USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 366 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 43 ASN : amide:sc= 0.0552! C(o=0.83!,f=-10!) USER MOD Set 1.2: A 46 SER OG : rot 87:sc= 0.777 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 150:sc= -0.895! USER MOD Single : A 13 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.081) USER MOD Single : A 15 TYR OH : rot -130:sc= -3.57! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 30 ASN : amide:sc= -2.18 X(o=-2.2,f=-2.1!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= -0.192 (180deg=-0.277) USER MOD Single : A 41 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.17) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 157:sc= -0.0737 (180deg=-0.834) USER MOD Single : A 53 GLN : amide:sc= -0.691 K(o=-0.69,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N SER A 7 13.892 2.203 4.109 1.00 0.00 N ATOM 83 CA SER A 7 14.891 1.823 3.069 1.00 0.00 C ATOM 84 C SER A 7 14.344 0.685 2.205 1.00 0.00 C ATOM 85 O SER A 7 14.020 -0.379 2.695 1.00 0.00 O ATOM 86 CB SER A 7 16.120 1.359 3.852 1.00 0.00 C ATOM 87 OG SER A 7 17.207 2.232 3.586 1.00 0.00 O ATOM 0 HA SER A 7 15.124 2.649 2.397 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.901 1.348 4.920 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.381 0.339 3.569 1.00 0.00 H new ATOM 0 HG SER A 7 17.995 1.936 4.089 1.00 0.00 H new ATOM 93 N TYR A 8 14.237 0.900 0.923 1.00 0.00 N ATOM 94 CA TYR A 8 13.710 -0.169 0.028 1.00 0.00 C ATOM 95 C TYR A 8 14.311 -1.524 0.411 1.00 0.00 C ATOM 96 O TYR A 8 13.609 -2.503 0.566 1.00 0.00 O ATOM 97 CB TYR A 8 14.151 0.239 -1.378 1.00 0.00 C ATOM 98 CG TYR A 8 13.401 1.483 -1.791 1.00 0.00 C ATOM 99 CD1 TYR A 8 12.014 1.553 -1.612 1.00 0.00 C ATOM 100 CD2 TYR A 8 14.091 2.565 -2.348 1.00 0.00 C ATOM 101 CE1 TYR A 8 11.317 2.705 -1.992 1.00 0.00 C ATOM 102 CE2 TYR A 8 13.393 3.718 -2.727 1.00 0.00 C ATOM 103 CZ TYR A 8 12.006 3.788 -2.549 1.00 0.00 C ATOM 104 OH TYR A 8 11.319 4.926 -2.922 1.00 0.00 O ATOM 0 H TYR A 8 14.492 1.770 0.456 1.00 0.00 H new ATOM 0 HA TYR A 8 12.627 -0.273 0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 8 15.225 0.424 -1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.955 -0.569 -2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.482 0.718 -1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 8 15.161 2.511 -2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.247 2.758 -1.855 1.00 0.00 H new ATOM 0 HE2 TYR A 8 13.925 4.554 -3.157 1.00 0.00 H new ATOM 0 HH TYR A 8 11.905 5.706 -2.830 1.00 0.00 H new ATOM 114 N ALA A 9 15.605 -1.587 0.568 1.00 0.00 N ATOM 115 CA ALA A 9 16.243 -2.879 0.945 1.00 0.00 C ATOM 116 C ALA A 9 15.483 -3.520 2.109 1.00 0.00 C ATOM 117 O ALA A 9 15.504 -4.719 2.291 1.00 0.00 O ATOM 118 CB ALA A 9 17.666 -2.512 1.368 1.00 0.00 C ATOM 0 H ALA A 9 16.246 -0.802 0.452 1.00 0.00 H new ATOM 0 HA ALA A 9 16.237 -3.598 0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.203 -3.414 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.183 -2.038 0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.628 -1.822 2.211 1.00 0.00 H new ATOM 124 N GLU A 10 14.809 -2.725 2.897 1.00 0.00 N ATOM 125 CA GLU A 10 14.042 -3.287 4.047 1.00 0.00 C ATOM 126 C GLU A 10 12.621 -3.642 3.601 1.00 0.00 C ATOM 127 O GLU A 10 12.038 -4.607 4.054 1.00 0.00 O ATOM 128 CB GLU A 10 14.013 -2.167 5.089 1.00 0.00 C ATOM 129 CG GLU A 10 15.445 -1.751 5.432 1.00 0.00 C ATOM 130 CD GLU A 10 15.473 -1.122 6.825 1.00 0.00 C ATOM 131 OE1 GLU A 10 14.441 -0.630 7.252 1.00 0.00 O ATOM 132 OE2 GLU A 10 16.525 -1.141 7.442 1.00 0.00 O ATOM 0 H GLU A 10 14.756 -1.712 2.794 1.00 0.00 H new ATOM 0 HA GLU A 10 14.492 -4.198 4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.457 -1.312 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.496 -2.505 5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.105 -2.618 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.816 -1.041 4.693 1.00 0.00 H new ATOM 139 N LEU A 11 12.067 -2.870 2.707 1.00 0.00 N ATOM 140 CA LEU A 11 10.689 -3.158 2.216 1.00 0.00 C ATOM 141 C LEU A 11 10.698 -4.446 1.395 1.00 0.00 C ATOM 142 O LEU A 11 10.140 -5.451 1.786 1.00 0.00 O ATOM 143 CB LEU A 11 10.326 -1.961 1.335 1.00 0.00 C ATOM 144 CG LEU A 11 8.845 -1.622 1.517 1.00 0.00 C ATOM 145 CD1 LEU A 11 8.705 -0.457 2.498 1.00 0.00 C ATOM 146 CD2 LEU A 11 8.246 -1.224 0.166 1.00 0.00 C ATOM 0 H LEU A 11 12.510 -2.050 2.294 1.00 0.00 H new ATOM 0 HA LEU A 11 9.973 -3.295 3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.942 -1.101 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.531 -2.190 0.289 1.00 0.00 H new ATOM 0 HG LEU A 11 8.318 -2.492 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.650 -0.215 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.134 -0.738 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.231 0.414 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.191 -0.982 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.774 -0.353 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.346 -2.053 -0.535 1.00 0.00 H new ATOM 158 N CYS A 12 11.346 -4.422 0.266 1.00 0.00 N ATOM 159 CA CYS A 12 11.415 -5.645 -0.580 1.00 0.00 C ATOM 160 C CYS A 12 12.202 -6.733 0.154 1.00 0.00 C ATOM 161 O CYS A 12 12.233 -7.877 -0.252 1.00 0.00 O ATOM 162 CB CYS A 12 12.146 -5.206 -1.847 1.00 0.00 C ATOM 163 SG CYS A 12 10.946 -4.524 -3.017 1.00 0.00 S ATOM 0 H CYS A 12 11.832 -3.607 -0.109 1.00 0.00 H new ATOM 0 HA CYS A 12 10.432 -6.058 -0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.902 -4.459 -1.605 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.667 -6.053 -2.293 1.00 0.00 H new ATOM 168 N ASN A 13 12.835 -6.378 1.240 1.00 0.00 N ATOM 169 CA ASN A 13 13.618 -7.376 2.018 1.00 0.00 C ATOM 170 C ASN A 13 12.851 -8.697 2.104 1.00 0.00 C ATOM 171 O ASN A 13 13.399 -9.760 1.892 1.00 0.00 O ATOM 172 CB ASN A 13 13.766 -6.749 3.403 1.00 0.00 C ATOM 173 CG ASN A 13 14.937 -7.403 4.140 1.00 0.00 C ATOM 174 OD1 ASN A 13 16.080 -7.221 3.771 1.00 0.00 O ATOM 175 ND2 ASN A 13 14.699 -8.160 5.174 1.00 0.00 N ATOM 0 H ASN A 13 12.842 -5.432 1.622 1.00 0.00 H new ATOM 0 HA ASN A 13 14.582 -7.602 1.562 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.934 -5.676 3.311 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.846 -6.880 3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.472 -8.599 5.673 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.739 -8.313 5.484 1.00 0.00 H new ATOM 182 N GLU A 14 11.588 -8.640 2.413 1.00 0.00 N ATOM 183 CA GLU A 14 10.793 -9.897 2.506 1.00 0.00 C ATOM 184 C GLU A 14 10.987 -10.729 1.236 1.00 0.00 C ATOM 185 O GLU A 14 10.896 -11.940 1.255 1.00 0.00 O ATOM 186 CB GLU A 14 9.339 -9.444 2.637 1.00 0.00 C ATOM 187 CG GLU A 14 8.439 -10.668 2.818 1.00 0.00 C ATOM 188 CD GLU A 14 6.978 -10.222 2.885 1.00 0.00 C ATOM 189 OE1 GLU A 14 6.733 -9.037 2.735 1.00 0.00 O ATOM 190 OE2 GLU A 14 6.128 -11.074 3.086 1.00 0.00 O ATOM 0 H GLU A 14 11.072 -7.782 2.605 1.00 0.00 H new ATOM 0 HA GLU A 14 11.097 -10.519 3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.232 -8.771 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.039 -8.886 1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.581 -11.362 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.710 -11.200 3.730 1.00 0.00 H new ATOM 197 N TYR A 15 11.262 -10.087 0.132 1.00 0.00 N ATOM 198 CA TYR A 15 11.469 -10.840 -1.135 1.00 0.00 C ATOM 199 C TYR A 15 12.902 -11.380 -1.190 1.00 0.00 C ATOM 200 O TYR A 15 13.263 -12.119 -2.084 1.00 0.00 O ATOM 201 CB TYR A 15 11.222 -9.820 -2.245 1.00 0.00 C ATOM 202 CG TYR A 15 9.786 -9.360 -2.175 1.00 0.00 C ATOM 203 CD1 TYR A 15 9.429 -8.313 -1.317 1.00 0.00 C ATOM 204 CD2 TYR A 15 8.809 -9.988 -2.957 1.00 0.00 C ATOM 205 CE1 TYR A 15 8.096 -7.891 -1.243 1.00 0.00 C ATOM 206 CE2 TYR A 15 7.477 -9.566 -2.881 1.00 0.00 C ATOM 207 CZ TYR A 15 7.121 -8.518 -2.025 1.00 0.00 C ATOM 208 OH TYR A 15 5.805 -8.105 -1.950 1.00 0.00 O ATOM 0 H TYR A 15 11.352 -9.074 0.055 1.00 0.00 H new ATOM 0 HA TYR A 15 10.805 -11.699 -1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.896 -8.971 -2.133 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.428 -10.265 -3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 15 10.182 -7.831 -0.712 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.083 -10.797 -3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 15 7.821 -7.082 -0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.723 -10.050 -3.484 1.00 0.00 H new ATOM 0 HH TYR A 15 5.225 -8.883 -1.816 1.00 0.00 H new ATOM 218 N ARG A 16 13.715 -11.028 -0.231 1.00 0.00 N ATOM 219 CA ARG A 16 15.116 -11.536 -0.222 1.00 0.00 C ATOM 220 C ARG A 16 15.100 -13.064 -0.205 1.00 0.00 C ATOM 221 O ARG A 16 16.045 -13.714 -0.607 1.00 0.00 O ATOM 222 CB ARG A 16 15.736 -10.991 1.066 1.00 0.00 C ATOM 223 CG ARG A 16 15.782 -9.463 1.005 1.00 0.00 C ATOM 224 CD ARG A 16 16.984 -9.018 0.173 1.00 0.00 C ATOM 225 NE ARG A 16 16.838 -7.539 0.059 1.00 0.00 N ATOM 226 CZ ARG A 16 17.897 -6.776 0.067 1.00 0.00 C ATOM 227 NH1 ARG A 16 19.033 -7.233 -0.384 1.00 0.00 N ATOM 228 NH2 ARG A 16 17.818 -5.558 0.526 1.00 0.00 N ATOM 0 H ARG A 16 13.470 -10.412 0.544 1.00 0.00 H new ATOM 0 HA ARG A 16 15.681 -11.222 -1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.152 -11.313 1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 16 16.742 -11.391 1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 16 14.861 -9.079 0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.851 -9.051 2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.923 -9.287 0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 16 16.984 -9.493 -0.808 1.00 0.00 H new ATOM 0 HE ARG A 16 15.910 -7.123 -0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 16 19.093 -8.186 -0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 16 19.861 -6.637 -0.378 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.929 -5.202 0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 16 18.645 -4.961 0.533 1.00 0.00 H new ATOM 242 N LYS A 17 14.020 -13.642 0.248 1.00 0.00 N ATOM 243 CA LYS A 17 13.922 -15.128 0.282 1.00 0.00 C ATOM 244 C LYS A 17 13.442 -15.636 -1.080 1.00 0.00 C ATOM 245 O LYS A 17 13.182 -16.809 -1.264 1.00 0.00 O ATOM 246 CB LYS A 17 12.885 -15.441 1.366 1.00 0.00 C ATOM 247 CG LYS A 17 13.085 -14.509 2.566 1.00 0.00 C ATOM 248 CD LYS A 17 12.377 -15.093 3.790 1.00 0.00 C ATOM 249 CE LYS A 17 10.897 -14.708 3.755 1.00 0.00 C ATOM 250 NZ LYS A 17 10.164 -15.975 4.034 1.00 0.00 N ATOM 0 H LYS A 17 13.199 -13.147 0.597 1.00 0.00 H new ATOM 0 HA LYS A 17 14.879 -15.606 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.879 -15.320 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.979 -16.480 1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.148 -14.387 2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.688 -13.519 2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.481 -16.178 3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.839 -14.719 4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.669 -13.947 4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.619 -14.296 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.140 -15.793 4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.396 -16.678 3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.444 -16.340 4.967 1.00 0.00 H new ATOM 264 N LEU A 18 13.321 -14.752 -2.034 1.00 0.00 N ATOM 265 CA LEU A 18 12.854 -15.162 -3.387 1.00 0.00 C ATOM 266 C LEU A 18 13.972 -14.948 -4.410 1.00 0.00 C ATOM 267 O LEU A 18 14.059 -15.637 -5.407 1.00 0.00 O ATOM 268 CB LEU A 18 11.672 -14.237 -3.689 1.00 0.00 C ATOM 269 CG LEU A 18 10.518 -14.533 -2.725 1.00 0.00 C ATOM 270 CD1 LEU A 18 10.871 -14.029 -1.324 1.00 0.00 C ATOM 271 CD2 LEU A 18 9.254 -13.822 -3.212 1.00 0.00 C ATOM 0 H LEU A 18 13.527 -13.758 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 18 12.573 -16.214 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.980 -13.196 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.343 -14.378 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 18 10.346 -15.609 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.047 -14.242 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.772 -14.532 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.046 -12.954 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.432 -14.031 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.432 -12.747 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.996 -14.180 -4.209 1.00 0.00 H new ATOM 283 N VAL A 19 14.830 -13.992 -4.167 1.00 0.00 N ATOM 284 CA VAL A 19 15.944 -13.726 -5.120 1.00 0.00 C ATOM 285 C VAL A 19 17.092 -14.709 -4.883 1.00 0.00 C ATOM 286 O VAL A 19 17.823 -14.604 -3.918 1.00 0.00 O ATOM 287 CB VAL A 19 16.393 -12.297 -4.811 1.00 0.00 C ATOM 288 CG1 VAL A 19 17.302 -11.791 -5.932 1.00 0.00 C ATOM 289 CG2 VAL A 19 15.166 -11.389 -4.700 1.00 0.00 C ATOM 0 H VAL A 19 14.806 -13.384 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 19 15.635 -13.844 -6.159 1.00 0.00 H new ATOM 0 HB VAL A 19 16.940 -12.286 -3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.621 -10.773 -5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 19 18.177 -12.436 -6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.757 -11.803 -6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.486 -10.371 -4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.618 -11.401 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.519 -11.747 -3.899 1.00 0.00 H new ATOM 299 N ARG A 20 17.259 -15.664 -5.758 1.00 0.00 N ATOM 300 CA ARG A 20 18.363 -16.650 -5.580 1.00 0.00 C ATOM 301 C ARG A 20 19.678 -16.072 -6.110 1.00 0.00 C ATOM 302 O ARG A 20 20.419 -15.431 -5.393 1.00 0.00 O ATOM 303 CB ARG A 20 17.941 -17.869 -6.398 1.00 0.00 C ATOM 304 CG ARG A 20 16.687 -18.495 -5.779 1.00 0.00 C ATOM 305 CD ARG A 20 16.827 -18.555 -4.256 1.00 0.00 C ATOM 306 NE ARG A 20 15.618 -19.289 -3.788 1.00 0.00 N ATOM 307 CZ ARG A 20 15.507 -19.631 -2.535 1.00 0.00 C ATOM 308 NH1 ARG A 20 16.564 -20.001 -1.863 1.00 0.00 N ATOM 309 NH2 ARG A 20 14.340 -19.603 -1.951 1.00 0.00 N ATOM 0 H ARG A 20 16.680 -15.804 -6.586 1.00 0.00 H new ATOM 0 HA ARG A 20 18.528 -16.902 -4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.742 -17.577 -7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 20 18.749 -18.600 -6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 20 15.808 -17.910 -6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 20 16.537 -19.498 -6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 20 17.741 -19.072 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 20 16.874 -17.555 -3.824 1.00 0.00 H new ATOM 0 HE ARG A 20 14.877 -19.524 -4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.476 -20.022 -2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.477 -20.269 -0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.514 -19.313 -2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.254 -19.871 -0.971 1.00 0.00 H new ATOM 323 N ASN A 21 19.969 -16.289 -7.364 1.00 0.00 N ATOM 324 CA ASN A 21 21.233 -15.746 -7.940 1.00 0.00 C ATOM 325 C ASN A 21 20.911 -14.736 -9.043 1.00 0.00 C ATOM 326 O ASN A 21 21.352 -14.867 -10.168 1.00 0.00 O ATOM 327 CB ASN A 21 21.958 -16.961 -8.519 1.00 0.00 C ATOM 328 CG ASN A 21 22.035 -18.062 -7.460 1.00 0.00 C ATOM 329 OD1 ASN A 21 22.632 -17.878 -6.417 1.00 0.00 O ATOM 330 ND2 ASN A 21 21.451 -19.207 -7.683 1.00 0.00 N ATOM 0 H ASN A 21 19.387 -16.818 -8.014 1.00 0.00 H new ATOM 0 HA ASN A 21 21.840 -15.227 -7.198 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.431 -17.326 -9.401 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.961 -16.680 -8.840 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.495 -19.947 -6.983 1.00 0.00 H new ATOM 0 HD22 ASN A 21 20.950 -19.362 -8.558 1.00 0.00 H new ATOM 337 N GLY A 22 20.141 -13.730 -8.729 1.00 0.00 N ATOM 338 CA GLY A 22 19.786 -12.715 -9.759 1.00 0.00 C ATOM 339 C GLY A 22 18.410 -13.045 -10.340 1.00 0.00 C ATOM 340 O GLY A 22 18.058 -12.604 -11.417 1.00 0.00 O ATOM 0 H GLY A 22 19.743 -13.568 -7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.777 -11.719 -9.317 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.535 -12.706 -10.551 1.00 0.00 H new ATOM 344 N LYS A 23 17.630 -13.820 -9.637 1.00 0.00 N ATOM 345 CA LYS A 23 16.277 -14.178 -10.151 1.00 0.00 C ATOM 346 C LYS A 23 15.231 -14.041 -9.040 1.00 0.00 C ATOM 347 O LYS A 23 15.294 -14.708 -8.026 1.00 0.00 O ATOM 348 CB LYS A 23 16.398 -15.636 -10.603 1.00 0.00 C ATOM 349 CG LYS A 23 16.446 -16.554 -9.378 1.00 0.00 C ATOM 350 CD LYS A 23 16.939 -17.941 -9.798 1.00 0.00 C ATOM 351 CE LYS A 23 16.453 -18.982 -8.787 1.00 0.00 C ATOM 352 NZ LYS A 23 15.554 -19.879 -9.566 1.00 0.00 N ATOM 0 H LYS A 23 17.870 -14.220 -8.730 1.00 0.00 H new ATOM 0 HA LYS A 23 15.958 -13.525 -10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.551 -15.902 -11.236 1.00 0.00 H new ATOM 0 HB3 LYS A 23 17.298 -15.767 -11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.109 -16.134 -8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.456 -16.629 -8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.568 -18.184 -10.794 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.028 -17.951 -9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.288 -19.535 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.922 -18.512 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.179 -20.622 -8.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.766 -19.325 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.089 -20.317 -10.343 1.00 0.00 H new ATOM 366 N LEU A 24 14.268 -13.180 -9.224 1.00 0.00 N ATOM 367 CA LEU A 24 13.218 -13.001 -8.181 1.00 0.00 C ATOM 368 C LEU A 24 12.012 -13.890 -8.496 1.00 0.00 C ATOM 369 O LEU A 24 11.478 -13.863 -9.586 1.00 0.00 O ATOM 370 CB LEU A 24 12.832 -11.524 -8.256 1.00 0.00 C ATOM 371 CG LEU A 24 12.632 -10.973 -6.842 1.00 0.00 C ATOM 372 CD1 LEU A 24 11.961 -9.600 -6.915 1.00 0.00 C ATOM 373 CD2 LEU A 24 11.739 -11.921 -6.048 1.00 0.00 C ATOM 0 H LEU A 24 14.163 -12.593 -10.051 1.00 0.00 H new ATOM 0 HA LEU A 24 13.568 -13.278 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.610 -10.960 -8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.917 -11.406 -8.836 1.00 0.00 H new ATOM 0 HG LEU A 24 13.602 -10.882 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.820 -9.210 -5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.592 -8.917 -7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.993 -9.694 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.596 -11.529 -5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.772 -12.010 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.210 -12.903 -5.992 1.00 0.00 H new ATOM 385 N ALA A 25 11.583 -14.683 -7.553 1.00 0.00 N ATOM 386 CA ALA A 25 10.414 -15.575 -7.806 1.00 0.00 C ATOM 387 C ALA A 25 9.187 -15.080 -7.035 1.00 0.00 C ATOM 388 O ALA A 25 9.252 -14.807 -5.854 1.00 0.00 O ATOM 389 CB ALA A 25 10.849 -16.950 -7.296 1.00 0.00 C ATOM 0 H ALA A 25 11.990 -14.753 -6.620 1.00 0.00 H new ATOM 0 HA ALA A 25 10.135 -15.598 -8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.041 -17.666 -7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.732 -17.279 -7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.084 -16.886 -6.234 1.00 0.00 H new ATOM 395 N CYS A 26 8.068 -14.968 -7.697 1.00 0.00 N ATOM 396 CA CYS A 26 6.834 -14.494 -7.006 1.00 0.00 C ATOM 397 C CYS A 26 5.596 -15.119 -7.653 1.00 0.00 C ATOM 398 O CYS A 26 5.696 -15.999 -8.486 1.00 0.00 O ATOM 399 CB CYS A 26 6.831 -12.977 -7.191 1.00 0.00 C ATOM 400 SG CYS A 26 6.923 -12.173 -5.572 1.00 0.00 S ATOM 0 H CYS A 26 7.954 -15.184 -8.687 1.00 0.00 H new ATOM 0 HA CYS A 26 6.817 -14.773 -5.952 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.676 -12.673 -7.809 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.926 -12.665 -7.713 1.00 0.00 H new ATOM 405 N THR A 27 4.428 -14.672 -7.280 1.00 0.00 N ATOM 406 CA THR A 27 3.186 -15.244 -7.876 1.00 0.00 C ATOM 407 C THR A 27 2.473 -14.191 -8.730 1.00 0.00 C ATOM 408 O THR A 27 2.852 -13.037 -8.755 1.00 0.00 O ATOM 409 CB THR A 27 2.319 -15.645 -6.682 1.00 0.00 C ATOM 410 OG1 THR A 27 2.383 -14.628 -5.691 1.00 0.00 O ATOM 411 CG2 THR A 27 2.830 -16.962 -6.098 1.00 0.00 C ATOM 0 H THR A 27 4.279 -13.936 -6.589 1.00 0.00 H new ATOM 0 HA THR A 27 3.395 -16.091 -8.529 1.00 0.00 H new ATOM 0 HB THR A 27 1.287 -15.772 -7.008 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.827 -14.882 -4.925 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.211 -17.247 -5.247 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.781 -17.741 -6.859 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.862 -16.839 -5.771 1.00 0.00 H new ATOM 419 N ARG A 28 1.441 -14.581 -9.427 1.00 0.00 N ATOM 420 CA ARG A 28 0.703 -13.604 -10.279 1.00 0.00 C ATOM 421 C ARG A 28 -0.250 -12.768 -9.420 1.00 0.00 C ATOM 422 O ARG A 28 -1.427 -12.665 -9.704 1.00 0.00 O ATOM 423 CB ARG A 28 -0.082 -14.460 -11.274 1.00 0.00 C ATOM 424 CG ARG A 28 0.891 -15.301 -12.102 1.00 0.00 C ATOM 425 CD ARG A 28 0.125 -16.017 -13.217 1.00 0.00 C ATOM 426 NE ARG A 28 -0.917 -16.816 -12.511 1.00 0.00 N ATOM 427 CZ ARG A 28 -1.897 -17.352 -13.186 1.00 0.00 C ATOM 428 NH1 ARG A 28 -1.780 -18.565 -13.653 1.00 0.00 N ATOM 429 NH2 ARG A 28 -2.993 -16.676 -13.394 1.00 0.00 N ATOM 0 H ARG A 28 1.077 -15.534 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 28 1.372 -12.906 -10.782 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.778 -15.108 -10.742 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.677 -13.823 -11.929 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.666 -14.665 -12.529 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.392 -16.029 -11.465 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.324 -15.305 -13.909 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.785 -16.657 -13.802 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.864 -16.944 -11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.923 -19.094 -13.490 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.546 -18.984 -14.181 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.084 -15.728 -13.029 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.759 -17.095 -13.922 1.00 0.00 H new ATOM 443 N GLU A 29 0.248 -12.171 -8.372 1.00 0.00 N ATOM 444 CA GLU A 29 -0.632 -11.343 -7.498 1.00 0.00 C ATOM 445 C GLU A 29 -1.193 -10.155 -8.285 1.00 0.00 C ATOM 446 O GLU A 29 -0.523 -9.580 -9.120 1.00 0.00 O ATOM 447 CB GLU A 29 0.276 -10.855 -6.370 1.00 0.00 C ATOM 448 CG GLU A 29 -0.524 -9.962 -5.421 1.00 0.00 C ATOM 449 CD GLU A 29 0.427 -9.283 -4.435 1.00 0.00 C ATOM 450 OE1 GLU A 29 1.627 -9.439 -4.596 1.00 0.00 O ATOM 451 OE2 GLU A 29 -0.058 -8.619 -3.533 1.00 0.00 O ATOM 0 H GLU A 29 1.225 -12.220 -8.083 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.485 -11.906 -7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.687 -11.705 -5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.120 -10.302 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.073 -9.211 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.261 -10.556 -4.881 1.00 0.00 H new ATOM 458 N ASN A 30 -2.417 -9.786 -8.027 1.00 0.00 N ATOM 459 CA ASN A 30 -3.019 -8.636 -8.761 1.00 0.00 C ATOM 460 C ASN A 30 -2.970 -7.372 -7.899 1.00 0.00 C ATOM 461 O ASN A 30 -3.984 -6.776 -7.596 1.00 0.00 O ATOM 462 CB ASN A 30 -4.467 -9.049 -9.025 1.00 0.00 C ATOM 463 CG ASN A 30 -5.128 -9.459 -7.708 1.00 0.00 C ATOM 464 OD1 ASN A 30 -5.130 -8.705 -6.755 1.00 0.00 O ATOM 465 ND2 ASN A 30 -5.693 -10.631 -7.615 1.00 0.00 N ATOM 0 H ASN A 30 -3.027 -10.230 -7.340 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.484 -8.411 -9.684 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.015 -8.223 -9.478 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.497 -9.877 -9.733 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.137 -10.915 -6.742 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.691 -11.263 -8.415 1.00 0.00 H new ATOM 472 N ASP A 31 -1.797 -6.959 -7.502 1.00 0.00 N ATOM 473 CA ASP A 31 -1.683 -5.733 -6.661 1.00 0.00 C ATOM 474 C ASP A 31 -0.616 -4.795 -7.239 1.00 0.00 C ATOM 475 O ASP A 31 0.502 -4.767 -6.765 1.00 0.00 O ATOM 476 CB ASP A 31 -1.265 -6.237 -5.280 1.00 0.00 C ATOM 477 CG ASP A 31 -2.508 -6.659 -4.494 1.00 0.00 C ATOM 478 OD1 ASP A 31 -3.262 -7.469 -5.006 1.00 0.00 O ATOM 479 OD2 ASP A 31 -2.684 -6.165 -3.392 1.00 0.00 O ATOM 0 H ASP A 31 -0.913 -7.417 -7.723 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.615 -5.169 -6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.581 -7.080 -5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.730 -5.455 -4.742 1.00 0.00 H new ATOM 484 N PRO A 32 -0.995 -4.053 -8.251 1.00 0.00 N ATOM 485 CA PRO A 32 -0.059 -3.109 -8.900 1.00 0.00 C ATOM 486 C PRO A 32 0.388 -2.028 -7.913 1.00 0.00 C ATOM 487 O PRO A 32 -0.327 -1.671 -6.998 1.00 0.00 O ATOM 488 CB PRO A 32 -0.907 -2.507 -10.023 1.00 0.00 C ATOM 489 CG PRO A 32 -2.312 -3.137 -9.973 1.00 0.00 C ATOM 490 CD PRO A 32 -2.371 -4.121 -8.799 1.00 0.00 C ATOM 0 HA PRO A 32 0.856 -3.581 -9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.974 -1.425 -9.908 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.442 -2.696 -10.991 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.069 -2.362 -9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.528 -3.653 -10.909 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.117 -3.827 -8.060 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.628 -5.128 -9.127 1.00 0.00 H new ATOM 498 N ILE A 33 1.566 -1.504 -8.098 1.00 0.00 N ATOM 499 CA ILE A 33 2.070 -0.441 -7.180 1.00 0.00 C ATOM 500 C ILE A 33 3.050 0.473 -7.922 1.00 0.00 C ATOM 501 O ILE A 33 3.135 0.458 -9.134 1.00 0.00 O ATOM 502 CB ILE A 33 2.776 -1.179 -6.032 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.179 -1.611 -6.467 1.00 0.00 C ATOM 504 CG2 ILE A 33 1.965 -2.415 -5.635 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.091 -2.407 -7.768 1.00 0.00 C ATOM 0 H ILE A 33 2.206 -1.766 -8.848 1.00 0.00 H new ATOM 0 HA ILE A 33 1.264 0.190 -6.807 1.00 0.00 H new ATOM 0 HB ILE A 33 2.857 -0.505 -5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.813 -0.735 -6.607 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.641 -2.218 -5.688 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.470 -2.935 -4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.971 -2.109 -5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.876 -3.083 -6.492 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.091 -2.713 -8.075 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.472 -3.291 -7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.647 -1.785 -8.545 1.00 0.00 H new ATOM 517 N GLN A 34 3.790 1.266 -7.200 1.00 0.00 N ATOM 518 CA GLN A 34 4.767 2.183 -7.856 1.00 0.00 C ATOM 519 C GLN A 34 6.146 2.042 -7.205 1.00 0.00 C ATOM 520 O GLN A 34 6.267 1.948 -6.000 1.00 0.00 O ATOM 521 CB GLN A 34 4.207 3.587 -7.627 1.00 0.00 C ATOM 522 CG GLN A 34 5.109 4.614 -8.315 1.00 0.00 C ATOM 523 CD GLN A 34 4.667 6.026 -7.923 1.00 0.00 C ATOM 524 OE1 GLN A 34 4.892 6.459 -6.811 1.00 0.00 O ATOM 525 NE2 GLN A 34 4.044 6.768 -8.798 1.00 0.00 N ATOM 0 H GLN A 34 3.762 1.320 -6.182 1.00 0.00 H new ATOM 0 HA GLN A 34 4.893 1.962 -8.916 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.193 3.655 -8.022 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.148 3.797 -6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.148 4.453 -8.026 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.057 4.492 -9.397 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.855 6.405 -9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.747 7.711 -8.547 1.00 0.00 H new ATOM 534 N GLY A 35 7.186 2.026 -7.994 1.00 0.00 N ATOM 535 CA GLY A 35 8.555 1.890 -7.421 1.00 0.00 C ATOM 536 C GLY A 35 9.171 3.280 -7.226 1.00 0.00 C ATOM 537 O GLY A 35 8.583 4.274 -7.603 1.00 0.00 O ATOM 0 H GLY A 35 7.146 2.101 -9.010 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.510 1.364 -6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.181 1.294 -8.085 1.00 0.00 H new ATOM 541 N PRO A 36 10.343 3.307 -6.637 1.00 0.00 N ATOM 542 CA PRO A 36 11.045 4.588 -6.387 1.00 0.00 C ATOM 543 C PRO A 36 11.357 5.303 -7.705 1.00 0.00 C ATOM 544 O PRO A 36 11.588 6.495 -7.735 1.00 0.00 O ATOM 545 CB PRO A 36 12.332 4.139 -5.691 1.00 0.00 C ATOM 546 CG PRO A 36 12.318 2.602 -5.566 1.00 0.00 C ATOM 547 CD PRO A 36 11.024 2.067 -6.193 1.00 0.00 C ATOM 0 HA PRO A 36 10.460 5.295 -5.799 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.203 4.464 -6.261 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.408 4.597 -4.705 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.186 2.175 -6.068 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.379 2.308 -4.518 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.225 1.394 -7.027 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.424 1.511 -5.473 1.00 0.00 H new ATOM 555 N ASP A 37 11.371 4.585 -8.793 1.00 0.00 N ATOM 556 CA ASP A 37 11.674 5.228 -10.104 1.00 0.00 C ATOM 557 C ASP A 37 10.476 6.045 -10.583 1.00 0.00 C ATOM 558 O ASP A 37 10.616 6.989 -11.334 1.00 0.00 O ATOM 559 CB ASP A 37 11.957 4.070 -11.060 1.00 0.00 C ATOM 560 CG ASP A 37 13.208 3.321 -10.598 1.00 0.00 C ATOM 561 OD1 ASP A 37 13.951 3.881 -9.808 1.00 0.00 O ATOM 562 OD2 ASP A 37 13.402 2.202 -11.041 1.00 0.00 O ATOM 0 H ASP A 37 11.186 3.583 -8.832 1.00 0.00 H new ATOM 0 HA ASP A 37 12.518 5.915 -10.041 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.104 3.392 -11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.099 4.447 -12.073 1.00 0.00 H new ATOM 567 N GLY A 38 9.300 5.694 -10.150 1.00 0.00 N ATOM 568 CA GLY A 38 8.099 6.457 -10.578 1.00 0.00 C ATOM 569 C GLY A 38 7.236 5.585 -11.493 1.00 0.00 C ATOM 570 O GLY A 38 6.075 5.863 -11.716 1.00 0.00 O ATOM 0 H GLY A 38 9.119 4.913 -9.519 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.523 6.768 -9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.400 7.365 -11.101 1.00 0.00 H new ATOM 574 N LYS A 39 7.796 4.533 -12.025 1.00 0.00 N ATOM 575 CA LYS A 39 7.008 3.646 -12.928 1.00 0.00 C ATOM 576 C LYS A 39 6.128 2.698 -12.108 1.00 0.00 C ATOM 577 O LYS A 39 6.347 2.494 -10.931 1.00 0.00 O ATOM 578 CB LYS A 39 8.051 2.854 -13.716 1.00 0.00 C ATOM 579 CG LYS A 39 9.038 3.821 -14.373 1.00 0.00 C ATOM 580 CD LYS A 39 10.207 3.029 -14.962 1.00 0.00 C ATOM 581 CE LYS A 39 11.143 3.980 -15.710 1.00 0.00 C ATOM 582 NZ LYS A 39 12.035 4.544 -14.657 1.00 0.00 N ATOM 0 H LYS A 39 8.764 4.249 -11.874 1.00 0.00 H new ATOM 0 HA LYS A 39 6.344 4.212 -13.581 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.582 2.171 -13.053 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.562 2.245 -14.476 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.539 4.391 -15.156 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.404 4.539 -13.639 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.750 2.517 -14.168 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.835 2.261 -15.640 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.716 3.452 -16.473 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.585 4.766 -16.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.772 5.128 -15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.475 5.130 -14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.481 3.768 -14.128 1.00 0.00 H new ATOM 596 N VAL A 40 5.138 2.115 -12.724 1.00 0.00 N ATOM 597 CA VAL A 40 4.246 1.178 -11.985 1.00 0.00 C ATOM 598 C VAL A 40 4.583 -0.268 -12.359 1.00 0.00 C ATOM 599 O VAL A 40 5.061 -0.544 -13.442 1.00 0.00 O ATOM 600 CB VAL A 40 2.832 1.535 -12.442 1.00 0.00 C ATOM 601 CG1 VAL A 40 1.821 0.640 -11.722 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.545 3.001 -12.107 1.00 0.00 C ATOM 0 H VAL A 40 4.908 2.247 -13.709 1.00 0.00 H new ATOM 0 HA VAL A 40 4.357 1.263 -10.904 1.00 0.00 H new ATOM 0 HB VAL A 40 2.748 1.384 -13.518 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.813 0.895 -12.048 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.026 -0.404 -11.959 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.903 0.791 -10.646 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.537 3.258 -12.432 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.629 3.151 -11.031 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.265 3.639 -12.619 1.00 0.00 H new ATOM 612 N HIS A 41 4.343 -1.194 -11.472 1.00 0.00 N ATOM 613 CA HIS A 41 4.656 -2.618 -11.783 1.00 0.00 C ATOM 614 C HIS A 41 3.440 -3.505 -11.496 1.00 0.00 C ATOM 615 O HIS A 41 2.486 -3.085 -10.874 1.00 0.00 O ATOM 616 CB HIS A 41 5.818 -2.978 -10.855 1.00 0.00 C ATOM 617 CG HIS A 41 6.865 -1.901 -10.926 1.00 0.00 C ATOM 618 ND1 HIS A 41 7.767 -1.815 -11.976 1.00 0.00 N ATOM 619 CD2 HIS A 41 7.168 -0.858 -10.085 1.00 0.00 C ATOM 620 CE1 HIS A 41 8.560 -0.754 -11.742 1.00 0.00 C ATOM 621 NE2 HIS A 41 8.238 -0.135 -10.604 1.00 0.00 N ATOM 0 H HIS A 41 3.945 -1.027 -10.548 1.00 0.00 H new ATOM 0 HA HIS A 41 4.912 -2.766 -12.832 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.460 -3.086 -9.831 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.247 -3.937 -11.146 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.654 -0.633 -9.162 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.360 -0.441 -12.396 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.681 0.691 -10.201 1.00 0.00 H new ATOM 629 N GLY A 42 3.469 -4.729 -11.949 1.00 0.00 N ATOM 630 CA GLY A 42 2.317 -5.643 -11.708 1.00 0.00 C ATOM 631 C GLY A 42 2.111 -5.826 -10.203 1.00 0.00 C ATOM 632 O GLY A 42 1.015 -5.688 -9.696 1.00 0.00 O ATOM 0 H GLY A 42 4.242 -5.136 -12.476 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.414 -5.234 -12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.501 -6.608 -12.180 1.00 0.00 H new ATOM 636 N ASN A 43 3.154 -6.137 -9.484 1.00 0.00 N ATOM 637 CA ASN A 43 3.012 -6.331 -8.012 1.00 0.00 C ATOM 638 C ASN A 43 4.239 -5.781 -7.282 1.00 0.00 C ATOM 639 O ASN A 43 5.056 -5.086 -7.852 1.00 0.00 O ATOM 640 CB ASN A 43 2.908 -7.844 -7.819 1.00 0.00 C ATOM 641 CG ASN A 43 4.079 -8.533 -8.523 1.00 0.00 C ATOM 642 OD1 ASN A 43 4.796 -7.915 -9.285 1.00 0.00 O ATOM 643 ND2 ASN A 43 4.305 -9.799 -8.300 1.00 0.00 N ATOM 0 H ASN A 43 4.097 -6.265 -9.851 1.00 0.00 H new ATOM 0 HA ASN A 43 2.144 -5.808 -7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.916 -8.087 -6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.963 -8.208 -8.222 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.082 -10.268 -8.765 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.704 -10.319 -7.661 1.00 0.00 H new ATOM 650 N THR A 44 4.369 -6.090 -6.022 1.00 0.00 N ATOM 651 CA THR A 44 5.539 -5.590 -5.245 1.00 0.00 C ATOM 652 C THR A 44 6.812 -6.315 -5.685 1.00 0.00 C ATOM 653 O THR A 44 7.904 -5.800 -5.550 1.00 0.00 O ATOM 654 CB THR A 44 5.212 -5.909 -3.784 1.00 0.00 C ATOM 655 OG1 THR A 44 4.265 -4.968 -3.298 1.00 0.00 O ATOM 656 CG2 THR A 44 6.488 -5.832 -2.943 1.00 0.00 C ATOM 0 H THR A 44 3.715 -6.668 -5.495 1.00 0.00 H new ATOM 0 HA THR A 44 5.713 -4.525 -5.397 1.00 0.00 H new ATOM 0 HB THR A 44 4.796 -6.914 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.052 -5.171 -2.363 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.253 -6.059 -1.903 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.214 -6.554 -3.317 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.907 -4.828 -3.009 1.00 0.00 H new ATOM 664 N CYS A 45 6.686 -7.499 -6.218 1.00 0.00 N ATOM 665 CA CYS A 45 7.907 -8.228 -6.667 1.00 0.00 C ATOM 666 C CYS A 45 8.530 -7.477 -7.840 1.00 0.00 C ATOM 667 O CYS A 45 9.681 -7.093 -7.799 1.00 0.00 O ATOM 668 CB CYS A 45 7.450 -9.620 -7.105 1.00 0.00 C ATOM 669 SG CYS A 45 6.265 -10.294 -5.915 1.00 0.00 S ATOM 0 H CYS A 45 5.803 -7.989 -6.361 1.00 0.00 H new ATOM 0 HA CYS A 45 8.652 -8.302 -5.875 1.00 0.00 H new ATOM 0 HB2 CYS A 45 6.993 -9.566 -8.093 1.00 0.00 H new ATOM 0 HB3 CYS A 45 8.311 -10.284 -7.188 1.00 0.00 H new ATOM 674 N SER A 46 7.774 -7.245 -8.881 1.00 0.00 N ATOM 675 CA SER A 46 8.331 -6.493 -10.038 1.00 0.00 C ATOM 676 C SER A 46 9.083 -5.277 -9.506 1.00 0.00 C ATOM 677 O SER A 46 10.158 -4.943 -9.962 1.00 0.00 O ATOM 678 CB SER A 46 7.118 -6.065 -10.864 1.00 0.00 C ATOM 679 OG SER A 46 6.521 -7.209 -11.456 1.00 0.00 O ATOM 0 H SER A 46 6.803 -7.542 -8.978 1.00 0.00 H new ATOM 0 HA SER A 46 9.024 -7.080 -10.640 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.395 -5.552 -10.230 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.422 -5.359 -11.637 1.00 0.00 H new ATOM 0 HG SER A 46 5.876 -7.602 -10.831 1.00 0.00 H new ATOM 685 N MET A 47 8.533 -4.634 -8.511 1.00 0.00 N ATOM 686 CA MET A 47 9.221 -3.461 -7.909 1.00 0.00 C ATOM 687 C MET A 47 10.460 -3.959 -7.170 1.00 0.00 C ATOM 688 O MET A 47 11.492 -3.319 -7.144 1.00 0.00 O ATOM 689 CB MET A 47 8.208 -2.877 -6.926 1.00 0.00 C ATOM 690 CG MET A 47 8.503 -1.392 -6.707 1.00 0.00 C ATOM 691 SD MET A 47 7.149 -0.639 -5.772 1.00 0.00 S ATOM 692 CE MET A 47 7.430 -1.519 -4.216 1.00 0.00 C ATOM 0 H MET A 47 7.635 -4.873 -8.090 1.00 0.00 H new ATOM 0 HA MET A 47 9.539 -2.719 -8.641 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.197 -3.004 -7.312 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.257 -3.412 -5.977 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.442 -1.273 -6.167 1.00 0.00 H new ATOM 0 HG3 MET A 47 8.621 -0.888 -7.666 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.001 -0.948 -3.393 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.957 -2.500 -4.262 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.501 -1.640 -4.055 1.00 0.00 H new ATOM 702 N CYS A 48 10.351 -5.115 -6.579 1.00 0.00 N ATOM 703 CA CYS A 48 11.503 -5.704 -5.843 1.00 0.00 C ATOM 704 C CYS A 48 12.527 -6.250 -6.841 1.00 0.00 C ATOM 705 O CYS A 48 13.709 -6.307 -6.561 1.00 0.00 O ATOM 706 CB CYS A 48 10.890 -6.832 -5.005 1.00 0.00 C ATOM 707 SG CYS A 48 9.899 -6.133 -3.657 1.00 0.00 S ATOM 0 H CYS A 48 9.504 -5.683 -6.575 1.00 0.00 H new ATOM 0 HA CYS A 48 12.028 -4.980 -5.220 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.267 -7.467 -5.635 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.679 -7.464 -4.598 1.00 0.00 H new ATOM 712 N GLU A 49 12.089 -6.635 -8.009 1.00 0.00 N ATOM 713 CA GLU A 49 13.047 -7.155 -9.025 1.00 0.00 C ATOM 714 C GLU A 49 13.938 -6.009 -9.505 1.00 0.00 C ATOM 715 O GLU A 49 15.150 -6.092 -9.465 1.00 0.00 O ATOM 716 CB GLU A 49 12.179 -7.675 -10.173 1.00 0.00 C ATOM 717 CG GLU A 49 11.349 -8.868 -9.698 1.00 0.00 C ATOM 718 CD GLU A 49 10.633 -9.499 -10.894 1.00 0.00 C ATOM 719 OE1 GLU A 49 10.642 -8.890 -11.952 1.00 0.00 O ATOM 720 OE2 GLU A 49 10.089 -10.578 -10.732 1.00 0.00 O ATOM 0 H GLU A 49 11.112 -6.612 -8.303 1.00 0.00 H new ATOM 0 HA GLU A 49 13.694 -7.938 -8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.521 -6.883 -10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.809 -7.970 -11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.993 -9.604 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.621 -8.545 -8.954 1.00 0.00 H new ATOM 727 N VAL A 50 13.345 -4.932 -9.945 1.00 0.00 N ATOM 728 CA VAL A 50 14.163 -3.775 -10.408 1.00 0.00 C ATOM 729 C VAL A 50 15.098 -3.348 -9.284 1.00 0.00 C ATOM 730 O VAL A 50 16.259 -3.057 -9.497 1.00 0.00 O ATOM 731 CB VAL A 50 13.163 -2.661 -10.723 1.00 0.00 C ATOM 732 CG1 VAL A 50 12.272 -2.401 -9.506 1.00 0.00 C ATOM 733 CG2 VAL A 50 13.929 -1.381 -11.066 1.00 0.00 C ATOM 0 H VAL A 50 12.335 -4.804 -10.004 1.00 0.00 H new ATOM 0 HA VAL A 50 14.772 -4.015 -11.280 1.00 0.00 H new ATOM 0 HB VAL A 50 12.542 -2.963 -11.566 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.562 -1.607 -9.738 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.728 -3.311 -9.252 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.890 -2.100 -8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 50 13.222 -0.583 -11.292 1.00 0.00 H new ATOM 0 HG22 VAL A 50 14.547 -1.089 -10.217 1.00 0.00 H new ATOM 0 HG23 VAL A 50 14.564 -1.559 -11.934 1.00 0.00 H new ATOM 743 N PHE A 51 14.601 -3.329 -8.078 1.00 0.00 N ATOM 744 CA PHE A 51 15.459 -2.943 -6.927 1.00 0.00 C ATOM 745 C PHE A 51 16.515 -4.025 -6.715 1.00 0.00 C ATOM 746 O PHE A 51 17.673 -3.748 -6.471 1.00 0.00 O ATOM 747 CB PHE A 51 14.511 -2.868 -5.732 1.00 0.00 C ATOM 748 CG PHE A 51 15.317 -2.828 -4.459 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.265 -1.818 -4.265 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.116 -3.802 -3.473 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.015 -1.781 -3.084 1.00 0.00 C ATOM 752 CE2 PHE A 51 15.866 -3.764 -2.291 1.00 0.00 C ATOM 753 CZ PHE A 51 16.815 -2.753 -2.096 1.00 0.00 C ATOM 0 H PHE A 51 13.637 -3.565 -7.842 1.00 0.00 H new ATOM 0 HA PHE A 51 15.980 -1.997 -7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 51 13.883 -1.980 -5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.844 -3.730 -5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.418 -1.067 -5.026 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.384 -4.581 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 51 17.748 -1.002 -2.935 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.712 -4.515 -1.530 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.393 -2.723 -1.184 1.00 0.00 H new ATOM 763 N PHE A 52 16.117 -5.260 -6.827 1.00 0.00 N ATOM 764 CA PHE A 52 17.081 -6.380 -6.659 1.00 0.00 C ATOM 765 C PHE A 52 18.066 -6.375 -7.827 1.00 0.00 C ATOM 766 O PHE A 52 19.234 -6.675 -7.676 1.00 0.00 O ATOM 767 CB PHE A 52 16.220 -7.645 -6.685 1.00 0.00 C ATOM 768 CG PHE A 52 15.740 -7.965 -5.290 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.616 -7.859 -4.202 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.416 -8.369 -5.084 1.00 0.00 C ATOM 771 CE1 PHE A 52 16.165 -8.156 -2.910 1.00 0.00 C ATOM 772 CE2 PHE A 52 13.966 -8.665 -3.794 1.00 0.00 C ATOM 773 CZ PHE A 52 14.840 -8.559 -2.706 1.00 0.00 C ATOM 0 H PHE A 52 15.158 -5.543 -7.029 1.00 0.00 H new ATOM 0 HA PHE A 52 17.663 -6.308 -5.740 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.368 -7.502 -7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.797 -8.481 -7.082 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.638 -7.548 -4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.741 -8.452 -5.923 1.00 0.00 H new ATOM 0 HE1 PHE A 52 16.840 -8.074 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.944 -8.976 -3.637 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.492 -8.788 -1.709 1.00 0.00 H new ATOM 783 N GLN A 53 17.596 -6.023 -8.991 1.00 0.00 N ATOM 784 CA GLN A 53 18.489 -5.979 -10.181 1.00 0.00 C ATOM 785 C GLN A 53 19.465 -4.811 -10.047 1.00 0.00 C ATOM 786 O GLN A 53 20.631 -4.918 -10.373 1.00 0.00 O ATOM 787 CB GLN A 53 17.546 -5.756 -11.362 1.00 0.00 C ATOM 788 CG GLN A 53 18.173 -6.324 -12.636 1.00 0.00 C ATOM 789 CD GLN A 53 17.501 -5.694 -13.859 1.00 0.00 C ATOM 790 OE1 GLN A 53 18.061 -5.685 -14.937 1.00 0.00 O ATOM 791 NE2 GLN A 53 16.315 -5.161 -13.737 1.00 0.00 N ATOM 0 H GLN A 53 16.626 -5.763 -9.170 1.00 0.00 H new ATOM 0 HA GLN A 53 19.084 -6.885 -10.298 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.587 -6.238 -11.171 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.348 -4.691 -11.486 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.244 -6.119 -12.650 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.055 -7.407 -12.661 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.843 -5.168 -12.833 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.860 -4.738 -14.546 1.00 0.00 H new ATOM 800 N ALA A 54 18.993 -3.694 -9.565 1.00 0.00 N ATOM 801 CA ALA A 54 19.886 -2.512 -9.402 1.00 0.00 C ATOM 802 C ALA A 54 20.941 -2.792 -8.327 1.00 0.00 C ATOM 803 O ALA A 54 22.056 -2.317 -8.402 1.00 0.00 O ATOM 804 CB ALA A 54 18.962 -1.375 -8.964 1.00 0.00 C ATOM 0 H ALA A 54 18.025 -3.549 -9.276 1.00 0.00 H new ATOM 0 HA ALA A 54 20.423 -2.270 -10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.546 -0.466 -8.822 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.206 -1.205 -9.730 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.475 -1.643 -8.027 1.00 0.00 H new ATOM 810 N GLU A 55 20.598 -3.559 -7.326 1.00 0.00 N ATOM 811 CA GLU A 55 21.588 -3.863 -6.254 1.00 0.00 C ATOM 812 C GLU A 55 22.850 -4.475 -6.865 1.00 0.00 C ATOM 813 O GLU A 55 23.948 -4.268 -6.388 1.00 0.00 O ATOM 814 CB GLU A 55 20.888 -4.869 -5.340 1.00 0.00 C ATOM 815 CG GLU A 55 19.976 -4.123 -4.365 1.00 0.00 C ATOM 816 CD GLU A 55 19.323 -5.124 -3.409 1.00 0.00 C ATOM 817 OE1 GLU A 55 19.668 -6.292 -3.482 1.00 0.00 O ATOM 818 OE2 GLU A 55 18.490 -4.707 -2.623 1.00 0.00 O ATOM 0 H GLU A 55 19.680 -3.986 -7.205 1.00 0.00 H new ATOM 0 HA GLU A 55 21.898 -2.971 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.305 -5.572 -5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.627 -5.452 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.552 -3.388 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.210 -3.575 -4.914 1.00 0.00 H new ATOM 825 N GLU A 56 22.700 -5.224 -7.920 1.00 0.00 N ATOM 826 CA GLU A 56 23.889 -5.847 -8.569 1.00 0.00 C ATOM 827 C GLU A 56 24.687 -4.784 -9.328 1.00 0.00 C ATOM 828 O GLU A 56 25.896 -4.856 -9.430 1.00 0.00 O ATOM 829 CB GLU A 56 23.314 -6.880 -9.540 1.00 0.00 C ATOM 830 CG GLU A 56 22.560 -7.953 -8.754 1.00 0.00 C ATOM 831 CD GLU A 56 22.058 -9.030 -9.717 1.00 0.00 C ATOM 832 OE1 GLU A 56 22.101 -8.795 -10.913 1.00 0.00 O ATOM 833 OE2 GLU A 56 21.636 -10.073 -9.242 1.00 0.00 O ATOM 0 H GLU A 56 21.805 -5.433 -8.363 1.00 0.00 H new ATOM 0 HA GLU A 56 24.567 -6.301 -7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 56 22.643 -6.395 -10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 56 24.116 -7.335 -10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.214 -8.397 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 56 21.721 -7.506 -8.221 1.00 0.00 H new