USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 420 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 26 SER OG : rot 120:sc= -1.37 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -161:sc= 0.178 (180deg=0) USER MOD Set 2.1: A 21 TYR OH : rot -122:sc= 0.817 USER MOD Set 2.2: A 40 ASN : amide:sc= -1.76 K(o=-2.3,f=-1.1) USER MOD Set 2.3: A 43 ASN : amide:sc= -1.38 K(o=-2.3,f=-1.2) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -2.38 X(o=-2.4,f=-2.4) USER MOD Single : A 8 SER OG : rot 115:sc= -0.127 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 165:sc= -0.0123 USER MOD Single : A 23 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.7!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 30:sc= -0.835 USER MOD Single : A 41 SER OG : rot -36:sc=-0.000343 USER MOD Single : A 42 ASN : amide:sc= -3.01 X(o=-3,f=-3.1) USER MOD Single : A 46 THR OG1 : rot -89:sc= -1.3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.371 K(o=-0.37,f=-4.8!) USER MOD Single : A 58 SER OG : rot -139:sc= -0.447 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.036 -1.999 -0.739 1.00 24.44 N ATOM 2 CA LYS A 1 0.894 -1.540 -1.764 1.00 75.42 C ATOM 3 C LYS A 1 0.279 -1.674 -3.154 1.00 1.10 C ATOM 4 O LYS A 1 0.774 -2.426 -3.994 1.00 24.14 O ATOM 5 CB LYS A 1 2.198 -2.337 -1.693 1.00 62.01 C ATOM 6 CG LYS A 1 3.304 -1.772 -2.568 1.00 21.42 C ATOM 7 CD LYS A 1 4.502 -1.336 -1.740 1.00 72.54 C ATOM 8 CE LYS A 1 4.230 -0.029 -1.012 1.00 71.11 C ATOM 9 NZ LYS A 1 4.788 -0.037 0.368 1.00 2.24 N ATOM 0 H1 LYS A 1 0.403 -1.899 0.198 1.00 24.44 H new ATOM 0 H2 LYS A 1 -0.904 -1.428 -0.777 1.00 24.44 H new ATOM 0 H3 LYS A 1 -0.271 -2.998 -0.906 1.00 24.44 H new ATOM 0 HA LYS A 1 1.109 -0.487 -1.580 1.00 75.42 H new ATOM 0 HB2 LYS A 1 2.542 -2.364 -0.659 1.00 62.01 H new ATOM 0 HB3 LYS A 1 2.001 -3.367 -1.990 1.00 62.01 H new ATOM 0 HG2 LYS A 1 3.616 -2.524 -3.293 1.00 21.42 H new ATOM 0 HG3 LYS A 1 2.923 -0.922 -3.134 1.00 21.42 H new ATOM 0 HD2 LYS A 1 4.747 -2.113 -1.016 1.00 72.54 H new ATOM 0 HD3 LYS A 1 5.370 -1.219 -2.388 1.00 72.54 H new ATOM 0 HE2 LYS A 1 4.664 0.797 -1.575 1.00 71.11 H new ATOM 0 HE3 LYS A 1 3.155 0.145 -0.968 1.00 71.11 H new ATOM 0 HZ1 LYS A 1 4.582 0.871 0.831 1.00 2.24 H new ATOM 0 HZ2 LYS A 1 4.355 -0.810 0.913 1.00 2.24 H new ATOM 0 HZ3 LYS A 1 5.818 -0.178 0.325 1.00 2.24 H new ATOM 23 N LYS A 2 -0.802 -0.939 -3.391 1.00 43.52 N ATOM 24 CA LYS A 2 -1.483 -0.972 -4.680 1.00 62.10 C ATOM 25 C LYS A 2 -0.798 -0.047 -5.681 1.00 74.13 C ATOM 26 O LYS A 2 -1.236 0.079 -6.825 1.00 41.42 O ATOM 27 CB LYS A 2 -2.950 -0.567 -4.516 1.00 25.44 C ATOM 28 CG LYS A 2 -3.822 -0.951 -5.698 1.00 54.30 C ATOM 29 CD LYS A 2 -4.574 -2.246 -5.439 1.00 53.44 C ATOM 30 CE LYS A 2 -6.079 -2.025 -5.435 1.00 12.15 C ATOM 31 NZ LYS A 2 -6.819 -3.253 -5.030 1.00 44.34 N ATOM 0 H LYS A 2 -1.226 -0.313 -2.707 1.00 43.52 H new ATOM 0 HA LYS A 2 -1.435 -1.992 -5.062 1.00 62.10 H new ATOM 0 HB2 LYS A 2 -3.348 -1.033 -3.615 1.00 25.44 H new ATOM 0 HB3 LYS A 2 -3.006 0.512 -4.369 1.00 25.44 H new ATOM 0 HG2 LYS A 2 -4.533 -0.151 -5.902 1.00 54.30 H new ATOM 0 HG3 LYS A 2 -3.202 -1.061 -6.588 1.00 54.30 H new ATOM 0 HD2 LYS A 2 -4.315 -2.978 -6.204 1.00 53.44 H new ATOM 0 HD3 LYS A 2 -4.264 -2.663 -4.481 1.00 53.44 H new ATOM 0 HE2 LYS A 2 -6.325 -1.211 -4.753 1.00 12.15 H new ATOM 0 HE3 LYS A 2 -6.403 -1.717 -6.429 1.00 12.15 H new ATOM 0 HZ1 LYS A 2 -7.841 -3.061 -5.040 1.00 44.34 H new ATOM 0 HZ2 LYS A 2 -6.605 -4.023 -5.696 1.00 44.34 H new ATOM 0 HZ3 LYS A 2 -6.528 -3.533 -4.071 1.00 44.34 H new ATOM 45 N LYS A 3 0.279 0.597 -5.245 1.00 34.14 N ATOM 46 CA LYS A 3 1.026 1.508 -6.103 1.00 1.42 C ATOM 47 C LYS A 3 1.942 0.738 -7.048 1.00 60.31 C ATOM 48 O LYS A 3 2.286 1.221 -8.127 1.00 73.13 O ATOM 49 CB LYS A 3 1.851 2.479 -5.255 1.00 21.04 C ATOM 50 CG LYS A 3 1.011 3.500 -4.508 1.00 55.31 C ATOM 51 CD LYS A 3 1.559 4.907 -4.680 1.00 71.14 C ATOM 52 CE LYS A 3 0.601 5.950 -4.127 1.00 13.42 C ATOM 53 NZ LYS A 3 1.132 7.332 -4.289 1.00 13.25 N ATOM 0 H LYS A 3 0.654 0.505 -4.301 1.00 34.14 H new ATOM 0 HA LYS A 3 0.310 2.074 -6.700 1.00 1.42 H new ATOM 0 HB2 LYS A 3 2.440 1.910 -4.536 1.00 21.04 H new ATOM 0 HB3 LYS A 3 2.556 3.003 -5.900 1.00 21.04 H new ATOM 0 HG2 LYS A 3 -0.016 3.462 -4.870 1.00 55.31 H new ATOM 0 HG3 LYS A 3 0.985 3.246 -3.448 1.00 55.31 H new ATOM 0 HD2 LYS A 3 2.520 4.989 -4.172 1.00 71.14 H new ATOM 0 HD3 LYS A 3 1.739 5.102 -5.737 1.00 71.14 H new ATOM 0 HE2 LYS A 3 -0.359 5.868 -4.637 1.00 13.42 H new ATOM 0 HE3 LYS A 3 0.419 5.752 -3.071 1.00 13.42 H new ATOM 0 HZ1 LYS A 3 0.450 8.014 -3.900 1.00 13.25 H new ATOM 0 HZ2 LYS A 3 2.036 7.418 -3.782 1.00 13.25 H new ATOM 0 HZ3 LYS A 3 1.282 7.530 -5.299 1.00 13.25 H new ATOM 67 N CYS A 4 2.333 -0.464 -6.637 1.00 3.22 N ATOM 68 CA CYS A 4 3.208 -1.302 -7.447 1.00 24.42 C ATOM 69 C CYS A 4 2.426 -1.981 -8.568 1.00 25.01 C ATOM 70 O CYS A 4 3.010 -2.602 -9.456 1.00 54.01 O ATOM 71 CB CYS A 4 3.889 -2.358 -6.574 1.00 23.15 C ATOM 72 SG CYS A 4 2.871 -3.837 -6.265 1.00 3.01 S ATOM 0 H CYS A 4 2.057 -0.879 -5.747 1.00 3.22 H new ATOM 0 HA CYS A 4 3.970 -0.663 -7.894 1.00 24.42 H new ATOM 0 HB2 CYS A 4 4.820 -2.664 -7.052 1.00 23.15 H new ATOM 0 HB3 CYS A 4 4.155 -1.907 -5.618 1.00 23.15 H new ATOM 77 N GLN A 5 1.104 -1.857 -8.519 1.00 21.04 N ATOM 78 CA GLN A 5 0.243 -2.459 -9.530 1.00 13.44 C ATOM 79 C GLN A 5 -0.539 -1.389 -10.285 1.00 33.11 C ATOM 80 O GLN A 5 -1.763 -1.304 -10.172 1.00 1.40 O ATOM 81 CB GLN A 5 -0.724 -3.451 -8.881 1.00 63.42 C ATOM 82 CG GLN A 5 -1.155 -3.053 -7.479 1.00 20.30 C ATOM 83 CD GLN A 5 -2.165 -4.014 -6.884 1.00 71.51 C ATOM 84 OE1 GLN A 5 -3.083 -4.469 -7.567 1.00 32.51 O ATOM 85 NE2 GLN A 5 -2.001 -4.329 -5.605 1.00 22.25 N ATOM 0 H GLN A 5 0.606 -1.345 -7.791 1.00 21.04 H new ATOM 0 HA GLN A 5 0.876 -2.991 -10.241 1.00 13.44 H new ATOM 0 HB2 GLN A 5 -1.609 -3.547 -9.510 1.00 63.42 H new ATOM 0 HB3 GLN A 5 -0.252 -4.433 -8.842 1.00 63.42 H new ATOM 0 HG2 GLN A 5 -0.278 -3.007 -6.833 1.00 20.30 H new ATOM 0 HG3 GLN A 5 -1.584 -2.051 -7.506 1.00 20.30 H new ATOM 0 HE21 GLN A 5 -1.226 -3.928 -5.076 1.00 22.25 H new ATOM 0 HE22 GLN A 5 -2.650 -4.972 -5.151 1.00 22.25 H new ATOM 94 N LEU A 6 0.174 -0.575 -11.055 1.00 1.23 N ATOM 95 CA LEU A 6 -0.453 0.491 -11.829 1.00 70.53 C ATOM 96 C LEU A 6 -0.364 0.202 -13.324 1.00 65.14 C ATOM 97 O LEU A 6 0.575 -0.434 -13.804 1.00 22.54 O ATOM 98 CB LEU A 6 0.210 1.833 -11.517 1.00 10.21 C ATOM 99 CG LEU A 6 -0.365 2.605 -10.329 1.00 3.33 C ATOM 100 CD1 LEU A 6 -1.615 3.366 -10.741 1.00 52.31 C ATOM 101 CD2 LEU A 6 -0.669 1.660 -9.176 1.00 14.14 C ATOM 0 H LEU A 6 1.187 -0.633 -11.160 1.00 1.23 H new ATOM 0 HA LEU A 6 -1.505 0.539 -11.549 1.00 70.53 H new ATOM 0 HB2 LEU A 6 1.270 1.658 -11.332 1.00 10.21 H new ATOM 0 HB3 LEU A 6 0.141 2.464 -12.403 1.00 10.21 H new ATOM 0 HG LEU A 6 0.380 3.327 -9.994 1.00 3.33 H new ATOM 0 HD11 LEU A 6 -2.010 3.909 -9.882 1.00 52.31 H new ATOM 0 HD12 LEU A 6 -1.367 4.072 -11.534 1.00 52.31 H new ATOM 0 HD13 LEU A 6 -2.366 2.664 -11.103 1.00 52.31 H new ATOM 0 HD21 LEU A 6 -1.077 2.227 -8.339 1.00 14.14 H new ATOM 0 HD22 LEU A 6 -1.396 0.914 -9.499 1.00 14.14 H new ATOM 0 HD23 LEU A 6 0.248 1.161 -8.863 1.00 14.14 H new ATOM 113 N PRO A 7 -1.362 0.682 -14.081 1.00 23.02 N ATOM 114 CA PRO A 7 -1.417 0.490 -15.533 1.00 50.31 C ATOM 115 C PRO A 7 -0.346 1.292 -16.265 1.00 21.22 C ATOM 116 O PRO A 7 0.558 1.851 -15.643 1.00 75.02 O ATOM 117 CB PRO A 7 -2.812 0.998 -15.905 1.00 13.20 C ATOM 118 CG PRO A 7 -3.161 1.969 -14.830 1.00 50.01 C ATOM 119 CD PRO A 7 -2.513 1.449 -13.577 1.00 1.53 C ATOM 0 HA PRO A 7 -1.237 -0.548 -15.814 1.00 50.31 H new ATOM 0 HB2 PRO A 7 -2.811 1.476 -16.885 1.00 13.20 H new ATOM 0 HB3 PRO A 7 -3.532 0.181 -15.949 1.00 13.20 H new ATOM 0 HG2 PRO A 7 -2.797 2.967 -15.072 1.00 50.01 H new ATOM 0 HG3 PRO A 7 -4.242 2.045 -14.708 1.00 50.01 H new ATOM 0 HD2 PRO A 7 -2.199 2.261 -12.921 1.00 1.53 H new ATOM 0 HD3 PRO A 7 -3.194 0.821 -13.003 1.00 1.53 H new ATOM 127 N SER A 8 -0.453 1.344 -17.589 1.00 31.33 N ATOM 128 CA SER A 8 0.509 2.074 -18.405 1.00 52.44 C ATOM 129 C SER A 8 -0.042 3.441 -18.801 1.00 3.32 C ATOM 130 O SER A 8 -1.247 3.681 -18.730 1.00 12.41 O ATOM 131 CB SER A 8 0.859 1.271 -19.659 1.00 44.14 C ATOM 132 OG SER A 8 1.363 2.114 -20.681 1.00 53.31 O ATOM 0 H SER A 8 -1.196 0.889 -18.119 1.00 31.33 H new ATOM 0 HA SER A 8 1.412 2.222 -17.813 1.00 52.44 H new ATOM 0 HB2 SER A 8 1.600 0.510 -19.412 1.00 44.14 H new ATOM 0 HB3 SER A 8 -0.027 0.748 -20.019 1.00 44.14 H new ATOM 0 HG SER A 8 2.298 1.885 -20.862 1.00 53.31 H new ATOM 138 N ASP A 9 0.850 4.333 -19.217 1.00 3.30 N ATOM 139 CA ASP A 9 0.455 5.677 -19.625 1.00 64.50 C ATOM 140 C ASP A 9 1.656 6.462 -20.143 1.00 41.20 C ATOM 141 O ASP A 9 2.662 6.608 -19.449 1.00 24.40 O ATOM 142 CB ASP A 9 -0.189 6.420 -18.454 1.00 32.42 C ATOM 143 CG ASP A 9 -1.351 7.290 -18.890 1.00 35.03 C ATOM 144 OD1 ASP A 9 -2.181 6.813 -19.692 1.00 11.22 O ATOM 145 OD2 ASP A 9 -1.431 8.448 -18.429 1.00 50.43 O ATOM 0 H ASP A 9 1.851 4.150 -19.281 1.00 3.30 H new ATOM 0 HA ASP A 9 -0.273 5.586 -20.431 1.00 64.50 H new ATOM 0 HB2 ASP A 9 -0.537 5.697 -17.716 1.00 32.42 H new ATOM 0 HB3 ASP A 9 0.562 7.040 -17.964 1.00 32.42 H new ATOM 150 N VAL A 10 1.543 6.966 -21.368 1.00 3.21 N ATOM 151 CA VAL A 10 2.619 7.737 -21.979 1.00 43.13 C ATOM 152 C VAL A 10 2.318 9.231 -21.936 1.00 61.14 C ATOM 153 O VAL A 10 3.224 10.054 -21.814 1.00 40.30 O ATOM 154 CB VAL A 10 2.852 7.313 -23.442 1.00 3.43 C ATOM 155 CG1 VAL A 10 1.678 7.733 -24.313 1.00 44.41 C ATOM 156 CG2 VAL A 10 4.153 7.902 -23.966 1.00 4.13 C ATOM 0 H VAL A 10 0.717 6.854 -21.956 1.00 3.21 H new ATOM 0 HA VAL A 10 3.521 7.535 -21.401 1.00 43.13 H new ATOM 0 HB VAL A 10 2.931 6.226 -23.479 1.00 3.43 H new ATOM 0 HG11 VAL A 10 1.860 7.425 -25.343 1.00 44.41 H new ATOM 0 HG12 VAL A 10 0.767 7.259 -23.949 1.00 44.41 H new ATOM 0 HG13 VAL A 10 1.564 8.816 -24.273 1.00 44.41 H new ATOM 0 HG21 VAL A 10 4.302 7.593 -25.000 1.00 4.13 H new ATOM 0 HG22 VAL A 10 4.106 8.990 -23.916 1.00 4.13 H new ATOM 0 HG23 VAL A 10 4.985 7.546 -23.358 1.00 4.13 H new ATOM 166 N GLY A 11 1.037 9.574 -22.038 1.00 5.25 N ATOM 167 CA GLY A 11 0.639 10.969 -22.008 1.00 11.32 C ATOM 168 C GLY A 11 1.411 11.814 -23.002 1.00 11.23 C ATOM 169 O GLY A 11 1.944 11.299 -23.985 1.00 34.12 O ATOM 0 H GLY A 11 0.269 8.911 -22.141 1.00 5.25 H new ATOM 0 HA2 GLY A 11 -0.427 11.044 -22.223 1.00 11.32 H new ATOM 0 HA3 GLY A 11 0.791 11.365 -21.004 1.00 11.32 H new ATOM 173 N LYS A 12 1.471 13.117 -22.747 1.00 60.04 N ATOM 174 CA LYS A 12 2.183 14.037 -23.627 1.00 32.41 C ATOM 175 C LYS A 12 3.305 14.747 -22.877 1.00 44.25 C ATOM 176 O LYS A 12 3.271 14.863 -21.653 1.00 41.32 O ATOM 177 CB LYS A 12 1.215 15.067 -24.213 1.00 34.31 C ATOM 178 CG LYS A 12 0.042 15.386 -23.302 1.00 75.33 C ATOM 179 CD LYS A 12 -1.146 14.480 -23.585 1.00 2.53 C ATOM 180 CE LYS A 12 -2.298 14.759 -22.632 1.00 52.30 C ATOM 181 NZ LYS A 12 -3.614 14.732 -23.330 1.00 24.44 N ATOM 0 H LYS A 12 1.035 13.560 -21.938 1.00 60.04 H new ATOM 0 HA LYS A 12 2.622 13.458 -24.439 1.00 32.41 H new ATOM 0 HB2 LYS A 12 1.760 15.987 -24.425 1.00 34.31 H new ATOM 0 HB3 LYS A 12 0.835 14.696 -25.165 1.00 34.31 H new ATOM 0 HG2 LYS A 12 0.347 15.274 -22.262 1.00 75.33 H new ATOM 0 HG3 LYS A 12 -0.252 16.427 -23.437 1.00 75.33 H new ATOM 0 HD2 LYS A 12 -1.479 14.625 -24.613 1.00 2.53 H new ATOM 0 HD3 LYS A 12 -0.840 13.438 -23.493 1.00 2.53 H new ATOM 0 HE2 LYS A 12 -2.296 14.018 -21.833 1.00 52.30 H new ATOM 0 HE3 LYS A 12 -2.155 15.733 -22.164 1.00 52.30 H new ATOM 0 HZ1 LYS A 12 -4.373 14.927 -22.647 1.00 24.44 H new ATOM 0 HZ2 LYS A 12 -3.626 15.456 -24.076 1.00 24.44 H new ATOM 0 HZ3 LYS A 12 -3.762 13.794 -23.755 1.00 24.44 H new ATOM 195 N GLY A 13 4.300 15.223 -23.622 1.00 34.45 N ATOM 196 CA GLY A 13 5.417 15.917 -23.010 1.00 4.12 C ATOM 197 C GLY A 13 6.564 16.135 -23.977 1.00 51.21 C ATOM 198 O GLY A 13 6.445 15.846 -25.168 1.00 4.00 O ATOM 0 H GLY A 13 4.351 15.140 -24.637 1.00 34.45 H new ATOM 0 HA2 GLY A 13 5.078 16.881 -22.630 1.00 4.12 H new ATOM 0 HA3 GLY A 13 5.772 15.344 -22.154 1.00 4.12 H new ATOM 202 N LYS A 14 7.678 16.648 -23.466 1.00 13.52 N ATOM 203 CA LYS A 14 8.851 16.906 -24.292 1.00 3.33 C ATOM 204 C LYS A 14 9.907 15.824 -24.090 1.00 21.01 C ATOM 205 O LYS A 14 10.853 15.713 -24.869 1.00 52.34 O ATOM 206 CB LYS A 14 9.442 18.278 -23.960 1.00 4.40 C ATOM 207 CG LYS A 14 8.502 19.434 -24.258 1.00 24.34 C ATOM 208 CD LYS A 14 7.565 19.704 -23.093 1.00 10.22 C ATOM 209 CE LYS A 14 6.824 21.021 -23.268 1.00 74.40 C ATOM 210 NZ LYS A 14 7.496 22.136 -22.546 1.00 41.24 N ATOM 0 H LYS A 14 7.793 16.893 -22.483 1.00 13.52 H new ATOM 0 HA LYS A 14 8.539 16.894 -25.336 1.00 3.33 H new ATOM 0 HB2 LYS A 14 9.711 18.302 -22.904 1.00 4.40 H new ATOM 0 HB3 LYS A 14 10.363 18.414 -24.527 1.00 4.40 H new ATOM 0 HG2 LYS A 14 9.083 20.330 -24.474 1.00 24.34 H new ATOM 0 HG3 LYS A 14 7.919 19.209 -25.151 1.00 24.34 H new ATOM 0 HD2 LYS A 14 6.846 18.889 -23.007 1.00 10.22 H new ATOM 0 HD3 LYS A 14 8.135 19.726 -22.164 1.00 10.22 H new ATOM 0 HE2 LYS A 14 6.759 21.263 -24.329 1.00 74.40 H new ATOM 0 HE3 LYS A 14 5.803 20.915 -22.902 1.00 74.40 H new ATOM 0 HZ1 LYS A 14 6.960 23.016 -22.690 1.00 41.24 H new ATOM 0 HZ2 LYS A 14 7.536 21.918 -21.530 1.00 41.24 H new ATOM 0 HZ3 LYS A 14 8.462 22.255 -22.913 1.00 41.24 H new ATOM 224 N ALA A 15 9.738 15.027 -23.040 1.00 12.12 N ATOM 225 CA ALA A 15 10.674 13.952 -22.738 1.00 62.43 C ATOM 226 C ALA A 15 10.480 12.773 -23.686 1.00 31.21 C ATOM 227 O ALA A 15 9.384 12.553 -24.202 1.00 21.23 O ATOM 228 CB ALA A 15 10.514 13.502 -21.294 1.00 20.24 C ATOM 0 H ALA A 15 8.961 15.106 -22.384 1.00 12.12 H new ATOM 0 HA ALA A 15 11.685 14.335 -22.877 1.00 62.43 H new ATOM 0 HB1 ALA A 15 11.220 12.699 -21.083 1.00 20.24 H new ATOM 0 HB2 ALA A 15 10.710 14.342 -20.627 1.00 20.24 H new ATOM 0 HB3 ALA A 15 9.497 13.143 -21.135 1.00 20.24 H new ATOM 234 N SER A 16 11.551 12.018 -23.911 1.00 75.04 N ATOM 235 CA SER A 16 11.498 10.864 -24.801 1.00 64.21 C ATOM 236 C SER A 16 12.230 9.673 -24.189 1.00 73.23 C ATOM 237 O SER A 16 12.899 8.914 -24.890 1.00 65.12 O ATOM 238 CB SER A 16 12.113 11.211 -26.158 1.00 53.45 C ATOM 239 OG SER A 16 11.307 10.731 -27.221 1.00 25.22 O ATOM 0 H SER A 16 12.465 12.185 -23.490 1.00 75.04 H new ATOM 0 HA SER A 16 10.452 10.593 -24.943 1.00 64.21 H new ATOM 0 HB2 SER A 16 12.227 12.292 -26.243 1.00 53.45 H new ATOM 0 HB3 SER A 16 13.111 10.778 -26.230 1.00 53.45 H new ATOM 0 HG SER A 16 11.721 10.967 -28.078 1.00 25.22 H new ATOM 245 N PHE A 17 12.096 9.515 -22.876 1.00 42.45 N ATOM 246 CA PHE A 17 12.745 8.418 -22.168 1.00 75.12 C ATOM 247 C PHE A 17 11.736 7.330 -21.812 1.00 30.34 C ATOM 248 O PHE A 17 10.594 7.618 -21.451 1.00 42.34 O ATOM 249 CB PHE A 17 13.426 8.934 -20.899 1.00 34.42 C ATOM 250 CG PHE A 17 14.391 7.954 -20.296 1.00 63.43 C ATOM 251 CD1 PHE A 17 13.945 6.956 -19.444 1.00 45.13 C ATOM 252 CD2 PHE A 17 15.745 8.030 -20.582 1.00 0.45 C ATOM 253 CE1 PHE A 17 14.831 6.052 -18.888 1.00 44.43 C ATOM 254 CE2 PHE A 17 16.636 7.129 -20.029 1.00 15.30 C ATOM 255 CZ PHE A 17 16.178 6.140 -19.180 1.00 64.04 C ATOM 0 H PHE A 17 11.544 10.133 -22.281 1.00 42.45 H new ATOM 0 HA PHE A 17 13.500 7.988 -22.827 1.00 75.12 H new ATOM 0 HB2 PHE A 17 13.956 9.858 -21.131 1.00 34.42 H new ATOM 0 HB3 PHE A 17 12.663 9.181 -20.161 1.00 34.42 H new ATOM 0 HD1 PHE A 17 12.893 6.884 -19.212 1.00 45.13 H new ATOM 0 HD2 PHE A 17 16.108 8.802 -21.244 1.00 0.45 H new ATOM 0 HE1 PHE A 17 14.470 5.278 -18.226 1.00 44.43 H new ATOM 0 HE2 PHE A 17 17.689 7.198 -20.260 1.00 15.30 H new ATOM 0 HZ PHE A 17 16.873 5.436 -18.745 1.00 64.04 H new ATOM 265 N THR A 18 12.166 6.076 -21.915 1.00 72.11 N ATOM 266 CA THR A 18 11.302 4.944 -21.606 1.00 34.32 C ATOM 267 C THR A 18 11.429 4.538 -20.142 1.00 2.51 C ATOM 268 O THR A 18 12.535 4.440 -19.610 1.00 31.35 O ATOM 269 CB THR A 18 11.629 3.728 -22.494 1.00 11.24 C ATOM 270 OG1 THR A 18 10.765 2.635 -22.165 1.00 21.43 O ATOM 271 CG2 THR A 18 13.080 3.305 -22.319 1.00 13.51 C ATOM 0 H THR A 18 13.108 5.819 -22.210 1.00 72.11 H new ATOM 0 HA THR A 18 10.279 5.265 -21.804 1.00 34.32 H new ATOM 0 HB THR A 18 11.473 4.013 -23.534 1.00 11.24 H new ATOM 0 HG1 THR A 18 10.978 1.867 -22.735 1.00 21.43 H new ATOM 0 HG21 THR A 18 13.288 2.445 -22.956 1.00 13.51 H new ATOM 0 HG22 THR A 18 13.736 4.130 -22.598 1.00 13.51 H new ATOM 0 HG23 THR A 18 13.258 3.037 -21.278 1.00 13.51 H new ATOM 279 N ARG A 19 10.291 4.304 -19.496 1.00 45.22 N ATOM 280 CA ARG A 19 10.277 3.910 -18.093 1.00 33.23 C ATOM 281 C ARG A 19 9.695 2.509 -17.928 1.00 14.02 C ATOM 282 O ARG A 19 8.990 2.011 -18.806 1.00 50.12 O ATOM 283 CB ARG A 19 9.466 4.911 -17.268 1.00 53.11 C ATOM 284 CG ARG A 19 9.774 6.363 -17.597 1.00 71.45 C ATOM 285 CD ARG A 19 11.171 6.753 -17.140 1.00 54.12 C ATOM 286 NE ARG A 19 11.463 8.158 -17.412 1.00 14.03 N ATOM 287 CZ ARG A 19 11.039 9.158 -16.646 1.00 61.15 C ATOM 288 NH1 ARG A 19 10.309 8.909 -15.568 1.00 63.50 N ATOM 289 NH2 ARG A 19 11.346 10.410 -16.959 1.00 41.33 N ATOM 0 H ARG A 19 9.367 4.381 -19.922 1.00 45.22 H new ATOM 0 HA ARG A 19 11.306 3.902 -17.733 1.00 33.23 H new ATOM 0 HB2 ARG A 19 8.404 4.728 -17.431 1.00 53.11 H new ATOM 0 HB3 ARG A 19 9.660 4.738 -16.209 1.00 53.11 H new ATOM 0 HG2 ARG A 19 9.684 6.521 -18.672 1.00 71.45 H new ATOM 0 HG3 ARG A 19 9.039 7.010 -17.117 1.00 71.45 H new ATOM 0 HD2 ARG A 19 11.269 6.563 -16.071 1.00 54.12 H new ATOM 0 HD3 ARG A 19 11.906 6.126 -17.644 1.00 54.12 H new ATOM 0 HE ARG A 19 12.023 8.384 -18.234 1.00 14.03 H new ATOM 0 HH11 ARG A 19 10.071 7.948 -15.324 1.00 63.50 H new ATOM 0 HH12 ARG A 19 9.985 9.679 -14.982 1.00 63.50 H new ATOM 0 HH21 ARG A 19 11.908 10.605 -17.788 1.00 41.33 H new ATOM 0 HH22 ARG A 19 11.020 11.177 -16.371 1.00 41.33 H new ATOM 303 N TYR A 20 9.994 1.879 -16.798 1.00 24.15 N ATOM 304 CA TYR A 20 9.504 0.535 -16.519 1.00 33.45 C ATOM 305 C TYR A 20 8.291 0.578 -15.594 1.00 54.33 C ATOM 306 O TYR A 20 8.154 1.485 -14.773 1.00 1.21 O ATOM 307 CB TYR A 20 10.609 -0.314 -15.888 1.00 1.13 C ATOM 308 CG TYR A 20 11.676 -0.744 -16.869 1.00 23.35 C ATOM 309 CD1 TYR A 20 12.452 0.195 -17.537 1.00 61.23 C ATOM 310 CD2 TYR A 20 11.908 -2.089 -17.127 1.00 63.43 C ATOM 311 CE1 TYR A 20 13.428 -0.194 -18.435 1.00 11.41 C ATOM 312 CE2 TYR A 20 12.883 -2.487 -18.022 1.00 52.00 C ATOM 313 CZ TYR A 20 13.640 -1.536 -18.673 1.00 52.54 C ATOM 314 OH TYR A 20 14.611 -1.927 -19.566 1.00 75.55 O ATOM 0 H TYR A 20 10.574 2.278 -16.060 1.00 24.15 H new ATOM 0 HA TYR A 20 9.203 0.083 -17.464 1.00 33.45 H new ATOM 0 HB2 TYR A 20 11.075 0.252 -15.082 1.00 1.13 H new ATOM 0 HB3 TYR A 20 10.162 -1.201 -15.438 1.00 1.13 H new ATOM 0 HD1 TYR A 20 12.290 1.247 -17.351 1.00 61.23 H new ATOM 0 HD2 TYR A 20 11.316 -2.837 -16.620 1.00 63.43 H new ATOM 0 HE1 TYR A 20 14.021 0.549 -18.948 1.00 11.41 H new ATOM 0 HE2 TYR A 20 13.051 -3.537 -18.210 1.00 52.00 H new ATOM 0 HH TYR A 20 14.633 -2.905 -19.618 1.00 75.55 H new ATOM 324 N TYR A 21 7.413 -0.409 -15.735 1.00 13.45 N ATOM 325 CA TYR A 21 6.210 -0.484 -14.914 1.00 55.54 C ATOM 326 C TYR A 21 5.986 -1.903 -14.403 1.00 63.50 C ATOM 327 O TYR A 21 6.337 -2.878 -15.069 1.00 55.24 O ATOM 328 CB TYR A 21 4.991 -0.021 -15.715 1.00 44.53 C ATOM 329 CG TYR A 21 4.663 1.443 -15.526 1.00 14.13 C ATOM 330 CD1 TYR A 21 5.584 2.430 -15.852 1.00 52.51 C ATOM 331 CD2 TYR A 21 3.430 1.838 -15.021 1.00 11.43 C ATOM 332 CE1 TYR A 21 5.288 3.769 -15.680 1.00 32.33 C ATOM 333 CE2 TYR A 21 3.125 3.174 -14.846 1.00 54.43 C ATOM 334 CZ TYR A 21 4.057 4.136 -15.177 1.00 30.33 C ATOM 335 OH TYR A 21 3.758 5.468 -15.005 1.00 33.22 O ATOM 0 H TYR A 21 7.512 -1.168 -16.410 1.00 13.45 H new ATOM 0 HA TYR A 21 6.345 0.175 -14.056 1.00 55.54 H new ATOM 0 HB2 TYR A 21 5.169 -0.211 -16.773 1.00 44.53 H new ATOM 0 HB3 TYR A 21 4.127 -0.619 -15.424 1.00 44.53 H new ATOM 0 HD1 TYR A 21 6.548 2.146 -16.247 1.00 52.51 H new ATOM 0 HD2 TYR A 21 2.698 1.088 -14.761 1.00 11.43 H new ATOM 0 HE1 TYR A 21 6.016 4.524 -15.938 1.00 32.33 H new ATOM 0 HE2 TYR A 21 2.162 3.464 -14.452 1.00 54.43 H new ATOM 0 HH TYR A 21 3.528 5.633 -14.067 1.00 33.22 H new ATOM 345 N TYR A 22 5.400 -2.012 -13.216 1.00 23.21 N ATOM 346 CA TYR A 22 5.131 -3.312 -12.613 1.00 30.03 C ATOM 347 C TYR A 22 3.631 -3.532 -12.440 1.00 62.20 C ATOM 348 O TYR A 22 2.901 -2.624 -12.046 1.00 73.12 O ATOM 349 CB TYR A 22 5.834 -3.425 -11.259 1.00 15.23 C ATOM 350 CG TYR A 22 5.908 -4.840 -10.731 1.00 43.23 C ATOM 351 CD1 TYR A 22 4.763 -5.510 -10.320 1.00 13.13 C ATOM 352 CD2 TYR A 22 7.124 -5.506 -10.644 1.00 21.44 C ATOM 353 CE1 TYR A 22 4.826 -6.803 -9.836 1.00 40.44 C ATOM 354 CE2 TYR A 22 7.197 -6.800 -10.163 1.00 53.51 C ATOM 355 CZ TYR A 22 6.045 -7.443 -9.761 1.00 21.24 C ATOM 356 OH TYR A 22 6.113 -8.731 -9.280 1.00 5.20 O ATOM 0 H TYR A 22 5.102 -1.216 -12.652 1.00 23.21 H new ATOM 0 HA TYR A 22 5.518 -4.081 -13.281 1.00 30.03 H new ATOM 0 HB2 TYR A 22 6.845 -3.027 -11.349 1.00 15.23 H new ATOM 0 HB3 TYR A 22 5.310 -2.803 -10.534 1.00 15.23 H new ATOM 0 HD1 TYR A 22 3.807 -5.012 -10.380 1.00 13.13 H new ATOM 0 HD2 TYR A 22 8.028 -5.004 -10.957 1.00 21.44 H new ATOM 0 HE1 TYR A 22 3.926 -7.309 -9.519 1.00 40.44 H new ATOM 0 HE2 TYR A 22 8.150 -7.304 -10.102 1.00 53.51 H new ATOM 0 HH TYR A 22 6.983 -9.120 -9.509 1.00 5.20 H new ATOM 366 N ASN A 23 3.180 -4.746 -12.737 1.00 71.55 N ATOM 367 CA ASN A 23 1.767 -5.088 -12.616 1.00 3.05 C ATOM 368 C ASN A 23 1.590 -6.424 -11.901 1.00 25.23 C ATOM 369 O ASN A 23 2.417 -7.325 -12.036 1.00 63.31 O ATOM 370 CB ASN A 23 1.114 -5.146 -13.998 1.00 0.12 C ATOM 371 CG ASN A 23 2.089 -5.564 -15.081 1.00 44.12 C ATOM 372 OD1 ASN A 23 2.327 -6.753 -15.293 1.00 22.23 O ATOM 373 ND2 ASN A 23 2.660 -4.585 -15.774 1.00 13.35 N ATOM 0 H ASN A 23 3.772 -5.510 -13.063 1.00 71.55 H new ATOM 0 HA ASN A 23 1.281 -4.312 -12.025 1.00 3.05 H new ATOM 0 HB2 ASN A 23 0.280 -5.847 -13.974 1.00 0.12 H new ATOM 0 HB3 ASN A 23 0.701 -4.168 -14.243 1.00 0.12 H new ATOM 0 HD21 ASN A 23 3.325 -4.806 -16.515 1.00 13.35 H new ATOM 0 HD22 ASN A 23 2.434 -3.613 -15.565 1.00 13.35 H new ATOM 380 N GLU A 24 0.506 -6.544 -11.140 1.00 45.45 N ATOM 381 CA GLU A 24 0.222 -7.770 -10.404 1.00 52.25 C ATOM 382 C GLU A 24 -0.570 -8.750 -11.266 1.00 4.03 C ATOM 383 O GLU A 24 -0.520 -8.692 -12.494 1.00 32.12 O ATOM 384 CB GLU A 24 -0.557 -7.454 -9.125 1.00 65.15 C ATOM 385 CG GLU A 24 -0.087 -8.245 -7.916 1.00 61.43 C ATOM 386 CD GLU A 24 1.298 -7.837 -7.454 1.00 63.10 C ATOM 387 OE1 GLU A 24 2.281 -8.191 -8.138 1.00 40.45 O ATOM 388 OE2 GLU A 24 1.399 -7.163 -6.407 1.00 61.42 O ATOM 0 H GLU A 24 -0.189 -5.808 -11.017 1.00 45.45 H new ATOM 0 HA GLU A 24 1.172 -8.233 -10.137 1.00 52.25 H new ATOM 0 HB2 GLU A 24 -0.468 -6.389 -8.909 1.00 65.15 H new ATOM 0 HB3 GLU A 24 -1.614 -7.658 -9.294 1.00 65.15 H new ATOM 0 HG2 GLU A 24 -0.794 -8.106 -7.098 1.00 61.43 H new ATOM 0 HG3 GLU A 24 -0.086 -9.307 -8.160 1.00 61.43 H new ATOM 395 N GLU A 25 -1.298 -9.649 -10.611 1.00 61.23 N ATOM 396 CA GLU A 25 -2.098 -10.643 -11.317 1.00 54.21 C ATOM 397 C GLU A 25 -1.207 -11.609 -12.092 1.00 40.11 C ATOM 398 O GLU A 25 -1.687 -12.392 -12.911 1.00 73.40 O ATOM 399 CB GLU A 25 -3.077 -9.957 -12.272 1.00 50.45 C ATOM 400 CG GLU A 25 -4.424 -10.653 -12.368 1.00 12.04 C ATOM 401 CD GLU A 25 -5.241 -10.183 -13.555 1.00 53.13 C ATOM 402 OE1 GLU A 25 -5.145 -8.989 -13.907 1.00 13.31 O ATOM 403 OE2 GLU A 25 -5.977 -11.010 -14.133 1.00 61.43 O ATOM 0 H GLU A 25 -1.350 -9.709 -9.594 1.00 61.23 H new ATOM 0 HA GLU A 25 -2.661 -11.211 -10.576 1.00 54.21 H new ATOM 0 HB2 GLU A 25 -3.231 -8.929 -11.944 1.00 50.45 H new ATOM 0 HB3 GLU A 25 -2.630 -9.911 -13.265 1.00 50.45 H new ATOM 0 HG2 GLU A 25 -4.268 -11.729 -12.443 1.00 12.04 H new ATOM 0 HG3 GLU A 25 -4.987 -10.475 -11.451 1.00 12.04 H new ATOM 410 N SER A 26 0.094 -11.546 -11.827 1.00 61.24 N ATOM 411 CA SER A 26 1.054 -12.412 -12.502 1.00 41.34 C ATOM 412 C SER A 26 2.484 -12.031 -12.131 1.00 51.30 C ATOM 413 O SER A 26 3.390 -12.862 -12.169 1.00 33.32 O ATOM 414 CB SER A 26 0.870 -12.328 -14.019 1.00 35.41 C ATOM 415 OG SER A 26 2.040 -12.747 -14.699 1.00 22.02 O ATOM 0 H SER A 26 0.507 -10.905 -11.150 1.00 61.24 H new ATOM 0 HA SER A 26 0.873 -13.436 -12.177 1.00 41.34 H new ATOM 0 HB2 SER A 26 0.028 -12.950 -14.321 1.00 35.41 H new ATOM 0 HB3 SER A 26 0.628 -11.304 -14.303 1.00 35.41 H new ATOM 0 HG SER A 26 1.830 -13.516 -15.268 1.00 22.02 H new ATOM 421 N GLY A 27 2.678 -10.765 -11.772 1.00 24.21 N ATOM 422 CA GLY A 27 4.000 -10.295 -11.399 1.00 15.42 C ATOM 423 C GLY A 27 4.893 -10.061 -12.601 1.00 73.30 C ATOM 424 O GLY A 27 5.985 -10.622 -12.691 1.00 2.02 O ATOM 0 H GLY A 27 1.944 -10.057 -11.733 1.00 24.21 H new ATOM 0 HA2 GLY A 27 3.906 -9.368 -10.834 1.00 15.42 H new ATOM 0 HA3 GLY A 27 4.469 -11.025 -10.739 1.00 15.42 H new ATOM 428 N LYS A 28 4.428 -9.232 -13.530 1.00 32.45 N ATOM 429 CA LYS A 28 5.191 -8.926 -14.733 1.00 40.44 C ATOM 430 C LYS A 28 5.535 -7.441 -14.796 1.00 4.13 C ATOM 431 O LYS A 28 5.010 -6.638 -14.024 1.00 31.33 O ATOM 432 CB LYS A 28 4.401 -9.329 -15.980 1.00 75.30 C ATOM 433 CG LYS A 28 3.796 -10.720 -15.893 1.00 31.01 C ATOM 434 CD LYS A 28 4.865 -11.782 -15.697 1.00 2.41 C ATOM 435 CE LYS A 28 4.436 -13.119 -16.280 1.00 62.22 C ATOM 436 NZ LYS A 28 4.512 -14.213 -15.273 1.00 71.51 N ATOM 0 H LYS A 28 3.526 -8.760 -13.472 1.00 32.45 H new ATOM 0 HA LYS A 28 6.119 -9.496 -14.698 1.00 40.44 H new ATOM 0 HB2 LYS A 28 3.603 -8.605 -16.145 1.00 75.30 H new ATOM 0 HB3 LYS A 28 5.059 -9.282 -16.848 1.00 75.30 H new ATOM 0 HG2 LYS A 28 3.088 -10.758 -15.065 1.00 31.01 H new ATOM 0 HG3 LYS A 28 3.235 -10.931 -16.803 1.00 31.01 H new ATOM 0 HD2 LYS A 28 5.792 -11.458 -16.170 1.00 2.41 H new ATOM 0 HD3 LYS A 28 5.074 -11.898 -14.633 1.00 2.41 H new ATOM 0 HE2 LYS A 28 3.416 -13.041 -16.655 1.00 62.22 H new ATOM 0 HE3 LYS A 28 5.071 -13.364 -17.131 1.00 62.22 H new ATOM 0 HZ1 LYS A 28 4.530 -15.132 -15.760 1.00 71.51 H new ATOM 0 HZ2 LYS A 28 5.377 -14.104 -14.706 1.00 71.51 H new ATOM 0 HZ3 LYS A 28 3.681 -14.168 -14.649 1.00 71.51 H new ATOM 450 N CYS A 29 6.420 -7.082 -15.720 1.00 11.41 N ATOM 451 CA CYS A 29 6.834 -5.693 -15.884 1.00 70.52 C ATOM 452 C CYS A 29 6.740 -5.267 -17.346 1.00 74.14 C ATOM 453 O CYS A 29 6.818 -6.097 -18.251 1.00 61.41 O ATOM 454 CB CYS A 29 8.265 -5.503 -15.377 1.00 52.33 C ATOM 455 SG CYS A 29 8.372 -4.780 -13.708 1.00 63.25 S ATOM 0 H CYS A 29 6.864 -7.734 -16.367 1.00 11.41 H new ATOM 0 HA CYS A 29 6.161 -5.067 -15.297 1.00 70.52 H new ATOM 0 HB2 CYS A 29 8.770 -6.469 -15.376 1.00 52.33 H new ATOM 0 HB3 CYS A 29 8.804 -4.862 -16.074 1.00 52.33 H new ATOM 460 N GLU A 30 6.571 -3.967 -17.568 1.00 71.34 N ATOM 461 CA GLU A 30 6.465 -3.431 -18.920 1.00 64.44 C ATOM 462 C GLU A 30 7.406 -2.245 -19.110 1.00 40.13 C ATOM 463 O GLU A 30 8.171 -1.893 -18.211 1.00 74.01 O ATOM 464 CB GLU A 30 5.025 -3.006 -19.213 1.00 70.34 C ATOM 465 CG GLU A 30 4.095 -4.171 -19.509 1.00 12.12 C ATOM 466 CD GLU A 30 2.798 -3.731 -20.160 1.00 61.12 C ATOM 467 OE1 GLU A 30 1.914 -3.224 -19.438 1.00 21.52 O ATOM 468 OE2 GLU A 30 2.667 -3.893 -21.391 1.00 71.42 O ATOM 0 H GLU A 30 6.505 -3.266 -16.830 1.00 71.34 H new ATOM 0 HA GLU A 30 6.753 -4.217 -19.618 1.00 64.44 H new ATOM 0 HB2 GLU A 30 4.638 -2.451 -18.359 1.00 70.34 H new ATOM 0 HB3 GLU A 30 5.022 -2.324 -20.064 1.00 70.34 H new ATOM 0 HG2 GLU A 30 4.603 -4.880 -20.163 1.00 12.12 H new ATOM 0 HG3 GLU A 30 3.871 -4.697 -18.581 1.00 12.12 H new ATOM 475 N THR A 31 7.345 -1.631 -20.288 1.00 72.10 N ATOM 476 CA THR A 31 8.191 -0.486 -20.598 1.00 1.20 C ATOM 477 C THR A 31 7.588 0.357 -21.716 1.00 65.55 C ATOM 478 O THR A 31 7.106 -0.175 -22.717 1.00 21.23 O ATOM 479 CB THR A 31 9.607 -0.929 -21.011 1.00 24.23 C ATOM 480 OG1 THR A 31 9.538 -2.130 -21.787 1.00 71.15 O ATOM 481 CG2 THR A 31 10.480 -1.161 -19.787 1.00 2.25 C ATOM 0 H THR A 31 6.718 -1.908 -21.043 1.00 72.10 H new ATOM 0 HA THR A 31 8.256 0.113 -19.690 1.00 1.20 H new ATOM 0 HB THR A 31 10.052 -0.134 -21.610 1.00 24.23 H new ATOM 0 HG1 THR A 31 10.442 -2.404 -22.047 1.00 71.15 H new ATOM 0 HG21 THR A 31 11.475 -1.473 -20.104 1.00 2.25 H new ATOM 0 HG22 THR A 31 10.555 -0.237 -19.213 1.00 2.25 H new ATOM 0 HG23 THR A 31 10.036 -1.939 -19.166 1.00 2.25 H new ATOM 489 N PHE A 32 7.620 1.673 -21.542 1.00 14.55 N ATOM 490 CA PHE A 32 7.076 2.590 -22.537 1.00 33.01 C ATOM 491 C PHE A 32 7.661 3.989 -22.365 1.00 74.23 C ATOM 492 O PHE A 32 8.244 4.306 -21.328 1.00 63.05 O ATOM 493 CB PHE A 32 5.550 2.646 -22.430 1.00 64.00 C ATOM 494 CG PHE A 32 5.021 2.115 -21.129 1.00 12.14 C ATOM 495 CD1 PHE A 32 4.892 2.946 -20.027 1.00 60.13 C ATOM 496 CD2 PHE A 32 4.652 0.785 -21.006 1.00 42.05 C ATOM 497 CE1 PHE A 32 4.405 2.461 -18.828 1.00 74.23 C ATOM 498 CE2 PHE A 32 4.164 0.294 -19.810 1.00 51.43 C ATOM 499 CZ PHE A 32 4.041 1.133 -18.720 1.00 21.24 C ATOM 0 H PHE A 32 8.017 2.129 -20.721 1.00 14.55 H new ATOM 0 HA PHE A 32 7.351 2.219 -23.525 1.00 33.01 H new ATOM 0 HB2 PHE A 32 5.223 3.679 -22.552 1.00 64.00 H new ATOM 0 HB3 PHE A 32 5.115 2.075 -23.250 1.00 64.00 H new ATOM 0 HD1 PHE A 32 5.176 3.985 -20.106 1.00 60.13 H new ATOM 0 HD2 PHE A 32 4.747 0.124 -21.855 1.00 42.05 H new ATOM 0 HE1 PHE A 32 4.309 3.119 -17.977 1.00 74.23 H new ATOM 0 HE2 PHE A 32 3.879 -0.745 -19.728 1.00 51.43 H new ATOM 0 HZ PHE A 32 3.661 0.751 -17.784 1.00 21.24 H new ATOM 509 N ILE A 33 7.500 4.820 -23.389 1.00 51.41 N ATOM 510 CA ILE A 33 8.011 6.185 -23.352 1.00 20.13 C ATOM 511 C ILE A 33 7.245 7.032 -22.341 1.00 74.43 C ATOM 512 O ILE A 33 6.060 6.802 -22.095 1.00 3.22 O ATOM 513 CB ILE A 33 7.927 6.856 -24.736 1.00 32.35 C ATOM 514 CG1 ILE A 33 8.474 5.919 -25.815 1.00 1.14 C ATOM 515 CG2 ILE A 33 8.689 8.172 -24.733 1.00 40.42 C ATOM 516 CD1 ILE A 33 7.399 5.309 -26.687 1.00 23.45 C ATOM 0 H ILE A 33 7.020 4.572 -24.254 1.00 51.41 H new ATOM 0 HA ILE A 33 9.057 6.122 -23.051 1.00 20.13 H new ATOM 0 HB ILE A 33 6.881 7.065 -24.960 1.00 32.35 H new ATOM 0 HG12 ILE A 33 9.171 6.471 -26.445 1.00 1.14 H new ATOM 0 HG13 ILE A 33 9.040 5.119 -25.337 1.00 1.14 H new ATOM 0 HG21 ILE A 33 8.621 8.634 -25.718 1.00 40.42 H new ATOM 0 HG22 ILE A 33 8.258 8.840 -23.988 1.00 40.42 H new ATOM 0 HG23 ILE A 33 9.736 7.986 -24.492 1.00 40.42 H new ATOM 0 HD11 ILE A 33 7.859 4.657 -27.429 1.00 23.45 H new ATOM 0 HD12 ILE A 33 6.714 4.729 -26.068 1.00 23.45 H new ATOM 0 HD13 ILE A 33 6.848 6.102 -27.193 1.00 23.45 H new ATOM 528 N TYR A 34 7.927 8.012 -21.761 1.00 23.03 N ATOM 529 CA TYR A 34 7.311 8.894 -20.776 1.00 61.52 C ATOM 530 C TYR A 34 7.891 10.302 -20.867 1.00 24.40 C ATOM 531 O TYR A 34 9.063 10.483 -21.194 1.00 63.45 O ATOM 532 CB TYR A 34 7.512 8.337 -19.366 1.00 23.03 C ATOM 533 CG TYR A 34 7.239 9.345 -18.272 1.00 60.03 C ATOM 534 CD1 TYR A 34 8.244 10.184 -17.807 1.00 41.34 C ATOM 535 CD2 TYR A 34 5.976 9.458 -17.704 1.00 25.44 C ATOM 536 CE1 TYR A 34 7.999 11.106 -16.808 1.00 45.31 C ATOM 537 CE2 TYR A 34 5.722 10.378 -16.705 1.00 63.30 C ATOM 538 CZ TYR A 34 6.737 11.200 -16.261 1.00 31.44 C ATOM 539 OH TYR A 34 6.488 12.116 -15.265 1.00 42.40 O ATOM 0 H TYR A 34 8.907 8.217 -21.955 1.00 23.03 H new ATOM 0 HA TYR A 34 6.243 8.946 -20.990 1.00 61.52 H new ATOM 0 HB2 TYR A 34 6.857 7.477 -19.227 1.00 23.03 H new ATOM 0 HB3 TYR A 34 8.536 7.977 -19.269 1.00 23.03 H new ATOM 0 HD1 TYR A 34 9.234 10.114 -18.234 1.00 41.34 H new ATOM 0 HD2 TYR A 34 5.179 8.816 -18.049 1.00 25.44 H new ATOM 0 HE1 TYR A 34 8.792 11.750 -16.457 1.00 45.31 H new ATOM 0 HE2 TYR A 34 4.735 10.453 -16.274 1.00 63.30 H new ATOM 0 HH TYR A 34 7.077 12.891 -15.379 1.00 42.40 H new ATOM 549 N GLY A 35 7.060 11.297 -20.573 1.00 44.34 N ATOM 550 CA GLY A 35 7.508 12.677 -20.627 1.00 35.12 C ATOM 551 C GLY A 35 6.369 13.662 -20.451 1.00 43.43 C ATOM 552 O GLY A 35 5.237 13.391 -20.849 1.00 1.03 O ATOM 0 H GLY A 35 6.085 11.173 -20.299 1.00 44.34 H new ATOM 0 HA2 GLY A 35 8.253 12.845 -19.849 1.00 35.12 H new ATOM 0 HA3 GLY A 35 7.998 12.860 -21.583 1.00 35.12 H new ATOM 556 N GLY A 36 6.670 14.811 -19.852 1.00 73.13 N ATOM 557 CA GLY A 36 5.652 15.822 -19.634 1.00 11.02 C ATOM 558 C GLY A 36 4.908 15.623 -18.328 1.00 51.12 C ATOM 559 O GLY A 36 5.460 15.845 -17.250 1.00 50.25 O ATOM 0 H GLY A 36 7.600 15.059 -19.514 1.00 73.13 H new ATOM 0 HA2 GLY A 36 6.117 16.808 -19.637 1.00 11.02 H new ATOM 0 HA3 GLY A 36 4.941 15.802 -20.460 1.00 11.02 H new ATOM 563 N VAL A 37 3.650 15.205 -18.424 1.00 32.34 N ATOM 564 CA VAL A 37 2.828 14.976 -17.241 1.00 3.51 C ATOM 565 C VAL A 37 3.134 13.622 -16.612 1.00 63.32 C ATOM 566 O VAL A 37 3.429 12.653 -17.312 1.00 1.44 O ATOM 567 CB VAL A 37 1.327 15.046 -17.578 1.00 41.22 C ATOM 568 CG1 VAL A 37 0.495 15.082 -16.306 1.00 33.14 C ATOM 569 CG2 VAL A 37 1.033 16.257 -18.451 1.00 63.23 C ATOM 0 H VAL A 37 3.178 15.018 -19.308 1.00 32.34 H new ATOM 0 HA VAL A 37 3.070 15.766 -16.530 1.00 3.51 H new ATOM 0 HB VAL A 37 1.056 14.150 -18.136 1.00 41.22 H new ATOM 0 HG11 VAL A 37 -0.563 15.131 -16.564 1.00 33.14 H new ATOM 0 HG12 VAL A 37 0.684 14.181 -15.722 1.00 33.14 H new ATOM 0 HG13 VAL A 37 0.766 15.959 -15.718 1.00 33.14 H new ATOM 0 HG21 VAL A 37 -0.032 16.291 -18.680 1.00 63.23 H new ATOM 0 HG22 VAL A 37 1.320 17.166 -17.921 1.00 63.23 H new ATOM 0 HG23 VAL A 37 1.601 16.183 -19.378 1.00 63.23 H new ATOM 579 N GLY A 38 3.062 13.561 -15.286 1.00 33.31 N ATOM 580 CA GLY A 38 3.333 12.320 -14.584 1.00 63.45 C ATOM 581 C GLY A 38 2.209 11.313 -14.730 1.00 0.40 C ATOM 582 O GLY A 38 1.034 11.677 -14.703 1.00 30.35 O ATOM 0 H GLY A 38 2.821 14.349 -14.685 1.00 33.31 H new ATOM 0 HA2 GLY A 38 4.257 11.886 -14.964 1.00 63.45 H new ATOM 0 HA3 GLY A 38 3.492 12.532 -13.527 1.00 63.45 H new ATOM 586 N GLY A 39 2.570 10.043 -14.887 1.00 50.31 N ATOM 587 CA GLY A 39 1.571 9.001 -15.037 1.00 40.42 C ATOM 588 C GLY A 39 1.701 7.918 -13.985 1.00 71.22 C ATOM 589 O GLY A 39 2.803 7.456 -13.694 1.00 20.34 O ATOM 0 H GLY A 39 3.536 9.717 -14.913 1.00 50.31 H new ATOM 0 HA2 GLY A 39 0.577 9.444 -14.977 1.00 40.42 H new ATOM 0 HA3 GLY A 39 1.662 8.554 -16.027 1.00 40.42 H new ATOM 593 N ASN A 40 0.572 7.512 -13.413 1.00 11.51 N ATOM 594 CA ASN A 40 0.565 6.478 -12.385 1.00 74.32 C ATOM 595 C ASN A 40 1.646 6.740 -11.341 1.00 52.33 C ATOM 596 O ASN A 40 2.137 7.861 -11.210 1.00 11.34 O ATOM 597 CB ASN A 40 0.774 5.100 -13.017 1.00 41.34 C ATOM 598 CG ASN A 40 0.238 5.027 -14.434 1.00 63.12 C ATOM 599 OD1 ASN A 40 -0.901 4.617 -14.659 1.00 24.04 O ATOM 600 ND2 ASN A 40 1.060 5.425 -15.399 1.00 30.14 N ATOM 0 H ASN A 40 -0.349 7.883 -13.644 1.00 11.51 H new ATOM 0 HA ASN A 40 -0.406 6.500 -11.890 1.00 74.32 H new ATOM 0 HB2 ASN A 40 1.838 4.863 -13.021 1.00 41.34 H new ATOM 0 HB3 ASN A 40 0.281 4.344 -12.406 1.00 41.34 H new ATOM 0 HD21 ASN A 40 0.755 5.398 -16.372 1.00 30.14 H new ATOM 0 HD22 ASN A 40 1.996 5.758 -15.167 1.00 30.14 H new ATOM 607 N SER A 41 2.012 5.698 -10.602 1.00 2.33 N ATOM 608 CA SER A 41 3.033 5.816 -9.567 1.00 50.41 C ATOM 609 C SER A 41 4.168 4.826 -9.808 1.00 60.13 C ATOM 610 O SER A 41 5.141 4.785 -9.056 1.00 73.23 O ATOM 611 CB SER A 41 2.419 5.580 -8.186 1.00 21.41 C ATOM 612 OG SER A 41 3.375 5.788 -7.161 1.00 32.14 O ATOM 0 H SER A 41 1.617 4.763 -10.700 1.00 2.33 H new ATOM 0 HA SER A 41 3.441 6.826 -9.607 1.00 50.41 H new ATOM 0 HB2 SER A 41 1.573 6.252 -8.041 1.00 21.41 H new ATOM 0 HB3 SER A 41 2.032 4.563 -8.126 1.00 21.41 H new ATOM 0 HG SER A 41 4.252 5.470 -7.462 1.00 32.14 H new ATOM 618 N ASN A 42 4.035 4.029 -10.864 1.00 22.14 N ATOM 619 CA ASN A 42 5.049 3.037 -11.205 1.00 13.31 C ATOM 620 C ASN A 42 6.035 3.597 -12.226 1.00 73.40 C ATOM 621 O ASN A 42 6.572 2.861 -13.053 1.00 31.23 O ATOM 622 CB ASN A 42 4.389 1.772 -11.757 1.00 33.04 C ATOM 623 CG ASN A 42 4.851 0.519 -11.039 1.00 31.34 C ATOM 624 OD1 ASN A 42 6.001 0.102 -11.173 1.00 25.34 O ATOM 625 ND2 ASN A 42 3.953 -0.088 -10.271 1.00 61.53 N ATOM 0 H ASN A 42 3.236 4.051 -11.498 1.00 22.14 H new ATOM 0 HA ASN A 42 5.597 2.786 -10.297 1.00 13.31 H new ATOM 0 HB2 ASN A 42 3.306 1.861 -11.666 1.00 33.04 H new ATOM 0 HB3 ASN A 42 4.614 1.682 -12.820 1.00 33.04 H new ATOM 0 HD21 ASN A 42 4.206 -0.935 -9.763 1.00 61.53 H new ATOM 0 HD22 ASN A 42 3.011 0.293 -10.189 1.00 61.53 H new ATOM 632 N ASN A 43 6.268 4.904 -12.161 1.00 73.52 N ATOM 633 CA ASN A 43 7.189 5.562 -13.080 1.00 2.11 C ATOM 634 C ASN A 43 8.607 5.570 -12.516 1.00 32.01 C ATOM 635 O ASN A 43 8.862 6.144 -11.457 1.00 30.42 O ATOM 636 CB ASN A 43 6.730 6.995 -13.356 1.00 0.34 C ATOM 637 CG ASN A 43 6.234 7.180 -14.777 1.00 14.14 C ATOM 638 OD1 ASN A 43 5.145 7.709 -15.002 1.00 1.42 O ATOM 639 ND2 ASN A 43 7.032 6.743 -15.744 1.00 31.04 N ATOM 0 H ASN A 43 5.832 5.528 -11.482 1.00 73.52 H new ATOM 0 HA ASN A 43 7.192 5.002 -14.015 1.00 2.11 H new ATOM 0 HB2 ASN A 43 5.935 7.259 -12.659 1.00 0.34 H new ATOM 0 HB3 ASN A 43 7.557 7.680 -13.171 1.00 0.34 H new ATOM 0 HD21 ASN A 43 6.751 6.840 -16.720 1.00 31.04 H new ATOM 0 HD22 ASN A 43 7.926 6.311 -15.511 1.00 31.04 H new ATOM 646 N PHE A 44 9.526 4.930 -13.231 1.00 71.12 N ATOM 647 CA PHE A 44 10.918 4.863 -12.803 1.00 20.55 C ATOM 648 C PHE A 44 11.843 4.627 -13.993 1.00 71.11 C ATOM 649 O PHE A 44 11.638 3.701 -14.779 1.00 42.03 O ATOM 650 CB PHE A 44 11.103 3.748 -11.770 1.00 53.15 C ATOM 651 CG PHE A 44 11.042 4.231 -10.350 1.00 21.05 C ATOM 652 CD1 PHE A 44 12.161 4.778 -9.742 1.00 14.52 C ATOM 653 CD2 PHE A 44 9.867 4.138 -9.622 1.00 31.03 C ATOM 654 CE1 PHE A 44 12.108 5.223 -8.434 1.00 74.22 C ATOM 655 CE2 PHE A 44 9.808 4.581 -8.314 1.00 12.13 C ATOM 656 CZ PHE A 44 10.930 5.125 -7.720 1.00 14.13 C ATOM 0 H PHE A 44 9.332 4.450 -14.110 1.00 71.12 H new ATOM 0 HA PHE A 44 11.178 5.819 -12.347 1.00 20.55 H new ATOM 0 HB2 PHE A 44 10.333 2.992 -11.922 1.00 53.15 H new ATOM 0 HB3 PHE A 44 12.064 3.263 -11.939 1.00 53.15 H new ATOM 0 HD1 PHE A 44 13.085 4.858 -10.296 1.00 14.52 H new ATOM 0 HD2 PHE A 44 8.987 3.714 -10.082 1.00 31.03 H new ATOM 0 HE1 PHE A 44 12.987 5.647 -7.971 1.00 74.22 H new ATOM 0 HE2 PHE A 44 8.886 4.502 -7.757 1.00 12.13 H new ATOM 0 HZ PHE A 44 10.886 5.473 -6.699 1.00 14.13 H new ATOM 666 N LEU A 45 12.861 5.471 -14.120 1.00 13.12 N ATOM 667 CA LEU A 45 13.818 5.356 -15.215 1.00 1.34 C ATOM 668 C LEU A 45 14.787 4.204 -14.972 1.00 24.13 C ATOM 669 O LEU A 45 15.701 3.969 -15.763 1.00 62.23 O ATOM 670 CB LEU A 45 14.594 6.664 -15.379 1.00 0.42 C ATOM 671 CG LEU A 45 13.791 7.950 -15.182 1.00 52.51 C ATOM 672 CD1 LEU A 45 13.982 8.489 -13.773 1.00 34.24 C ATOM 673 CD2 LEU A 45 14.195 8.995 -16.213 1.00 33.51 C ATOM 0 H LEU A 45 13.045 6.242 -13.478 1.00 13.12 H new ATOM 0 HA LEU A 45 13.263 5.152 -16.131 1.00 1.34 H new ATOM 0 HB2 LEU A 45 15.421 6.664 -14.669 1.00 0.42 H new ATOM 0 HB3 LEU A 45 15.031 6.681 -16.378 1.00 0.42 H new ATOM 0 HG LEU A 45 12.735 7.720 -15.321 1.00 52.51 H new ATOM 0 HD11 LEU A 45 13.403 9.404 -13.652 1.00 34.24 H new ATOM 0 HD12 LEU A 45 13.643 7.747 -13.050 1.00 34.24 H new ATOM 0 HD13 LEU A 45 15.038 8.703 -13.605 1.00 34.24 H new ATOM 0 HD21 LEU A 45 13.613 9.904 -16.057 1.00 33.51 H new ATOM 0 HD22 LEU A 45 15.256 9.221 -16.106 1.00 33.51 H new ATOM 0 HD23 LEU A 45 14.005 8.610 -17.215 1.00 33.51 H new ATOM 685 N THR A 46 14.581 3.485 -13.872 1.00 42.43 N ATOM 686 CA THR A 46 15.435 2.357 -13.525 1.00 64.34 C ATOM 687 C THR A 46 14.874 1.052 -14.079 1.00 64.01 C ATOM 688 O THR A 46 13.721 0.991 -14.505 1.00 34.14 O ATOM 689 CB THR A 46 15.600 2.225 -12.000 1.00 20.15 C ATOM 690 OG1 THR A 46 14.527 2.897 -11.331 1.00 50.41 O ATOM 691 CG2 THR A 46 16.930 2.807 -11.547 1.00 25.05 C ATOM 0 H THR A 46 13.829 3.665 -13.206 1.00 42.43 H new ATOM 0 HA THR A 46 16.410 2.550 -13.973 1.00 64.34 H new ATOM 0 HB THR A 46 15.580 1.165 -11.745 1.00 20.15 H new ATOM 0 HG1 THR A 46 14.775 3.832 -11.173 1.00 50.41 H new ATOM 0 HG21 THR A 46 17.024 2.702 -10.466 1.00 25.05 H new ATOM 0 HG22 THR A 46 17.746 2.274 -12.035 1.00 25.05 H new ATOM 0 HG23 THR A 46 16.975 3.863 -11.814 1.00 25.05 H new ATOM 699 N LYS A 47 15.697 0.009 -14.071 1.00 23.24 N ATOM 700 CA LYS A 47 15.283 -1.297 -14.570 1.00 43.02 C ATOM 701 C LYS A 47 14.895 -2.221 -13.421 1.00 35.14 C ATOM 702 O LYS A 47 13.719 -2.532 -13.233 1.00 53.41 O ATOM 703 CB LYS A 47 16.408 -1.932 -15.391 1.00 40.10 C ATOM 704 CG LYS A 47 15.947 -3.087 -16.263 1.00 22.32 C ATOM 705 CD LYS A 47 16.096 -4.419 -15.547 1.00 74.52 C ATOM 706 CE LYS A 47 17.437 -5.069 -15.852 1.00 33.35 C ATOM 707 NZ LYS A 47 17.315 -6.135 -16.885 1.00 0.41 N ATOM 0 H LYS A 47 16.656 0.043 -13.724 1.00 23.24 H new ATOM 0 HA LYS A 47 14.411 -1.154 -15.208 1.00 43.02 H new ATOM 0 HB2 LYS A 47 16.860 -1.168 -16.023 1.00 40.10 H new ATOM 0 HB3 LYS A 47 17.185 -2.287 -14.714 1.00 40.10 H new ATOM 0 HG2 LYS A 47 14.904 -2.938 -16.544 1.00 22.32 H new ATOM 0 HG3 LYS A 47 16.527 -3.102 -17.186 1.00 22.32 H new ATOM 0 HD2 LYS A 47 16.000 -4.268 -14.472 1.00 74.52 H new ATOM 0 HD3 LYS A 47 15.290 -5.087 -15.848 1.00 74.52 H new ATOM 0 HE2 LYS A 47 18.139 -4.309 -16.195 1.00 33.35 H new ATOM 0 HE3 LYS A 47 17.850 -5.495 -14.938 1.00 33.35 H new ATOM 0 HZ1 LYS A 47 18.250 -6.553 -17.065 1.00 0.41 H new ATOM 0 HZ2 LYS A 47 16.665 -6.873 -16.547 1.00 0.41 H new ATOM 0 HZ3 LYS A 47 16.945 -5.724 -17.766 1.00 0.41 H new ATOM 721 N GLU A 48 15.890 -2.656 -12.654 1.00 12.51 N ATOM 722 CA GLU A 48 15.650 -3.544 -11.522 1.00 40.54 C ATOM 723 C GLU A 48 14.611 -2.950 -10.576 1.00 34.12 C ATOM 724 O GLU A 48 13.784 -3.669 -10.015 1.00 20.44 O ATOM 725 CB GLU A 48 16.954 -3.806 -10.766 1.00 10.30 C ATOM 726 CG GLU A 48 17.485 -5.218 -10.941 1.00 24.54 C ATOM 727 CD GLU A 48 18.466 -5.611 -9.853 1.00 64.21 C ATOM 728 OE1 GLU A 48 18.068 -5.624 -8.670 1.00 11.42 O ATOM 729 OE2 GLU A 48 19.633 -5.907 -10.186 1.00 44.32 O ATOM 0 H GLU A 48 16.869 -2.408 -12.796 1.00 12.51 H new ATOM 0 HA GLU A 48 15.266 -4.488 -11.908 1.00 40.54 H new ATOM 0 HB2 GLU A 48 17.710 -3.098 -11.106 1.00 10.30 H new ATOM 0 HB3 GLU A 48 16.793 -3.616 -9.705 1.00 10.30 H new ATOM 0 HG2 GLU A 48 16.650 -5.919 -10.943 1.00 24.54 H new ATOM 0 HG3 GLU A 48 17.973 -5.301 -11.912 1.00 24.54 H new ATOM 736 N ASP A 49 14.660 -1.634 -10.403 1.00 54.23 N ATOM 737 CA ASP A 49 13.723 -0.942 -9.525 1.00 74.34 C ATOM 738 C ASP A 49 12.294 -1.417 -9.773 1.00 23.51 C ATOM 739 O ASP A 49 11.491 -1.514 -8.845 1.00 10.44 O ATOM 740 CB ASP A 49 13.814 0.570 -9.736 1.00 61.23 C ATOM 741 CG ASP A 49 15.063 1.166 -9.118 1.00 65.02 C ATOM 742 OD1 ASP A 49 16.140 0.545 -9.240 1.00 74.31 O ATOM 743 OD2 ASP A 49 14.965 2.254 -8.512 1.00 31.52 O ATOM 0 H ASP A 49 15.339 -1.024 -10.859 1.00 54.23 H new ATOM 0 HA ASP A 49 13.991 -1.174 -8.494 1.00 74.34 H new ATOM 0 HB2 ASP A 49 13.802 0.786 -10.804 1.00 61.23 H new ATOM 0 HB3 ASP A 49 12.935 1.048 -9.304 1.00 61.23 H new ATOM 748 N CYS A 50 11.984 -1.713 -11.031 1.00 11.42 N ATOM 749 CA CYS A 50 10.652 -2.176 -11.402 1.00 25.12 C ATOM 750 C CYS A 50 10.137 -3.206 -10.401 1.00 72.42 C ATOM 751 O CYS A 50 9.095 -3.012 -9.774 1.00 71.02 O ATOM 752 CB CYS A 50 10.673 -2.780 -12.807 1.00 42.04 C ATOM 753 SG CYS A 50 9.025 -2.970 -13.559 1.00 71.33 S ATOM 0 H CYS A 50 12.637 -1.640 -11.811 1.00 11.42 H new ATOM 0 HA CYS A 50 9.980 -1.318 -11.393 1.00 25.12 H new ATOM 0 HB2 CYS A 50 11.285 -2.150 -13.453 1.00 42.04 H new ATOM 0 HB3 CYS A 50 11.156 -3.756 -12.764 1.00 42.04 H new ATOM 758 N CYS A 51 10.873 -4.303 -10.257 1.00 4.12 N ATOM 759 CA CYS A 51 10.492 -5.365 -9.333 1.00 42.34 C ATOM 760 C CYS A 51 10.450 -4.848 -7.898 1.00 70.21 C ATOM 761 O CYS A 51 9.589 -5.242 -7.111 1.00 50.30 O ATOM 762 CB CYS A 51 11.472 -6.535 -9.437 1.00 73.41 C ATOM 763 SG CYS A 51 10.685 -8.175 -9.326 1.00 44.12 S ATOM 0 H CYS A 51 11.737 -4.480 -10.769 1.00 4.12 H new ATOM 0 HA CYS A 51 9.495 -5.710 -9.606 1.00 42.34 H new ATOM 0 HB2 CYS A 51 12.007 -6.464 -10.384 1.00 73.41 H new ATOM 0 HB3 CYS A 51 12.214 -6.445 -8.644 1.00 73.41 H new ATOM 768 N ARG A 52 11.385 -3.965 -7.565 1.00 43.33 N ATOM 769 CA ARG A 52 11.456 -3.395 -6.225 1.00 51.22 C ATOM 770 C ARG A 52 10.160 -2.669 -5.874 1.00 63.12 C ATOM 771 O ARG A 52 9.702 -2.715 -4.733 1.00 71.43 O ATOM 772 CB ARG A 52 12.638 -2.430 -6.120 1.00 2.12 C ATOM 773 CG ARG A 52 13.436 -2.582 -4.835 1.00 70.11 C ATOM 774 CD ARG A 52 12.549 -2.440 -3.608 1.00 73.03 C ATOM 775 NE ARG A 52 13.329 -2.263 -2.386 1.00 75.02 N ATOM 776 CZ ARG A 52 13.963 -1.138 -2.076 1.00 12.14 C ATOM 777 NH1 ARG A 52 13.909 -0.095 -2.893 1.00 61.51 N ATOM 778 NH2 ARG A 52 14.652 -1.054 -0.945 1.00 1.10 N ATOM 0 H ARG A 52 12.104 -3.628 -8.205 1.00 43.33 H new ATOM 0 HA ARG A 52 11.599 -4.211 -5.517 1.00 51.22 H new ATOM 0 HB2 ARG A 52 13.301 -2.587 -6.970 1.00 2.12 H new ATOM 0 HB3 ARG A 52 12.268 -1.407 -6.189 1.00 2.12 H new ATOM 0 HG2 ARG A 52 13.924 -3.557 -4.822 1.00 70.11 H new ATOM 0 HG3 ARG A 52 14.225 -1.830 -4.804 1.00 70.11 H new ATOM 0 HD2 ARG A 52 11.883 -1.588 -3.739 1.00 73.03 H new ATOM 0 HD3 ARG A 52 11.920 -3.325 -3.511 1.00 73.03 H new ATOM 0 HE ARG A 52 13.390 -3.046 -1.735 1.00 75.02 H new ATOM 0 HH11 ARG A 52 13.379 -0.155 -3.763 1.00 61.51 H new ATOM 0 HH12 ARG A 52 14.397 0.768 -2.652 1.00 61.51 H new ATOM 0 HH21 ARG A 52 14.695 -1.854 -0.313 1.00 1.10 H new ATOM 0 HH22 ARG A 52 15.139 -0.190 -0.707 1.00 1.10 H new ATOM 792 N GLU A 53 9.577 -1.999 -6.863 1.00 75.31 N ATOM 793 CA GLU A 53 8.335 -1.263 -6.657 1.00 51.13 C ATOM 794 C GLU A 53 7.258 -2.167 -6.065 1.00 73.22 C ATOM 795 O GLU A 53 6.396 -1.714 -5.311 1.00 23.21 O ATOM 796 CB GLU A 53 7.845 -0.666 -7.978 1.00 44.52 C ATOM 797 CG GLU A 53 8.080 0.831 -8.093 1.00 51.33 C ATOM 798 CD GLU A 53 8.503 1.250 -9.488 1.00 22.01 C ATOM 799 OE1 GLU A 53 9.668 0.990 -9.857 1.00 11.23 O ATOM 800 OE2 GLU A 53 7.671 1.837 -10.210 1.00 52.10 O ATOM 0 H GLU A 53 9.944 -1.951 -7.813 1.00 75.31 H new ATOM 0 HA GLU A 53 8.534 -0.455 -5.953 1.00 51.13 H new ATOM 0 HB2 GLU A 53 8.349 -1.169 -8.803 1.00 44.52 H new ATOM 0 HB3 GLU A 53 6.779 -0.867 -8.085 1.00 44.52 H new ATOM 0 HG2 GLU A 53 7.167 1.360 -7.820 1.00 51.33 H new ATOM 0 HG3 GLU A 53 8.848 1.130 -7.379 1.00 51.33 H new ATOM 807 N CYS A 54 7.313 -3.449 -6.413 1.00 55.50 N ATOM 808 CA CYS A 54 6.342 -4.418 -5.918 1.00 45.13 C ATOM 809 C CYS A 54 7.007 -5.424 -4.983 1.00 63.25 C ATOM 810 O CYS A 54 6.331 -6.194 -4.302 1.00 65.40 O ATOM 811 CB CYS A 54 5.681 -5.151 -7.087 1.00 51.31 C ATOM 812 SG CYS A 54 3.886 -5.392 -6.893 1.00 54.41 S ATOM 0 H CYS A 54 8.020 -3.841 -7.036 1.00 55.50 H new ATOM 0 HA CYS A 54 5.579 -3.878 -5.358 1.00 45.13 H new ATOM 0 HB2 CYS A 54 5.865 -4.591 -8.004 1.00 51.31 H new ATOM 0 HB3 CYS A 54 6.157 -6.124 -7.207 1.00 51.31 H new ATOM 817 N ALA A 55 8.336 -5.411 -4.957 1.00 40.13 N ATOM 818 CA ALA A 55 9.092 -6.320 -4.105 1.00 44.12 C ATOM 819 C ALA A 55 8.774 -6.085 -2.633 1.00 2.55 C ATOM 820 O ALA A 55 9.056 -6.931 -1.785 1.00 33.20 O ATOM 821 CB ALA A 55 10.585 -6.160 -4.357 1.00 35.43 C ATOM 0 H ALA A 55 8.911 -4.781 -5.516 1.00 40.13 H new ATOM 0 HA ALA A 55 8.800 -7.340 -4.354 1.00 44.12 H new ATOM 0 HB1 ALA A 55 11.138 -6.845 -3.714 1.00 35.43 H new ATOM 0 HB2 ALA A 55 10.804 -6.385 -5.401 1.00 35.43 H new ATOM 0 HB3 ALA A 55 10.883 -5.135 -4.137 1.00 35.43 H new ATOM 827 N GLN A 56 8.187 -4.930 -2.336 1.00 10.30 N ATOM 828 CA GLN A 56 7.832 -4.584 -0.965 1.00 3.53 C ATOM 829 C GLN A 56 6.653 -5.420 -0.480 1.00 13.12 C ATOM 830 O GLN A 56 6.438 -5.570 0.722 1.00 32.11 O ATOM 831 CB GLN A 56 7.493 -3.095 -0.863 1.00 64.33 C ATOM 832 CG GLN A 56 8.489 -2.195 -1.576 1.00 4.42 C ATOM 833 CD GLN A 56 9.921 -2.455 -1.149 1.00 73.24 C ATOM 834 OE1 GLN A 56 10.500 -3.491 -1.478 1.00 33.12 O ATOM 835 NE2 GLN A 56 10.500 -1.514 -0.413 1.00 41.14 N ATOM 0 H GLN A 56 7.947 -4.218 -3.026 1.00 10.30 H new ATOM 0 HA GLN A 56 8.691 -4.798 -0.330 1.00 3.53 H new ATOM 0 HB2 GLN A 56 6.500 -2.927 -1.281 1.00 64.33 H new ATOM 0 HB3 GLN A 56 7.448 -2.812 0.189 1.00 64.33 H new ATOM 0 HG2 GLN A 56 8.402 -2.344 -2.652 1.00 4.42 H new ATOM 0 HG3 GLN A 56 8.238 -1.153 -1.377 1.00 4.42 H new ATOM 0 HE21 GLN A 56 9.983 -0.671 -0.164 1.00 41.14 H new ATOM 0 HE22 GLN A 56 11.462 -1.634 -0.097 1.00 41.14 H new ATOM 844 N GLY A 57 5.890 -5.963 -1.424 1.00 42.33 N ATOM 845 CA GLY A 57 4.741 -6.777 -1.073 1.00 43.23 C ATOM 846 C GLY A 57 4.264 -7.634 -2.228 1.00 73.25 C ATOM 847 O GLY A 57 3.064 -7.730 -2.485 1.00 15.32 O ATOM 0 H GLY A 57 6.047 -5.854 -2.426 1.00 42.33 H new ATOM 0 HA2 GLY A 57 4.998 -7.419 -0.230 1.00 43.23 H new ATOM 0 HA3 GLY A 57 3.928 -6.130 -0.745 1.00 43.23 H new ATOM 851 N SER A 58 5.205 -8.259 -2.929 1.00 1.32 N ATOM 852 CA SER A 58 4.874 -9.108 -4.067 1.00 23.21 C ATOM 853 C SER A 58 6.129 -9.755 -4.645 1.00 23.32 C ATOM 854 O SER A 58 6.332 -10.964 -4.521 1.00 42.53 O ATOM 855 CB SER A 58 4.163 -8.293 -5.149 1.00 34.43 C ATOM 856 OG SER A 58 3.210 -9.084 -5.838 1.00 54.42 O ATOM 0 H SER A 58 6.203 -8.193 -2.728 1.00 1.32 H new ATOM 0 HA SER A 58 4.207 -9.896 -3.718 1.00 23.21 H new ATOM 0 HB2 SER A 58 3.668 -7.434 -4.696 1.00 34.43 H new ATOM 0 HB3 SER A 58 4.896 -7.903 -5.855 1.00 34.43 H new ATOM 0 HG SER A 58 3.244 -8.878 -6.795 1.00 54.42 H new ATOM 862 N CYS A 59 6.969 -8.942 -5.277 1.00 22.24 N ATOM 863 CA CYS A 59 8.205 -9.433 -5.875 1.00 13.21 C ATOM 864 C CYS A 59 9.251 -9.722 -4.802 1.00 60.14 C ATOM 865 O CYS A 59 9.012 -10.507 -3.885 1.00 23.33 O ATOM 866 CB CYS A 59 8.752 -8.412 -6.875 1.00 21.42 C ATOM 867 SG CYS A 59 10.436 -8.779 -7.465 1.00 3.25 S ATOM 0 H CYS A 59 6.816 -7.940 -5.388 1.00 22.24 H new ATOM 0 HA CYS A 59 7.982 -10.362 -6.399 1.00 13.21 H new ATOM 0 HB2 CYS A 59 8.081 -8.363 -7.732 1.00 21.42 H new ATOM 0 HB3 CYS A 59 8.748 -7.426 -6.410 1.00 21.42 H new TER 872 CYS A 59