USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=8 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= 0.152 USER MOD Single : A 7 LYS NZ :NH3+ -148:sc= -0.0773 (180deg=-0.686) USER MOD Single : A 9 ASN : amide:sc= -3.56 K(o=-3.6,f=-4.4!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -174:sc= -0.179 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 169:sc= -0.101 USER MOD Single : A 24 GLN : amide:sc= -0.654 X(o=-0.65,f=-0.33) USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0912) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -3.14! (180deg=-3.39!) USER MOD Single : A 43 SER OG : rot -50:sc= 0.0583 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -6.5! K(o=-6.5!,f=-1.7) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -7.844 10.109 -0.227 1.00 0.00 N ATOM 66 CA CYS A 5 -7.126 10.158 1.079 1.00 0.00 C ATOM 67 C CYS A 5 -6.228 11.399 1.135 1.00 0.00 C ATOM 68 O CYS A 5 -6.055 12.087 0.149 1.00 0.00 O ATOM 69 CB CYS A 5 -6.275 8.898 1.232 1.00 0.00 C ATOM 70 SG CYS A 5 -7.078 7.308 0.905 1.00 0.00 S ATOM 0 HA CYS A 5 -7.852 10.210 1.890 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.418 8.987 0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.885 8.876 2.250 1.00 0.00 H new ATOM 75 N THR A 6 -5.675 11.658 2.288 1.00 0.00 N ATOM 76 CA THR A 6 -4.795 12.854 2.423 1.00 0.00 C ATOM 77 C THR A 6 -3.339 12.490 2.109 1.00 0.00 C ATOM 78 O THR A 6 -2.875 12.675 1.001 1.00 0.00 O ATOM 79 CB THR A 6 -4.891 13.382 3.854 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.165 12.234 4.651 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.102 14.297 4.033 1.00 0.00 C ATOM 0 H THR A 6 -5.792 11.101 3.134 1.00 0.00 H new ATOM 0 HA THR A 6 -5.121 13.618 1.717 1.00 0.00 H new ATOM 0 HB THR A 6 -3.982 13.927 4.110 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.239 12.499 5.592 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.139 14.654 5.062 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.019 15.148 3.357 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.013 13.743 3.808 1.00 0.00 H new ATOM 89 N LYS A 7 -2.651 11.983 3.093 1.00 0.00 N ATOM 90 CA LYS A 7 -1.220 11.614 2.874 1.00 0.00 C ATOM 91 C LYS A 7 -1.072 10.817 1.547 1.00 0.00 C ATOM 92 O LYS A 7 -1.991 10.132 1.140 1.00 0.00 O ATOM 93 CB LYS A 7 -0.744 10.748 4.045 1.00 0.00 C ATOM 94 CG LYS A 7 -1.960 10.151 4.760 1.00 0.00 C ATOM 95 CD LYS A 7 -1.501 9.012 5.672 1.00 0.00 C ATOM 96 CE LYS A 7 -2.341 9.026 6.952 1.00 0.00 C ATOM 97 NZ LYS A 7 -2.060 10.255 7.747 1.00 0.00 N ATOM 0 H LYS A 7 -3.011 11.808 4.031 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.618 12.520 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.094 9.952 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.157 11.348 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.466 10.919 5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.680 9.780 4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.609 8.055 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.444 9.127 5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.400 8.984 6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.120 8.141 7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.160 10.043 8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.090 10.578 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.733 11.002 7.481 1.00 0.00 H new ATOM 111 N PRO A 8 0.089 10.919 0.892 1.00 0.00 N ATOM 112 CA PRO A 8 0.325 10.190 -0.367 1.00 0.00 C ATOM 113 C PRO A 8 0.301 8.672 -0.133 1.00 0.00 C ATOM 114 O PRO A 8 0.059 8.216 0.965 1.00 0.00 O ATOM 115 CB PRO A 8 1.721 10.623 -0.831 1.00 0.00 C ATOM 116 CG PRO A 8 2.341 11.479 0.311 1.00 0.00 C ATOM 117 CD PRO A 8 1.226 11.752 1.336 1.00 0.00 C ATOM 0 HA PRO A 8 -0.446 10.412 -1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.343 9.753 -1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.658 11.200 -1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.172 10.951 0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.739 12.415 -0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.542 11.484 2.344 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.958 12.808 1.356 1.00 0.00 H new ATOM 125 N ASN A 9 0.563 7.930 -1.177 1.00 0.00 N ATOM 126 CA ASN A 9 0.569 6.440 -1.049 1.00 0.00 C ATOM 127 C ASN A 9 -0.773 5.939 -0.501 1.00 0.00 C ATOM 128 O ASN A 9 -1.604 5.467 -1.249 1.00 0.00 O ATOM 129 CB ASN A 9 1.713 6.016 -0.119 1.00 0.00 C ATOM 130 CG ASN A 9 2.957 6.858 -0.421 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.733 6.549 -1.306 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.185 7.925 0.293 1.00 0.00 N ATOM 0 H ASN A 9 0.772 8.288 -2.109 1.00 0.00 H new ATOM 0 HA ASN A 9 0.719 5.999 -2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.417 6.146 0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.935 4.958 -0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.010 8.496 0.108 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.538 8.189 1.036 1.00 0.00 H new ATOM 139 N GLU A 10 -0.961 6.046 0.788 1.00 0.00 N ATOM 140 CA GLU A 10 -2.250 5.578 1.373 1.00 0.00 C ATOM 141 C GLU A 10 -3.412 6.113 0.535 1.00 0.00 C ATOM 142 O GLU A 10 -3.871 7.218 0.743 1.00 0.00 O ATOM 143 CB GLU A 10 -2.367 6.089 2.807 1.00 0.00 C ATOM 144 CG GLU A 10 -1.131 5.648 3.598 1.00 0.00 C ATOM 145 CD GLU A 10 -1.576 4.996 4.909 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.497 5.539 5.498 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.970 3.993 5.249 1.00 0.00 O ATOM 0 H GLU A 10 -0.289 6.431 1.452 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.281 4.488 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.450 7.176 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.271 5.698 3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.541 4.945 3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.491 6.506 3.804 1.00 0.00 H new ATOM 154 N GLN A 11 -3.859 5.307 -0.396 1.00 0.00 N ATOM 155 CA GLN A 11 -4.983 5.738 -1.280 1.00 0.00 C ATOM 156 C GLN A 11 -6.161 4.787 -1.118 1.00 0.00 C ATOM 157 O GLN A 11 -6.010 3.680 -0.646 1.00 0.00 O ATOM 158 CB GLN A 11 -4.512 5.720 -2.734 1.00 0.00 C ATOM 159 CG GLN A 11 -5.185 6.866 -3.492 1.00 0.00 C ATOM 160 CD GLN A 11 -5.151 6.570 -4.992 1.00 0.00 C ATOM 161 OE1 GLN A 11 -6.173 6.359 -5.617 1.00 0.00 O ATOM 162 NE2 GLN A 11 -4.002 6.544 -5.607 1.00 0.00 N ATOM 0 H GLN A 11 -3.495 4.372 -0.581 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.296 6.745 -1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.428 5.824 -2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.760 4.765 -3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.215 6.983 -3.156 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.673 7.805 -3.283 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.142 6.720 -5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.963 6.348 -6.607 1.00 0.00 H new ATOM 171 N TRP A 12 -7.310 5.235 -1.518 1.00 0.00 N ATOM 172 CA TRP A 12 -8.509 4.370 -1.385 1.00 0.00 C ATOM 173 C TRP A 12 -8.304 3.046 -2.099 1.00 0.00 C ATOM 174 O TRP A 12 -7.751 2.998 -3.180 1.00 0.00 O ATOM 175 CB TRP A 12 -9.704 5.066 -2.007 1.00 0.00 C ATOM 176 CG TRP A 12 -10.898 4.112 -1.969 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.331 3.397 -3.006 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.654 3.912 -0.919 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.409 2.757 -2.516 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.680 3.034 -1.198 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.518 4.439 0.347 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.579 2.693 -0.211 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.412 4.094 1.337 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.444 3.222 1.058 1.00 0.00 C ATOM 0 H TRP A 12 -7.473 6.155 -1.928 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.678 4.185 -0.324 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.934 5.982 -1.463 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.482 5.353 -3.035 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.916 3.344 -4.002 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.976 2.120 -3.076 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.710 5.123 0.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.389 2.013 -0.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.305 4.506 2.330 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.147 2.953 1.832 1.00 0.00 H new ATOM 195 N THR A 13 -8.754 1.993 -1.480 1.00 0.00 N ATOM 196 CA THR A 13 -8.624 0.666 -2.128 1.00 0.00 C ATOM 197 C THR A 13 -9.838 -0.200 -1.787 1.00 0.00 C ATOM 198 O THR A 13 -10.086 -0.506 -0.638 1.00 0.00 O ATOM 199 CB THR A 13 -7.343 -0.025 -1.648 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.586 -1.413 -1.846 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.137 0.138 -0.144 1.00 0.00 C ATOM 0 H THR A 13 -9.201 1.995 -0.563 1.00 0.00 H new ATOM 0 HA THR A 13 -8.574 0.801 -3.208 1.00 0.00 H new ATOM 0 HB THR A 13 -6.482 0.388 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.845 -1.932 -1.469 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.218 -0.367 0.154 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.065 1.198 0.101 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.981 -0.301 0.388 1.00 0.00 H new ATOM 209 N LYS A 14 -10.582 -0.565 -2.793 1.00 0.00 N ATOM 210 CA LYS A 14 -11.775 -1.413 -2.539 1.00 0.00 C ATOM 211 C LYS A 14 -11.338 -2.763 -1.966 1.00 0.00 C ATOM 212 O LYS A 14 -12.137 -3.508 -1.435 1.00 0.00 O ATOM 213 CB LYS A 14 -12.525 -1.618 -3.851 1.00 0.00 C ATOM 214 CG LYS A 14 -12.841 -0.251 -4.453 1.00 0.00 C ATOM 215 CD LYS A 14 -14.253 -0.265 -5.045 1.00 0.00 C ATOM 216 CE LYS A 14 -14.321 -1.305 -6.164 1.00 0.00 C ATOM 217 NZ LYS A 14 -14.810 -0.680 -7.424 1.00 0.00 N ATOM 0 H LYS A 14 -10.417 -0.316 -3.768 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.430 -0.924 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.922 -2.205 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.445 -2.176 -3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.764 0.521 -3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.114 -0.006 -5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.983 -0.500 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.507 0.721 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.335 -1.740 -6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.985 -2.119 -5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.851 -1.398 -8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.760 -0.286 -7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.161 0.081 -7.708 1.00 0.00 H new ATOM 231 N CYS A 15 -10.066 -3.044 -2.088 1.00 0.00 N ATOM 232 CA CYS A 15 -9.534 -4.328 -1.549 1.00 0.00 C ATOM 233 C CYS A 15 -8.174 -4.088 -0.882 1.00 0.00 C ATOM 234 O CYS A 15 -7.151 -4.091 -1.538 1.00 0.00 O ATOM 235 CB CYS A 15 -9.366 -5.321 -2.692 1.00 0.00 C ATOM 236 SG CYS A 15 -7.946 -6.442 -2.614 1.00 0.00 S ATOM 0 H CYS A 15 -9.376 -2.441 -2.536 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.231 -4.727 -0.812 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.271 -5.926 -2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.300 -4.757 -3.622 1.00 0.00 H new ATOM 241 N GLY A 16 -8.192 -3.887 0.406 1.00 0.00 N ATOM 242 CA GLY A 16 -6.909 -3.644 1.124 1.00 0.00 C ATOM 243 C GLY A 16 -6.196 -4.968 1.408 1.00 0.00 C ATOM 244 O GLY A 16 -6.361 -5.931 0.682 1.00 0.00 O ATOM 0 H GLY A 16 -9.030 -3.880 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.266 -2.999 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.103 -3.120 2.060 1.00 0.00 H new ATOM 248 N GLY A 17 -5.419 -4.984 2.464 1.00 0.00 N ATOM 249 CA GLY A 17 -4.677 -6.229 2.829 1.00 0.00 C ATOM 250 C GLY A 17 -3.168 -5.987 2.761 1.00 0.00 C ATOM 251 O GLY A 17 -2.683 -4.951 3.171 1.00 0.00 O ATOM 0 H GLY A 17 -5.268 -4.190 3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.956 -6.546 3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.953 -7.037 2.152 1.00 0.00 H new ATOM 255 N CYS A 18 -2.456 -6.950 2.245 1.00 0.00 N ATOM 256 CA CYS A 18 -0.976 -6.794 2.140 1.00 0.00 C ATOM 257 C CYS A 18 -0.614 -6.037 0.858 1.00 0.00 C ATOM 258 O CYS A 18 -1.469 -5.751 0.043 1.00 0.00 O ATOM 259 CB CYS A 18 -0.334 -8.178 2.120 1.00 0.00 C ATOM 260 SG CYS A 18 -1.056 -9.442 3.195 1.00 0.00 S ATOM 0 H CYS A 18 -2.830 -7.832 1.894 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.609 -6.226 2.995 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.364 -8.549 1.096 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.717 -8.067 2.388 1.00 0.00 H new ATOM 265 N GLU A 19 0.645 -5.726 0.703 1.00 0.00 N ATOM 266 CA GLU A 19 1.069 -4.985 -0.522 1.00 0.00 C ATOM 267 C GLU A 19 2.469 -5.423 -0.972 1.00 0.00 C ATOM 268 O GLU A 19 2.909 -6.516 -0.668 1.00 0.00 O ATOM 269 CB GLU A 19 1.049 -3.475 -0.238 1.00 0.00 C ATOM 270 CG GLU A 19 2.256 -3.075 0.624 1.00 0.00 C ATOM 271 CD GLU A 19 2.575 -4.187 1.624 1.00 0.00 C ATOM 272 OE1 GLU A 19 1.837 -4.272 2.592 1.00 0.00 O ATOM 273 OE2 GLU A 19 3.537 -4.890 1.364 1.00 0.00 O ATOM 0 H GLU A 19 1.391 -5.949 1.362 1.00 0.00 H new ATOM 0 HA GLU A 19 0.372 -5.213 -1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.066 -2.922 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.124 -3.207 0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.121 -2.887 -0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.043 -2.147 1.155 1.00 0.00 H new ATOM 280 N GLY A 20 3.137 -4.561 -1.692 1.00 0.00 N ATOM 281 CA GLY A 20 4.497 -4.915 -2.186 1.00 0.00 C ATOM 282 C GLY A 20 5.592 -4.360 -1.272 1.00 0.00 C ATOM 283 O GLY A 20 5.328 -3.608 -0.354 1.00 0.00 O ATOM 0 H GLY A 20 2.802 -3.635 -1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.591 -5.999 -2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.631 -4.524 -3.194 1.00 0.00 H new ATOM 287 N THR A 21 6.805 -4.752 -1.557 1.00 0.00 N ATOM 288 CA THR A 21 7.959 -4.270 -0.745 1.00 0.00 C ATOM 289 C THR A 21 9.082 -3.815 -1.678 1.00 0.00 C ATOM 290 O THR A 21 8.953 -3.886 -2.883 1.00 0.00 O ATOM 291 CB THR A 21 8.459 -5.411 0.144 1.00 0.00 C ATOM 292 OG1 THR A 21 8.639 -6.510 -0.742 1.00 0.00 O ATOM 293 CG2 THR A 21 7.384 -5.862 1.131 1.00 0.00 C ATOM 0 H THR A 21 7.046 -5.386 -2.318 1.00 0.00 H new ATOM 0 HA THR A 21 7.647 -3.432 -0.122 1.00 0.00 H new ATOM 0 HB THR A 21 9.347 -5.095 0.691 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.124 -7.226 -0.281 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.773 -6.673 1.747 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.102 -5.025 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.509 -6.210 0.582 1.00 0.00 H new ATOM 301 N CYS A 22 10.165 -3.368 -1.109 1.00 0.00 N ATOM 302 CA CYS A 22 11.292 -2.907 -1.966 1.00 0.00 C ATOM 303 C CYS A 22 11.985 -4.113 -2.596 1.00 0.00 C ATOM 304 O CYS A 22 13.046 -3.994 -3.175 1.00 0.00 O ATOM 305 CB CYS A 22 12.290 -2.126 -1.110 1.00 0.00 C ATOM 306 SG CYS A 22 13.512 -1.114 -1.974 1.00 0.00 S ATOM 0 H CYS A 22 10.319 -3.302 -0.103 1.00 0.00 H new ATOM 0 HA CYS A 22 10.909 -2.262 -2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.725 -1.475 -0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.826 -2.838 -0.482 1.00 0.00 H new ATOM 311 N ALA A 23 11.362 -5.253 -2.469 1.00 0.00 N ATOM 312 CA ALA A 23 11.968 -6.487 -3.048 1.00 0.00 C ATOM 313 C ALA A 23 10.882 -7.440 -3.585 1.00 0.00 C ATOM 314 O ALA A 23 11.185 -8.395 -4.270 1.00 0.00 O ATOM 315 CB ALA A 23 12.767 -7.194 -1.959 1.00 0.00 C ATOM 0 H ALA A 23 10.469 -5.384 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 23 12.615 -6.206 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.217 -8.099 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.552 -6.531 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.104 -7.458 -1.135 1.00 0.00 H new ATOM 321 N GLN A 24 9.641 -7.159 -3.268 1.00 0.00 N ATOM 322 CA GLN A 24 8.543 -8.052 -3.749 1.00 0.00 C ATOM 323 C GLN A 24 7.273 -7.236 -4.025 1.00 0.00 C ATOM 324 O GLN A 24 6.427 -7.097 -3.167 1.00 0.00 O ATOM 325 CB GLN A 24 8.243 -9.100 -2.674 1.00 0.00 C ATOM 326 CG GLN A 24 9.026 -10.381 -2.977 1.00 0.00 C ATOM 327 CD GLN A 24 8.411 -11.077 -4.191 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.093 -11.424 -5.134 1.00 0.00 O ATOM 329 NE2 GLN A 24 7.126 -11.301 -4.208 1.00 0.00 N ATOM 0 H GLN A 24 9.345 -6.362 -2.705 1.00 0.00 H new ATOM 0 HA GLN A 24 8.859 -8.538 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.518 -8.717 -1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.174 -9.312 -2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.072 -10.144 -3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.005 -11.046 -2.114 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.547 -11.012 -3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.700 -11.765 -5.010 1.00 0.00 H new ATOM 338 N LYS A 25 7.172 -6.716 -5.216 1.00 0.00 N ATOM 339 CA LYS A 25 5.965 -5.906 -5.569 1.00 0.00 C ATOM 340 C LYS A 25 4.686 -6.595 -5.066 1.00 0.00 C ATOM 341 O LYS A 25 3.714 -5.940 -4.751 1.00 0.00 O ATOM 342 CB LYS A 25 5.896 -5.753 -7.094 1.00 0.00 C ATOM 343 CG LYS A 25 4.824 -4.714 -7.462 1.00 0.00 C ATOM 344 CD LYS A 25 5.432 -3.308 -7.421 1.00 0.00 C ATOM 345 CE LYS A 25 5.880 -2.911 -8.830 1.00 0.00 C ATOM 346 NZ LYS A 25 4.728 -2.380 -9.614 1.00 0.00 N ATOM 0 H LYS A 25 7.865 -6.814 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 25 6.042 -4.927 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.866 -5.442 -7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.660 -6.712 -7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.429 -4.921 -8.457 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.987 -4.779 -6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.700 -2.593 -7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.280 -3.286 -6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.665 -2.157 -8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.307 -3.775 -9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.909 -2.511 -10.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.862 -2.891 -9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.608 -1.367 -9.412 1.00 0.00 H new ATOM 360 N ILE A 26 4.710 -7.901 -5.020 1.00 0.00 N ATOM 361 CA ILE A 26 3.504 -8.647 -4.543 1.00 0.00 C ATOM 362 C ILE A 26 3.904 -9.701 -3.509 1.00 0.00 C ATOM 363 O ILE A 26 4.527 -10.692 -3.832 1.00 0.00 O ATOM 364 CB ILE A 26 2.835 -9.321 -5.742 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.151 -8.242 -6.588 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.785 -10.319 -5.249 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.929 -8.769 -8.005 1.00 0.00 C ATOM 0 H ILE A 26 5.505 -8.481 -5.289 1.00 0.00 H new ATOM 0 HA ILE A 26 2.809 -7.951 -4.072 1.00 0.00 H new ATOM 0 HB ILE A 26 3.581 -9.849 -6.336 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.198 -7.963 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.766 -7.342 -6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.309 -10.799 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.265 -11.076 -4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.032 -9.794 -4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.442 -8.001 -8.607 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.889 -9.026 -8.452 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.297 -9.656 -7.968 1.00 0.00 H new ATOM 379 N VAL A 27 3.537 -9.456 -2.280 1.00 0.00 N ATOM 380 CA VAL A 27 3.880 -10.424 -1.202 1.00 0.00 C ATOM 381 C VAL A 27 2.738 -11.480 -1.058 1.00 0.00 C ATOM 382 O VAL A 27 1.600 -11.108 -0.853 1.00 0.00 O ATOM 383 CB VAL A 27 4.011 -9.650 0.110 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.652 -9.044 0.472 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.454 -10.600 1.223 1.00 0.00 C ATOM 0 H VAL A 27 3.017 -8.632 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 27 4.812 -10.935 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 27 4.751 -8.858 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.738 -8.490 1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.332 -8.369 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.918 -9.841 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.547 -10.047 2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.714 -11.392 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.417 -11.040 0.964 1.00 0.00 H new ATOM 395 N PRO A 28 3.049 -12.783 -1.168 1.00 0.00 N ATOM 396 CA PRO A 28 2.007 -13.815 -1.038 1.00 0.00 C ATOM 397 C PRO A 28 1.357 -13.756 0.350 1.00 0.00 C ATOM 398 O PRO A 28 2.037 -13.786 1.357 1.00 0.00 O ATOM 399 CB PRO A 28 2.728 -15.153 -1.230 1.00 0.00 C ATOM 400 CG PRO A 28 4.238 -14.843 -1.451 1.00 0.00 C ATOM 401 CD PRO A 28 4.405 -13.312 -1.424 1.00 0.00 C ATOM 0 HA PRO A 28 1.210 -13.674 -1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.591 -15.791 -0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.318 -15.690 -2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.843 -15.308 -0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.577 -15.249 -2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.102 -13.005 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.801 -12.942 -2.370 1.00 0.00 H new ATOM 409 N CYS A 29 0.051 -13.672 0.370 1.00 0.00 N ATOM 410 CA CYS A 29 -0.669 -13.610 1.673 1.00 0.00 C ATOM 411 C CYS A 29 -1.893 -14.531 1.652 1.00 0.00 C ATOM 412 O CYS A 29 -2.675 -14.508 0.721 1.00 0.00 O ATOM 413 CB CYS A 29 -1.110 -12.181 1.914 1.00 0.00 C ATOM 414 SG CYS A 29 0.030 -11.101 2.816 1.00 0.00 S ATOM 0 H CYS A 29 -0.544 -13.644 -0.458 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.004 -13.939 2.472 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.314 -11.723 0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.053 -12.207 2.460 1.00 0.00 H new ATOM 419 N THR A 30 -2.031 -15.325 2.679 1.00 0.00 N ATOM 420 CA THR A 30 -3.196 -16.257 2.733 1.00 0.00 C ATOM 421 C THR A 30 -4.494 -15.472 2.954 1.00 0.00 C ATOM 422 O THR A 30 -5.567 -16.040 2.985 1.00 0.00 O ATOM 423 CB THR A 30 -2.994 -17.244 3.886 1.00 0.00 C ATOM 424 OG1 THR A 30 -3.055 -16.446 5.064 1.00 0.00 O ATOM 425 CG2 THR A 30 -1.588 -17.838 3.875 1.00 0.00 C ATOM 0 H THR A 30 -1.396 -15.370 3.476 1.00 0.00 H new ATOM 0 HA THR A 30 -3.268 -16.796 1.789 1.00 0.00 H new ATOM 0 HB THR A 30 -3.728 -18.047 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.934 -17.016 5.852 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.480 -18.534 4.707 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.424 -18.367 2.936 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.854 -17.038 3.974 1.00 0.00 H new ATOM 433 N ARG A 31 -4.368 -14.182 3.100 1.00 0.00 N ATOM 434 CA ARG A 31 -5.586 -13.348 3.317 1.00 0.00 C ATOM 435 C ARG A 31 -6.378 -13.216 2.011 1.00 0.00 C ATOM 436 O ARG A 31 -6.347 -14.095 1.174 1.00 0.00 O ATOM 437 CB ARG A 31 -5.164 -11.961 3.799 1.00 0.00 C ATOM 438 CG ARG A 31 -4.167 -12.112 4.949 1.00 0.00 C ATOM 439 CD ARG A 31 -3.961 -10.752 5.618 1.00 0.00 C ATOM 440 NE ARG A 31 -4.633 -10.759 6.948 1.00 0.00 N ATOM 441 CZ ARG A 31 -3.918 -10.603 8.027 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.951 -11.445 8.269 1.00 0.00 N ATOM 443 NH2 ARG A 31 -4.194 -9.611 8.829 1.00 0.00 N ATOM 0 H ARG A 31 -3.485 -13.672 3.079 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.218 -13.826 4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.712 -11.400 2.981 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.036 -11.396 4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.538 -12.835 5.675 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.217 -12.494 4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.897 -10.547 5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.371 -9.959 4.993 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.643 -10.885 7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.765 -12.209 7.619 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.381 -11.339 9.108 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.958 -8.973 8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.645 -9.474 9.678 1.00 0.00 H new ATOM 457 N GLU A 32 -7.071 -12.119 1.864 1.00 0.00 N ATOM 458 CA GLU A 32 -7.867 -11.919 0.618 1.00 0.00 C ATOM 459 C GLU A 32 -7.902 -10.435 0.239 1.00 0.00 C ATOM 460 O GLU A 32 -7.217 -10.007 -0.667 1.00 0.00 O ATOM 461 CB GLU A 32 -9.291 -12.422 0.846 1.00 0.00 C ATOM 462 CG GLU A 32 -9.265 -13.940 1.039 1.00 0.00 C ATOM 463 CD GLU A 32 -10.694 -14.483 0.980 1.00 0.00 C ATOM 464 OE1 GLU A 32 -11.505 -13.960 1.727 1.00 0.00 O ATOM 465 OE2 GLU A 32 -10.894 -15.394 0.193 1.00 0.00 O ATOM 0 H GLU A 32 -7.121 -11.360 2.544 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.402 -12.476 -0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.724 -11.940 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.921 -12.162 -0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.655 -14.406 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.809 -14.188 1.997 1.00 0.00 H new ATOM 472 N CYS A 33 -8.701 -9.684 0.943 1.00 0.00 N ATOM 473 CA CYS A 33 -8.794 -8.226 0.632 1.00 0.00 C ATOM 474 C CYS A 33 -9.484 -7.474 1.777 1.00 0.00 C ATOM 475 O CYS A 33 -10.694 -7.454 1.862 1.00 0.00 O ATOM 476 CB CYS A 33 -9.609 -8.042 -0.650 1.00 0.00 C ATOM 477 SG CYS A 33 -8.749 -8.255 -2.229 1.00 0.00 S ATOM 0 H CYS A 33 -9.288 -10.009 1.711 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.788 -7.826 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.441 -8.746 -0.623 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.039 -7.040 -0.634 1.00 0.00 H new ATOM 482 N LYS A 34 -8.699 -6.873 2.634 1.00 0.00 N ATOM 483 CA LYS A 34 -9.303 -6.111 3.764 1.00 0.00 C ATOM 484 C LYS A 34 -10.454 -5.232 3.222 1.00 0.00 C ATOM 485 O LYS A 34 -10.445 -4.860 2.065 1.00 0.00 O ATOM 486 CB LYS A 34 -8.220 -5.221 4.381 1.00 0.00 C ATOM 487 CG LYS A 34 -7.377 -6.046 5.366 1.00 0.00 C ATOM 488 CD LYS A 34 -8.042 -6.052 6.748 1.00 0.00 C ATOM 489 CE LYS A 34 -7.094 -6.710 7.751 1.00 0.00 C ATOM 490 NZ LYS A 34 -6.156 -7.635 7.056 1.00 0.00 N ATOM 0 H LYS A 34 -7.680 -6.877 2.601 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.696 -6.793 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.584 -4.809 3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.678 -4.377 4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.271 -7.067 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.373 -5.627 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.273 -5.033 7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.986 -6.595 6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.530 -5.944 8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.669 -7.259 8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.687 -8.244 7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.685 -8.225 6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.440 -7.082 6.543 1.00 0.00 H new ATOM 504 N PRO A 35 -11.433 -4.912 4.062 1.00 0.00 N ATOM 505 CA PRO A 35 -12.560 -4.082 3.621 1.00 0.00 C ATOM 506 C PRO A 35 -12.048 -2.769 2.981 1.00 0.00 C ATOM 507 O PRO A 35 -10.898 -2.411 3.135 1.00 0.00 O ATOM 508 CB PRO A 35 -13.370 -3.794 4.893 1.00 0.00 C ATOM 509 CG PRO A 35 -12.687 -4.564 6.064 1.00 0.00 C ATOM 510 CD PRO A 35 -11.488 -5.330 5.475 1.00 0.00 C ATOM 0 HA PRO A 35 -13.165 -4.580 2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.394 -2.724 5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.404 -4.118 4.772 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.357 -3.871 6.838 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.390 -5.253 6.532 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.564 -5.081 5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.624 -6.408 5.564 1.00 0.00 H new ATOM 518 N PRO A 36 -12.928 -2.078 2.270 1.00 0.00 N ATOM 519 CA PRO A 36 -12.567 -0.813 1.608 1.00 0.00 C ATOM 520 C PRO A 36 -12.030 0.214 2.610 1.00 0.00 C ATOM 521 O PRO A 36 -12.656 0.490 3.614 1.00 0.00 O ATOM 522 CB PRO A 36 -13.871 -0.299 0.989 1.00 0.00 C ATOM 523 CG PRO A 36 -14.984 -1.337 1.311 1.00 0.00 C ATOM 524 CD PRO A 36 -14.328 -2.495 2.082 1.00 0.00 C ATOM 0 HA PRO A 36 -11.780 -0.968 0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.129 0.678 1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.761 -0.176 -0.089 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.774 -0.879 1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.446 -1.701 0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.822 -2.663 3.039 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.391 -3.428 1.522 1.00 0.00 H new ATOM 532 N ARG A 37 -10.881 0.762 2.307 1.00 0.00 N ATOM 533 CA ARG A 37 -10.282 1.785 3.225 1.00 0.00 C ATOM 534 C ARG A 37 -8.998 2.351 2.610 1.00 0.00 C ATOM 535 O ARG A 37 -8.450 1.785 1.688 1.00 0.00 O ATOM 536 CB ARG A 37 -9.941 1.131 4.572 1.00 0.00 C ATOM 537 CG ARG A 37 -10.044 2.180 5.686 1.00 0.00 C ATOM 538 CD ARG A 37 -11.477 2.206 6.218 1.00 0.00 C ATOM 539 NE ARG A 37 -11.718 3.508 6.904 1.00 0.00 N ATOM 540 CZ ARG A 37 -10.754 4.062 7.588 1.00 0.00 C ATOM 541 NH1 ARG A 37 -10.438 3.561 8.751 1.00 0.00 N ATOM 542 NH2 ARG A 37 -10.138 5.096 7.085 1.00 0.00 N ATOM 0 H ARG A 37 -10.334 0.550 1.473 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.002 2.590 3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.623 0.305 4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.935 0.713 4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.348 1.943 6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.767 3.163 5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.185 2.075 5.399 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.636 1.380 6.912 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.629 3.962 6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.941 2.750 9.111 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.688 3.980 9.300 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.412 5.458 6.172 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.382 5.542 7.605 1.00 0.00 H new ATOM 556 N CYS A 38 -8.555 3.468 3.120 1.00 0.00 N ATOM 557 CA CYS A 38 -7.287 4.062 2.594 1.00 0.00 C ATOM 558 C CYS A 38 -6.119 3.119 2.905 1.00 0.00 C ATOM 559 O CYS A 38 -5.944 2.704 4.034 1.00 0.00 O ATOM 560 CB CYS A 38 -7.044 5.414 3.266 1.00 0.00 C ATOM 561 SG CYS A 38 -7.983 6.834 2.649 1.00 0.00 S ATOM 0 H CYS A 38 -9.008 3.992 3.869 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.366 4.201 1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.259 5.305 4.329 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.983 5.648 3.177 1.00 0.00 H new ATOM 566 N GLU A 39 -5.339 2.795 1.904 1.00 0.00 N ATOM 567 CA GLU A 39 -4.194 1.864 2.159 1.00 0.00 C ATOM 568 C GLU A 39 -3.176 1.910 1.013 1.00 0.00 C ATOM 569 O GLU A 39 -3.258 2.743 0.134 1.00 0.00 O ATOM 570 CB GLU A 39 -4.734 0.441 2.298 1.00 0.00 C ATOM 571 CG GLU A 39 -4.215 -0.168 3.603 1.00 0.00 C ATOM 572 CD GLU A 39 -4.661 -1.628 3.693 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.798 -2.219 2.635 1.00 0.00 O ATOM 574 OE2 GLU A 39 -4.840 -2.071 4.816 1.00 0.00 O ATOM 0 H GLU A 39 -5.439 3.124 0.944 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.691 2.174 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.824 0.451 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.419 -0.165 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.127 -0.105 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.596 0.394 4.456 1.00 0.00 H new ATOM 581 N CYS A 40 -2.234 1.002 1.054 1.00 0.00 N ATOM 582 CA CYS A 40 -1.186 0.964 -0.011 1.00 0.00 C ATOM 583 C CYS A 40 -1.744 0.340 -1.297 1.00 0.00 C ATOM 584 O CYS A 40 -2.782 -0.292 -1.282 1.00 0.00 O ATOM 585 CB CYS A 40 -0.007 0.127 0.485 1.00 0.00 C ATOM 586 SG CYS A 40 1.651 0.620 -0.048 1.00 0.00 S ATOM 0 H CYS A 40 -2.145 0.287 1.776 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.864 1.982 -0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.025 0.133 1.575 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.169 -0.903 0.169 1.00 0.00 H new ATOM 591 N ILE A 41 -1.031 0.529 -2.379 1.00 0.00 N ATOM 592 CA ILE A 41 -1.492 -0.039 -3.684 1.00 0.00 C ATOM 593 C ILE A 41 -0.302 -0.654 -4.439 1.00 0.00 C ATOM 594 O ILE A 41 0.528 0.052 -4.971 1.00 0.00 O ATOM 595 CB ILE A 41 -2.104 1.085 -4.528 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.221 1.769 -3.729 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.686 0.494 -5.814 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.660 3.019 -3.039 1.00 0.00 C ATOM 0 H ILE A 41 -0.154 1.049 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.235 -0.815 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.335 1.816 -4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.042 2.043 -4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.626 1.081 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.122 1.291 -6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.894 0.003 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.457 -0.234 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.452 3.507 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.853 2.731 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.276 3.708 -3.791 1.00 0.00 H new ATOM 610 N ALA A 42 -0.247 -1.957 -4.474 1.00 0.00 N ATOM 611 CA ALA A 42 0.885 -2.623 -5.190 1.00 0.00 C ATOM 612 C ALA A 42 0.737 -2.447 -6.705 1.00 0.00 C ATOM 613 O ALA A 42 1.691 -2.147 -7.395 1.00 0.00 O ATOM 614 CB ALA A 42 0.883 -4.115 -4.854 1.00 0.00 C ATOM 0 H ALA A 42 -0.926 -2.585 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 42 1.823 -2.167 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.706 -4.606 -5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.003 -4.246 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.061 -4.558 -5.171 1.00 0.00 H new ATOM 620 N SER A 43 -0.462 -2.629 -7.185 1.00 0.00 N ATOM 621 CA SER A 43 -0.700 -2.497 -8.654 1.00 0.00 C ATOM 622 C SER A 43 -0.219 -1.134 -9.161 1.00 0.00 C ATOM 623 O SER A 43 -0.232 -0.877 -10.348 1.00 0.00 O ATOM 624 CB SER A 43 -2.194 -2.644 -8.931 1.00 0.00 C ATOM 625 OG SER A 43 -2.256 -3.094 -10.276 1.00 0.00 O ATOM 0 H SER A 43 -1.285 -2.862 -6.629 1.00 0.00 H new ATOM 0 HA SER A 43 -0.142 -3.276 -9.174 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.657 -3.358 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.718 -1.697 -8.803 1.00 0.00 H new ATOM 0 HG SER A 43 -1.701 -2.516 -10.840 1.00 0.00 H new ATOM 631 N ALA A 44 0.196 -0.289 -8.251 1.00 0.00 N ATOM 632 CA ALA A 44 0.678 1.065 -8.670 1.00 0.00 C ATOM 633 C ALA A 44 2.204 1.130 -8.601 1.00 0.00 C ATOM 634 O ALA A 44 2.846 1.591 -9.523 1.00 0.00 O ATOM 635 CB ALA A 44 0.086 2.114 -7.735 1.00 0.00 C ATOM 0 H ALA A 44 0.223 -0.473 -7.248 1.00 0.00 H new ATOM 0 HA ALA A 44 0.363 1.255 -9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.432 3.104 -8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.002 2.078 -7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.404 1.911 -6.712 1.00 0.00 H new ATOM 641 N GLY A 45 2.749 0.662 -7.508 1.00 0.00 N ATOM 642 CA GLY A 45 4.236 0.689 -7.353 1.00 0.00 C ATOM 643 C GLY A 45 4.632 1.190 -5.961 1.00 0.00 C ATOM 644 O GLY A 45 5.709 1.726 -5.776 1.00 0.00 O ATOM 0 H GLY A 45 2.235 0.265 -6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.640 -0.311 -7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.673 1.335 -8.114 1.00 0.00 H new ATOM 648 N PHE A 46 3.757 1.011 -5.007 1.00 0.00 N ATOM 649 CA PHE A 46 4.084 1.472 -3.621 1.00 0.00 C ATOM 650 C PHE A 46 4.671 0.308 -2.807 1.00 0.00 C ATOM 651 O PHE A 46 4.189 -0.805 -2.885 1.00 0.00 O ATOM 652 CB PHE A 46 2.810 1.979 -2.945 1.00 0.00 C ATOM 653 CG PHE A 46 2.362 3.286 -3.610 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.938 4.493 -3.252 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.374 3.278 -4.578 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.527 5.668 -3.854 1.00 0.00 C ATOM 657 CE2 PHE A 46 0.968 4.454 -5.175 1.00 0.00 C ATOM 658 CZ PHE A 46 1.546 5.646 -4.814 1.00 0.00 C ATOM 0 H PHE A 46 2.843 0.573 -5.121 1.00 0.00 H new ATOM 0 HA PHE A 46 4.818 2.276 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.022 1.230 -3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.990 2.143 -1.882 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.712 4.517 -2.499 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.917 2.344 -4.869 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.979 6.606 -3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.194 4.437 -5.928 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.229 6.565 -5.285 1.00 0.00 H new ATOM 668 N VAL A 47 5.702 0.597 -2.043 1.00 0.00 N ATOM 669 CA VAL A 47 6.346 -0.483 -1.218 1.00 0.00 C ATOM 670 C VAL A 47 6.297 -0.139 0.270 1.00 0.00 C ATOM 671 O VAL A 47 5.924 0.952 0.649 1.00 0.00 O ATOM 672 CB VAL A 47 7.807 -0.623 -1.636 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.874 -1.007 -3.108 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.522 0.714 -1.430 1.00 0.00 C ATOM 0 H VAL A 47 6.122 1.522 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 47 5.803 -1.413 -1.383 1.00 0.00 H new ATOM 0 HB VAL A 47 8.289 -1.393 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.916 -1.108 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.358 -1.955 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.395 -0.233 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.566 0.618 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.041 1.481 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.469 0.997 -0.379 1.00 0.00 H new ATOM 684 N ARG A 48 6.681 -1.087 1.083 1.00 0.00 N ATOM 685 CA ARG A 48 6.680 -0.840 2.552 1.00 0.00 C ATOM 686 C ARG A 48 8.074 -0.426 3.029 1.00 0.00 C ATOM 687 O ARG A 48 9.067 -1.001 2.628 1.00 0.00 O ATOM 688 CB ARG A 48 6.268 -2.118 3.280 1.00 0.00 C ATOM 689 CG ARG A 48 4.858 -2.520 2.848 1.00 0.00 C ATOM 690 CD ARG A 48 3.841 -1.858 3.778 1.00 0.00 C ATOM 691 NE ARG A 48 3.825 -2.589 5.078 1.00 0.00 N ATOM 692 CZ ARG A 48 3.111 -3.676 5.191 1.00 0.00 C ATOM 693 NH1 ARG A 48 3.600 -4.802 4.749 1.00 0.00 N ATOM 694 NH2 ARG A 48 1.932 -3.601 5.746 1.00 0.00 N ATOM 0 H ARG A 48 6.993 -2.015 0.795 1.00 0.00 H new ATOM 0 HA ARG A 48 5.976 -0.037 2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.971 -2.920 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.298 -1.961 4.358 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.679 -2.214 1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.749 -3.604 2.883 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.102 -0.812 3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.850 -1.874 3.325 1.00 0.00 H new ATOM 0 HE ARG A 48 4.366 -2.243 5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.527 -4.823 4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.056 -5.661 4.829 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.583 -2.704 6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.360 -4.440 5.843 1.00 0.00 H new ATOM 708 N ASP A 49 8.118 0.566 3.876 1.00 0.00 N ATOM 709 CA ASP A 49 9.436 1.020 4.401 1.00 0.00 C ATOM 710 C ASP A 49 9.740 0.303 5.715 1.00 0.00 C ATOM 711 O ASP A 49 8.838 -0.069 6.442 1.00 0.00 O ATOM 712 CB ASP A 49 9.394 2.523 4.650 1.00 0.00 C ATOM 713 CG ASP A 49 10.822 3.071 4.673 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.576 2.579 5.496 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.077 3.952 3.872 1.00 0.00 O ATOM 0 H ASP A 49 7.307 1.077 4.224 1.00 0.00 H new ATOM 0 HA ASP A 49 10.212 0.789 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.815 3.017 3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.896 2.733 5.597 1.00 0.00 H new ATOM 720 N ALA A 50 11.004 0.137 5.996 1.00 0.00 N ATOM 721 CA ALA A 50 11.395 -0.563 7.252 1.00 0.00 C ATOM 722 C ALA A 50 10.561 -0.046 8.421 1.00 0.00 C ATOM 723 O ALA A 50 10.292 -0.766 9.363 1.00 0.00 O ATOM 724 CB ALA A 50 12.874 -0.304 7.526 1.00 0.00 C ATOM 0 H ALA A 50 11.779 0.454 5.413 1.00 0.00 H new ATOM 0 HA ALA A 50 11.220 -1.633 7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.169 -0.813 8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.470 -0.681 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.042 0.767 7.635 1.00 0.00 H new ATOM 730 N GLN A 51 10.168 1.191 8.334 1.00 0.00 N ATOM 731 CA GLN A 51 9.346 1.774 9.431 1.00 0.00 C ATOM 732 C GLN A 51 7.882 1.368 9.252 1.00 0.00 C ATOM 733 O GLN A 51 6.986 2.030 9.737 1.00 0.00 O ATOM 734 CB GLN A 51 9.462 3.297 9.393 1.00 0.00 C ATOM 735 CG GLN A 51 10.854 3.705 9.880 1.00 0.00 C ATOM 736 CD GLN A 51 11.276 4.997 9.180 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.671 6.035 9.351 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.310 4.977 8.384 1.00 0.00 N ATOM 0 H GLN A 51 10.377 1.821 7.559 1.00 0.00 H new ATOM 0 HA GLN A 51 9.706 1.403 10.391 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.296 3.662 8.379 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.696 3.748 10.023 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.846 3.849 10.960 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.572 2.913 9.669 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.823 4.108 8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.605 5.831 7.910 1.00 0.00 H new ATOM 747 N GLY A 52 7.673 0.282 8.558 1.00 0.00 N ATOM 748 CA GLY A 52 6.278 -0.180 8.330 1.00 0.00 C ATOM 749 C GLY A 52 5.450 0.948 7.723 1.00 0.00 C ATOM 750 O GLY A 52 4.286 1.103 8.038 1.00 0.00 O ATOM 0 H GLY A 52 8.402 -0.299 8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.276 -1.043 7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.834 -0.503 9.272 1.00 0.00 H new ATOM 754 N ASN A 53 6.074 1.714 6.861 1.00 0.00 N ATOM 755 CA ASN A 53 5.346 2.858 6.215 1.00 0.00 C ATOM 756 C ASN A 53 5.271 2.659 4.695 1.00 0.00 C ATOM 757 O ASN A 53 6.277 2.491 4.038 1.00 0.00 O ATOM 758 CB ASN A 53 6.087 4.158 6.520 1.00 0.00 C ATOM 759 CG ASN A 53 5.791 4.581 7.960 1.00 0.00 C ATOM 760 OD1 ASN A 53 4.779 5.192 8.243 1.00 0.00 O ATOM 761 ND2 ASN A 53 6.644 4.278 8.898 1.00 0.00 N ATOM 0 H ASN A 53 7.047 1.601 6.577 1.00 0.00 H new ATOM 0 HA ASN A 53 4.332 2.902 6.612 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.159 4.020 6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.775 4.940 5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.460 4.553 9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.495 3.765 8.667 1.00 0.00 H new ATOM 768 N CYS A 54 4.073 2.693 4.172 1.00 0.00 N ATOM 769 CA CYS A 54 3.908 2.506 2.698 1.00 0.00 C ATOM 770 C CYS A 54 4.364 3.763 1.946 1.00 0.00 C ATOM 771 O CYS A 54 3.806 4.827 2.117 1.00 0.00 O ATOM 772 CB CYS A 54 2.435 2.232 2.394 1.00 0.00 C ATOM 773 SG CYS A 54 1.876 2.486 0.691 1.00 0.00 S ATOM 0 H CYS A 54 3.209 2.840 4.694 1.00 0.00 H new ATOM 0 HA CYS A 54 4.519 1.665 2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.221 1.199 2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.833 2.866 3.045 1.00 0.00 H new ATOM 778 N ILE A 55 5.377 3.607 1.128 1.00 0.00 N ATOM 779 CA ILE A 55 5.885 4.779 0.349 1.00 0.00 C ATOM 780 C ILE A 55 6.234 4.356 -1.084 1.00 0.00 C ATOM 781 O ILE A 55 6.370 3.185 -1.373 1.00 0.00 O ATOM 782 CB ILE A 55 7.132 5.347 1.044 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.246 4.288 1.069 1.00 0.00 C ATOM 784 CG2 ILE A 55 6.773 5.734 2.479 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.479 4.878 1.759 1.00 0.00 C ATOM 0 H ILE A 55 5.869 2.728 0.967 1.00 0.00 H new ATOM 0 HA ILE A 55 5.109 5.543 0.306 1.00 0.00 H new ATOM 0 HB ILE A 55 7.482 6.223 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.908 3.398 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.494 3.979 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.654 6.138 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.985 6.488 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.423 4.853 3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.275 4.133 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.819 5.756 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.223 5.166 2.779 1.00 0.00 H new ATOM 797 N LYS A 56 6.371 5.324 -1.948 1.00 0.00 N ATOM 798 CA LYS A 56 6.710 5.003 -3.369 1.00 0.00 C ATOM 799 C LYS A 56 7.918 4.059 -3.432 1.00 0.00 C ATOM 800 O LYS A 56 8.674 3.949 -2.487 1.00 0.00 O ATOM 801 CB LYS A 56 7.050 6.297 -4.119 1.00 0.00 C ATOM 802 CG LYS A 56 6.049 7.395 -3.744 1.00 0.00 C ATOM 803 CD LYS A 56 5.530 8.056 -5.023 1.00 0.00 C ATOM 804 CE LYS A 56 6.707 8.669 -5.785 1.00 0.00 C ATOM 805 NZ LYS A 56 6.385 10.061 -6.207 1.00 0.00 N ATOM 0 H LYS A 56 6.265 6.316 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 56 5.851 4.516 -3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.063 6.616 -3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.025 6.122 -5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.220 6.971 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.527 8.137 -3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.021 7.321 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.799 8.826 -4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.596 8.670 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.938 8.061 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.194 10.463 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.549 10.052 -6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.187 10.641 -5.367 1.00 0.00 H new ATOM 819 N PHE A 57 8.072 3.398 -4.550 1.00 0.00 N ATOM 820 CA PHE A 57 9.229 2.466 -4.703 1.00 0.00 C ATOM 821 C PHE A 57 10.537 3.261 -4.776 1.00 0.00 C ATOM 822 O PHE A 57 11.509 2.925 -4.126 1.00 0.00 O ATOM 823 CB PHE A 57 9.053 1.662 -5.991 1.00 0.00 C ATOM 824 CG PHE A 57 9.540 0.227 -5.770 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.832 -0.017 -5.338 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.695 -0.846 -6.001 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.270 -1.311 -5.141 1.00 0.00 C ATOM 828 CE2 PHE A 57 9.136 -2.139 -5.802 1.00 0.00 C ATOM 829 CZ PHE A 57 10.422 -2.369 -5.373 1.00 0.00 C ATOM 0 H PHE A 57 7.452 3.462 -5.358 1.00 0.00 H new ATOM 0 HA PHE A 57 9.268 1.795 -3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.005 1.659 -6.290 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.614 2.127 -6.802 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.502 0.810 -5.154 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.684 -0.670 -6.339 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.280 -1.493 -4.804 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.471 -2.970 -5.983 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.766 -3.381 -5.218 1.00 0.00 H new ATOM 839 N GLU A 58 10.532 4.302 -5.564 1.00 0.00 N ATOM 840 CA GLU A 58 11.768 5.129 -5.699 1.00 0.00 C ATOM 841 C GLU A 58 12.166 5.719 -4.342 1.00 0.00 C ATOM 842 O GLU A 58 13.281 6.169 -4.162 1.00 0.00 O ATOM 843 CB GLU A 58 11.504 6.263 -6.690 1.00 0.00 C ATOM 844 CG GLU A 58 12.813 6.638 -7.386 1.00 0.00 C ATOM 845 CD GLU A 58 12.585 7.874 -8.257 1.00 0.00 C ATOM 846 OE1 GLU A 58 12.071 7.682 -9.348 1.00 0.00 O ATOM 847 OE2 GLU A 58 12.934 8.943 -7.783 1.00 0.00 O ATOM 0 H GLU A 58 9.733 4.615 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 58 12.582 4.500 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.763 5.953 -7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.094 7.129 -6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.588 6.838 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.164 5.807 -7.998 1.00 0.00 H new ATOM 854 N ASP A 59 11.248 5.704 -3.417 1.00 0.00 N ATOM 855 CA ASP A 59 11.558 6.260 -2.067 1.00 0.00 C ATOM 856 C ASP A 59 12.093 5.154 -1.153 1.00 0.00 C ATOM 857 O ASP A 59 12.054 5.270 0.056 1.00 0.00 O ATOM 858 CB ASP A 59 10.287 6.853 -1.466 1.00 0.00 C ATOM 859 CG ASP A 59 9.835 8.045 -2.312 1.00 0.00 C ATOM 860 OD1 ASP A 59 10.677 8.537 -3.045 1.00 0.00 O ATOM 861 OD2 ASP A 59 8.675 8.397 -2.177 1.00 0.00 O ATOM 0 H ASP A 59 10.304 5.335 -3.533 1.00 0.00 H new ATOM 0 HA ASP A 59 12.318 7.036 -2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.501 6.098 -1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.470 7.170 -0.439 1.00 0.00 H new ATOM 866 N CYS A 60 12.582 4.105 -1.754 1.00 0.00 N ATOM 867 CA CYS A 60 13.126 2.977 -0.942 1.00 0.00 C ATOM 868 C CYS A 60 14.278 3.489 -0.042 1.00 0.00 C ATOM 869 O CYS A 60 14.895 4.489 -0.347 1.00 0.00 O ATOM 870 CB CYS A 60 13.657 1.906 -1.899 1.00 0.00 C ATOM 871 SG CYS A 60 12.518 0.592 -2.393 1.00 0.00 S ATOM 0 H CYS A 60 12.629 3.979 -2.765 1.00 0.00 H new ATOM 0 HA CYS A 60 12.343 2.560 -0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 60 14.007 2.405 -2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.527 1.441 -1.435 1.00 0.00 H new