USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 319 hydrogens (2 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 30 ASN : amide:sc= 0.863 K(o=2,f=-4.9) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -142:sc= 1.09 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -108:sc= 0.0453 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -153:sc= 0.935 (180deg=0.511) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 180:sc= 0.0127 USER MOD Single : A 9 CYS SG : rot 73:sc= 0.0304 USER MOD Single : A 10 SER OG : rot 87:sc= 1.32 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 76:sc= 1.07 USER MOD Single : A 21 ASN : amide:sc= 0.995 K(o=1,f=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 137:sc= 1.23 (180deg=0.361) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -28.193 -55.260 22.607 1.00 2.23 N ATOM 2 CA LYS A 1 -28.758 -56.492 23.231 1.00 2.86 C ATOM 3 C LYS A 1 -27.614 -57.468 23.561 1.00 2.04 C ATOM 4 O LYS A 1 -26.508 -57.442 22.986 1.00 1.52 O ATOM 5 CB LYS A 1 -29.956 -57.028 22.377 1.00 2.67 C ATOM 6 CG LYS A 1 -30.874 -57.985 23.169 1.00 2.46 C ATOM 7 CD LYS A 1 -31.487 -57.390 24.449 1.00 2.44 C ATOM 8 CE LYS A 1 -32.838 -58.047 24.833 1.00 2.80 C ATOM 9 NZ LYS A 1 -33.976 -57.704 24.009 1.00 2.13 N1+ ATOM 0 H1 LYS A 1 -28.253 -54.470 23.281 1.00 2.23 H new ATOM 0 H2 LYS A 1 -27.198 -55.424 22.354 1.00 2.23 H new ATOM 0 H3 LYS A 1 -28.734 -55.026 21.750 1.00 2.23 H new ATOM 0 HA LYS A 1 -29.219 -56.297 24.199 1.00 2.86 H new ATOM 0 HB2 LYS A 1 -30.544 -56.185 22.015 1.00 2.67 H new ATOM 0 HB3 LYS A 1 -29.568 -57.546 21.500 1.00 2.67 H new ATOM 0 HG2 LYS A 1 -31.683 -58.312 22.515 1.00 2.46 H new ATOM 0 HG3 LYS A 1 -30.302 -58.873 23.437 1.00 2.46 H new ATOM 0 HD2 LYS A 1 -30.783 -57.510 25.273 1.00 2.44 H new ATOM 0 HD3 LYS A 1 -31.636 -56.319 24.311 1.00 2.44 H new ATOM 0 HE2 LYS A 1 -32.711 -59.129 24.807 1.00 2.80 H new ATOM 0 HE3 LYS A 1 -33.069 -57.777 25.864 1.00 2.80 H new ATOM 0 HZ1 LYS A 1 -34.820 -58.200 24.359 1.00 2.13 H new ATOM 0 HZ2 LYS A 1 -34.137 -56.677 24.049 1.00 2.13 H new ATOM 0 HZ3 LYS A 1 -33.791 -57.987 23.026 1.00 2.13 H new ATOM 25 N LYS A 2 -27.846 -58.337 24.596 1.00 2.23 N ATOM 26 CA LYS A 2 -26.969 -59.358 25.030 1.00 2.86 C ATOM 27 C LYS A 2 -26.475 -60.251 23.820 1.00 2.04 C ATOM 28 O LYS A 2 -27.166 -60.578 22.871 1.00 1.52 O ATOM 29 CB LYS A 2 -27.555 -60.240 26.204 1.00 2.67 C ATOM 30 CG LYS A 2 -28.855 -60.967 25.734 1.00 2.46 C ATOM 31 CD LYS A 2 -29.257 -62.123 26.630 1.00 2.44 C ATOM 32 CE LYS A 2 -28.339 -63.298 27.082 1.00 2.80 C ATOM 33 NZ LYS A 2 -28.134 -64.229 25.905 1.00 2.13 N1+ ATOM 0 H LYS A 2 -28.705 -58.302 25.145 1.00 2.23 H new ATOM 0 HA LYS A 2 -26.102 -58.847 25.450 1.00 2.86 H new ATOM 0 HB2 LYS A 2 -26.814 -60.973 26.523 1.00 2.67 H new ATOM 0 HB3 LYS A 2 -27.773 -59.611 27.067 1.00 2.67 H new ATOM 0 HG2 LYS A 2 -29.672 -60.246 25.695 1.00 2.46 H new ATOM 0 HG3 LYS A 2 -28.709 -61.337 24.719 1.00 2.46 H new ATOM 0 HD2 LYS A 2 -29.625 -61.668 27.549 1.00 2.44 H new ATOM 0 HD3 LYS A 2 -30.112 -62.590 26.141 1.00 2.44 H new ATOM 0 HE2 LYS A 2 -27.381 -62.916 27.434 1.00 2.80 H new ATOM 0 HE3 LYS A 2 -28.793 -63.835 27.915 1.00 2.80 H new ATOM 0 HZ1 LYS A 2 -27.943 -65.191 26.252 1.00 2.13 H new ATOM 0 HZ2 LYS A 2 -28.991 -64.238 25.316 1.00 2.13 H new ATOM 0 HZ3 LYS A 2 -27.327 -63.899 25.338 1.00 2.13 H new ATOM 47 N LYS A 3 -25.227 -60.660 23.930 1.00 2.23 N ATOM 48 CA LYS A 3 -24.755 -61.738 23.044 1.00 2.86 C ATOM 49 C LYS A 3 -25.602 -63.050 23.069 1.00 2.04 C ATOM 50 O LYS A 3 -25.939 -63.560 24.143 1.00 1.52 O ATOM 51 CB LYS A 3 -23.266 -62.028 23.344 1.00 2.67 C ATOM 52 CG LYS A 3 -22.577 -62.696 22.083 1.00 2.46 C ATOM 53 CD LYS A 3 -21.018 -62.456 21.954 1.00 2.44 C ATOM 54 CE LYS A 3 -20.256 -63.174 23.109 1.00 2.80 C ATOM 55 NZ LYS A 3 -18.775 -62.935 23.082 1.00 2.13 N1+ ATOM 0 H LYS A 3 -24.539 -60.292 24.587 1.00 2.23 H new ATOM 0 HA LYS A 3 -24.881 -61.367 22.027 1.00 2.86 H new ATOM 0 HB2 LYS A 3 -22.752 -61.102 23.601 1.00 2.67 H new ATOM 0 HB3 LYS A 3 -23.183 -62.689 24.207 1.00 2.67 H new ATOM 0 HG2 LYS A 3 -22.760 -63.770 22.116 1.00 2.46 H new ATOM 0 HG3 LYS A 3 -23.061 -62.318 21.183 1.00 2.46 H new ATOM 0 HD2 LYS A 3 -20.666 -62.828 20.992 1.00 2.44 H new ATOM 0 HD3 LYS A 3 -20.806 -61.387 21.980 1.00 2.44 H new ATOM 0 HE2 LYS A 3 -20.655 -62.833 24.065 1.00 2.80 H new ATOM 0 HE3 LYS A 3 -20.445 -64.246 23.049 1.00 2.80 H new ATOM 0 HZ1 LYS A 3 -18.328 -63.439 23.874 1.00 2.13 H new ATOM 0 HZ2 LYS A 3 -18.383 -63.284 22.184 1.00 2.13 H new ATOM 0 HZ3 LYS A 3 -18.586 -61.916 23.169 1.00 2.13 H new ATOM 69 N GLY A 4 -25.995 -63.502 21.848 1.00 2.23 N ATOM 70 CA GLY A 4 -26.882 -64.631 21.716 1.00 2.38 C ATOM 71 C GLY A 4 -27.934 -64.463 20.674 1.00 2.04 C ATOM 72 O GLY A 4 -28.024 -65.214 19.682 1.00 1.52 O ATOM 0 H GLY A 4 -25.701 -63.089 20.963 1.00 2.23 H new ATOM 0 HA2 GLY A 4 -26.292 -65.517 21.481 1.00 2.38 H new ATOM 0 HA3 GLY A 4 -27.364 -64.814 22.676 1.00 2.38 H new ATOM 76 N ILE A 5 -28.814 -63.485 20.868 1.00 2.23 N ATOM 77 CA ILE A 5 -30.004 -63.294 19.999 1.00 2.86 C ATOM 78 C ILE A 5 -29.606 -62.427 18.717 1.00 2.04 C ATOM 79 O ILE A 5 -30.216 -62.531 17.660 1.00 1.52 O ATOM 80 CB ILE A 5 -31.071 -62.656 20.784 1.00 2.67 C ATOM 81 CG1 ILE A 5 -32.497 -62.604 20.133 1.00 2.46 C ATOM 82 CG2 ILE A 5 -30.650 -61.197 21.214 1.00 2.46 C ATOM 83 CD1 ILE A 5 -33.280 -63.917 20.093 1.00 2.44 C ATOM 0 H ILE A 5 -28.737 -62.801 21.621 1.00 2.23 H new ATOM 0 HA ILE A 5 -30.372 -64.255 19.640 1.00 2.86 H new ATOM 0 HB ILE A 5 -31.177 -63.320 21.642 1.00 2.67 H new ATOM 0 HG12 ILE A 5 -33.092 -61.869 20.675 1.00 2.46 H new ATOM 0 HG13 ILE A 5 -32.392 -62.239 19.111 1.00 2.46 H new ATOM 0 HG21 ILE A 5 -31.453 -60.743 21.794 1.00 2.46 H new ATOM 0 HG22 ILE A 5 -29.746 -61.243 21.821 1.00 2.46 H new ATOM 0 HG23 ILE A 5 -30.460 -60.596 20.325 1.00 2.46 H new ATOM 0 HD11 ILE A 5 -34.248 -63.749 19.620 1.00 2.44 H new ATOM 0 HD12 ILE A 5 -32.720 -64.657 19.521 1.00 2.44 H new ATOM 0 HD13 ILE A 5 -33.431 -64.282 21.109 1.00 2.44 H new ATOM 95 N CYS A 6 -28.550 -61.645 18.835 1.00 2.23 N ATOM 96 CA CYS A 6 -27.846 -60.976 17.766 1.00 2.86 C ATOM 97 C CYS A 6 -27.445 -61.972 16.589 1.00 2.04 C ATOM 98 O CYS A 6 -27.537 -61.622 15.448 1.00 1.52 O ATOM 99 CB CYS A 6 -26.582 -60.298 18.309 1.00 2.67 C ATOM 100 SG CYS A 6 -25.210 -61.292 18.951 1.00 2.00 S ATOM 0 H CYS A 6 -28.135 -61.449 19.746 1.00 2.23 H new ATOM 0 HA CYS A 6 -28.526 -60.229 17.355 1.00 2.86 H new ATOM 0 HB2 CYS A 6 -26.182 -59.675 17.509 1.00 2.67 H new ATOM 0 HB3 CYS A 6 -26.895 -59.627 19.109 1.00 2.67 H new ATOM 0 HG CYS A 6 -24.255 -60.506 19.351 1.00 2.00 H new ATOM 106 N PHE A 7 -27.017 -63.244 16.929 1.00 2.23 N ATOM 107 CA PHE A 7 -26.645 -64.217 15.852 1.00 2.86 C ATOM 108 C PHE A 7 -27.913 -64.597 15.025 1.00 2.04 C ATOM 109 O PHE A 7 -27.855 -64.582 13.809 1.00 1.52 O ATOM 110 CB PHE A 7 -25.925 -65.540 16.329 1.00 2.67 C ATOM 111 CG PHE A 7 -24.657 -65.122 17.070 1.00 2.46 C ATOM 112 CD1 PHE A 7 -24.641 -65.281 18.523 1.00 2.00 C ATOM 113 CD2 PHE A 7 -23.591 -64.321 16.446 1.00 2.00 C ATOM 114 CE1 PHE A 7 -23.558 -64.698 19.239 1.00 2.00 C ATOM 115 CE2 PHE A 7 -22.515 -63.888 17.193 1.00 2.00 C ATOM 116 CZ PHE A 7 -22.508 -63.991 18.550 1.00 2.00 C ATOM 0 H PHE A 7 -26.928 -63.594 17.883 1.00 2.23 H new ATOM 0 HA PHE A 7 -25.905 -63.689 15.251 1.00 2.86 H new ATOM 0 HB2 PHE A 7 -26.578 -66.120 16.981 1.00 2.67 H new ATOM 0 HB3 PHE A 7 -25.681 -66.174 15.477 1.00 2.67 H new ATOM 0 HD1 PHE A 7 -25.423 -65.822 19.035 1.00 2.00 H new ATOM 0 HD2 PHE A 7 -23.652 -64.071 15.397 1.00 2.00 H new ATOM 0 HE1 PHE A 7 -23.522 -64.787 20.315 1.00 2.00 H new ATOM 0 HE2 PHE A 7 -21.661 -63.459 16.691 1.00 2.00 H new ATOM 0 HZ PHE A 7 -21.707 -63.538 19.116 1.00 2.00 H new ATOM 126 N PHE A 8 -29.022 -64.839 15.624 1.00 2.23 N ATOM 127 CA PHE A 8 -30.284 -65.165 15.039 1.00 2.86 C ATOM 128 C PHE A 8 -30.823 -63.992 14.177 1.00 2.04 C ATOM 129 O PHE A 8 -31.325 -64.215 13.073 1.00 1.52 O ATOM 130 CB PHE A 8 -31.394 -65.516 16.125 1.00 2.67 C ATOM 131 CG PHE A 8 -31.215 -66.846 16.740 1.00 2.46 C ATOM 132 CD1 PHE A 8 -30.716 -66.990 18.039 1.00 2.00 C ATOM 133 CD2 PHE A 8 -31.600 -67.983 16.084 1.00 2.00 C ATOM 134 CE1 PHE A 8 -30.601 -68.252 18.628 1.00 2.00 C ATOM 135 CE2 PHE A 8 -31.700 -69.227 16.810 1.00 2.00 C ATOM 136 CZ PHE A 8 -31.148 -69.358 18.050 1.00 2.00 C ATOM 0 H PHE A 8 -29.080 -64.812 16.642 1.00 2.23 H new ATOM 0 HA PHE A 8 -30.099 -66.044 14.422 1.00 2.86 H new ATOM 0 HB2 PHE A 8 -31.378 -64.757 16.908 1.00 2.67 H new ATOM 0 HB3 PHE A 8 -32.377 -65.470 15.656 1.00 2.67 H new ATOM 0 HD1 PHE A 8 -30.416 -66.114 18.594 1.00 2.00 H new ATOM 0 HD2 PHE A 8 -31.828 -67.950 15.029 1.00 2.00 H new ATOM 0 HE1 PHE A 8 -30.067 -68.353 19.561 1.00 2.00 H new ATOM 0 HE2 PHE A 8 -32.218 -70.064 16.366 1.00 2.00 H new ATOM 0 HZ PHE A 8 -31.144 -70.311 18.559 1.00 2.00 H new ATOM 146 N CYS A 9 -30.772 -62.752 14.751 1.00 2.23 N ATOM 147 CA CYS A 9 -31.042 -61.518 14.028 1.00 2.86 C ATOM 148 C CYS A 9 -30.174 -61.401 12.710 1.00 2.04 C ATOM 149 O CYS A 9 -30.667 -61.104 11.634 1.00 1.52 O ATOM 150 CB CYS A 9 -30.867 -60.268 14.828 1.00 2.67 C ATOM 151 SG CYS A 9 -32.065 -60.085 16.173 1.00 2.00 S ATOM 0 H CYS A 9 -30.539 -62.605 15.733 1.00 2.23 H new ATOM 0 HA CYS A 9 -32.101 -61.596 13.780 1.00 2.86 H new ATOM 0 HB2 CYS A 9 -29.861 -60.254 15.246 1.00 2.67 H new ATOM 0 HB3 CYS A 9 -30.948 -59.408 14.163 1.00 2.67 H new ATOM 0 HG CYS A 9 -31.772 -60.914 17.131 1.00 2.00 H new ATOM 157 N SER A 10 -28.827 -61.627 12.803 1.00 2.23 N ATOM 158 CA SER A 10 -27.792 -61.489 11.786 1.00 2.86 C ATOM 159 C SER A 10 -28.123 -62.368 10.592 1.00 2.04 C ATOM 160 O SER A 10 -28.134 -61.936 9.481 1.00 1.52 O ATOM 161 CB SER A 10 -26.376 -61.875 12.327 1.00 2.67 C ATOM 162 OG SER A 10 -25.987 -61.002 13.382 1.00 1.64 O ATOM 0 H SER A 10 -28.424 -61.940 13.686 1.00 2.23 H new ATOM 0 HA SER A 10 -27.766 -60.440 11.492 1.00 2.86 H new ATOM 0 HB2 SER A 10 -26.386 -62.905 12.685 1.00 2.67 H new ATOM 0 HB3 SER A 10 -25.646 -61.825 11.519 1.00 2.67 H new ATOM 0 HG SER A 10 -26.335 -61.342 14.233 1.00 1.64 H new ATOM 168 N TYR A 11 -28.476 -63.646 10.871 1.00 2.23 N ATOM 169 CA TYR A 11 -28.877 -64.618 9.888 1.00 2.86 C ATOM 170 C TYR A 11 -30.228 -64.276 9.178 1.00 2.04 C ATOM 171 O TYR A 11 -30.362 -64.503 7.956 1.00 1.52 O ATOM 172 CB TYR A 11 -28.971 -66.067 10.478 1.00 2.67 C ATOM 173 CG TYR A 11 -27.669 -66.693 10.770 1.00 2.46 C ATOM 174 CD1 TYR A 11 -26.666 -66.750 9.758 1.00 2.00 C ATOM 175 CD2 TYR A 11 -27.371 -67.217 12.027 1.00 2.00 C ATOM 176 CE1 TYR A 11 -25.374 -67.275 10.070 1.00 2.00 C ATOM 177 CE2 TYR A 11 -26.113 -67.848 12.321 1.00 2.00 C ATOM 178 CZ TYR A 11 -25.086 -67.777 11.369 1.00 2.00 C ATOM 179 OH TYR A 11 -23.819 -68.349 11.615 1.00 1.85 O ATOM 0 H TYR A 11 -28.482 -64.016 11.822 1.00 2.23 H new ATOM 0 HA TYR A 11 -28.083 -64.580 9.143 1.00 2.86 H new ATOM 0 HB2 TYR A 11 -29.558 -66.035 11.396 1.00 2.67 H new ATOM 0 HB3 TYR A 11 -29.514 -66.698 9.774 1.00 2.67 H new ATOM 0 HD1 TYR A 11 -26.882 -66.398 8.760 1.00 2.00 H new ATOM 0 HD2 TYR A 11 -28.113 -67.146 12.809 1.00 2.00 H new ATOM 0 HE1 TYR A 11 -24.607 -67.291 9.310 1.00 2.00 H new ATOM 0 HE2 TYR A 11 -25.962 -68.366 13.256 1.00 2.00 H new ATOM 0 HH TYR A 11 -23.770 -68.646 12.548 1.00 1.85 H new ATOM 189 N ILE A 12 -31.249 -63.675 9.761 1.00 2.23 N ATOM 190 CA ILE A 12 -32.468 -63.209 9.017 1.00 2.86 C ATOM 191 C ILE A 12 -32.103 -62.105 8.037 1.00 2.04 C ATOM 192 O ILE A 12 -32.395 -62.089 6.854 1.00 1.52 O ATOM 193 CB ILE A 12 -33.550 -62.835 10.011 1.00 2.67 C ATOM 194 CG1 ILE A 12 -33.966 -64.084 10.790 1.00 2.46 C ATOM 195 CG2 ILE A 12 -34.736 -62.241 9.176 1.00 2.46 C ATOM 196 CD1 ILE A 12 -35.137 -63.800 11.749 1.00 2.44 C ATOM 0 H ILE A 12 -31.284 -63.483 10.762 1.00 2.23 H new ATOM 0 HA ILE A 12 -32.877 -64.012 8.403 1.00 2.86 H new ATOM 0 HB ILE A 12 -33.211 -62.100 10.741 1.00 2.67 H new ATOM 0 HG12 ILE A 12 -34.252 -64.869 10.090 1.00 2.46 H new ATOM 0 HG13 ILE A 12 -33.114 -64.458 11.358 1.00 2.46 H new ATOM 0 HG21 ILE A 12 -35.546 -61.954 9.847 1.00 2.46 H new ATOM 0 HG22 ILE A 12 -34.392 -61.364 8.627 1.00 2.46 H new ATOM 0 HG23 ILE A 12 -35.097 -62.991 8.472 1.00 2.46 H new ATOM 0 HD11 ILE A 12 -35.400 -64.714 12.282 1.00 2.44 H new ATOM 0 HD12 ILE A 12 -34.842 -63.034 12.466 1.00 2.44 H new ATOM 0 HD13 ILE A 12 -35.998 -63.452 11.179 1.00 2.44 H new ATOM 208 N ILE A 13 -31.307 -61.126 8.554 1.00 2.23 N ATOM 209 CA ILE A 13 -30.736 -60.028 7.646 1.00 2.86 C ATOM 210 C ILE A 13 -29.822 -60.543 6.483 1.00 2.04 C ATOM 211 O ILE A 13 -29.939 -60.108 5.360 1.00 1.52 O ATOM 212 CB ILE A 13 -29.944 -59.044 8.512 1.00 2.67 C ATOM 213 CG1 ILE A 13 -30.880 -58.229 9.501 1.00 2.46 C ATOM 214 CG2 ILE A 13 -29.239 -57.973 7.564 1.00 2.46 C ATOM 215 CD1 ILE A 13 -30.118 -57.453 10.536 1.00 2.44 C ATOM 0 H ILE A 13 -31.043 -61.053 9.537 1.00 2.23 H new ATOM 0 HA ILE A 13 -31.590 -59.557 7.160 1.00 2.86 H new ATOM 0 HB ILE A 13 -29.228 -59.628 9.090 1.00 2.67 H new ATOM 0 HG12 ILE A 13 -31.497 -57.541 8.922 1.00 2.46 H new ATOM 0 HG13 ILE A 13 -31.558 -58.921 10.002 1.00 2.46 H new ATOM 0 HG21 ILE A 13 -28.672 -57.267 8.171 1.00 2.46 H new ATOM 0 HG22 ILE A 13 -28.565 -58.484 6.876 1.00 2.46 H new ATOM 0 HG23 ILE A 13 -29.998 -57.435 6.996 1.00 2.46 H new ATOM 0 HD11 ILE A 13 -30.818 -56.919 11.179 1.00 2.44 H new ATOM 0 HD12 ILE A 13 -29.522 -58.138 11.139 1.00 2.44 H new ATOM 0 HD13 ILE A 13 -29.460 -56.737 10.043 1.00 2.44 H new ATOM 227 N ILE A 14 -28.856 -61.480 6.708 1.00 2.23 N ATOM 228 CA ILE A 14 -28.174 -62.219 5.629 1.00 2.86 C ATOM 229 C ILE A 14 -29.097 -63.030 4.738 1.00 2.04 C ATOM 230 O ILE A 14 -28.859 -63.177 3.561 1.00 1.52 O ATOM 231 CB ILE A 14 -26.993 -63.152 6.012 1.00 2.67 C ATOM 232 CG1 ILE A 14 -26.051 -62.315 6.940 1.00 2.46 C ATOM 233 CG2 ILE A 14 -26.173 -63.707 4.777 1.00 2.46 C ATOM 234 CD1 ILE A 14 -25.166 -61.209 6.311 1.00 2.44 C ATOM 0 H ILE A 14 -28.537 -61.736 7.642 1.00 2.23 H new ATOM 0 HA ILE A 14 -27.755 -61.363 5.101 1.00 2.86 H new ATOM 0 HB ILE A 14 -27.399 -64.038 6.501 1.00 2.67 H new ATOM 0 HG12 ILE A 14 -26.673 -61.845 7.702 1.00 2.46 H new ATOM 0 HG13 ILE A 14 -25.390 -63.013 7.454 1.00 2.46 H new ATOM 0 HG21 ILE A 14 -25.368 -64.349 5.134 1.00 2.46 H new ATOM 0 HG22 ILE A 14 -26.835 -64.281 4.129 1.00 2.46 H new ATOM 0 HG23 ILE A 14 -25.751 -62.873 4.216 1.00 2.46 H new ATOM 0 HD11 ILE A 14 -24.576 -60.727 7.091 1.00 2.44 H new ATOM 0 HD12 ILE A 14 -24.498 -61.653 5.573 1.00 2.44 H new ATOM 0 HD13 ILE A 14 -25.801 -60.467 5.826 1.00 2.44 H new ATOM 246 N SER A 15 -30.179 -63.692 5.252 1.00 2.23 N ATOM 247 CA SER A 15 -31.205 -64.392 4.402 1.00 2.86 C ATOM 248 C SER A 15 -31.949 -63.381 3.579 1.00 2.04 C ATOM 249 O SER A 15 -32.170 -63.658 2.393 1.00 1.52 O ATOM 250 CB SER A 15 -32.199 -65.147 5.248 1.00 2.67 C ATOM 251 OG SER A 15 -31.501 -66.123 5.999 1.00 1.64 O ATOM 0 H SER A 15 -30.366 -63.757 6.253 1.00 2.23 H new ATOM 0 HA SER A 15 -30.680 -65.100 3.761 1.00 2.86 H new ATOM 0 HB2 SER A 15 -32.727 -64.463 5.913 1.00 2.67 H new ATOM 0 HB3 SER A 15 -32.951 -65.621 4.617 1.00 2.67 H new ATOM 0 HG SER A 15 -31.035 -65.690 6.745 1.00 1.64 H new ATOM 257 N PHE A 16 -32.404 -62.233 4.092 1.00 2.23 N ATOM 258 CA PHE A 16 -33.054 -61.237 3.228 1.00 2.86 C ATOM 259 C PHE A 16 -32.109 -60.537 2.258 1.00 2.04 C ATOM 260 O PHE A 16 -32.601 -59.997 1.287 1.00 1.52 O ATOM 261 CB PHE A 16 -33.798 -60.192 4.071 1.00 2.67 C ATOM 262 CG PHE A 16 -34.929 -60.768 4.822 1.00 2.46 C ATOM 263 CD1 PHE A 16 -35.743 -61.859 4.446 1.00 2.00 C ATOM 264 CD2 PHE A 16 -35.292 -60.070 5.970 1.00 2.00 C ATOM 265 CE1 PHE A 16 -36.832 -62.298 5.208 1.00 2.00 C ATOM 266 CE2 PHE A 16 -36.474 -60.414 6.674 1.00 2.00 C ATOM 267 CZ PHE A 16 -37.234 -61.530 6.296 1.00 2.00 C ATOM 0 H PHE A 16 -32.338 -61.972 5.076 1.00 2.23 H new ATOM 0 HA PHE A 16 -33.759 -61.801 2.617 1.00 2.86 H new ATOM 0 HB2 PHE A 16 -33.100 -59.731 4.770 1.00 2.67 H new ATOM 0 HB3 PHE A 16 -34.166 -59.400 3.419 1.00 2.67 H new ATOM 0 HD1 PHE A 16 -35.515 -62.379 3.527 1.00 2.00 H new ATOM 0 HD2 PHE A 16 -34.670 -59.262 6.327 1.00 2.00 H new ATOM 0 HE1 PHE A 16 -37.349 -63.213 4.957 1.00 2.00 H new ATOM 0 HE2 PHE A 16 -36.792 -59.810 7.511 1.00 2.00 H new ATOM 0 HZ PHE A 16 -38.126 -61.792 6.846 1.00 2.00 H new ATOM 277 N LEU A 17 -30.721 -60.565 2.505 1.00 2.23 N ATOM 278 CA LEU A 17 -29.711 -59.964 1.702 1.00 2.86 C ATOM 279 C LEU A 17 -29.575 -60.791 0.398 1.00 2.04 C ATOM 280 O LEU A 17 -29.333 -60.307 -0.701 1.00 1.52 O ATOM 281 CB LEU A 17 -28.407 -59.757 2.519 1.00 2.67 C ATOM 282 CG LEU A 17 -27.228 -59.014 1.743 1.00 2.46 C ATOM 283 CD1 LEU A 17 -27.499 -57.559 1.885 1.00 2.44 C ATOM 284 CD2 LEU A 17 -26.008 -59.562 2.378 1.00 2.44 C ATOM 0 H LEU A 17 -30.333 -61.043 3.318 1.00 2.23 H new ATOM 0 HA LEU A 17 -29.979 -58.953 1.396 1.00 2.86 H new ATOM 0 HB2 LEU A 17 -28.646 -59.186 3.416 1.00 2.67 H new ATOM 0 HB3 LEU A 17 -28.046 -60.731 2.849 1.00 2.67 H new ATOM 0 HG LEU A 17 -27.124 -59.166 0.669 1.00 2.46 H new ATOM 0 HD11 LEU A 17 -26.722 -56.992 1.372 1.00 2.44 H new ATOM 0 HD12 LEU A 17 -28.469 -57.325 1.446 1.00 2.44 H new ATOM 0 HD13 LEU A 17 -27.505 -57.291 2.942 1.00 2.44 H new ATOM 0 HD21 LEU A 17 -25.126 -59.116 1.917 1.00 2.44 H new ATOM 0 HD22 LEU A 17 -26.017 -59.331 3.443 1.00 2.44 H new ATOM 0 HD23 LEU A 17 -25.981 -60.643 2.242 1.00 2.44 H new ATOM 296 N ILE A 18 -29.791 -62.140 0.461 1.00 2.23 N ATOM 297 CA ILE A 18 -29.772 -63.049 -0.686 1.00 2.86 C ATOM 298 C ILE A 18 -30.996 -62.992 -1.467 1.00 2.04 C ATOM 299 O ILE A 18 -31.034 -63.066 -2.701 1.00 1.52 O ATOM 300 CB ILE A 18 -29.388 -64.434 -0.135 1.00 2.67 C ATOM 301 CG1 ILE A 18 -27.892 -64.548 0.240 1.00 2.46 C ATOM 302 CG2 ILE A 18 -29.870 -65.543 -1.087 1.00 2.46 C ATOM 303 CD1 ILE A 18 -27.526 -65.873 0.936 1.00 2.44 C ATOM 0 H ILE A 18 -29.986 -62.618 1.341 1.00 2.23 H new ATOM 0 HA ILE A 18 -29.029 -62.755 -1.427 1.00 2.86 H new ATOM 0 HB ILE A 18 -29.910 -64.570 0.812 1.00 2.67 H new ATOM 0 HG12 ILE A 18 -27.291 -64.445 -0.664 1.00 2.46 H new ATOM 0 HG13 ILE A 18 -27.627 -63.718 0.895 1.00 2.46 H new ATOM 0 HG21 ILE A 18 -29.591 -66.516 -0.683 1.00 2.46 H new ATOM 0 HG22 ILE A 18 -30.954 -65.490 -1.188 1.00 2.46 H new ATOM 0 HG23 ILE A 18 -29.407 -65.410 -2.065 1.00 2.46 H new ATOM 0 HD11 ILE A 18 -26.461 -65.880 1.168 1.00 2.44 H new ATOM 0 HD12 ILE A 18 -28.099 -65.970 1.858 1.00 2.44 H new ATOM 0 HD13 ILE A 18 -27.758 -66.708 0.275 1.00 2.44 H new ATOM 315 N VAL A 19 -32.136 -62.853 -0.822 1.00 2.23 N ATOM 316 CA VAL A 19 -33.399 -62.562 -1.431 1.00 2.86 C ATOM 317 C VAL A 19 -33.456 -61.247 -2.173 1.00 2.04 C ATOM 318 O VAL A 19 -33.811 -61.250 -3.360 1.00 1.52 O ATOM 319 CB VAL A 19 -34.538 -62.712 -0.406 1.00 2.67 C ATOM 320 CG1 VAL A 19 -35.858 -62.232 -1.101 1.00 2.46 C ATOM 321 CG2 VAL A 19 -34.643 -64.180 0.104 1.00 2.46 C ATOM 0 H VAL A 19 -32.200 -62.946 0.192 1.00 2.23 H new ATOM 0 HA VAL A 19 -33.536 -63.307 -2.215 1.00 2.86 H new ATOM 0 HB VAL A 19 -34.346 -62.103 0.477 1.00 2.67 H new ATOM 0 HG11 VAL A 19 -36.691 -62.324 -0.403 1.00 2.46 H new ATOM 0 HG12 VAL A 19 -35.752 -61.190 -1.404 1.00 2.46 H new ATOM 0 HG13 VAL A 19 -36.051 -62.848 -1.980 1.00 2.46 H new ATOM 0 HG21 VAL A 19 -35.455 -64.257 0.827 1.00 2.46 H new ATOM 0 HG22 VAL A 19 -34.841 -64.844 -0.737 1.00 2.46 H new ATOM 0 HG23 VAL A 19 -33.706 -64.468 0.580 1.00 2.46 H new ATOM 331 N VAL A 20 -32.976 -60.158 -1.496 1.00 2.23 N ATOM 332 CA VAL A 20 -32.709 -58.888 -2.132 1.00 2.86 C ATOM 333 C VAL A 20 -31.723 -58.866 -3.239 1.00 2.04 C ATOM 334 O VAL A 20 -32.015 -58.270 -4.307 1.00 1.52 O ATOM 335 CB VAL A 20 -32.417 -57.711 -1.151 1.00 2.67 C ATOM 336 CG1 VAL A 20 -31.794 -56.493 -1.810 1.00 2.46 C ATOM 337 CG2 VAL A 20 -33.710 -57.386 -0.485 1.00 2.46 C ATOM 0 H VAL A 20 -32.773 -60.167 -0.496 1.00 2.23 H new ATOM 0 HA VAL A 20 -33.680 -58.729 -2.601 1.00 2.86 H new ATOM 0 HB VAL A 20 -31.662 -58.022 -0.429 1.00 2.67 H new ATOM 0 HG11 VAL A 20 -31.623 -55.721 -1.060 1.00 2.46 H new ATOM 0 HG12 VAL A 20 -30.844 -56.772 -2.267 1.00 2.46 H new ATOM 0 HG13 VAL A 20 -32.467 -56.110 -2.577 1.00 2.46 H new ATOM 0 HG21 VAL A 20 -33.562 -56.564 0.216 1.00 2.46 H new ATOM 0 HG22 VAL A 20 -34.443 -57.094 -1.237 1.00 2.46 H new ATOM 0 HG23 VAL A 20 -34.072 -58.262 0.054 1.00 2.46 H new ATOM 347 N ASN A 21 -30.507 -59.409 -3.150 1.00 2.23 N ATOM 348 CA ASN A 21 -29.584 -59.495 -4.319 1.00 2.86 C ATOM 349 C ASN A 21 -30.065 -60.442 -5.414 1.00 2.04 C ATOM 350 O ASN A 21 -29.885 -60.084 -6.551 1.00 1.52 O ATOM 351 CB ASN A 21 -28.161 -59.659 -3.851 1.00 2.67 C ATOM 352 CG ASN A 21 -27.547 -58.464 -3.155 1.00 1.98 C ATOM 353 OD1 ASN A 21 -27.032 -57.568 -3.825 1.00 1.42 O ATOM 354 ND2 ASN A 21 -27.686 -58.299 -1.811 1.00 2.15 N ATOM 0 H ASN A 21 -30.125 -59.799 -2.289 1.00 2.23 H new ATOM 0 HA ASN A 21 -29.599 -58.544 -4.852 1.00 2.86 H new ATOM 0 HB2 ASN A 21 -28.119 -60.510 -3.172 1.00 2.67 H new ATOM 0 HB3 ASN A 21 -27.543 -59.909 -4.713 1.00 2.67 H new ATOM 0 HD21 ASN A 21 -27.365 -57.439 -1.367 1.00 2.15 H new ATOM 0 HD22 ASN A 21 -28.111 -59.036 -1.248 1.00 2.15 H new ATOM 361 N MET A 22 -30.794 -61.541 -5.101 1.00 2.23 N ATOM 362 CA MET A 22 -31.525 -62.328 -6.125 1.00 2.86 C ATOM 363 C MET A 22 -32.575 -61.577 -6.918 1.00 2.04 C ATOM 364 O MET A 22 -32.601 -61.634 -8.099 1.00 1.52 O ATOM 365 CB MET A 22 -32.156 -63.658 -5.505 1.00 2.67 C ATOM 366 CG MET A 22 -31.076 -64.716 -5.189 1.00 2.46 C ATOM 367 SD MET A 22 -31.445 -66.225 -4.273 1.00 2.00 S ATOM 368 CE MET A 22 -32.673 -66.941 -5.419 1.00 2.10 C ATOM 0 H MET A 22 -30.891 -61.902 -4.152 1.00 2.23 H new ATOM 0 HA MET A 22 -30.749 -62.580 -6.848 1.00 2.86 H new ATOM 0 HB2 MET A 22 -32.700 -63.411 -4.593 1.00 2.67 H new ATOM 0 HB3 MET A 22 -32.880 -64.076 -6.204 1.00 2.67 H new ATOM 0 HG2 MET A 22 -30.652 -65.026 -6.144 1.00 2.46 H new ATOM 0 HG3 MET A 22 -30.286 -64.203 -4.641 1.00 2.46 H new ATOM 0 HE1 MET A 22 -33.028 -67.893 -5.024 1.00 2.10 H new ATOM 0 HE2 MET A 22 -33.514 -66.256 -5.525 1.00 2.10 H new ATOM 0 HE3 MET A 22 -32.211 -67.102 -6.393 1.00 2.10 H new ATOM 378 N TYR A 23 -33.443 -60.805 -6.115 1.00 2.23 N ATOM 379 CA TYR A 23 -34.531 -59.980 -6.640 1.00 2.86 C ATOM 380 C TYR A 23 -33.961 -59.004 -7.642 1.00 2.04 C ATOM 381 O TYR A 23 -34.468 -58.993 -8.765 1.00 1.52 O ATOM 382 CB TYR A 23 -35.204 -59.165 -5.480 1.00 2.67 C ATOM 383 CG TYR A 23 -36.439 -58.346 -6.054 1.00 2.46 C ATOM 384 CD1 TYR A 23 -37.272 -58.965 -7.013 1.00 2.00 C ATOM 385 CD2 TYR A 23 -36.701 -57.036 -5.559 1.00 2.00 C ATOM 386 CE1 TYR A 23 -38.390 -58.207 -7.499 1.00 2.00 C ATOM 387 CE2 TYR A 23 -37.826 -56.337 -6.094 1.00 2.00 C ATOM 388 CZ TYR A 23 -38.720 -56.937 -6.954 1.00 2.00 C ATOM 389 OH TYR A 23 -39.926 -56.287 -7.223 1.00 1.85 O ATOM 0 H TYR A 23 -33.367 -60.771 -5.098 1.00 2.23 H new ATOM 0 HA TYR A 23 -35.274 -60.626 -7.107 1.00 2.86 H new ATOM 0 HB2 TYR A 23 -35.537 -59.841 -4.692 1.00 2.67 H new ATOM 0 HB3 TYR A 23 -34.480 -58.485 -5.032 1.00 2.67 H new ATOM 0 HD1 TYR A 23 -37.076 -59.967 -7.366 1.00 2.00 H new ATOM 0 HD2 TYR A 23 -36.071 -56.587 -4.805 1.00 2.00 H new ATOM 0 HE1 TYR A 23 -38.994 -58.611 -8.297 1.00 2.00 H new ATOM 0 HE2 TYR A 23 -37.981 -55.305 -5.816 1.00 2.00 H new ATOM 0 HH TYR A 23 -39.949 -55.430 -6.748 1.00 1.85 H new ATOM 399 N ILE A 24 -32.912 -58.252 -7.216 1.00 2.23 N ATOM 400 CA ILE A 24 -32.427 -57.266 -8.173 1.00 2.86 C ATOM 401 C ILE A 24 -31.826 -57.988 -9.528 1.00 2.04 C ATOM 402 O ILE A 24 -32.027 -57.462 -10.619 1.00 1.52 O ATOM 403 CB ILE A 24 -31.490 -56.144 -7.668 1.00 2.67 C ATOM 404 CG1 ILE A 24 -30.168 -56.650 -7.175 1.00 2.46 C ATOM 405 CG2 ILE A 24 -32.223 -55.331 -6.616 1.00 2.46 C ATOM 406 CD1 ILE A 24 -29.153 -55.511 -7.007 1.00 2.44 C ATOM 0 H ILE A 24 -32.439 -58.306 -6.314 1.00 2.23 H new ATOM 0 HA ILE A 24 -33.336 -56.711 -8.403 1.00 2.86 H new ATOM 0 HB ILE A 24 -31.239 -55.503 -8.513 1.00 2.67 H new ATOM 0 HG12 ILE A 24 -30.306 -57.159 -6.221 1.00 2.46 H new ATOM 0 HG13 ILE A 24 -29.776 -57.387 -7.876 1.00 2.46 H new ATOM 0 HG21 ILE A 24 -31.572 -54.536 -6.252 1.00 2.46 H new ATOM 0 HG22 ILE A 24 -33.120 -54.893 -7.054 1.00 2.46 H new ATOM 0 HG23 ILE A 24 -32.504 -55.979 -5.786 1.00 2.46 H new ATOM 0 HD11 ILE A 24 -28.207 -55.917 -6.648 1.00 2.44 H new ATOM 0 HD12 ILE A 24 -28.996 -55.019 -7.967 1.00 2.44 H new ATOM 0 HD13 ILE A 24 -29.534 -54.787 -6.286 1.00 2.44 H new ATOM 418 N ALA A 25 -31.301 -59.238 -9.472 1.00 2.23 N ATOM 419 CA ALA A 25 -30.876 -59.917 -10.727 1.00 2.86 C ATOM 420 C ALA A 25 -31.998 -60.347 -11.664 1.00 2.04 C ATOM 421 O ALA A 25 -31.965 -60.137 -12.850 1.00 1.52 O ATOM 422 CB ALA A 25 -29.984 -61.051 -10.366 1.00 2.67 C ATOM 0 H ALA A 25 -31.165 -59.777 -8.617 1.00 2.23 H new ATOM 0 HA ALA A 25 -30.343 -59.174 -11.321 1.00 2.86 H new ATOM 0 HB1 ALA A 25 -29.661 -61.563 -11.273 1.00 2.67 H new ATOM 0 HB2 ALA A 25 -29.112 -60.673 -9.833 1.00 2.67 H new ATOM 0 HB3 ALA A 25 -30.524 -61.750 -9.728 1.00 2.67 H new ATOM 428 N ILE A 26 -33.042 -60.964 -11.108 1.00 2.23 N ATOM 429 CA ILE A 26 -34.235 -61.377 -11.868 1.00 2.86 C ATOM 430 C ILE A 26 -35.121 -60.359 -12.564 1.00 2.04 C ATOM 431 O ILE A 26 -35.569 -60.553 -13.702 1.00 1.52 O ATOM 432 CB ILE A 26 -35.010 -62.496 -11.214 1.00 2.67 C ATOM 433 CG1 ILE A 26 -35.724 -62.155 -9.889 1.00 2.46 C ATOM 434 CG2 ILE A 26 -34.165 -63.700 -10.998 1.00 2.46 C ATOM 435 CD1 ILE A 26 -37.079 -62.908 -9.641 1.00 2.44 C ATOM 0 H ILE A 26 -33.089 -61.194 -10.115 1.00 2.23 H new ATOM 0 HA ILE A 26 -33.718 -61.754 -12.751 1.00 2.86 H new ATOM 0 HB ILE A 26 -35.799 -62.690 -11.941 1.00 2.67 H new ATOM 0 HG12 ILE A 26 -35.048 -62.378 -9.064 1.00 2.46 H new ATOM 0 HG13 ILE A 26 -35.914 -61.082 -9.864 1.00 2.46 H new ATOM 0 HG21 ILE A 26 -34.760 -64.482 -10.526 1.00 2.46 H new ATOM 0 HG22 ILE A 26 -33.790 -64.058 -11.957 1.00 2.46 H new ATOM 0 HG23 ILE A 26 -33.325 -63.444 -10.353 1.00 2.46 H new ATOM 0 HD11 ILE A 26 -37.498 -62.597 -8.684 1.00 2.44 H new ATOM 0 HD12 ILE A 26 -37.781 -62.667 -10.440 1.00 2.44 H new ATOM 0 HD13 ILE A 26 -36.900 -63.983 -9.627 1.00 2.44 H new ATOM 447 N ILE A 27 -35.370 -59.186 -11.979 1.00 2.23 N ATOM 448 CA ILE A 27 -36.003 -58.067 -12.677 1.00 2.86 C ATOM 449 C ILE A 27 -35.127 -57.479 -13.697 1.00 2.04 C ATOM 450 O ILE A 27 -35.578 -57.032 -14.757 1.00 1.52 O ATOM 451 CB ILE A 27 -36.515 -57.082 -11.574 1.00 2.67 C ATOM 452 CG1 ILE A 27 -37.636 -56.280 -12.067 1.00 2.46 C ATOM 453 CG2 ILE A 27 -35.364 -56.205 -10.884 1.00 2.46 C ATOM 454 CD1 ILE A 27 -38.929 -57.114 -12.646 1.00 2.44 C ATOM 0 H ILE A 27 -35.138 -58.985 -11.006 1.00 2.23 H new ATOM 0 HA ILE A 27 -36.859 -58.390 -13.270 1.00 2.86 H new ATOM 0 HB ILE A 27 -36.887 -57.703 -10.759 1.00 2.67 H new ATOM 0 HG12 ILE A 27 -37.979 -55.637 -11.257 1.00 2.46 H new ATOM 0 HG13 ILE A 27 -37.268 -55.627 -12.858 1.00 2.46 H new ATOM 0 HG21 ILE A 27 -35.806 -55.551 -10.133 1.00 2.46 H new ATOM 0 HG22 ILE A 27 -34.639 -56.866 -10.408 1.00 2.46 H new ATOM 0 HG23 ILE A 27 -34.863 -55.602 -11.641 1.00 2.46 H new ATOM 0 HD11 ILE A 27 -39.694 -56.413 -12.981 1.00 2.44 H new ATOM 0 HD12 ILE A 27 -38.615 -57.737 -13.484 1.00 2.44 H new ATOM 0 HD13 ILE A 27 -39.337 -57.746 -11.857 1.00 2.44 H new ATOM 466 N LEU A 28 -33.770 -57.668 -13.584 1.00 2.23 N ATOM 467 CA LEU A 28 -32.881 -57.232 -14.669 1.00 2.86 C ATOM 468 C LEU A 28 -33.037 -58.131 -15.867 1.00 2.04 C ATOM 469 O LEU A 28 -32.885 -57.617 -16.970 1.00 1.52 O ATOM 470 CB LEU A 28 -31.389 -57.181 -14.257 1.00 2.67 C ATOM 471 CG LEU A 28 -30.451 -56.349 -15.196 1.00 2.46 C ATOM 472 CD1 LEU A 28 -30.666 -54.878 -14.995 1.00 2.44 C ATOM 473 CD2 LEU A 28 -29.004 -56.639 -14.709 1.00 2.44 C ATOM 0 H LEU A 28 -33.305 -58.100 -12.786 1.00 2.23 H new ATOM 0 HA LEU A 28 -33.182 -56.214 -14.916 1.00 2.86 H new ATOM 0 HB2 LEU A 28 -31.323 -56.768 -13.250 1.00 2.67 H new ATOM 0 HB3 LEU A 28 -31.010 -58.202 -14.208 1.00 2.67 H new ATOM 0 HG LEU A 28 -30.639 -56.610 -16.237 1.00 2.46 H new ATOM 0 HD11 LEU A 28 -30.004 -54.320 -15.657 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -31.702 -54.627 -15.222 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -30.448 -54.617 -13.960 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -28.295 -56.086 -15.325 1.00 2.44 H new ATOM 0 HD22 LEU A 28 -28.901 -56.328 -13.669 1.00 2.44 H new ATOM 0 HD23 LEU A 28 -28.800 -57.707 -14.790 1.00 2.44 H new ATOM 485 N GLU A 29 -33.124 -59.474 -15.609 1.00 2.23 N ATOM 486 CA GLU A 29 -33.462 -60.503 -16.561 1.00 2.86 C ATOM 487 C GLU A 29 -34.740 -60.302 -17.295 1.00 2.04 C ATOM 488 O GLU A 29 -34.717 -60.375 -18.529 1.00 1.52 O ATOM 489 CB GLU A 29 -33.333 -61.954 -15.995 1.00 2.67 C ATOM 490 CG GLU A 29 -32.479 -63.061 -16.832 1.00 2.77 C ATOM 491 CD GLU A 29 -33.067 -63.190 -18.242 1.00 1.98 C ATOM 492 OE1 GLU A 29 -34.213 -63.688 -18.372 1.00 1.40 O ATOM 493 OE2 GLU A 29 -32.430 -62.755 -19.244 1.00 1.40 O1- ATOM 0 H GLU A 29 -32.946 -59.852 -14.679 1.00 2.23 H new ATOM 0 HA GLU A 29 -32.686 -60.389 -17.318 1.00 2.86 H new ATOM 0 HB2 GLU A 29 -32.890 -61.880 -15.002 1.00 2.67 H new ATOM 0 HB3 GLU A 29 -34.342 -62.347 -15.866 1.00 2.67 H new ATOM 0 HG2 GLU A 29 -31.432 -62.764 -16.887 1.00 2.77 H new ATOM 0 HG3 GLU A 29 -32.511 -64.024 -16.322 1.00 2.77 H new ATOM 500 N ASN A 30 -35.853 -59.988 -16.624 1.00 2.23 N ATOM 501 CA ASN A 30 -37.075 -59.578 -17.357 1.00 2.86 C ATOM 502 C ASN A 30 -36.922 -58.312 -18.151 1.00 2.04 C ATOM 503 O ASN A 30 -37.436 -58.193 -19.223 1.00 1.52 O ATOM 504 CB ASN A 30 -38.350 -59.561 -16.463 1.00 2.67 C ATOM 505 CG ASN A 30 -38.505 -60.941 -16.071 1.00 1.98 C ATOM 506 OD1 ASN A 30 -38.761 -61.765 -16.939 1.00 1.42 O ATOM 507 ND2 ASN A 30 -38.424 -61.272 -14.735 1.00 2.15 N ATOM 0 H ASN A 30 -35.943 -60.005 -15.608 1.00 2.23 H new ATOM 0 HA ASN A 30 -37.222 -60.367 -18.095 1.00 2.86 H new ATOM 0 HB2 ASN A 30 -38.225 -58.910 -15.598 1.00 2.67 H new ATOM 0 HB3 ASN A 30 -39.220 -59.199 -17.011 1.00 2.67 H new ATOM 0 HD21 ASN A 30 -38.580 -62.235 -14.438 1.00 2.15 H new ATOM 0 HD22 ASN A 30 -38.208 -60.554 -14.044 1.00 2.15 H new ATOM 514 N PHE A 31 -36.141 -57.321 -17.577 1.00 2.23 N ATOM 515 CA PHE A 31 -35.914 -56.103 -18.332 1.00 2.86 C ATOM 516 C PHE A 31 -35.141 -56.240 -19.585 1.00 2.04 C ATOM 517 O PHE A 31 -35.515 -55.631 -20.578 1.00 1.52 O ATOM 518 CB PHE A 31 -35.252 -55.001 -17.440 1.00 2.67 C ATOM 519 CG PHE A 31 -36.089 -54.152 -16.515 1.00 2.46 C ATOM 520 CD1 PHE A 31 -37.302 -53.620 -17.061 1.00 2.00 C ATOM 521 CD2 PHE A 31 -35.786 -53.826 -15.218 1.00 2.00 C ATOM 522 CE1 PHE A 31 -38.084 -52.735 -16.345 1.00 2.00 C ATOM 523 CE2 PHE A 31 -36.530 -52.922 -14.517 1.00 2.00 C ATOM 524 CZ PHE A 31 -37.643 -52.314 -15.094 1.00 2.00 C ATOM 0 H PHE A 31 -35.702 -57.366 -16.657 1.00 2.23 H new ATOM 0 HA PHE A 31 -36.918 -55.813 -18.641 1.00 2.86 H new ATOM 0 HB2 PHE A 31 -34.498 -55.495 -16.827 1.00 2.67 H new ATOM 0 HB3 PHE A 31 -34.724 -54.321 -18.109 1.00 2.67 H new ATOM 0 HD1 PHE A 31 -37.611 -53.917 -18.052 1.00 2.00 H new ATOM 0 HD2 PHE A 31 -34.939 -54.296 -14.740 1.00 2.00 H new ATOM 0 HE1 PHE A 31 -39.020 -52.377 -16.748 1.00 2.00 H new ATOM 0 HE2 PHE A 31 -36.253 -52.675 -13.503 1.00 2.00 H new ATOM 0 HZ PHE A 31 -38.160 -51.521 -14.574 1.00 2.00 H new ATOM 534 N LYS A 32 -34.077 -57.114 -19.625 1.00 2.23 N ATOM 535 CA LYS A 32 -33.324 -57.272 -20.911 1.00 2.86 C ATOM 536 C LYS A 32 -33.953 -58.309 -21.821 1.00 2.04 C ATOM 537 O LYS A 32 -33.640 -58.366 -23.009 1.00 1.52 O ATOM 538 CB LYS A 32 -31.748 -57.581 -20.671 1.00 2.67 C ATOM 539 CG LYS A 32 -31.528 -58.998 -20.038 1.00 2.46 C ATOM 540 CD LYS A 32 -29.988 -59.329 -19.987 1.00 2.44 C ATOM 541 CE LYS A 32 -29.575 -60.608 -19.379 1.00 2.80 C ATOM 542 NZ LYS A 32 -30.022 -61.726 -20.219 1.00 2.13 N1+ ATOM 0 H LYS A 32 -33.744 -57.678 -18.843 1.00 2.23 H new ATOM 0 HA LYS A 32 -33.391 -56.310 -21.419 1.00 2.86 H new ATOM 0 HB2 LYS A 32 -31.216 -57.519 -21.620 1.00 2.67 H new ATOM 0 HB3 LYS A 32 -31.323 -56.820 -20.017 1.00 2.67 H new ATOM 0 HG2 LYS A 32 -31.948 -59.026 -19.033 1.00 2.46 H new ATOM 0 HG3 LYS A 32 -32.052 -59.753 -20.624 1.00 2.46 H new ATOM 0 HD2 LYS A 32 -29.607 -59.306 -21.008 1.00 2.44 H new ATOM 0 HD3 LYS A 32 -29.491 -58.525 -19.444 1.00 2.44 H new ATOM 0 HE2 LYS A 32 -28.491 -60.635 -19.268 1.00 2.80 H new ATOM 0 HE3 LYS A 32 -30.000 -60.700 -18.379 1.00 2.80 H new ATOM 0 HZ1 LYS A 32 -29.260 -62.430 -20.295 1.00 2.13 H new ATOM 0 HZ2 LYS A 32 -30.860 -62.168 -19.791 1.00 2.13 H new ATOM 0 HZ3 LYS A 32 -30.263 -61.373 -21.167 1.00 2.13 H new ATOM 556 N LYS A 33 -34.834 -59.154 -21.335 1.00 2.23 N ATOM 557 CA LYS A 33 -35.592 -59.984 -22.193 1.00 2.86 C ATOM 558 C LYS A 33 -36.549 -59.224 -23.110 1.00 2.04 C ATOM 559 O LYS A 33 -36.564 -59.393 -24.327 1.00 1.52 O ATOM 560 CB LYS A 33 -36.411 -60.934 -21.316 1.00 2.67 C ATOM 561 CG LYS A 33 -37.193 -62.006 -22.004 1.00 2.46 C ATOM 562 CD LYS A 33 -37.925 -62.801 -20.871 1.00 2.44 C ATOM 563 CE LYS A 33 -39.036 -61.978 -20.270 1.00 2.80 C ATOM 564 NZ LYS A 33 -39.951 -62.627 -19.353 1.00 2.13 N1+ ATOM 0 H LYS A 33 -35.031 -59.272 -20.341 1.00 2.23 H new ATOM 0 HA LYS A 33 -34.890 -60.505 -22.844 1.00 2.86 H new ATOM 0 HB2 LYS A 33 -35.730 -61.413 -20.612 1.00 2.67 H new ATOM 0 HB3 LYS A 33 -37.107 -60.334 -20.729 1.00 2.67 H new ATOM 0 HG2 LYS A 33 -37.909 -61.578 -22.705 1.00 2.46 H new ATOM 0 HG3 LYS A 33 -36.537 -62.660 -22.578 1.00 2.46 H new ATOM 0 HD2 LYS A 33 -38.331 -63.728 -21.276 1.00 2.44 H new ATOM 0 HD3 LYS A 33 -37.211 -63.078 -20.095 1.00 2.44 H new ATOM 0 HE2 LYS A 33 -38.581 -61.137 -19.747 1.00 2.80 H new ATOM 0 HE3 LYS A 33 -39.624 -61.564 -21.089 1.00 2.80 H new ATOM 0 HZ1 LYS A 33 -40.913 -62.265 -19.509 1.00 2.13 H new ATOM 0 HZ2 LYS A 33 -39.937 -63.654 -19.517 1.00 2.13 H new ATOM 0 HZ3 LYS A 33 -39.661 -62.428 -18.374 1.00 2.13 H new ATOM 578 N LYS A 34 -37.351 -58.342 -22.536 1.00 2.23 N ATOM 579 CA LYS A 34 -38.283 -57.397 -23.144 1.00 2.86 C ATOM 580 C LYS A 34 -37.514 -56.369 -24.081 1.00 2.04 C ATOM 581 O LYS A 34 -37.691 -56.254 -25.298 1.00 1.52 O ATOM 582 CB LYS A 34 -39.226 -56.635 -22.249 1.00 2.67 C ATOM 583 CG LYS A 34 -40.150 -57.629 -21.567 1.00 2.46 C ATOM 584 CD LYS A 34 -41.160 -57.085 -20.568 1.00 2.44 C ATOM 585 CE LYS A 34 -40.488 -56.305 -19.388 1.00 2.80 C ATOM 586 NZ LYS A 34 -41.563 -56.039 -18.359 1.00 2.13 N1+ ATOM 0 H LYS A 34 -37.369 -58.259 -21.520 1.00 2.23 H new ATOM 0 HA LYS A 34 -38.940 -58.065 -23.701 1.00 2.86 H new ATOM 0 HB2 LYS A 34 -38.667 -56.066 -21.506 1.00 2.67 H new ATOM 0 HB3 LYS A 34 -39.804 -55.918 -22.831 1.00 2.67 H new ATOM 0 HG2 LYS A 34 -40.699 -58.163 -22.342 1.00 2.46 H new ATOM 0 HG3 LYS A 34 -39.531 -58.364 -21.052 1.00 2.46 H new ATOM 0 HD2 LYS A 34 -41.855 -56.424 -21.085 1.00 2.44 H new ATOM 0 HD3 LYS A 34 -41.746 -57.911 -20.164 1.00 2.44 H new ATOM 0 HE2 LYS A 34 -39.676 -56.888 -18.954 1.00 2.80 H new ATOM 0 HE3 LYS A 34 -40.055 -55.370 -19.742 1.00 2.80 H new ATOM 0 HZ1 LYS A 34 -41.154 -55.520 -17.556 1.00 2.13 H new ATOM 0 HZ2 LYS A 34 -42.321 -55.471 -18.788 1.00 2.13 H new ATOM 0 HZ3 LYS A 34 -41.954 -56.943 -18.024 1.00 2.13 H new HETATM 600 N NH2 A 35 -36.520 -55.620 -23.559 1.00 2.23 N TER 603 NH2 A 35