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= -0.0154 USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00924) USER MOD Single : A 9 ASN : amide:sc= -3.57 X(o=-3.6,f=-3.4!) USER MOD Single : A 11 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.00032) USER MOD Single : A 13 THR OG1 : rot 170:sc=-0.00188 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 170:sc= -0.699 USER MOD Single : A 24 GLN : amide:sc= -1.92! K(o=-1.9!,f=-0.0038) USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= 0.483 (180deg=-1.14!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0838 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.24! C(o=-2.2!,f=-3.4!) USER MOD Single : A 53 ASN : amide:sc= -4.82! K(o=-4.8!,f=-1.6) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -7.312 9.877 -1.107 1.00 0.00 N ATOM 66 CA CYS A 5 -7.135 10.008 0.369 1.00 0.00 C ATOM 67 C CYS A 5 -6.398 11.312 0.700 1.00 0.00 C ATOM 68 O CYS A 5 -6.246 12.173 -0.144 1.00 0.00 O ATOM 69 CB CYS A 5 -6.332 8.814 0.885 1.00 0.00 C ATOM 70 SG CYS A 5 -7.148 7.197 0.871 1.00 0.00 S ATOM 0 HA CYS A 5 -8.113 10.029 0.849 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.421 8.738 0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.027 9.029 1.909 1.00 0.00 H new ATOM 75 N THR A 6 -5.957 11.428 1.921 1.00 0.00 N ATOM 76 CA THR A 6 -5.243 12.668 2.331 1.00 0.00 C ATOM 77 C THR A 6 -3.729 12.527 2.120 1.00 0.00 C ATOM 78 O THR A 6 -3.142 13.239 1.329 1.00 0.00 O ATOM 79 CB THR A 6 -5.526 12.926 3.810 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.256 11.685 4.452 1.00 0.00 O ATOM 81 CG2 THR A 6 -7.009 13.194 4.062 1.00 0.00 C ATOM 0 H THR A 6 -6.059 10.721 2.649 1.00 0.00 H new ATOM 0 HA THR A 6 -5.596 13.499 1.721 1.00 0.00 H new ATOM 0 HB THR A 6 -4.940 13.777 4.156 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.415 11.773 5.415 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.171 13.373 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.322 14.071 3.495 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.594 12.330 3.746 1.00 0.00 H new ATOM 89 N LYS A 7 -3.133 11.612 2.831 1.00 0.00 N ATOM 90 CA LYS A 7 -1.656 11.423 2.695 1.00 0.00 C ATOM 91 C LYS A 7 -1.332 10.649 1.387 1.00 0.00 C ATOM 92 O LYS A 7 -2.127 9.846 0.942 1.00 0.00 O ATOM 93 CB LYS A 7 -1.156 10.616 3.899 1.00 0.00 C ATOM 94 CG LYS A 7 -1.968 11.004 5.137 1.00 0.00 C ATOM 95 CD LYS A 7 -1.303 10.407 6.379 1.00 0.00 C ATOM 96 CE LYS A 7 -0.298 11.413 6.945 1.00 0.00 C ATOM 97 NZ LYS A 7 -0.998 12.455 7.749 1.00 0.00 N ATOM 0 H LYS A 7 -3.596 10.991 3.495 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.165 12.396 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.256 9.548 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.097 10.811 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.024 12.089 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.991 10.638 5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.056 10.166 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.798 9.475 6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.432 10.895 7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.253 11.883 6.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.402 13.305 7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.900 12.698 7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.181 12.091 8.706 1.00 0.00 H new ATOM 111 N PRO A 8 -0.160 10.904 0.789 1.00 0.00 N ATOM 112 CA PRO A 8 0.231 10.202 -0.444 1.00 0.00 C ATOM 113 C PRO A 8 0.310 8.689 -0.199 1.00 0.00 C ATOM 114 O PRO A 8 0.146 8.234 0.915 1.00 0.00 O ATOM 115 CB PRO A 8 1.614 10.755 -0.807 1.00 0.00 C ATOM 116 CG PRO A 8 2.036 11.733 0.328 1.00 0.00 C ATOM 117 CD PRO A 8 0.831 11.884 1.276 1.00 0.00 C ATOM 0 HA PRO A 8 -0.493 10.358 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.337 9.946 -0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.581 11.271 -1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.902 11.346 0.866 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.323 12.700 -0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.113 11.681 2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.431 12.898 1.248 1.00 0.00 H new ATOM 125 N ASN A 9 0.573 7.947 -1.242 1.00 0.00 N ATOM 126 CA ASN A 9 0.660 6.460 -1.090 1.00 0.00 C ATOM 127 C ASN A 9 -0.654 5.915 -0.513 1.00 0.00 C ATOM 128 O ASN A 9 -1.472 5.384 -1.240 1.00 0.00 O ATOM 129 CB ASN A 9 1.833 6.109 -0.163 1.00 0.00 C ATOM 130 CG ASN A 9 3.044 6.979 -0.511 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.785 6.695 -1.432 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.287 8.040 0.208 1.00 0.00 N ATOM 0 H ASN A 9 0.731 8.300 -2.186 1.00 0.00 H new ATOM 0 HA ASN A 9 0.827 6.005 -2.066 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.547 6.266 0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.089 5.055 -0.267 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.095 8.626 -0.004 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.669 8.284 0.982 1.00 0.00 H new ATOM 139 N GLU A 10 -0.833 6.052 0.774 1.00 0.00 N ATOM 140 CA GLU A 10 -2.098 5.553 1.380 1.00 0.00 C ATOM 141 C GLU A 10 -3.282 6.090 0.580 1.00 0.00 C ATOM 142 O GLU A 10 -3.735 7.194 0.812 1.00 0.00 O ATOM 143 CB GLU A 10 -2.192 6.044 2.825 1.00 0.00 C ATOM 144 CG GLU A 10 -1.046 5.436 3.637 1.00 0.00 C ATOM 145 CD GLU A 10 -1.347 5.592 5.128 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.164 6.449 5.429 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.744 4.848 5.884 1.00 0.00 O ATOM 0 H GLU A 10 -0.170 6.480 1.421 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.112 4.463 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.139 7.132 2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.151 5.759 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.926 4.382 3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.107 5.931 3.390 1.00 0.00 H new ATOM 154 N GLN A 11 -3.757 5.293 -0.344 1.00 0.00 N ATOM 155 CA GLN A 11 -4.904 5.737 -1.191 1.00 0.00 C ATOM 156 C GLN A 11 -6.085 4.790 -1.007 1.00 0.00 C ATOM 157 O GLN A 11 -5.930 3.686 -0.528 1.00 0.00 O ATOM 158 CB GLN A 11 -4.473 5.739 -2.657 1.00 0.00 C ATOM 159 CG GLN A 11 -5.188 6.878 -3.388 1.00 0.00 C ATOM 160 CD GLN A 11 -4.961 6.736 -4.894 1.00 0.00 C ATOM 161 OE1 GLN A 11 -4.485 7.641 -5.550 1.00 0.00 O ATOM 162 NE2 GLN A 11 -5.287 5.617 -5.480 1.00 0.00 N ATOM 0 H GLN A 11 -3.402 4.359 -0.547 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.206 6.741 -0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.393 5.864 -2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.716 4.783 -3.122 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.255 6.854 -3.166 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.812 7.840 -3.041 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.687 4.853 -4.935 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.142 5.506 -6.483 1.00 0.00 H new ATOM 171 N TRP A 12 -7.235 5.239 -1.396 1.00 0.00 N ATOM 172 CA TRP A 12 -8.440 4.386 -1.241 1.00 0.00 C ATOM 173 C TRP A 12 -8.258 3.047 -1.938 1.00 0.00 C ATOM 174 O TRP A 12 -7.728 2.977 -3.030 1.00 0.00 O ATOM 175 CB TRP A 12 -9.632 5.085 -1.865 1.00 0.00 C ATOM 176 CG TRP A 12 -10.837 4.145 -1.810 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.274 3.412 -2.832 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.600 3.981 -0.759 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.364 2.800 -2.335 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.639 3.112 -1.023 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.466 4.537 0.495 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.550 2.808 -0.036 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.372 4.231 1.485 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.416 3.367 1.220 1.00 0.00 C ATOM 0 H TRP A 12 -7.397 6.156 -1.813 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.599 4.217 -0.176 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.850 6.010 -1.331 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.412 5.357 -2.897 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.854 3.329 -3.823 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.938 2.159 -2.884 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.650 5.213 0.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.368 2.134 -0.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.266 4.666 2.468 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.129 3.128 1.996 1.00 0.00 H new ATOM 195 N THR A 13 -8.702 2.008 -1.291 1.00 0.00 N ATOM 196 CA THR A 13 -8.600 0.667 -1.917 1.00 0.00 C ATOM 197 C THR A 13 -9.836 -0.164 -1.559 1.00 0.00 C ATOM 198 O THR A 13 -10.074 -0.465 -0.409 1.00 0.00 O ATOM 199 CB THR A 13 -7.333 -0.045 -1.427 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.609 -1.431 -1.592 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.117 0.146 0.072 1.00 0.00 C ATOM 0 H THR A 13 -9.127 2.030 -0.364 1.00 0.00 H new ATOM 0 HA THR A 13 -8.545 0.781 -3.000 1.00 0.00 H new ATOM 0 HB THR A 13 -6.466 0.335 -1.967 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.788 -1.947 -1.451 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.209 -0.374 0.378 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.018 1.209 0.293 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.969 -0.260 0.617 1.00 0.00 H new ATOM 209 N LYS A 14 -10.604 -0.506 -2.555 1.00 0.00 N ATOM 210 CA LYS A 14 -11.826 -1.311 -2.285 1.00 0.00 C ATOM 211 C LYS A 14 -11.444 -2.637 -1.618 1.00 0.00 C ATOM 212 O LYS A 14 -12.152 -3.124 -0.759 1.00 0.00 O ATOM 213 CB LYS A 14 -12.546 -1.578 -3.603 1.00 0.00 C ATOM 214 CG LYS A 14 -12.900 -0.242 -4.260 1.00 0.00 C ATOM 215 CD LYS A 14 -14.249 -0.376 -4.966 1.00 0.00 C ATOM 216 CE LYS A 14 -14.537 0.909 -5.747 1.00 0.00 C ATOM 217 NZ LYS A 14 -15.950 0.925 -6.218 1.00 0.00 N ATOM 0 H LYS A 14 -10.441 -0.266 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.485 -0.761 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.911 -2.166 -4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.450 -2.161 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.945 0.547 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.128 0.042 -4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.236 -1.231 -5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.038 -0.557 -4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.348 1.776 -5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.862 0.983 -6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.130 1.803 -6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.119 0.107 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.589 0.876 -5.399 1.00 0.00 H new ATOM 231 N CYS A 15 -10.332 -3.190 -2.035 1.00 0.00 N ATOM 232 CA CYS A 15 -9.869 -4.481 -1.436 1.00 0.00 C ATOM 233 C CYS A 15 -8.481 -4.295 -0.818 1.00 0.00 C ATOM 234 O CYS A 15 -7.479 -4.367 -1.500 1.00 0.00 O ATOM 235 CB CYS A 15 -9.803 -5.549 -2.528 1.00 0.00 C ATOM 236 SG CYS A 15 -8.406 -6.702 -2.478 1.00 0.00 S ATOM 0 H CYS A 15 -9.727 -2.806 -2.761 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.568 -4.793 -0.660 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.723 -6.132 -2.486 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.789 -5.044 -3.494 1.00 0.00 H new ATOM 241 N GLY A 16 -8.453 -4.052 0.462 1.00 0.00 N ATOM 242 CA GLY A 16 -7.143 -3.857 1.139 1.00 0.00 C ATOM 243 C GLY A 16 -6.427 -5.196 1.310 1.00 0.00 C ATOM 244 O GLY A 16 -6.739 -6.157 0.634 1.00 0.00 O ATOM 0 H GLY A 16 -9.273 -3.981 1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.522 -3.177 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.295 -3.392 2.113 1.00 0.00 H new ATOM 248 N GLY A 17 -5.483 -5.226 2.217 1.00 0.00 N ATOM 249 CA GLY A 17 -4.724 -6.490 2.461 1.00 0.00 C ATOM 250 C GLY A 17 -3.220 -6.222 2.401 1.00 0.00 C ATOM 251 O GLY A 17 -2.734 -5.268 2.974 1.00 0.00 O ATOM 0 H GLY A 17 -5.206 -4.434 2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.989 -6.900 3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.998 -7.237 1.716 1.00 0.00 H new ATOM 255 N CYS A 18 -2.516 -7.072 1.706 1.00 0.00 N ATOM 256 CA CYS A 18 -1.040 -6.882 1.596 1.00 0.00 C ATOM 257 C CYS A 18 -0.701 -6.160 0.290 1.00 0.00 C ATOM 258 O CYS A 18 -1.558 -5.949 -0.546 1.00 0.00 O ATOM 259 CB CYS A 18 -0.360 -8.247 1.615 1.00 0.00 C ATOM 260 SG CYS A 18 -1.179 -9.566 2.542 1.00 0.00 S ATOM 0 H CYS A 18 -2.892 -7.882 1.214 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.688 -6.280 2.434 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.244 -8.581 0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.642 -8.119 2.024 1.00 0.00 H new ATOM 265 N GLU A 19 0.543 -5.798 0.141 1.00 0.00 N ATOM 266 CA GLU A 19 0.951 -5.088 -1.102 1.00 0.00 C ATOM 267 C GLU A 19 2.396 -5.462 -1.474 1.00 0.00 C ATOM 268 O GLU A 19 2.848 -6.550 -1.178 1.00 0.00 O ATOM 269 CB GLU A 19 0.824 -3.572 -0.877 1.00 0.00 C ATOM 270 CG GLU A 19 1.625 -3.162 0.367 1.00 0.00 C ATOM 271 CD GLU A 19 0.761 -3.367 1.616 1.00 0.00 C ATOM 272 OE1 GLU A 19 0.814 -4.468 2.137 1.00 0.00 O ATOM 273 OE2 GLU A 19 0.098 -2.409 1.979 1.00 0.00 O ATOM 0 H GLU A 19 1.288 -5.961 0.819 1.00 0.00 H new ATOM 0 HA GLU A 19 0.302 -5.384 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.191 -3.033 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.224 -3.300 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.536 -3.756 0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.931 -2.119 0.289 1.00 0.00 H new ATOM 280 N GLY A 20 3.089 -4.557 -2.110 1.00 0.00 N ATOM 281 CA GLY A 20 4.494 -4.857 -2.505 1.00 0.00 C ATOM 282 C GLY A 20 5.481 -4.323 -1.468 1.00 0.00 C ATOM 283 O GLY A 20 5.119 -3.561 -0.590 1.00 0.00 O ATOM 0 H GLY A 20 2.747 -3.632 -2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.623 -5.934 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.705 -4.411 -3.477 1.00 0.00 H new ATOM 287 N THR A 21 6.711 -4.743 -1.597 1.00 0.00 N ATOM 288 CA THR A 21 7.761 -4.274 -0.650 1.00 0.00 C ATOM 289 C THR A 21 8.987 -3.831 -1.448 1.00 0.00 C ATOM 290 O THR A 21 9.024 -3.971 -2.653 1.00 0.00 O ATOM 291 CB THR A 21 8.144 -5.421 0.288 1.00 0.00 C ATOM 292 OG1 THR A 21 8.569 -6.469 -0.575 1.00 0.00 O ATOM 293 CG2 THR A 21 6.926 -5.973 1.025 1.00 0.00 C ATOM 0 H THR A 21 7.033 -5.390 -2.317 1.00 0.00 H new ATOM 0 HA THR A 21 7.385 -3.437 -0.061 1.00 0.00 H new ATOM 0 HB THR A 21 8.882 -5.078 1.013 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.982 -7.182 -0.045 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.236 -6.786 1.682 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.470 -5.181 1.618 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.202 -6.347 0.302 1.00 0.00 H new ATOM 301 N CYS A 22 9.966 -3.306 -0.770 1.00 0.00 N ATOM 302 CA CYS A 22 11.183 -2.861 -1.499 1.00 0.00 C ATOM 303 C CYS A 22 11.988 -4.084 -1.935 1.00 0.00 C ATOM 304 O CYS A 22 13.115 -3.970 -2.375 1.00 0.00 O ATOM 305 CB CYS A 22 12.027 -1.980 -0.583 1.00 0.00 C ATOM 306 SG CYS A 22 13.216 -0.869 -1.364 1.00 0.00 S ATOM 0 H CYS A 22 9.978 -3.167 0.240 1.00 0.00 H new ATOM 0 HA CYS A 22 10.896 -2.289 -2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.350 -1.377 0.022 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.572 -2.630 0.101 1.00 0.00 H new ATOM 311 N ALA A 23 11.381 -5.233 -1.796 1.00 0.00 N ATOM 312 CA ALA A 23 12.080 -6.490 -2.191 1.00 0.00 C ATOM 313 C ALA A 23 11.099 -7.474 -2.856 1.00 0.00 C ATOM 314 O ALA A 23 11.503 -8.499 -3.367 1.00 0.00 O ATOM 315 CB ALA A 23 12.672 -7.133 -0.940 1.00 0.00 C ATOM 0 H ALA A 23 10.437 -5.355 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 23 12.867 -6.252 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.187 -8.054 -1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.380 -6.445 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.873 -7.360 -0.234 1.00 0.00 H new ATOM 321 N GLN A 24 9.831 -7.142 -2.835 1.00 0.00 N ATOM 322 CA GLN A 24 8.825 -8.054 -3.456 1.00 0.00 C ATOM 323 C GLN A 24 7.623 -7.247 -3.953 1.00 0.00 C ATOM 324 O GLN A 24 6.678 -7.023 -3.222 1.00 0.00 O ATOM 325 CB GLN A 24 8.357 -9.080 -2.419 1.00 0.00 C ATOM 326 CG GLN A 24 9.489 -10.073 -2.134 1.00 0.00 C ATOM 327 CD GLN A 24 8.938 -11.243 -1.317 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.649 -12.166 -0.976 1.00 0.00 O ATOM 329 NE2 GLN A 24 7.676 -11.242 -0.983 1.00 0.00 N ATOM 0 H GLN A 24 9.454 -6.290 -2.420 1.00 0.00 H new ATOM 0 HA GLN A 24 9.283 -8.569 -4.300 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.062 -8.575 -1.499 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.478 -9.610 -2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.915 -10.436 -3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.293 -9.579 -1.588 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.074 -10.469 -1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.292 -12.014 -0.438 1.00 0.00 H new ATOM 338 N LYS A 25 7.695 -6.824 -5.185 1.00 0.00 N ATOM 339 CA LYS A 25 6.571 -6.025 -5.766 1.00 0.00 C ATOM 340 C LYS A 25 5.215 -6.612 -5.334 1.00 0.00 C ATOM 341 O LYS A 25 4.249 -5.892 -5.184 1.00 0.00 O ATOM 342 CB LYS A 25 6.693 -6.050 -7.297 1.00 0.00 C ATOM 343 CG LYS A 25 6.129 -4.747 -7.893 1.00 0.00 C ATOM 344 CD LYS A 25 4.619 -4.661 -7.624 1.00 0.00 C ATOM 345 CE LYS A 25 3.935 -3.943 -8.793 1.00 0.00 C ATOM 346 NZ LYS A 25 2.462 -3.894 -8.581 1.00 0.00 N ATOM 0 H LYS A 25 8.479 -6.994 -5.815 1.00 0.00 H new ATOM 0 HA LYS A 25 6.626 -4.998 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.738 -6.169 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.152 -6.907 -7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.635 -3.887 -7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.319 -4.715 -8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.202 -5.661 -7.503 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.434 -4.124 -6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.329 -2.931 -8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.158 -4.460 -9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.976 -4.050 -9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.183 -4.635 -7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.197 -2.963 -8.201 1.00 0.00 H new ATOM 360 N ILE A 26 5.171 -7.909 -5.158 1.00 0.00 N ATOM 361 CA ILE A 26 3.895 -8.550 -4.718 1.00 0.00 C ATOM 362 C ILE A 26 4.183 -9.605 -3.647 1.00 0.00 C ATOM 363 O ILE A 26 4.672 -10.678 -3.939 1.00 0.00 O ATOM 364 CB ILE A 26 3.229 -9.204 -5.926 1.00 0.00 C ATOM 365 CG1 ILE A 26 3.117 -8.161 -7.043 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.824 -9.692 -5.541 1.00 0.00 C ATOM 367 CD1 ILE A 26 2.170 -8.670 -8.128 1.00 0.00 C ATOM 0 H ILE A 26 5.955 -8.546 -5.298 1.00 0.00 H new ATOM 0 HA ILE A 26 3.231 -7.796 -4.295 1.00 0.00 H new ATOM 0 HB ILE A 26 3.822 -10.055 -6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.749 -7.218 -6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.101 -7.963 -7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.351 -10.158 -6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.900 -10.419 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.222 -8.845 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.092 -7.926 -8.921 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.557 -9.602 -8.541 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.184 -8.846 -7.697 1.00 0.00 H new ATOM 379 N VAL A 27 3.870 -9.272 -2.426 1.00 0.00 N ATOM 380 CA VAL A 27 4.113 -10.235 -1.316 1.00 0.00 C ATOM 381 C VAL A 27 2.995 -11.320 -1.309 1.00 0.00 C ATOM 382 O VAL A 27 1.830 -10.987 -1.415 1.00 0.00 O ATOM 383 CB VAL A 27 4.075 -9.462 0.003 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.649 -8.966 0.252 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.493 -10.385 1.148 1.00 0.00 C ATOM 0 H VAL A 27 3.459 -8.380 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 27 5.080 -10.721 -1.446 1.00 0.00 H new ATOM 0 HB VAL A 27 4.759 -8.615 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.615 -8.414 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.343 -8.312 -0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.972 -9.818 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.466 -9.834 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.807 -11.230 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.505 -10.750 0.970 1.00 0.00 H new ATOM 395 N PRO A 28 3.354 -12.607 -1.183 1.00 0.00 N ATOM 396 CA PRO A 28 2.339 -13.673 -1.160 1.00 0.00 C ATOM 397 C PRO A 28 1.382 -13.485 0.023 1.00 0.00 C ATOM 398 O PRO A 28 1.778 -13.026 1.077 1.00 0.00 O ATOM 399 CB PRO A 28 3.122 -14.981 -1.004 1.00 0.00 C ATOM 400 CG PRO A 28 4.628 -14.609 -0.870 1.00 0.00 C ATOM 401 CD PRO A 28 4.747 -13.086 -1.061 1.00 0.00 C ATOM 0 HA PRO A 28 1.731 -13.666 -2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.782 -15.529 -0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.962 -15.629 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.010 -14.904 0.107 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.221 -15.137 -1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.252 -12.620 -0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.327 -12.844 -1.951 1.00 0.00 H new ATOM 409 N CYS A 29 0.145 -13.844 -0.175 1.00 0.00 N ATOM 410 CA CYS A 29 -0.845 -13.694 0.933 1.00 0.00 C ATOM 411 C CYS A 29 -2.112 -14.499 0.626 1.00 0.00 C ATOM 412 O CYS A 29 -2.854 -14.175 -0.282 1.00 0.00 O ATOM 413 CB CYS A 29 -1.197 -12.220 1.092 1.00 0.00 C ATOM 414 SG CYS A 29 -0.094 -11.213 2.113 1.00 0.00 S ATOM 0 H CYS A 29 -0.223 -14.231 -1.044 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.409 -14.071 1.858 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.239 -11.774 0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.200 -12.156 1.513 1.00 0.00 H new ATOM 419 N THR A 30 -2.334 -15.530 1.395 1.00 0.00 N ATOM 420 CA THR A 30 -3.545 -16.371 1.167 1.00 0.00 C ATOM 421 C THR A 30 -4.805 -15.615 1.604 1.00 0.00 C ATOM 422 O THR A 30 -5.911 -16.042 1.338 1.00 0.00 O ATOM 423 CB THR A 30 -3.416 -17.663 1.978 1.00 0.00 C ATOM 424 OG1 THR A 30 -2.822 -17.260 3.208 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.415 -18.626 1.343 1.00 0.00 C ATOM 0 H THR A 30 -1.735 -15.825 2.166 1.00 0.00 H new ATOM 0 HA THR A 30 -3.626 -16.605 0.105 1.00 0.00 H new ATOM 0 HB THR A 30 -4.387 -18.151 2.058 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.708 -18.042 3.788 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.349 -19.532 1.946 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.745 -18.883 0.337 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.435 -18.151 1.293 1.00 0.00 H new ATOM 433 N ARG A 31 -4.611 -14.509 2.269 1.00 0.00 N ATOM 434 CA ARG A 31 -5.788 -13.715 2.729 1.00 0.00 C ATOM 435 C ARG A 31 -6.717 -13.422 1.548 1.00 0.00 C ATOM 436 O ARG A 31 -6.514 -13.924 0.461 1.00 0.00 O ATOM 437 CB ARG A 31 -5.299 -12.400 3.335 1.00 0.00 C ATOM 438 CG ARG A 31 -4.839 -12.649 4.772 1.00 0.00 C ATOM 439 CD ARG A 31 -4.315 -11.340 5.364 1.00 0.00 C ATOM 440 NE ARG A 31 -2.938 -11.093 4.848 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.116 -10.358 5.545 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.550 -9.243 6.065 1.00 0.00 N ATOM 443 NH2 ARG A 31 -0.885 -10.764 5.698 1.00 0.00 N ATOM 0 H ARG A 31 -3.699 -14.123 2.512 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.338 -14.285 3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.478 -11.996 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.098 -11.659 3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.667 -13.028 5.371 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.058 -13.409 4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.973 -10.514 5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.305 -11.396 6.453 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.642 -11.495 3.959 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.519 -8.958 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.920 -8.657 6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.581 -11.642 5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.227 -10.204 6.239 1.00 0.00 H new ATOM 457 N GLU A 32 -7.718 -12.608 1.790 1.00 0.00 N ATOM 458 CA GLU A 32 -8.679 -12.266 0.698 1.00 0.00 C ATOM 459 C GLU A 32 -8.575 -10.779 0.350 1.00 0.00 C ATOM 460 O GLU A 32 -7.941 -10.408 -0.616 1.00 0.00 O ATOM 461 CB GLU A 32 -10.099 -12.576 1.170 1.00 0.00 C ATOM 462 CG GLU A 32 -10.227 -14.082 1.417 1.00 0.00 C ATOM 463 CD GLU A 32 -10.982 -14.723 0.250 1.00 0.00 C ATOM 464 OE1 GLU A 32 -10.375 -14.809 -0.804 1.00 0.00 O ATOM 465 OE2 GLU A 32 -12.123 -15.089 0.481 1.00 0.00 O ATOM 0 H GLU A 32 -7.909 -12.169 2.691 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.441 -12.855 -0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.320 -12.025 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.823 -12.255 0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.239 -14.531 1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.756 -14.265 2.352 1.00 0.00 H new ATOM 472 N CYS A 33 -9.197 -9.961 1.154 1.00 0.00 N ATOM 473 CA CYS A 33 -9.155 -8.490 0.887 1.00 0.00 C ATOM 474 C CYS A 33 -9.735 -7.719 2.080 1.00 0.00 C ATOM 475 O CYS A 33 -10.893 -7.872 2.413 1.00 0.00 O ATOM 476 CB CYS A 33 -9.991 -8.181 -0.359 1.00 0.00 C ATOM 477 SG CYS A 33 -9.235 -8.477 -1.978 1.00 0.00 S ATOM 0 H CYS A 33 -9.729 -10.241 1.978 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.120 -8.186 0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.906 -8.771 -0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.285 -7.132 -0.313 1.00 0.00 H new ATOM 482 N LYS A 34 -8.920 -6.907 2.699 1.00 0.00 N ATOM 483 CA LYS A 34 -9.427 -6.118 3.863 1.00 0.00 C ATOM 484 C LYS A 34 -10.570 -5.192 3.386 1.00 0.00 C ATOM 485 O LYS A 34 -10.657 -4.881 2.213 1.00 0.00 O ATOM 486 CB LYS A 34 -8.279 -5.279 4.427 1.00 0.00 C ATOM 487 CG LYS A 34 -7.686 -5.990 5.646 1.00 0.00 C ATOM 488 CD LYS A 34 -6.527 -5.157 6.198 1.00 0.00 C ATOM 489 CE LYS A 34 -6.143 -5.688 7.581 1.00 0.00 C ATOM 490 NZ LYS A 34 -4.661 -5.711 7.736 1.00 0.00 N ATOM 0 H LYS A 34 -7.941 -6.756 2.456 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.805 -6.786 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.511 -5.134 3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.640 -4.290 4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.450 -6.124 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.335 -6.984 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.672 -5.210 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.816 -4.108 6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.586 -5.060 8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.545 -6.692 7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.416 -6.074 8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.245 -6.328 7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.286 -4.747 7.628 1.00 0.00 H new ATOM 504 N PRO A 35 -11.429 -4.761 4.300 1.00 0.00 N ATOM 505 CA PRO A 35 -12.547 -3.881 3.932 1.00 0.00 C ATOM 506 C PRO A 35 -12.028 -2.601 3.231 1.00 0.00 C ATOM 507 O PRO A 35 -10.860 -2.278 3.316 1.00 0.00 O ATOM 508 CB PRO A 35 -13.234 -3.525 5.256 1.00 0.00 C ATOM 509 CG PRO A 35 -12.466 -4.263 6.394 1.00 0.00 C ATOM 510 CD PRO A 35 -11.360 -5.106 5.732 1.00 0.00 C ATOM 0 HA PRO A 35 -13.230 -4.366 3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.218 -2.447 5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.280 -3.830 5.239 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.036 -3.547 7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.143 -4.898 6.965 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.381 -4.871 6.149 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.526 -6.171 5.891 1.00 0.00 H new ATOM 518 N PRO A 36 -12.922 -1.897 2.547 1.00 0.00 N ATOM 519 CA PRO A 36 -12.559 -0.653 1.844 1.00 0.00 C ATOM 520 C PRO A 36 -11.998 0.394 2.813 1.00 0.00 C ATOM 521 O PRO A 36 -12.622 0.720 3.803 1.00 0.00 O ATOM 522 CB PRO A 36 -13.866 -0.138 1.238 1.00 0.00 C ATOM 523 CG PRO A 36 -14.993 -1.138 1.630 1.00 0.00 C ATOM 524 CD PRO A 36 -14.338 -2.287 2.413 1.00 0.00 C ATOM 0 HA PRO A 36 -11.788 -0.838 1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.094 0.861 1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.782 -0.062 0.154 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.751 -0.643 2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.495 -1.518 0.740 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.806 -2.417 3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.438 -3.234 1.883 1.00 0.00 H new ATOM 532 N ARG A 37 -10.835 0.906 2.499 1.00 0.00 N ATOM 533 CA ARG A 37 -10.220 1.943 3.391 1.00 0.00 C ATOM 534 C ARG A 37 -8.920 2.471 2.774 1.00 0.00 C ATOM 535 O ARG A 37 -8.358 1.860 1.890 1.00 0.00 O ATOM 536 CB ARG A 37 -9.901 1.322 4.760 1.00 0.00 C ATOM 537 CG ARG A 37 -9.945 2.414 5.835 1.00 0.00 C ATOM 538 CD ARG A 37 -11.400 2.696 6.228 1.00 0.00 C ATOM 539 NE ARG A 37 -11.596 4.170 6.318 1.00 0.00 N ATOM 540 CZ ARG A 37 -12.376 4.659 7.241 1.00 0.00 C ATOM 541 NH1 ARG A 37 -11.923 4.765 8.460 1.00 0.00 N ATOM 542 NH2 ARG A 37 -13.586 5.028 6.916 1.00 0.00 N ATOM 0 H ARG A 37 -10.288 0.657 1.675 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.926 2.765 3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.621 0.537 4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.916 0.855 4.740 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.377 2.099 6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.476 3.324 5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.080 2.269 5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.631 2.226 7.184 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.123 4.792 5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.972 4.467 8.678 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.520 5.145 9.195 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.907 4.931 5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.210 5.413 7.625 1.00 0.00 H new ATOM 556 N CYS A 38 -8.484 3.612 3.240 1.00 0.00 N ATOM 557 CA CYS A 38 -7.203 4.178 2.715 1.00 0.00 C ATOM 558 C CYS A 38 -6.054 3.213 3.032 1.00 0.00 C ATOM 559 O CYS A 38 -5.905 2.781 4.158 1.00 0.00 O ATOM 560 CB CYS A 38 -6.938 5.528 3.388 1.00 0.00 C ATOM 561 SG CYS A 38 -7.837 6.967 2.756 1.00 0.00 S ATOM 0 H CYS A 38 -8.952 4.172 3.953 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.274 4.315 1.636 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.169 5.426 4.448 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.871 5.738 3.312 1.00 0.00 H new ATOM 566 N GLU A 39 -5.263 2.892 2.040 1.00 0.00 N ATOM 567 CA GLU A 39 -4.135 1.944 2.299 1.00 0.00 C ATOM 568 C GLU A 39 -3.127 1.955 1.144 1.00 0.00 C ATOM 569 O GLU A 39 -3.232 2.744 0.230 1.00 0.00 O ATOM 570 CB GLU A 39 -4.701 0.535 2.464 1.00 0.00 C ATOM 571 CG GLU A 39 -4.223 -0.046 3.795 1.00 0.00 C ATOM 572 CD GLU A 39 -4.777 -1.461 3.958 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.529 -2.247 3.059 1.00 0.00 O ATOM 574 OE2 GLU A 39 -5.421 -1.677 4.972 1.00 0.00 O ATOM 0 H GLU A 39 -5.344 3.235 1.083 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.617 2.256 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.790 0.562 2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.376 -0.099 1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.134 -0.064 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.555 0.584 4.620 1.00 0.00 H new ATOM 581 N CYS A 40 -2.172 1.066 1.218 1.00 0.00 N ATOM 582 CA CYS A 40 -1.134 1.000 0.147 1.00 0.00 C ATOM 583 C CYS A 40 -1.710 0.370 -1.125 1.00 0.00 C ATOM 584 O CYS A 40 -2.739 -0.278 -1.089 1.00 0.00 O ATOM 585 CB CYS A 40 0.034 0.152 0.641 1.00 0.00 C ATOM 586 SG CYS A 40 1.704 0.715 0.235 1.00 0.00 S ATOM 0 H CYS A 40 -2.066 0.385 1.970 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.799 2.011 -0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.041 0.075 1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.088 -0.855 0.241 1.00 0.00 H new ATOM 591 N ILE A 41 -1.022 0.570 -2.221 1.00 0.00 N ATOM 592 CA ILE A 41 -1.500 -0.008 -3.516 1.00 0.00 C ATOM 593 C ILE A 41 -0.320 -0.603 -4.290 1.00 0.00 C ATOM 594 O ILE A 41 0.544 0.114 -4.755 1.00 0.00 O ATOM 595 CB ILE A 41 -2.145 1.098 -4.357 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.233 1.795 -3.535 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.766 0.479 -5.611 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.646 3.059 -2.897 1.00 0.00 C ATOM 0 H ILE A 41 -0.155 1.105 -2.276 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.229 -0.792 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.389 1.828 -4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.079 2.053 -4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.609 1.124 -2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.227 1.262 -6.213 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.990 -0.018 -6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.524 -0.248 -5.321 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.415 3.561 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.814 2.786 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.291 3.730 -3.679 1.00 0.00 H new ATOM 610 N ALA A 42 -0.308 -1.901 -4.416 1.00 0.00 N ATOM 611 CA ALA A 42 0.809 -2.550 -5.162 1.00 0.00 C ATOM 612 C ALA A 42 0.633 -2.323 -6.666 1.00 0.00 C ATOM 613 O ALA A 42 1.576 -2.012 -7.364 1.00 0.00 O ATOM 614 CB ALA A 42 0.806 -4.053 -4.872 1.00 0.00 C ATOM 0 H ALA A 42 -1.013 -2.535 -4.040 1.00 0.00 H new ATOM 0 HA ALA A 42 1.755 -2.114 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.621 -4.530 -5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.938 -4.217 -3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.143 -4.483 -5.191 1.00 0.00 H new ATOM 620 N SER A 43 -0.578 -2.468 -7.125 1.00 0.00 N ATOM 621 CA SER A 43 -0.841 -2.278 -8.583 1.00 0.00 C ATOM 622 C SER A 43 -0.303 -0.925 -9.052 1.00 0.00 C ATOM 623 O SER A 43 -0.289 -0.639 -10.234 1.00 0.00 O ATOM 624 CB SER A 43 -2.347 -2.344 -8.832 1.00 0.00 C ATOM 625 OG SER A 43 -2.731 -0.986 -8.999 1.00 0.00 O ATOM 0 H SER A 43 -1.393 -2.708 -6.561 1.00 0.00 H new ATOM 0 HA SER A 43 -0.336 -3.066 -9.142 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.579 -2.936 -9.718 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.870 -2.806 -7.994 1.00 0.00 H new ATOM 0 HG SER A 43 -3.695 -0.937 -9.167 1.00 0.00 H new ATOM 631 N ALA A 44 0.129 -0.119 -8.115 1.00 0.00 N ATOM 632 CA ALA A 44 0.671 1.222 -8.493 1.00 0.00 C ATOM 633 C ALA A 44 2.197 1.205 -8.421 1.00 0.00 C ATOM 634 O ALA A 44 2.869 1.653 -9.330 1.00 0.00 O ATOM 635 CB ALA A 44 0.134 2.270 -7.524 1.00 0.00 C ATOM 0 H ALA A 44 0.130 -0.327 -7.117 1.00 0.00 H new ATOM 0 HA ALA A 44 0.362 1.462 -9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.526 3.250 -7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.955 2.288 -7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.446 2.022 -6.510 1.00 0.00 H new ATOM 641 N GLY A 45 2.709 0.682 -7.336 1.00 0.00 N ATOM 642 CA GLY A 45 4.193 0.617 -7.171 1.00 0.00 C ATOM 643 C GLY A 45 4.607 1.126 -5.788 1.00 0.00 C ATOM 644 O GLY A 45 5.724 1.566 -5.597 1.00 0.00 O ATOM 0 H GLY A 45 2.167 0.299 -6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.534 -0.410 -7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.676 1.215 -7.944 1.00 0.00 H new ATOM 648 N PHE A 46 3.701 1.059 -4.850 1.00 0.00 N ATOM 649 CA PHE A 46 4.041 1.534 -3.472 1.00 0.00 C ATOM 650 C PHE A 46 4.580 0.369 -2.634 1.00 0.00 C ATOM 651 O PHE A 46 4.011 -0.706 -2.626 1.00 0.00 O ATOM 652 CB PHE A 46 2.788 2.102 -2.809 1.00 0.00 C ATOM 653 CG PHE A 46 2.369 3.393 -3.522 1.00 0.00 C ATOM 654 CD1 PHE A 46 3.022 4.587 -3.261 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.333 3.381 -4.433 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.637 5.747 -3.906 1.00 0.00 C ATOM 657 CE2 PHE A 46 0.950 4.543 -5.075 1.00 0.00 C ATOM 658 CZ PHE A 46 1.603 5.723 -4.811 1.00 0.00 C ATOM 0 H PHE A 46 2.753 0.702 -4.972 1.00 0.00 H new ATOM 0 HA PHE A 46 4.805 2.308 -3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.979 1.372 -2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.981 2.303 -1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.835 4.611 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.817 2.456 -4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.150 6.675 -3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.137 4.524 -5.785 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.304 6.631 -5.314 1.00 0.00 H new ATOM 668 N VAL A 47 5.671 0.611 -1.944 1.00 0.00 N ATOM 669 CA VAL A 47 6.275 -0.470 -1.097 1.00 0.00 C ATOM 670 C VAL A 47 6.224 -0.088 0.379 1.00 0.00 C ATOM 671 O VAL A 47 6.064 1.068 0.718 1.00 0.00 O ATOM 672 CB VAL A 47 7.731 -0.665 -1.502 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.792 -1.101 -2.960 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.481 0.656 -1.339 1.00 0.00 C ATOM 0 H VAL A 47 6.166 1.503 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 47 5.709 -1.389 -1.247 1.00 0.00 H new ATOM 0 HB VAL A 47 8.189 -1.427 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.832 -1.242 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.250 -2.039 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.338 -0.335 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.523 0.521 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.024 1.415 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.432 0.976 -0.298 1.00 0.00 H new ATOM 684 N ARG A 48 6.364 -1.069 1.230 1.00 0.00 N ATOM 685 CA ARG A 48 6.340 -0.777 2.690 1.00 0.00 C ATOM 686 C ARG A 48 7.770 -0.655 3.229 1.00 0.00 C ATOM 687 O ARG A 48 8.540 -1.592 3.165 1.00 0.00 O ATOM 688 CB ARG A 48 5.625 -1.909 3.425 1.00 0.00 C ATOM 689 CG ARG A 48 4.549 -2.505 2.520 1.00 0.00 C ATOM 690 CD ARG A 48 3.643 -3.412 3.356 1.00 0.00 C ATOM 691 NE ARG A 48 4.491 -4.264 4.238 1.00 0.00 N ATOM 692 CZ ARG A 48 4.059 -5.442 4.603 1.00 0.00 C ATOM 693 NH1 ARG A 48 3.433 -6.183 3.730 1.00 0.00 N ATOM 694 NH2 ARG A 48 4.270 -5.839 5.828 1.00 0.00 N ATOM 0 H ARG A 48 6.493 -2.049 0.980 1.00 0.00 H new ATOM 0 HA ARG A 48 5.813 0.163 2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.341 -2.679 3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.175 -1.533 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.963 -1.711 2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.009 -3.074 1.712 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.960 -2.811 3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.031 -4.036 2.705 1.00 0.00 H new ATOM 0 HE ARG A 48 5.401 -3.930 4.554 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.288 -5.840 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.089 -7.105 3.997 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.765 -5.233 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.940 -6.755 6.131 1.00 0.00 H new ATOM 708 N ASP A 49 8.091 0.497 3.749 1.00 0.00 N ATOM 709 CA ASP A 49 9.461 0.688 4.302 1.00 0.00 C ATOM 710 C ASP A 49 9.599 -0.096 5.605 1.00 0.00 C ATOM 711 O ASP A 49 8.625 -0.327 6.293 1.00 0.00 O ATOM 712 CB ASP A 49 9.693 2.170 4.575 1.00 0.00 C ATOM 713 CG ASP A 49 11.196 2.450 4.587 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.790 2.172 5.615 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.668 2.926 3.568 1.00 0.00 O ATOM 0 H ASP A 49 7.473 1.306 3.815 1.00 0.00 H new ATOM 0 HA ASP A 49 10.197 0.329 3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.205 2.774 3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.251 2.449 5.532 1.00 0.00 H new ATOM 720 N ALA A 50 10.809 -0.475 5.920 1.00 0.00 N ATOM 721 CA ALA A 50 11.038 -1.258 7.169 1.00 0.00 C ATOM 722 C ALA A 50 10.302 -0.617 8.343 1.00 0.00 C ATOM 723 O ALA A 50 9.928 -1.285 9.286 1.00 0.00 O ATOM 724 CB ALA A 50 12.536 -1.295 7.466 1.00 0.00 C ATOM 0 H ALA A 50 11.645 -0.278 5.370 1.00 0.00 H new ATOM 0 HA ALA A 50 10.659 -2.270 7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.712 -1.866 8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.060 -1.768 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.906 -0.278 7.597 1.00 0.00 H new ATOM 730 N GLN A 51 10.108 0.667 8.263 1.00 0.00 N ATOM 731 CA GLN A 51 9.396 1.369 9.371 1.00 0.00 C ATOM 732 C GLN A 51 7.889 1.174 9.223 1.00 0.00 C ATOM 733 O GLN A 51 7.106 1.878 9.827 1.00 0.00 O ATOM 734 CB GLN A 51 9.729 2.859 9.316 1.00 0.00 C ATOM 735 CG GLN A 51 11.097 3.091 9.959 1.00 0.00 C ATOM 736 CD GLN A 51 12.158 2.298 9.194 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.407 2.534 8.029 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.805 1.346 9.812 1.00 0.00 N ATOM 0 H GLN A 51 10.407 1.259 7.488 1.00 0.00 H new ATOM 0 HA GLN A 51 9.715 0.957 10.328 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.736 3.205 8.282 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.965 3.434 9.839 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.342 4.153 9.947 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.078 2.780 11.004 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.601 1.143 10.790 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.514 0.806 9.316 1.00 0.00 H new ATOM 747 N GLY A 52 7.517 0.206 8.435 1.00 0.00 N ATOM 748 CA GLY A 52 6.069 -0.042 8.216 1.00 0.00 C ATOM 749 C GLY A 52 5.415 1.197 7.602 1.00 0.00 C ATOM 750 O GLY A 52 4.300 1.540 7.939 1.00 0.00 O ATOM 0 H GLY A 52 8.149 -0.420 7.936 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.934 -0.900 7.557 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.586 -0.288 9.162 1.00 0.00 H new ATOM 754 N ASN A 53 6.133 1.844 6.709 1.00 0.00 N ATOM 755 CA ASN A 53 5.572 3.080 6.059 1.00 0.00 C ATOM 756 C ASN A 53 5.362 2.855 4.559 1.00 0.00 C ATOM 757 O ASN A 53 6.297 2.587 3.833 1.00 0.00 O ATOM 758 CB ASN A 53 6.547 4.241 6.260 1.00 0.00 C ATOM 759 CG ASN A 53 6.442 4.748 7.694 1.00 0.00 C ATOM 760 OD1 ASN A 53 6.339 5.934 7.942 1.00 0.00 O ATOM 761 ND2 ASN A 53 6.466 3.888 8.668 1.00 0.00 N ATOM 0 H ASN A 53 7.069 1.576 6.405 1.00 0.00 H new ATOM 0 HA ASN A 53 4.610 3.310 6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.566 3.915 6.052 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.321 5.046 5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.399 4.209 9.634 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.552 2.892 8.467 1.00 0.00 H new ATOM 768 N CYS A 54 4.139 2.979 4.127 1.00 0.00 N ATOM 769 CA CYS A 54 3.851 2.778 2.676 1.00 0.00 C ATOM 770 C CYS A 54 4.362 3.977 1.867 1.00 0.00 C ATOM 771 O CYS A 54 3.852 5.074 1.989 1.00 0.00 O ATOM 772 CB CYS A 54 2.342 2.635 2.484 1.00 0.00 C ATOM 773 SG CYS A 54 1.714 2.655 0.788 1.00 0.00 S ATOM 0 H CYS A 54 3.332 3.208 4.707 1.00 0.00 H new ATOM 0 HA CYS A 54 4.356 1.877 2.327 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.031 1.699 2.948 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.855 3.440 3.033 1.00 0.00 H new ATOM 778 N ILE A 55 5.363 3.740 1.059 1.00 0.00 N ATOM 779 CA ILE A 55 5.927 4.853 0.237 1.00 0.00 C ATOM 780 C ILE A 55 6.286 4.351 -1.168 1.00 0.00 C ATOM 781 O ILE A 55 6.443 3.169 -1.385 1.00 0.00 O ATOM 782 CB ILE A 55 7.187 5.389 0.924 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.201 4.247 1.077 1.00 0.00 C ATOM 784 CG2 ILE A 55 6.817 5.923 2.308 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.419 4.754 1.853 1.00 0.00 C ATOM 0 H ILE A 55 5.811 2.832 0.933 1.00 0.00 H new ATOM 0 HA ILE A 55 5.183 5.644 0.146 1.00 0.00 H new ATOM 0 HB ILE A 55 7.621 6.190 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.745 3.408 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.506 3.882 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.711 6.306 2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.087 6.726 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.389 5.118 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.142 3.946 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.878 5.580 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.105 5.098 2.839 1.00 0.00 H new ATOM 797 N LYS A 56 6.404 5.267 -2.092 1.00 0.00 N ATOM 798 CA LYS A 56 6.752 4.865 -3.490 1.00 0.00 C ATOM 799 C LYS A 56 7.919 3.867 -3.491 1.00 0.00 C ATOM 800 O LYS A 56 8.622 3.727 -2.511 1.00 0.00 O ATOM 801 CB LYS A 56 7.155 6.109 -4.283 1.00 0.00 C ATOM 802 CG LYS A 56 6.412 7.327 -3.730 1.00 0.00 C ATOM 803 CD LYS A 56 6.297 8.386 -4.828 1.00 0.00 C ATOM 804 CE LYS A 56 5.589 9.620 -4.264 1.00 0.00 C ATOM 805 NZ LYS A 56 5.530 10.701 -5.289 1.00 0.00 N ATOM 0 H LYS A 56 6.276 6.268 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 56 5.883 4.390 -3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.232 6.264 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.919 5.973 -5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.420 7.037 -3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.944 7.733 -2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.287 8.656 -5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.740 7.988 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.580 9.355 -3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.117 9.977 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.047 11.531 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.496 10.965 -5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.007 10.362 -6.121 1.00 0.00 H new ATOM 819 N PHE A 57 8.096 3.199 -4.601 1.00 0.00 N ATOM 820 CA PHE A 57 9.213 2.210 -4.697 1.00 0.00 C ATOM 821 C PHE A 57 10.559 2.935 -4.790 1.00 0.00 C ATOM 822 O PHE A 57 11.511 2.570 -4.128 1.00 0.00 O ATOM 823 CB PHE A 57 9.012 1.358 -5.950 1.00 0.00 C ATOM 824 CG PHE A 57 9.393 -0.095 -5.653 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.654 -0.407 -5.174 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.481 -1.117 -5.864 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.995 -1.718 -4.911 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.826 -2.427 -5.598 1.00 0.00 C ATOM 829 CZ PHE A 57 10.083 -2.727 -5.122 1.00 0.00 C ATOM 0 H PHE A 57 7.522 3.293 -5.439 1.00 0.00 H new ATOM 0 HA PHE A 57 9.213 1.580 -3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.973 1.412 -6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.622 1.745 -6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.374 0.380 -5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.495 -0.887 -6.239 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.981 -1.953 -4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.109 -3.218 -5.763 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.353 -3.752 -4.915 1.00 0.00 H new ATOM 839 N GLU A 58 10.608 3.948 -5.611 1.00 0.00 N ATOM 840 CA GLU A 58 11.885 4.705 -5.766 1.00 0.00 C ATOM 841 C GLU A 58 12.173 5.537 -4.511 1.00 0.00 C ATOM 842 O GLU A 58 13.215 6.153 -4.400 1.00 0.00 O ATOM 843 CB GLU A 58 11.776 5.629 -6.977 1.00 0.00 C ATOM 844 CG GLU A 58 12.057 4.823 -8.246 1.00 0.00 C ATOM 845 CD GLU A 58 11.702 5.668 -9.473 1.00 0.00 C ATOM 846 OE1 GLU A 58 10.526 5.685 -9.793 1.00 0.00 O ATOM 847 OE2 GLU A 58 12.626 6.246 -10.018 1.00 0.00 O ATOM 0 H GLU A 58 9.828 4.283 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 58 12.702 3.997 -5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.781 6.071 -7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.486 6.451 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.107 4.534 -8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.473 3.903 -8.243 1.00 0.00 H new ATOM 854 N ASP A 59 11.245 5.538 -3.594 1.00 0.00 N ATOM 855 CA ASP A 59 11.462 6.327 -2.344 1.00 0.00 C ATOM 856 C ASP A 59 12.299 5.516 -1.351 1.00 0.00 C ATOM 857 O ASP A 59 12.556 5.953 -0.248 1.00 0.00 O ATOM 858 CB ASP A 59 10.109 6.663 -1.720 1.00 0.00 C ATOM 859 CG ASP A 59 9.520 7.887 -2.424 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.766 7.997 -3.614 1.00 0.00 O ATOM 861 OD2 ASP A 59 8.857 8.642 -1.732 1.00 0.00 O ATOM 0 H ASP A 59 10.359 5.036 -3.651 1.00 0.00 H new ATOM 0 HA ASP A 59 11.994 7.247 -2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.431 5.814 -1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.226 6.863 -0.655 1.00 0.00 H new ATOM 866 N CYS A 60 12.707 4.350 -1.770 1.00 0.00 N ATOM 867 CA CYS A 60 13.530 3.493 -0.869 1.00 0.00 C ATOM 868 C CYS A 60 14.933 4.127 -0.686 1.00 0.00 C ATOM 869 O CYS A 60 15.391 4.852 -1.547 1.00 0.00 O ATOM 870 CB CYS A 60 13.668 2.113 -1.512 1.00 0.00 C ATOM 871 SG CYS A 60 12.330 0.937 -1.226 1.00 0.00 S ATOM 0 H CYS A 60 12.509 3.955 -2.689 1.00 0.00 H new ATOM 0 HA CYS A 60 13.053 3.406 0.107 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.774 2.250 -2.588 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.595 1.664 -1.155 1.00 0.00 H new