USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 336 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 3 GLN : amide:sc= 0 K(o=-2.1,f=-4.5!) USER MOD Set 1.2: A 28 MET CE :methyl 169:sc= -2.11 (180deg=-2.63) USER MOD Single : A 1 TYR N :NH3+ 136:sc= 0.487 (180deg=-0.433) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0991) USER MOD Single : A 10 HIS : no HE2:sc= 0.336 K(o=0.34,f=-1.8) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 1:sc= 0.27 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= 0.574 (180deg=-1.38!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= 1.93 (180deg=1.19) USER MOD Single : A 41 SER OG : rot 57:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 28.210 -46.510 11.164 1.00 0.00 N ATOM 2 CA TYR A 1 28.283 -46.426 9.693 1.00 0.00 C ATOM 3 C TYR A 1 29.533 -45.669 9.237 1.00 0.00 C ATOM 4 O TYR A 1 30.264 -46.136 8.365 1.00 0.00 O ATOM 5 CB TYR A 1 27.013 -45.756 9.149 1.00 0.00 C ATOM 6 CG TYR A 1 27.016 -45.687 7.630 1.00 0.00 C ATOM 7 CD1 TYR A 1 26.788 -46.798 6.896 1.00 0.00 C ATOM 8 CD2 TYR A 1 27.265 -44.512 7.005 1.00 0.00 C ATOM 9 CE1 TYR A 1 26.813 -46.739 5.547 1.00 0.00 C ATOM 10 CE2 TYR A 1 27.290 -44.453 5.656 1.00 0.00 C ATOM 11 CZ TYR A 1 27.065 -45.564 4.927 1.00 0.00 C ATOM 12 OH TYR A 1 27.096 -45.509 3.559 1.00 0.00 O ATOM 0 H1 TYR A 1 27.240 -46.304 11.476 1.00 0.00 H new ATOM 0 H2 TYR A 1 28.476 -47.467 11.471 1.00 0.00 H new ATOM 0 H3 TYR A 1 28.863 -45.818 11.584 1.00 0.00 H new ATOM 0 HA TYR A 1 28.353 -47.438 9.294 1.00 0.00 H new ATOM 0 HB2 TYR A 1 26.137 -46.310 9.486 1.00 0.00 H new ATOM 0 HB3 TYR A 1 26.930 -44.749 9.558 1.00 0.00 H new ATOM 0 HD1 TYR A 1 26.585 -47.737 7.390 1.00 0.00 H new ATOM 0 HD2 TYR A 1 27.444 -43.620 7.587 1.00 0.00 H new ATOM 0 HE1 TYR A 1 26.632 -47.630 4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 1 27.491 -43.514 5.161 1.00 0.00 H new ATOM 0 HH TYR A 1 27.289 -44.592 3.273 1.00 0.00 H new ATOM 24 N LYS A 2 29.768 -44.479 9.776 1.00 0.00 N ATOM 25 CA LYS A 2 30.826 -43.629 9.215 1.00 0.00 C ATOM 26 C LYS A 2 32.239 -44.112 9.561 1.00 0.00 C ATOM 27 O LYS A 2 33.143 -44.030 8.730 1.00 0.00 O ATOM 28 CB LYS A 2 30.590 -42.186 9.674 1.00 0.00 C ATOM 29 CG LYS A 2 31.544 -41.225 8.959 1.00 0.00 C ATOM 30 CD LYS A 2 31.239 -39.756 9.258 1.00 0.00 C ATOM 31 CE LYS A 2 29.925 -39.305 8.617 1.00 0.00 C ATOM 32 NZ LYS A 2 29.747 -37.857 8.818 1.00 0.00 N ATOM 0 H LYS A 2 29.265 -44.086 10.571 1.00 0.00 H new ATOM 0 HA LYS A 2 30.769 -43.686 8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 2 29.558 -41.899 9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 2 30.735 -42.114 10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 2 32.568 -41.447 9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 2 31.483 -41.393 7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 2 31.186 -39.608 10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 2 32.055 -39.134 8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 2 29.930 -39.536 7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 2 29.089 -39.849 9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 28.853 -37.553 8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 29.723 -37.648 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 30.539 -37.346 8.378 1.00 0.00 H new ATOM 46 N GLN A 3 32.462 -44.607 10.772 1.00 0.00 N ATOM 47 CA GLN A 3 33.810 -45.074 11.122 1.00 0.00 C ATOM 48 C GLN A 3 34.099 -46.457 10.524 1.00 0.00 C ATOM 49 O GLN A 3 35.158 -46.691 9.941 1.00 0.00 O ATOM 50 CB GLN A 3 33.951 -45.098 12.647 1.00 0.00 C ATOM 51 CG GLN A 3 35.415 -45.262 13.061 1.00 0.00 C ATOM 52 CD GLN A 3 35.576 -45.286 14.575 1.00 0.00 C ATOM 53 OE1 GLN A 3 35.287 -46.276 15.244 1.00 0.00 O ATOM 54 NE2 GLN A 3 36.055 -44.191 15.132 1.00 0.00 N ATOM 0 H GLN A 3 31.761 -44.697 11.508 1.00 0.00 H new ATOM 0 HA GLN A 3 34.542 -44.386 10.700 1.00 0.00 H new ATOM 0 HB2 GLN A 3 33.552 -44.175 13.067 1.00 0.00 H new ATOM 0 HB3 GLN A 3 33.360 -45.916 13.057 1.00 0.00 H new ATOM 0 HG2 GLN A 3 35.811 -46.186 12.639 1.00 0.00 H new ATOM 0 HG3 GLN A 3 36.004 -44.444 12.646 1.00 0.00 H new ATOM 0 HE21 GLN A 3 36.287 -43.384 14.553 1.00 0.00 H new ATOM 0 HE22 GLN A 3 36.194 -44.151 16.142 1.00 0.00 H new ATOM 63 N CYS A 4 33.166 -47.387 10.687 1.00 0.00 N ATOM 64 CA CYS A 4 33.418 -48.773 10.268 1.00 0.00 C ATOM 65 C CYS A 4 33.439 -48.948 8.745 1.00 0.00 C ATOM 66 O CYS A 4 34.221 -49.737 8.214 1.00 0.00 O ATOM 67 CB CYS A 4 32.329 -49.644 10.900 1.00 0.00 C ATOM 68 SG CYS A 4 32.567 -51.394 10.519 1.00 0.00 S ATOM 0 H CYS A 4 32.247 -47.220 11.096 1.00 0.00 H new ATOM 0 HA CYS A 4 34.411 -49.070 10.606 1.00 0.00 H new ATOM 0 HB2 CYS A 4 32.332 -49.503 11.981 1.00 0.00 H new ATOM 0 HB3 CYS A 4 31.352 -49.323 10.540 1.00 0.00 H new ATOM 73 N HIS A 5 32.587 -48.229 8.024 1.00 0.00 N ATOM 74 CA HIS A 5 32.552 -48.390 6.564 1.00 0.00 C ATOM 75 C HIS A 5 33.732 -47.678 5.888 1.00 0.00 C ATOM 76 O HIS A 5 34.353 -48.222 4.977 1.00 0.00 O ATOM 77 CB HIS A 5 31.206 -47.872 6.048 1.00 0.00 C ATOM 78 CG HIS A 5 30.951 -48.265 4.609 1.00 0.00 C ATOM 79 ND1 HIS A 5 31.433 -47.577 3.511 1.00 0.00 N ATOM 80 CD2 HIS A 5 30.137 -49.332 4.202 1.00 0.00 C ATOM 81 CE1 HIS A 5 30.849 -48.302 2.505 1.00 0.00 C ATOM 82 NE2 HIS A 5 30.065 -49.380 2.820 1.00 0.00 N ATOM 0 H HIS A 5 31.929 -47.549 8.404 1.00 0.00 H new ATOM 0 HA HIS A 5 32.652 -49.446 6.313 1.00 0.00 H new ATOM 0 HB2 HIS A 5 30.405 -48.262 6.676 1.00 0.00 H new ATOM 0 HB3 HIS A 5 31.180 -46.786 6.135 1.00 0.00 H new ATOM 0 HD2 HIS A 5 29.638 -50.018 4.871 1.00 0.00 H new ATOM 0 HE1 HIS A 5 31.006 -48.026 1.473 1.00 0.00 H new ATOM 0 HE2 HIS A 5 29.570 -50.032 2.211 1.00 0.00 H new ATOM 91 N LYS A 6 34.052 -46.463 6.323 1.00 0.00 N ATOM 92 CA LYS A 6 35.178 -45.736 5.716 1.00 0.00 C ATOM 93 C LYS A 6 36.517 -46.452 5.924 1.00 0.00 C ATOM 94 O LYS A 6 37.334 -46.540 5.007 1.00 0.00 O ATOM 95 CB LYS A 6 35.237 -44.324 6.309 1.00 0.00 C ATOM 96 CG LYS A 6 36.307 -43.472 5.618 1.00 0.00 C ATOM 97 CD LYS A 6 36.425 -42.078 6.238 1.00 0.00 C ATOM 98 CE LYS A 6 36.980 -42.151 7.661 1.00 0.00 C ATOM 99 NZ LYS A 6 37.313 -40.800 8.143 1.00 0.00 N ATOM 0 H LYS A 6 33.568 -45.967 7.071 1.00 0.00 H new ATOM 0 HA LYS A 6 35.009 -45.690 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 6 34.264 -43.843 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 6 35.451 -44.384 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 6 37.270 -43.979 5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 6 36.066 -43.378 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 6 37.076 -41.457 5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 6 35.446 -41.599 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 6 36.246 -42.611 8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 6 37.868 -42.782 7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 37.689 -40.860 9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 38.028 -40.375 7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 36.457 -40.210 8.140 1.00 0.00 H new ATOM 113 N LYS A 7 36.768 -46.955 7.126 1.00 0.00 N ATOM 114 CA LYS A 7 38.050 -47.625 7.383 1.00 0.00 C ATOM 115 C LYS A 7 38.175 -48.952 6.627 1.00 0.00 C ATOM 116 O LYS A 7 39.268 -49.340 6.215 1.00 0.00 O ATOM 117 CB LYS A 7 38.200 -47.854 8.886 1.00 0.00 C ATOM 118 CG LYS A 7 38.400 -46.525 9.618 1.00 0.00 C ATOM 119 CD LYS A 7 38.521 -46.716 11.130 1.00 0.00 C ATOM 120 CE LYS A 7 39.645 -47.678 11.524 1.00 0.00 C ATOM 121 NZ LYS A 7 40.945 -47.189 11.033 1.00 0.00 N ATOM 0 H LYS A 7 36.128 -46.918 7.920 1.00 0.00 H new ATOM 0 HA LYS A 7 38.849 -46.979 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 7 37.314 -48.358 9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.049 -48.511 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 7 39.298 -46.035 9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 7 37.562 -45.863 9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 7 38.697 -45.748 11.600 1.00 0.00 H new ATOM 0 HD3 LYS A 7 37.575 -47.092 11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 7 39.677 -47.784 12.608 1.00 0.00 H new ATOM 0 HE3 LYS A 7 39.444 -48.667 11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 41.709 -47.768 11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 40.971 -47.255 9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 41.074 -46.198 11.320 1.00 0.00 H new ATOM 135 N GLY A 8 37.068 -49.660 6.448 1.00 0.00 N ATOM 136 CA GLY A 8 37.121 -50.937 5.732 1.00 0.00 C ATOM 137 C GLY A 8 36.600 -52.042 6.637 1.00 0.00 C ATOM 138 O GLY A 8 37.337 -52.627 7.431 1.00 0.00 O ATOM 0 H GLY A 8 36.142 -49.385 6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 8 36.522 -50.883 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.145 -51.154 5.426 1.00 0.00 H new ATOM 142 N GLY A 9 35.312 -52.321 6.531 1.00 0.00 N ATOM 143 CA GLY A 9 34.720 -53.312 7.428 1.00 0.00 C ATOM 144 C GLY A 9 33.198 -53.254 7.404 1.00 0.00 C ATOM 145 O GLY A 9 32.581 -52.345 6.847 1.00 0.00 O ATOM 0 H GLY A 9 34.672 -51.896 5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 9 35.051 -54.309 7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 9 35.075 -53.141 8.444 1.00 0.00 H new ATOM 149 N HIS A 10 32.588 -54.240 8.041 1.00 0.00 N ATOM 150 CA HIS A 10 31.127 -54.252 8.152 1.00 0.00 C ATOM 151 C HIS A 10 30.766 -54.712 9.565 1.00 0.00 C ATOM 152 O HIS A 10 31.432 -55.565 10.152 1.00 0.00 O ATOM 153 CB HIS A 10 30.567 -55.198 7.083 1.00 0.00 C ATOM 154 CG HIS A 10 29.055 -55.145 6.975 1.00 0.00 C ATOM 155 ND1 HIS A 10 28.180 -55.719 7.881 1.00 0.00 N ATOM 156 CD2 HIS A 10 28.343 -54.571 5.909 1.00 0.00 C ATOM 157 CE1 HIS A 10 26.986 -55.433 7.276 1.00 0.00 C ATOM 158 NE2 HIS A 10 26.980 -54.744 6.092 1.00 0.00 N ATOM 0 H HIS A 10 33.062 -55.028 8.482 1.00 0.00 H new ATOM 0 HA HIS A 10 30.697 -53.264 7.988 1.00 0.00 H new ATOM 0 HB2 HIS A 10 31.003 -54.944 6.117 1.00 0.00 H new ATOM 0 HB3 HIS A 10 30.873 -56.218 7.313 1.00 0.00 H new ATOM 0 HD1 HIS A 10 28.371 -56.214 8.752 1.00 0.00 H new ATOM 0 HD2 HIS A 10 28.793 -54.067 5.067 1.00 0.00 H new ATOM 0 HE1 HIS A 10 26.057 -55.748 7.728 1.00 0.00 H new ATOM 167 N CYS A 11 29.707 -54.147 10.124 1.00 0.00 N ATOM 168 CA CYS A 11 29.307 -54.544 11.479 1.00 0.00 C ATOM 169 C CYS A 11 28.533 -55.862 11.457 1.00 0.00 C ATOM 170 O CYS A 11 27.604 -56.058 10.674 1.00 0.00 O ATOM 171 CB CYS A 11 28.424 -53.455 12.091 1.00 0.00 C ATOM 172 SG CYS A 11 29.418 -52.030 12.563 1.00 0.00 S ATOM 0 H CYS A 11 29.122 -53.436 9.685 1.00 0.00 H new ATOM 0 HA CYS A 11 30.209 -54.678 12.077 1.00 0.00 H new ATOM 0 HB2 CYS A 11 27.660 -53.152 11.375 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.904 -53.848 12.964 1.00 0.00 H new ATOM 177 N PHE A 12 28.911 -56.765 12.350 1.00 0.00 N ATOM 178 CA PHE A 12 28.183 -58.033 12.478 1.00 0.00 C ATOM 179 C PHE A 12 28.070 -58.382 13.965 1.00 0.00 C ATOM 180 O PHE A 12 28.904 -57.956 14.765 1.00 0.00 O ATOM 181 CB PHE A 12 28.970 -59.165 11.806 1.00 0.00 C ATOM 182 CG PHE A 12 29.149 -58.995 10.311 1.00 0.00 C ATOM 183 CD1 PHE A 12 28.105 -59.166 9.471 1.00 0.00 C ATOM 184 CD2 PHE A 12 30.376 -58.724 9.814 1.00 0.00 C ATOM 185 CE1 PHE A 12 28.288 -59.058 8.138 1.00 0.00 C ATOM 186 CE2 PHE A 12 30.559 -58.620 8.481 1.00 0.00 C ATOM 187 CZ PHE A 12 29.513 -58.784 7.642 1.00 0.00 C ATOM 0 H PHE A 12 29.700 -56.654 12.987 1.00 0.00 H new ATOM 0 HA PHE A 12 27.204 -57.926 12.012 1.00 0.00 H new ATOM 0 HB2 PHE A 12 29.953 -59.236 12.272 1.00 0.00 H new ATOM 0 HB3 PHE A 12 28.459 -60.109 11.994 1.00 0.00 H new ATOM 0 HD1 PHE A 12 27.125 -59.389 9.866 1.00 0.00 H new ATOM 0 HD2 PHE A 12 31.212 -58.590 10.485 1.00 0.00 H new ATOM 0 HE1 PHE A 12 27.452 -59.191 7.467 1.00 0.00 H new ATOM 0 HE2 PHE A 12 31.541 -58.406 8.085 1.00 0.00 H new ATOM 0 HZ PHE A 12 29.657 -58.696 6.575 1.00 0.00 H new ATOM 197 N PRO A 13 27.098 -59.198 14.377 1.00 0.00 N ATOM 198 CA PRO A 13 27.085 -59.749 15.734 1.00 0.00 C ATOM 199 C PRO A 13 28.431 -60.398 16.063 1.00 0.00 C ATOM 200 O PRO A 13 29.073 -61.001 15.202 1.00 0.00 O ATOM 201 CB PRO A 13 25.970 -60.793 15.641 1.00 0.00 C ATOM 202 CG PRO A 13 25.070 -60.302 14.508 1.00 0.00 C ATOM 203 CD PRO A 13 26.040 -59.691 13.497 1.00 0.00 C ATOM 0 HA PRO A 13 26.923 -59.008 16.517 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.372 -61.783 15.426 1.00 0.00 H new ATOM 0 HB3 PRO A 13 25.420 -60.869 16.579 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.500 -61.121 14.069 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.349 -59.566 14.863 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.409 -60.428 12.784 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.580 -58.890 12.918 1.00 0.00 H new ATOM 211 N LYS A 14 28.890 -60.262 17.296 1.00 0.00 N ATOM 212 CA LYS A 14 30.251 -60.717 17.603 1.00 0.00 C ATOM 213 C LYS A 14 30.401 -62.243 17.676 1.00 0.00 C ATOM 214 O LYS A 14 31.515 -62.764 17.676 1.00 0.00 O ATOM 215 CB LYS A 14 30.701 -60.058 18.908 1.00 0.00 C ATOM 216 CG LYS A 14 29.983 -60.623 20.136 1.00 0.00 C ATOM 217 CD LYS A 14 30.437 -59.862 21.379 1.00 0.00 C ATOM 218 CE LYS A 14 29.718 -60.353 22.633 1.00 0.00 C ATOM 219 NZ LYS A 14 30.171 -59.558 23.788 1.00 0.00 N ATOM 0 H LYS A 14 28.372 -59.859 18.077 1.00 0.00 H new ATOM 0 HA LYS A 14 30.892 -60.414 16.775 1.00 0.00 H new ATOM 0 HB2 LYS A 14 31.776 -60.194 19.027 1.00 0.00 H new ATOM 0 HB3 LYS A 14 30.520 -58.985 18.849 1.00 0.00 H new ATOM 0 HG2 LYS A 14 28.904 -60.533 20.014 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.204 -61.685 20.244 1.00 0.00 H new ATOM 0 HD2 LYS A 14 31.513 -59.981 21.506 1.00 0.00 H new ATOM 0 HD3 LYS A 14 30.247 -58.797 21.244 1.00 0.00 H new ATOM 0 HE2 LYS A 14 28.639 -60.258 22.510 1.00 0.00 H new ATOM 0 HE3 LYS A 14 29.928 -61.410 22.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 29.686 -59.886 24.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 31.198 -59.671 23.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 29.949 -58.555 23.627 1.00 0.00 H new ATOM 233 N GLU A 15 29.291 -62.964 17.753 1.00 0.00 N ATOM 234 CA GLU A 15 29.364 -64.424 17.889 1.00 0.00 C ATOM 235 C GLU A 15 29.314 -65.157 16.543 1.00 0.00 C ATOM 236 O GLU A 15 29.695 -66.323 16.447 1.00 0.00 O ATOM 237 CB GLU A 15 28.202 -64.866 18.788 1.00 0.00 C ATOM 238 CG GLU A 15 26.822 -64.640 18.157 1.00 0.00 C ATOM 239 CD GLU A 15 25.712 -64.770 19.189 1.00 0.00 C ATOM 240 OE1 GLU A 15 25.728 -64.022 20.192 1.00 0.00 O ATOM 241 OE2 GLU A 15 24.810 -65.613 18.996 1.00 0.00 O ATOM 0 H GLU A 15 28.347 -62.579 17.725 1.00 0.00 H new ATOM 0 HA GLU A 15 30.326 -64.686 18.329 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.317 -65.924 19.023 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.255 -64.322 19.731 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.785 -63.649 17.704 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.663 -65.363 17.357 1.00 0.00 H new ATOM 248 N LYS A 16 28.808 -64.502 15.505 1.00 0.00 N ATOM 249 CA LYS A 16 28.524 -65.220 14.257 1.00 0.00 C ATOM 250 C LYS A 16 29.740 -65.200 13.318 1.00 0.00 C ATOM 251 O LYS A 16 30.708 -65.924 13.552 1.00 0.00 O ATOM 252 CB LYS A 16 27.249 -64.636 13.634 1.00 0.00 C ATOM 253 CG LYS A 16 26.027 -64.766 14.553 1.00 0.00 C ATOM 254 CD LYS A 16 25.669 -66.221 14.862 1.00 0.00 C ATOM 255 CE LYS A 16 24.327 -66.291 15.590 1.00 0.00 C ATOM 256 NZ LYS A 16 24.016 -67.689 15.931 1.00 0.00 N ATOM 0 H LYS A 16 28.589 -63.506 15.494 1.00 0.00 H new ATOM 0 HA LYS A 16 28.340 -66.276 14.456 1.00 0.00 H new ATOM 0 HB2 LYS A 16 27.413 -63.584 13.401 1.00 0.00 H new ATOM 0 HB3 LYS A 16 27.045 -65.144 12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.223 -64.239 15.487 1.00 0.00 H new ATOM 0 HG3 LYS A 16 25.172 -64.278 14.084 1.00 0.00 H new ATOM 0 HD2 LYS A 16 25.620 -66.795 13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 16 26.448 -66.672 15.476 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.362 -65.686 16.496 1.00 0.00 H new ATOM 0 HE3 LYS A 16 23.539 -65.877 14.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.102 -67.731 16.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.964 -68.255 15.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.762 -68.070 16.548 1.00 0.00 H new ATOM 270 N ILE A 17 29.711 -64.420 12.240 1.00 0.00 N ATOM 271 CA ILE A 17 30.806 -64.497 11.262 1.00 0.00 C ATOM 272 C ILE A 17 31.578 -63.184 11.190 1.00 0.00 C ATOM 273 O ILE A 17 31.026 -62.094 11.034 1.00 0.00 O ATOM 274 CB ILE A 17 30.275 -64.832 9.858 1.00 0.00 C ATOM 275 CG1 ILE A 17 29.534 -66.174 9.876 1.00 0.00 C ATOM 276 CG2 ILE A 17 31.439 -64.877 8.851 1.00 0.00 C ATOM 277 CD1 ILE A 17 28.795 -66.434 8.563 1.00 0.00 C ATOM 0 H ILE A 17 28.974 -63.750 12.021 1.00 0.00 H new ATOM 0 HA ILE A 17 31.472 -65.291 11.599 1.00 0.00 H new ATOM 0 HB ILE A 17 29.575 -64.054 9.552 1.00 0.00 H new ATOM 0 HG12 ILE A 17 30.246 -66.979 10.058 1.00 0.00 H new ATOM 0 HG13 ILE A 17 28.822 -66.185 10.702 1.00 0.00 H new ATOM 0 HG21 ILE A 17 31.053 -65.115 7.860 1.00 0.00 H new ATOM 0 HG22 ILE A 17 31.935 -63.907 8.824 1.00 0.00 H new ATOM 0 HG23 ILE A 17 32.154 -65.641 9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 17 28.283 -67.395 8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 17 28.064 -65.643 8.394 1.00 0.00 H new ATOM 0 HD13 ILE A 17 29.510 -66.450 7.740 1.00 0.00 H new ATOM 289 N CYS A 18 32.890 -63.329 11.235 1.00 0.00 N ATOM 290 CA CYS A 18 33.774 -62.212 10.910 1.00 0.00 C ATOM 291 C CYS A 18 34.804 -62.812 9.963 1.00 0.00 C ATOM 292 O CYS A 18 35.429 -63.825 10.272 1.00 0.00 O ATOM 293 CB CYS A 18 34.416 -61.665 12.184 1.00 0.00 C ATOM 294 SG CYS A 18 35.643 -60.404 11.783 1.00 0.00 S ATOM 0 H CYS A 18 33.367 -64.194 11.489 1.00 0.00 H new ATOM 0 HA CYS A 18 33.256 -61.369 10.453 1.00 0.00 H new ATOM 0 HB2 CYS A 18 33.649 -61.241 12.832 1.00 0.00 H new ATOM 0 HB3 CYS A 18 34.888 -62.477 12.738 1.00 0.00 H new ATOM 299 N LEU A 19 34.937 -62.242 8.776 1.00 0.00 N ATOM 300 CA LEU A 19 35.783 -62.879 7.763 1.00 0.00 C ATOM 301 C LEU A 19 36.924 -61.909 7.425 1.00 0.00 C ATOM 302 O LEU A 19 36.669 -60.806 6.942 1.00 0.00 O ATOM 303 CB LEU A 19 34.885 -63.191 6.556 1.00 0.00 C ATOM 304 CG LEU A 19 35.455 -64.209 5.559 1.00 0.00 C ATOM 305 CD1 LEU A 19 36.752 -63.736 4.903 1.00 0.00 C ATOM 306 CD2 LEU A 19 35.652 -65.569 6.232 1.00 0.00 C ATOM 0 H LEU A 19 34.490 -61.371 8.490 1.00 0.00 H new ATOM 0 HA LEU A 19 36.235 -63.811 8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.928 -63.563 6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.683 -62.261 6.025 1.00 0.00 H new ATOM 0 HG LEU A 19 34.721 -64.311 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 19 37.107 -64.497 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.568 -62.808 4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 19 37.507 -63.565 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 19 36.057 -66.277 5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.346 -65.465 7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.694 -65.935 6.601 1.00 0.00 H new ATOM 318 N PRO A 20 38.187 -62.258 7.678 1.00 0.00 N ATOM 319 CA PRO A 20 38.572 -63.596 8.135 1.00 0.00 C ATOM 320 C PRO A 20 38.252 -63.805 9.621 1.00 0.00 C ATOM 321 O PRO A 20 37.960 -62.852 10.344 1.00 0.00 O ATOM 322 CB PRO A 20 40.073 -63.608 7.838 1.00 0.00 C ATOM 323 CG PRO A 20 40.503 -62.142 7.886 1.00 0.00 C ATOM 324 CD PRO A 20 39.299 -61.369 7.351 1.00 0.00 C ATOM 0 HA PRO A 20 38.034 -64.408 7.647 1.00 0.00 H new ATOM 0 HB2 PRO A 20 40.615 -64.202 8.574 1.00 0.00 H new ATOM 0 HB3 PRO A 20 40.278 -64.047 6.861 1.00 0.00 H new ATOM 0 HG2 PRO A 20 40.752 -61.835 8.902 1.00 0.00 H new ATOM 0 HG3 PRO A 20 41.389 -61.969 7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 20 39.195 -60.395 7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 20 39.375 -61.190 6.278 1.00 0.00 H new ATOM 332 N PRO A 21 38.267 -65.052 10.094 1.00 0.00 N ATOM 333 CA PRO A 21 37.751 -65.392 11.423 1.00 0.00 C ATOM 334 C PRO A 21 38.248 -64.522 12.580 1.00 0.00 C ATOM 335 O PRO A 21 37.464 -63.817 13.216 1.00 0.00 O ATOM 336 CB PRO A 21 38.166 -66.862 11.537 1.00 0.00 C ATOM 337 CG PRO A 21 38.089 -67.373 10.100 1.00 0.00 C ATOM 338 CD PRO A 21 38.597 -66.207 9.257 1.00 0.00 C ATOM 0 HA PRO A 21 36.679 -65.212 11.509 1.00 0.00 H new ATOM 0 HB2 PRO A 21 39.172 -66.964 11.945 1.00 0.00 H new ATOM 0 HB3 PRO A 21 37.498 -67.417 12.196 1.00 0.00 H new ATOM 0 HG2 PRO A 21 38.704 -68.262 9.961 1.00 0.00 H new ATOM 0 HG3 PRO A 21 37.069 -67.645 9.829 1.00 0.00 H new ATOM 0 HD2 PRO A 21 39.668 -66.279 9.066 1.00 0.00 H new ATOM 0 HD3 PRO A 21 38.103 -66.161 8.287 1.00 0.00 H new ATOM 346 N SER A 22 39.538 -64.571 12.881 1.00 0.00 N ATOM 347 CA SER A 22 40.035 -63.837 14.051 1.00 0.00 C ATOM 348 C SER A 22 40.633 -62.487 13.641 1.00 0.00 C ATOM 349 O SER A 22 41.828 -62.237 13.793 1.00 0.00 O ATOM 350 CB SER A 22 41.065 -64.711 14.771 1.00 0.00 C ATOM 351 OG SER A 22 40.459 -65.928 15.185 1.00 0.00 O ATOM 0 H SER A 22 40.243 -65.090 12.357 1.00 0.00 H new ATOM 0 HA SER A 22 39.209 -63.620 14.728 1.00 0.00 H new ATOM 0 HB2 SER A 22 41.905 -64.919 14.109 1.00 0.00 H new ATOM 0 HB3 SER A 22 41.465 -64.181 15.635 1.00 0.00 H new ATOM 0 HG SER A 22 41.123 -66.484 15.644 1.00 0.00 H new ATOM 357 N SER A 23 39.792 -61.598 13.125 1.00 0.00 N ATOM 358 CA SER A 23 40.281 -60.278 12.706 1.00 0.00 C ATOM 359 C SER A 23 39.136 -59.270 12.768 1.00 0.00 C ATOM 360 O SER A 23 38.211 -59.306 11.956 1.00 0.00 O ATOM 361 CB SER A 23 40.795 -60.368 11.270 1.00 0.00 C ATOM 362 OG SER A 23 41.941 -61.205 11.215 1.00 0.00 O ATOM 0 H SER A 23 38.794 -61.754 12.987 1.00 0.00 H new ATOM 0 HA SER A 23 41.086 -59.957 13.368 1.00 0.00 H new ATOM 0 HB2 SER A 23 40.014 -60.763 10.620 1.00 0.00 H new ATOM 0 HB3 SER A 23 41.043 -59.373 10.901 1.00 0.00 H new ATOM 0 HG SER A 23 42.139 -61.548 12.111 1.00 0.00 H new ATOM 368 N ASP A 24 39.181 -58.357 13.730 1.00 0.00 N ATOM 369 CA ASP A 24 38.063 -57.419 13.877 1.00 0.00 C ATOM 370 C ASP A 24 38.463 -56.180 14.679 1.00 0.00 C ATOM 371 O ASP A 24 39.291 -56.223 15.590 1.00 0.00 O ATOM 372 CB ASP A 24 36.879 -58.135 14.537 1.00 0.00 C ATOM 373 CG ASP A 24 37.249 -58.844 15.833 1.00 0.00 C ATOM 374 OD1 ASP A 24 37.533 -58.163 16.841 1.00 0.00 O ATOM 375 OD2 ASP A 24 37.238 -60.094 15.851 1.00 0.00 O ATOM 0 H ASP A 24 39.944 -58.242 14.398 1.00 0.00 H new ATOM 0 HA ASP A 24 37.771 -57.075 12.885 1.00 0.00 H new ATOM 0 HB2 ASP A 24 36.092 -57.409 14.740 1.00 0.00 H new ATOM 0 HB3 ASP A 24 36.468 -58.863 13.837 1.00 0.00 H new ATOM 380 N PHE A 25 37.823 -55.066 14.349 1.00 0.00 N ATOM 381 CA PHE A 25 37.951 -53.868 15.185 1.00 0.00 C ATOM 382 C PHE A 25 36.937 -53.973 16.327 1.00 0.00 C ATOM 383 O PHE A 25 36.012 -54.787 16.301 1.00 0.00 O ATOM 384 CB PHE A 25 37.667 -52.612 14.351 1.00 0.00 C ATOM 385 CG PHE A 25 38.655 -52.405 13.219 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.820 -51.757 13.442 1.00 0.00 C ATOM 387 CD2 PHE A 25 38.352 -52.835 11.974 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.686 -51.554 12.425 1.00 0.00 C ATOM 389 CE2 PHE A 25 39.217 -52.630 10.958 1.00 0.00 C ATOM 390 CZ PHE A 25 40.384 -51.992 11.184 1.00 0.00 C ATOM 0 H PHE A 25 37.223 -54.961 13.531 1.00 0.00 H new ATOM 0 HA PHE A 25 38.963 -53.796 15.583 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.661 -52.679 13.937 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.686 -51.739 15.004 1.00 0.00 H new ATOM 0 HD1 PHE A 25 40.059 -51.401 14.433 1.00 0.00 H new ATOM 0 HD2 PHE A 25 37.417 -53.343 11.792 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.620 -51.042 12.605 1.00 0.00 H new ATOM 0 HE2 PHE A 25 38.975 -52.977 9.964 1.00 0.00 H new ATOM 0 HZ PHE A 25 41.077 -51.831 10.372 1.00 0.00 H new ATOM 400 N GLY A 26 37.113 -53.152 17.351 1.00 0.00 N ATOM 401 CA GLY A 26 36.285 -53.305 18.551 1.00 0.00 C ATOM 402 C GLY A 26 34.903 -52.691 18.367 1.00 0.00 C ATOM 403 O GLY A 26 34.292 -52.778 17.302 1.00 0.00 O ATOM 0 H GLY A 26 37.796 -52.395 17.384 1.00 0.00 H new ATOM 0 HA2 GLY A 26 36.183 -54.364 18.790 1.00 0.00 H new ATOM 0 HA3 GLY A 26 36.782 -52.833 19.398 1.00 0.00 H new ATOM 407 N LYS A 27 34.400 -52.054 19.414 1.00 0.00 N ATOM 408 CA LYS A 27 33.113 -51.365 19.283 1.00 0.00 C ATOM 409 C LYS A 27 33.357 -50.012 18.613 1.00 0.00 C ATOM 410 O LYS A 27 33.820 -49.045 19.216 1.00 0.00 O ATOM 411 CB LYS A 27 32.414 -51.267 20.644 1.00 0.00 C ATOM 412 CG LYS A 27 33.198 -50.447 21.671 1.00 0.00 C ATOM 413 CD LYS A 27 32.494 -50.452 23.026 1.00 0.00 C ATOM 414 CE LYS A 27 33.342 -49.713 24.061 1.00 0.00 C ATOM 415 NZ LYS A 27 32.592 -49.601 25.322 1.00 0.00 N ATOM 0 H LYS A 27 34.839 -51.996 20.333 1.00 0.00 H new ATOM 0 HA LYS A 27 32.428 -51.928 18.649 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.430 -50.819 20.507 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.256 -52.272 21.036 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.203 -50.856 21.778 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.307 -49.422 21.317 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.517 -49.977 22.939 1.00 0.00 H new ATOM 0 HD3 LYS A 27 32.322 -51.478 23.351 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.277 -50.247 24.228 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.603 -48.721 23.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.169 -49.098 26.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.711 -49.074 25.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.365 -50.552 25.676 1.00 0.00 H new ATOM 429 N MET A 28 33.084 -49.974 17.319 1.00 0.00 N ATOM 430 CA MET A 28 33.429 -48.787 16.535 1.00 0.00 C ATOM 431 C MET A 28 32.255 -47.805 16.545 1.00 0.00 C ATOM 432 O MET A 28 32.242 -46.857 17.330 1.00 0.00 O ATOM 433 CB MET A 28 33.823 -49.245 15.126 1.00 0.00 C ATOM 434 CG MET A 28 35.184 -49.945 15.113 1.00 0.00 C ATOM 435 SD MET A 28 35.632 -50.411 13.432 1.00 0.00 S ATOM 436 CE MET A 28 35.966 -48.794 12.722 1.00 0.00 C ATOM 0 H MET A 28 32.637 -50.726 16.795 1.00 0.00 H new ATOM 0 HA MET A 28 34.278 -48.254 16.964 1.00 0.00 H new ATOM 0 HB2 MET A 28 33.062 -49.923 14.739 1.00 0.00 H new ATOM 0 HB3 MET A 28 33.852 -48.383 14.459 1.00 0.00 H new ATOM 0 HG2 MET A 28 35.944 -49.284 15.529 1.00 0.00 H new ATOM 0 HG3 MET A 28 35.151 -50.831 15.747 1.00 0.00 H new ATOM 0 HE1 MET A 28 36.442 -48.915 11.749 1.00 0.00 H new ATOM 0 HE2 MET A 28 35.030 -48.249 12.603 1.00 0.00 H new ATOM 0 HE3 MET A 28 36.629 -48.236 13.383 1.00 0.00 H new ATOM 446 N ASP A 29 31.253 -48.019 15.701 1.00 0.00 N ATOM 447 CA ASP A 29 30.075 -47.141 15.737 1.00 0.00 C ATOM 448 C ASP A 29 28.810 -47.915 15.350 1.00 0.00 C ATOM 449 O ASP A 29 28.092 -47.562 14.413 1.00 0.00 O ATOM 450 CB ASP A 29 30.298 -45.899 14.860 1.00 0.00 C ATOM 451 CG ASP A 29 30.482 -46.172 13.368 1.00 0.00 C ATOM 452 OD1 ASP A 29 30.748 -47.327 12.973 1.00 0.00 O ATOM 453 OD2 ASP A 29 30.350 -45.215 12.575 1.00 0.00 O ATOM 0 H ASP A 29 31.223 -48.763 15.004 1.00 0.00 H new ATOM 0 HA ASP A 29 29.929 -46.787 16.757 1.00 0.00 H new ATOM 0 HB2 ASP A 29 29.448 -45.229 14.987 1.00 0.00 H new ATOM 0 HB3 ASP A 29 31.178 -45.370 15.226 1.00 0.00 H new ATOM 458 N CYS A 30 28.525 -48.977 16.095 1.00 0.00 N ATOM 459 CA CYS A 30 27.348 -49.797 15.782 1.00 0.00 C ATOM 460 C CYS A 30 26.562 -50.135 17.058 1.00 0.00 C ATOM 461 O CYS A 30 25.794 -49.312 17.557 1.00 0.00 O ATOM 462 CB CYS A 30 27.815 -51.043 15.022 1.00 0.00 C ATOM 463 SG CYS A 30 28.215 -50.621 13.317 1.00 0.00 S ATOM 0 H CYS A 30 29.071 -49.289 16.898 1.00 0.00 H new ATOM 0 HA CYS A 30 26.657 -49.245 15.145 1.00 0.00 H new ATOM 0 HB2 CYS A 30 28.689 -51.470 15.513 1.00 0.00 H new ATOM 0 HB3 CYS A 30 27.034 -51.804 15.042 1.00 0.00 H new ATOM 468 N ARG A 31 26.707 -51.351 17.575 1.00 0.00 N ATOM 469 CA ARG A 31 25.857 -51.797 18.687 1.00 0.00 C ATOM 470 C ARG A 31 26.724 -52.508 19.736 1.00 0.00 C ATOM 471 O ARG A 31 27.891 -52.819 19.498 1.00 0.00 O ATOM 472 CB ARG A 31 24.772 -52.691 18.067 1.00 0.00 C ATOM 473 CG ARG A 31 23.797 -53.278 19.087 1.00 0.00 C ATOM 474 CD ARG A 31 22.575 -53.867 18.383 1.00 0.00 C ATOM 475 NE ARG A 31 21.637 -54.417 19.367 1.00 0.00 N ATOM 476 CZ ARG A 31 20.395 -54.723 19.016 1.00 0.00 C ATOM 477 NH1 ARG A 31 19.973 -54.543 17.777 1.00 0.00 N ATOM 478 NH2 ARG A 31 19.568 -55.213 19.916 1.00 0.00 N ATOM 0 H ARG A 31 27.389 -52.038 17.254 1.00 0.00 H new ATOM 0 HA ARG A 31 25.373 -50.976 19.216 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.211 -52.110 17.335 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.252 -53.507 17.526 1.00 0.00 H new ATOM 0 HG2 ARG A 31 24.295 -54.052 19.671 1.00 0.00 H new ATOM 0 HG3 ARG A 31 23.483 -52.503 19.786 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.081 -53.096 17.791 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.887 -54.649 17.691 1.00 0.00 H new ATOM 0 HE ARG A 31 21.942 -54.565 20.329 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.606 -54.163 17.073 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.015 -54.784 17.525 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.884 -55.355 20.875 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.611 -55.451 19.654 1.00 0.00 H new ATOM 492 N TRP A 32 26.172 -52.736 20.924 1.00 0.00 N ATOM 493 CA TRP A 32 26.987 -53.247 22.038 1.00 0.00 C ATOM 494 C TRP A 32 27.684 -54.576 21.719 1.00 0.00 C ATOM 495 O TRP A 32 28.910 -54.669 21.754 1.00 0.00 O ATOM 496 CB TRP A 32 26.085 -53.354 23.274 1.00 0.00 C ATOM 497 CG TRP A 32 26.837 -53.813 24.510 1.00 0.00 C ATOM 498 CD1 TRP A 32 26.691 -55.037 25.171 1.00 0.00 C ATOM 499 CD2 TRP A 32 27.769 -53.109 25.229 1.00 0.00 C ATOM 500 NE1 TRP A 32 27.539 -55.103 26.286 1.00 0.00 N ATOM 501 CE2 TRP A 32 28.183 -53.876 26.281 1.00 0.00 C ATOM 502 CE3 TRP A 32 28.244 -51.866 25.032 1.00 0.00 C ATOM 503 CZ2 TRP A 32 29.091 -53.406 27.160 1.00 0.00 C ATOM 504 CZ3 TRP A 32 29.152 -51.391 25.919 1.00 0.00 C ATOM 505 CH2 TRP A 32 29.572 -52.151 26.968 1.00 0.00 C ATOM 0 H TRP A 32 25.188 -52.582 21.145 1.00 0.00 H new ATOM 0 HA TRP A 32 27.802 -52.549 22.227 1.00 0.00 H new ATOM 0 HB2 TRP A 32 25.629 -52.384 23.471 1.00 0.00 H new ATOM 0 HB3 TRP A 32 25.274 -54.052 23.067 1.00 0.00 H new ATOM 0 HD1 TRP A 32 26.017 -55.824 24.865 1.00 0.00 H new ATOM 0 HE1 TRP A 32 27.655 -55.873 26.945 1.00 0.00 H new ATOM 0 HE3 TRP A 32 27.913 -51.267 24.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 29.425 -54.009 27.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 29.549 -50.394 25.792 1.00 0.00 H new ATOM 0 HH2 TRP A 32 30.299 -51.749 27.658 1.00 0.00 H new ATOM 516 N ARG A 33 26.919 -55.615 21.415 1.00 0.00 N ATOM 517 CA ARG A 33 27.542 -56.920 21.137 1.00 0.00 C ATOM 518 C ARG A 33 27.977 -57.069 19.672 1.00 0.00 C ATOM 519 O ARG A 33 28.253 -58.180 19.219 1.00 0.00 O ATOM 520 CB ARG A 33 26.552 -58.039 21.497 1.00 0.00 C ATOM 521 CG ARG A 33 26.298 -58.089 23.006 1.00 0.00 C ATOM 522 CD ARG A 33 25.204 -59.081 23.412 1.00 0.00 C ATOM 523 NE ARG A 33 25.684 -60.471 23.441 1.00 0.00 N ATOM 524 CZ ARG A 33 25.379 -61.333 22.477 1.00 0.00 C ATOM 525 NH1 ARG A 33 24.725 -60.961 21.393 1.00 0.00 N ATOM 526 NH2 ARG A 33 25.739 -62.595 22.606 1.00 0.00 N ATOM 0 H ARG A 33 25.901 -55.594 21.353 1.00 0.00 H new ATOM 0 HA ARG A 33 28.443 -56.990 21.747 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.610 -57.878 20.972 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.945 -58.998 21.160 1.00 0.00 H new ATOM 0 HG2 ARG A 33 27.225 -58.356 23.513 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.021 -57.093 23.352 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.822 -58.812 24.397 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.370 -59.003 22.714 1.00 0.00 H new ATOM 0 HE ARG A 33 26.265 -60.781 24.220 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.439 -59.989 21.278 1.00 0.00 H new ATOM 0 HH12 ARG A 33 24.505 -61.646 20.670 1.00 0.00 H new ATOM 0 HH21 ARG A 33 26.245 -62.899 23.438 1.00 0.00 H new ATOM 0 HH22 ARG A 33 25.511 -63.268 21.874 1.00 0.00 H new ATOM 540 N TRP A 34 28.033 -55.983 18.909 1.00 0.00 N ATOM 541 CA TRP A 34 28.405 -56.099 17.495 1.00 0.00 C ATOM 542 C TRP A 34 29.771 -55.445 17.293 1.00 0.00 C ATOM 543 O TRP A 34 30.022 -54.327 17.743 1.00 0.00 O ATOM 544 CB TRP A 34 27.367 -55.393 16.615 1.00 0.00 C ATOM 545 CG TRP A 34 25.987 -56.034 16.619 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.437 -56.906 17.570 1.00 0.00 C ATOM 547 CD2 TRP A 34 25.003 -55.856 15.675 1.00 0.00 C ATOM 548 NE1 TRP A 34 24.127 -57.257 17.228 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.906 -56.582 16.040 1.00 0.00 C ATOM 550 CE3 TRP A 34 25.014 -55.118 14.547 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.793 -56.581 15.281 1.00 0.00 C ATOM 552 CZ3 TRP A 34 23.896 -55.124 13.778 1.00 0.00 C ATOM 553 CH2 TRP A 34 22.800 -55.847 14.140 1.00 0.00 C ATOM 0 H TRP A 34 27.833 -55.035 19.229 1.00 0.00 H new ATOM 0 HA TRP A 34 28.445 -57.152 17.215 1.00 0.00 H new ATOM 0 HB2 TRP A 34 27.273 -54.359 16.946 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.737 -55.367 15.590 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.956 -57.259 18.449 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.485 -57.867 17.735 1.00 0.00 H new ATOM 0 HE3 TRP A 34 25.883 -54.542 14.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 21.921 -57.148 15.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 23.875 -54.547 12.865 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.923 -55.836 13.509 1.00 0.00 H new ATOM 564 N LYS A 35 30.661 -56.145 16.606 1.00 0.00 N ATOM 565 CA LYS A 35 31.997 -55.586 16.360 1.00 0.00 C ATOM 566 C LYS A 35 32.210 -55.350 14.863 1.00 0.00 C ATOM 567 O LYS A 35 31.526 -55.918 14.011 1.00 0.00 O ATOM 568 CB LYS A 35 33.063 -56.505 16.970 1.00 0.00 C ATOM 569 CG LYS A 35 33.019 -57.942 16.445 1.00 0.00 C ATOM 570 CD LYS A 35 33.994 -58.811 17.243 1.00 0.00 C ATOM 571 CE LYS A 35 33.996 -60.268 16.775 1.00 0.00 C ATOM 572 NZ LYS A 35 34.555 -60.373 15.417 1.00 0.00 N ATOM 0 H LYS A 35 30.498 -57.073 16.216 1.00 0.00 H new ATOM 0 HA LYS A 35 32.086 -54.614 16.846 1.00 0.00 H new ATOM 0 HB2 LYS A 35 34.049 -56.085 16.768 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.938 -56.520 18.053 1.00 0.00 H new ATOM 0 HG2 LYS A 35 32.008 -58.340 16.530 1.00 0.00 H new ATOM 0 HG3 LYS A 35 33.281 -57.961 15.387 1.00 0.00 H new ATOM 0 HD2 LYS A 35 35.000 -58.402 17.151 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.729 -58.772 18.300 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.582 -60.876 17.464 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.980 -60.662 16.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.026 -61.088 14.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 34.479 -59.453 14.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 35.555 -60.652 15.474 1.00 0.00 H new ATOM 586 N CYS A 36 33.152 -54.473 14.538 1.00 0.00 N ATOM 587 CA CYS A 36 33.365 -54.119 13.130 1.00 0.00 C ATOM 588 C CYS A 36 34.428 -55.048 12.548 1.00 0.00 C ATOM 589 O CYS A 36 35.582 -55.050 12.973 1.00 0.00 O ATOM 590 CB CYS A 36 33.806 -52.655 13.097 1.00 0.00 C ATOM 591 SG CYS A 36 34.206 -52.104 11.426 1.00 0.00 S ATOM 0 H CYS A 36 33.766 -54.003 15.203 1.00 0.00 H new ATOM 0 HA CYS A 36 32.462 -54.235 12.531 1.00 0.00 H new ATOM 0 HB2 CYS A 36 33.013 -52.029 13.505 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.677 -52.525 13.739 1.00 0.00 H new ATOM 596 N CYS A 37 34.042 -55.872 11.586 1.00 0.00 N ATOM 597 CA CYS A 37 34.965 -56.914 11.122 1.00 0.00 C ATOM 598 C CYS A 37 36.013 -56.328 10.169 1.00 0.00 C ATOM 599 O CYS A 37 35.771 -55.355 9.455 1.00 0.00 O ATOM 600 CB CYS A 37 34.133 -58.011 10.461 1.00 0.00 C ATOM 601 SG CYS A 37 35.155 -59.446 10.091 1.00 0.00 S ATOM 0 H CYS A 37 33.134 -55.850 11.122 1.00 0.00 H new ATOM 0 HA CYS A 37 35.520 -57.338 11.959 1.00 0.00 H new ATOM 0 HB2 CYS A 37 33.315 -58.301 11.120 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.684 -57.631 9.543 1.00 0.00 H new ATOM 606 N LYS A 38 37.207 -56.905 10.189 1.00 0.00 N ATOM 607 CA LYS A 38 38.336 -56.309 9.460 1.00 0.00 C ATOM 608 C LYS A 38 38.501 -56.956 8.080 1.00 0.00 C ATOM 609 O LYS A 38 38.178 -58.127 7.878 1.00 0.00 O ATOM 610 CB LYS A 38 39.579 -56.530 10.335 1.00 0.00 C ATOM 611 CG LYS A 38 40.865 -55.960 9.733 1.00 0.00 C ATOM 612 CD LYS A 38 42.075 -56.332 10.592 1.00 0.00 C ATOM 613 CE LYS A 38 43.365 -55.919 9.886 1.00 0.00 C ATOM 614 NZ LYS A 38 44.539 -56.296 10.690 1.00 0.00 N ATOM 0 H LYS A 38 37.424 -57.767 10.689 1.00 0.00 H new ATOM 0 HA LYS A 38 38.173 -55.247 9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 38 39.412 -56.073 11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.709 -57.599 10.502 1.00 0.00 H new ATOM 0 HG2 LYS A 38 41.000 -56.343 8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 38 40.787 -54.876 9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 38 42.008 -55.839 11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 38 42.081 -57.406 10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 38 43.419 -56.396 8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 38 43.364 -54.842 9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 45.406 -56.007 10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 44.494 -55.821 11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 44.547 -57.326 10.830 1.00 0.00 H new ATOM 628 N LYS A 39 39.028 -56.202 7.118 1.00 0.00 N ATOM 629 CA LYS A 39 39.286 -56.785 5.793 1.00 0.00 C ATOM 630 C LYS A 39 40.705 -57.360 5.693 1.00 0.00 C ATOM 631 O LYS A 39 40.894 -58.500 5.268 1.00 0.00 O ATOM 632 CB LYS A 39 38.973 -55.776 4.672 1.00 0.00 C ATOM 633 CG LYS A 39 40.004 -54.660 4.449 1.00 0.00 C ATOM 634 CD LYS A 39 40.090 -53.698 5.635 1.00 0.00 C ATOM 635 CE LYS A 39 40.917 -52.461 5.287 1.00 0.00 C ATOM 636 NZ LYS A 39 40.991 -51.584 6.467 1.00 0.00 N ATOM 0 H LYS A 39 39.279 -55.219 7.218 1.00 0.00 H new ATOM 0 HA LYS A 39 38.607 -57.627 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 39 38.859 -56.327 3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 39 38.010 -55.313 4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 39 40.984 -55.104 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 39 39.742 -54.102 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 39 39.087 -53.395 5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 39 40.536 -54.208 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 39 41.919 -52.754 4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 39 40.464 -51.929 4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 41.846 -50.994 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 40.150 -50.973 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 41.029 -52.164 7.329 1.00 0.00 H new ATOM 650 N GLY A 40 41.714 -56.587 6.074 1.00 0.00 N ATOM 651 CA GLY A 40 43.090 -57.074 5.933 1.00 0.00 C ATOM 652 C GLY A 40 44.105 -55.943 6.061 1.00 0.00 C ATOM 653 O GLY A 40 44.867 -55.871 7.025 1.00 0.00 O ATOM 0 H GLY A 40 41.619 -55.652 6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 40 43.289 -57.829 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 40 43.207 -57.560 4.964 1.00 0.00 H new ATOM 657 N SER A 41 44.130 -55.064 5.068 1.00 0.00 N ATOM 658 CA SER A 41 45.138 -53.998 5.052 1.00 0.00 C ATOM 659 C SER A 41 44.710 -52.834 5.947 1.00 0.00 C ATOM 660 O SER A 41 44.188 -51.816 5.489 1.00 0.00 O ATOM 661 CB SER A 41 45.332 -53.534 3.605 1.00 0.00 C ATOM 662 OG SER A 41 44.155 -52.889 3.136 1.00 0.00 O ATOM 0 H SER A 41 43.484 -55.061 4.279 1.00 0.00 H new ATOM 0 HA SER A 41 46.082 -54.377 5.444 1.00 0.00 H new ATOM 0 HB2 SER A 41 46.179 -52.851 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 41 45.566 -54.388 2.969 1.00 0.00 H new ATOM 0 HG SER A 41 43.936 -52.138 3.727 1.00 0.00 H new ATOM 668 N GLY A 42 44.936 -52.993 7.241 1.00 0.00 N ATOM 669 CA GLY A 42 44.530 -51.956 8.191 1.00 0.00 C ATOM 670 C GLY A 42 43.315 -52.412 8.986 1.00 0.00 C ATOM 671 O GLY A 42 42.299 -52.809 8.374 1.00 0.00 O ATOM 672 OXT GLY A 42 43.372 -52.380 10.234 1.00 0.00 O ATOM 0 H GLY A 42 45.387 -53.808 7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 42 45.353 -51.732 8.869 1.00 0.00 H new ATOM 0 HA3 GLY A 42 44.298 -51.035 7.657 1.00 0.00 H new TER 676 GLY A 42