USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=6 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= 0.0907 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -2.68 K(o=-2.7,f=-3.4!) USER MOD Single : A 11 GLN : amide:sc= -1.12! K(o=-1.1!,f=0) USER MOD Single : A 13 THR OG1 : rot -116:sc= 0.0761 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.471 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.009 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= -0.0726 X(o=-0.073,f=0) USER MOD Single : A 53 ASN : amide:sc= -4.71! K(o=-4.7!,f=-1.4) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 0.0636 (180deg=-0.225) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -8.364 9.931 -0.230 1.00 0.00 N ATOM 66 CA CYS A 5 -7.593 9.964 1.047 1.00 0.00 C ATOM 67 C CYS A 5 -6.889 11.316 1.199 1.00 0.00 C ATOM 68 O CYS A 5 -7.236 12.274 0.539 1.00 0.00 O ATOM 69 CB CYS A 5 -6.562 8.837 1.040 1.00 0.00 C ATOM 70 SG CYS A 5 -7.187 7.143 0.874 1.00 0.00 S ATOM 0 HA CYS A 5 -8.275 9.829 1.887 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.865 9.022 0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.990 8.897 1.966 1.00 0.00 H new ATOM 75 N THR A 6 -5.914 11.361 2.065 1.00 0.00 N ATOM 76 CA THR A 6 -5.186 12.647 2.289 1.00 0.00 C ATOM 77 C THR A 6 -3.840 12.675 1.544 1.00 0.00 C ATOM 78 O THR A 6 -3.775 13.041 0.386 1.00 0.00 O ATOM 79 CB THR A 6 -4.932 12.810 3.789 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.826 11.479 4.285 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.138 13.413 4.501 1.00 0.00 C ATOM 0 H THR A 6 -5.590 10.572 2.624 1.00 0.00 H new ATOM 0 HA THR A 6 -5.800 13.462 1.905 1.00 0.00 H new ATOM 0 HB THR A 6 -4.062 13.446 3.952 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.659 11.502 5.250 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.920 13.513 5.564 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.355 14.395 4.081 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.002 12.762 4.368 1.00 0.00 H new ATOM 89 N LYS A 7 -2.800 12.286 2.230 1.00 0.00 N ATOM 90 CA LYS A 7 -1.438 12.310 1.600 1.00 0.00 C ATOM 91 C LYS A 7 -1.273 11.153 0.585 1.00 0.00 C ATOM 92 O LYS A 7 -2.044 10.215 0.585 1.00 0.00 O ATOM 93 CB LYS A 7 -0.377 12.178 2.704 1.00 0.00 C ATOM 94 CG LYS A 7 -1.060 11.956 4.059 1.00 0.00 C ATOM 95 CD LYS A 7 0.010 11.817 5.144 1.00 0.00 C ATOM 96 CE LYS A 7 -0.099 13.000 6.110 1.00 0.00 C ATOM 97 NZ LYS A 7 0.948 12.911 7.166 1.00 0.00 N ATOM 0 H LYS A 7 -2.828 11.954 3.194 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.315 13.252 1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.290 11.345 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.238 13.078 2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.721 12.792 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.679 11.060 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.121 10.878 5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.002 11.790 4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.008 13.936 5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.087 13.012 6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.859 13.721 7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.828 12.027 7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.889 12.923 6.724 1.00 0.00 H new ATOM 111 N PRO A 8 -0.252 11.254 -0.271 1.00 0.00 N ATOM 112 CA PRO A 8 0.021 10.213 -1.276 1.00 0.00 C ATOM 113 C PRO A 8 0.187 8.839 -0.614 1.00 0.00 C ATOM 114 O PRO A 8 -0.012 8.695 0.575 1.00 0.00 O ATOM 115 CB PRO A 8 1.323 10.640 -1.963 1.00 0.00 C ATOM 116 CG PRO A 8 1.752 12.003 -1.342 1.00 0.00 C ATOM 117 CD PRO A 8 0.690 12.392 -0.298 1.00 0.00 C ATOM 0 HA PRO A 8 -0.801 10.117 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.099 9.889 -1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.175 10.738 -3.039 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.734 11.920 -0.877 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.829 12.769 -2.114 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.140 12.556 0.681 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.184 13.317 -0.575 1.00 0.00 H new ATOM 125 N ASN A 9 0.551 7.860 -1.405 1.00 0.00 N ATOM 126 CA ASN A 9 0.723 6.484 -0.847 1.00 0.00 C ATOM 127 C ASN A 9 -0.599 6.020 -0.233 1.00 0.00 C ATOM 128 O ASN A 9 -1.327 5.255 -0.837 1.00 0.00 O ATOM 129 CB ASN A 9 1.831 6.493 0.210 1.00 0.00 C ATOM 130 CG ASN A 9 3.039 7.267 -0.333 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.898 6.716 -1.002 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.143 8.541 -0.072 1.00 0.00 N ATOM 0 H ASN A 9 0.735 7.953 -2.404 1.00 0.00 H new ATOM 0 HA ASN A 9 1.006 5.794 -1.642 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.470 6.956 1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.120 5.472 0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.939 9.071 -0.427 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.428 9.007 0.487 1.00 0.00 H new ATOM 139 N GLU A 10 -0.893 6.483 0.952 1.00 0.00 N ATOM 140 CA GLU A 10 -2.185 6.086 1.575 1.00 0.00 C ATOM 141 C GLU A 10 -3.322 6.549 0.664 1.00 0.00 C ATOM 142 O GLU A 10 -3.726 7.694 0.711 1.00 0.00 O ATOM 143 CB GLU A 10 -2.315 6.754 2.943 1.00 0.00 C ATOM 144 CG GLU A 10 -1.005 6.583 3.716 1.00 0.00 C ATOM 145 CD GLU A 10 -1.220 6.997 5.174 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.239 6.588 5.707 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.356 7.700 5.669 1.00 0.00 O ATOM 0 H GLU A 10 -0.306 7.107 1.506 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.227 5.004 1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.544 7.813 2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.140 6.310 3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.672 5.546 3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.221 7.191 3.265 1.00 0.00 H new ATOM 154 N GLN A 11 -3.812 5.644 -0.150 1.00 0.00 N ATOM 155 CA GLN A 11 -4.903 6.016 -1.101 1.00 0.00 C ATOM 156 C GLN A 11 -6.087 5.079 -0.938 1.00 0.00 C ATOM 157 O GLN A 11 -6.011 4.096 -0.236 1.00 0.00 O ATOM 158 CB GLN A 11 -4.379 5.899 -2.526 1.00 0.00 C ATOM 159 CG GLN A 11 -4.966 7.033 -3.371 1.00 0.00 C ATOM 160 CD GLN A 11 -4.716 6.741 -4.852 1.00 0.00 C ATOM 161 OE1 GLN A 11 -5.300 7.353 -5.724 1.00 0.00 O ATOM 162 NE2 GLN A 11 -3.856 5.817 -5.178 1.00 0.00 N ATOM 0 H GLN A 11 -3.506 4.672 -0.196 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.222 7.037 -0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.290 5.951 -2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.654 4.933 -2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.035 7.127 -3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.509 7.983 -3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.363 5.300 -4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.676 5.611 -6.161 1.00 0.00 H new ATOM 171 N TRP A 12 -7.157 5.394 -1.596 1.00 0.00 N ATOM 172 CA TRP A 12 -8.346 4.522 -1.488 1.00 0.00 C ATOM 173 C TRP A 12 -8.121 3.226 -2.241 1.00 0.00 C ATOM 174 O TRP A 12 -7.645 3.229 -3.358 1.00 0.00 O ATOM 175 CB TRP A 12 -9.546 5.220 -2.096 1.00 0.00 C ATOM 176 CG TRP A 12 -10.717 4.229 -2.138 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.070 3.517 -3.206 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.529 3.997 -1.134 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.157 2.841 -2.790 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.514 3.097 -1.488 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.489 4.506 0.146 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.465 2.719 -0.568 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.437 4.123 1.071 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.427 3.230 0.713 1.00 0.00 C ATOM 0 H TRP A 12 -7.260 6.210 -2.199 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.521 4.310 -0.433 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.813 6.097 -1.506 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.311 5.571 -3.101 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.596 3.489 -4.176 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.671 2.195 -3.389 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.715 5.205 0.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.241 2.022 -0.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.405 4.521 2.074 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.172 2.931 1.436 1.00 0.00 H new ATOM 195 N THR A 13 -8.464 2.144 -1.615 1.00 0.00 N ATOM 196 CA THR A 13 -8.308 0.839 -2.294 1.00 0.00 C ATOM 197 C THR A 13 -9.471 -0.070 -1.908 1.00 0.00 C ATOM 198 O THR A 13 -9.667 -0.387 -0.752 1.00 0.00 O ATOM 199 CB THR A 13 -6.973 0.204 -1.894 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.794 -0.873 -2.808 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.047 -0.445 -0.519 1.00 0.00 C ATOM 0 H THR A 13 -8.843 2.106 -0.669 1.00 0.00 H new ATOM 0 HA THR A 13 -8.312 0.981 -3.375 1.00 0.00 H new ATOM 0 HB THR A 13 -6.189 0.962 -1.894 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.798 -1.722 -2.318 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.081 -0.884 -0.271 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.305 0.308 0.225 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.809 -1.225 -0.525 1.00 0.00 H new ATOM 209 N LYS A 14 -10.228 -0.456 -2.890 1.00 0.00 N ATOM 210 CA LYS A 14 -11.395 -1.326 -2.611 1.00 0.00 C ATOM 211 C LYS A 14 -10.940 -2.674 -2.030 1.00 0.00 C ATOM 212 O LYS A 14 -11.751 -3.463 -1.587 1.00 0.00 O ATOM 213 CB LYS A 14 -12.164 -1.544 -3.905 1.00 0.00 C ATOM 214 CG LYS A 14 -12.676 -0.186 -4.409 1.00 0.00 C ATOM 215 CD LYS A 14 -13.866 -0.398 -5.346 1.00 0.00 C ATOM 216 CE LYS A 14 -15.076 -0.932 -4.562 1.00 0.00 C ATOM 217 NZ LYS A 14 -16.336 -0.320 -5.071 1.00 0.00 N ATOM 0 H LYS A 14 -10.090 -0.208 -3.870 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.038 -0.843 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.521 -2.007 -4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.999 -2.224 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.972 0.438 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.879 0.343 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.126 0.542 -5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.596 -1.101 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.128 -2.017 -4.655 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.958 -0.708 -3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.144 -0.690 -4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.290 0.713 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.454 -0.555 -6.077 1.00 0.00 H new ATOM 231 N CYS A 15 -9.650 -2.909 -2.039 1.00 0.00 N ATOM 232 CA CYS A 15 -9.138 -4.198 -1.483 1.00 0.00 C ATOM 233 C CYS A 15 -7.785 -3.997 -0.784 1.00 0.00 C ATOM 234 O CYS A 15 -6.776 -3.789 -1.427 1.00 0.00 O ATOM 235 CB CYS A 15 -8.959 -5.196 -2.622 1.00 0.00 C ATOM 236 SG CYS A 15 -7.612 -6.397 -2.460 1.00 0.00 S ATOM 0 H CYS A 15 -8.939 -2.274 -2.402 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.858 -4.570 -0.754 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.892 -5.747 -2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.803 -4.634 -3.543 1.00 0.00 H new ATOM 241 N GLY A 16 -7.797 -4.060 0.521 1.00 0.00 N ATOM 242 CA GLY A 16 -6.520 -3.900 1.275 1.00 0.00 C ATOM 243 C GLY A 16 -5.926 -5.282 1.582 1.00 0.00 C ATOM 244 O GLY A 16 -6.056 -6.196 0.792 1.00 0.00 O ATOM 0 H GLY A 16 -8.627 -4.214 1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.813 -3.311 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.699 -3.356 2.202 1.00 0.00 H new ATOM 248 N GLY A 17 -5.293 -5.404 2.723 1.00 0.00 N ATOM 249 CA GLY A 17 -4.691 -6.724 3.099 1.00 0.00 C ATOM 250 C GLY A 17 -3.165 -6.664 3.032 1.00 0.00 C ATOM 251 O GLY A 17 -2.549 -5.802 3.628 1.00 0.00 O ATOM 0 H GLY A 17 -5.167 -4.656 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.005 -6.998 4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.059 -7.501 2.428 1.00 0.00 H new ATOM 255 N CYS A 18 -2.588 -7.582 2.307 1.00 0.00 N ATOM 256 CA CYS A 18 -1.102 -7.599 2.196 1.00 0.00 C ATOM 257 C CYS A 18 -0.646 -6.638 1.097 1.00 0.00 C ATOM 258 O CYS A 18 -1.449 -6.141 0.331 1.00 0.00 O ATOM 259 CB CYS A 18 -0.641 -9.015 1.848 1.00 0.00 C ATOM 260 SG CYS A 18 -1.664 -10.392 2.428 1.00 0.00 S ATOM 0 H CYS A 18 -3.075 -8.315 1.791 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.669 -7.287 3.146 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.564 -9.087 0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.364 -9.150 2.249 1.00 0.00 H new ATOM 265 N GLU A 19 0.634 -6.395 1.047 1.00 0.00 N ATOM 266 CA GLU A 19 1.170 -5.469 0.009 1.00 0.00 C ATOM 267 C GLU A 19 2.490 -6.009 -0.545 1.00 0.00 C ATOM 268 O GLU A 19 2.711 -7.206 -0.564 1.00 0.00 O ATOM 269 CB GLU A 19 1.401 -4.095 0.636 1.00 0.00 C ATOM 270 CG GLU A 19 1.090 -3.010 -0.396 1.00 0.00 C ATOM 271 CD GLU A 19 -0.425 -2.915 -0.589 1.00 0.00 C ATOM 272 OE1 GLU A 19 -1.078 -2.617 0.398 1.00 0.00 O ATOM 273 OE2 GLU A 19 -0.844 -3.146 -1.710 1.00 0.00 O ATOM 0 H GLU A 19 1.330 -6.795 1.676 1.00 0.00 H new ATOM 0 HA GLU A 19 0.452 -5.387 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.766 -3.971 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.433 -4.006 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.487 -2.051 -0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.575 -3.244 -1.344 1.00 0.00 H new ATOM 280 N GLY A 20 3.337 -5.111 -0.984 1.00 0.00 N ATOM 281 CA GLY A 20 4.654 -5.540 -1.543 1.00 0.00 C ATOM 282 C GLY A 20 5.799 -4.908 -0.755 1.00 0.00 C ATOM 283 O GLY A 20 5.607 -4.409 0.337 1.00 0.00 O ATOM 0 H GLY A 20 3.174 -4.104 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.735 -6.626 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.723 -5.251 -2.592 1.00 0.00 H new ATOM 287 N THR A 21 6.968 -4.941 -1.326 1.00 0.00 N ATOM 288 CA THR A 21 8.142 -4.346 -0.626 1.00 0.00 C ATOM 289 C THR A 21 9.163 -3.850 -1.650 1.00 0.00 C ATOM 290 O THR A 21 8.900 -3.840 -2.836 1.00 0.00 O ATOM 291 CB THR A 21 8.790 -5.405 0.271 1.00 0.00 C ATOM 292 OG1 THR A 21 8.953 -6.541 -0.568 1.00 0.00 O ATOM 293 CG2 THR A 21 7.841 -5.856 1.381 1.00 0.00 C ATOM 0 H THR A 21 7.163 -5.350 -2.240 1.00 0.00 H new ATOM 0 HA THR A 21 7.809 -3.505 -0.018 1.00 0.00 H new ATOM 0 HB THR A 21 9.704 -5.009 0.713 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.368 -7.267 -0.058 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.334 -6.607 1.998 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.571 -5.000 1.999 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.941 -6.283 0.939 1.00 0.00 H new ATOM 301 N CYS A 22 10.309 -3.453 -1.174 1.00 0.00 N ATOM 302 CA CYS A 22 11.350 -2.959 -2.114 1.00 0.00 C ATOM 303 C CYS A 22 11.985 -4.142 -2.847 1.00 0.00 C ATOM 304 O CYS A 22 12.944 -3.983 -3.577 1.00 0.00 O ATOM 305 CB CYS A 22 12.420 -2.206 -1.330 1.00 0.00 C ATOM 306 SG CYS A 22 13.242 -0.831 -2.162 1.00 0.00 S ATOM 0 H CYS A 22 10.568 -3.449 -0.187 1.00 0.00 H new ATOM 0 HA CYS A 22 10.894 -2.290 -2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.963 -1.823 -0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.184 -2.923 -1.028 1.00 0.00 H new ATOM 311 N ALA A 23 11.431 -5.306 -2.631 1.00 0.00 N ATOM 312 CA ALA A 23 11.985 -6.520 -3.299 1.00 0.00 C ATOM 313 C ALA A 23 10.856 -7.468 -3.733 1.00 0.00 C ATOM 314 O ALA A 23 11.104 -8.483 -4.355 1.00 0.00 O ATOM 315 CB ALA A 23 12.902 -7.242 -2.314 1.00 0.00 C ATOM 0 H ALA A 23 10.626 -5.468 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 23 12.539 -6.217 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.315 -8.133 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.714 -6.578 -2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.332 -7.532 -1.431 1.00 0.00 H new ATOM 321 N GLN A 24 9.639 -7.120 -3.400 1.00 0.00 N ATOM 322 CA GLN A 24 8.491 -7.997 -3.789 1.00 0.00 C ATOM 323 C GLN A 24 7.252 -7.142 -4.068 1.00 0.00 C ATOM 324 O GLN A 24 6.436 -6.925 -3.194 1.00 0.00 O ATOM 325 CB GLN A 24 8.190 -8.973 -2.649 1.00 0.00 C ATOM 326 CG GLN A 24 9.237 -10.088 -2.646 1.00 0.00 C ATOM 327 CD GLN A 24 8.927 -11.067 -1.512 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.201 -10.804 -0.357 1.00 0.00 O ATOM 329 NE2 GLN A 24 8.358 -12.206 -1.797 1.00 0.00 N ATOM 0 H GLN A 24 9.391 -6.277 -2.882 1.00 0.00 H new ATOM 0 HA GLN A 24 8.752 -8.552 -4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.199 -8.448 -1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.193 -9.396 -2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.233 -10.609 -3.603 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.234 -9.667 -2.516 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.126 -12.432 -2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.145 -12.870 -1.053 1.00 0.00 H new ATOM 338 N LYS A 25 7.139 -6.679 -5.280 1.00 0.00 N ATOM 339 CA LYS A 25 5.963 -5.834 -5.634 1.00 0.00 C ATOM 340 C LYS A 25 4.673 -6.449 -5.079 1.00 0.00 C ATOM 341 O LYS A 25 3.782 -5.741 -4.653 1.00 0.00 O ATOM 342 CB LYS A 25 5.861 -5.730 -7.154 1.00 0.00 C ATOM 343 CG LYS A 25 4.875 -4.612 -7.513 1.00 0.00 C ATOM 344 CD LYS A 25 5.641 -3.304 -7.738 1.00 0.00 C ATOM 345 CE LYS A 25 6.109 -3.233 -9.194 1.00 0.00 C ATOM 346 NZ LYS A 25 6.893 -1.988 -9.429 1.00 0.00 N ATOM 0 H LYS A 25 7.803 -6.846 -6.036 1.00 0.00 H new ATOM 0 HA LYS A 25 6.094 -4.844 -5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.841 -5.520 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.525 -6.678 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.319 -4.879 -8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.146 -4.485 -6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.002 -2.451 -7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.498 -3.251 -7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.720 -4.105 -9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.247 -3.259 -9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.203 -1.955 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.299 -1.160 -9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.725 -1.979 -8.806 1.00 0.00 H new ATOM 360 N ILE A 26 4.596 -7.757 -5.110 1.00 0.00 N ATOM 361 CA ILE A 26 3.369 -8.437 -4.586 1.00 0.00 C ATOM 362 C ILE A 26 3.759 -9.641 -3.722 1.00 0.00 C ATOM 363 O ILE A 26 4.550 -10.469 -4.127 1.00 0.00 O ATOM 364 CB ILE A 26 2.514 -8.911 -5.765 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.061 -7.694 -6.585 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.282 -9.654 -5.230 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.342 -8.169 -7.848 1.00 0.00 C ATOM 0 H ILE A 26 5.320 -8.378 -5.471 1.00 0.00 H new ATOM 0 HA ILE A 26 2.803 -7.733 -3.976 1.00 0.00 H new ATOM 0 HB ILE A 26 3.098 -9.580 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.397 -7.068 -5.989 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.922 -7.081 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.670 -9.993 -6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.603 -10.514 -4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.697 -8.983 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.020 -7.305 -8.430 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.021 -8.777 -8.446 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.472 -8.763 -7.570 1.00 0.00 H new ATOM 379 N VAL A 27 3.186 -9.710 -2.550 1.00 0.00 N ATOM 380 CA VAL A 27 3.499 -10.850 -1.639 1.00 0.00 C ATOM 381 C VAL A 27 2.340 -11.888 -1.690 1.00 0.00 C ATOM 382 O VAL A 27 1.187 -11.508 -1.637 1.00 0.00 O ATOM 383 CB VAL A 27 3.621 -10.301 -0.213 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.251 -9.804 0.253 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.097 -11.408 0.727 1.00 0.00 C ATOM 0 H VAL A 27 2.518 -9.031 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 27 4.427 -11.333 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 27 4.339 -9.481 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.332 -9.412 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.904 -9.015 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.540 -10.630 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.182 -11.014 1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.379 -12.228 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.069 -11.773 0.396 1.00 0.00 H new ATOM 395 N PRO A 28 2.652 -13.186 -1.793 1.00 0.00 N ATOM 396 CA PRO A 28 1.596 -14.209 -1.834 1.00 0.00 C ATOM 397 C PRO A 28 0.717 -14.129 -0.580 1.00 0.00 C ATOM 398 O PRO A 28 1.186 -13.802 0.490 1.00 0.00 O ATOM 399 CB PRO A 28 2.328 -15.554 -1.886 1.00 0.00 C ATOM 400 CG PRO A 28 3.856 -15.254 -1.882 1.00 0.00 C ATOM 401 CD PRO A 28 4.028 -13.724 -1.880 1.00 0.00 C ATOM 0 HA PRO A 28 0.938 -14.071 -2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.056 -16.172 -1.030 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.048 -16.109 -2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.331 -15.694 -1.005 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.335 -15.692 -2.758 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.635 -13.396 -1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.530 -13.382 -2.785 1.00 0.00 H new ATOM 409 N CYS A 29 -0.542 -14.427 -0.744 1.00 0.00 N ATOM 410 CA CYS A 29 -1.465 -14.372 0.427 1.00 0.00 C ATOM 411 C CYS A 29 -2.765 -15.117 0.108 1.00 0.00 C ATOM 412 O CYS A 29 -3.475 -14.768 -0.814 1.00 0.00 O ATOM 413 CB CYS A 29 -1.779 -12.909 0.747 1.00 0.00 C ATOM 414 SG CYS A 29 -0.642 -12.039 1.856 1.00 0.00 S ATOM 0 H CYS A 29 -0.970 -14.704 -1.628 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.989 -14.846 1.285 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.820 -12.359 -0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.776 -12.866 1.185 1.00 0.00 H new ATOM 419 N THR A 30 -3.050 -16.133 0.880 1.00 0.00 N ATOM 420 CA THR A 30 -4.300 -16.911 0.634 1.00 0.00 C ATOM 421 C THR A 30 -5.527 -16.068 0.999 1.00 0.00 C ATOM 422 O THR A 30 -6.623 -16.340 0.553 1.00 0.00 O ATOM 423 CB THR A 30 -4.281 -18.181 1.488 1.00 0.00 C ATOM 424 OG1 THR A 30 -4.028 -17.724 2.813 1.00 0.00 O ATOM 425 CG2 THR A 30 -3.094 -19.076 1.135 1.00 0.00 C ATOM 0 H THR A 30 -2.479 -16.455 1.661 1.00 0.00 H new ATOM 0 HA THR A 30 -4.354 -17.176 -0.422 1.00 0.00 H new ATOM 0 HB THR A 30 -5.208 -18.737 1.349 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.003 -18.490 3.424 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.112 -19.968 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.157 -19.367 0.086 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.165 -18.532 1.306 1.00 0.00 H new ATOM 433 N ARG A 31 -5.314 -15.063 1.806 1.00 0.00 N ATOM 434 CA ARG A 31 -6.461 -14.193 2.205 1.00 0.00 C ATOM 435 C ARG A 31 -7.166 -13.662 0.954 1.00 0.00 C ATOM 436 O ARG A 31 -6.784 -13.984 -0.155 1.00 0.00 O ATOM 437 CB ARG A 31 -5.941 -13.021 3.043 1.00 0.00 C ATOM 438 CG ARG A 31 -5.291 -13.558 4.327 1.00 0.00 C ATOM 439 CD ARG A 31 -3.766 -13.475 4.199 1.00 0.00 C ATOM 440 NE ARG A 31 -3.337 -12.064 4.405 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.980 -11.671 5.596 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.041 -12.327 6.220 1.00 0.00 N ATOM 443 NH2 ARG A 31 -3.574 -10.636 6.124 1.00 0.00 N ATOM 0 H ARG A 31 -4.409 -14.808 2.202 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.171 -14.774 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.216 -12.444 2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.760 -12.346 3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.627 -12.979 5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.597 -14.590 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.291 -14.124 4.935 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.451 -13.824 3.216 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.323 -11.411 3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.600 -13.132 5.776 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.748 -12.035 7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.305 -10.148 5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.307 -10.315 7.055 1.00 0.00 H new ATOM 457 N GLU A 32 -8.178 -12.853 1.158 1.00 0.00 N ATOM 458 CA GLU A 32 -8.925 -12.295 -0.010 1.00 0.00 C ATOM 459 C GLU A 32 -8.614 -10.808 -0.181 1.00 0.00 C ATOM 460 O GLU A 32 -7.813 -10.433 -1.012 1.00 0.00 O ATOM 461 CB GLU A 32 -10.423 -12.473 0.226 1.00 0.00 C ATOM 462 CG GLU A 32 -10.834 -13.882 -0.205 1.00 0.00 C ATOM 463 CD GLU A 32 -12.270 -14.152 0.249 1.00 0.00 C ATOM 464 OE1 GLU A 32 -12.410 -14.532 1.400 1.00 0.00 O ATOM 465 OE2 GLU A 32 -13.145 -13.964 -0.579 1.00 0.00 O ATOM 0 H GLU A 32 -8.516 -12.558 2.074 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.621 -12.824 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.659 -12.318 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.984 -11.728 -0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.759 -13.980 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.159 -14.619 0.229 1.00 0.00 H new ATOM 472 N CYS A 33 -9.249 -9.996 0.617 1.00 0.00 N ATOM 473 CA CYS A 33 -9.012 -8.522 0.510 1.00 0.00 C ATOM 474 C CYS A 33 -9.719 -7.780 1.650 1.00 0.00 C ATOM 475 O CYS A 33 -10.912 -7.920 1.836 1.00 0.00 O ATOM 476 CB CYS A 33 -9.576 -8.020 -0.823 1.00 0.00 C ATOM 477 SG CYS A 33 -8.540 -8.185 -2.299 1.00 0.00 S ATOM 0 H CYS A 33 -9.916 -10.282 1.333 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.940 -8.334 0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.511 -8.548 -1.010 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.824 -6.965 -0.705 1.00 0.00 H new ATOM 482 N LYS A 34 -8.972 -7.005 2.390 1.00 0.00 N ATOM 483 CA LYS A 34 -9.603 -6.233 3.502 1.00 0.00 C ATOM 484 C LYS A 34 -10.723 -5.340 2.904 1.00 0.00 C ATOM 485 O LYS A 34 -10.651 -4.973 1.748 1.00 0.00 O ATOM 486 CB LYS A 34 -8.526 -5.353 4.152 1.00 0.00 C ATOM 487 CG LYS A 34 -7.611 -6.212 5.043 1.00 0.00 C ATOM 488 CD LYS A 34 -8.221 -6.371 6.443 1.00 0.00 C ATOM 489 CE LYS A 34 -7.785 -5.194 7.324 1.00 0.00 C ATOM 490 NZ LYS A 34 -8.422 -5.283 8.668 1.00 0.00 N ATOM 0 H LYS A 34 -7.967 -6.873 2.277 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.029 -6.902 4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.936 -4.858 3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.995 -4.570 4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.467 -7.192 4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.627 -5.748 5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.308 -6.407 6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.898 -7.312 6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.700 -5.193 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.060 -4.254 6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.116 -4.478 9.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.457 -5.261 8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.139 -6.172 9.128 1.00 0.00 H new ATOM 504 N PRO A 35 -11.741 -5.001 3.691 1.00 0.00 N ATOM 505 CA PRO A 35 -12.831 -4.160 3.182 1.00 0.00 C ATOM 506 C PRO A 35 -12.265 -2.841 2.605 1.00 0.00 C ATOM 507 O PRO A 35 -11.127 -2.496 2.848 1.00 0.00 O ATOM 508 CB PRO A 35 -13.734 -3.887 4.392 1.00 0.00 C ATOM 509 CG PRO A 35 -13.142 -4.674 5.600 1.00 0.00 C ATOM 510 CD PRO A 35 -11.880 -5.398 5.105 1.00 0.00 C ATOM 0 HA PRO A 35 -13.381 -4.644 2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.772 -2.820 4.610 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.756 -4.207 4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.899 -3.996 6.418 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.869 -5.390 5.985 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.004 -5.106 5.685 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.981 -6.479 5.203 1.00 0.00 H new ATOM 518 N PRO A 36 -13.084 -2.129 1.848 1.00 0.00 N ATOM 519 CA PRO A 36 -12.664 -0.855 1.236 1.00 0.00 C ATOM 520 C PRO A 36 -12.171 0.136 2.298 1.00 0.00 C ATOM 521 O PRO A 36 -12.854 0.395 3.268 1.00 0.00 O ATOM 522 CB PRO A 36 -13.922 -0.310 0.552 1.00 0.00 C ATOM 523 CG PRO A 36 -15.065 -1.341 0.774 1.00 0.00 C ATOM 524 CD PRO A 36 -14.474 -2.523 1.559 1.00 0.00 C ATOM 0 HA PRO A 36 -11.838 -1.000 0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.195 0.659 0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.744 -0.160 -0.513 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.889 -0.888 1.326 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.468 -1.678 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.032 -2.706 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.511 -3.443 0.975 1.00 0.00 H new ATOM 532 N ARG A 37 -10.998 0.678 2.079 1.00 0.00 N ATOM 533 CA ARG A 37 -10.444 1.660 3.066 1.00 0.00 C ATOM 534 C ARG A 37 -9.139 2.277 2.537 1.00 0.00 C ATOM 535 O ARG A 37 -8.525 1.753 1.630 1.00 0.00 O ATOM 536 CB ARG A 37 -10.156 0.935 4.388 1.00 0.00 C ATOM 537 CG ARG A 37 -10.024 1.962 5.519 1.00 0.00 C ATOM 538 CD ARG A 37 -9.918 1.224 6.856 1.00 0.00 C ATOM 539 NE ARG A 37 -11.282 0.796 7.283 1.00 0.00 N ATOM 540 CZ ARG A 37 -12.162 1.701 7.623 1.00 0.00 C ATOM 541 NH1 ARG A 37 -11.752 2.909 7.896 1.00 0.00 N ATOM 542 NH2 ARG A 37 -13.422 1.364 7.677 1.00 0.00 N ATOM 0 H ARG A 37 -10.406 0.487 1.271 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.174 2.455 3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.959 0.233 4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.239 0.353 4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.142 2.583 5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.887 2.628 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.265 0.357 6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.474 1.873 7.610 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.526 -0.194 7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.759 3.135 7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.425 3.628 8.163 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.704 0.409 7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.124 2.056 7.940 1.00 0.00 H new ATOM 556 N CYS A 38 -8.757 3.389 3.109 1.00 0.00 N ATOM 557 CA CYS A 38 -7.481 4.042 2.673 1.00 0.00 C ATOM 558 C CYS A 38 -6.288 3.166 3.080 1.00 0.00 C ATOM 559 O CYS A 38 -6.186 2.757 4.220 1.00 0.00 O ATOM 560 CB CYS A 38 -7.358 5.409 3.350 1.00 0.00 C ATOM 561 SG CYS A 38 -8.215 6.808 2.580 1.00 0.00 S ATOM 0 H CYS A 38 -9.265 3.871 3.851 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.487 4.165 1.590 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.725 5.312 4.372 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.299 5.658 3.414 1.00 0.00 H new ATOM 566 N GLU A 39 -5.406 2.901 2.148 1.00 0.00 N ATOM 567 CA GLU A 39 -4.226 2.042 2.487 1.00 0.00 C ATOM 568 C GLU A 39 -3.218 2.024 1.327 1.00 0.00 C ATOM 569 O GLU A 39 -3.479 2.551 0.265 1.00 0.00 O ATOM 570 CB GLU A 39 -4.713 0.616 2.766 1.00 0.00 C ATOM 571 CG GLU A 39 -3.539 -0.250 3.240 1.00 0.00 C ATOM 572 CD GLU A 39 -4.076 -1.405 4.089 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.405 -1.128 5.230 1.00 0.00 O ATOM 574 OE2 GLU A 39 -4.128 -2.496 3.547 1.00 0.00 O ATOM 0 H GLU A 39 -5.448 3.234 1.185 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.730 2.449 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.495 0.631 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.151 0.189 1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.989 -0.638 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.840 0.351 3.822 1.00 0.00 H new ATOM 581 N CYS A 40 -2.085 1.412 1.563 1.00 0.00 N ATOM 582 CA CYS A 40 -1.039 1.345 0.493 1.00 0.00 C ATOM 583 C CYS A 40 -1.580 0.624 -0.747 1.00 0.00 C ATOM 584 O CYS A 40 -2.581 -0.062 -0.683 1.00 0.00 O ATOM 585 CB CYS A 40 0.172 0.585 1.034 1.00 0.00 C ATOM 586 SG CYS A 40 1.775 0.924 0.272 1.00 0.00 S ATOM 0 H CYS A 40 -1.839 0.959 2.443 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.755 2.358 0.208 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.254 0.797 2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.029 -0.482 0.936 1.00 0.00 H new ATOM 591 N ILE A 41 -0.898 0.798 -1.854 1.00 0.00 N ATOM 592 CA ILE A 41 -1.352 0.139 -3.122 1.00 0.00 C ATOM 593 C ILE A 41 -0.151 -0.450 -3.875 1.00 0.00 C ATOM 594 O ILE A 41 0.662 0.274 -4.414 1.00 0.00 O ATOM 595 CB ILE A 41 -2.035 1.177 -4.015 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.131 1.894 -3.225 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.654 0.474 -5.224 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.569 3.206 -2.672 1.00 0.00 C ATOM 0 H ILE A 41 -0.053 1.363 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.049 -0.662 -2.873 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.299 1.907 -4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.989 2.093 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.483 1.262 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.142 1.210 -5.863 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.873 -0.035 -5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.389 -0.255 -4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.344 3.724 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.724 2.993 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.238 3.837 -3.497 1.00 0.00 H new ATOM 610 N ALA A 42 -0.065 -1.752 -3.900 1.00 0.00 N ATOM 611 CA ALA A 42 1.075 -2.394 -4.620 1.00 0.00 C ATOM 612 C ALA A 42 0.855 -2.317 -6.135 1.00 0.00 C ATOM 613 O ALA A 42 1.790 -2.147 -6.894 1.00 0.00 O ATOM 614 CB ALA A 42 1.173 -3.862 -4.198 1.00 0.00 C ATOM 0 H ALA A 42 -0.725 -2.393 -3.460 1.00 0.00 H new ATOM 0 HA ALA A 42 1.997 -1.870 -4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.004 -4.336 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.340 -3.921 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.245 -4.376 -4.450 1.00 0.00 H new ATOM 620 N SER A 43 -0.379 -2.437 -6.538 1.00 0.00 N ATOM 621 CA SER A 43 -0.688 -2.384 -7.998 1.00 0.00 C ATOM 622 C SER A 43 -0.221 -1.055 -8.606 1.00 0.00 C ATOM 623 O SER A 43 -0.124 -0.926 -9.810 1.00 0.00 O ATOM 624 CB SER A 43 -2.197 -2.528 -8.192 1.00 0.00 C ATOM 625 OG SER A 43 -2.478 -1.735 -9.335 1.00 0.00 O ATOM 0 H SER A 43 -1.184 -2.569 -5.926 1.00 0.00 H new ATOM 0 HA SER A 43 -0.163 -3.197 -8.500 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.481 -3.569 -8.350 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.746 -2.177 -7.319 1.00 0.00 H new ATOM 0 HG SER A 43 -3.437 -1.774 -9.532 1.00 0.00 H new ATOM 631 N ALA A 44 0.059 -0.096 -7.764 1.00 0.00 N ATOM 632 CA ALA A 44 0.516 1.226 -8.292 1.00 0.00 C ATOM 633 C ALA A 44 2.044 1.307 -8.281 1.00 0.00 C ATOM 634 O ALA A 44 2.643 1.847 -9.190 1.00 0.00 O ATOM 635 CB ALA A 44 -0.056 2.337 -7.419 1.00 0.00 C ATOM 0 H ALA A 44 -0.007 -0.166 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 44 0.167 1.339 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.274 3.304 -7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.145 2.291 -7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.294 2.211 -6.394 1.00 0.00 H new ATOM 641 N GLY A 45 2.642 0.766 -7.249 1.00 0.00 N ATOM 642 CA GLY A 45 4.135 0.801 -7.154 1.00 0.00 C ATOM 643 C GLY A 45 4.583 1.242 -5.758 1.00 0.00 C ATOM 644 O GLY A 45 5.713 1.650 -5.571 1.00 0.00 O ATOM 0 H GLY A 45 2.166 0.305 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.541 -0.186 -7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.535 1.486 -7.902 1.00 0.00 H new ATOM 648 N PHE A 46 3.695 1.152 -4.806 1.00 0.00 N ATOM 649 CA PHE A 46 4.067 1.565 -3.421 1.00 0.00 C ATOM 650 C PHE A 46 4.618 0.364 -2.643 1.00 0.00 C ATOM 651 O PHE A 46 4.143 -0.745 -2.795 1.00 0.00 O ATOM 652 CB PHE A 46 2.831 2.118 -2.716 1.00 0.00 C ATOM 653 CG PHE A 46 2.444 3.452 -3.357 1.00 0.00 C ATOM 654 CD1 PHE A 46 3.088 4.621 -2.989 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.446 3.509 -4.315 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.737 5.824 -3.567 1.00 0.00 C ATOM 657 CE2 PHE A 46 1.099 4.715 -4.892 1.00 0.00 C ATOM 658 CZ PHE A 46 1.746 5.870 -4.518 1.00 0.00 C ATOM 0 H PHE A 46 2.739 0.815 -4.923 1.00 0.00 H new ATOM 0 HA PHE A 46 4.838 2.334 -3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.006 1.410 -2.793 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.034 2.256 -1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.870 4.591 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.936 2.605 -4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.242 6.732 -3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.319 4.751 -5.638 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.475 6.812 -4.971 1.00 0.00 H new ATOM 668 N VAL A 47 5.616 0.615 -1.826 1.00 0.00 N ATOM 669 CA VAL A 47 6.231 -0.500 -1.032 1.00 0.00 C ATOM 670 C VAL A 47 6.240 -0.167 0.459 1.00 0.00 C ATOM 671 O VAL A 47 6.137 0.980 0.844 1.00 0.00 O ATOM 672 CB VAL A 47 7.667 -0.709 -1.500 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.655 -1.320 -2.896 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.390 0.638 -1.545 1.00 0.00 C ATOM 0 H VAL A 47 6.029 1.536 -1.675 1.00 0.00 H new ATOM 0 HA VAL A 47 5.641 -1.404 -1.185 1.00 0.00 H new ATOM 0 HB VAL A 47 8.183 -1.376 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.680 -1.472 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.136 -2.278 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.141 -0.648 -3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.417 0.489 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.876 1.304 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.394 1.082 -0.550 1.00 0.00 H new ATOM 684 N ARG A 48 6.365 -1.185 1.266 1.00 0.00 N ATOM 685 CA ARG A 48 6.393 -0.955 2.735 1.00 0.00 C ATOM 686 C ARG A 48 7.832 -0.713 3.202 1.00 0.00 C ATOM 687 O ARG A 48 8.716 -1.502 2.930 1.00 0.00 O ATOM 688 CB ARG A 48 5.832 -2.187 3.448 1.00 0.00 C ATOM 689 CG ARG A 48 4.398 -2.442 2.971 1.00 0.00 C ATOM 690 CD ARG A 48 3.419 -1.917 4.019 1.00 0.00 C ATOM 691 NE ARG A 48 3.351 -2.888 5.148 1.00 0.00 N ATOM 692 CZ ARG A 48 2.602 -2.621 6.181 1.00 0.00 C ATOM 693 NH1 ARG A 48 1.353 -2.293 5.987 1.00 0.00 N ATOM 694 NH2 ARG A 48 3.125 -2.689 7.374 1.00 0.00 N ATOM 0 H ARG A 48 6.448 -2.158 0.973 1.00 0.00 H new ATOM 0 HA ARG A 48 5.788 -0.079 2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.456 -3.056 3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.846 -2.034 4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.226 -1.947 2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.240 -3.508 2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.742 -0.941 4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.431 -1.783 3.578 1.00 0.00 H new ATOM 0 HE ARG A 48 3.887 -3.755 5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.979 -2.249 5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.752 -2.081 6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.105 -2.948 7.487 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.554 -2.483 8.194 1.00 0.00 H new ATOM 708 N ASP A 49 8.039 0.375 3.894 1.00 0.00 N ATOM 709 CA ASP A 49 9.415 0.674 4.387 1.00 0.00 C ATOM 710 C ASP A 49 9.663 -0.058 5.706 1.00 0.00 C ATOM 711 O ASP A 49 8.753 -0.256 6.488 1.00 0.00 O ATOM 712 CB ASP A 49 9.562 2.172 4.612 1.00 0.00 C ATOM 713 CG ASP A 49 11.033 2.563 4.468 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.735 2.401 5.453 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.373 3.002 3.382 1.00 0.00 O ATOM 0 H ASP A 49 7.325 1.062 4.137 1.00 0.00 H new ATOM 0 HA ASP A 49 10.140 0.341 3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.956 2.721 3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.198 2.440 5.604 1.00 0.00 H new ATOM 720 N ALA A 50 10.894 -0.429 5.928 1.00 0.00 N ATOM 721 CA ALA A 50 11.232 -1.155 7.184 1.00 0.00 C ATOM 722 C ALA A 50 10.579 -0.462 8.377 1.00 0.00 C ATOM 723 O ALA A 50 10.261 -1.088 9.367 1.00 0.00 O ATOM 724 CB ALA A 50 12.748 -1.164 7.367 1.00 0.00 C ATOM 0 H ALA A 50 11.677 -0.262 5.297 1.00 0.00 H new ATOM 0 HA ALA A 50 10.862 -2.178 7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.001 -1.694 8.285 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.214 -1.665 6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.113 -0.139 7.428 1.00 0.00 H new ATOM 730 N GLN A 51 10.393 0.821 8.251 1.00 0.00 N ATOM 731 CA GLN A 51 9.761 1.579 9.368 1.00 0.00 C ATOM 732 C GLN A 51 8.239 1.431 9.301 1.00 0.00 C ATOM 733 O GLN A 51 7.508 2.253 9.818 1.00 0.00 O ATOM 734 CB GLN A 51 10.136 3.055 9.246 1.00 0.00 C ATOM 735 CG GLN A 51 11.660 3.191 9.280 1.00 0.00 C ATOM 736 CD GLN A 51 12.044 4.644 8.996 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.874 4.926 8.155 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.467 5.597 9.676 1.00 0.00 N ATOM 0 H GLN A 51 10.648 1.374 7.433 1.00 0.00 H new ATOM 0 HA GLN A 51 10.115 1.185 10.321 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.743 3.467 8.317 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.690 3.625 10.061 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.042 2.885 10.254 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.112 2.532 8.539 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.769 5.368 10.384 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.714 6.571 9.500 1.00 0.00 H new ATOM 747 N GLY A 52 7.796 0.382 8.663 1.00 0.00 N ATOM 748 CA GLY A 52 6.330 0.165 8.544 1.00 0.00 C ATOM 749 C GLY A 52 5.670 1.388 7.910 1.00 0.00 C ATOM 750 O GLY A 52 4.577 1.767 8.280 1.00 0.00 O ATOM 0 H GLY A 52 8.382 -0.328 8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.133 -0.720 7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.901 -0.021 9.528 1.00 0.00 H new ATOM 754 N ASN A 53 6.359 1.981 6.963 1.00 0.00 N ATOM 755 CA ASN A 53 5.796 3.196 6.280 1.00 0.00 C ATOM 756 C ASN A 53 5.664 2.949 4.774 1.00 0.00 C ATOM 757 O ASN A 53 6.635 2.669 4.102 1.00 0.00 O ATOM 758 CB ASN A 53 6.732 4.381 6.516 1.00 0.00 C ATOM 759 CG ASN A 53 6.536 4.908 7.937 1.00 0.00 C ATOM 760 OD1 ASN A 53 5.664 5.713 8.200 1.00 0.00 O ATOM 761 ND2 ASN A 53 7.323 4.479 8.884 1.00 0.00 N ATOM 0 H ASN A 53 7.277 1.682 6.634 1.00 0.00 H new ATOM 0 HA ASN A 53 4.809 3.409 6.690 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.768 4.075 6.370 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.527 5.170 5.792 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.205 4.819 9.838 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.057 3.803 8.670 1.00 0.00 H new ATOM 768 N CYS A 54 4.465 3.061 4.278 1.00 0.00 N ATOM 769 CA CYS A 54 4.254 2.831 2.817 1.00 0.00 C ATOM 770 C CYS A 54 4.774 4.020 2.007 1.00 0.00 C ATOM 771 O CYS A 54 4.317 5.134 2.174 1.00 0.00 O ATOM 772 CB CYS A 54 2.762 2.651 2.550 1.00 0.00 C ATOM 773 SG CYS A 54 2.201 2.815 0.837 1.00 0.00 S ATOM 0 H CYS A 54 3.629 3.299 4.811 1.00 0.00 H new ATOM 0 HA CYS A 54 4.800 1.937 2.516 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.472 1.663 2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.221 3.380 3.154 1.00 0.00 H new ATOM 778 N ILE A 55 5.724 3.758 1.147 1.00 0.00 N ATOM 779 CA ILE A 55 6.282 4.862 0.309 1.00 0.00 C ATOM 780 C ILE A 55 6.561 4.364 -1.112 1.00 0.00 C ATOM 781 O ILE A 55 6.803 3.193 -1.326 1.00 0.00 O ATOM 782 CB ILE A 55 7.580 5.374 0.939 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.658 4.282 0.865 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.326 5.730 2.404 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.876 4.728 1.677 1.00 0.00 C ATOM 0 H ILE A 55 6.134 2.838 0.989 1.00 0.00 H new ATOM 0 HA ILE A 55 5.554 5.671 0.260 1.00 0.00 H new ATOM 0 HB ILE A 55 7.919 6.257 0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.269 3.342 1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.942 4.103 -0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.249 6.095 2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.562 6.505 2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.986 4.844 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.646 3.958 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.267 5.658 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.583 4.885 2.715 1.00 0.00 H new ATOM 797 N LYS A 56 6.522 5.267 -2.050 1.00 0.00 N ATOM 798 CA LYS A 56 6.788 4.868 -3.468 1.00 0.00 C ATOM 799 C LYS A 56 8.012 3.944 -3.547 1.00 0.00 C ATOM 800 O LYS A 56 8.807 3.880 -2.630 1.00 0.00 O ATOM 801 CB LYS A 56 7.052 6.121 -4.300 1.00 0.00 C ATOM 802 CG LYS A 56 5.838 7.046 -4.220 1.00 0.00 C ATOM 803 CD LYS A 56 6.206 8.409 -4.807 1.00 0.00 C ATOM 804 CE LYS A 56 5.060 8.896 -5.698 1.00 0.00 C ATOM 805 NZ LYS A 56 3.799 9.004 -4.913 1.00 0.00 N ATOM 0 H LYS A 56 6.320 6.256 -1.903 1.00 0.00 H new ATOM 0 HA LYS A 56 5.919 4.335 -3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.940 6.635 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.248 5.848 -5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.000 6.615 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.518 7.157 -3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.391 9.126 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.126 8.333 -5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.312 9.866 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.920 8.206 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.105 9.565 -5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.415 8.053 -4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.995 9.469 -4.004 1.00 0.00 H new ATOM 819 N PHE A 57 8.134 3.252 -4.650 1.00 0.00 N ATOM 820 CA PHE A 57 9.298 2.327 -4.821 1.00 0.00 C ATOM 821 C PHE A 57 10.593 3.131 -4.979 1.00 0.00 C ATOM 822 O PHE A 57 11.628 2.755 -4.463 1.00 0.00 O ATOM 823 CB PHE A 57 9.073 1.478 -6.072 1.00 0.00 C ATOM 824 CG PHE A 57 9.552 0.046 -5.818 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.877 -0.208 -5.508 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.665 -1.016 -5.895 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.307 -1.498 -5.281 1.00 0.00 C ATOM 828 CE2 PHE A 57 9.099 -2.305 -5.668 1.00 0.00 C ATOM 829 CZ PHE A 57 10.417 -2.546 -5.362 1.00 0.00 C ATOM 0 H PHE A 57 7.484 3.285 -5.435 1.00 0.00 H new ATOM 0 HA PHE A 57 9.385 1.688 -3.942 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.016 1.476 -6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.612 1.908 -6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.579 0.610 -5.444 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.628 -0.833 -6.134 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.343 -1.687 -5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.402 -3.127 -5.731 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.755 -3.557 -5.185 1.00 0.00 H new ATOM 839 N GLU A 58 10.507 4.221 -5.690 1.00 0.00 N ATOM 840 CA GLU A 58 11.725 5.060 -5.895 1.00 0.00 C ATOM 841 C GLU A 58 12.098 5.782 -4.598 1.00 0.00 C ATOM 842 O GLU A 58 13.214 6.233 -4.435 1.00 0.00 O ATOM 843 CB GLU A 58 11.442 6.090 -6.988 1.00 0.00 C ATOM 844 CG GLU A 58 12.768 6.655 -7.500 1.00 0.00 C ATOM 845 CD GLU A 58 12.617 8.157 -7.744 1.00 0.00 C ATOM 846 OE1 GLU A 58 11.605 8.512 -8.325 1.00 0.00 O ATOM 847 OE2 GLU A 58 13.521 8.866 -7.334 1.00 0.00 O ATOM 0 H GLU A 58 9.656 4.566 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 58 12.556 4.419 -6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.890 5.628 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.818 6.893 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.560 6.471 -6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.059 6.152 -8.423 1.00 0.00 H new ATOM 854 N ASP A 59 11.155 5.874 -3.703 1.00 0.00 N ATOM 855 CA ASP A 59 11.438 6.564 -2.410 1.00 0.00 C ATOM 856 C ASP A 59 11.992 5.561 -1.394 1.00 0.00 C ATOM 857 O ASP A 59 11.965 5.799 -0.204 1.00 0.00 O ATOM 858 CB ASP A 59 10.145 7.172 -1.872 1.00 0.00 C ATOM 859 CG ASP A 59 9.668 8.267 -2.829 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.813 8.045 -4.021 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.185 9.262 -2.316 1.00 0.00 O ATOM 0 H ASP A 59 10.209 5.506 -3.807 1.00 0.00 H new ATOM 0 HA ASP A 59 12.175 7.350 -2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.381 6.401 -1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.310 7.588 -0.878 1.00 0.00 H new ATOM 866 N CYS A 60 12.485 4.460 -1.890 1.00 0.00 N ATOM 867 CA CYS A 60 13.045 3.427 -0.972 1.00 0.00 C ATOM 868 C CYS A 60 14.353 3.940 -0.333 1.00 0.00 C ATOM 869 O CYS A 60 14.966 4.862 -0.835 1.00 0.00 O ATOM 870 CB CYS A 60 13.326 2.164 -1.779 1.00 0.00 C ATOM 871 SG CYS A 60 12.185 0.781 -1.570 1.00 0.00 S ATOM 0 H CYS A 60 12.525 4.231 -2.883 1.00 0.00 H new ATOM 0 HA CYS A 60 12.331 3.213 -0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.340 2.434 -2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.328 1.817 -1.525 1.00 0.00 H new