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= 0.124 USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= -0.142 (180deg=-0.879) USER MOD Single : A 9 ASN : amide:sc= -4.17! X(o=-4.2!,f=-4.2) USER MOD Single : A 11 GLN : amide:sc= -0.0467 K(o=-0.047,f=-0.91) USER MOD Single : A 13 THR OG1 : rot -155:sc= 0.573 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 140:sc= -0.46 USER MOD Single : A 24 GLN : amide:sc= -0.468 X(o=-0.47,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= -2.7 (180deg=-2.7) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 33:sc= 0.975 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.932 F(o=-3.4!,f=-0.93) USER MOD Single : A 56 LYS NZ :NH3+ 152:sc= -0.281 (180deg=-1.37!) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -7.590 10.180 0.005 1.00 0.00 N ATOM 66 CA CYS A 5 -7.123 10.281 1.418 1.00 0.00 C ATOM 67 C CYS A 5 -6.345 11.581 1.629 1.00 0.00 C ATOM 68 O CYS A 5 -6.456 12.508 0.849 1.00 0.00 O ATOM 69 CB CYS A 5 -6.225 9.090 1.734 1.00 0.00 C ATOM 70 SG CYS A 5 -6.666 7.500 0.985 1.00 0.00 S ATOM 0 HA CYS A 5 -7.988 10.280 2.082 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.210 9.340 1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.204 8.960 2.816 1.00 0.00 H new ATOM 75 N THR A 6 -5.575 11.620 2.681 1.00 0.00 N ATOM 76 CA THR A 6 -4.788 12.854 2.977 1.00 0.00 C ATOM 77 C THR A 6 -3.316 12.686 2.576 1.00 0.00 C ATOM 78 O THR A 6 -2.903 13.120 1.520 1.00 0.00 O ATOM 79 CB THR A 6 -4.872 13.141 4.477 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.019 11.860 5.082 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.142 13.906 4.831 1.00 0.00 C ATOM 0 H THR A 6 -5.456 10.856 3.346 1.00 0.00 H new ATOM 0 HA THR A 6 -5.205 13.681 2.401 1.00 0.00 H new ATOM 0 HB THR A 6 -4.004 13.717 4.796 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.078 11.963 6.055 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.167 14.092 5.905 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.155 14.857 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.013 13.317 4.544 1.00 0.00 H new ATOM 89 N LYS A 7 -2.557 12.056 3.433 1.00 0.00 N ATOM 90 CA LYS A 7 -1.100 11.873 3.137 1.00 0.00 C ATOM 91 C LYS A 7 -0.902 11.078 1.817 1.00 0.00 C ATOM 92 O LYS A 7 -1.765 10.318 1.421 1.00 0.00 O ATOM 93 CB LYS A 7 -0.460 11.105 4.293 1.00 0.00 C ATOM 94 CG LYS A 7 -0.008 12.098 5.365 1.00 0.00 C ATOM 95 CD LYS A 7 0.144 11.360 6.697 1.00 0.00 C ATOM 96 CE LYS A 7 0.650 12.341 7.757 1.00 0.00 C ATOM 97 NZ LYS A 7 -0.090 13.632 7.665 1.00 0.00 N ATOM 0 H LYS A 7 -2.876 11.662 4.318 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.632 12.851 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.173 10.396 4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.391 10.526 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.939 12.556 5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.735 12.904 5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.812 10.936 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.842 10.529 6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.522 11.911 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.717 12.516 7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.010 14.143 8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.316 14.211 6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.092 13.444 7.461 1.00 0.00 H new ATOM 111 N PRO A 8 0.245 11.271 1.155 1.00 0.00 N ATOM 112 CA PRO A 8 0.542 10.553 -0.100 1.00 0.00 C ATOM 113 C PRO A 8 0.646 9.040 0.144 1.00 0.00 C ATOM 114 O PRO A 8 0.640 8.590 1.274 1.00 0.00 O ATOM 115 CB PRO A 8 1.896 11.099 -0.569 1.00 0.00 C ATOM 116 CG PRO A 8 2.439 12.022 0.562 1.00 0.00 C ATOM 117 CD PRO A 8 1.304 12.213 1.583 1.00 0.00 C ATOM 0 HA PRO A 8 -0.245 10.703 -0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.592 10.284 -0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.785 11.656 -1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.312 11.574 1.037 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.755 12.983 0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.642 11.994 2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.942 13.241 1.584 1.00 0.00 H new ATOM 125 N ASN A 9 0.755 8.293 -0.927 1.00 0.00 N ATOM 126 CA ASN A 9 0.858 6.801 -0.794 1.00 0.00 C ATOM 127 C ASN A 9 -0.446 6.204 -0.243 1.00 0.00 C ATOM 128 O ASN A 9 -0.765 5.064 -0.517 1.00 0.00 O ATOM 129 CB ASN A 9 2.018 6.453 0.139 1.00 0.00 C ATOM 130 CG ASN A 9 3.151 7.465 -0.051 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.992 7.317 -0.919 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.216 8.500 0.739 1.00 0.00 N ATOM 0 H ASN A 9 0.777 8.646 -1.884 1.00 0.00 H new ATOM 0 HA ASN A 9 1.036 6.377 -1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.680 6.461 1.175 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.377 5.446 -0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.968 9.180 0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.515 8.630 1.468 1.00 0.00 H new ATOM 139 N GLU A 10 -1.171 6.973 0.517 1.00 0.00 N ATOM 140 CA GLU A 10 -2.450 6.451 1.065 1.00 0.00 C ATOM 141 C GLU A 10 -3.580 6.784 0.094 1.00 0.00 C ATOM 142 O GLU A 10 -4.001 7.919 -0.001 1.00 0.00 O ATOM 143 CB GLU A 10 -2.723 7.099 2.420 1.00 0.00 C ATOM 144 CG GLU A 10 -1.913 6.372 3.496 1.00 0.00 C ATOM 145 CD GLU A 10 -2.597 5.045 3.838 1.00 0.00 C ATOM 146 OE1 GLU A 10 -3.539 5.106 4.612 1.00 0.00 O ATOM 147 OE2 GLU A 10 -2.138 4.047 3.308 1.00 0.00 O ATOM 0 H GLU A 10 -0.937 7.930 0.780 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.386 5.370 1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.451 8.154 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.787 7.050 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.898 6.190 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.833 6.993 4.388 1.00 0.00 H new ATOM 154 N GLN A 11 -4.041 5.786 -0.613 1.00 0.00 N ATOM 155 CA GLN A 11 -5.135 6.024 -1.597 1.00 0.00 C ATOM 156 C GLN A 11 -6.202 4.946 -1.457 1.00 0.00 C ATOM 157 O GLN A 11 -5.980 3.919 -0.849 1.00 0.00 O ATOM 158 CB GLN A 11 -4.556 5.992 -3.008 1.00 0.00 C ATOM 159 CG GLN A 11 -5.307 7.001 -3.876 1.00 0.00 C ATOM 160 CD GLN A 11 -5.017 6.714 -5.350 1.00 0.00 C ATOM 161 OE1 GLN A 11 -4.991 5.578 -5.779 1.00 0.00 O ATOM 162 NE2 GLN A 11 -4.794 7.714 -6.158 1.00 0.00 N ATOM 0 H GLN A 11 -3.710 4.823 -0.552 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.588 6.997 -1.408 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.493 6.233 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.647 4.991 -3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.378 6.936 -3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.999 8.016 -3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.814 8.670 -5.804 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.599 7.539 -7.144 1.00 0.00 H new ATOM 171 N TRP A 12 -7.335 5.201 -2.031 1.00 0.00 N ATOM 172 CA TRP A 12 -8.439 4.213 -1.937 1.00 0.00 C ATOM 173 C TRP A 12 -8.039 2.882 -2.553 1.00 0.00 C ATOM 174 O TRP A 12 -7.395 2.840 -3.583 1.00 0.00 O ATOM 175 CB TRP A 12 -9.640 4.742 -2.691 1.00 0.00 C ATOM 176 CG TRP A 12 -10.704 3.644 -2.753 1.00 0.00 C ATOM 177 CD1 TRP A 12 -10.908 2.847 -3.800 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.566 3.393 -1.799 1.00 0.00 C ATOM 179 NE1 TRP A 12 -11.960 2.099 -3.425 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.439 2.388 -2.169 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.667 3.974 -0.553 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.420 1.976 -1.295 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.645 3.560 0.324 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.524 2.561 -0.048 1.00 0.00 C ATOM 0 H TRP A 12 -7.547 6.047 -2.560 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.672 4.061 -0.883 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.038 5.626 -2.194 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.351 5.045 -3.697 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.359 2.810 -4.729 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.368 1.379 -4.021 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.979 4.755 -0.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.108 1.196 -1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.725 4.015 1.300 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.293 2.237 0.637 1.00 0.00 H new ATOM 195 N THR A 13 -8.428 1.820 -1.905 1.00 0.00 N ATOM 196 CA THR A 13 -8.120 0.479 -2.457 1.00 0.00 C ATOM 197 C THR A 13 -9.307 -0.458 -2.219 1.00 0.00 C ATOM 198 O THR A 13 -9.792 -0.587 -1.115 1.00 0.00 O ATOM 199 CB THR A 13 -6.860 -0.085 -1.787 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.919 -1.487 -2.028 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.902 0.063 -0.267 1.00 0.00 C ATOM 0 H THR A 13 -8.942 1.825 -1.024 1.00 0.00 H new ATOM 0 HA THR A 13 -7.940 0.562 -3.529 1.00 0.00 H new ATOM 0 HB THR A 13 -5.980 0.430 -2.172 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.409 -1.959 -1.338 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.990 -0.350 0.164 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.981 1.118 -0.006 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.765 -0.474 0.127 1.00 0.00 H new ATOM 209 N LYS A 14 -9.767 -1.080 -3.265 1.00 0.00 N ATOM 210 CA LYS A 14 -10.923 -2.002 -3.101 1.00 0.00 C ATOM 211 C LYS A 14 -10.480 -3.269 -2.361 1.00 0.00 C ATOM 212 O LYS A 14 -11.296 -4.066 -1.942 1.00 0.00 O ATOM 213 CB LYS A 14 -11.475 -2.359 -4.476 1.00 0.00 C ATOM 214 CG LYS A 14 -12.745 -1.544 -4.732 1.00 0.00 C ATOM 215 CD LYS A 14 -13.077 -1.589 -6.220 1.00 0.00 C ATOM 216 CE LYS A 14 -13.178 -3.048 -6.670 1.00 0.00 C ATOM 217 NZ LYS A 14 -13.952 -3.150 -7.941 1.00 0.00 N ATOM 0 H LYS A 14 -9.400 -0.993 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.702 -1.514 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.732 -2.149 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.695 -3.425 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.574 -1.947 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.601 -0.513 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.017 -1.071 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.307 -1.072 -6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.179 -3.461 -6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.662 -3.641 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.011 -4.147 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.911 -2.775 -7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.474 -2.600 -8.683 1.00 0.00 H new ATOM 231 N CYS A 15 -9.189 -3.424 -2.217 1.00 0.00 N ATOM 232 CA CYS A 15 -8.663 -4.617 -1.494 1.00 0.00 C ATOM 233 C CYS A 15 -7.473 -4.215 -0.617 1.00 0.00 C ATOM 234 O CYS A 15 -6.377 -4.022 -1.106 1.00 0.00 O ATOM 235 CB CYS A 15 -8.205 -5.660 -2.508 1.00 0.00 C ATOM 236 SG CYS A 15 -6.739 -6.637 -2.080 1.00 0.00 S ATOM 0 H CYS A 15 -8.481 -2.779 -2.567 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.452 -5.030 -0.865 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.032 -6.349 -2.682 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.009 -5.151 -3.452 1.00 0.00 H new ATOM 241 N GLY A 16 -7.711 -4.096 0.659 1.00 0.00 N ATOM 242 CA GLY A 16 -6.604 -3.707 1.575 1.00 0.00 C ATOM 243 C GLY A 16 -5.846 -4.946 2.057 1.00 0.00 C ATOM 244 O GLY A 16 -5.796 -5.950 1.374 1.00 0.00 O ATOM 0 H GLY A 16 -8.616 -4.250 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.920 -3.032 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.006 -3.164 2.430 1.00 0.00 H new ATOM 248 N GLY A 17 -5.277 -4.847 3.231 1.00 0.00 N ATOM 249 CA GLY A 17 -4.516 -6.004 3.785 1.00 0.00 C ATOM 250 C GLY A 17 -3.011 -5.763 3.655 1.00 0.00 C ATOM 251 O GLY A 17 -2.506 -4.733 4.055 1.00 0.00 O ATOM 0 H GLY A 17 -5.307 -4.019 3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.778 -6.152 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.792 -6.916 3.256 1.00 0.00 H new ATOM 255 N CYS A 18 -2.325 -6.721 3.096 1.00 0.00 N ATOM 256 CA CYS A 18 -0.849 -6.566 2.932 1.00 0.00 C ATOM 257 C CYS A 18 -0.540 -5.797 1.646 1.00 0.00 C ATOM 258 O CYS A 18 -1.414 -5.203 1.046 1.00 0.00 O ATOM 259 CB CYS A 18 -0.207 -7.949 2.864 1.00 0.00 C ATOM 260 SG CYS A 18 -0.978 -9.271 3.831 1.00 0.00 S ATOM 0 H CYS A 18 -2.716 -7.597 2.748 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.449 -6.011 3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.189 -8.261 1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.830 -7.856 3.187 1.00 0.00 H new ATOM 265 N GLU A 19 0.702 -5.826 1.249 1.00 0.00 N ATOM 266 CA GLU A 19 1.089 -5.104 0.004 1.00 0.00 C ATOM 267 C GLU A 19 2.374 -5.700 -0.576 1.00 0.00 C ATOM 268 O GLU A 19 2.593 -6.892 -0.501 1.00 0.00 O ATOM 269 CB GLU A 19 1.314 -3.629 0.330 1.00 0.00 C ATOM 270 CG GLU A 19 1.193 -2.801 -0.954 1.00 0.00 C ATOM 271 CD GLU A 19 2.243 -1.687 -0.943 1.00 0.00 C ATOM 272 OE1 GLU A 19 2.559 -1.249 0.150 1.00 0.00 O ATOM 273 OE2 GLU A 19 2.671 -1.339 -2.031 1.00 0.00 O ATOM 0 H GLU A 19 1.460 -6.313 1.727 1.00 0.00 H new ATOM 0 HA GLU A 19 0.291 -5.205 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.582 -3.291 1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.299 -3.489 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.334 -3.440 -1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.194 -2.373 -1.031 1.00 0.00 H new ATOM 280 N GLY A 20 3.192 -4.850 -1.142 1.00 0.00 N ATOM 281 CA GLY A 20 4.473 -5.335 -1.740 1.00 0.00 C ATOM 282 C GLY A 20 5.667 -4.723 -1.011 1.00 0.00 C ATOM 283 O GLY A 20 5.517 -4.108 0.026 1.00 0.00 O ATOM 0 H GLY A 20 3.030 -3.846 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.521 -6.422 -1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.511 -5.072 -2.797 1.00 0.00 H new ATOM 287 N THR A 21 6.829 -4.908 -1.570 1.00 0.00 N ATOM 288 CA THR A 21 8.050 -4.340 -0.930 1.00 0.00 C ATOM 289 C THR A 21 9.025 -3.858 -2.008 1.00 0.00 C ATOM 290 O THR A 21 8.715 -3.886 -3.183 1.00 0.00 O ATOM 291 CB THR A 21 8.720 -5.420 -0.078 1.00 0.00 C ATOM 292 OG1 THR A 21 8.609 -6.612 -0.851 1.00 0.00 O ATOM 293 CG2 THR A 21 7.935 -5.695 1.201 1.00 0.00 C ATOM 0 H THR A 21 6.987 -5.424 -2.436 1.00 0.00 H new ATOM 0 HA THR A 21 7.770 -3.496 -0.300 1.00 0.00 H new ATOM 0 HB THR A 21 9.734 -5.114 0.179 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.440 -7.127 -0.780 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.442 -6.467 1.780 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.871 -4.782 1.792 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.931 -6.033 0.946 1.00 0.00 H new ATOM 301 N CYS A 22 10.185 -3.434 -1.591 1.00 0.00 N ATOM 302 CA CYS A 22 11.182 -2.949 -2.586 1.00 0.00 C ATOM 303 C CYS A 22 11.800 -4.140 -3.314 1.00 0.00 C ATOM 304 O CYS A 22 12.743 -3.993 -4.068 1.00 0.00 O ATOM 305 CB CYS A 22 12.274 -2.164 -1.863 1.00 0.00 C ATOM 306 SG CYS A 22 13.329 -1.094 -2.869 1.00 0.00 S ATOM 0 H CYS A 22 10.484 -3.402 -0.616 1.00 0.00 H new ATOM 0 HA CYS A 22 10.689 -2.302 -3.312 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.798 -1.548 -1.100 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.914 -2.877 -1.343 1.00 0.00 H new ATOM 311 N ALA A 23 11.252 -5.299 -3.071 1.00 0.00 N ATOM 312 CA ALA A 23 11.791 -6.519 -3.735 1.00 0.00 C ATOM 313 C ALA A 23 10.659 -7.500 -4.083 1.00 0.00 C ATOM 314 O ALA A 23 10.892 -8.514 -4.710 1.00 0.00 O ATOM 315 CB ALA A 23 12.775 -7.196 -2.786 1.00 0.00 C ATOM 0 H ALA A 23 10.461 -5.454 -2.446 1.00 0.00 H new ATOM 0 HA ALA A 23 12.289 -6.230 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.178 -8.092 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.589 -6.509 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.261 -7.472 -1.865 1.00 0.00 H new ATOM 321 N GLN A 24 9.457 -7.180 -3.676 1.00 0.00 N ATOM 322 CA GLN A 24 8.316 -8.096 -3.981 1.00 0.00 C ATOM 323 C GLN A 24 7.015 -7.300 -4.131 1.00 0.00 C ATOM 324 O GLN A 24 6.284 -7.114 -3.178 1.00 0.00 O ATOM 325 CB GLN A 24 8.163 -9.112 -2.844 1.00 0.00 C ATOM 326 CG GLN A 24 8.905 -10.400 -3.211 1.00 0.00 C ATOM 327 CD GLN A 24 8.741 -11.419 -2.081 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.679 -12.087 -1.691 1.00 0.00 O ATOM 329 NE2 GLN A 24 7.569 -11.570 -1.529 1.00 0.00 N ATOM 0 H GLN A 24 9.218 -6.337 -3.153 1.00 0.00 H new ATOM 0 HA GLN A 24 8.521 -8.614 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.563 -8.700 -1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.108 -9.324 -2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.512 -10.807 -4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.962 -10.190 -3.376 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.778 -11.013 -1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.444 -12.245 -0.775 1.00 0.00 H new ATOM 338 N LYS A 25 6.757 -6.849 -5.328 1.00 0.00 N ATOM 339 CA LYS A 25 5.506 -6.069 -5.569 1.00 0.00 C ATOM 340 C LYS A 25 4.318 -6.747 -4.872 1.00 0.00 C ATOM 341 O LYS A 25 3.354 -6.099 -4.514 1.00 0.00 O ATOM 342 CB LYS A 25 5.246 -6.008 -7.075 1.00 0.00 C ATOM 343 CG LYS A 25 4.163 -4.959 -7.361 1.00 0.00 C ATOM 344 CD LYS A 25 4.820 -3.594 -7.593 1.00 0.00 C ATOM 345 CE LYS A 25 5.122 -3.423 -9.084 1.00 0.00 C ATOM 346 NZ LYS A 25 5.578 -4.710 -9.679 1.00 0.00 N ATOM 0 H LYS A 25 7.352 -6.984 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 25 5.622 -5.063 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.164 -5.753 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.928 -6.984 -7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.584 -5.249 -8.238 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.467 -4.902 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.160 -2.797 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.740 -3.517 -7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.230 -3.072 -9.603 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.890 -2.661 -9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.778 -4.573 -10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.442 -5.029 -9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.833 -5.427 -9.567 1.00 0.00 H new ATOM 360 N ILE A 26 4.413 -8.045 -4.704 1.00 0.00 N ATOM 361 CA ILE A 26 3.304 -8.791 -4.032 1.00 0.00 C ATOM 362 C ILE A 26 3.878 -9.686 -2.922 1.00 0.00 C ATOM 363 O ILE A 26 4.698 -10.543 -3.179 1.00 0.00 O ATOM 364 CB ILE A 26 2.583 -9.675 -5.061 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.172 -8.844 -6.305 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.340 -10.290 -4.412 1.00 0.00 C ATOM 367 CD1 ILE A 26 0.894 -8.033 -6.028 1.00 0.00 C ATOM 0 H ILE A 26 5.205 -8.616 -5.001 1.00 0.00 H new ATOM 0 HA ILE A 26 2.603 -8.076 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 26 3.260 -10.465 -5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.983 -8.169 -6.580 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.009 -9.509 -7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.824 -10.919 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.638 -10.894 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.672 -9.495 -4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.627 -7.459 -6.916 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.079 -8.712 -5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.069 -7.352 -5.195 1.00 0.00 H new ATOM 379 N VAL A 27 3.432 -9.465 -1.712 1.00 0.00 N ATOM 380 CA VAL A 27 3.943 -10.292 -0.577 1.00 0.00 C ATOM 381 C VAL A 27 2.927 -11.431 -0.250 1.00 0.00 C ATOM 382 O VAL A 27 1.741 -11.175 -0.172 1.00 0.00 O ATOM 383 CB VAL A 27 4.100 -9.384 0.649 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.722 -9.116 1.264 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.990 -10.071 1.687 1.00 0.00 C ATOM 0 H VAL A 27 2.743 -8.755 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 27 4.900 -10.739 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 27 4.557 -8.442 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.832 -8.471 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.084 -8.626 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.269 -10.060 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.100 -9.424 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.534 -11.013 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.971 -10.266 1.253 1.00 0.00 H new ATOM 395 N PRO A 28 3.395 -12.675 -0.068 1.00 0.00 N ATOM 396 CA PRO A 28 2.479 -13.781 0.253 1.00 0.00 C ATOM 397 C PRO A 28 1.707 -13.484 1.542 1.00 0.00 C ATOM 398 O PRO A 28 2.262 -12.979 2.497 1.00 0.00 O ATOM 399 CB PRO A 28 3.374 -15.013 0.441 1.00 0.00 C ATOM 400 CG PRO A 28 4.846 -14.559 0.219 1.00 0.00 C ATOM 401 CD PRO A 28 4.818 -13.067 -0.162 1.00 0.00 C ATOM 0 HA PRO A 28 1.739 -13.931 -0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.248 -15.430 1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.103 -15.796 -0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.435 -14.713 1.123 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.314 -15.148 -0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.436 -12.475 0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.205 -12.909 -1.169 1.00 0.00 H new ATOM 409 N CYS A 29 0.443 -13.803 1.542 1.00 0.00 N ATOM 410 CA CYS A 29 -0.375 -13.543 2.761 1.00 0.00 C ATOM 411 C CYS A 29 -1.591 -14.471 2.792 1.00 0.00 C ATOM 412 O CYS A 29 -2.490 -14.348 1.984 1.00 0.00 O ATOM 413 CB CYS A 29 -0.845 -12.090 2.747 1.00 0.00 C ATOM 414 SG CYS A 29 0.228 -10.865 3.540 1.00 0.00 S ATOM 0 H CYS A 29 -0.056 -14.228 0.760 1.00 0.00 H new ATOM 0 HA CYS A 29 0.233 -13.730 3.646 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.989 -11.791 1.709 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.822 -12.046 3.229 1.00 0.00 H new ATOM 419 N THR A 30 -1.594 -15.380 3.728 1.00 0.00 N ATOM 420 CA THR A 30 -2.744 -16.324 3.827 1.00 0.00 C ATOM 421 C THR A 30 -4.061 -15.544 3.833 1.00 0.00 C ATOM 422 O THR A 30 -5.115 -16.096 3.585 1.00 0.00 O ATOM 423 CB THR A 30 -2.616 -17.132 5.119 1.00 0.00 C ATOM 424 OG1 THR A 30 -3.183 -16.298 6.126 1.00 0.00 O ATOM 425 CG2 THR A 30 -1.155 -17.314 5.521 1.00 0.00 C ATOM 0 H THR A 30 -0.858 -15.510 4.422 1.00 0.00 H new ATOM 0 HA THR A 30 -2.738 -16.997 2.970 1.00 0.00 H new ATOM 0 HB THR A 30 -3.083 -18.109 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.138 -16.754 6.992 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.101 -17.893 6.443 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.623 -17.842 4.730 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.696 -16.338 5.678 1.00 0.00 H new ATOM 433 N ARG A 31 -3.973 -14.275 4.120 1.00 0.00 N ATOM 434 CA ARG A 31 -5.208 -13.439 4.144 1.00 0.00 C ATOM 435 C ARG A 31 -5.767 -13.292 2.723 1.00 0.00 C ATOM 436 O ARG A 31 -5.331 -13.970 1.814 1.00 0.00 O ATOM 437 CB ARG A 31 -4.864 -12.059 4.709 1.00 0.00 C ATOM 438 CG ARG A 31 -4.841 -12.135 6.238 1.00 0.00 C ATOM 439 CD ARG A 31 -3.875 -13.241 6.673 1.00 0.00 C ATOM 440 NE ARG A 31 -3.573 -13.076 8.123 1.00 0.00 N ATOM 441 CZ ARG A 31 -4.435 -13.497 9.009 1.00 0.00 C ATOM 442 NH1 ARG A 31 -4.995 -14.664 8.842 1.00 0.00 N ATOM 443 NH2 ARG A 31 -4.709 -12.734 10.033 1.00 0.00 N ATOM 0 H ARG A 31 -3.107 -13.783 4.338 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.961 -13.917 4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.895 -11.730 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.599 -11.324 4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.529 -11.178 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.842 -12.339 6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.316 -14.221 6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.956 -13.190 6.089 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.701 -12.638 8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.757 -15.232 8.029 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.670 -15.008 9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.252 -11.827 10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.380 -13.045 10.736 1.00 0.00 H new ATOM 457 N GLU A 32 -6.725 -12.411 2.568 1.00 0.00 N ATOM 458 CA GLU A 32 -7.335 -12.200 1.217 1.00 0.00 C ATOM 459 C GLU A 32 -7.249 -10.723 0.820 1.00 0.00 C ATOM 460 O GLU A 32 -6.428 -10.340 0.010 1.00 0.00 O ATOM 461 CB GLU A 32 -8.800 -12.626 1.260 1.00 0.00 C ATOM 462 CG GLU A 32 -8.877 -14.151 1.371 1.00 0.00 C ATOM 463 CD GLU A 32 -10.340 -14.590 1.282 1.00 0.00 C ATOM 464 OE1 GLU A 32 -11.095 -14.132 2.122 1.00 0.00 O ATOM 465 OE2 GLU A 32 -10.618 -15.359 0.377 1.00 0.00 O ATOM 0 H GLU A 32 -7.110 -11.831 3.314 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.792 -12.795 0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.302 -12.162 2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.316 -12.288 0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.297 -14.615 0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.443 -14.481 2.315 1.00 0.00 H new ATOM 472 N CYS A 33 -8.102 -9.927 1.401 1.00 0.00 N ATOM 473 CA CYS A 33 -8.094 -8.472 1.070 1.00 0.00 C ATOM 474 C CYS A 33 -8.997 -7.704 2.043 1.00 0.00 C ATOM 475 O CYS A 33 -10.207 -7.762 1.939 1.00 0.00 O ATOM 476 CB CYS A 33 -8.618 -8.283 -0.355 1.00 0.00 C ATOM 477 SG CYS A 33 -7.449 -8.498 -1.723 1.00 0.00 S ATOM 0 H CYS A 33 -8.800 -10.216 2.086 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.076 -8.091 1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.440 -8.983 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.036 -7.279 -0.427 1.00 0.00 H new ATOM 482 N LYS A 34 -8.395 -7.002 2.970 1.00 0.00 N ATOM 483 CA LYS A 34 -9.220 -6.225 3.943 1.00 0.00 C ATOM 484 C LYS A 34 -10.319 -5.457 3.171 1.00 0.00 C ATOM 485 O LYS A 34 -10.143 -5.147 2.010 1.00 0.00 O ATOM 486 CB LYS A 34 -8.306 -5.234 4.674 1.00 0.00 C ATOM 487 CG LYS A 34 -7.596 -5.955 5.833 1.00 0.00 C ATOM 488 CD LYS A 34 -8.486 -5.933 7.084 1.00 0.00 C ATOM 489 CE LYS A 34 -7.695 -6.487 8.270 1.00 0.00 C ATOM 490 NZ LYS A 34 -8.470 -6.328 9.533 1.00 0.00 N ATOM 0 H LYS A 34 -7.385 -6.934 3.094 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.690 -6.892 4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.571 -4.822 3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.890 -4.396 5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.374 -6.984 5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.643 -5.470 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.815 -4.915 7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.383 -6.530 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.470 -7.541 8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.741 -5.967 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.919 -6.709 10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.663 -5.319 9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.369 -6.845 9.456 1.00 0.00 H new ATOM 504 N PRO A 35 -11.436 -5.161 3.824 1.00 0.00 N ATOM 505 CA PRO A 35 -12.526 -4.442 3.156 1.00 0.00 C ATOM 506 C PRO A 35 -11.998 -3.142 2.501 1.00 0.00 C ATOM 507 O PRO A 35 -10.921 -2.680 2.817 1.00 0.00 O ATOM 508 CB PRO A 35 -13.542 -4.125 4.262 1.00 0.00 C ATOM 509 CG PRO A 35 -13.014 -4.777 5.576 1.00 0.00 C ATOM 510 CD PRO A 35 -11.694 -5.495 5.238 1.00 0.00 C ATOM 0 HA PRO A 35 -12.974 -5.032 2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.653 -3.048 4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.525 -4.519 4.005 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.853 -4.019 6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.743 -5.483 5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.882 -5.153 5.880 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.781 -6.572 5.381 1.00 0.00 H new ATOM 518 N PRO A 36 -12.782 -2.579 1.592 1.00 0.00 N ATOM 519 CA PRO A 36 -12.400 -1.336 0.896 1.00 0.00 C ATOM 520 C PRO A 36 -12.105 -0.199 1.885 1.00 0.00 C ATOM 521 O PRO A 36 -12.889 0.076 2.771 1.00 0.00 O ATOM 522 CB PRO A 36 -13.614 -0.974 0.036 1.00 0.00 C ATOM 523 CG PRO A 36 -14.683 -2.087 0.234 1.00 0.00 C ATOM 524 CD PRO A 36 -14.095 -3.126 1.200 1.00 0.00 C ATOM 0 HA PRO A 36 -11.492 -1.478 0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.014 -0.003 0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.330 -0.899 -1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.604 -1.666 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.935 -2.550 -0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.739 -3.268 2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.990 -4.098 0.719 1.00 0.00 H new ATOM 532 N ARG A 37 -10.975 0.440 1.701 1.00 0.00 N ATOM 533 CA ARG A 37 -10.601 1.574 2.608 1.00 0.00 C ATOM 534 C ARG A 37 -9.286 2.207 2.133 1.00 0.00 C ATOM 535 O ARG A 37 -8.579 1.641 1.325 1.00 0.00 O ATOM 536 CB ARG A 37 -10.410 1.049 4.039 1.00 0.00 C ATOM 537 CG ARG A 37 -10.774 2.150 5.040 1.00 0.00 C ATOM 538 CD ARG A 37 -12.271 2.068 5.351 1.00 0.00 C ATOM 539 NE ARG A 37 -12.665 3.259 6.152 1.00 0.00 N ATOM 540 CZ ARG A 37 -13.770 3.226 6.846 1.00 0.00 C ATOM 541 NH1 ARG A 37 -14.583 2.216 6.691 1.00 0.00 N ATOM 542 NH2 ARG A 37 -14.025 4.202 7.672 1.00 0.00 N ATOM 0 H ARG A 37 -10.299 0.228 0.968 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.396 2.319 2.589 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.037 0.172 4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.377 0.735 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.193 2.034 5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.528 3.129 4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.846 2.029 4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.492 1.154 5.902 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.077 4.093 6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.350 1.470 6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.451 2.173 7.225 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.366 4.975 7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.884 4.193 8.223 1.00 0.00 H new ATOM 556 N CYS A 38 -8.997 3.382 2.629 1.00 0.00 N ATOM 557 CA CYS A 38 -7.712 4.044 2.236 1.00 0.00 C ATOM 558 C CYS A 38 -6.521 3.166 2.641 1.00 0.00 C ATOM 559 O CYS A 38 -6.479 2.644 3.737 1.00 0.00 O ATOM 560 CB CYS A 38 -7.600 5.398 2.941 1.00 0.00 C ATOM 561 SG CYS A 38 -8.241 6.848 2.072 1.00 0.00 S ATOM 0 H CYS A 38 -9.583 3.907 3.279 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.703 4.186 1.155 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.118 5.323 3.897 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.548 5.576 3.162 1.00 0.00 H new ATOM 566 N GLU A 39 -5.576 3.018 1.747 1.00 0.00 N ATOM 567 CA GLU A 39 -4.386 2.174 2.079 1.00 0.00 C ATOM 568 C GLU A 39 -3.350 2.229 0.949 1.00 0.00 C ATOM 569 O GLU A 39 -3.520 2.939 -0.021 1.00 0.00 O ATOM 570 CB GLU A 39 -4.836 0.729 2.285 1.00 0.00 C ATOM 571 CG GLU A 39 -4.433 0.274 3.690 1.00 0.00 C ATOM 572 CD GLU A 39 -4.860 -1.181 3.894 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.326 -2.008 3.175 1.00 0.00 O ATOM 574 OE2 GLU A 39 -5.698 -1.382 4.759 1.00 0.00 O ATOM 0 H GLU A 39 -5.574 3.437 0.817 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.927 2.557 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.916 0.650 2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.380 0.083 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.355 0.370 3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.903 0.911 4.439 1.00 0.00 H new ATOM 581 N CYS A 40 -2.295 1.473 1.106 1.00 0.00 N ATOM 582 CA CYS A 40 -1.231 1.464 0.059 1.00 0.00 C ATOM 583 C CYS A 40 -1.763 0.849 -1.240 1.00 0.00 C ATOM 584 O CYS A 40 -2.829 0.267 -1.261 1.00 0.00 O ATOM 585 CB CYS A 40 -0.045 0.645 0.562 1.00 0.00 C ATOM 586 SG CYS A 40 1.613 1.277 0.206 1.00 0.00 S ATOM 0 H CYS A 40 -2.125 0.866 1.908 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.920 2.489 -0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.141 0.541 1.643 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.122 -0.356 0.138 1.00 0.00 H new ATOM 591 N ILE A 41 -1.000 0.990 -2.295 1.00 0.00 N ATOM 592 CA ILE A 41 -1.438 0.430 -3.613 1.00 0.00 C ATOM 593 C ILE A 41 -0.255 -0.256 -4.314 1.00 0.00 C ATOM 594 O ILE A 41 0.611 0.400 -4.858 1.00 0.00 O ATOM 595 CB ILE A 41 -1.957 1.572 -4.490 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.042 2.346 -3.730 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.555 0.994 -5.774 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.411 3.563 -3.041 1.00 0.00 C ATOM 0 H ILE A 41 -0.098 1.466 -2.303 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.227 -0.305 -3.450 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.135 2.243 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.824 2.668 -4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.515 1.700 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.925 1.806 -6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.788 0.439 -6.315 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.378 0.325 -5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.180 4.114 -2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.645 3.228 -2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.959 4.212 -3.791 1.00 0.00 H new ATOM 610 N ALA A 42 -0.250 -1.561 -4.293 1.00 0.00 N ATOM 611 CA ALA A 42 0.871 -2.303 -4.950 1.00 0.00 C ATOM 612 C ALA A 42 0.721 -2.269 -6.475 1.00 0.00 C ATOM 613 O ALA A 42 1.678 -2.047 -7.191 1.00 0.00 O ATOM 614 CB ALA A 42 0.854 -3.755 -4.474 1.00 0.00 C ATOM 0 H ALA A 42 -0.964 -2.143 -3.855 1.00 0.00 H new ATOM 0 HA ALA A 42 1.815 -1.828 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.668 -4.303 -4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.979 -3.785 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.097 -4.215 -4.742 1.00 0.00 H new ATOM 620 N SER A 43 -0.478 -2.486 -6.937 1.00 0.00 N ATOM 621 CA SER A 43 -0.708 -2.484 -8.412 1.00 0.00 C ATOM 622 C SER A 43 -0.324 -1.130 -9.016 1.00 0.00 C ATOM 623 O SER A 43 -0.394 -0.944 -10.214 1.00 0.00 O ATOM 624 CB SER A 43 -2.186 -2.761 -8.684 1.00 0.00 C ATOM 625 OG SER A 43 -2.445 -2.090 -9.909 1.00 0.00 O ATOM 0 H SER A 43 -1.304 -2.663 -6.365 1.00 0.00 H new ATOM 0 HA SER A 43 -0.089 -3.256 -8.869 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.383 -3.830 -8.766 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.817 -2.381 -7.880 1.00 0.00 H new ATOM 0 HG SER A 43 -1.642 -2.113 -10.471 1.00 0.00 H new ATOM 631 N ALA A 44 0.080 -0.215 -8.173 1.00 0.00 N ATOM 632 CA ALA A 44 0.469 1.135 -8.684 1.00 0.00 C ATOM 633 C ALA A 44 1.996 1.264 -8.743 1.00 0.00 C ATOM 634 O ALA A 44 2.539 1.763 -9.710 1.00 0.00 O ATOM 635 CB ALA A 44 -0.095 2.200 -7.751 1.00 0.00 C ATOM 0 H ALA A 44 0.157 -0.341 -7.164 1.00 0.00 H new ATOM 0 HA ALA A 44 0.068 1.267 -9.689 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.184 3.188 -8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.181 2.118 -7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.309 2.056 -6.749 1.00 0.00 H new ATOM 641 N GLY A 45 2.651 0.810 -7.706 1.00 0.00 N ATOM 642 CA GLY A 45 4.145 0.896 -7.676 1.00 0.00 C ATOM 643 C GLY A 45 4.630 1.399 -6.313 1.00 0.00 C ATOM 644 O GLY A 45 5.693 1.980 -6.207 1.00 0.00 O ATOM 0 H GLY A 45 2.222 0.386 -6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.575 -0.084 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.492 1.567 -8.462 1.00 0.00 H new ATOM 648 N PHE A 46 3.838 1.169 -5.297 1.00 0.00 N ATOM 649 CA PHE A 46 4.240 1.624 -3.932 1.00 0.00 C ATOM 650 C PHE A 46 4.779 0.443 -3.120 1.00 0.00 C ATOM 651 O PHE A 46 4.486 -0.701 -3.411 1.00 0.00 O ATOM 652 CB PHE A 46 3.026 2.216 -3.227 1.00 0.00 C ATOM 653 CG PHE A 46 2.691 3.569 -3.857 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.113 3.631 -5.111 1.00 0.00 C ATOM 655 CD2 PHE A 46 2.961 4.746 -3.183 1.00 0.00 C ATOM 656 CE1 PHE A 46 1.807 4.852 -5.681 1.00 0.00 C ATOM 657 CE2 PHE A 46 2.651 5.964 -3.756 1.00 0.00 C ATOM 658 CZ PHE A 46 2.077 6.015 -5.003 1.00 0.00 C ATOM 0 H PHE A 46 2.939 0.691 -5.352 1.00 0.00 H new ATOM 0 HA PHE A 46 5.023 2.378 -4.019 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.175 1.540 -3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.231 2.337 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.899 2.719 -5.649 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.416 4.713 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.355 4.892 -6.661 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.861 6.879 -3.222 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.838 6.969 -5.450 1.00 0.00 H new ATOM 668 N VAL A 47 5.556 0.745 -2.117 1.00 0.00 N ATOM 669 CA VAL A 47 6.134 -0.345 -1.272 1.00 0.00 C ATOM 670 C VAL A 47 6.156 0.075 0.194 1.00 0.00 C ATOM 671 O VAL A 47 6.137 1.251 0.504 1.00 0.00 O ATOM 672 CB VAL A 47 7.558 -0.633 -1.733 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.513 -1.243 -3.128 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.355 0.673 -1.777 1.00 0.00 C ATOM 0 H VAL A 47 5.816 1.693 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 47 5.518 -1.238 -1.375 1.00 0.00 H new ATOM 0 HB VAL A 47 8.036 -1.325 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.528 -1.453 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.941 -2.170 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.038 -0.543 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.373 0.467 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.881 1.365 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.379 1.118 -0.782 1.00 0.00 H new ATOM 684 N ARG A 48 6.199 -0.895 1.065 1.00 0.00 N ATOM 685 CA ARG A 48 6.224 -0.575 2.519 1.00 0.00 C ATOM 686 C ARG A 48 7.652 -0.680 3.062 1.00 0.00 C ATOM 687 O ARG A 48 8.306 -1.691 2.906 1.00 0.00 O ATOM 688 CB ARG A 48 5.321 -1.555 3.262 1.00 0.00 C ATOM 689 CG ARG A 48 3.995 -1.681 2.510 1.00 0.00 C ATOM 690 CD ARG A 48 2.939 -2.272 3.448 1.00 0.00 C ATOM 691 NE ARG A 48 2.577 -1.253 4.472 1.00 0.00 N ATOM 692 CZ ARG A 48 2.736 -1.530 5.738 1.00 0.00 C ATOM 693 NH1 ARG A 48 3.789 -2.206 6.108 1.00 0.00 N ATOM 694 NH2 ARG A 48 1.836 -1.121 6.590 1.00 0.00 N ATOM 0 H ARG A 48 6.218 -1.889 0.835 1.00 0.00 H new ATOM 0 HA ARG A 48 5.867 0.444 2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.805 -2.529 3.338 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.145 -1.207 4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.673 -0.704 2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.119 -2.318 1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.056 -2.568 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.324 -3.170 3.930 1.00 0.00 H new ATOM 0 HE ARG A 48 2.208 -0.346 4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.471 -2.509 5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.930 -2.432 7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.026 -0.595 6.263 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.943 -1.328 7.583 1.00 0.00 H new ATOM 708 N ASP A 49 8.104 0.371 3.690 1.00 0.00 N ATOM 709 CA ASP A 49 9.483 0.350 4.254 1.00 0.00 C ATOM 710 C ASP A 49 9.516 -0.519 5.511 1.00 0.00 C ATOM 711 O ASP A 49 8.509 -0.691 6.173 1.00 0.00 O ATOM 712 CB ASP A 49 9.903 1.774 4.609 1.00 0.00 C ATOM 713 CG ASP A 49 11.429 1.845 4.690 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.936 1.431 5.720 1.00 0.00 O ATOM 715 OD2 ASP A 49 12.002 2.310 3.719 1.00 0.00 O ATOM 0 H ASP A 49 7.583 1.236 3.836 1.00 0.00 H new ATOM 0 HA ASP A 49 10.170 -0.063 3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.534 2.472 3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.463 2.069 5.562 1.00 0.00 H new ATOM 720 N ALA A 50 10.677 -1.036 5.819 1.00 0.00 N ATOM 721 CA ALA A 50 10.802 -1.906 7.024 1.00 0.00 C ATOM 722 C ALA A 50 10.056 -1.281 8.196 1.00 0.00 C ATOM 723 O ALA A 50 9.607 -1.968 9.092 1.00 0.00 O ATOM 724 CB ALA A 50 12.280 -2.058 7.380 1.00 0.00 C ATOM 0 H ALA A 50 11.538 -0.894 5.292 1.00 0.00 H new ATOM 0 HA ALA A 50 10.371 -2.884 6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.379 -2.693 8.260 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.811 -2.512 6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.706 -1.077 7.591 1.00 0.00 H new ATOM 730 N GLN A 51 9.938 0.015 8.165 1.00 0.00 N ATOM 731 CA GLN A 51 9.216 0.709 9.267 1.00 0.00 C ATOM 732 C GLN A 51 7.707 0.633 9.019 1.00 0.00 C ATOM 733 O GLN A 51 6.951 1.444 9.516 1.00 0.00 O ATOM 734 CB GLN A 51 9.655 2.171 9.314 1.00 0.00 C ATOM 735 CG GLN A 51 11.177 2.233 9.450 1.00 0.00 C ATOM 736 CD GLN A 51 11.583 3.612 9.968 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.890 4.509 9.208 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.597 3.826 11.256 1.00 0.00 N ATOM 0 H GLN A 51 10.306 0.621 7.432 1.00 0.00 H new ATOM 0 HA GLN A 51 9.448 0.228 10.217 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.337 2.688 8.409 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.182 2.679 10.154 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.524 1.458 10.134 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.648 2.041 8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.341 3.078 11.900 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.864 4.741 11.618 1.00 0.00 H new ATOM 747 N GLY A 52 7.303 -0.344 8.252 1.00 0.00 N ATOM 748 CA GLY A 52 5.854 -0.488 7.955 1.00 0.00 C ATOM 749 C GLY A 52 5.300 0.833 7.435 1.00 0.00 C ATOM 750 O GLY A 52 4.177 1.197 7.730 1.00 0.00 O ATOM 0 H GLY A 52 7.910 -1.042 7.823 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.701 -1.273 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.317 -0.789 8.855 1.00 0.00 H new ATOM 754 N ASN A 53 6.102 1.524 6.664 1.00 0.00 N ATOM 755 CA ASN A 53 5.650 2.844 6.114 1.00 0.00 C ATOM 756 C ASN A 53 5.376 2.736 4.610 1.00 0.00 C ATOM 757 O ASN A 53 6.255 2.422 3.838 1.00 0.00 O ATOM 758 CB ASN A 53 6.740 3.884 6.353 1.00 0.00 C ATOM 759 CG ASN A 53 6.584 4.465 7.759 1.00 0.00 C ATOM 760 OD1 ASN A 53 7.094 3.819 8.769 1.00 0.00 O flip ATOM 761 ND2 ASN A 53 5.998 5.512 7.949 1.00 0.00 N flip ATOM 0 H ASN A 53 7.042 1.237 6.392 1.00 0.00 H new ATOM 0 HA ASN A 53 4.730 3.140 6.618 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.724 3.428 6.242 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.671 4.678 5.609 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.597 6.022 7.162 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.907 5.881 8.896 1.00 0.00 H new ATOM 768 N CYS A 54 4.160 3.012 4.231 1.00 0.00 N ATOM 769 CA CYS A 54 3.806 2.935 2.782 1.00 0.00 C ATOM 770 C CYS A 54 4.403 4.127 2.028 1.00 0.00 C ATOM 771 O CYS A 54 4.036 5.261 2.266 1.00 0.00 O ATOM 772 CB CYS A 54 2.283 2.946 2.640 1.00 0.00 C ATOM 773 SG CYS A 54 1.602 3.143 0.975 1.00 0.00 S ATOM 0 H CYS A 54 3.400 3.286 4.854 1.00 0.00 H new ATOM 0 HA CYS A 54 4.211 2.016 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.900 2.013 3.052 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.893 3.752 3.261 1.00 0.00 H new ATOM 778 N ILE A 55 5.316 3.844 1.133 1.00 0.00 N ATOM 779 CA ILE A 55 5.954 4.952 0.358 1.00 0.00 C ATOM 780 C ILE A 55 6.181 4.530 -1.097 1.00 0.00 C ATOM 781 O ILE A 55 6.217 3.357 -1.408 1.00 0.00 O ATOM 782 CB ILE A 55 7.300 5.302 1.002 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.187 4.048 1.031 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.065 5.787 2.434 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.516 4.384 1.713 1.00 0.00 C ATOM 0 H ILE A 55 5.644 2.905 0.907 1.00 0.00 H new ATOM 0 HA ILE A 55 5.294 5.819 0.370 1.00 0.00 H new ATOM 0 HB ILE A 55 7.790 6.087 0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.683 3.244 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.366 3.691 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.021 6.037 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.427 6.671 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.579 4.999 3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.148 3.496 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.020 5.175 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.327 4.721 2.732 1.00 0.00 H new ATOM 797 N LYS A 56 6.330 5.503 -1.953 1.00 0.00 N ATOM 798 CA LYS A 56 6.556 5.186 -3.396 1.00 0.00 C ATOM 799 C LYS A 56 7.799 4.298 -3.555 1.00 0.00 C ATOM 800 O LYS A 56 8.595 4.174 -2.646 1.00 0.00 O ATOM 801 CB LYS A 56 6.777 6.489 -4.169 1.00 0.00 C ATOM 802 CG LYS A 56 6.023 7.629 -3.478 1.00 0.00 C ATOM 803 CD LYS A 56 5.680 8.702 -4.511 1.00 0.00 C ATOM 804 CE LYS A 56 5.315 9.999 -3.784 1.00 0.00 C ATOM 805 NZ LYS A 56 6.450 10.455 -2.932 1.00 0.00 N ATOM 0 H LYS A 56 6.306 6.496 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 56 5.684 4.659 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.841 6.720 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.428 6.378 -5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.113 7.250 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.634 8.055 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.528 8.869 -5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.848 8.373 -5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.064 10.772 -4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.430 9.841 -3.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.415 11.490 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.378 10.014 -1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.350 10.180 -3.376 1.00 0.00 H new ATOM 819 N PHE A 57 7.936 3.701 -4.710 1.00 0.00 N ATOM 820 CA PHE A 57 9.125 2.828 -4.948 1.00 0.00 C ATOM 821 C PHE A 57 10.403 3.675 -4.968 1.00 0.00 C ATOM 822 O PHE A 57 11.432 3.263 -4.475 1.00 0.00 O ATOM 823 CB PHE A 57 8.969 2.121 -6.292 1.00 0.00 C ATOM 824 CG PHE A 57 9.187 0.618 -6.107 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.450 0.118 -5.843 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.122 -0.261 -6.205 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.642 -1.239 -5.678 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.319 -1.617 -6.040 1.00 0.00 C ATOM 829 CZ PHE A 57 9.578 -2.103 -5.776 1.00 0.00 C ATOM 0 H PHE A 57 7.285 3.778 -5.491 1.00 0.00 H new ATOM 0 HA PHE A 57 9.195 2.093 -4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.976 2.308 -6.700 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.688 2.518 -7.009 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.290 0.793 -5.766 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.131 0.116 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.630 -1.622 -5.471 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.484 -2.297 -6.118 1.00 0.00 H new ATOM 0 HZ PHE A 57 9.731 -3.164 -5.646 1.00 0.00 H new ATOM 839 N GLU A 58 10.305 4.846 -5.541 1.00 0.00 N ATOM 840 CA GLU A 58 11.503 5.734 -5.609 1.00 0.00 C ATOM 841 C GLU A 58 12.037 6.021 -4.200 1.00 0.00 C ATOM 842 O GLU A 58 13.224 6.188 -4.006 1.00 0.00 O ATOM 843 CB GLU A 58 11.112 7.047 -6.284 1.00 0.00 C ATOM 844 CG GLU A 58 11.778 7.122 -7.660 1.00 0.00 C ATOM 845 CD GLU A 58 13.290 7.279 -7.484 1.00 0.00 C ATOM 846 OE1 GLU A 58 13.722 7.110 -6.357 1.00 0.00 O ATOM 847 OE2 GLU A 58 13.924 7.561 -8.487 1.00 0.00 O ATOM 0 H GLU A 58 9.456 5.223 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 58 12.285 5.237 -6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.029 7.108 -6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.422 7.892 -5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.559 6.220 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.377 7.963 -8.225 1.00 0.00 H new ATOM 854 N ASP A 59 11.146 6.072 -3.248 1.00 0.00 N ATOM 855 CA ASP A 59 11.585 6.350 -1.849 1.00 0.00 C ATOM 856 C ASP A 59 12.143 5.073 -1.209 1.00 0.00 C ATOM 857 O ASP A 59 12.317 5.002 -0.009 1.00 0.00 O ATOM 858 CB ASP A 59 10.391 6.846 -1.038 1.00 0.00 C ATOM 859 CG ASP A 59 9.824 8.106 -1.693 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.293 7.960 -2.781 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.956 9.148 -1.068 1.00 0.00 O ATOM 0 H ASP A 59 10.143 5.935 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 59 12.366 7.110 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.625 6.072 -0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.696 7.060 -0.014 1.00 0.00 H new ATOM 866 N CYS A 60 12.411 4.095 -2.029 1.00 0.00 N ATOM 867 CA CYS A 60 12.956 2.815 -1.490 1.00 0.00 C ATOM 868 C CYS A 60 14.200 3.099 -0.616 1.00 0.00 C ATOM 869 O CYS A 60 14.810 4.144 -0.736 1.00 0.00 O ATOM 870 CB CYS A 60 13.354 1.924 -2.668 1.00 0.00 C ATOM 871 SG CYS A 60 12.229 0.580 -3.113 1.00 0.00 S ATOM 0 H CYS A 60 12.278 4.124 -3.040 1.00 0.00 H new ATOM 0 HA CYS A 60 12.201 2.320 -0.879 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.481 2.560 -3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.328 1.488 -2.446 1.00 0.00 H new