR A 71 0.361 8.889 6.244 1.00 0.00 O ATOM 915 CB TYR A 71 2.576 6.323 7.487 1.00 0.00 C ATOM 916 CG TYR A 71 2.939 5.678 8.812 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.841 6.330 9.673 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.312 4.487 9.227 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.115 5.803 10.945 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.579 3.955 10.504 1.00 0.00 C ATOM 921 CZ TYR A 71 3.475 4.619 11.371 1.00 0.00 C ATOM 922 OH TYR A 71 3.703 4.130 12.621 1.00 0.00 O ATOM 0 H TYR A 71 0.212 6.699 8.375 1.00 0.00 H new ATOM 0 HA TYR A 71 2.630 8.394 8.071 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.908 5.661 6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.477 6.439 6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.325 7.241 9.353 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.625 3.981 8.565 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.815 6.303 11.598 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.099 3.040 10.820 1.00 0.00 H new ATOM 0 HH TYR A 71 3.183 3.310 12.751 1.00 0.00 H new ATOM 931 N THR A 72 2.285 8.251 5.289 1.00 0.00 N ATOM 932 CA THR A 72 1.972 8.662 3.910 1.00 0.00 C ATOM 933 C THR A 72 2.618 7.677 2.935 1.00 0.00 C ATOM 934 O THR A 72 3.443 6.866 3.363 1.00 0.00 O ATOM 935 CB THR A 72 2.495 10.077 3.615 1.00 0.00 C ATOM 936 OG1 THR A 72 3.883 10.117 3.864 1.00 0.00 O ATOM 937 CG2 THR A 72 1.815 11.171 4.437 1.00 0.00 C ATOM 0 H THR A 72 3.232 7.883 5.381 1.00 0.00 H new ATOM 0 HA THR A 72 0.888 8.665 3.791 1.00 0.00 H new ATOM 0 HB THR A 72 2.266 10.280 2.569 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.223 11.017 3.676 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.238 12.140 4.173 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.745 11.172 4.227 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.976 10.982 5.498 1.00 0.00 H new ATOM 945 N LEU A 73 2.281 7.759 1.644 1.00 0.00 N ATOM 946 CA LEU A 73 2.931 6.984 0.572 1.00 0.00 C ATOM 947 C LEU A 73 3.455 7.875 -0.562 1.00 0.00 C ATOM 948 O LEU A 73 3.030 9.028 -0.705 1.00 0.00 O ATOM 949 CB LEU A 73 1.977 5.872 0.076 1.00 0.00 C ATOM 950 CG LEU A 73 0.829 6.306 -0.869 1.00 0.00 C ATOM 951 CD1 LEU A 73 1.221 6.265 -2.358 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.368 5.367 -0.677 1.00 0.00 C ATOM 0 H LEU A 73 1.540 8.372 1.305 1.00 0.00 H new ATOM 0 HA LEU A 73 3.819 6.504 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.573 5.118 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.535 5.390 0.948 1.00 0.00 H new ATOM 0 HG LEU A 73 0.588 7.337 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.373 6.580 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.062 6.937 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.506 5.249 -2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.178 5.670 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.070 4.345 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.708 5.418 0.357 1.00 0.00 H new ATOM 963 N ALA A 74 4.328 7.311 -1.405 1.00 0.00 N ATOM 964 CA ALA A 74 4.767 7.931 -2.658 1.00 0.00 C ATOM 965 C ALA A 74 4.863 6.925 -3.823 1.00 0.00 C ATOM 966 O ALA A 74 5.621 5.948 -3.773 1.00 0.00 O ATOM 967 CB ALA A 74 6.097 8.660 -2.420 1.00 0.00 C ATOM 0 H ALA A 74 4.754 6.400 -1.233 1.00 0.00 H new ATOM 0 HA ALA A 74 4.010 8.653 -2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.429 9.124 -3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.960 9.429 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.848 7.946 -2.082 1.00 0.00 H new ATOM 973 N GLU A 75 4.116 7.207 -4.893 1.00 0.00 N ATOM 974 CA GLU A 75 4.107 6.492 -6.174 1.00 0.00 C ATOM 975 C GLU A 75 4.143 7.558 -7.301 1.00 0.00 C ATOM 976 O GLU A 75 3.108 8.171 -7.582 1.00 0.00 O ATOM 977 CB GLU A 75 2.847 5.593 -6.224 1.00 0.00 C ATOM 978 CG GLU A 75 3.004 4.321 -7.066 1.00 0.00 C ATOM 979 CD GLU A 75 3.362 4.591 -8.520 1.00 0.00 C ATOM 980 OE1 GLU A 75 2.455 4.925 -9.319 1.00 0.00 O ATOM 981 OE2 GLU A 75 4.556 4.435 -8.865 1.00 0.00 O ATOM 0 H GLU A 75 3.461 7.989 -4.889 1.00 0.00 H new ATOM 0 HA GLU A 75 4.970 5.838 -6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.579 5.309 -5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.016 6.176 -6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.777 3.694 -6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.074 3.754 -7.029 1.00 0.00 H new ATOM 986 N PRO A 76 5.315 7.882 -7.885 1.00 0.00 N ATOM 987 CA PRO A 76 5.527 9.107 -8.671 1.00 0.00 C ATOM 988 C PRO A 76 4.932 9.067 -10.083 1.00 0.00 C ATOM 989 O PRO A 76 4.167 9.992 -10.441 1.00 0.00 O ATOM 990 CB PRO A 76 7.046 9.312 -8.695 1.00 0.00 C ATOM 991 CG PRO A 76 7.610 7.903 -8.554 1.00 0.00 C ATOM 992 CD PRO A 76 6.593 7.230 -7.638 1.00 0.00 C ATOM 0 HA PRO A 76 5.000 9.941 -8.208 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.371 9.781 -9.624 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.375 9.957 -7.880 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.685 7.398 -9.517 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.609 7.908 -8.117 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.530 6.162 -7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.885 7.333 -6.593 1.00 0.00 H new