USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 485 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 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 26 ASN : amide:sc= -0.355 X(o=-0.35,f=-0.25) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -0.719 K(o=-0.77,f=0.47) USER MOD Set 2.2: A 12 ASN : amide:sc= -0.539 K(o=-0.77,f=0.46) USER MOD Set 2.3: A 43 ASN : amide:sc= 0.485 K(o=-0.77,f=-0.069) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.5) USER MOD Single : A 28 LYS NZ :NH3+ -137:sc= 0.00196 (180deg=-0.0898) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0302) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -69:sc= 0.321 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.847 K(o=-0.85,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -150:sc= -0.44 USER MOD Single : A 56 THR OG1 : rot -35:sc= 0.153 USER MOD Single : A 60 LYS NZ :NH3+ -139:sc= -0.013 (180deg=-0.817) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -13.118 -5.718 -1.600 1.00 0.00 N ATOM 35 CA LEU A 3 -12.059 -5.217 -0.715 1.00 0.00 C ATOM 36 C LEU A 3 -11.287 -6.423 -0.144 1.00 0.00 C ATOM 37 O LEU A 3 -11.370 -6.762 1.035 1.00 0.00 O ATOM 38 CB LEU A 3 -12.625 -4.234 0.331 1.00 0.00 C ATOM 39 CG LEU A 3 -13.588 -4.722 1.436 1.00 0.00 C ATOM 40 CD1 LEU A 3 -14.183 -3.476 2.111 1.00 0.00 C ATOM 41 CD2 LEU A 3 -14.735 -5.626 0.959 1.00 0.00 C ATOM 0 HA LEU A 3 -11.334 -4.617 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.773 -3.772 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.140 -3.445 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.000 -5.342 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.870 -3.783 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.380 -2.877 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.721 -2.883 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -15.351 -5.912 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.346 -5.087 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.323 -6.521 0.492 1.00 0.00 H new ATOM 53 N ARG A 4 -10.523 -7.058 -1.042 1.00 0.00 N ATOM 54 CA ARG A 4 -9.695 -8.249 -0.887 1.00 0.00 C ATOM 55 C ARG A 4 -8.447 -8.060 -0.019 1.00 0.00 C ATOM 56 O ARG A 4 -8.113 -6.950 0.393 1.00 0.00 O ATOM 57 CB ARG A 4 -9.337 -8.746 -2.304 1.00 0.00 C ATOM 58 CG ARG A 4 -8.540 -7.714 -3.128 1.00 0.00 C ATOM 59 CD ARG A 4 -8.247 -8.210 -4.549 1.00 0.00 C ATOM 60 NE ARG A 4 -9.485 -8.370 -5.329 1.00 0.00 N ATOM 61 CZ ARG A 4 -9.563 -8.856 -6.581 1.00 0.00 C ATOM 62 NH1 ARG A 4 -8.461 -9.188 -7.271 1.00 0.00 N ATOM 63 NH2 ARG A 4 -10.767 -9.013 -7.148 1.00 0.00 N ATOM 0 H ARG A 4 -10.468 -6.706 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.271 -8.992 -0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.755 -9.664 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -10.255 -8.996 -2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.101 -6.781 -3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.601 -7.494 -2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.586 -7.505 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.719 -9.163 -4.502 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.358 -8.089 -4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.540 -9.074 -6.847 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.544 -9.555 -8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.610 -8.765 -6.631 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.840 -9.380 -8.097 1.00 0.00 H new ATOM 77 N LYS A 5 -7.757 -9.184 0.243 1.00 0.00 N ATOM 78 CA LYS A 5 -6.542 -9.263 1.051 1.00 0.00 C ATOM 79 C LYS A 5 -5.348 -8.534 0.429 1.00 0.00 C ATOM 80 O LYS A 5 -4.335 -8.376 1.102 1.00 0.00 O ATOM 81 CB LYS A 5 -6.204 -10.734 1.371 1.00 0.00 C ATOM 82 CG LYS A 5 -7.091 -11.359 2.463 1.00 0.00 C ATOM 83 CD LYS A 5 -8.560 -11.549 2.050 1.00 0.00 C ATOM 84 CE LYS A 5 -9.341 -12.390 3.071 1.00 0.00 C ATOM 85 NZ LYS A 5 -9.437 -11.726 4.384 1.00 0.00 N ATOM 0 H LYS A 5 -8.047 -10.093 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.750 -8.738 1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.298 -11.324 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.162 -10.796 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.676 -12.327 2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.054 -10.728 3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.036 -10.574 1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.603 -12.032 1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.344 -12.583 2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.854 -13.358 3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.972 -12.330 5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.482 -11.565 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.925 -10.814 4.277 1.00 0.00 H new ATOM 99 N LEU A 6 -5.445 -8.097 -0.832 1.00 0.00 N ATOM 100 CA LEU A 6 -4.418 -7.300 -1.505 1.00 0.00 C ATOM 101 C LEU A 6 -4.240 -5.984 -0.736 1.00 0.00 C ATOM 102 O LEU A 6 -3.149 -5.433 -0.650 1.00 0.00 O ATOM 103 CB LEU A 6 -4.880 -6.987 -2.940 1.00 0.00 C ATOM 104 CG LEU A 6 -3.835 -6.578 -3.998 1.00 0.00 C ATOM 105 CD1 LEU A 6 -2.913 -5.434 -3.566 1.00 0.00 C ATOM 106 CD2 LEU A 6 -3.009 -7.779 -4.467 1.00 0.00 C ATOM 0 H LEU A 6 -6.254 -8.292 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.477 -7.849 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.399 -7.868 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.616 -6.185 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.421 -6.196 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.210 -5.211 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.510 -4.548 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.362 -5.728 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.283 -7.453 -5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.485 -8.215 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.670 -8.526 -4.907 1.00 0.00 H new ATOM 118 N CYS A 7 -5.352 -5.511 -0.168 1.00 0.00 N ATOM 119 CA CYS A 7 -5.488 -4.284 0.602 1.00 0.00 C ATOM 120 C CYS A 7 -4.976 -4.453 2.037 1.00 0.00 C ATOM 121 O CYS A 7 -4.684 -3.449 2.682 1.00 0.00 O ATOM 122 CB CYS A 7 -6.967 -3.875 0.571 1.00 0.00 C ATOM 123 SG CYS A 7 -7.665 -3.808 -1.107 1.00 0.00 S ATOM 0 H CYS A 7 -6.237 -6.013 -0.242 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.875 -3.499 0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.544 -4.581 1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.076 -2.897 1.041 1.00 0.00 H new ATOM 128 N ILE A 8 -4.870 -5.701 2.527 1.00 0.00 N ATOM 129 CA ILE A 8 -4.400 -6.060 3.865 1.00 0.00 C ATOM 130 C ILE A 8 -3.371 -7.197 3.733 1.00 0.00 C ATOM 131 O ILE A 8 -3.401 -8.157 4.503 1.00 0.00 O ATOM 132 CB ILE A 8 -5.607 -6.441 4.773 1.00 0.00 C ATOM 133 CG1 ILE A 8 -6.793 -5.462 4.643 1.00 0.00 C ATOM 134 CG2 ILE A 8 -5.202 -6.498 6.263 1.00 0.00 C ATOM 135 CD1 ILE A 8 -6.478 -4.055 5.167 1.00 0.00 C ATOM 0 H ILE A 8 -5.122 -6.519 1.972 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.909 -5.213 4.344 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.921 -7.425 4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.087 -5.395 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.647 -5.863 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.069 -6.767 6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.420 -7.245 6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.830 -5.522 6.577 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.354 -3.417 5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.213 -4.111 6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.643 -3.636 4.605 1.00 0.00 H new ATOM 147 N LEU A 9 -2.451 -7.104 2.753 1.00 0.00 N ATOM 148 CA LEU A 9 -1.410 -8.113 2.536 1.00 0.00 C ATOM 149 C LEU A 9 -0.150 -7.778 3.364 1.00 0.00 C ATOM 150 O LEU A 9 0.931 -8.260 3.032 1.00 0.00 O ATOM 151 CB LEU A 9 -1.096 -8.236 1.020 1.00 0.00 C ATOM 152 CG LEU A 9 -1.081 -9.698 0.519 1.00 0.00 C ATOM 153 CD1 LEU A 9 -0.762 -9.737 -0.983 1.00 0.00 C ATOM 154 CD2 LEU A 9 -0.083 -10.604 1.262 1.00 0.00 C ATOM 0 H LEU A 9 -2.413 -6.327 2.094 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.771 -9.083 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.838 -7.672 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.127 -7.779 0.818 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.078 -10.089 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.754 -10.771 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.521 -9.179 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.216 -9.288 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.133 -11.613 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.926 -10.212 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.335 -10.630 2.322 1.00 0.00 H new ATOM 166 N HIS A 10 -0.288 -6.975 4.437 1.00 0.00 N ATOM 167 CA HIS A 10 0.753 -6.516 5.352 1.00 0.00 C ATOM 168 C HIS A 10 1.789 -5.675 4.597 1.00 0.00 C ATOM 169 O HIS A 10 2.598 -6.199 3.832 1.00 0.00 O ATOM 170 CB HIS A 10 1.397 -7.693 6.105 1.00 0.00 C ATOM 171 CG HIS A 10 2.490 -7.307 7.078 1.00 0.00 C ATOM 172 ND1 HIS A 10 2.552 -6.042 7.667 1.00 0.00 N ATOM 173 CD2 HIS A 10 3.545 -8.054 7.533 1.00 0.00 C ATOM 174 CE1 HIS A 10 3.649 -6.070 8.428 1.00 0.00 C ATOM 175 NE2 HIS A 10 4.281 -7.253 8.380 1.00 0.00 N ATOM 0 H HIS A 10 -1.203 -6.607 4.699 1.00 0.00 H new ATOM 0 HA HIS A 10 0.295 -5.878 6.108 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.618 -8.226 6.650 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.810 -8.390 5.375 1.00 0.00 H new ATOM 0 HD2 HIS A 10 3.760 -9.081 7.276 1.00 0.00 H new ATOM 0 HE1 HIS A 10 3.990 -5.232 9.018 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.137 -7.509 8.873 1.00 0.00 H new ATOM 183 N ARG A 11 1.764 -4.360 4.840 1.00 0.00 N ATOM 184 CA ARG A 11 2.650 -3.381 4.243 1.00 0.00 C ATOM 185 C ARG A 11 4.105 -3.669 4.652 1.00 0.00 C ATOM 186 O ARG A 11 4.363 -4.027 5.802 1.00 0.00 O ATOM 187 CB ARG A 11 2.149 -1.974 4.641 1.00 0.00 C ATOM 188 CG ARG A 11 2.796 -1.288 5.856 1.00 0.00 C ATOM 189 CD ARG A 11 2.390 -1.927 7.193 1.00 0.00 C ATOM 190 NE ARG A 11 3.058 -1.268 8.326 1.00 0.00 N ATOM 191 CZ ARG A 11 4.354 -1.399 8.670 1.00 0.00 C ATOM 192 NH1 ARG A 11 5.182 -2.216 8.000 1.00 0.00 N ATOM 193 NH2 ARG A 11 4.832 -0.692 9.705 1.00 0.00 N ATOM 0 H ARG A 11 1.095 -3.942 5.486 1.00 0.00 H new ATOM 0 HA ARG A 11 2.638 -3.436 3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.280 -1.318 3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.078 -2.043 4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.880 -1.329 5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.516 -0.235 5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.309 -1.860 7.317 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.645 -2.987 7.184 1.00 0.00 H new ATOM 0 HE ARG A 11 2.486 -0.654 8.906 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.834 -2.757 7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.159 -2.296 8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.216 -0.064 10.222 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.811 -0.782 9.975 1.00 0.00 H new ATOM 207 N ASN A 12 5.054 -3.543 3.712 1.00 0.00 N ATOM 208 CA ASN A 12 6.473 -3.794 3.961 1.00 0.00 C ATOM 209 C ASN A 12 7.337 -2.956 3.008 1.00 0.00 C ATOM 210 O ASN A 12 7.144 -3.051 1.795 1.00 0.00 O ATOM 211 CB ASN A 12 6.799 -5.290 3.763 1.00 0.00 C ATOM 212 CG ASN A 12 6.406 -6.147 4.970 1.00 0.00 C ATOM 213 OD1 ASN A 12 7.140 -6.212 5.954 1.00 0.00 O ATOM 214 ND2 ASN A 12 5.250 -6.809 4.904 1.00 0.00 N ATOM 0 H ASN A 12 4.852 -3.262 2.753 1.00 0.00 H new ATOM 0 HA ASN A 12 6.693 -3.512 4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.279 -5.657 2.878 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.867 -5.403 3.575 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.951 -7.392 5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.665 -6.732 4.072 1.00 0.00 H new ATOM 221 N PRO A 13 8.296 -2.155 3.524 1.00 0.00 N ATOM 222 CA PRO A 13 9.187 -1.338 2.720 1.00 0.00 C ATOM 223 C PRO A 13 10.251 -2.260 2.106 1.00 0.00 C ATOM 224 O PRO A 13 11.323 -2.442 2.681 1.00 0.00 O ATOM 225 CB PRO A 13 9.774 -0.282 3.668 1.00 0.00 C ATOM 226 CG PRO A 13 9.759 -0.992 5.018 1.00 0.00 C ATOM 227 CD PRO A 13 8.472 -1.809 4.924 1.00 0.00 C ATOM 0 HA PRO A 13 8.693 -0.828 1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.783 0.008 3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.173 0.627 3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.636 -1.624 5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 13 9.737 -0.288 5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.538 -2.707 5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.621 -1.234 5.290 1.00 0.00 H new ATOM 235 N GLY A 14 9.925 -2.850 0.947 1.00 0.00 N ATOM 236 CA GLY A 14 10.743 -3.784 0.180 1.00 0.00 C ATOM 237 C GLY A 14 12.236 -3.457 0.159 1.00 0.00 C ATOM 238 O GLY A 14 12.665 -2.555 -0.557 1.00 0.00 O ATOM 0 H GLY A 14 9.027 -2.673 0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.610 -4.785 0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.376 -3.809 -0.846 1.00 0.00 H new ATOM 242 N ARG A 15 13.006 -4.229 0.939 1.00 0.00 N ATOM 243 CA ARG A 15 14.453 -4.137 1.132 1.00 0.00 C ATOM 244 C ARG A 15 15.176 -4.053 -0.220 1.00 0.00 C ATOM 245 O ARG A 15 15.380 -5.073 -0.879 1.00 0.00 O ATOM 246 CB ARG A 15 14.942 -5.355 1.943 1.00 0.00 C ATOM 247 CG ARG A 15 14.287 -5.546 3.325 1.00 0.00 C ATOM 248 CD ARG A 15 14.630 -4.444 4.337 1.00 0.00 C ATOM 249 NE ARG A 15 13.844 -3.218 4.118 1.00 0.00 N ATOM 250 CZ ARG A 15 14.220 -1.962 4.425 1.00 0.00 C ATOM 251 NH1 ARG A 15 15.451 -1.681 4.881 1.00 0.00 N ATOM 252 NH2 ARG A 15 13.339 -0.964 4.274 1.00 0.00 N ATOM 0 H ARG A 15 12.601 -4.987 1.489 1.00 0.00 H new ATOM 0 HA ARG A 15 14.683 -3.227 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 15 14.769 -6.255 1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.020 -5.267 2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.205 -5.586 3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.597 -6.508 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.450 -4.813 5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 15 15.692 -4.209 4.268 1.00 0.00 H new ATOM 0 HE ARG A 15 12.924 -3.331 3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 15 16.133 -2.430 5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 15 15.705 -0.719 5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.399 -1.161 3.931 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.608 -0.007 4.502 1.00 0.00 H new ATOM 266 N CYS A 16 15.563 -2.832 -0.621 1.00 0.00 N ATOM 267 CA CYS A 16 16.238 -2.558 -1.890 1.00 0.00 C ATOM 268 C CYS A 16 17.166 -1.328 -1.808 1.00 0.00 C ATOM 269 O CYS A 16 17.716 -0.926 -2.834 1.00 0.00 O ATOM 270 CB CYS A 16 15.145 -2.344 -2.956 1.00 0.00 C ATOM 271 SG CYS A 16 15.641 -2.554 -4.692 1.00 0.00 S ATOM 0 H CYS A 16 15.411 -1.995 -0.059 1.00 0.00 H new ATOM 0 HA CYS A 16 16.879 -3.401 -2.148 1.00 0.00 H new ATOM 0 HB2 CYS A 16 14.329 -3.037 -2.750 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.746 -1.337 -2.836 1.00 0.00 H new ATOM 276 N TYR A 17 17.353 -0.729 -0.616 1.00 0.00 N ATOM 277 CA TYR A 17 18.192 0.448 -0.376 1.00 0.00 C ATOM 278 C TYR A 17 17.672 1.649 -1.185 1.00 0.00 C ATOM 279 O TYR A 17 18.364 2.182 -2.052 1.00 0.00 O ATOM 280 CB TYR A 17 19.685 0.123 -0.615 1.00 0.00 C ATOM 281 CG TYR A 17 20.137 -1.234 -0.087 1.00 0.00 C ATOM 282 CD1 TYR A 17 20.333 -1.409 1.302 1.00 0.00 C ATOM 283 CD2 TYR A 17 20.332 -2.328 -0.963 1.00 0.00 C ATOM 284 CE1 TYR A 17 20.699 -2.671 1.814 1.00 0.00 C ATOM 285 CE2 TYR A 17 20.693 -3.592 -0.450 1.00 0.00 C ATOM 286 CZ TYR A 17 20.875 -3.765 0.940 1.00 0.00 C ATOM 287 OH TYR A 17 21.219 -4.988 1.442 1.00 0.00 O ATOM 0 H TYR A 17 16.904 -1.069 0.235 1.00 0.00 H new ATOM 0 HA TYR A 17 18.124 0.737 0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 17 19.885 0.165 -1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.291 0.899 -0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 17 20.202 -0.573 1.973 1.00 0.00 H new ATOM 0 HD2 TYR A 17 20.204 -2.195 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 17 20.845 -2.800 2.876 1.00 0.00 H new ATOM 0 HE2 TYR A 17 20.830 -4.428 -1.120 1.00 0.00 H new ATOM 0 HH TYR A 17 21.300 -5.632 0.708 1.00 0.00 H new ATOM 297 N GLN A 18 16.433 2.063 -0.878 1.00 0.00 N ATOM 298 CA GLN A 18 15.708 3.167 -1.508 1.00 0.00 C ATOM 299 C GLN A 18 14.549 3.605 -0.586 1.00 0.00 C ATOM 300 O GLN A 18 14.343 3.035 0.486 1.00 0.00 O ATOM 301 CB GLN A 18 15.226 2.681 -2.898 1.00 0.00 C ATOM 302 CG GLN A 18 14.640 3.750 -3.838 1.00 0.00 C ATOM 303 CD GLN A 18 15.592 4.928 -4.068 1.00 0.00 C ATOM 304 OE1 GLN A 18 16.679 4.749 -4.613 1.00 0.00 O ATOM 305 NE2 GLN A 18 15.192 6.136 -3.659 1.00 0.00 N ATOM 0 H GLN A 18 15.886 1.611 -0.146 1.00 0.00 H new ATOM 0 HA GLN A 18 16.340 4.043 -1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.067 2.207 -3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.470 1.910 -2.746 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.400 3.291 -4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.705 4.122 -3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.283 6.247 -3.210 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.796 6.947 -3.796 1.00 0.00 H new ATOM 314 N LYS A 19 13.808 4.647 -0.983 1.00 0.00 N ATOM 315 CA LYS A 19 12.679 5.253 -0.369 1.00 0.00 C ATOM 316 C LYS A 19 11.916 5.856 -1.564 1.00 0.00 C ATOM 317 O LYS A 19 12.446 6.565 -2.421 1.00 0.00 O ATOM 318 CB LYS A 19 13.093 6.358 0.575 1.00 0.00 C ATOM 319 CG LYS A 19 12.019 6.709 1.603 1.00 0.00 C ATOM 320 CD LYS A 19 12.376 8.115 2.077 1.00 0.00 C ATOM 321 CE LYS A 19 11.546 8.538 3.296 1.00 0.00 C ATOM 322 NZ LYS A 19 11.877 9.906 3.727 1.00 0.00 N ATOM 0 H LYS A 19 14.038 5.125 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 19 12.097 4.546 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.002 6.059 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.337 7.249 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.024 6.682 1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.018 6.001 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.436 8.155 2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.214 8.824 1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.485 8.479 3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.724 7.844 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.298 10.160 4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.884 9.956 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.683 10.571 2.951 1.00 0.00 H new ATOM 336 N ILE A 20 10.657 5.516 -1.553 1.00 0.00 N ATOM 337 CA ILE A 20 9.578 5.852 -2.470 1.00 0.00 C ATOM 338 C ILE A 20 8.289 5.904 -1.645 1.00 0.00 C ATOM 339 O ILE A 20 7.593 4.893 -1.560 1.00 0.00 O ATOM 340 CB ILE A 20 9.415 4.817 -3.624 1.00 0.00 C ATOM 341 CG1 ILE A 20 10.692 4.391 -4.375 1.00 0.00 C ATOM 342 CG2 ILE A 20 8.381 5.386 -4.616 1.00 0.00 C ATOM 343 CD1 ILE A 20 11.276 5.427 -5.336 1.00 0.00 C ATOM 0 H ILE A 20 10.308 4.917 -0.805 1.00 0.00 H new ATOM 0 HA ILE A 20 9.805 6.806 -2.945 1.00 0.00 H new ATOM 0 HB ILE A 20 9.094 3.891 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.455 4.135 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.474 3.483 -4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.242 4.685 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.431 5.537 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.738 6.339 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 20 12.171 5.021 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.539 5.669 -6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 20 11.535 6.330 -4.784 1.00 0.00 H new ATOM 355 N PRO A 21 7.929 7.037 -1.019 1.00 0.00 N ATOM 356 CA PRO A 21 6.700 7.089 -0.258 1.00 0.00 C ATOM 357 C PRO A 21 5.506 6.931 -1.206 1.00 0.00 C ATOM 358 O PRO A 21 5.445 7.534 -2.279 1.00 0.00 O ATOM 359 CB PRO A 21 6.675 8.393 0.513 1.00 0.00 C ATOM 360 CG PRO A 21 8.027 9.061 0.220 1.00 0.00 C ATOM 361 CD PRO A 21 8.615 8.314 -0.985 1.00 0.00 C ATOM 0 HA PRO A 21 6.639 6.272 0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.846 9.024 0.192 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.546 8.217 1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.899 10.120 -0.002 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.690 8.994 1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.455 8.871 -1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.691 8.179 -0.877 1.00 0.00 H new ATOM 369 N ALA A 22 4.577 6.089 -0.766 1.00 0.00 N ATOM 370 CA ALA A 22 3.344 5.732 -1.470 1.00 0.00 C ATOM 371 C ALA A 22 2.181 5.649 -0.470 1.00 0.00 C ATOM 372 O ALA A 22 2.164 6.428 0.483 1.00 0.00 O ATOM 373 CB ALA A 22 3.608 4.433 -2.250 1.00 0.00 C ATOM 0 H ALA A 22 4.664 5.613 0.132 1.00 0.00 H new ATOM 0 HA ALA A 22 3.047 6.491 -2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.705 4.141 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.417 4.594 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.889 3.642 -1.555 1.00 0.00 H new ATOM 379 N PHE A 23 1.202 4.747 -0.679 1.00 0.00 N ATOM 380 CA PHE A 23 0.048 4.573 0.204 1.00 0.00 C ATOM 381 C PHE A 23 -0.293 3.077 0.417 1.00 0.00 C ATOM 382 O PHE A 23 0.083 2.208 -0.370 1.00 0.00 O ATOM 383 CB PHE A 23 -1.182 5.262 -0.401 1.00 0.00 C ATOM 384 CG PHE A 23 -1.030 6.736 -0.760 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.582 7.133 -2.042 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.346 7.725 0.197 1.00 0.00 C ATOM 387 CE1 PHE A 23 -0.394 8.501 -2.336 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.150 9.090 -0.091 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.669 9.479 -1.358 1.00 0.00 C ATOM 0 H PHE A 23 1.197 4.114 -1.479 1.00 0.00 H new ATOM 0 HA PHE A 23 0.309 5.017 1.165 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.468 4.719 -1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.008 5.166 0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.383 6.388 -2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.742 7.432 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.039 8.799 -3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.368 9.837 0.658 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.511 10.524 -1.579 1.00 0.00 H new ATOM 399 N TYR A 24 -1.060 2.821 1.485 1.00 0.00 N ATOM 400 CA TYR A 24 -1.585 1.549 1.993 1.00 0.00 C ATOM 401 C TYR A 24 -3.030 1.761 2.477 1.00 0.00 C ATOM 402 O TYR A 24 -3.303 2.781 3.106 1.00 0.00 O ATOM 403 CB TYR A 24 -0.673 0.993 3.110 1.00 0.00 C ATOM 404 CG TYR A 24 -1.148 1.168 4.550 1.00 0.00 C ATOM 405 CD1 TYR A 24 -0.967 2.399 5.223 1.00 0.00 C ATOM 406 CD2 TYR A 24 -1.809 0.106 5.210 1.00 0.00 C ATOM 407 CE1 TYR A 24 -1.430 2.558 6.546 1.00 0.00 C ATOM 408 CE2 TYR A 24 -2.294 0.274 6.524 1.00 0.00 C ATOM 409 CZ TYR A 24 -2.096 1.498 7.196 1.00 0.00 C ATOM 410 OH TYR A 24 -2.545 1.652 8.476 1.00 0.00 O ATOM 0 H TYR A 24 -1.362 3.591 2.082 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.595 0.805 1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.528 -0.072 2.929 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.304 1.468 3.016 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.473 3.219 4.723 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.943 -0.839 4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.274 3.494 7.062 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.816 -0.534 7.015 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.981 0.826 8.771 1.00 0.00 H new ATOM 420 N TYR A 25 -3.935 0.784 2.280 1.00 0.00 N ATOM 421 CA TYR A 25 -5.339 0.929 2.677 1.00 0.00 C ATOM 422 C TYR A 25 -5.494 0.703 4.179 1.00 0.00 C ATOM 423 O TYR A 25 -5.264 -0.410 4.656 1.00 0.00 O ATOM 424 CB TYR A 25 -6.240 -0.045 1.900 1.00 0.00 C ATOM 425 CG TYR A 25 -7.720 0.244 2.117 1.00 0.00 C ATOM 426 CD1 TYR A 25 -8.292 1.404 1.546 1.00 0.00 C ATOM 427 CD2 TYR A 25 -8.522 -0.612 2.907 1.00 0.00 C ATOM 428 CE1 TYR A 25 -9.645 1.720 1.782 1.00 0.00 C ATOM 429 CE2 TYR A 25 -9.882 -0.302 3.130 1.00 0.00 C ATOM 430 CZ TYR A 25 -10.438 0.876 2.586 1.00 0.00 C ATOM 431 OH TYR A 25 -11.746 1.190 2.824 1.00 0.00 O ATOM 0 H TYR A 25 -3.714 -0.113 1.848 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.651 1.946 2.437 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.011 0.020 0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.021 -1.067 2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.689 2.051 0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.094 -1.504 3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.075 2.610 1.346 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.497 -0.967 3.718 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.149 0.503 3.396 1.00 0.00 H new ATOM 441 N ASN A 26 -5.897 1.757 4.915 1.00 0.00 N ATOM 442 CA ASN A 26 -6.079 1.698 6.354 1.00 0.00 C ATOM 443 C ASN A 26 -7.555 1.414 6.678 1.00 0.00 C ATOM 444 O ASN A 26 -8.417 2.188 6.265 1.00 0.00 O ATOM 445 CB ASN A 26 -5.649 3.065 6.918 1.00 0.00 C ATOM 446 CG ASN A 26 -5.696 3.188 8.445 1.00 0.00 C ATOM 447 OD1 ASN A 26 -5.944 4.275 8.962 1.00 0.00 O ATOM 448 ND2 ASN A 26 -5.455 2.099 9.179 1.00 0.00 N ATOM 0 H ASN A 26 -6.103 2.672 4.513 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.483 0.901 6.798 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.633 3.274 6.584 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.290 3.835 6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.474 2.156 10.197 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.252 1.210 8.721 1.00 0.00 H new ATOM 455 N GLN A 27 -7.856 0.333 7.418 1.00 0.00 N ATOM 456 CA GLN A 27 -9.219 -0.050 7.805 1.00 0.00 C ATOM 457 C GLN A 27 -9.627 0.582 9.146 1.00 0.00 C ATOM 458 O GLN A 27 -10.134 -0.093 10.041 1.00 0.00 O ATOM 459 CB GLN A 27 -9.343 -1.581 7.842 1.00 0.00 C ATOM 460 CG GLN A 27 -9.010 -2.166 6.467 1.00 0.00 C ATOM 461 CD GLN A 27 -9.446 -3.628 6.324 1.00 0.00 C ATOM 462 OE1 GLN A 27 -9.342 -4.409 7.268 1.00 0.00 O ATOM 463 NE2 GLN A 27 -9.932 -4.008 5.138 1.00 0.00 N ATOM 0 H GLN A 27 -7.144 -0.308 7.769 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.910 0.335 7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.669 -1.991 8.594 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.354 -1.865 8.132 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.496 -1.569 5.695 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.936 -2.093 6.296 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.004 -3.333 4.377 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.231 -4.973 4.995 1.00 0.00 H new ATOM 472 N LYS A 28 -9.400 1.895 9.262 1.00 0.00 N ATOM 473 CA LYS A 28 -9.719 2.758 10.406 1.00 0.00 C ATOM 474 C LYS A 28 -10.304 4.058 9.839 1.00 0.00 C ATOM 475 O LYS A 28 -11.311 4.591 10.304 1.00 0.00 O ATOM 476 CB LYS A 28 -8.468 3.025 11.268 1.00 0.00 C ATOM 477 CG LYS A 28 -7.776 1.760 11.806 1.00 0.00 C ATOM 478 CD LYS A 28 -8.618 1.017 12.858 1.00 0.00 C ATOM 479 CE LYS A 28 -7.937 -0.277 13.328 1.00 0.00 C ATOM 480 NZ LYS A 28 -7.855 -1.285 12.254 1.00 0.00 N ATOM 0 H LYS A 28 -8.958 2.419 8.507 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.441 2.275 11.064 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.750 3.592 10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.752 3.654 12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.565 1.086 10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.817 2.035 12.244 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.787 1.670 13.714 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.596 0.781 12.439 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.933 -0.048 13.686 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.490 -0.691 14.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.103 -2.220 12.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.518 -1.036 11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.887 -1.311 11.875 1.00 0.00 H new ATOM 494 N LYS A 29 -9.616 4.517 8.798 1.00 0.00 N ATOM 495 CA LYS A 29 -9.803 5.658 7.929 1.00 0.00 C ATOM 496 C LYS A 29 -10.725 5.339 6.797 1.00 0.00 C ATOM 497 O LYS A 29 -11.631 6.103 6.452 1.00 0.00 O ATOM 498 CB LYS A 29 -8.424 5.999 7.409 1.00 0.00 C ATOM 499 CG LYS A 29 -8.554 7.266 6.580 1.00 0.00 C ATOM 500 CD LYS A 29 -7.223 7.697 5.997 1.00 0.00 C ATOM 501 CE LYS A 29 -6.152 8.095 7.022 1.00 0.00 C ATOM 502 NZ LYS A 29 -6.598 9.185 7.906 1.00 0.00 N ATOM 0 H LYS A 29 -8.782 4.007 8.507 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.257 6.491 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.728 6.150 8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.029 5.183 6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.268 7.101 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.955 8.067 7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.832 6.883 5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.395 8.542 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.890 7.226 7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.248 8.403 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.813 9.475 8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.904 9.996 7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.393 8.855 8.490 1.00 0.00 H new ATOM 516 N LYS A 30 -10.400 4.207 6.198 1.00 0.00 N ATOM 517 CA LYS A 30 -11.118 3.652 5.100 1.00 0.00 C ATOM 518 C LYS A 30 -10.883 4.548 3.875 1.00 0.00 C ATOM 519 O LYS A 30 -11.788 5.163 3.314 1.00 0.00 O ATOM 520 CB LYS A 30 -12.547 3.449 5.636 1.00 0.00 C ATOM 521 CG LYS A 30 -12.661 2.022 6.198 1.00 0.00 C ATOM 522 CD LYS A 30 -14.053 1.408 6.006 1.00 0.00 C ATOM 523 CE LYS A 30 -15.130 2.177 6.783 1.00 0.00 C ATOM 524 NZ LYS A 30 -16.453 1.546 6.642 1.00 0.00 N ATOM 0 H LYS A 30 -9.600 3.642 6.484 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.804 2.677 4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.767 4.181 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.275 3.601 4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.920 1.387 5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.421 2.037 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.304 1.403 4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.040 0.369 6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.857 2.221 7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.176 3.205 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.157 2.091 7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.723 1.527 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.415 0.574 7.009 1.00 0.00 H new ATOM 538 N GLN A 31 -9.591 4.579 3.516 1.00 0.00 N ATOM 539 CA GLN A 31 -8.900 5.289 2.455 1.00 0.00 C ATOM 540 C GLN A 31 -7.431 4.836 2.542 1.00 0.00 C ATOM 541 O GLN A 31 -7.000 4.209 3.523 1.00 0.00 O ATOM 542 CB GLN A 31 -9.070 6.814 2.633 1.00 0.00 C ATOM 543 CG GLN A 31 -8.290 7.671 1.622 1.00 0.00 C ATOM 544 CD GLN A 31 -8.703 9.144 1.689 1.00 0.00 C ATOM 545 OE1 GLN A 31 -7.978 9.974 2.234 1.00 0.00 O ATOM 546 NE2 GLN A 31 -9.874 9.473 1.135 1.00 0.00 N ATOM 0 H GLN A 31 -8.921 4.023 4.047 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.303 5.066 1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.129 7.059 2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.753 7.086 3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.222 7.584 1.819 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.461 7.291 0.615 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.448 8.756 0.692 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.194 10.441 1.155 1.00 0.00 H new ATOM 555 N CYS A 32 -6.651 5.131 1.497 1.00 0.00 N ATOM 556 CA CYS A 32 -5.261 4.762 1.442 1.00 0.00 C ATOM 557 C CYS A 32 -4.433 5.820 2.152 1.00 0.00 C ATOM 558 O CYS A 32 -4.274 6.930 1.645 1.00 0.00 O ATOM 559 CB CYS A 32 -4.847 4.570 -0.013 1.00 0.00 C ATOM 560 SG CYS A 32 -3.808 3.136 -0.362 1.00 0.00 S ATOM 0 H CYS A 32 -6.980 5.633 0.672 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.090 3.816 1.956 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.750 4.495 -0.619 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.317 5.465 -0.340 1.00 0.00 H new ATOM 565 N GLU A 33 -3.947 5.484 3.351 1.00 0.00 N ATOM 566 CA GLU A 33 -3.096 6.348 4.128 1.00 0.00 C ATOM 567 C GLU A 33 -1.723 6.132 3.566 1.00 0.00 C ATOM 568 O GLU A 33 -1.375 5.076 3.052 1.00 0.00 O ATOM 569 CB GLU A 33 -3.130 5.986 5.597 1.00 0.00 C ATOM 570 CG GLU A 33 -2.631 7.015 6.599 1.00 0.00 C ATOM 571 CD GLU A 33 -1.120 7.031 6.821 1.00 0.00 C ATOM 572 OE1 GLU A 33 -0.600 5.993 7.283 1.00 0.00 O ATOM 573 OE2 GLU A 33 -0.512 8.089 6.545 1.00 0.00 O ATOM 0 H GLU A 33 -4.144 4.591 3.802 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.416 7.388 4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.160 5.740 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.542 5.078 5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.943 8.004 6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.120 6.833 7.556 1.00 0.00 H new ATOM 580 N GLY A 34 -0.923 7.154 3.732 1.00 0.00 N ATOM 581 CA GLY A 34 0.425 7.107 3.173 1.00 0.00 C ATOM 582 C GLY A 34 1.382 6.216 3.954 1.00 0.00 C ATOM 583 O GLY A 34 1.351 6.232 5.184 1.00 0.00 O ATOM 0 H GLY A 34 -1.161 8.010 4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.370 6.751 2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.830 8.118 3.139 1.00 0.00 H new ATOM 587 N PHE A 35 2.229 5.440 3.253 1.00 0.00 N ATOM 588 CA PHE A 35 3.167 4.556 3.939 1.00 0.00 C ATOM 589 C PHE A 35 4.511 4.670 3.192 1.00 0.00 C ATOM 590 O PHE A 35 4.536 4.887 1.976 1.00 0.00 O ATOM 591 CB PHE A 35 2.670 3.088 3.924 1.00 0.00 C ATOM 592 CG PHE A 35 2.945 2.174 2.736 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.667 2.545 1.409 1.00 0.00 C ATOM 594 CD2 PHE A 35 3.560 0.926 2.989 1.00 0.00 C ATOM 595 CE1 PHE A 35 2.928 1.648 0.350 1.00 0.00 C ATOM 596 CE2 PHE A 35 3.821 0.025 1.936 1.00 0.00 C ATOM 597 CZ PHE A 35 3.488 0.381 0.615 1.00 0.00 C ATOM 0 H PHE A 35 2.278 5.412 2.235 1.00 0.00 H new ATOM 0 HA PHE A 35 3.266 4.847 4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.089 2.601 4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.589 3.116 4.060 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.252 3.520 1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.833 0.660 4.000 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.698 1.933 -0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.274 -0.933 2.142 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.661 -0.314 -0.193 1.00 0.00 H new ATOM 607 N THR A 36 5.637 4.525 3.905 1.00 0.00 N ATOM 608 CA THR A 36 6.965 4.593 3.296 1.00 0.00 C ATOM 609 C THR A 36 7.247 3.243 2.624 1.00 0.00 C ATOM 610 O THR A 36 7.131 2.203 3.275 1.00 0.00 O ATOM 611 CB THR A 36 8.040 4.927 4.351 1.00 0.00 C ATOM 612 OG1 THR A 36 7.747 6.170 4.961 1.00 0.00 O ATOM 613 CG2 THR A 36 9.431 5.021 3.701 1.00 0.00 C ATOM 0 H THR A 36 5.649 4.359 4.911 1.00 0.00 H new ATOM 0 HA THR A 36 6.996 5.390 2.553 1.00 0.00 H new ATOM 0 HB THR A 36 8.039 4.131 5.095 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.432 6.375 5.631 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.174 5.257 4.463 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.680 4.068 3.235 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.426 5.805 2.944 1.00 0.00 H new ATOM 621 N TRP A 37 7.597 3.258 1.327 1.00 0.00 N ATOM 622 CA TRP A 37 7.915 2.065 0.545 1.00 0.00 C ATOM 623 C TRP A 37 9.332 2.212 -0.023 1.00 0.00 C ATOM 624 O TRP A 37 9.598 3.167 -0.741 1.00 0.00 O ATOM 625 CB TRP A 37 6.836 1.849 -0.536 1.00 0.00 C ATOM 626 CG TRP A 37 7.284 1.007 -1.691 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.854 -0.214 -1.624 1.00 0.00 C ATOM 628 CD2 TRP A 37 7.292 1.373 -3.099 1.00 0.00 C ATOM 629 NE1 TRP A 37 8.449 -0.498 -2.836 1.00 0.00 N ATOM 630 CE2 TRP A 37 8.142 0.457 -3.789 1.00 0.00 C ATOM 631 CE3 TRP A 37 6.718 2.424 -3.854 1.00 0.00 C ATOM 632 CZ2 TRP A 37 8.482 0.639 -5.145 1.00 0.00 C ATOM 633 CZ3 TRP A 37 6.940 2.527 -5.243 1.00 0.00 C ATOM 634 CH2 TRP A 37 7.859 1.667 -5.879 1.00 0.00 C ATOM 0 H TRP A 37 7.666 4.121 0.787 1.00 0.00 H new ATOM 0 HA TRP A 37 7.907 1.170 1.167 1.00 0.00 H new ATOM 0 HB2 TRP A 37 5.965 1.381 -0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 37 6.515 2.820 -0.912 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.846 -0.864 -0.761 1.00 0.00 H new ATOM 0 HE1 TRP A 37 9.041 -1.310 -3.008 1.00 0.00 H new ATOM 0 HE3 TRP A 37 6.100 3.158 -3.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.212 -0.003 -5.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 6.405 3.266 -5.821 1.00 0.00 H new ATOM 0 HH2 TRP A 37 8.085 1.796 -6.927 1.00 0.00 H new ATOM 645 N SER A 38 10.239 1.265 0.269 1.00 0.00 N ATOM 646 CA SER A 38 11.619 1.308 -0.212 1.00 0.00 C ATOM 647 C SER A 38 11.685 0.977 -1.709 1.00 0.00 C ATOM 648 O SER A 38 11.790 1.895 -2.521 1.00 0.00 O ATOM 649 CB SER A 38 12.511 0.390 0.640 1.00 0.00 C ATOM 650 OG SER A 38 12.755 0.973 1.902 1.00 0.00 O ATOM 0 H SER A 38 10.030 0.450 0.846 1.00 0.00 H new ATOM 0 HA SER A 38 12.005 2.321 -0.101 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.029 -0.579 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.456 0.211 0.126 1.00 0.00 H new ATOM 0 HG SER A 38 13.329 1.760 1.793 1.00 0.00 H new ATOM 656 N GLY A 39 11.630 -0.309 -2.087 1.00 0.00 N ATOM 657 CA GLY A 39 11.697 -0.716 -3.485 1.00 0.00 C ATOM 658 C GLY A 39 11.428 -2.212 -3.665 1.00 0.00 C ATOM 659 O GLY A 39 10.435 -2.735 -3.162 1.00 0.00 O ATOM 0 H GLY A 39 11.538 -1.086 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.970 -0.146 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.682 -0.475 -3.885 1.00 0.00 H new ATOM 663 N CYS A 40 12.323 -2.881 -4.406 1.00 0.00 N ATOM 664 CA CYS A 40 12.303 -4.301 -4.738 1.00 0.00 C ATOM 665 C CYS A 40 12.303 -5.191 -3.479 1.00 0.00 C ATOM 666 O CYS A 40 13.334 -5.371 -2.834 1.00 0.00 O ATOM 667 CB CYS A 40 13.487 -4.616 -5.683 1.00 0.00 C ATOM 668 SG CYS A 40 15.218 -4.520 -5.088 1.00 0.00 S ATOM 0 H CYS A 40 13.130 -2.408 -4.813 1.00 0.00 H new ATOM 0 HA CYS A 40 11.372 -4.531 -5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 40 13.334 -5.627 -6.061 1.00 0.00 H new ATOM 0 HB3 CYS A 40 13.404 -3.942 -6.535 1.00 0.00 H new ATOM 673 N GLY A 41 11.135 -5.755 -3.134 1.00 0.00 N ATOM 674 CA GLY A 41 10.937 -6.634 -1.983 1.00 0.00 C ATOM 675 C GLY A 41 9.563 -6.430 -1.335 1.00 0.00 C ATOM 676 O GLY A 41 8.737 -5.658 -1.823 1.00 0.00 O ATOM 0 H GLY A 41 10.279 -5.604 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.039 -7.672 -2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.717 -6.447 -1.245 1.00 0.00 H new ATOM 680 N GLY A 42 9.325 -7.132 -0.216 1.00 0.00 N ATOM 681 CA GLY A 42 8.082 -7.066 0.545 1.00 0.00 C ATOM 682 C GLY A 42 6.890 -7.668 -0.211 1.00 0.00 C ATOM 683 O GLY A 42 7.053 -8.293 -1.261 1.00 0.00 O ATOM 0 H GLY A 42 10.009 -7.772 0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.211 -7.594 1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.865 -6.026 0.788 1.00 0.00 H new ATOM 687 N ASN A 43 5.681 -7.473 0.336 1.00 0.00 N ATOM 688 CA ASN A 43 4.427 -7.964 -0.240 1.00 0.00 C ATOM 689 C ASN A 43 3.851 -6.908 -1.198 1.00 0.00 C ATOM 690 O ASN A 43 4.583 -6.064 -1.722 1.00 0.00 O ATOM 691 CB ASN A 43 3.429 -8.302 0.890 1.00 0.00 C ATOM 692 CG ASN A 43 4.033 -9.199 1.979 1.00 0.00 C ATOM 693 OD1 ASN A 43 4.770 -10.137 1.678 1.00 0.00 O ATOM 694 ND2 ASN A 43 3.729 -8.922 3.249 1.00 0.00 N ATOM 0 H ASN A 43 5.548 -6.960 1.207 1.00 0.00 H new ATOM 0 HA ASN A 43 4.613 -8.875 -0.809 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.077 -7.376 1.345 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.558 -8.798 0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.111 -9.495 4.001 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.115 -8.137 3.467 1.00 0.00 H new ATOM 701 N SER A 44 2.532 -6.961 -1.432 1.00 0.00 N ATOM 702 CA SER A 44 1.816 -6.034 -2.292 1.00 0.00 C ATOM 703 C SER A 44 1.416 -4.808 -1.450 1.00 0.00 C ATOM 704 O SER A 44 2.293 -4.127 -0.916 1.00 0.00 O ATOM 705 CB SER A 44 0.632 -6.763 -2.959 1.00 0.00 C ATOM 706 OG SER A 44 1.078 -7.850 -3.743 1.00 0.00 O ATOM 0 H SER A 44 1.928 -7.669 -1.015 1.00 0.00 H new ATOM 0 HA SER A 44 2.436 -5.669 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.056 -7.122 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.077 -6.064 -3.584 1.00 0.00 H new ATOM 0 HG SER A 44 0.307 -8.296 -4.153 1.00 0.00 H new ATOM 712 N ASN A 45 0.106 -4.535 -1.331 1.00 0.00 N ATOM 713 CA ASN A 45 -0.537 -3.417 -0.622 1.00 0.00 C ATOM 714 C ASN A 45 0.097 -2.029 -0.889 1.00 0.00 C ATOM 715 O ASN A 45 -0.096 -1.066 -0.149 1.00 0.00 O ATOM 716 CB ASN A 45 -0.751 -3.861 0.851 1.00 0.00 C ATOM 717 CG ASN A 45 -0.957 -2.762 1.902 1.00 0.00 C ATOM 718 OD1 ASN A 45 0.013 -2.375 2.547 1.00 0.00 O ATOM 719 ND2 ASN A 45 -2.182 -2.264 2.114 1.00 0.00 N ATOM 0 H ASN A 45 -0.589 -5.143 -1.765 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.525 -3.208 -1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.618 -4.521 0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.112 -4.455 1.151 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.325 -1.546 2.825 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.972 -2.602 1.565 1.00 0.00 H new ATOM 726 N ARG A 46 0.869 -1.952 -1.975 1.00 0.00 N ATOM 727 CA ARG A 46 1.583 -0.823 -2.526 1.00 0.00 C ATOM 728 C ARG A 46 0.742 -0.080 -3.572 1.00 0.00 C ATOM 729 O ARG A 46 0.602 -0.575 -4.690 1.00 0.00 O ATOM 730 CB ARG A 46 2.869 -1.410 -3.100 1.00 0.00 C ATOM 731 CG ARG A 46 3.827 -0.332 -3.625 1.00 0.00 C ATOM 732 CD ARG A 46 4.931 -0.971 -4.469 1.00 0.00 C ATOM 733 NE ARG A 46 5.732 -1.923 -3.684 1.00 0.00 N ATOM 734 CZ ARG A 46 6.732 -2.690 -4.155 1.00 0.00 C ATOM 735 NH1 ARG A 46 7.129 -2.614 -5.435 1.00 0.00 N ATOM 736 NH2 ARG A 46 7.352 -3.537 -3.322 1.00 0.00 N ATOM 0 H ARG A 46 1.019 -2.783 -2.548 1.00 0.00 H new ATOM 0 HA ARG A 46 1.805 -0.066 -1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.373 -1.994 -2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.621 -2.096 -3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.276 0.394 -4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.267 0.212 -2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.486 -1.485 -5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.580 -0.192 -4.869 1.00 0.00 H new ATOM 0 HE ARG A 46 5.509 -2.009 -2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.670 -1.964 -6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.890 -3.206 -5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.064 -3.594 -2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.112 -4.125 -3.665 1.00 0.00 H new ATOM 750 N PHE A 47 0.212 1.105 -3.244 1.00 0.00 N ATOM 751 CA PHE A 47 -0.590 1.952 -4.083 1.00 0.00 C ATOM 752 C PHE A 47 0.017 3.350 -4.195 1.00 0.00 C ATOM 753 O PHE A 47 0.169 4.041 -3.194 1.00 0.00 O ATOM 754 CB PHE A 47 -1.998 1.940 -3.516 1.00 0.00 C ATOM 755 CG PHE A 47 -2.541 0.586 -3.071 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.119 -0.272 -4.033 1.00 0.00 C ATOM 757 CD2 PHE A 47 -2.478 0.175 -1.723 1.00 0.00 C ATOM 758 CE1 PHE A 47 -3.724 -1.482 -3.633 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.108 -1.019 -1.315 1.00 0.00 C ATOM 760 CZ PHE A 47 -3.733 -1.847 -2.271 1.00 0.00 C ATOM 0 H PHE A 47 0.352 1.509 -2.318 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.622 1.584 -5.108 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.028 2.617 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.673 2.347 -4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.098 -0.001 -5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.946 0.777 -1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.180 -2.128 -4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.112 -1.299 -0.272 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.218 -2.760 -1.960 1.00 0.00 H new ATOM 770 N LYS A 48 0.343 3.759 -5.427 1.00 0.00 N ATOM 771 CA LYS A 48 0.970 5.008 -5.794 1.00 0.00 C ATOM 772 C LYS A 48 0.016 6.193 -5.991 1.00 0.00 C ATOM 773 O LYS A 48 0.232 7.240 -5.383 1.00 0.00 O ATOM 774 CB LYS A 48 1.706 4.711 -7.101 1.00 0.00 C ATOM 775 CG LYS A 48 2.842 3.710 -6.839 1.00 0.00 C ATOM 776 CD LYS A 48 3.562 3.339 -8.129 1.00 0.00 C ATOM 777 CE LYS A 48 2.747 2.409 -9.042 1.00 0.00 C ATOM 778 NZ LYS A 48 3.526 1.996 -10.222 1.00 0.00 N ATOM 0 H LYS A 48 0.157 3.175 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 48 1.615 5.329 -4.976 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.012 4.304 -7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.110 5.633 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.553 4.140 -6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.437 2.811 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.804 4.251 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.507 2.855 -7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.437 1.527 -8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.838 2.918 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.948 1.369 -10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.800 2.837 -10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.381 1.490 -9.914 1.00 0.00 H new ATOM 792 N THR A 49 -1.011 6.053 -6.846 1.00 0.00 N ATOM 793 CA THR A 49 -1.943 7.149 -7.158 1.00 0.00 C ATOM 794 C THR A 49 -3.062 7.409 -6.149 1.00 0.00 C ATOM 795 O THR A 49 -3.694 8.459 -6.241 1.00 0.00 O ATOM 796 CB THR A 49 -2.546 6.988 -8.573 1.00 0.00 C ATOM 797 OG1 THR A 49 -3.591 6.045 -8.568 1.00 0.00 O ATOM 798 CG2 THR A 49 -1.525 6.527 -9.626 1.00 0.00 C ATOM 0 H THR A 49 -1.217 5.183 -7.337 1.00 0.00 H new ATOM 0 HA THR A 49 -1.307 8.032 -7.102 1.00 0.00 H new ATOM 0 HB THR A 49 -2.904 7.982 -8.841 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.639 5.606 -9.443 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.017 6.435 -10.594 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.719 7.258 -9.696 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.114 5.560 -9.335 1.00 0.00 H new ATOM 806 N ILE A 50 -3.318 6.474 -5.228 1.00 0.00 N ATOM 807 CA ILE A 50 -4.368 6.520 -4.201 1.00 0.00 C ATOM 808 C ILE A 50 -5.727 6.075 -4.771 1.00 0.00 C ATOM 809 O ILE A 50 -6.550 5.479 -4.067 1.00 0.00 O ATOM 810 CB ILE A 50 -4.434 7.908 -3.481 1.00 0.00 C ATOM 811 CG1 ILE A 50 -4.505 7.703 -1.958 1.00 0.00 C ATOM 812 CG2 ILE A 50 -5.633 8.784 -3.909 1.00 0.00 C ATOM 813 CD1 ILE A 50 -4.507 9.019 -1.166 1.00 0.00 C ATOM 0 H ILE A 50 -2.768 5.616 -5.175 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.101 5.800 -3.427 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.527 8.435 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.407 7.140 -1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.656 7.097 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.606 9.728 -3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.576 8.981 -4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.563 8.262 -3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.559 8.802 -0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.593 9.574 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.371 9.617 -1.456 1.00 0.00 H new ATOM 825 N GLU A 51 -5.948 6.342 -6.064 1.00 0.00 N ATOM 826 CA GLU A 51 -7.177 6.000 -6.766 1.00 0.00 C ATOM 827 C GLU A 51 -7.195 4.500 -6.947 1.00 0.00 C ATOM 828 O GLU A 51 -8.189 3.835 -6.700 1.00 0.00 O ATOM 829 CB GLU A 51 -7.188 6.721 -8.119 1.00 0.00 C ATOM 830 CG GLU A 51 -7.164 8.249 -7.967 1.00 0.00 C ATOM 831 CD GLU A 51 -8.570 8.849 -7.896 1.00 0.00 C ATOM 832 OE1 GLU A 51 -9.257 8.572 -6.888 1.00 0.00 O ATOM 833 OE2 GLU A 51 -8.937 9.570 -8.849 1.00 0.00 O ATOM 0 H GLU A 51 -5.262 6.810 -6.656 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.061 6.308 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.325 6.403 -8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.077 6.428 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.613 8.513 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.627 8.687 -8.808 1.00 0.00 H new ATOM 840 N GLU A 52 -6.032 4.023 -7.366 1.00 0.00 N ATOM 841 CA GLU A 52 -5.614 2.662 -7.606 1.00 0.00 C ATOM 842 C GLU A 52 -5.837 1.787 -6.371 1.00 0.00 C ATOM 843 O GLU A 52 -6.085 0.587 -6.489 1.00 0.00 O ATOM 844 CB GLU A 52 -4.126 2.751 -8.006 1.00 0.00 C ATOM 845 CG GLU A 52 -3.730 1.650 -8.999 1.00 0.00 C ATOM 846 CD GLU A 52 -4.492 1.769 -10.323 1.00 0.00 C ATOM 847 OE1 GLU A 52 -4.188 2.723 -11.072 1.00 0.00 O ATOM 848 OE2 GLU A 52 -5.372 0.912 -10.561 1.00 0.00 O ATOM 0 H GLU A 52 -5.269 4.668 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.198 2.189 -8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.928 3.727 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.505 2.674 -7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.658 1.704 -9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.925 0.674 -8.555 1.00 0.00 H new ATOM 855 N CYS A 53 -5.738 2.405 -5.189 1.00 0.00 N ATOM 856 CA CYS A 53 -5.977 1.788 -3.906 1.00 0.00 C ATOM 857 C CYS A 53 -7.488 1.704 -3.751 1.00 0.00 C ATOM 858 O CYS A 53 -8.043 0.610 -3.664 1.00 0.00 O ATOM 859 CB CYS A 53 -5.370 2.657 -2.806 1.00 0.00 C ATOM 860 SG CYS A 53 -5.147 1.858 -1.203 1.00 0.00 S ATOM 0 H CYS A 53 -5.478 3.388 -5.111 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.525 0.799 -3.836 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.400 3.018 -3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.005 3.532 -2.669 1.00 0.00 H new ATOM 865 N ARG A 54 -8.145 2.878 -3.785 1.00 0.00 N ATOM 866 CA ARG A 54 -9.596 2.956 -3.636 1.00 0.00 C ATOM 867 C ARG A 54 -10.382 2.169 -4.715 1.00 0.00 C ATOM 868 O ARG A 54 -11.529 1.808 -4.462 1.00 0.00 O ATOM 869 CB ARG A 54 -10.015 4.428 -3.597 1.00 0.00 C ATOM 870 CG ARG A 54 -9.467 5.133 -2.337 1.00 0.00 C ATOM 871 CD ARG A 54 -10.085 6.521 -2.155 1.00 0.00 C ATOM 872 NE ARG A 54 -9.590 7.467 -3.169 1.00 0.00 N ATOM 873 CZ ARG A 54 -9.677 8.808 -3.100 1.00 0.00 C ATOM 874 NH1 ARG A 54 -10.279 9.417 -2.067 1.00 0.00 N ATOM 875 NH2 ARG A 54 -9.152 9.553 -4.083 1.00 0.00 N ATOM 0 H ARG A 54 -7.688 3.781 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.854 2.469 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.649 4.936 -4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.103 4.500 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.676 4.523 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.383 5.223 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.171 6.449 -2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.851 6.897 -1.159 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.142 7.071 -3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.683 8.862 -1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.333 10.435 -2.036 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.692 9.103 -4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.213 10.570 -4.040 1.00 0.00 H new ATOM 889 N ARG A 55 -9.802 1.871 -5.893 1.00 0.00 N ATOM 890 CA ARG A 55 -10.439 1.133 -6.986 1.00 0.00 C ATOM 891 C ARG A 55 -11.006 -0.236 -6.596 1.00 0.00 C ATOM 892 O ARG A 55 -12.020 -0.662 -7.149 1.00 0.00 O ATOM 893 CB ARG A 55 -9.366 0.876 -8.054 1.00 0.00 C ATOM 894 CG ARG A 55 -9.262 2.022 -9.065 1.00 0.00 C ATOM 895 CD ARG A 55 -10.139 1.797 -10.304 1.00 0.00 C ATOM 896 NE ARG A 55 -10.047 2.927 -11.242 1.00 0.00 N ATOM 897 CZ ARG A 55 -8.990 3.237 -12.016 1.00 0.00 C ATOM 898 NH1 ARG A 55 -7.875 2.489 -12.021 1.00 0.00 N ATOM 899 NH2 ARG A 55 -9.051 4.322 -12.802 1.00 0.00 N ATOM 0 H ARG A 55 -8.845 2.149 -6.111 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.277 1.744 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.400 0.735 -7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.596 -0.050 -8.581 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.554 2.955 -8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.223 2.135 -9.375 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.832 0.880 -10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.176 1.661 -9.997 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.863 3.534 -11.313 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.813 1.661 -11.428 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.090 2.748 -12.618 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.891 4.901 -12.808 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.257 4.569 -13.393 1.00 0.00 H new ATOM 913 N THR A 56 -10.314 -0.928 -5.685 1.00 0.00 N ATOM 914 CA THR A 56 -10.650 -2.270 -5.225 1.00 0.00 C ATOM 915 C THR A 56 -10.690 -2.387 -3.703 1.00 0.00 C ATOM 916 O THR A 56 -11.301 -3.339 -3.230 1.00 0.00 O ATOM 917 CB THR A 56 -9.650 -3.290 -5.828 1.00 0.00 C ATOM 918 OG1 THR A 56 -10.125 -4.605 -5.608 1.00 0.00 O ATOM 919 CG2 THR A 56 -8.225 -3.205 -5.247 1.00 0.00 C ATOM 0 H THR A 56 -9.478 -0.553 -5.236 1.00 0.00 H new ATOM 0 HA THR A 56 -11.659 -2.491 -5.572 1.00 0.00 H new ATOM 0 HB THR A 56 -9.586 -3.042 -6.887 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.582 -4.647 -4.742 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.592 -3.953 -5.725 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.815 -2.212 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.258 -3.390 -4.173 1.00 0.00 H new ATOM 927 N CYS A 57 -10.066 -1.475 -2.938 1.00 0.00 N ATOM 928 CA CYS A 57 -10.016 -1.511 -1.494 1.00 0.00 C ATOM 929 C CYS A 57 -11.103 -0.715 -0.780 1.00 0.00 C ATOM 930 O CYS A 57 -11.321 -0.954 0.407 1.00 0.00 O ATOM 931 CB CYS A 57 -8.636 -0.990 -1.088 1.00 0.00 C ATOM 932 SG CYS A 57 -7.223 -1.923 -1.734 1.00 0.00 S ATOM 0 H CYS A 57 -9.573 -0.675 -3.334 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.195 -2.541 -1.186 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.547 0.045 -1.419 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.576 -0.983 0.000 1.00 0.00 H new ATOM 937 N ILE A 58 -11.813 0.176 -1.480 1.00 0.00 N ATOM 938 CA ILE A 58 -12.852 0.985 -0.809 1.00 0.00 C ATOM 939 C ILE A 58 -14.154 0.203 -0.599 1.00 0.00 C ATOM 940 O ILE A 58 -14.672 0.138 0.515 1.00 0.00 O ATOM 941 CB ILE A 58 -13.110 2.327 -1.531 1.00 0.00 C ATOM 942 CG1 ILE A 58 -12.053 3.347 -1.061 1.00 0.00 C ATOM 943 CG2 ILE A 58 -14.510 2.919 -1.274 1.00 0.00 C ATOM 944 CD1 ILE A 58 -12.255 3.988 0.309 1.00 0.00 C ATOM 0 H ILE A 58 -11.699 0.357 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.458 1.223 0.179 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.046 2.125 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -11.083 2.850 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.002 4.145 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.612 3.860 -1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -15.270 2.218 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.639 3.099 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -11.439 4.682 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.202 4.527 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.268 3.213 1.075 1.00 0.00 H new ATOM 956 N ARG A 59 -14.646 -0.360 -1.701 1.00 0.00 N ATOM 957 CA ARG A 59 -15.870 -1.139 -1.913 1.00 0.00 C ATOM 958 C ARG A 59 -16.935 -0.899 -0.823 1.00 0.00 C ATOM 959 O ARG A 59 -17.395 0.233 -0.670 1.00 0.00 O ATOM 960 CB ARG A 59 -15.498 -2.617 -2.119 1.00 0.00 C ATOM 961 CG ARG A 59 -14.403 -2.812 -3.177 1.00 0.00 C ATOM 962 CD ARG A 59 -14.748 -2.239 -4.563 1.00 0.00 C ATOM 963 NE ARG A 59 -14.315 -0.841 -4.713 1.00 0.00 N ATOM 964 CZ ARG A 59 -14.709 0.011 -5.675 1.00 0.00 C ATOM 965 NH1 ARG A 59 -15.588 -0.359 -6.620 1.00 0.00 N ATOM 966 NH2 ARG A 59 -14.206 1.253 -5.695 1.00 0.00 N ATOM 0 H ARG A 59 -14.132 -0.270 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.360 -0.791 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.161 -3.038 -1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.387 -3.173 -2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.485 -2.344 -2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.199 -3.878 -3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.275 -2.848 -5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.824 -2.303 -4.722 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.654 -0.485 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.972 -1.304 -6.618 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.872 0.305 -7.340 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.532 1.542 -4.986 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.497 1.909 -6.420 1.00 0.00 H new ATOM 980 N LYS A 60 -17.330 -1.947 -0.085 1.00 0.00 N ATOM 981 CA LYS A 60 -18.317 -1.912 0.990 1.00 0.00 C ATOM 982 C LYS A 60 -17.589 -2.210 2.308 1.00 0.00 C ATOM 983 O LYS A 60 -17.497 -3.405 2.668 1.00 0.00 O ATOM 984 CB LYS A 60 -19.444 -2.926 0.704 1.00 0.00 C ATOM 985 CG LYS A 60 -20.294 -2.526 -0.513 1.00 0.00 C ATOM 986 CD LYS A 60 -21.299 -3.606 -0.952 1.00 0.00 C ATOM 987 CE LYS A 60 -22.364 -3.955 0.102 1.00 0.00 C ATOM 988 NZ LYS A 60 -21.903 -4.970 1.067 1.00 0.00 N ATOM 989 OXT LYS A 60 -17.116 -1.233 2.930 1.00 0.00 O ATOM 0 H LYS A 60 -16.949 -2.882 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 60 -18.787 -0.931 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -19.009 -3.911 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.086 -3.009 1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.838 -1.611 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -19.631 -2.299 -1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -21.801 -3.270 -1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -20.750 -4.512 -1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -22.646 -3.050 0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -23.260 -4.319 -0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -22.673 -5.642 1.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -21.088 -5.481 0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -21.622 -4.504 1.953 1.00 0.00 H new