USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=13 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 Single : A 1 TYR N :NH3+ -162:sc= 1.15 (180deg=0.96) 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 3 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.5) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= 0.0552 K(o=0.055,f=-0.61) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.109) USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 0.705 (180deg=0.629) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 58:sc= 0.62 USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0.425 (180deg=0.41) USER MOD Single : A 28 MET CE :methyl -167:sc= -1.87 (180deg=-2.47!) USER MOD Single : A 35 LYS NZ :NH3+ -137:sc= 0.405 (180deg=-0.16!) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= -0.0119 (180deg=-0.169) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= -0.439! (180deg=-0.552!) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0375 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 29.766 -46.239 10.639 1.00 0.00 N ATOM 2 CA TYR A 1 29.919 -45.093 9.723 1.00 0.00 C ATOM 3 C TYR A 1 31.130 -44.220 10.084 1.00 0.00 C ATOM 4 O TYR A 1 31.853 -43.764 9.199 1.00 0.00 O ATOM 5 CB TYR A 1 28.615 -44.285 9.742 1.00 0.00 C ATOM 6 CG TYR A 1 28.634 -43.135 8.751 1.00 0.00 C ATOM 7 CD1 TYR A 1 28.449 -43.376 7.429 1.00 0.00 C ATOM 8 CD2 TYR A 1 28.839 -41.867 9.181 1.00 0.00 C ATOM 9 CE1 TYR A 1 28.465 -42.351 6.545 1.00 0.00 C ATOM 10 CE2 TYR A 1 28.856 -40.844 8.296 1.00 0.00 C ATOM 11 CZ TYR A 1 28.667 -41.086 6.978 1.00 0.00 C ATOM 12 OH TYR A 1 28.679 -40.046 6.086 1.00 0.00 O ATOM 0 H1 TYR A 1 29.151 -46.954 10.201 1.00 0.00 H new ATOM 0 H2 TYR A 1 30.699 -46.656 10.832 1.00 0.00 H new ATOM 0 H3 TYR A 1 29.340 -45.916 11.531 1.00 0.00 H new ATOM 0 HA TYR A 1 30.111 -45.462 8.715 1.00 0.00 H new ATOM 0 HB2 TYR A 1 27.778 -44.945 9.513 1.00 0.00 H new ATOM 0 HB3 TYR A 1 28.447 -43.894 10.746 1.00 0.00 H new ATOM 0 HD1 TYR A 1 28.289 -44.386 7.082 1.00 0.00 H new ATOM 0 HD2 TYR A 1 28.989 -41.672 10.233 1.00 0.00 H new ATOM 0 HE1 TYR A 1 28.316 -42.544 5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 1 29.020 -39.834 8.641 1.00 0.00 H new ATOM 0 HH TYR A 1 28.836 -39.206 6.565 1.00 0.00 H new ATOM 24 N LYS A 2 31.348 -43.944 11.366 1.00 0.00 N ATOM 25 CA LYS A 2 32.367 -42.953 11.740 1.00 0.00 C ATOM 26 C LYS A 2 33.766 -43.584 11.763 1.00 0.00 C ATOM 27 O LYS A 2 34.490 -43.543 10.768 1.00 0.00 O ATOM 28 CB LYS A 2 31.975 -42.325 13.087 1.00 0.00 C ATOM 29 CG LYS A 2 30.607 -41.640 13.020 1.00 0.00 C ATOM 30 CD LYS A 2 30.201 -41.093 14.387 1.00 0.00 C ATOM 31 CE LYS A 2 28.777 -40.542 14.339 1.00 0.00 C ATOM 32 NZ LYS A 2 28.383 -40.050 15.670 1.00 0.00 N ATOM 0 H LYS A 2 30.853 -44.374 12.147 1.00 0.00 H new ATOM 0 HA LYS A 2 32.410 -42.160 10.994 1.00 0.00 H new ATOM 0 HB2 LYS A 2 31.957 -43.097 13.856 1.00 0.00 H new ATOM 0 HB3 LYS A 2 32.731 -41.598 13.383 1.00 0.00 H new ATOM 0 HG2 LYS A 2 30.638 -40.828 12.294 1.00 0.00 H new ATOM 0 HG3 LYS A 2 29.857 -42.350 12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 2 30.267 -41.882 15.136 1.00 0.00 H new ATOM 0 HD3 LYS A 2 30.892 -40.307 14.691 1.00 0.00 H new ATOM 0 HE2 LYS A 2 28.715 -39.734 13.610 1.00 0.00 H new ATOM 0 HE3 LYS A 2 28.088 -41.320 14.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 27.413 -39.677 15.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 28.425 -40.831 16.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 29.033 -39.294 15.967 1.00 0.00 H new ATOM 46 N GLN A 3 34.162 -44.177 12.884 1.00 0.00 N ATOM 47 CA GLN A 3 35.499 -44.785 12.964 1.00 0.00 C ATOM 48 C GLN A 3 35.569 -46.125 12.225 1.00 0.00 C ATOM 49 O GLN A 3 36.569 -46.437 11.578 1.00 0.00 O ATOM 50 CB GLN A 3 35.867 -44.965 14.439 1.00 0.00 C ATOM 51 CG GLN A 3 37.302 -45.467 14.624 1.00 0.00 C ATOM 52 CD GLN A 3 38.363 -44.442 14.241 1.00 0.00 C ATOM 53 OE1 GLN A 3 38.083 -43.309 13.852 1.00 0.00 O ATOM 54 NE2 GLN A 3 39.616 -44.835 14.348 1.00 0.00 N ATOM 0 H GLN A 3 33.600 -44.253 13.732 1.00 0.00 H new ATOM 0 HA GLN A 3 36.213 -44.122 12.475 1.00 0.00 H new ATOM 0 HB2 GLN A 3 35.747 -44.015 14.959 1.00 0.00 H new ATOM 0 HB3 GLN A 3 35.176 -45.670 14.900 1.00 0.00 H new ATOM 0 HG2 GLN A 3 37.446 -45.754 15.666 1.00 0.00 H new ATOM 0 HG3 GLN A 3 37.444 -46.365 14.023 1.00 0.00 H new ATOM 0 HE21 GLN A 3 39.829 -45.778 14.672 1.00 0.00 H new ATOM 0 HE22 GLN A 3 40.373 -44.196 14.106 1.00 0.00 H new ATOM 63 N CYS A 4 34.513 -46.924 12.317 1.00 0.00 N ATOM 64 CA CYS A 4 34.491 -48.219 11.625 1.00 0.00 C ATOM 65 C CYS A 4 34.750 -48.107 10.114 1.00 0.00 C ATOM 66 O CYS A 4 35.423 -48.953 9.526 1.00 0.00 O ATOM 67 CB CYS A 4 33.121 -48.845 11.891 1.00 0.00 C ATOM 68 SG CYS A 4 32.893 -50.343 10.919 1.00 0.00 S ATOM 0 H CYS A 4 33.672 -46.709 12.852 1.00 0.00 H new ATOM 0 HA CYS A 4 35.301 -48.839 12.009 1.00 0.00 H new ATOM 0 HB2 CYS A 4 33.024 -49.078 12.951 1.00 0.00 H new ATOM 0 HB3 CYS A 4 32.337 -48.128 11.649 1.00 0.00 H new ATOM 73 N HIS A 5 34.232 -47.062 9.479 1.00 0.00 N ATOM 74 CA HIS A 5 34.490 -46.857 8.046 1.00 0.00 C ATOM 75 C HIS A 5 35.936 -46.408 7.772 1.00 0.00 C ATOM 76 O HIS A 5 36.553 -46.845 6.802 1.00 0.00 O ATOM 77 CB HIS A 5 33.471 -45.825 7.552 1.00 0.00 C ATOM 78 CG HIS A 5 33.492 -45.624 6.054 1.00 0.00 C ATOM 79 ND1 HIS A 5 33.778 -44.419 5.439 1.00 0.00 N ATOM 80 CD2 HIS A 5 33.124 -46.587 5.102 1.00 0.00 C ATOM 81 CE1 HIS A 5 33.547 -44.760 4.133 1.00 0.00 C ATOM 82 NE2 HIS A 5 33.161 -46.040 3.829 1.00 0.00 N ATOM 0 H HIS A 5 33.642 -46.354 9.916 1.00 0.00 H new ATOM 0 HA HIS A 5 34.377 -47.797 7.506 1.00 0.00 H new ATOM 0 HB2 HIS A 5 32.472 -46.139 7.854 1.00 0.00 H new ATOM 0 HB3 HIS A 5 33.666 -44.871 8.041 1.00 0.00 H new ATOM 0 HD2 HIS A 5 32.851 -47.607 5.329 1.00 0.00 H new ATOM 0 HE1 HIS A 5 33.668 -44.027 3.349 1.00 0.00 H new ATOM 0 HE2 HIS A 5 32.959 -46.467 2.925 1.00 0.00 H new ATOM 91 N LYS A 6 36.486 -45.546 8.623 1.00 0.00 N ATOM 92 CA LYS A 6 37.888 -45.123 8.460 1.00 0.00 C ATOM 93 C LYS A 6 38.877 -46.276 8.685 1.00 0.00 C ATOM 94 O LYS A 6 39.842 -46.422 7.935 1.00 0.00 O ATOM 95 CB LYS A 6 38.166 -43.970 9.431 1.00 0.00 C ATOM 96 CG LYS A 6 37.431 -42.695 9.003 1.00 0.00 C ATOM 97 CD LYS A 6 37.444 -41.621 10.093 1.00 0.00 C ATOM 98 CE LYS A 6 38.836 -41.038 10.339 1.00 0.00 C ATOM 99 NZ LYS A 6 38.750 -39.978 11.359 1.00 0.00 N ATOM 0 H LYS A 6 36.001 -45.130 9.418 1.00 0.00 H new ATOM 0 HA LYS A 6 38.034 -44.793 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 6 37.853 -44.254 10.436 1.00 0.00 H new ATOM 0 HB3 LYS A 6 39.238 -43.778 9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 6 37.894 -42.298 8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 6 36.399 -42.941 8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 6 36.764 -40.817 9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 6 37.066 -42.049 11.022 1.00 0.00 H new ATOM 0 HE2 LYS A 6 39.517 -41.822 10.670 1.00 0.00 H new ATOM 0 HE3 LYS A 6 39.242 -40.634 9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 39.696 -39.581 11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 38.113 -39.226 11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 38.380 -40.378 12.245 1.00 0.00 H new ATOM 113 N LYS A 7 38.645 -47.118 9.689 1.00 0.00 N ATOM 114 CA LYS A 7 39.472 -48.326 9.842 1.00 0.00 C ATOM 115 C LYS A 7 39.262 -49.308 8.679 1.00 0.00 C ATOM 116 O LYS A 7 40.212 -49.933 8.207 1.00 0.00 O ATOM 117 CB LYS A 7 39.138 -49.020 11.169 1.00 0.00 C ATOM 118 CG LYS A 7 39.559 -48.220 12.408 1.00 0.00 C ATOM 119 CD LYS A 7 41.072 -48.024 12.540 1.00 0.00 C ATOM 120 CE LYS A 7 41.817 -49.346 12.738 1.00 0.00 C ATOM 121 NZ LYS A 7 43.265 -49.093 12.844 1.00 0.00 N ATOM 0 H LYS A 7 37.916 -46.999 10.392 1.00 0.00 H new ATOM 0 HA LYS A 7 40.517 -48.017 9.837 1.00 0.00 H new ATOM 0 HB2 LYS A 7 38.064 -49.202 11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.628 -49.994 11.193 1.00 0.00 H new ATOM 0 HG2 LYS A 7 39.078 -47.242 12.377 1.00 0.00 H new ATOM 0 HG3 LYS A 7 39.190 -48.729 13.299 1.00 0.00 H new ATOM 0 HD2 LYS A 7 41.450 -47.527 11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 7 41.278 -47.364 13.383 1.00 0.00 H new ATOM 0 HE2 LYS A 7 41.459 -49.844 13.639 1.00 0.00 H new ATOM 0 HE3 LYS A 7 41.616 -50.016 11.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 43.766 -49.994 12.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 43.602 -48.636 11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 43.450 -48.470 13.656 1.00 0.00 H new ATOM 135 N GLY A 8 38.028 -49.445 8.207 1.00 0.00 N ATOM 136 CA GLY A 8 37.777 -50.274 7.023 1.00 0.00 C ATOM 137 C GLY A 8 37.134 -51.602 7.399 1.00 0.00 C ATOM 138 O GLY A 8 37.806 -52.625 7.527 1.00 0.00 O ATOM 0 H GLY A 8 37.200 -49.006 8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 8 37.127 -49.737 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.716 -50.458 6.500 1.00 0.00 H new ATOM 142 N GLY A 9 35.818 -51.597 7.554 1.00 0.00 N ATOM 143 CA GLY A 9 35.126 -52.845 7.875 1.00 0.00 C ATOM 144 C GLY A 9 33.614 -52.659 7.861 1.00 0.00 C ATOM 145 O GLY A 9 33.080 -51.600 8.192 1.00 0.00 O ATOM 0 H GLY A 9 35.221 -50.775 7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 9 35.407 -53.614 7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 9 35.442 -53.196 8.857 1.00 0.00 H new ATOM 149 N HIS A 10 32.914 -53.720 7.489 1.00 0.00 N ATOM 150 CA HIS A 10 31.449 -53.686 7.538 1.00 0.00 C ATOM 151 C HIS A 10 30.985 -54.015 8.961 1.00 0.00 C ATOM 152 O HIS A 10 31.673 -54.696 9.723 1.00 0.00 O ATOM 153 CB HIS A 10 30.932 -54.703 6.513 1.00 0.00 C ATOM 154 CG HIS A 10 29.422 -54.714 6.382 1.00 0.00 C ATOM 155 ND1 HIS A 10 28.592 -55.635 6.996 1.00 0.00 N ATOM 156 CD2 HIS A 10 28.670 -53.823 5.600 1.00 0.00 C ATOM 157 CE1 HIS A 10 27.377 -55.208 6.532 1.00 0.00 C ATOM 158 NE2 HIS A 10 27.321 -54.129 5.688 1.00 0.00 N ATOM 0 H HIS A 10 33.317 -54.596 7.157 1.00 0.00 H new ATOM 0 HA HIS A 10 31.056 -52.700 7.290 1.00 0.00 H new ATOM 0 HB2 HIS A 10 31.372 -54.482 5.540 1.00 0.00 H new ATOM 0 HB3 HIS A 10 31.271 -55.699 6.798 1.00 0.00 H new ATOM 0 HD1 HIS A 10 28.820 -56.411 7.617 1.00 0.00 H new ATOM 0 HD2 HIS A 10 29.083 -53.015 5.014 1.00 0.00 H new ATOM 0 HE1 HIS A 10 26.471 -55.716 6.828 1.00 0.00 H new ATOM 167 N CYS A 11 29.798 -53.546 9.323 1.00 0.00 N ATOM 168 CA CYS A 11 29.261 -53.871 10.649 1.00 0.00 C ATOM 169 C CYS A 11 28.681 -55.289 10.650 1.00 0.00 C ATOM 170 O CYS A 11 27.816 -55.634 9.844 1.00 0.00 O ATOM 171 CB CYS A 11 28.151 -52.882 11.011 1.00 0.00 C ATOM 172 SG CYS A 11 28.824 -51.299 11.538 1.00 0.00 S ATOM 0 H CYS A 11 29.201 -52.957 8.742 1.00 0.00 H new ATOM 0 HA CYS A 11 30.069 -53.808 11.378 1.00 0.00 H new ATOM 0 HB2 CYS A 11 27.500 -52.733 10.150 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.535 -53.300 11.807 1.00 0.00 H new ATOM 177 N PHE A 12 29.154 -56.111 11.577 1.00 0.00 N ATOM 178 CA PHE A 12 28.644 -57.484 11.683 1.00 0.00 C ATOM 179 C PHE A 12 28.233 -57.771 13.134 1.00 0.00 C ATOM 180 O PHE A 12 28.864 -57.273 14.066 1.00 0.00 O ATOM 181 CB PHE A 12 29.743 -58.484 11.298 1.00 0.00 C ATOM 182 CG PHE A 12 30.142 -58.421 9.835 1.00 0.00 C ATOM 183 CD1 PHE A 12 29.299 -58.887 8.883 1.00 0.00 C ATOM 184 CD2 PHE A 12 31.358 -57.941 9.482 1.00 0.00 C ATOM 185 CE1 PHE A 12 29.672 -58.873 7.582 1.00 0.00 C ATOM 186 CE2 PHE A 12 31.735 -57.937 8.182 1.00 0.00 C ATOM 187 CZ PHE A 12 30.892 -58.405 7.232 1.00 0.00 C ATOM 0 H PHE A 12 29.874 -55.865 12.256 1.00 0.00 H new ATOM 0 HA PHE A 12 27.789 -57.588 11.015 1.00 0.00 H new ATOM 0 HB2 PHE A 12 30.623 -58.297 11.914 1.00 0.00 H new ATOM 0 HB3 PHE A 12 29.401 -59.493 11.529 1.00 0.00 H new ATOM 0 HD1 PHE A 12 28.329 -59.270 9.162 1.00 0.00 H new ATOM 0 HD2 PHE A 12 32.028 -57.561 10.239 1.00 0.00 H new ATOM 0 HE1 PHE A 12 28.995 -59.236 6.823 1.00 0.00 H new ATOM 0 HE2 PHE A 12 32.708 -57.561 7.903 1.00 0.00 H new ATOM 0 HZ PHE A 12 31.193 -58.405 6.195 1.00 0.00 H new ATOM 197 N PRO A 13 27.223 -58.610 13.377 1.00 0.00 N ATOM 198 CA PRO A 13 26.869 -59.025 14.740 1.00 0.00 C ATOM 199 C PRO A 13 28.030 -59.681 15.503 1.00 0.00 C ATOM 200 O PRO A 13 29.055 -60.056 14.930 1.00 0.00 O ATOM 201 CB PRO A 13 25.747 -60.034 14.472 1.00 0.00 C ATOM 202 CG PRO A 13 25.149 -59.615 13.130 1.00 0.00 C ATOM 203 CD PRO A 13 26.351 -59.132 12.324 1.00 0.00 C ATOM 0 HA PRO A 13 26.592 -58.184 15.376 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.134 -61.052 14.431 1.00 0.00 H new ATOM 0 HB3 PRO A 13 24.997 -60.010 15.263 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.648 -60.449 12.639 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.408 -58.826 13.253 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.822 -59.941 11.766 1.00 0.00 H new ATOM 0 HD3 PRO A 13 26.077 -58.364 11.601 1.00 0.00 H new ATOM 211 N LYS A 14 27.865 -59.833 16.811 1.00 0.00 N ATOM 212 CA LYS A 14 28.934 -60.416 17.638 1.00 0.00 C ATOM 213 C LYS A 14 29.298 -61.859 17.253 1.00 0.00 C ATOM 214 O LYS A 14 30.465 -62.249 17.302 1.00 0.00 O ATOM 215 CB LYS A 14 28.461 -60.362 19.095 1.00 0.00 C ATOM 216 CG LYS A 14 29.555 -60.731 20.099 1.00 0.00 C ATOM 217 CD LYS A 14 30.601 -59.617 20.225 1.00 0.00 C ATOM 218 CE LYS A 14 31.665 -59.936 21.278 1.00 0.00 C ATOM 219 NZ LYS A 14 32.420 -61.154 20.931 1.00 0.00 N ATOM 0 H LYS A 14 27.022 -59.569 17.321 1.00 0.00 H new ATOM 0 HA LYS A 14 29.844 -59.837 17.480 1.00 0.00 H new ATOM 0 HB2 LYS A 14 28.099 -59.358 19.315 1.00 0.00 H new ATOM 0 HB3 LYS A 14 27.617 -61.040 19.221 1.00 0.00 H new ATOM 0 HG2 LYS A 14 29.106 -60.922 21.074 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.042 -61.655 19.785 1.00 0.00 H new ATOM 0 HD2 LYS A 14 31.083 -59.463 19.260 1.00 0.00 H new ATOM 0 HD3 LYS A 14 30.104 -58.683 20.485 1.00 0.00 H new ATOM 0 HE2 LYS A 14 32.352 -59.095 21.369 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.189 -60.066 22.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 33.228 -61.258 21.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 31.799 -61.984 21.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 32.767 -61.081 19.953 1.00 0.00 H new ATOM 233 N GLU A 15 28.302 -62.659 16.891 1.00 0.00 N ATOM 234 CA GLU A 15 28.548 -64.077 16.575 1.00 0.00 C ATOM 235 C GLU A 15 29.415 -64.330 15.330 1.00 0.00 C ATOM 236 O GLU A 15 29.971 -65.416 15.164 1.00 0.00 O ATOM 237 CB GLU A 15 27.189 -64.770 16.418 1.00 0.00 C ATOM 238 CG GLU A 15 26.364 -64.240 15.237 1.00 0.00 C ATOM 239 CD GLU A 15 25.024 -64.948 15.134 1.00 0.00 C ATOM 240 OE1 GLU A 15 24.989 -66.108 14.671 1.00 0.00 O ATOM 241 OE2 GLU A 15 23.996 -64.344 15.510 1.00 0.00 O ATOM 0 H GLU A 15 27.329 -62.365 16.807 1.00 0.00 H new ATOM 0 HA GLU A 15 29.128 -64.487 17.402 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.349 -65.840 16.288 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.617 -64.642 17.337 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.203 -63.169 15.356 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.922 -64.378 14.311 1.00 0.00 H new ATOM 248 N LYS A 16 29.524 -63.355 14.438 1.00 0.00 N ATOM 249 CA LYS A 16 30.266 -63.574 13.189 1.00 0.00 C ATOM 250 C LYS A 16 31.778 -63.555 13.435 1.00 0.00 C ATOM 251 O LYS A 16 32.336 -62.588 13.956 1.00 0.00 O ATOM 252 CB LYS A 16 29.885 -62.480 12.183 1.00 0.00 C ATOM 253 CG LYS A 16 28.409 -62.523 11.763 1.00 0.00 C ATOM 254 CD LYS A 16 28.016 -63.803 11.011 1.00 0.00 C ATOM 255 CE LYS A 16 28.792 -64.004 9.705 1.00 0.00 C ATOM 256 NZ LYS A 16 28.573 -62.871 8.787 1.00 0.00 N ATOM 0 H LYS A 16 29.121 -62.424 14.544 1.00 0.00 H new ATOM 0 HA LYS A 16 30.004 -64.554 12.791 1.00 0.00 H new ATOM 0 HB2 LYS A 16 30.103 -61.505 12.619 1.00 0.00 H new ATOM 0 HB3 LYS A 16 30.510 -62.579 11.296 1.00 0.00 H new ATOM 0 HG2 LYS A 16 27.785 -62.429 12.652 1.00 0.00 H new ATOM 0 HG3 LYS A 16 28.195 -61.661 11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 16 28.183 -64.663 11.660 1.00 0.00 H new ATOM 0 HD3 LYS A 16 26.949 -63.773 10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 16 29.856 -64.103 9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 16 28.476 -64.931 9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 29.094 -63.036 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 27.558 -62.783 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 28.913 -61.994 9.231 1.00 0.00 H new ATOM 270 N ILE A 17 32.451 -64.629 13.034 1.00 0.00 N ATOM 271 CA ILE A 17 33.908 -64.706 13.225 1.00 0.00 C ATOM 272 C ILE A 17 34.608 -63.794 12.215 1.00 0.00 C ATOM 273 O ILE A 17 34.268 -63.745 11.032 1.00 0.00 O ATOM 274 CB ILE A 17 34.399 -66.158 13.061 1.00 0.00 C ATOM 275 CG1 ILE A 17 33.680 -67.094 14.043 1.00 0.00 C ATOM 276 CG2 ILE A 17 35.918 -66.243 13.278 1.00 0.00 C ATOM 277 CD1 ILE A 17 33.966 -68.569 13.756 1.00 0.00 C ATOM 0 H ILE A 17 32.031 -65.443 12.585 1.00 0.00 H new ATOM 0 HA ILE A 17 34.149 -64.375 14.235 1.00 0.00 H new ATOM 0 HB ILE A 17 34.168 -66.475 12.044 1.00 0.00 H new ATOM 0 HG12 ILE A 17 33.991 -66.857 15.061 1.00 0.00 H new ATOM 0 HG13 ILE A 17 32.606 -66.918 13.989 1.00 0.00 H new ATOM 0 HG21 ILE A 17 36.245 -67.276 13.158 1.00 0.00 H new ATOM 0 HG22 ILE A 17 36.426 -65.614 12.547 1.00 0.00 H new ATOM 0 HG23 ILE A 17 36.162 -65.900 14.283 1.00 0.00 H new ATOM 0 HD11 ILE A 17 33.435 -69.190 14.478 1.00 0.00 H new ATOM 0 HD12 ILE A 17 33.630 -68.815 12.749 1.00 0.00 H new ATOM 0 HD13 ILE A 17 35.037 -68.754 13.837 1.00 0.00 H new ATOM 289 N CYS A 18 35.610 -63.072 12.695 1.00 0.00 N ATOM 290 CA CYS A 18 36.356 -62.169 11.817 1.00 0.00 C ATOM 291 C CYS A 18 37.518 -62.919 11.161 1.00 0.00 C ATOM 292 O CYS A 18 38.358 -63.515 11.837 1.00 0.00 O ATOM 293 CB CYS A 18 36.851 -61.007 12.678 1.00 0.00 C ATOM 294 SG CYS A 18 37.538 -59.713 11.636 1.00 0.00 S ATOM 0 H CYS A 18 35.924 -63.088 13.665 1.00 0.00 H new ATOM 0 HA CYS A 18 35.727 -61.789 11.012 1.00 0.00 H new ATOM 0 HB2 CYS A 18 36.028 -60.608 13.271 1.00 0.00 H new ATOM 0 HB3 CYS A 18 37.608 -61.360 13.379 1.00 0.00 H new ATOM 299 N LEU A 19 37.559 -62.904 9.834 1.00 0.00 N ATOM 300 CA LEU A 19 38.624 -63.617 9.118 1.00 0.00 C ATOM 301 C LEU A 19 39.182 -62.694 8.021 1.00 0.00 C ATOM 302 O LEU A 19 38.412 -62.214 7.187 1.00 0.00 O ATOM 303 CB LEU A 19 38.036 -64.896 8.507 1.00 0.00 C ATOM 304 CG LEU A 19 39.109 -65.826 7.926 1.00 0.00 C ATOM 305 CD1 LEU A 19 39.888 -66.527 9.040 1.00 0.00 C ATOM 306 CD2 LEU A 19 38.448 -66.886 7.047 1.00 0.00 C ATOM 0 H LEU A 19 36.887 -62.420 9.238 1.00 0.00 H new ATOM 0 HA LEU A 19 39.433 -63.891 9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.472 -65.432 9.271 1.00 0.00 H new ATOM 0 HB3 LEU A 19 37.331 -64.627 7.721 1.00 0.00 H new ATOM 0 HG LEU A 19 39.799 -65.221 7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 19 40.642 -67.180 8.601 1.00 0.00 H new ATOM 0 HD12 LEU A 19 40.375 -65.781 9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 19 39.203 -67.120 9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 19 39.212 -67.545 6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 19 37.748 -67.470 7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 19 37.911 -66.400 6.232 1.00 0.00 H new ATOM 318 N PRO A 20 40.490 -62.421 7.958 1.00 0.00 N ATOM 319 CA PRO A 20 41.489 -63.088 8.803 1.00 0.00 C ATOM 320 C PRO A 20 41.426 -62.689 10.286 1.00 0.00 C ATOM 321 O PRO A 20 40.750 -61.725 10.648 1.00 0.00 O ATOM 322 CB PRO A 20 42.807 -62.642 8.162 1.00 0.00 C ATOM 323 CG PRO A 20 42.449 -62.333 6.711 1.00 0.00 C ATOM 324 CD PRO A 20 41.052 -61.726 6.801 1.00 0.00 C ATOM 0 HA PRO A 20 41.340 -64.167 8.834 1.00 0.00 H new ATOM 0 HB2 PRO A 20 43.214 -61.765 8.664 1.00 0.00 H new ATOM 0 HB3 PRO A 20 43.563 -63.425 8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 20 43.159 -61.638 6.263 1.00 0.00 H new ATOM 0 HG3 PRO A 20 42.455 -63.234 6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 20 41.085 -60.647 6.950 1.00 0.00 H new ATOM 0 HD3 PRO A 20 40.471 -61.905 5.896 1.00 0.00 H new ATOM 332 N PRO A 21 42.104 -63.418 11.176 1.00 0.00 N ATOM 333 CA PRO A 21 41.948 -63.212 12.621 1.00 0.00 C ATOM 334 C PRO A 21 42.470 -61.864 13.137 1.00 0.00 C ATOM 335 O PRO A 21 41.983 -61.334 14.135 1.00 0.00 O ATOM 336 CB PRO A 21 42.769 -64.369 13.202 1.00 0.00 C ATOM 337 CG PRO A 21 42.799 -65.424 12.097 1.00 0.00 C ATOM 338 CD PRO A 21 42.865 -64.613 10.809 1.00 0.00 C ATOM 0 HA PRO A 21 40.897 -63.194 12.909 1.00 0.00 H new ATOM 0 HB2 PRO A 21 43.776 -64.045 13.466 1.00 0.00 H new ATOM 0 HB3 PRO A 21 42.311 -64.761 14.110 1.00 0.00 H new ATOM 0 HG2 PRO A 21 43.662 -66.082 12.198 1.00 0.00 H new ATOM 0 HG3 PRO A 21 41.911 -66.056 12.125 1.00 0.00 H new ATOM 0 HD2 PRO A 21 43.891 -64.375 10.526 1.00 0.00 H new ATOM 0 HD3 PRO A 21 42.417 -65.142 9.968 1.00 0.00 H new ATOM 346 N SER A 22 43.490 -61.323 12.479 1.00 0.00 N ATOM 347 CA SER A 22 44.154 -60.116 12.992 1.00 0.00 C ATOM 348 C SER A 22 43.281 -58.858 12.910 1.00 0.00 C ATOM 349 O SER A 22 43.261 -58.052 13.841 1.00 0.00 O ATOM 350 CB SER A 22 45.453 -59.897 12.210 1.00 0.00 C ATOM 351 OG SER A 22 46.292 -61.041 12.311 1.00 0.00 O ATOM 0 H SER A 22 43.873 -61.687 11.607 1.00 0.00 H new ATOM 0 HA SER A 22 44.355 -60.281 14.051 1.00 0.00 H new ATOM 0 HB2 SER A 22 45.225 -59.697 11.163 1.00 0.00 H new ATOM 0 HB3 SER A 22 45.974 -59.021 12.596 1.00 0.00 H new ATOM 0 HG SER A 22 47.117 -60.887 11.805 1.00 0.00 H new ATOM 357 N SER A 23 42.582 -58.653 11.799 1.00 0.00 N ATOM 358 CA SER A 23 41.831 -57.403 11.626 1.00 0.00 C ATOM 359 C SER A 23 40.400 -57.523 12.166 1.00 0.00 C ATOM 360 O SER A 23 39.428 -57.578 11.411 1.00 0.00 O ATOM 361 CB SER A 23 41.837 -57.043 10.137 1.00 0.00 C ATOM 362 OG SER A 23 41.145 -58.033 9.387 1.00 0.00 O ATOM 0 H SER A 23 42.516 -59.311 11.022 1.00 0.00 H new ATOM 0 HA SER A 23 42.308 -56.609 12.200 1.00 0.00 H new ATOM 0 HB2 SER A 23 41.367 -56.071 9.989 1.00 0.00 H new ATOM 0 HB3 SER A 23 42.864 -56.959 9.780 1.00 0.00 H new ATOM 0 HG SER A 23 40.226 -58.111 9.717 1.00 0.00 H new ATOM 368 N ASP A 24 40.279 -57.537 13.488 1.00 0.00 N ATOM 369 CA ASP A 24 38.955 -57.611 14.120 1.00 0.00 C ATOM 370 C ASP A 24 38.792 -56.409 15.054 1.00 0.00 C ATOM 371 O ASP A 24 39.679 -56.076 15.840 1.00 0.00 O ATOM 372 CB ASP A 24 38.850 -58.937 14.885 1.00 0.00 C ATOM 373 CG ASP A 24 37.474 -59.171 15.501 1.00 0.00 C ATOM 374 OD1 ASP A 24 36.461 -58.708 14.933 1.00 0.00 O ATOM 375 OD2 ASP A 24 37.394 -59.832 16.559 1.00 0.00 O ATOM 0 H ASP A 24 41.063 -57.499 14.139 1.00 0.00 H new ATOM 0 HA ASP A 24 38.159 -57.580 13.376 1.00 0.00 H new ATOM 0 HB2 ASP A 24 39.082 -59.759 14.207 1.00 0.00 H new ATOM 0 HB3 ASP A 24 39.601 -58.954 15.674 1.00 0.00 H new ATOM 380 N PHE A 25 37.651 -55.741 14.952 1.00 0.00 N ATOM 381 CA PHE A 25 37.436 -54.516 15.733 1.00 0.00 C ATOM 382 C PHE A 25 36.255 -54.720 16.687 1.00 0.00 C ATOM 383 O PHE A 25 35.317 -55.462 16.396 1.00 0.00 O ATOM 384 CB PHE A 25 37.169 -53.349 14.772 1.00 0.00 C ATOM 385 CG PHE A 25 38.274 -53.163 13.744 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.477 -52.668 14.120 1.00 0.00 C ATOM 387 CD2 PHE A 25 38.064 -53.511 12.450 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.471 -52.535 13.211 1.00 0.00 C ATOM 389 CE2 PHE A 25 39.057 -53.372 11.540 1.00 0.00 C ATOM 390 CZ PHE A 25 40.260 -52.886 11.922 1.00 0.00 C ATOM 0 H PHE A 25 36.872 -56.013 14.352 1.00 0.00 H new ATOM 0 HA PHE A 25 38.321 -54.286 16.326 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.224 -53.519 14.256 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.057 -52.430 15.347 1.00 0.00 H new ATOM 0 HD1 PHE A 25 39.644 -52.379 15.147 1.00 0.00 H new ATOM 0 HD2 PHE A 25 37.104 -53.899 12.145 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.433 -52.149 13.515 1.00 0.00 H new ATOM 0 HE2 PHE A 25 38.889 -53.649 10.510 1.00 0.00 H new ATOM 0 HZ PHE A 25 41.053 -52.778 11.197 1.00 0.00 H new ATOM 400 N GLY A 26 36.295 -54.068 17.844 1.00 0.00 N ATOM 401 CA GLY A 26 35.250 -54.294 18.853 1.00 0.00 C ATOM 402 C GLY A 26 34.049 -53.373 18.645 1.00 0.00 C ATOM 403 O GLY A 26 33.454 -53.334 17.568 1.00 0.00 O ATOM 0 H GLY A 26 37.015 -53.396 18.108 1.00 0.00 H new ATOM 0 HA2 GLY A 26 34.923 -55.333 18.810 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.665 -54.131 19.848 1.00 0.00 H new ATOM 407 N LYS A 27 33.686 -52.619 19.677 1.00 0.00 N ATOM 408 CA LYS A 27 32.599 -51.643 19.517 1.00 0.00 C ATOM 409 C LYS A 27 33.158 -50.411 18.810 1.00 0.00 C ATOM 410 O LYS A 27 34.011 -49.695 19.336 1.00 0.00 O ATOM 411 CB LYS A 27 32.020 -51.225 20.873 1.00 0.00 C ATOM 412 CG LYS A 27 31.368 -52.392 21.616 1.00 0.00 C ATOM 413 CD LYS A 27 30.935 -51.955 23.017 1.00 0.00 C ATOM 414 CE LYS A 27 30.397 -53.143 23.813 1.00 0.00 C ATOM 415 NZ LYS A 27 29.999 -52.703 25.161 1.00 0.00 N ATOM 0 H LYS A 27 34.107 -52.656 20.605 1.00 0.00 H new ATOM 0 HA LYS A 27 31.799 -52.100 18.934 1.00 0.00 H new ATOM 0 HB2 LYS A 27 32.814 -50.804 21.490 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.282 -50.437 20.722 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.504 -52.751 21.057 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.069 -53.223 21.688 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.781 -51.512 23.543 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.168 -51.184 22.942 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.543 -53.581 23.297 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.159 -53.919 23.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.730 -53.530 25.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.796 -52.214 25.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.190 -52.054 25.089 1.00 0.00 H new ATOM 429 N MET A 28 32.693 -50.187 17.592 1.00 0.00 N ATOM 430 CA MET A 28 33.301 -49.151 16.753 1.00 0.00 C ATOM 431 C MET A 28 32.244 -48.088 16.449 1.00 0.00 C ATOM 432 O MET A 28 32.037 -47.161 17.232 1.00 0.00 O ATOM 433 CB MET A 28 33.846 -49.850 15.501 1.00 0.00 C ATOM 434 CG MET A 28 35.053 -50.735 15.805 1.00 0.00 C ATOM 435 SD MET A 28 36.473 -49.716 16.225 1.00 0.00 S ATOM 436 CE MET A 28 36.744 -48.972 14.610 1.00 0.00 C ATOM 0 H MET A 28 31.916 -50.691 17.164 1.00 0.00 H new ATOM 0 HA MET A 28 34.128 -48.635 17.241 1.00 0.00 H new ATOM 0 HB2 MET A 28 33.058 -50.457 15.055 1.00 0.00 H new ATOM 0 HB3 MET A 28 34.127 -49.099 14.763 1.00 0.00 H new ATOM 0 HG2 MET A 28 34.822 -51.409 16.630 1.00 0.00 H new ATOM 0 HG3 MET A 28 35.285 -51.357 14.941 1.00 0.00 H new ATOM 0 HE1 MET A 28 37.718 -48.482 14.594 1.00 0.00 H new ATOM 0 HE2 MET A 28 36.714 -49.746 13.843 1.00 0.00 H new ATOM 0 HE3 MET A 28 35.964 -48.236 14.413 1.00 0.00 H new ATOM 446 N ASP A 29 31.548 -48.226 15.328 1.00 0.00 N ATOM 447 CA ASP A 29 30.404 -47.350 15.059 1.00 0.00 C ATOM 448 C ASP A 29 29.281 -48.213 14.473 1.00 0.00 C ATOM 449 O ASP A 29 28.824 -48.012 13.347 1.00 0.00 O ATOM 450 CB ASP A 29 30.857 -46.225 14.122 1.00 0.00 C ATOM 451 CG ASP A 29 29.796 -45.146 13.970 1.00 0.00 C ATOM 452 OD1 ASP A 29 29.533 -44.413 14.947 1.00 0.00 O ATOM 453 OD2 ASP A 29 29.230 -45.014 12.864 1.00 0.00 O ATOM 0 H ASP A 29 31.744 -48.917 14.603 1.00 0.00 H new ATOM 0 HA ASP A 29 30.021 -46.874 15.962 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.774 -45.780 14.508 1.00 0.00 H new ATOM 0 HB3 ASP A 29 31.093 -46.642 13.143 1.00 0.00 H new ATOM 458 N CYS A 30 28.845 -49.203 15.248 1.00 0.00 N ATOM 459 CA CYS A 30 27.787 -50.104 14.778 1.00 0.00 C ATOM 460 C CYS A 30 26.634 -50.058 15.789 1.00 0.00 C ATOM 461 O CYS A 30 25.726 -49.235 15.672 1.00 0.00 O ATOM 462 CB CYS A 30 28.376 -51.510 14.611 1.00 0.00 C ATOM 463 SG CYS A 30 29.656 -51.533 13.341 1.00 0.00 S ATOM 0 H CYS A 30 29.196 -49.402 16.185 1.00 0.00 H new ATOM 0 HA CYS A 30 27.393 -49.800 13.808 1.00 0.00 H new ATOM 0 HB2 CYS A 30 28.795 -51.847 15.559 1.00 0.00 H new ATOM 0 HB3 CYS A 30 27.584 -52.210 14.346 1.00 0.00 H new ATOM 468 N ARG A 31 26.675 -50.914 16.805 1.00 0.00 N ATOM 469 CA ARG A 31 25.717 -50.802 17.913 1.00 0.00 C ATOM 470 C ARG A 31 26.289 -51.536 19.134 1.00 0.00 C ATOM 471 O ARG A 31 27.465 -51.900 19.174 1.00 0.00 O ATOM 472 CB ARG A 31 24.318 -51.290 17.495 1.00 0.00 C ATOM 473 CG ARG A 31 24.241 -52.798 17.241 1.00 0.00 C ATOM 474 CD ARG A 31 22.872 -53.224 16.706 1.00 0.00 C ATOM 475 NE ARG A 31 22.687 -52.722 15.338 1.00 0.00 N ATOM 476 CZ ARG A 31 21.606 -53.033 14.634 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.648 -53.789 15.138 1.00 0.00 N ATOM 478 NH2 ARG A 31 21.489 -52.577 13.404 1.00 0.00 N ATOM 0 H ARG A 31 27.344 -51.679 16.890 1.00 0.00 H new ATOM 0 HA ARG A 31 25.578 -49.757 18.189 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.603 -51.025 18.274 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.014 -50.762 16.591 1.00 0.00 H new ATOM 0 HG2 ARG A 31 25.013 -53.085 16.527 1.00 0.00 H new ATOM 0 HG3 ARG A 31 24.449 -53.332 18.168 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.791 -54.311 16.717 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.084 -52.839 17.353 1.00 0.00 H new ATOM 0 HE ARG A 31 23.401 -52.124 14.922 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.729 -54.148 16.089 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.827 -54.014 14.576 1.00 0.00 H new ATOM 0 HH21 ARG A 31 22.224 -51.993 13.005 1.00 0.00 H new ATOM 0 HH22 ARG A 31 20.664 -52.808 12.851 1.00 0.00 H new ATOM 492 N TRP A 32 25.467 -51.736 20.156 1.00 0.00 N ATOM 493 CA TRP A 32 25.976 -52.293 21.416 1.00 0.00 C ATOM 494 C TRP A 32 26.560 -53.701 21.264 1.00 0.00 C ATOM 495 O TRP A 32 27.674 -53.976 21.711 1.00 0.00 O ATOM 496 CB TRP A 32 24.811 -52.270 22.411 1.00 0.00 C ATOM 497 CG TRP A 32 25.227 -52.653 23.818 1.00 0.00 C ATOM 498 CD1 TRP A 32 24.776 -53.753 24.553 1.00 0.00 C ATOM 499 CD2 TRP A 32 26.065 -51.961 24.655 1.00 0.00 C ATOM 500 NE1 TRP A 32 25.337 -53.757 25.839 1.00 0.00 N ATOM 501 CE2 TRP A 32 26.125 -52.616 25.855 1.00 0.00 C ATOM 502 CE3 TRP A 32 26.739 -50.811 24.443 1.00 0.00 C ATOM 503 CZ2 TRP A 32 26.866 -52.121 26.874 1.00 0.00 C ATOM 504 CZ3 TRP A 32 27.486 -50.315 25.465 1.00 0.00 C ATOM 505 CH2 TRP A 32 27.548 -50.962 26.666 1.00 0.00 C ATOM 0 H TRP A 32 24.468 -51.529 20.147 1.00 0.00 H new ATOM 0 HA TRP A 32 26.811 -51.689 21.770 1.00 0.00 H new ATOM 0 HB2 TRP A 32 24.373 -51.272 22.426 1.00 0.00 H new ATOM 0 HB3 TRP A 32 24.034 -52.954 22.069 1.00 0.00 H new ATOM 0 HD1 TRP A 32 24.089 -54.499 24.181 1.00 0.00 H new ATOM 0 HE1 TRP A 32 25.198 -54.438 26.586 1.00 0.00 H new ATOM 0 HE3 TRP A 32 26.687 -50.301 23.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 26.915 -52.631 27.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 28.038 -49.397 25.325 1.00 0.00 H new ATOM 0 HH2 TRP A 32 28.148 -50.547 27.463 1.00 0.00 H new ATOM 516 N ARG A 33 25.808 -54.599 20.646 1.00 0.00 N ATOM 517 CA ARG A 33 26.272 -55.989 20.521 1.00 0.00 C ATOM 518 C ARG A 33 26.824 -56.310 19.123 1.00 0.00 C ATOM 519 O ARG A 33 26.888 -57.478 18.741 1.00 0.00 O ATOM 520 CB ARG A 33 25.102 -56.928 20.850 1.00 0.00 C ATOM 521 CG ARG A 33 24.618 -56.768 22.295 1.00 0.00 C ATOM 522 CD ARG A 33 23.425 -57.679 22.588 1.00 0.00 C ATOM 523 NE ARG A 33 22.941 -57.427 23.952 1.00 0.00 N ATOM 524 CZ ARG A 33 22.094 -58.259 24.545 1.00 0.00 C ATOM 525 NH1 ARG A 33 21.645 -59.340 23.933 1.00 0.00 N ATOM 526 NH2 ARG A 33 21.690 -57.999 25.771 1.00 0.00 N ATOM 0 H ARG A 33 24.896 -54.407 20.230 1.00 0.00 H new ATOM 0 HA ARG A 33 27.095 -56.132 21.221 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.276 -56.728 20.168 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.410 -57.960 20.684 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.432 -57.001 22.981 1.00 0.00 H new ATOM 0 HG3 ARG A 33 24.338 -55.730 22.474 1.00 0.00 H new ATOM 0 HD2 ARG A 33 22.628 -57.495 21.868 1.00 0.00 H new ATOM 0 HD3 ARG A 33 23.717 -58.724 22.481 1.00 0.00 H new ATOM 0 HE ARG A 33 23.262 -56.598 24.452 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.949 -59.551 22.983 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.994 -59.964 24.411 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.028 -57.166 26.253 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.039 -58.630 26.238 1.00 0.00 H new ATOM 540 N TRP A 34 27.235 -55.312 18.344 1.00 0.00 N ATOM 541 CA TRP A 34 27.809 -55.606 17.021 1.00 0.00 C ATOM 542 C TRP A 34 29.258 -55.117 16.950 1.00 0.00 C ATOM 543 O TRP A 34 29.731 -54.323 17.764 1.00 0.00 O ATOM 544 CB TRP A 34 27.001 -54.928 15.906 1.00 0.00 C ATOM 545 CG TRP A 34 25.668 -55.578 15.574 1.00 0.00 C ATOM 546 CD1 TRP A 34 24.810 -56.309 16.407 1.00 0.00 C ATOM 547 CD2 TRP A 34 25.046 -55.538 14.349 1.00 0.00 C ATOM 548 NE1 TRP A 34 23.670 -56.726 15.707 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.861 -56.215 14.433 1.00 0.00 C ATOM 550 CE3 TRP A 34 25.446 -54.956 13.196 1.00 0.00 C ATOM 551 CZ2 TRP A 34 23.043 -56.311 13.357 1.00 0.00 C ATOM 552 CZ3 TRP A 34 24.628 -55.057 12.116 1.00 0.00 C ATOM 553 CH2 TRP A 34 23.441 -55.725 12.196 1.00 0.00 C ATOM 0 H TRP A 34 27.187 -54.323 18.588 1.00 0.00 H new ATOM 0 HA TRP A 34 27.775 -56.686 16.879 1.00 0.00 H new ATOM 0 HB2 TRP A 34 26.819 -53.892 16.192 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.610 -54.907 15.002 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.002 -56.522 17.448 1.00 0.00 H new ATOM 0 HE1 TRP A 34 22.884 -57.276 16.054 1.00 0.00 H new ATOM 0 HE3 TRP A 34 26.386 -54.428 13.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 22.102 -56.838 13.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 24.921 -54.602 11.181 1.00 0.00 H new ATOM 0 HH2 TRP A 34 22.808 -55.789 11.324 1.00 0.00 H new ATOM 564 N LYS A 35 29.963 -55.611 15.941 1.00 0.00 N ATOM 565 CA LYS A 35 31.378 -55.265 15.769 1.00 0.00 C ATOM 566 C LYS A 35 31.668 -54.874 14.313 1.00 0.00 C ATOM 567 O LYS A 35 30.800 -54.932 13.442 1.00 0.00 O ATOM 568 CB LYS A 35 32.221 -56.486 16.169 1.00 0.00 C ATOM 569 CG LYS A 35 31.909 -57.740 15.338 1.00 0.00 C ATOM 570 CD LYS A 35 33.069 -58.736 15.346 1.00 0.00 C ATOM 571 CE LYS A 35 33.394 -59.256 16.746 1.00 0.00 C ATOM 572 NZ LYS A 35 34.563 -60.149 16.658 1.00 0.00 N ATOM 0 H LYS A 35 29.590 -56.245 15.235 1.00 0.00 H new ATOM 0 HA LYS A 35 31.628 -54.411 16.398 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.277 -56.240 16.060 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.052 -56.706 17.223 1.00 0.00 H new ATOM 0 HG2 LYS A 35 31.014 -58.222 15.732 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.688 -57.449 14.311 1.00 0.00 H new ATOM 0 HD2 LYS A 35 32.823 -59.578 14.699 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.954 -58.259 14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.603 -58.424 17.419 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.539 -59.792 17.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.401 -60.992 17.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 34.705 -60.438 15.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 35.409 -59.648 16.997 1.00 0.00 H new ATOM 586 N CYS A 36 32.917 -54.514 14.035 1.00 0.00 N ATOM 587 CA CYS A 36 33.341 -54.338 12.640 1.00 0.00 C ATOM 588 C CYS A 36 34.457 -55.330 12.310 1.00 0.00 C ATOM 589 O CYS A 36 35.306 -55.654 13.140 1.00 0.00 O ATOM 590 CB CYS A 36 33.820 -52.904 12.410 1.00 0.00 C ATOM 591 SG CYS A 36 32.383 -51.865 12.112 1.00 0.00 S ATOM 0 H CYS A 36 33.641 -54.341 14.733 1.00 0.00 H new ATOM 0 HA CYS A 36 32.492 -54.528 11.983 1.00 0.00 H new ATOM 0 HB2 CYS A 36 34.373 -52.545 13.278 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.500 -52.863 11.559 1.00 0.00 H new ATOM 596 N CYS A 37 34.456 -55.807 11.072 1.00 0.00 N ATOM 597 CA CYS A 37 35.510 -56.733 10.639 1.00 0.00 C ATOM 598 C CYS A 37 35.904 -56.429 9.196 1.00 0.00 C ATOM 599 O CYS A 37 35.067 -56.138 8.340 1.00 0.00 O ATOM 600 CB CYS A 37 34.991 -58.167 10.736 1.00 0.00 C ATOM 601 SG CYS A 37 36.244 -59.329 10.164 1.00 0.00 S ATOM 0 H CYS A 37 33.760 -55.580 10.362 1.00 0.00 H new ATOM 0 HA CYS A 37 36.383 -56.614 11.280 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.720 -58.393 11.767 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.086 -58.274 10.138 1.00 0.00 H new ATOM 606 N LYS A 38 37.196 -56.528 8.916 1.00 0.00 N ATOM 607 CA LYS A 38 37.658 -56.342 7.535 1.00 0.00 C ATOM 608 C LYS A 38 37.727 -57.704 6.837 1.00 0.00 C ATOM 609 O LYS A 38 38.758 -58.378 6.851 1.00 0.00 O ATOM 610 CB LYS A 38 39.023 -55.646 7.563 1.00 0.00 C ATOM 611 CG LYS A 38 39.516 -55.319 6.151 1.00 0.00 C ATOM 612 CD LYS A 38 40.875 -54.616 6.197 1.00 0.00 C ATOM 613 CE LYS A 38 41.416 -54.321 4.796 1.00 0.00 C ATOM 614 NZ LYS A 38 41.728 -55.574 4.086 1.00 0.00 N ATOM 0 H LYS A 38 37.928 -56.729 9.598 1.00 0.00 H new ATOM 0 HA LYS A 38 36.965 -55.715 6.973 1.00 0.00 H new ATOM 0 HB2 LYS A 38 38.952 -54.728 8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.749 -56.287 8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 38 39.596 -56.236 5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 38 38.789 -54.682 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 38 40.782 -53.683 6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 38 41.588 -55.240 6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 38 40.681 -53.749 4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 38 42.312 -53.705 4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 42.292 -55.362 3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 42.269 -56.203 4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 40.843 -56.043 3.805 1.00 0.00 H new ATOM 628 N LYS A 39 36.625 -58.117 6.220 1.00 0.00 N ATOM 629 CA LYS A 39 36.610 -59.428 5.555 1.00 0.00 C ATOM 630 C LYS A 39 35.952 -59.366 4.172 1.00 0.00 C ATOM 631 O LYS A 39 36.564 -59.745 3.174 1.00 0.00 O ATOM 632 CB LYS A 39 35.985 -60.477 6.488 1.00 0.00 C ATOM 633 CG LYS A 39 34.504 -60.244 6.814 1.00 0.00 C ATOM 634 CD LYS A 39 34.046 -61.094 8.002 1.00 0.00 C ATOM 635 CE LYS A 39 34.163 -62.604 7.767 1.00 0.00 C ATOM 636 NZ LYS A 39 33.260 -63.038 6.685 1.00 0.00 N ATOM 0 H LYS A 39 35.755 -57.588 6.163 1.00 0.00 H new ATOM 0 HA LYS A 39 37.636 -59.738 5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 39 36.092 -61.460 6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 39 36.549 -60.497 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 39 34.342 -59.189 7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 39 33.897 -60.482 5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 39 34.637 -60.826 8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 39 33.008 -60.851 8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 39 35.192 -62.858 7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 39 33.921 -63.139 8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 33.306 -64.073 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 32.285 -62.754 6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 33.551 -62.594 5.791 1.00 0.00 H new ATOM 650 N GLY A 40 34.714 -58.895 4.088 1.00 0.00 N ATOM 651 CA GLY A 40 34.049 -58.831 2.782 1.00 0.00 C ATOM 652 C GLY A 40 32.552 -58.577 2.935 1.00 0.00 C ATOM 653 O GLY A 40 32.129 -57.566 3.496 1.00 0.00 O ATOM 0 H GLY A 40 34.161 -58.561 4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 40 34.495 -58.038 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 40 34.209 -59.765 2.244 1.00 0.00 H new ATOM 657 N SER A 41 31.741 -59.489 2.412 1.00 0.00 N ATOM 658 CA SER A 41 30.286 -59.275 2.424 1.00 0.00 C ATOM 659 C SER A 41 29.618 -59.877 3.664 1.00 0.00 C ATOM 660 O SER A 41 28.812 -59.222 4.325 1.00 0.00 O ATOM 661 CB SER A 41 29.683 -59.839 1.132 1.00 0.00 C ATOM 662 OG SER A 41 29.814 -61.254 1.084 1.00 0.00 O ATOM 0 H SER A 41 32.047 -60.363 1.984 1.00 0.00 H new ATOM 0 HA SER A 41 30.097 -58.203 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 41 28.630 -59.565 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 41 30.181 -59.395 0.270 1.00 0.00 H new ATOM 0 HG SER A 41 29.421 -61.591 0.252 1.00 0.00 H new ATOM 668 N GLY A 42 29.932 -61.129 3.976 1.00 0.00 N ATOM 669 CA GLY A 42 29.307 -61.787 5.128 1.00 0.00 C ATOM 670 C GLY A 42 30.326 -62.649 5.858 1.00 0.00 C ATOM 671 O GLY A 42 30.563 -62.416 7.063 1.00 0.00 O ATOM 672 OXT GLY A 42 30.901 -63.566 5.234 1.00 0.00 O ATOM 0 H GLY A 42 30.601 -61.703 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 42 28.900 -61.038 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 42 28.471 -62.402 4.795 1.00 0.00 H new TER 676 GLY A 42