USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 393 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.72 K(o=-1.7,f=-3.3!) USER MOD Single : A 11 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 13 THR OG1 : rot -155:sc= 0.234 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= -2.86! (180deg=-3.04!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.129 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 53 ASN : amide:sc= -4.85! K(o=-4.8!,f=-1.4) USER MOD Single : A 56 LYS NZ :NH3+ -97:sc= -0.986 (180deg=-2.72!) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -8.312 9.906 -0.255 1.00 0.00 N ATOM 66 CA CYS A 5 -7.563 9.860 1.040 1.00 0.00 C ATOM 67 C CYS A 5 -6.882 11.205 1.304 1.00 0.00 C ATOM 68 O CYS A 5 -7.168 12.185 0.644 1.00 0.00 O ATOM 69 CB CYS A 5 -6.516 8.751 0.972 1.00 0.00 C ATOM 70 SG CYS A 5 -7.131 7.051 0.856 1.00 0.00 S ATOM 0 HA CYS A 5 -8.259 9.658 1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.877 8.940 0.110 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.886 8.824 1.858 1.00 0.00 H new ATOM 75 N THR A 6 -5.994 11.224 2.266 1.00 0.00 N ATOM 76 CA THR A 6 -5.294 12.501 2.603 1.00 0.00 C ATOM 77 C THR A 6 -3.843 12.493 2.095 1.00 0.00 C ATOM 78 O THR A 6 -3.577 12.817 0.955 1.00 0.00 O ATOM 79 CB THR A 6 -5.297 12.675 4.123 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.292 11.348 4.641 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.601 13.295 4.614 1.00 0.00 C ATOM 0 H THR A 6 -5.725 10.417 2.829 1.00 0.00 H new ATOM 0 HA THR A 6 -5.818 13.326 2.119 1.00 0.00 H new ATOM 0 HB THR A 6 -4.460 13.304 4.426 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.292 11.379 5.621 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.567 13.403 5.698 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.733 14.275 4.155 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.436 12.650 4.340 1.00 0.00 H new ATOM 89 N LYS A 7 -2.938 12.117 2.960 1.00 0.00 N ATOM 90 CA LYS A 7 -1.494 12.104 2.568 1.00 0.00 C ATOM 91 C LYS A 7 -1.272 11.222 1.309 1.00 0.00 C ATOM 92 O LYS A 7 -2.069 10.354 1.019 1.00 0.00 O ATOM 93 CB LYS A 7 -0.684 11.539 3.737 1.00 0.00 C ATOM 94 CG LYS A 7 -0.131 12.696 4.572 1.00 0.00 C ATOM 95 CD LYS A 7 0.298 12.167 5.941 1.00 0.00 C ATOM 96 CE LYS A 7 1.035 13.274 6.696 1.00 0.00 C ATOM 97 NZ LYS A 7 0.840 13.120 8.166 1.00 0.00 N ATOM 0 H LYS A 7 -3.133 11.820 3.916 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.174 13.119 2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.313 10.897 4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.133 10.921 3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.717 13.154 4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.889 13.471 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.574 11.841 6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.945 11.298 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.098 13.239 6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.668 14.249 6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.347 13.879 8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.174 13.176 8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.212 12.198 8.471 1.00 0.00 H new ATOM 111 N PRO A 8 -0.177 11.469 0.584 1.00 0.00 N ATOM 112 CA PRO A 8 0.143 10.682 -0.621 1.00 0.00 C ATOM 113 C PRO A 8 0.268 9.192 -0.278 1.00 0.00 C ATOM 114 O PRO A 8 0.021 8.793 0.840 1.00 0.00 O ATOM 115 CB PRO A 8 1.485 11.229 -1.120 1.00 0.00 C ATOM 116 CG PRO A 8 1.935 12.340 -0.126 1.00 0.00 C ATOM 117 CD PRO A 8 0.804 12.529 0.897 1.00 0.00 C ATOM 0 HA PRO A 8 -0.638 10.767 -1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.229 10.434 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.384 11.633 -2.127 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.861 12.055 0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.132 13.272 -0.656 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.175 12.434 1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.356 13.519 0.811 1.00 0.00 H new ATOM 125 N ASN A 9 0.658 8.406 -1.251 1.00 0.00 N ATOM 126 CA ASN A 9 0.797 6.937 -1.000 1.00 0.00 C ATOM 127 C ASN A 9 -0.524 6.377 -0.467 1.00 0.00 C ATOM 128 O ASN A 9 -1.311 5.831 -1.214 1.00 0.00 O ATOM 129 CB ASN A 9 1.923 6.695 0.014 1.00 0.00 C ATOM 130 CG ASN A 9 3.205 7.388 -0.467 1.00 0.00 C ATOM 131 OD1 ASN A 9 4.021 6.807 -1.163 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.425 8.625 -0.115 1.00 0.00 N ATOM 0 H ASN A 9 0.884 8.712 -2.197 1.00 0.00 H new ATOM 0 HA ASN A 9 1.043 6.429 -1.933 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.634 7.080 0.992 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.097 5.625 0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.274 9.099 -0.422 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.748 9.118 0.467 1.00 0.00 H new ATOM 139 N GLU A 10 -0.749 6.519 0.810 1.00 0.00 N ATOM 140 CA GLU A 10 -2.028 6.014 1.376 1.00 0.00 C ATOM 141 C GLU A 10 -3.185 6.497 0.499 1.00 0.00 C ATOM 142 O GLU A 10 -3.564 7.651 0.554 1.00 0.00 O ATOM 143 CB GLU A 10 -2.198 6.551 2.796 1.00 0.00 C ATOM 144 CG GLU A 10 -1.083 5.988 3.680 1.00 0.00 C ATOM 145 CD GLU A 10 -1.686 5.031 4.709 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.578 5.479 5.409 1.00 0.00 O ATOM 147 OE2 GLU A 10 -1.222 3.902 4.737 1.00 0.00 O ATOM 0 H GLU A 10 -0.112 6.956 1.476 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.020 4.924 1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.162 7.640 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.173 6.265 3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.347 5.466 3.068 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.559 6.800 4.185 1.00 0.00 H new ATOM 154 N GLN A 11 -3.716 5.603 -0.294 1.00 0.00 N ATOM 155 CA GLN A 11 -4.837 5.984 -1.203 1.00 0.00 C ATOM 156 C GLN A 11 -5.992 5.005 -1.038 1.00 0.00 C ATOM 157 O GLN A 11 -5.854 3.980 -0.404 1.00 0.00 O ATOM 158 CB GLN A 11 -4.340 5.949 -2.647 1.00 0.00 C ATOM 159 CG GLN A 11 -5.011 7.074 -3.433 1.00 0.00 C ATOM 160 CD GLN A 11 -4.916 6.774 -4.930 1.00 0.00 C ATOM 161 OE1 GLN A 11 -5.842 7.002 -5.682 1.00 0.00 O ATOM 162 NE2 GLN A 11 -3.811 6.260 -5.403 1.00 0.00 N ATOM 0 H GLN A 11 -3.423 4.628 -0.351 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.183 6.987 -0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.257 6.065 -2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.569 4.985 -3.100 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.055 7.168 -3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.529 8.026 -3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.030 6.066 -4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.730 6.053 -6.398 1.00 0.00 H new ATOM 171 N TRP A 12 -7.107 5.333 -1.615 1.00 0.00 N ATOM 172 CA TRP A 12 -8.277 4.429 -1.485 1.00 0.00 C ATOM 173 C TRP A 12 -8.015 3.098 -2.171 1.00 0.00 C ATOM 174 O TRP A 12 -7.462 3.051 -3.252 1.00 0.00 O ATOM 175 CB TRP A 12 -9.489 5.064 -2.140 1.00 0.00 C ATOM 176 CG TRP A 12 -10.619 4.029 -2.172 1.00 0.00 C ATOM 177 CD1 TRP A 12 -10.924 3.270 -3.225 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.436 3.788 -1.173 1.00 0.00 C ATOM 179 NE1 TRP A 12 -11.985 2.559 -2.802 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.372 2.833 -1.515 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.443 4.333 0.094 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.318 2.435 -0.602 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.386 3.931 1.013 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.328 2.982 0.664 1.00 0.00 C ATOM 0 H TRP A 12 -7.260 6.178 -2.166 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.454 4.263 -0.422 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.800 5.949 -1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.246 5.392 -3.151 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.436 3.234 -4.188 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.461 1.874 -3.389 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.708 5.076 0.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.054 1.694 -0.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.390 4.357 2.006 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.071 2.669 1.382 1.00 0.00 H new ATOM 195 N THR A 13 -8.420 2.043 -1.524 1.00 0.00 N ATOM 196 CA THR A 13 -8.248 0.704 -2.137 1.00 0.00 C ATOM 197 C THR A 13 -9.490 -0.144 -1.856 1.00 0.00 C ATOM 198 O THR A 13 -10.002 -0.152 -0.756 1.00 0.00 O ATOM 199 CB THR A 13 -7.002 0.017 -1.558 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.158 -1.356 -1.897 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.984 0.055 -0.032 1.00 0.00 C ATOM 0 H THR A 13 -8.859 2.052 -0.604 1.00 0.00 H new ATOM 0 HA THR A 13 -8.119 0.813 -3.214 1.00 0.00 H new ATOM 0 HB THR A 13 -6.104 0.504 -1.938 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.658 -1.909 -1.261 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.086 -0.442 0.334 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.989 1.091 0.306 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.865 -0.457 0.355 1.00 0.00 H new ATOM 209 N LYS A 14 -9.966 -0.826 -2.857 1.00 0.00 N ATOM 210 CA LYS A 14 -11.175 -1.663 -2.636 1.00 0.00 C ATOM 211 C LYS A 14 -10.770 -3.027 -2.068 1.00 0.00 C ATOM 212 O LYS A 14 -11.607 -3.802 -1.649 1.00 0.00 O ATOM 213 CB LYS A 14 -11.919 -1.839 -3.960 1.00 0.00 C ATOM 214 CG LYS A 14 -13.196 -0.988 -3.929 1.00 0.00 C ATOM 215 CD LYS A 14 -13.773 -0.893 -5.339 1.00 0.00 C ATOM 216 CE LYS A 14 -15.281 -0.645 -5.249 1.00 0.00 C ATOM 217 NZ LYS A 14 -15.852 -0.412 -6.606 1.00 0.00 N ATOM 0 H LYS A 14 -9.580 -0.842 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.832 -1.171 -1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.284 -1.536 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.169 -2.889 -4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.927 -1.433 -3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.974 0.008 -3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.291 -0.084 -5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.576 -1.813 -5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.770 -1.501 -4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.477 0.218 -4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.876 -0.245 -6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.398 0.419 -7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.682 -1.247 -7.202 1.00 0.00 H new ATOM 231 N CYS A 15 -9.489 -3.290 -2.070 1.00 0.00 N ATOM 232 CA CYS A 15 -9.000 -4.585 -1.516 1.00 0.00 C ATOM 233 C CYS A 15 -7.686 -4.368 -0.754 1.00 0.00 C ATOM 234 O CYS A 15 -6.636 -4.230 -1.352 1.00 0.00 O ATOM 235 CB CYS A 15 -8.756 -5.567 -2.658 1.00 0.00 C ATOM 236 SG CYS A 15 -7.328 -6.680 -2.502 1.00 0.00 S ATOM 0 H CYS A 15 -8.765 -2.668 -2.429 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.752 -4.985 -0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.650 -6.179 -2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.639 -4.994 -3.578 1.00 0.00 H new ATOM 241 N GLY A 16 -7.768 -4.343 0.548 1.00 0.00 N ATOM 242 CA GLY A 16 -6.531 -4.135 1.354 1.00 0.00 C ATOM 243 C GLY A 16 -5.939 -5.480 1.780 1.00 0.00 C ATOM 244 O GLY A 16 -6.032 -6.456 1.063 1.00 0.00 O ATOM 0 H GLY A 16 -8.628 -4.456 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.799 -3.577 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.760 -3.536 2.235 1.00 0.00 H new ATOM 248 N GLY A 17 -5.341 -5.500 2.944 1.00 0.00 N ATOM 249 CA GLY A 17 -4.737 -6.771 3.442 1.00 0.00 C ATOM 250 C GLY A 17 -3.221 -6.755 3.246 1.00 0.00 C ATOM 251 O GLY A 17 -2.520 -5.975 3.857 1.00 0.00 O ATOM 0 H GLY A 17 -5.246 -4.698 3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.972 -6.903 4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.170 -7.619 2.911 1.00 0.00 H new ATOM 255 N CYS A 18 -2.745 -7.621 2.394 1.00 0.00 N ATOM 256 CA CYS A 18 -1.276 -7.671 2.144 1.00 0.00 C ATOM 257 C CYS A 18 -0.886 -6.636 1.083 1.00 0.00 C ATOM 258 O CYS A 18 -1.736 -6.070 0.425 1.00 0.00 O ATOM 259 CB CYS A 18 -0.901 -9.070 1.657 1.00 0.00 C ATOM 260 SG CYS A 18 -1.912 -10.451 2.244 1.00 0.00 S ATOM 0 H CYS A 18 -3.303 -8.291 1.864 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.744 -7.444 3.068 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.933 -9.068 0.567 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.132 -9.262 1.945 1.00 0.00 H new ATOM 265 N GLU A 19 0.392 -6.411 0.941 1.00 0.00 N ATOM 266 CA GLU A 19 0.850 -5.415 -0.072 1.00 0.00 C ATOM 267 C GLU A 19 2.170 -5.867 -0.704 1.00 0.00 C ATOM 268 O GLU A 19 2.394 -7.046 -0.899 1.00 0.00 O ATOM 269 CB GLU A 19 1.050 -4.064 0.609 1.00 0.00 C ATOM 270 CG GLU A 19 0.858 -2.951 -0.422 1.00 0.00 C ATOM 271 CD GLU A 19 -0.630 -2.608 -0.526 1.00 0.00 C ATOM 272 OE1 GLU A 19 -1.214 -2.405 0.526 1.00 0.00 O ATOM 273 OE2 GLU A 19 -1.097 -2.568 -1.652 1.00 0.00 O ATOM 0 H GLU A 19 1.132 -6.867 1.475 1.00 0.00 H new ATOM 0 HA GLU A 19 0.096 -5.330 -0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.339 -3.946 1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.048 -4.006 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.427 -2.068 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.238 -3.269 -1.393 1.00 0.00 H new ATOM 280 N GLY A 20 3.014 -4.911 -1.008 1.00 0.00 N ATOM 281 CA GLY A 20 4.330 -5.246 -1.632 1.00 0.00 C ATOM 282 C GLY A 20 5.474 -4.638 -0.821 1.00 0.00 C ATOM 283 O GLY A 20 5.253 -3.995 0.187 1.00 0.00 O ATOM 0 H GLY A 20 2.848 -3.917 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.449 -6.328 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.361 -4.870 -2.655 1.00 0.00 H new ATOM 287 N THR A 21 6.676 -4.851 -1.281 1.00 0.00 N ATOM 288 CA THR A 21 7.849 -4.293 -0.547 1.00 0.00 C ATOM 289 C THR A 21 8.935 -3.874 -1.536 1.00 0.00 C ATOM 290 O THR A 21 8.749 -3.945 -2.734 1.00 0.00 O ATOM 291 CB THR A 21 8.406 -5.360 0.401 1.00 0.00 C ATOM 292 OG1 THR A 21 8.693 -6.475 -0.437 1.00 0.00 O ATOM 293 CG2 THR A 21 7.342 -5.854 1.378 1.00 0.00 C ATOM 0 H THR A 21 6.897 -5.381 -2.124 1.00 0.00 H new ATOM 0 HA THR A 21 7.533 -3.420 0.024 1.00 0.00 H new ATOM 0 HB THR A 21 9.251 -4.957 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.059 -7.205 0.104 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.773 -6.610 2.034 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.981 -5.017 1.976 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.511 -6.288 0.822 1.00 0.00 H new ATOM 301 N CYS A 22 10.050 -3.450 -1.014 1.00 0.00 N ATOM 302 CA CYS A 22 11.153 -3.016 -1.909 1.00 0.00 C ATOM 303 C CYS A 22 11.817 -4.236 -2.546 1.00 0.00 C ATOM 304 O CYS A 22 12.877 -4.137 -3.132 1.00 0.00 O ATOM 305 CB CYS A 22 12.183 -2.238 -1.094 1.00 0.00 C ATOM 306 SG CYS A 22 13.271 -1.116 -1.992 1.00 0.00 S ATOM 0 H CYS A 22 10.244 -3.386 -0.015 1.00 0.00 H new ATOM 0 HA CYS A 22 10.751 -2.379 -2.697 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.649 -1.659 -0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.805 -2.957 -0.562 1.00 0.00 H new ATOM 311 N ALA A 23 11.174 -5.364 -2.412 1.00 0.00 N ATOM 312 CA ALA A 23 11.749 -6.612 -2.998 1.00 0.00 C ATOM 313 C ALA A 23 10.643 -7.501 -3.592 1.00 0.00 C ATOM 314 O ALA A 23 10.925 -8.449 -4.298 1.00 0.00 O ATOM 315 CB ALA A 23 12.478 -7.375 -1.896 1.00 0.00 C ATOM 0 H ALA A 23 10.284 -5.477 -1.927 1.00 0.00 H new ATOM 0 HA ALA A 23 12.438 -6.345 -3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.904 -8.290 -2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.276 -6.754 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.775 -7.627 -1.102 1.00 0.00 H new ATOM 321 N GLN A 24 9.408 -7.180 -3.298 1.00 0.00 N ATOM 322 CA GLN A 24 8.288 -8.009 -3.836 1.00 0.00 C ATOM 323 C GLN A 24 7.036 -7.150 -4.039 1.00 0.00 C ATOM 324 O GLN A 24 6.211 -7.033 -3.156 1.00 0.00 O ATOM 325 CB GLN A 24 7.974 -9.131 -2.843 1.00 0.00 C ATOM 326 CG GLN A 24 8.723 -10.400 -3.253 1.00 0.00 C ATOM 327 CD GLN A 24 8.402 -11.518 -2.259 1.00 0.00 C ATOM 328 OE1 GLN A 24 8.652 -11.404 -1.077 1.00 0.00 O ATOM 329 NE2 GLN A 24 7.845 -12.613 -2.698 1.00 0.00 N ATOM 0 H GLN A 24 9.129 -6.390 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 24 8.587 -8.429 -4.797 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.267 -8.833 -1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.901 -9.321 -2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.433 -10.698 -4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.797 -10.212 -3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.632 -12.715 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.622 -13.367 -2.049 1.00 0.00 H new ATOM 338 N LYS A 25 6.923 -6.566 -5.199 1.00 0.00 N ATOM 339 CA LYS A 25 5.728 -5.715 -5.476 1.00 0.00 C ATOM 340 C LYS A 25 4.451 -6.443 -5.041 1.00 0.00 C ATOM 341 O LYS A 25 3.503 -5.822 -4.603 1.00 0.00 O ATOM 342 CB LYS A 25 5.661 -5.426 -6.977 1.00 0.00 C ATOM 343 CG LYS A 25 4.608 -4.337 -7.241 1.00 0.00 C ATOM 344 CD LYS A 25 5.275 -2.959 -7.201 1.00 0.00 C ATOM 345 CE LYS A 25 5.772 -2.594 -8.604 1.00 0.00 C ATOM 346 NZ LYS A 25 6.242 -3.809 -9.329 1.00 0.00 N ATOM 0 H LYS A 25 7.597 -6.638 -5.961 1.00 0.00 H new ATOM 0 HA LYS A 25 5.811 -4.782 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.636 -5.100 -7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.405 -6.334 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.139 -4.498 -8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.818 -4.392 -6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.566 -2.210 -6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.108 -2.966 -6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.970 -2.116 -9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.584 -1.871 -8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.622 -3.534 -10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.987 -4.277 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.445 -4.464 -9.461 1.00 0.00 H new ATOM 360 N ILE A 26 4.455 -7.748 -5.178 1.00 0.00 N ATOM 361 CA ILE A 26 3.247 -8.541 -4.782 1.00 0.00 C ATOM 362 C ILE A 26 3.653 -9.681 -3.844 1.00 0.00 C ATOM 363 O ILE A 26 4.456 -10.524 -4.195 1.00 0.00 O ATOM 364 CB ILE A 26 2.598 -9.132 -6.046 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.279 -8.004 -7.063 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.316 -9.890 -5.665 1.00 0.00 C ATOM 367 CD1 ILE A 26 0.993 -7.247 -6.677 1.00 0.00 C ATOM 0 H ILE A 26 5.235 -8.294 -5.543 1.00 0.00 H new ATOM 0 HA ILE A 26 2.541 -7.889 -4.268 1.00 0.00 H new ATOM 0 HB ILE A 26 3.295 -9.829 -6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.115 -7.306 -7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.166 -8.431 -8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.859 -10.307 -6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.562 -10.697 -4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.616 -9.204 -5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.798 -6.464 -7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.154 -7.942 -6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.117 -6.799 -5.691 1.00 0.00 H new ATOM 379 N VAL A 27 3.086 -9.681 -2.667 1.00 0.00 N ATOM 380 CA VAL A 27 3.419 -10.758 -1.688 1.00 0.00 C ATOM 381 C VAL A 27 2.307 -11.850 -1.716 1.00 0.00 C ATOM 382 O VAL A 27 1.138 -11.519 -1.700 1.00 0.00 O ATOM 383 CB VAL A 27 3.480 -10.134 -0.290 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.077 -9.683 0.116 1.00 0.00 C ATOM 385 CG2 VAL A 27 3.983 -11.171 0.713 1.00 0.00 C ATOM 0 H VAL A 27 2.412 -8.988 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 27 4.375 -11.215 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 27 4.158 -9.281 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.111 -9.238 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.710 -8.947 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.407 -10.543 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.026 -10.725 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.304 -12.023 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.979 -11.505 0.422 1.00 0.00 H new ATOM 395 N PRO A 28 2.679 -13.137 -1.757 1.00 0.00 N ATOM 396 CA PRO A 28 1.672 -14.209 -1.778 1.00 0.00 C ATOM 397 C PRO A 28 0.774 -14.136 -0.537 1.00 0.00 C ATOM 398 O PRO A 28 1.205 -13.719 0.519 1.00 0.00 O ATOM 399 CB PRO A 28 2.467 -15.519 -1.781 1.00 0.00 C ATOM 400 CG PRO A 28 3.979 -15.148 -1.736 1.00 0.00 C ATOM 401 CD PRO A 28 4.079 -13.613 -1.786 1.00 0.00 C ATOM 0 HA PRO A 28 1.019 -14.126 -2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.197 -16.133 -0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.242 -16.102 -2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.442 -15.533 -0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.509 -15.595 -2.577 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.645 -13.227 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.590 -13.280 -2.689 1.00 0.00 H new ATOM 409 N CYS A 29 -0.455 -14.546 -0.694 1.00 0.00 N ATOM 410 CA CYS A 29 -1.391 -14.511 0.469 1.00 0.00 C ATOM 411 C CYS A 29 -2.629 -15.365 0.174 1.00 0.00 C ATOM 412 O CYS A 29 -3.436 -15.027 -0.669 1.00 0.00 O ATOM 413 CB CYS A 29 -1.817 -13.066 0.724 1.00 0.00 C ATOM 414 SG CYS A 29 -0.792 -12.086 1.851 1.00 0.00 S ATOM 0 H CYS A 29 -0.850 -14.900 -1.565 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.888 -14.911 1.349 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.852 -12.550 -0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.834 -13.078 1.117 1.00 0.00 H new ATOM 419 N THR A 30 -2.750 -16.456 0.881 1.00 0.00 N ATOM 420 CA THR A 30 -3.927 -17.346 0.657 1.00 0.00 C ATOM 421 C THR A 30 -5.223 -16.599 0.986 1.00 0.00 C ATOM 422 O THR A 30 -6.274 -16.911 0.461 1.00 0.00 O ATOM 423 CB THR A 30 -3.802 -18.574 1.562 1.00 0.00 C ATOM 424 OG1 THR A 30 -3.755 -18.048 2.883 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.464 -19.283 1.361 1.00 0.00 C ATOM 0 H THR A 30 -2.093 -16.768 1.596 1.00 0.00 H new ATOM 0 HA THR A 30 -3.953 -17.654 -0.388 1.00 0.00 H new ATOM 0 HB THR A 30 -4.616 -19.270 1.360 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.676 -18.784 3.525 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.409 -20.150 2.019 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.377 -19.608 0.324 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.650 -18.597 1.596 1.00 0.00 H new ATOM 433 N ARG A 31 -5.121 -15.625 1.851 1.00 0.00 N ATOM 434 CA ARG A 31 -6.340 -14.846 2.224 1.00 0.00 C ATOM 435 C ARG A 31 -6.941 -14.187 0.979 1.00 0.00 C ATOM 436 O ARG A 31 -6.683 -14.612 -0.131 1.00 0.00 O ATOM 437 CB ARG A 31 -5.956 -13.768 3.237 1.00 0.00 C ATOM 438 CG ARG A 31 -5.298 -14.430 4.454 1.00 0.00 C ATOM 439 CD ARG A 31 -4.693 -13.348 5.356 1.00 0.00 C ATOM 440 NE ARG A 31 -3.813 -14.000 6.366 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.527 -14.059 6.152 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.091 -14.699 5.102 1.00 0.00 N ATOM 443 NH2 ARG A 31 -1.720 -13.473 6.994 1.00 0.00 N ATOM 0 H ARG A 31 -4.258 -15.337 2.311 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.078 -15.518 2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.271 -13.053 2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.840 -13.210 3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.035 -15.011 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.523 -15.124 4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.121 -12.637 4.760 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.484 -12.785 5.852 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.212 -14.397 7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.752 -15.143 4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.089 -14.755 4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.098 -12.980 7.803 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.712 -13.509 6.843 1.00 0.00 H new ATOM 457 N GLU A 32 -7.730 -13.161 1.192 1.00 0.00 N ATOM 458 CA GLU A 32 -8.361 -12.453 0.038 1.00 0.00 C ATOM 459 C GLU A 32 -7.994 -10.968 0.074 1.00 0.00 C ATOM 460 O GLU A 32 -7.065 -10.541 -0.580 1.00 0.00 O ATOM 461 CB GLU A 32 -9.879 -12.605 0.128 1.00 0.00 C ATOM 462 CG GLU A 32 -10.245 -14.083 -0.024 1.00 0.00 C ATOM 463 CD GLU A 32 -11.351 -14.436 0.971 1.00 0.00 C ATOM 464 OE1 GLU A 32 -11.024 -14.507 2.144 1.00 0.00 O ATOM 465 OE2 GLU A 32 -12.464 -14.615 0.503 1.00 0.00 O ATOM 0 H GLU A 32 -7.962 -12.786 2.112 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.000 -12.886 -0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.239 -12.225 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.363 -12.016 -0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.579 -14.284 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.369 -14.706 0.153 1.00 0.00 H new ATOM 472 N CYS A 33 -8.725 -10.220 0.854 1.00 0.00 N ATOM 473 CA CYS A 33 -8.442 -8.753 0.949 1.00 0.00 C ATOM 474 C CYS A 33 -9.189 -8.142 2.141 1.00 0.00 C ATOM 475 O CYS A 33 -10.155 -8.698 2.624 1.00 0.00 O ATOM 476 CB CYS A 33 -8.925 -8.052 -0.324 1.00 0.00 C ATOM 477 SG CYS A 33 -8.108 -8.444 -1.890 1.00 0.00 S ATOM 0 H CYS A 33 -9.500 -10.554 1.427 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.368 -8.619 1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.986 -8.271 -0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.837 -6.977 -0.164 1.00 0.00 H new ATOM 482 N LYS A 34 -8.724 -7.005 2.587 1.00 0.00 N ATOM 483 CA LYS A 34 -9.411 -6.324 3.721 1.00 0.00 C ATOM 484 C LYS A 34 -10.540 -5.439 3.157 1.00 0.00 C ATOM 485 O LYS A 34 -10.507 -5.071 1.999 1.00 0.00 O ATOM 486 CB LYS A 34 -8.393 -5.448 4.450 1.00 0.00 C ATOM 487 CG LYS A 34 -7.872 -6.196 5.678 1.00 0.00 C ATOM 488 CD LYS A 34 -6.734 -5.389 6.305 1.00 0.00 C ATOM 489 CE LYS A 34 -6.016 -6.255 7.342 1.00 0.00 C ATOM 490 NZ LYS A 34 -5.700 -5.456 8.559 1.00 0.00 N ATOM 0 H LYS A 34 -7.905 -6.522 2.218 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.830 -7.057 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.567 -5.199 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.854 -4.508 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.675 -6.339 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.519 -7.187 5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.033 -5.067 5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.127 -4.488 6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.642 -7.106 7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.097 -6.658 6.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.213 -6.058 9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.085 -4.658 8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.582 -5.093 8.974 1.00 0.00 H new ATOM 504 N PRO A 35 -11.524 -5.109 3.976 1.00 0.00 N ATOM 505 CA PRO A 35 -12.629 -4.267 3.514 1.00 0.00 C ATOM 506 C PRO A 35 -12.077 -2.966 2.877 1.00 0.00 C ATOM 507 O PRO A 35 -10.952 -2.585 3.137 1.00 0.00 O ATOM 508 CB PRO A 35 -13.452 -3.956 4.771 1.00 0.00 C ATOM 509 CG PRO A 35 -12.811 -4.749 5.953 1.00 0.00 C ATOM 510 CD PRO A 35 -11.610 -5.527 5.385 1.00 0.00 C ATOM 0 HA PRO A 35 -13.234 -4.758 2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.447 -2.886 4.979 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.493 -4.249 4.631 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.490 -4.069 6.742 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.536 -5.432 6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.693 -5.289 5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.760 -6.603 5.470 1.00 0.00 H new ATOM 518 N PRO A 36 -12.883 -2.310 2.055 1.00 0.00 N ATOM 519 CA PRO A 36 -12.463 -1.064 1.394 1.00 0.00 C ATOM 520 C PRO A 36 -12.031 -0.009 2.420 1.00 0.00 C ATOM 521 O PRO A 36 -12.737 0.264 3.369 1.00 0.00 O ATOM 522 CB PRO A 36 -13.696 -0.579 0.631 1.00 0.00 C ATOM 523 CG PRO A 36 -14.832 -1.613 0.861 1.00 0.00 C ATOM 524 CD PRO A 36 -14.258 -2.743 1.735 1.00 0.00 C ATOM 0 HA PRO A 36 -11.607 -1.231 0.740 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.000 0.407 0.983 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.475 -0.484 -0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.684 -1.144 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.190 -2.008 -0.090 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.850 -2.883 2.640 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.260 -3.694 1.203 1.00 0.00 H new ATOM 532 N ARG A 37 -10.877 0.564 2.197 1.00 0.00 N ATOM 533 CA ARG A 37 -10.374 1.610 3.142 1.00 0.00 C ATOM 534 C ARG A 37 -9.077 2.222 2.601 1.00 0.00 C ATOM 535 O ARG A 37 -8.456 1.677 1.710 1.00 0.00 O ATOM 536 CB ARG A 37 -10.095 0.971 4.508 1.00 0.00 C ATOM 537 CG ARG A 37 -10.221 2.039 5.598 1.00 0.00 C ATOM 538 CD ARG A 37 -9.942 1.400 6.961 1.00 0.00 C ATOM 539 NE ARG A 37 -8.510 0.992 7.022 1.00 0.00 N ATOM 540 CZ ARG A 37 -8.021 0.543 8.146 1.00 0.00 C ATOM 541 NH1 ARG A 37 -8.726 0.671 9.235 1.00 0.00 N ATOM 542 NH2 ARG A 37 -6.842 -0.017 8.141 1.00 0.00 N ATOM 0 H ARG A 37 -10.264 0.357 1.409 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.128 2.390 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.799 0.160 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.096 0.536 4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.517 2.851 5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.220 2.474 5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.167 2.106 7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.587 0.534 7.110 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.918 1.063 6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.643 1.116 9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.360 0.326 10.123 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.319 -0.098 7.269 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.443 -0.374 9.009 1.00 0.00 H new ATOM 556 N CYS A 38 -8.707 3.354 3.134 1.00 0.00 N ATOM 557 CA CYS A 38 -7.436 3.997 2.677 1.00 0.00 C ATOM 558 C CYS A 38 -6.247 3.101 3.040 1.00 0.00 C ATOM 559 O CYS A 38 -6.174 2.581 4.136 1.00 0.00 O ATOM 560 CB CYS A 38 -7.285 5.357 3.357 1.00 0.00 C ATOM 561 SG CYS A 38 -8.131 6.762 2.588 1.00 0.00 S ATOM 0 H CYS A 38 -9.220 3.859 3.857 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.463 4.133 1.596 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.645 5.265 4.382 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.222 5.591 3.413 1.00 0.00 H new ATOM 566 N GLU A 39 -5.337 2.936 2.114 1.00 0.00 N ATOM 567 CA GLU A 39 -4.157 2.063 2.404 1.00 0.00 C ATOM 568 C GLU A 39 -3.108 2.193 1.294 1.00 0.00 C ATOM 569 O GLU A 39 -3.202 3.053 0.445 1.00 0.00 O ATOM 570 CB GLU A 39 -4.623 0.606 2.493 1.00 0.00 C ATOM 571 CG GLU A 39 -3.864 -0.105 3.619 1.00 0.00 C ATOM 572 CD GLU A 39 -3.917 -1.618 3.388 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.955 -2.181 3.701 1.00 0.00 O ATOM 574 OE2 GLU A 39 -2.915 -2.128 2.912 1.00 0.00 O ATOM 0 H GLU A 39 -5.357 3.359 1.186 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.709 2.373 3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.696 0.567 2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.448 0.098 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.829 0.234 3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.306 0.143 4.584 1.00 0.00 H new ATOM 581 N CYS A 40 -2.131 1.328 1.326 1.00 0.00 N ATOM 582 CA CYS A 40 -1.062 1.384 0.287 1.00 0.00 C ATOM 583 C CYS A 40 -1.537 0.710 -1.007 1.00 0.00 C ATOM 584 O CYS A 40 -2.546 0.031 -1.021 1.00 0.00 O ATOM 585 CB CYS A 40 0.174 0.661 0.812 1.00 0.00 C ATOM 586 SG CYS A 40 1.762 1.050 0.036 1.00 0.00 S ATOM 0 H CYS A 40 -2.026 0.589 2.022 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.826 2.426 0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.260 0.872 1.878 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.004 -0.411 0.712 1.00 0.00 H new ATOM 591 N ILE A 41 -0.795 0.915 -2.068 1.00 0.00 N ATOM 592 CA ILE A 41 -1.181 0.299 -3.379 1.00 0.00 C ATOM 593 C ILE A 41 0.056 -0.301 -4.063 1.00 0.00 C ATOM 594 O ILE A 41 0.849 0.409 -4.647 1.00 0.00 O ATOM 595 CB ILE A 41 -1.784 1.380 -4.283 1.00 0.00 C ATOM 596 CG1 ILE A 41 -2.896 2.116 -3.526 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.374 0.722 -5.532 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.324 3.391 -2.897 1.00 0.00 C ATOM 0 H ILE A 41 0.055 1.478 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.911 -0.492 -3.204 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.008 2.089 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.710 2.366 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.313 1.471 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.804 1.488 -6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.588 0.193 -6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.151 0.016 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.113 3.916 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.524 3.128 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.928 4.037 -3.680 1.00 0.00 H new ATOM 610 N ALA A 42 0.191 -1.596 -3.983 1.00 0.00 N ATOM 611 CA ALA A 42 1.372 -2.249 -4.624 1.00 0.00 C ATOM 612 C ALA A 42 1.196 -2.306 -6.148 1.00 0.00 C ATOM 613 O ALA A 42 2.145 -2.156 -6.890 1.00 0.00 O ATOM 614 CB ALA A 42 1.515 -3.668 -4.078 1.00 0.00 C ATOM 0 H ALA A 42 -0.456 -2.226 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 42 2.265 -1.667 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.375 -4.151 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.658 -3.630 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.614 -4.237 -4.304 1.00 0.00 H new ATOM 620 N SER A 43 -0.017 -2.521 -6.578 1.00 0.00 N ATOM 621 CA SER A 43 -0.271 -2.598 -8.049 1.00 0.00 C ATOM 622 C SER A 43 0.095 -1.275 -8.733 1.00 0.00 C ATOM 623 O SER A 43 0.127 -1.192 -9.945 1.00 0.00 O ATOM 624 CB SER A 43 -1.750 -2.899 -8.284 1.00 0.00 C ATOM 625 OG SER A 43 -2.163 -3.563 -7.100 1.00 0.00 O ATOM 0 H SER A 43 -0.837 -2.646 -5.984 1.00 0.00 H new ATOM 0 HA SER A 43 0.347 -3.390 -8.473 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.321 -1.985 -8.448 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.894 -3.527 -9.163 1.00 0.00 H new ATOM 0 HG SER A 43 -3.113 -3.793 -7.168 1.00 0.00 H new ATOM 631 N ALA A 44 0.363 -0.269 -7.942 1.00 0.00 N ATOM 632 CA ALA A 44 0.722 1.057 -8.533 1.00 0.00 C ATOM 633 C ALA A 44 2.240 1.265 -8.505 1.00 0.00 C ATOM 634 O ALA A 44 2.802 1.853 -9.409 1.00 0.00 O ATOM 635 CB ALA A 44 0.044 2.161 -7.727 1.00 0.00 C ATOM 0 H ALA A 44 0.350 -0.305 -6.923 1.00 0.00 H new ATOM 0 HA ALA A 44 0.385 1.087 -9.569 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.301 3.132 -8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.037 2.025 -7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.383 2.117 -6.692 1.00 0.00 H new ATOM 641 N GLY A 45 2.870 0.777 -7.466 1.00 0.00 N ATOM 642 CA GLY A 45 4.353 0.937 -7.357 1.00 0.00 C ATOM 643 C GLY A 45 4.752 1.374 -5.943 1.00 0.00 C ATOM 644 O GLY A 45 5.881 1.759 -5.709 1.00 0.00 O ATOM 0 H GLY A 45 2.427 0.279 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.844 -0.005 -7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.698 1.675 -8.081 1.00 0.00 H new ATOM 648 N PHE A 46 3.824 1.311 -5.027 1.00 0.00 N ATOM 649 CA PHE A 46 4.151 1.720 -3.628 1.00 0.00 C ATOM 650 C PHE A 46 4.633 0.508 -2.825 1.00 0.00 C ATOM 651 O PHE A 46 4.122 -0.584 -2.982 1.00 0.00 O ATOM 652 CB PHE A 46 2.904 2.306 -2.967 1.00 0.00 C ATOM 653 CG PHE A 46 2.526 3.620 -3.659 1.00 0.00 C ATOM 654 CD1 PHE A 46 3.073 4.820 -3.239 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.631 3.624 -4.715 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.726 6.002 -3.864 1.00 0.00 C ATOM 657 CE2 PHE A 46 1.288 4.808 -5.336 1.00 0.00 C ATOM 658 CZ PHE A 46 1.836 5.993 -4.912 1.00 0.00 C ATOM 0 H PHE A 46 2.865 0.999 -5.182 1.00 0.00 H new ATOM 0 HA PHE A 46 4.943 2.469 -3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.078 1.598 -3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.090 2.481 -1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.775 4.832 -2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.198 2.695 -5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.155 6.935 -3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.587 4.802 -6.157 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.568 6.918 -5.401 1.00 0.00 H new ATOM 668 N VAL A 47 5.612 0.732 -1.981 1.00 0.00 N ATOM 669 CA VAL A 47 6.154 -0.393 -1.149 1.00 0.00 C ATOM 670 C VAL A 47 6.078 -0.039 0.335 1.00 0.00 C ATOM 671 O VAL A 47 5.820 1.092 0.691 1.00 0.00 O ATOM 672 CB VAL A 47 7.609 -0.636 -1.528 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.663 -1.256 -2.921 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.359 0.696 -1.541 1.00 0.00 C ATOM 0 H VAL A 47 6.057 1.637 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 47 5.561 -1.289 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 47 8.071 -1.308 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.702 -1.433 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.121 -2.202 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.205 -0.576 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.401 0.524 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.900 1.365 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.312 1.150 -0.551 1.00 0.00 H new ATOM 684 N ARG A 48 6.309 -1.017 1.169 1.00 0.00 N ATOM 685 CA ARG A 48 6.256 -0.759 2.637 1.00 0.00 C ATOM 686 C ARG A 48 7.668 -0.548 3.193 1.00 0.00 C ATOM 687 O ARG A 48 8.545 -1.364 2.992 1.00 0.00 O ATOM 688 CB ARG A 48 5.612 -1.958 3.331 1.00 0.00 C ATOM 689 CG ARG A 48 4.106 -1.940 3.068 1.00 0.00 C ATOM 690 CD ARG A 48 3.508 -3.282 3.498 1.00 0.00 C ATOM 691 NE ARG A 48 4.002 -3.614 4.865 1.00 0.00 N ATOM 692 CZ ARG A 48 4.022 -4.861 5.254 1.00 0.00 C ATOM 693 NH1 ARG A 48 4.942 -5.653 4.777 1.00 0.00 N ATOM 694 NH2 ARG A 48 3.122 -5.271 6.104 1.00 0.00 N ATOM 0 H ARG A 48 6.530 -1.976 0.901 1.00 0.00 H new ATOM 0 HA ARG A 48 5.668 0.141 2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.047 -2.886 2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.807 -1.921 4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.637 -1.125 3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.911 -1.763 2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.419 -3.229 3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.792 -4.064 2.794 1.00 0.00 H new ATOM 0 HE ARG A 48 4.321 -2.874 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.629 -5.295 4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.975 -6.630 5.068 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.418 -4.621 6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.122 -6.241 6.419 1.00 0.00 H new ATOM 708 N ASP A 49 7.856 0.546 3.882 1.00 0.00 N ATOM 709 CA ASP A 49 9.202 0.821 4.463 1.00 0.00 C ATOM 710 C ASP A 49 9.356 0.098 5.802 1.00 0.00 C ATOM 711 O ASP A 49 8.391 -0.105 6.515 1.00 0.00 O ATOM 712 CB ASP A 49 9.363 2.321 4.679 1.00 0.00 C ATOM 713 CG ASP A 49 10.851 2.676 4.666 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.436 2.594 5.733 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.319 3.010 3.590 1.00 0.00 O ATOM 0 H ASP A 49 7.145 1.254 4.066 1.00 0.00 H new ATOM 0 HA ASP A 49 9.966 0.462 3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.839 2.871 3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.916 2.613 5.629 1.00 0.00 H new ATOM 720 N ALA A 50 10.570 -0.260 6.117 1.00 0.00 N ATOM 721 CA ALA A 50 10.821 -0.981 7.397 1.00 0.00 C ATOM 722 C ALA A 50 10.067 -0.302 8.537 1.00 0.00 C ATOM 723 O ALA A 50 9.670 -0.939 9.491 1.00 0.00 O ATOM 724 CB ALA A 50 12.319 -0.964 7.695 1.00 0.00 C ATOM 0 H ALA A 50 11.397 -0.085 5.546 1.00 0.00 H new ATOM 0 HA ALA A 50 10.473 -2.010 7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.510 -1.490 8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.857 -1.457 6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.661 0.067 7.782 1.00 0.00 H new ATOM 730 N GLN A 51 9.888 0.980 8.410 1.00 0.00 N ATOM 731 CA GLN A 51 9.158 1.721 9.477 1.00 0.00 C ATOM 732 C GLN A 51 7.651 1.545 9.289 1.00 0.00 C ATOM 733 O GLN A 51 6.866 2.351 9.748 1.00 0.00 O ATOM 734 CB GLN A 51 9.517 3.202 9.392 1.00 0.00 C ATOM 735 CG GLN A 51 10.997 3.380 9.739 1.00 0.00 C ATOM 736 CD GLN A 51 11.349 4.869 9.699 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.563 5.693 9.279 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.520 5.254 10.129 1.00 0.00 N ATOM 0 H GLN A 51 10.211 1.544 7.624 1.00 0.00 H new ATOM 0 HA GLN A 51 9.443 1.330 10.454 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.318 3.580 8.389 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.898 3.779 10.079 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.202 2.972 10.729 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.617 2.829 9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.185 4.566 10.483 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.770 6.243 10.111 1.00 0.00 H new ATOM 747 N GLY A 52 7.278 0.488 8.619 1.00 0.00 N ATOM 748 CA GLY A 52 5.831 0.245 8.384 1.00 0.00 C ATOM 749 C GLY A 52 5.198 1.468 7.724 1.00 0.00 C ATOM 750 O GLY A 52 4.070 1.816 8.012 1.00 0.00 O ATOM 0 H GLY A 52 7.909 -0.211 8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.699 -0.631 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.331 0.032 9.329 1.00 0.00 H new ATOM 754 N ASN A 53 5.947 2.095 6.848 1.00 0.00 N ATOM 755 CA ASN A 53 5.419 3.315 6.152 1.00 0.00 C ATOM 756 C ASN A 53 5.349 3.082 4.640 1.00 0.00 C ATOM 757 O ASN A 53 6.344 2.798 4.006 1.00 0.00 O ATOM 758 CB ASN A 53 6.347 4.493 6.437 1.00 0.00 C ATOM 759 CG ASN A 53 6.066 5.031 7.841 1.00 0.00 C ATOM 760 OD1 ASN A 53 5.196 5.854 8.042 1.00 0.00 O ATOM 761 ND2 ASN A 53 6.782 4.592 8.839 1.00 0.00 N ATOM 0 H ASN A 53 6.893 1.819 6.586 1.00 0.00 H new ATOM 0 HA ASN A 53 4.416 3.527 6.522 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.388 4.178 6.357 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.194 5.278 5.697 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.610 4.940 9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.514 3.901 8.676 1.00 0.00 H new ATOM 768 N CYS A 54 4.170 3.212 4.095 1.00 0.00 N ATOM 769 CA CYS A 54 4.019 3.004 2.625 1.00 0.00 C ATOM 770 C CYS A 54 4.666 4.160 1.860 1.00 0.00 C ATOM 771 O CYS A 54 4.307 5.307 2.048 1.00 0.00 O ATOM 772 CB CYS A 54 2.533 2.932 2.279 1.00 0.00 C ATOM 773 SG CYS A 54 2.088 2.982 0.525 1.00 0.00 S ATOM 0 H CYS A 54 3.314 3.450 4.596 1.00 0.00 H new ATOM 0 HA CYS A 54 4.511 2.074 2.341 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.132 2.012 2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.029 3.759 2.779 1.00 0.00 H new ATOM 778 N ILE A 55 5.608 3.837 1.012 1.00 0.00 N ATOM 779 CA ILE A 55 6.287 4.909 0.225 1.00 0.00 C ATOM 780 C ILE A 55 6.562 4.434 -1.203 1.00 0.00 C ATOM 781 O ILE A 55 6.706 3.253 -1.452 1.00 0.00 O ATOM 782 CB ILE A 55 7.612 5.277 0.905 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.483 4.017 1.054 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.325 5.860 2.290 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.858 4.412 1.597 1.00 0.00 C ATOM 0 H ILE A 55 5.934 2.887 0.831 1.00 0.00 H new ATOM 0 HA ILE A 55 5.635 5.782 0.184 1.00 0.00 H new ATOM 0 HB ILE A 55 8.139 6.013 0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.003 3.307 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.590 3.519 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.265 6.123 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.707 6.752 2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.798 5.121 2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.477 3.521 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.337 5.106 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.741 4.891 2.569 1.00 0.00 H new ATOM 797 N LYS A 56 6.627 5.366 -2.107 1.00 0.00 N ATOM 798 CA LYS A 56 6.903 4.992 -3.527 1.00 0.00 C ATOM 799 C LYS A 56 8.101 4.036 -3.597 1.00 0.00 C ATOM 800 O LYS A 56 8.852 3.909 -2.649 1.00 0.00 O ATOM 801 CB LYS A 56 7.217 6.255 -4.332 1.00 0.00 C ATOM 802 CG LYS A 56 6.353 7.413 -3.826 1.00 0.00 C ATOM 803 CD LYS A 56 5.972 8.308 -5.008 1.00 0.00 C ATOM 804 CE LYS A 56 7.245 8.768 -5.722 1.00 0.00 C ATOM 805 NZ LYS A 56 7.532 7.890 -6.891 1.00 0.00 N ATOM 0 H LYS A 56 6.503 6.363 -1.932 1.00 0.00 H new ATOM 0 HA LYS A 56 6.025 4.496 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.273 6.507 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.026 6.081 -5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.456 7.029 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.897 7.989 -3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.329 7.763 -5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.405 9.171 -4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.131 9.800 -6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.086 8.747 -5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.227 7.166 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.654 7.428 -7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.916 8.463 -7.669 1.00 0.00 H new ATOM 819 N PHE A 57 8.257 3.388 -4.720 1.00 0.00 N ATOM 820 CA PHE A 57 9.405 2.441 -4.869 1.00 0.00 C ATOM 821 C PHE A 57 10.710 3.223 -5.054 1.00 0.00 C ATOM 822 O PHE A 57 11.736 2.853 -4.526 1.00 0.00 O ATOM 823 CB PHE A 57 9.169 1.559 -6.097 1.00 0.00 C ATOM 824 CG PHE A 57 9.577 0.114 -5.788 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.860 -0.179 -5.356 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.666 -0.921 -5.939 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.224 -1.481 -5.080 1.00 0.00 C ATOM 828 CE2 PHE A 57 9.036 -2.222 -5.662 1.00 0.00 C ATOM 829 CZ PHE A 57 10.313 -2.501 -5.235 1.00 0.00 C ATOM 0 H PHE A 57 7.648 3.470 -5.534 1.00 0.00 H new ATOM 0 HA PHE A 57 9.481 1.824 -3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.118 1.596 -6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.745 1.936 -6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.580 0.617 -5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.662 -0.708 -6.275 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.226 -1.700 -4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.321 -3.022 -5.781 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.601 -3.520 -5.021 1.00 0.00 H new ATOM 839 N GLU A 58 10.639 4.292 -5.799 1.00 0.00 N ATOM 840 CA GLU A 58 11.868 5.107 -6.035 1.00 0.00 C ATOM 841 C GLU A 58 12.345 5.758 -4.731 1.00 0.00 C ATOM 842 O GLU A 58 13.411 6.337 -4.680 1.00 0.00 O ATOM 843 CB GLU A 58 11.560 6.195 -7.063 1.00 0.00 C ATOM 844 CG GLU A 58 12.863 6.624 -7.745 1.00 0.00 C ATOM 845 CD GLU A 58 12.608 7.881 -8.578 1.00 0.00 C ATOM 846 OE1 GLU A 58 12.201 8.859 -7.973 1.00 0.00 O ATOM 847 OE2 GLU A 58 12.836 7.793 -9.774 1.00 0.00 O ATOM 0 H GLU A 58 9.792 4.636 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 58 12.657 4.453 -6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.853 5.823 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.091 7.050 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.631 6.819 -6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.235 5.821 -8.382 1.00 0.00 H new ATOM 854 N ASP A 59 11.547 5.649 -3.706 1.00 0.00 N ATOM 855 CA ASP A 59 11.947 6.257 -2.403 1.00 0.00 C ATOM 856 C ASP A 59 12.673 5.216 -1.545 1.00 0.00 C ATOM 857 O ASP A 59 12.721 5.326 -0.336 1.00 0.00 O ATOM 858 CB ASP A 59 10.696 6.742 -1.672 1.00 0.00 C ATOM 859 CG ASP A 59 10.330 8.142 -2.173 1.00 0.00 C ATOM 860 OD1 ASP A 59 11.213 8.981 -2.131 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.186 8.291 -2.570 1.00 0.00 O ATOM 0 H ASP A 59 10.646 5.172 -3.711 1.00 0.00 H new ATOM 0 HA ASP A 59 12.617 7.098 -2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.869 6.053 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.874 6.763 -0.597 1.00 0.00 H new ATOM 866 N CYS A 60 13.225 4.230 -2.195 1.00 0.00 N ATOM 867 CA CYS A 60 13.951 3.166 -1.443 1.00 0.00 C ATOM 868 C CYS A 60 15.456 3.500 -1.370 1.00 0.00 C ATOM 869 O CYS A 60 15.951 4.288 -2.153 1.00 0.00 O ATOM 870 CB CYS A 60 13.767 1.848 -2.182 1.00 0.00 C ATOM 871 SG CYS A 60 12.539 0.702 -1.530 1.00 0.00 S ATOM 0 H CYS A 60 13.206 4.114 -3.208 1.00 0.00 H new ATOM 0 HA CYS A 60 13.556 3.097 -0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.503 2.074 -3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.729 1.336 -2.204 1.00 0.00 H new