USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 545 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 17:sc= -1.88! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 101:sc= 1.15 USER MOD Single : A 34 ASN : amide:sc= -3.55! C(o=-3.6!,f=-8!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0871 USER MOD Single : A 40 SER OG : rot -2:sc= 0.381 USER MOD Single : A 42 ASN : amide:sc= -4.9! C(o=-4.9!,f=-6.5!) USER MOD Single : A 43 HIS : no HD1:sc= -18.6! C(o=-19!,f=-19!) USER MOD Single : A 44 SER OG : rot -98:sc= 0.149 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 54 SER OG : rot 180:sc= -0.759 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.077) USER MOD Single : A 61 TYR OH : rot -16:sc= -0.367 USER MOD Single : A 64 THR OG1 : rot -103:sc= 0.119 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -18:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 5 8.938 4.125 -1.507 1.00 0.00 N ATOM 70 CA PRO A 5 7.725 4.942 -1.250 1.00 0.00 C ATOM 71 C PRO A 5 7.479 5.056 0.257 1.00 0.00 C ATOM 72 O PRO A 5 8.373 4.880 1.060 1.00 0.00 O ATOM 73 CB PRO A 5 6.612 4.137 -1.920 1.00 0.00 C ATOM 74 CG PRO A 5 7.120 2.734 -1.932 1.00 0.00 C ATOM 75 CD PRO A 5 8.608 2.819 -2.091 1.00 0.00 C ATOM 0 HA PRO A 5 7.798 5.961 -1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.677 4.216 -1.366 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.415 4.496 -2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.858 2.219 -1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.675 2.168 -2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.115 2.006 -1.571 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.904 2.761 -3.138 1.00 0.00 H new ATOM 83 N ALA A 6 6.269 5.341 0.643 1.00 0.00 N ATOM 84 CA ALA A 6 5.944 5.460 2.087 1.00 0.00 C ATOM 85 C ALA A 6 4.942 4.373 2.486 1.00 0.00 C ATOM 86 O ALA A 6 5.071 3.742 3.515 1.00 0.00 O ATOM 87 CB ALA A 6 5.325 6.850 2.246 1.00 0.00 C ATOM 0 H ALA A 6 5.483 5.498 0.012 1.00 0.00 H new ATOM 0 HA ALA A 6 6.821 5.336 2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.058 7.012 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.045 7.607 1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.431 6.923 1.627 1.00 0.00 H new ATOM 93 N ILE A 7 3.944 4.152 1.674 1.00 0.00 N ATOM 94 CA ILE A 7 2.931 3.101 2.000 1.00 0.00 C ATOM 95 C ILE A 7 3.624 1.759 2.259 1.00 0.00 C ATOM 96 O ILE A 7 3.247 1.013 3.139 1.00 0.00 O ATOM 97 CB ILE A 7 2.006 3.010 0.767 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.321 1.637 0.718 1.00 0.00 C ATOM 99 CG2 ILE A 7 2.814 3.193 -0.519 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.683 1.319 2.069 1.00 0.00 C ATOM 0 H ILE A 7 3.784 4.652 0.799 1.00 0.00 H new ATOM 0 HA ILE A 7 2.368 3.347 2.900 1.00 0.00 H new ATOM 0 HB ILE A 7 1.257 3.797 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.560 1.629 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.049 0.868 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.148 3.126 -1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.297 4.170 -0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.573 2.413 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.200 0.343 2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.452 1.307 2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.059 2.080 2.309 1.00 0.00 H new ATOM 112 N TYR A 8 4.630 1.449 1.497 1.00 0.00 N ATOM 113 CA TYR A 8 5.340 0.153 1.694 1.00 0.00 C ATOM 114 C TYR A 8 5.923 0.076 3.106 1.00 0.00 C ATOM 115 O TYR A 8 6.009 -0.984 3.694 1.00 0.00 O ATOM 116 CB TYR A 8 6.440 0.145 0.635 1.00 0.00 C ATOM 117 CG TYR A 8 5.817 -0.183 -0.699 1.00 0.00 C ATOM 118 CD1 TYR A 8 5.141 0.809 -1.418 1.00 0.00 C ATOM 119 CD2 TYR A 8 5.899 -1.482 -1.207 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.551 0.505 -2.647 1.00 0.00 C ATOM 121 CE2 TYR A 8 5.305 -1.790 -2.436 1.00 0.00 C ATOM 122 CZ TYR A 8 4.631 -0.797 -3.157 1.00 0.00 C ATOM 123 OH TYR A 8 4.045 -1.100 -4.370 1.00 0.00 O ATOM 0 H TYR A 8 4.994 2.035 0.745 1.00 0.00 H new ATOM 0 HA TYR A 8 4.679 -0.707 1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.934 1.116 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.204 -0.591 0.888 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.075 1.812 -1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.420 -2.248 -0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.034 1.273 -3.203 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.367 -2.794 -2.829 1.00 0.00 H new ATOM 0 HH TYR A 8 4.194 -2.046 -4.578 1.00 0.00 H new ATOM 133 N ILE A 9 6.310 1.189 3.663 1.00 0.00 N ATOM 134 CA ILE A 9 6.868 1.169 5.044 1.00 0.00 C ATOM 135 C ILE A 9 5.739 0.924 6.046 1.00 0.00 C ATOM 136 O ILE A 9 4.632 1.394 5.874 1.00 0.00 O ATOM 137 CB ILE A 9 7.480 2.554 5.250 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.546 2.805 4.180 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.125 2.627 6.636 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.888 4.296 4.139 1.00 0.00 C ATOM 0 H ILE A 9 6.265 2.109 3.224 1.00 0.00 H new ATOM 0 HA ILE A 9 7.607 0.381 5.186 1.00 0.00 H new ATOM 0 HB ILE A 9 6.699 3.310 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.440 2.222 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.183 2.478 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.561 3.615 6.783 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.368 2.448 7.399 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.906 1.870 6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.647 4.474 3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.992 4.868 3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.269 4.609 5.111 1.00 0.00 H new ATOM 152 N GLY A 10 6.004 0.184 7.085 1.00 0.00 N ATOM 153 CA GLY A 10 4.936 -0.095 8.084 1.00 0.00 C ATOM 154 C GLY A 10 3.744 -0.722 7.365 1.00 0.00 C ATOM 155 O GLY A 10 2.603 -0.478 7.703 1.00 0.00 O ATOM 0 H GLY A 10 6.910 -0.239 7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.308 -0.768 8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.635 0.826 8.582 1.00 0.00 H new ATOM 159 N ALA A 11 4.001 -1.522 6.365 1.00 0.00 N ATOM 160 CA ALA A 11 2.876 -2.157 5.615 1.00 0.00 C ATOM 161 C ALA A 11 3.070 -3.675 5.533 1.00 0.00 C ATOM 162 O ALA A 11 3.832 -4.252 6.282 1.00 0.00 O ATOM 163 CB ALA A 11 2.928 -1.528 4.223 1.00 0.00 C ATOM 0 H ALA A 11 4.936 -1.763 6.035 1.00 0.00 H new ATOM 0 HA ALA A 11 1.914 -1.995 6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.130 -1.943 3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.799 -0.449 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.892 -1.743 3.762 1.00 0.00 H new ATOM 169 N THR A 12 2.380 -4.325 4.633 1.00 0.00 N ATOM 170 CA THR A 12 2.526 -5.808 4.515 1.00 0.00 C ATOM 171 C THR A 12 2.276 -6.250 3.072 1.00 0.00 C ATOM 172 O THR A 12 1.167 -6.553 2.699 1.00 0.00 O ATOM 173 CB THR A 12 1.449 -6.387 5.436 1.00 0.00 C ATOM 174 OG1 THR A 12 1.860 -6.250 6.790 1.00 0.00 O ATOM 175 CG2 THR A 12 1.234 -7.867 5.111 1.00 0.00 C ATOM 0 H THR A 12 1.725 -3.898 3.978 1.00 0.00 H new ATOM 0 HA THR A 12 3.526 -6.145 4.787 1.00 0.00 H new ATOM 0 HB THR A 12 0.514 -5.847 5.284 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.582 -5.590 6.847 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.467 -8.276 5.768 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.915 -7.969 4.074 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.167 -8.411 5.259 1.00 0.00 H new ATOM 183 N VAL A 13 3.293 -6.296 2.260 1.00 0.00 N ATOM 184 CA VAL A 13 3.089 -6.719 0.843 1.00 0.00 C ATOM 185 C VAL A 13 3.085 -8.247 0.739 1.00 0.00 C ATOM 186 O VAL A 13 2.941 -8.946 1.722 1.00 0.00 O ATOM 187 CB VAL A 13 4.276 -6.128 0.076 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.496 -4.678 0.510 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.536 -6.943 0.378 1.00 0.00 C ATOM 0 H VAL A 13 4.253 -6.061 2.512 1.00 0.00 H new ATOM 0 HA VAL A 13 2.135 -6.374 0.444 1.00 0.00 H new ATOM 0 HB VAL A 13 4.067 -6.160 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.341 -4.259 -0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.600 -4.095 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.704 -4.646 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.381 -6.523 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.743 -6.910 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.383 -7.977 0.069 1.00 0.00 H new ATOM 199 N GLY A 14 3.240 -8.768 -0.448 1.00 0.00 N ATOM 200 CA GLY A 14 3.246 -10.249 -0.617 1.00 0.00 C ATOM 201 C GLY A 14 4.666 -10.722 -0.927 1.00 0.00 C ATOM 202 O GLY A 14 5.618 -9.988 -0.752 1.00 0.00 O ATOM 0 H GLY A 14 3.363 -8.232 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.881 -10.730 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.572 -10.536 -1.424 1.00 0.00 H new ATOM 206 N PRO A 15 4.759 -11.942 -1.382 1.00 0.00 N ATOM 207 CA PRO A 15 6.077 -12.529 -1.725 1.00 0.00 C ATOM 208 C PRO A 15 6.611 -11.915 -3.022 1.00 0.00 C ATOM 209 O PRO A 15 7.770 -11.565 -3.123 1.00 0.00 O ATOM 210 CB PRO A 15 5.770 -14.013 -1.909 1.00 0.00 C ATOM 211 CG PRO A 15 4.318 -14.069 -2.266 1.00 0.00 C ATOM 212 CD PRO A 15 3.656 -12.880 -1.618 1.00 0.00 C ATOM 0 HA PRO A 15 6.840 -12.349 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.386 -14.449 -2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.974 -14.574 -0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.186 -14.041 -3.348 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.870 -14.998 -1.914 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.895 -12.445 -2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.162 -13.157 -0.687 1.00 0.00 H new ATOM 220 N SER A 16 5.774 -11.780 -4.014 1.00 0.00 N ATOM 221 CA SER A 16 6.233 -11.186 -5.303 1.00 0.00 C ATOM 222 C SER A 16 6.632 -9.723 -5.096 1.00 0.00 C ATOM 223 O SER A 16 7.698 -9.296 -5.496 1.00 0.00 O ATOM 224 CB SER A 16 5.029 -11.287 -6.238 1.00 0.00 C ATOM 225 OG SER A 16 4.724 -12.657 -6.465 1.00 0.00 O ATOM 0 H SER A 16 4.792 -12.055 -3.988 1.00 0.00 H new ATOM 0 HA SER A 16 7.105 -11.699 -5.708 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.170 -10.779 -5.800 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.245 -10.789 -7.183 1.00 0.00 H new ATOM 0 HG SER A 16 3.951 -12.725 -7.063 1.00 0.00 H new ATOM 231 N VAL A 17 5.785 -8.951 -4.470 1.00 0.00 N ATOM 232 CA VAL A 17 6.120 -7.518 -4.237 1.00 0.00 C ATOM 233 C VAL A 17 7.387 -7.411 -3.389 1.00 0.00 C ATOM 234 O VAL A 17 8.312 -6.702 -3.726 1.00 0.00 O ATOM 235 CB VAL A 17 4.921 -6.945 -3.482 1.00 0.00 C ATOM 236 CG1 VAL A 17 5.279 -5.568 -2.923 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.733 -6.814 -4.437 1.00 0.00 C ATOM 0 H VAL A 17 4.878 -9.250 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 17 6.308 -6.980 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 17 4.657 -7.612 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.423 -5.160 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.125 -5.660 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.544 -4.900 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.877 -6.405 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.998 -6.148 -5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.476 -7.796 -4.835 1.00 0.00 H new ATOM 247 N TRP A 18 7.442 -8.117 -2.295 1.00 0.00 N ATOM 248 CA TRP A 18 8.657 -8.055 -1.436 1.00 0.00 C ATOM 249 C TRP A 18 9.909 -8.180 -2.304 1.00 0.00 C ATOM 250 O TRP A 18 10.712 -7.273 -2.391 1.00 0.00 O ATOM 251 CB TRP A 18 8.541 -9.251 -0.493 1.00 0.00 C ATOM 252 CG TRP A 18 9.716 -9.269 0.430 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.909 -9.847 0.159 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.833 -8.696 1.764 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.751 -9.664 1.242 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.133 -8.959 2.256 1.00 0.00 C ATOM 257 CE3 TRP A 18 8.945 -7.977 2.586 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.538 -8.527 3.519 1.00 0.00 C ATOM 259 CZ3 TRP A 18 9.350 -7.541 3.858 1.00 0.00 C ATOM 260 CH2 TRP A 18 10.644 -7.815 4.323 1.00 0.00 C ATOM 0 H TRP A 18 6.701 -8.732 -1.959 1.00 0.00 H new ATOM 0 HA TRP A 18 8.732 -7.115 -0.889 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.615 -9.189 0.079 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.500 -10.177 -1.066 1.00 0.00 H new ATOM 0 HD1 TRP A 18 11.163 -10.366 -0.753 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.710 -10.008 1.286 1.00 0.00 H new ATOM 0 HE3 TRP A 18 7.947 -7.759 2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.536 -8.741 3.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 8.661 -6.991 4.482 1.00 0.00 H new ATOM 0 HH2 TRP A 18 10.950 -7.476 5.302 1.00 0.00 H new ATOM 271 N ALA A 19 10.079 -9.301 -2.948 1.00 0.00 N ATOM 272 CA ALA A 19 11.277 -9.493 -3.814 1.00 0.00 C ATOM 273 C ALA A 19 11.530 -8.243 -4.659 1.00 0.00 C ATOM 274 O ALA A 19 12.651 -7.799 -4.811 1.00 0.00 O ATOM 275 CB ALA A 19 10.931 -10.685 -4.707 1.00 0.00 C ATOM 0 H ALA A 19 9.439 -10.094 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 19 12.182 -9.667 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.765 -10.892 -5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.738 -11.560 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.042 -10.454 -5.295 1.00 0.00 H new ATOM 281 N TYR A 20 10.497 -7.672 -5.212 1.00 0.00 N ATOM 282 CA TYR A 20 10.678 -6.450 -6.049 1.00 0.00 C ATOM 283 C TYR A 20 11.312 -5.331 -5.221 1.00 0.00 C ATOM 284 O TYR A 20 12.431 -4.920 -5.465 1.00 0.00 O ATOM 285 CB TYR A 20 9.268 -6.054 -6.485 1.00 0.00 C ATOM 286 CG TYR A 20 9.335 -4.806 -7.331 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.885 -4.860 -8.618 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.847 -3.594 -6.828 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.946 -3.702 -9.401 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.910 -2.435 -7.612 1.00 0.00 C ATOM 291 CZ TYR A 20 9.459 -2.489 -8.898 1.00 0.00 C ATOM 292 OH TYR A 20 9.519 -1.347 -9.672 1.00 0.00 O ATOM 0 H TYR A 20 9.535 -7.997 -5.122 1.00 0.00 H new ATOM 0 HA TYR A 20 11.334 -6.629 -6.901 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.809 -6.865 -7.050 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.641 -5.880 -5.611 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.262 -5.795 -9.006 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.422 -3.553 -5.836 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.369 -3.744 -10.394 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.535 -1.500 -7.224 1.00 0.00 H new ATOM 0 HH TYR A 20 9.138 -0.594 -9.174 1.00 0.00 H new ATOM 302 N LEU A 21 10.601 -4.834 -4.247 1.00 0.00 N ATOM 303 CA LEU A 21 11.151 -3.740 -3.396 1.00 0.00 C ATOM 304 C LEU A 21 12.626 -4.003 -3.085 1.00 0.00 C ATOM 305 O LEU A 21 13.466 -3.140 -3.247 1.00 0.00 O ATOM 306 CB LEU A 21 10.318 -3.782 -2.115 1.00 0.00 C ATOM 307 CG LEU A 21 10.484 -2.466 -1.354 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.527 -2.442 -0.162 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.925 -2.346 -0.853 1.00 0.00 C ATOM 0 H LEU A 21 9.659 -5.139 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 21 11.099 -2.768 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.268 -3.944 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.634 -4.618 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 21 10.258 -1.631 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.645 -1.504 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.500 -2.529 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.752 -3.276 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.045 -1.408 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.150 -3.181 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.608 -2.363 -1.702 1.00 0.00 H new ATOM 321 N VAL A 22 12.950 -5.188 -2.647 1.00 0.00 N ATOM 322 CA VAL A 22 14.372 -5.501 -2.335 1.00 0.00 C ATOM 323 C VAL A 22 15.265 -5.066 -3.496 1.00 0.00 C ATOM 324 O VAL A 22 16.242 -4.367 -3.316 1.00 0.00 O ATOM 325 CB VAL A 22 14.419 -7.019 -2.159 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.867 -7.465 -1.951 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.585 -7.416 -0.938 1.00 0.00 C ATOM 0 H VAL A 22 12.292 -5.952 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 22 14.726 -4.982 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 22 14.015 -7.500 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.900 -8.547 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.463 -7.182 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.271 -6.984 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.618 -8.498 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.990 -6.934 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.552 -7.099 -1.084 1.00 0.00 H new ATOM 337 N ALA A 23 14.930 -5.470 -4.688 1.00 0.00 N ATOM 338 CA ALA A 23 15.752 -5.075 -5.867 1.00 0.00 C ATOM 339 C ALA A 23 15.938 -3.556 -5.886 1.00 0.00 C ATOM 340 O ALA A 23 17.018 -3.056 -6.130 1.00 0.00 O ATOM 341 CB ALA A 23 14.948 -5.535 -7.084 1.00 0.00 C ATOM 0 H ALA A 23 14.123 -6.057 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 23 16.747 -5.519 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.489 -5.279 -7.995 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.804 -6.614 -7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.977 -5.039 -7.087 1.00 0.00 H new ATOM 347 N LEU A 24 14.892 -2.819 -5.625 1.00 0.00 N ATOM 348 CA LEU A 24 15.008 -1.334 -5.622 1.00 0.00 C ATOM 349 C LEU A 24 16.029 -0.890 -4.570 1.00 0.00 C ATOM 350 O LEU A 24 16.837 -0.013 -4.805 1.00 0.00 O ATOM 351 CB LEU A 24 13.611 -0.831 -5.261 1.00 0.00 C ATOM 352 CG LEU A 24 13.391 0.555 -5.869 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.164 0.424 -7.377 1.00 0.00 C ATOM 354 CD2 LEU A 24 12.162 1.204 -5.225 1.00 0.00 C ATOM 0 H LEU A 24 13.962 -3.182 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 24 15.347 -0.941 -6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.857 -1.525 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.499 -0.786 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 24 14.270 1.174 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.007 1.413 -7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.037 -0.039 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.286 -0.195 -7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.004 2.192 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.285 0.583 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.322 1.299 -4.151 1.00 0.00 H new ATOM 366 N VAL A 25 15.998 -1.494 -3.414 1.00 0.00 N ATOM 367 CA VAL A 25 16.966 -1.114 -2.342 1.00 0.00 C ATOM 368 C VAL A 25 17.718 -2.360 -1.848 1.00 0.00 C ATOM 369 O VAL A 25 18.781 -2.684 -2.338 1.00 0.00 O ATOM 370 CB VAL A 25 16.118 -0.483 -1.221 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.758 -1.180 -1.118 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.850 -0.604 0.116 1.00 0.00 C ATOM 0 H VAL A 25 15.344 -2.235 -3.164 1.00 0.00 H new ATOM 0 HA VAL A 25 17.723 -0.414 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 25 15.961 0.569 -1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.173 -0.721 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.225 -1.079 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.907 -2.237 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.245 -0.156 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 25 17.021 -1.656 0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.807 -0.086 0.055 1.00 0.00 H new ATOM 382 N GLY A 26 17.179 -3.059 -0.885 1.00 0.00 N ATOM 383 CA GLY A 26 17.869 -4.274 -0.372 1.00 0.00 C ATOM 384 C GLY A 26 17.122 -4.810 0.850 1.00 0.00 C ATOM 385 O GLY A 26 16.313 -4.126 1.443 1.00 0.00 O ATOM 0 H GLY A 26 16.291 -2.840 -0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.910 -5.037 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.899 -4.035 -0.106 1.00 0.00 H new ATOM 389 N ALA A 27 17.382 -6.031 1.227 1.00 0.00 N ATOM 390 CA ALA A 27 16.684 -6.612 2.407 1.00 0.00 C ATOM 391 C ALA A 27 16.982 -5.794 3.666 1.00 0.00 C ATOM 392 O ALA A 27 16.254 -5.848 4.637 1.00 0.00 O ATOM 393 CB ALA A 27 17.245 -8.029 2.541 1.00 0.00 C ATOM 0 H ALA A 27 18.049 -6.652 0.768 1.00 0.00 H new ATOM 0 HA ALA A 27 15.601 -6.610 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.779 -8.526 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.034 -8.592 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.323 -7.980 2.695 1.00 0.00 H new ATOM 399 N ALA A 28 18.046 -5.037 3.661 1.00 0.00 N ATOM 400 CA ALA A 28 18.378 -4.223 4.860 1.00 0.00 C ATOM 401 C ALA A 28 17.381 -3.075 5.001 1.00 0.00 C ATOM 402 O ALA A 28 16.642 -2.997 5.961 1.00 0.00 O ATOM 403 CB ALA A 28 19.787 -3.687 4.603 1.00 0.00 C ATOM 0 H ALA A 28 18.696 -4.949 2.880 1.00 0.00 H new ATOM 0 HA ALA A 28 18.331 -4.803 5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 28 20.103 -3.074 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.477 -4.522 4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.786 -3.082 3.696 1.00 0.00 H new ATOM 409 N ALA A 29 17.343 -2.190 4.045 1.00 0.00 N ATOM 410 CA ALA A 29 16.378 -1.060 4.126 1.00 0.00 C ATOM 411 C ALA A 29 14.955 -1.615 4.155 1.00 0.00 C ATOM 412 O ALA A 29 14.043 -0.994 4.665 1.00 0.00 O ATOM 413 CB ALA A 29 16.610 -0.237 2.859 1.00 0.00 C ATOM 0 H ALA A 29 17.936 -2.200 3.215 1.00 0.00 H new ATOM 0 HA ALA A 29 16.514 -0.454 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.931 0.616 2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.640 0.119 2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.424 -0.858 1.983 1.00 0.00 H new ATOM 419 N VAL A 30 14.763 -2.789 3.616 1.00 0.00 N ATOM 420 CA VAL A 30 13.404 -3.394 3.617 1.00 0.00 C ATOM 421 C VAL A 30 13.006 -3.767 5.049 1.00 0.00 C ATOM 422 O VAL A 30 11.854 -3.690 5.423 1.00 0.00 O ATOM 423 CB VAL A 30 13.526 -4.646 2.747 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.338 -5.575 3.011 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.533 -4.243 1.271 1.00 0.00 C ATOM 0 H VAL A 30 15.490 -3.353 3.176 1.00 0.00 H new ATOM 0 HA VAL A 30 12.642 -2.713 3.238 1.00 0.00 H new ATOM 0 HB VAL A 30 14.454 -5.164 2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.428 -6.466 2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.329 -5.865 4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.410 -5.057 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.620 -5.135 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.605 -3.723 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.379 -3.583 1.078 1.00 0.00 H new ATOM 435 N THR A 31 13.957 -4.170 5.851 1.00 0.00 N ATOM 436 CA THR A 31 13.636 -4.545 7.257 1.00 0.00 C ATOM 437 C THR A 31 13.434 -3.287 8.104 1.00 0.00 C ATOM 438 O THR A 31 12.507 -3.194 8.886 1.00 0.00 O ATOM 439 CB THR A 31 14.855 -5.330 7.745 1.00 0.00 C ATOM 440 OG1 THR A 31 15.146 -6.370 6.822 1.00 0.00 O ATOM 441 CG2 THR A 31 14.564 -5.931 9.121 1.00 0.00 C ATOM 0 H THR A 31 14.940 -4.255 5.592 1.00 0.00 H new ATOM 0 HA THR A 31 12.719 -5.129 7.331 1.00 0.00 H new ATOM 0 HB THR A 31 15.711 -4.660 7.821 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.891 -6.097 6.246 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.434 -6.489 9.466 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.343 -5.131 9.828 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.707 -6.601 9.052 1.00 0.00 H new ATOM 449 N ALA A 32 14.292 -2.315 7.954 1.00 0.00 N ATOM 450 CA ALA A 32 14.149 -1.062 8.749 1.00 0.00 C ATOM 451 C ALA A 32 12.894 -0.303 8.311 1.00 0.00 C ATOM 452 O ALA A 32 12.389 0.544 9.021 1.00 0.00 O ATOM 453 CB ALA A 32 15.405 -0.249 8.436 1.00 0.00 C ATOM 0 H ALA A 32 15.087 -2.334 7.315 1.00 0.00 H new ATOM 0 HA ALA A 32 14.047 -1.257 9.817 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.376 0.692 8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.288 -0.815 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.448 -0.044 7.366 1.00 0.00 H new ATOM 459 N ALA A 33 12.386 -0.602 7.148 1.00 0.00 N ATOM 460 CA ALA A 33 11.163 0.099 6.664 1.00 0.00 C ATOM 461 C ALA A 33 9.912 -0.643 7.141 1.00 0.00 C ATOM 462 O ALA A 33 8.852 -0.529 6.560 1.00 0.00 O ATOM 463 CB ALA A 33 11.261 0.062 5.139 1.00 0.00 C ATOM 0 H ALA A 33 12.765 -1.302 6.511 1.00 0.00 H new ATOM 0 HA ALA A 33 11.093 1.119 7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.393 0.560 4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.169 0.573 4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.290 -0.974 4.801 1.00 0.00 H new ATOM 469 N ASN A 34 10.032 -1.404 8.196 1.00 0.00 N ATOM 470 CA ASN A 34 8.857 -2.161 8.721 1.00 0.00 C ATOM 471 C ASN A 34 8.022 -2.731 7.568 1.00 0.00 C ATOM 472 O ASN A 34 6.918 -2.290 7.299 1.00 0.00 O ATOM 473 CB ASN A 34 8.051 -1.138 9.523 1.00 0.00 C ATOM 474 CG ASN A 34 6.871 -1.837 10.200 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.538 -2.956 9.863 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.219 -1.220 11.147 1.00 0.00 N ATOM 0 H ASN A 34 10.897 -1.535 8.720 1.00 0.00 H new ATOM 0 HA ASN A 34 9.158 -3.011 9.333 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.686 -0.665 10.272 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.690 -0.347 8.866 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.430 -1.677 11.604 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.498 -0.281 11.430 1.00 0.00 H new ATOM 483 N ILE A 35 8.542 -3.717 6.888 1.00 0.00 N ATOM 484 CA ILE A 35 7.786 -4.330 5.760 1.00 0.00 C ATOM 485 C ILE A 35 7.448 -5.784 6.095 1.00 0.00 C ATOM 486 O ILE A 35 8.299 -6.551 6.501 1.00 0.00 O ATOM 487 CB ILE A 35 8.732 -4.256 4.560 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.953 -2.791 4.179 1.00 0.00 C ATOM 489 CG2 ILE A 35 8.116 -5.004 3.375 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.674 -2.713 2.833 1.00 0.00 C ATOM 0 H ILE A 35 9.460 -4.125 7.066 1.00 0.00 H new ATOM 0 HA ILE A 35 6.844 -3.819 5.560 1.00 0.00 H new ATOM 0 HB ILE A 35 9.686 -4.714 4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.996 -2.272 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.541 -2.290 4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.791 -4.951 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.956 -6.047 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.162 -4.547 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.830 -1.668 2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.638 -3.217 2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.069 -3.198 2.067 1.00 0.00 H new ATOM 502 N ARG A 36 6.213 -6.170 5.937 1.00 0.00 N ATOM 503 CA ARG A 36 5.826 -7.574 6.257 1.00 0.00 C ATOM 504 C ARG A 36 5.385 -8.309 4.988 1.00 0.00 C ATOM 505 O ARG A 36 4.847 -7.719 4.071 1.00 0.00 O ATOM 506 CB ARG A 36 4.660 -7.450 7.237 1.00 0.00 C ATOM 507 CG ARG A 36 5.083 -6.594 8.432 1.00 0.00 C ATOM 508 CD ARG A 36 4.217 -6.947 9.644 1.00 0.00 C ATOM 509 NE ARG A 36 3.855 -5.637 10.252 1.00 0.00 N ATOM 510 CZ ARG A 36 3.000 -5.590 11.236 1.00 0.00 C ATOM 511 NH1 ARG A 36 1.776 -6.009 11.060 1.00 0.00 N ATOM 512 NH2 ARG A 36 3.369 -5.126 12.399 1.00 0.00 N ATOM 0 H ARG A 36 5.455 -5.576 5.601 1.00 0.00 H new ATOM 0 HA ARG A 36 6.655 -8.143 6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.801 -7.000 6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.350 -8.438 7.576 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.135 -6.765 8.661 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.977 -5.536 8.191 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.328 -7.503 9.346 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.762 -7.573 10.350 1.00 0.00 H new ATOM 0 HE ARG A 36 4.275 -4.777 9.899 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.487 -6.374 10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.108 -5.972 11.830 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.326 -4.800 12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.701 -5.089 13.169 1.00 0.00 H new ATOM 526 N ARG A 37 5.608 -9.593 4.934 1.00 0.00 N ATOM 527 CA ARG A 37 5.202 -10.373 3.731 1.00 0.00 C ATOM 528 C ARG A 37 3.875 -11.091 3.992 1.00 0.00 C ATOM 529 O ARG A 37 3.571 -11.468 5.106 1.00 0.00 O ATOM 530 CB ARG A 37 6.326 -11.386 3.516 1.00 0.00 C ATOM 531 CG ARG A 37 7.313 -10.843 2.482 1.00 0.00 C ATOM 532 CD ARG A 37 8.665 -11.541 2.650 1.00 0.00 C ATOM 533 NE ARG A 37 8.356 -12.996 2.592 1.00 0.00 N ATOM 534 CZ ARG A 37 9.058 -13.783 1.824 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.347 -13.890 2.005 1.00 0.00 N ATOM 536 NH2 ARG A 37 8.474 -14.463 0.877 1.00 0.00 N ATOM 0 H ARG A 37 6.055 -10.137 5.672 1.00 0.00 H new ATOM 0 HA ARG A 37 5.055 -9.738 2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.840 -11.580 4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.913 -12.336 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.929 -11.008 1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.430 -9.766 2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.359 -11.253 1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.132 -11.274 3.598 1.00 0.00 H new ATOM 0 HE ARG A 37 7.595 -13.378 3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.804 -13.359 2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.897 -14.505 1.405 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.467 -14.380 0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.024 -15.078 0.277 1.00 0.00 H new ATOM 550 N ALA A 38 3.086 -11.284 2.972 1.00 0.00 N ATOM 551 CA ALA A 38 1.780 -11.978 3.159 1.00 0.00 C ATOM 552 C ALA A 38 1.702 -13.208 2.249 1.00 0.00 C ATOM 553 O ALA A 38 2.413 -13.312 1.269 1.00 0.00 O ATOM 554 CB ALA A 38 0.723 -10.947 2.762 1.00 0.00 C ATOM 0 H ALA A 38 3.289 -10.991 2.016 1.00 0.00 H new ATOM 0 HA ALA A 38 1.640 -12.330 4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.270 -11.383 2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.809 -10.072 3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.876 -10.651 1.724 1.00 0.00 H new ATOM 560 N SER A 39 0.844 -14.139 2.564 1.00 0.00 N ATOM 561 CA SER A 39 0.725 -15.359 1.715 1.00 0.00 C ATOM 562 C SER A 39 0.697 -14.974 0.234 1.00 0.00 C ATOM 563 O SER A 39 1.053 -15.755 -0.627 1.00 0.00 O ATOM 564 CB SER A 39 -0.598 -16.004 2.128 1.00 0.00 C ATOM 565 OG SER A 39 -0.688 -16.026 3.546 1.00 0.00 O ATOM 0 H SER A 39 0.221 -14.108 3.371 1.00 0.00 H new ATOM 0 HA SER A 39 1.567 -16.038 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.435 -15.446 1.708 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.661 -17.018 1.733 1.00 0.00 H new ATOM 0 HG SER A 39 -1.536 -16.438 3.814 1.00 0.00 H new ATOM 571 N SER A 40 0.279 -13.776 -0.070 1.00 0.00 N ATOM 572 CA SER A 40 0.231 -13.343 -1.497 1.00 0.00 C ATOM 573 C SER A 40 0.013 -11.830 -1.581 1.00 0.00 C ATOM 574 O SER A 40 0.049 -11.133 -0.587 1.00 0.00 O ATOM 575 CB SER A 40 -0.958 -14.090 -2.099 1.00 0.00 C ATOM 576 OG SER A 40 -0.636 -15.470 -2.214 1.00 0.00 O ATOM 0 H SER A 40 -0.031 -13.078 0.606 1.00 0.00 H new ATOM 0 HA SER A 40 1.158 -13.561 -2.027 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.839 -13.961 -1.470 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.202 -13.679 -3.078 1.00 0.00 H new ATOM 0 HG SER A 40 0.285 -15.617 -1.912 1.00 0.00 H new ATOM 582 N ASP A 41 -0.212 -11.318 -2.760 1.00 0.00 N ATOM 583 CA ASP A 41 -0.432 -9.849 -2.905 1.00 0.00 C ATOM 584 C ASP A 41 -1.710 -9.433 -2.172 1.00 0.00 C ATOM 585 O ASP A 41 -1.944 -8.266 -1.926 1.00 0.00 O ATOM 586 CB ASP A 41 -0.576 -9.617 -4.410 1.00 0.00 C ATOM 587 CG ASP A 41 0.799 -9.707 -5.074 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.529 -10.632 -4.757 1.00 0.00 O ATOM 589 OD2 ASP A 41 1.099 -8.850 -5.889 1.00 0.00 O ATOM 0 H ASP A 41 -0.253 -11.851 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 41 0.383 -9.264 -2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.249 -10.359 -4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.019 -8.639 -4.597 1.00 0.00 H new ATOM 594 N ASN A 42 -2.536 -10.380 -1.819 1.00 0.00 N ATOM 595 CA ASN A 42 -3.798 -10.041 -1.101 1.00 0.00 C ATOM 596 C ASN A 42 -3.583 -10.133 0.413 1.00 0.00 C ATOM 597 O ASN A 42 -3.424 -11.205 0.962 1.00 0.00 O ATOM 598 CB ASN A 42 -4.808 -11.092 -1.563 1.00 0.00 C ATOM 599 CG ASN A 42 -6.095 -10.960 -0.746 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.054 -10.879 0.465 1.00 0.00 O ATOM 601 ND2 ASN A 42 -7.245 -10.937 -1.362 1.00 0.00 N ATOM 0 H ASN A 42 -2.392 -11.374 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.137 -9.027 -1.314 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.024 -10.963 -2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.389 -12.091 -1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.109 -10.851 -0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.280 -11.005 -2.379 1.00 0.00 H new ATOM 608 N HIS A 43 -3.576 -9.018 1.091 1.00 0.00 N ATOM 609 CA HIS A 43 -3.371 -9.047 2.567 1.00 0.00 C ATOM 610 C HIS A 43 -4.165 -7.926 3.237 1.00 0.00 C ATOM 611 O HIS A 43 -4.906 -7.205 2.596 1.00 0.00 O ATOM 612 CB HIS A 43 -1.866 -8.837 2.781 1.00 0.00 C ATOM 613 CG HIS A 43 -1.323 -7.841 1.785 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.152 -6.498 2.093 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.878 -7.989 0.496 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.616 -5.898 1.009 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.433 -6.764 0.009 1.00 0.00 N ATOM 0 H HIS A 43 -3.703 -8.090 0.688 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.713 -9.986 3.002 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.683 -8.482 3.795 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.342 -9.787 2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.874 -8.916 -0.057 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.366 -4.849 0.957 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.049 -6.569 -0.915 1.00 0.00 H new ATOM 625 N SER A 44 -4.014 -7.774 4.523 1.00 0.00 N ATOM 626 CA SER A 44 -4.755 -6.699 5.239 1.00 0.00 C ATOM 627 C SER A 44 -3.934 -5.408 5.222 1.00 0.00 C ATOM 628 O SER A 44 -2.780 -5.392 5.600 1.00 0.00 O ATOM 629 CB SER A 44 -4.919 -7.209 6.670 1.00 0.00 C ATOM 630 OG SER A 44 -3.768 -7.954 7.041 1.00 0.00 O ATOM 0 H SER A 44 -3.409 -8.348 5.110 1.00 0.00 H new ATOM 0 HA SER A 44 -5.718 -6.479 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.059 -6.371 7.353 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.809 -7.833 6.745 1.00 0.00 H new ATOM 0 HG SER A 44 -3.947 -8.911 6.927 1.00 0.00 H new ATOM 636 N CYS A 45 -4.515 -4.325 4.787 1.00 0.00 N ATOM 637 CA CYS A 45 -3.751 -3.046 4.752 1.00 0.00 C ATOM 638 C CYS A 45 -4.392 -2.012 5.677 1.00 0.00 C ATOM 639 O CYS A 45 -5.407 -2.258 6.305 1.00 0.00 O ATOM 640 CB CYS A 45 -3.801 -2.573 3.298 1.00 0.00 C ATOM 641 SG CYS A 45 -5.504 -2.628 2.690 1.00 0.00 S ATOM 0 H CYS A 45 -5.478 -4.269 4.456 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.725 -3.182 5.094 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.412 -1.558 3.223 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.164 -3.205 2.679 1.00 0.00 H new ATOM 646 N ALA A 46 -3.797 -0.858 5.768 1.00 0.00 N ATOM 647 CA ALA A 46 -4.357 0.196 6.659 1.00 0.00 C ATOM 648 C ALA A 46 -4.669 -0.411 8.029 1.00 0.00 C ATOM 649 O ALA A 46 -5.614 -0.028 8.691 1.00 0.00 O ATOM 650 CB ALA A 46 -5.639 0.662 5.969 1.00 0.00 C ATOM 0 H ALA A 46 -2.948 -0.598 5.265 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.667 1.024 6.819 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.111 1.441 6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.398 1.057 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.323 -0.180 5.865 1.00 0.00 H new ATOM 656 N GLY A 47 -3.886 -1.369 8.450 1.00 0.00 N ATOM 657 CA GLY A 47 -4.139 -2.016 9.766 1.00 0.00 C ATOM 658 C GLY A 47 -5.314 -2.982 9.622 1.00 0.00 C ATOM 659 O GLY A 47 -5.539 -3.544 8.569 1.00 0.00 O ATOM 0 H GLY A 47 -3.082 -1.730 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.250 -2.550 10.101 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.361 -1.262 10.521 1.00 0.00 H new ATOM 663 N ASN A 48 -6.072 -3.176 10.665 1.00 0.00 N ATOM 664 CA ASN A 48 -7.233 -4.097 10.573 1.00 0.00 C ATOM 665 C ASN A 48 -8.466 -3.336 10.078 1.00 0.00 C ATOM 666 O ASN A 48 -9.587 -3.670 10.406 1.00 0.00 O ATOM 667 CB ASN A 48 -7.451 -4.607 11.998 1.00 0.00 C ATOM 668 CG ASN A 48 -8.088 -5.997 11.950 1.00 0.00 C ATOM 669 OD1 ASN A 48 -8.789 -6.324 11.014 1.00 0.00 O ATOM 670 ND2 ASN A 48 -7.873 -6.833 12.928 1.00 0.00 N ATOM 0 H ASN A 48 -5.936 -2.736 11.575 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.060 -4.915 9.873 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.501 -4.649 12.530 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.094 -3.919 12.547 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.294 -7.762 12.907 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.284 -6.558 13.714 1.00 0.00 H new ATOM 677 N ARG A 49 -8.267 -2.307 9.298 1.00 0.00 N ATOM 678 CA ARG A 49 -9.422 -1.519 8.793 1.00 0.00 C ATOM 679 C ARG A 49 -9.639 -1.767 7.298 1.00 0.00 C ATOM 680 O ARG A 49 -10.753 -1.728 6.813 1.00 0.00 O ATOM 681 CB ARG A 49 -9.036 -0.061 9.041 1.00 0.00 C ATOM 682 CG ARG A 49 -9.284 0.290 10.509 1.00 0.00 C ATOM 683 CD ARG A 49 -10.063 1.606 10.595 1.00 0.00 C ATOM 684 NE ARG A 49 -9.833 2.100 11.980 1.00 0.00 N ATOM 685 CZ ARG A 49 -8.932 3.019 12.205 1.00 0.00 C ATOM 686 NH1 ARG A 49 -7.689 2.680 12.409 1.00 0.00 N ATOM 687 NH2 ARG A 49 -9.276 4.278 12.223 1.00 0.00 N ATOM 0 H ARG A 49 -7.351 -1.980 8.990 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.352 -1.793 9.290 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.987 0.096 8.791 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.619 0.596 8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.844 -0.509 10.995 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.335 0.382 11.037 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.708 2.324 9.856 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.124 1.450 10.403 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.379 1.721 12.754 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.419 1.696 12.393 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.987 3.399 12.585 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.247 4.544 12.062 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.573 4.996 12.399 1.00 0.00 H new ATOM 701 N GLY A 50 -8.592 -2.014 6.560 1.00 0.00 N ATOM 702 CA GLY A 50 -8.765 -2.251 5.099 1.00 0.00 C ATOM 703 C GLY A 50 -8.190 -3.617 4.716 1.00 0.00 C ATOM 704 O GLY A 50 -7.446 -4.223 5.462 1.00 0.00 O ATOM 0 H GLY A 50 -7.632 -2.062 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.822 -2.207 4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.264 -1.465 4.533 1.00 0.00 H new ATOM 708 N TRP A 51 -8.532 -4.102 3.553 1.00 0.00 N ATOM 709 CA TRP A 51 -8.014 -5.428 3.104 1.00 0.00 C ATOM 710 C TRP A 51 -7.631 -5.352 1.623 1.00 0.00 C ATOM 711 O TRP A 51 -7.788 -4.329 0.991 1.00 0.00 O ATOM 712 CB TRP A 51 -9.183 -6.391 3.304 1.00 0.00 C ATOM 713 CG TRP A 51 -8.998 -7.164 4.569 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.806 -7.087 5.651 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.961 -8.133 4.902 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.333 -7.945 6.626 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.197 -8.612 6.212 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.852 -8.636 4.201 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.362 -9.559 6.806 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -6.008 -9.589 4.796 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.263 -10.050 6.096 1.00 0.00 C ATOM 0 H TRP A 51 -9.151 -3.635 2.891 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.128 -5.744 3.654 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.120 -5.836 3.341 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.251 -7.074 2.457 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.679 -6.457 5.739 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.770 -8.070 7.539 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.647 -8.288 3.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.564 -9.910 7.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.158 -9.969 4.249 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.611 -10.783 6.547 1.00 0.00 H new ATOM 732 N CYS A 52 -7.129 -6.417 1.060 1.00 0.00 N ATOM 733 CA CYS A 52 -6.747 -6.375 -0.382 1.00 0.00 C ATOM 734 C CYS A 52 -7.613 -7.338 -1.200 1.00 0.00 C ATOM 735 O CYS A 52 -7.531 -8.541 -1.054 1.00 0.00 O ATOM 736 CB CYS A 52 -5.286 -6.817 -0.416 1.00 0.00 C ATOM 737 SG CYS A 52 -4.511 -6.222 -1.937 1.00 0.00 S ATOM 0 H CYS A 52 -6.967 -7.308 1.530 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.889 -5.383 -0.812 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.756 -6.425 0.452 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.223 -7.904 -0.364 1.00 0.00 H new ATOM 742 N ARG A 53 -8.435 -6.813 -2.068 1.00 0.00 N ATOM 743 CA ARG A 53 -9.302 -7.687 -2.910 1.00 0.00 C ATOM 744 C ARG A 53 -9.202 -7.252 -4.374 1.00 0.00 C ATOM 745 O ARG A 53 -8.867 -6.121 -4.668 1.00 0.00 O ATOM 746 CB ARG A 53 -10.730 -7.463 -2.401 1.00 0.00 C ATOM 747 CG ARG A 53 -10.754 -7.446 -0.873 1.00 0.00 C ATOM 748 CD ARG A 53 -11.149 -6.049 -0.399 1.00 0.00 C ATOM 749 NE ARG A 53 -10.886 -6.048 1.065 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.559 -6.845 1.848 1.00 0.00 C ATOM 751 NH1 ARG A 53 -11.182 -8.086 1.999 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.611 -6.403 2.481 1.00 0.00 N ATOM 0 H ARG A 53 -8.544 -5.812 -2.231 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.008 -8.735 -2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.117 -6.520 -2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.383 -8.252 -2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.463 -8.185 -0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.774 -7.715 -0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.564 -5.281 -0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.198 -5.843 -0.611 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.180 -5.425 1.456 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.360 -8.433 1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.709 -8.708 2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.907 -5.434 2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.137 -7.026 3.093 1.00 0.00 H new ATOM 766 N SER A 54 -9.502 -8.124 -5.296 1.00 0.00 N ATOM 767 CA SER A 54 -9.432 -7.725 -6.729 1.00 0.00 C ATOM 768 C SER A 54 -10.324 -6.504 -6.943 1.00 0.00 C ATOM 769 O SER A 54 -9.904 -5.489 -7.460 1.00 0.00 O ATOM 770 CB SER A 54 -9.960 -8.931 -7.507 1.00 0.00 C ATOM 771 OG SER A 54 -11.280 -8.658 -7.962 1.00 0.00 O ATOM 0 H SER A 54 -9.790 -9.087 -5.122 1.00 0.00 H new ATOM 0 HA SER A 54 -8.425 -7.460 -7.052 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.308 -9.145 -8.354 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.958 -9.817 -6.872 1.00 0.00 H new ATOM 0 HG SER A 54 -11.620 -9.429 -8.462 1.00 0.00 H new ATOM 777 N LYS A 55 -11.554 -6.605 -6.532 1.00 0.00 N ATOM 778 CA LYS A 55 -12.499 -5.472 -6.679 1.00 0.00 C ATOM 779 C LYS A 55 -13.343 -5.363 -5.398 1.00 0.00 C ATOM 780 O LYS A 55 -13.756 -6.358 -4.836 1.00 0.00 O ATOM 781 CB LYS A 55 -13.346 -5.854 -7.904 1.00 0.00 C ATOM 782 CG LYS A 55 -14.824 -5.551 -7.654 1.00 0.00 C ATOM 783 CD LYS A 55 -15.662 -6.083 -8.818 1.00 0.00 C ATOM 784 CE LYS A 55 -17.148 -5.858 -8.521 1.00 0.00 C ATOM 785 NZ LYS A 55 -17.710 -5.289 -9.778 1.00 0.00 N ATOM 0 H LYS A 55 -11.949 -7.438 -6.094 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.023 -4.502 -6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.999 -5.303 -8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.219 -6.914 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.147 -6.011 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.972 -4.476 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.384 -5.576 -9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.466 -7.145 -8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.643 -6.792 -8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.284 -5.175 -7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.726 -5.108 -9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.224 -4.397 -10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.572 -5.964 -10.557 1.00 0.00 H new ATOM 799 N CYS A 56 -13.600 -4.172 -4.930 1.00 0.00 N ATOM 800 CA CYS A 56 -14.413 -4.027 -3.686 1.00 0.00 C ATOM 801 C CYS A 56 -15.838 -3.583 -4.027 1.00 0.00 C ATOM 802 O CYS A 56 -16.129 -3.193 -5.140 1.00 0.00 O ATOM 803 CB CYS A 56 -13.701 -2.954 -2.861 1.00 0.00 C ATOM 804 SG CYS A 56 -14.003 -3.252 -1.102 1.00 0.00 S ATOM 0 H CYS A 56 -13.285 -3.298 -5.351 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.496 -4.968 -3.143 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.631 -2.972 -3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.062 -1.965 -3.141 1.00 0.00 H new ATOM 809 N PHE A 57 -16.727 -3.639 -3.073 1.00 0.00 N ATOM 810 CA PHE A 57 -18.131 -3.221 -3.336 1.00 0.00 C ATOM 811 C PHE A 57 -18.239 -1.695 -3.295 1.00 0.00 C ATOM 812 O PHE A 57 -17.325 -1.011 -2.877 1.00 0.00 O ATOM 813 CB PHE A 57 -18.947 -3.846 -2.203 1.00 0.00 C ATOM 814 CG PHE A 57 -18.527 -5.284 -2.009 1.00 0.00 C ATOM 815 CD1 PHE A 57 -18.091 -6.040 -3.104 1.00 0.00 C ATOM 816 CD2 PHE A 57 -18.573 -5.861 -0.734 1.00 0.00 C ATOM 817 CE1 PHE A 57 -17.700 -7.372 -2.923 1.00 0.00 C ATOM 818 CE2 PHE A 57 -18.182 -7.194 -0.554 1.00 0.00 C ATOM 819 CZ PHE A 57 -17.746 -7.949 -1.649 1.00 0.00 C ATOM 0 H PHE A 57 -16.540 -3.957 -2.122 1.00 0.00 H new ATOM 0 HA PHE A 57 -18.483 -3.541 -4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -18.796 -3.285 -1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.010 -3.796 -2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -18.056 -5.596 -4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -18.910 -5.278 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.363 -7.955 -3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.217 -7.639 0.429 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.445 -8.977 -1.511 1.00 0.00 H new ATOM 829 N ARG A 58 -19.341 -1.154 -3.736 1.00 0.00 N ATOM 830 CA ARG A 58 -19.494 0.329 -3.729 1.00 0.00 C ATOM 831 C ARG A 58 -19.418 0.876 -2.302 1.00 0.00 C ATOM 832 O ARG A 58 -18.851 1.924 -2.062 1.00 0.00 O ATOM 833 CB ARG A 58 -20.871 0.601 -4.339 1.00 0.00 C ATOM 834 CG ARG A 58 -21.911 -0.351 -3.739 1.00 0.00 C ATOM 835 CD ARG A 58 -22.573 -1.155 -4.860 1.00 0.00 C ATOM 836 NE ARG A 58 -24.018 -0.805 -4.782 1.00 0.00 N ATOM 837 CZ ARG A 58 -24.609 -0.245 -5.802 1.00 0.00 C ATOM 838 NH1 ARG A 58 -24.171 0.895 -6.263 1.00 0.00 N ATOM 839 NH2 ARG A 58 -25.636 -0.824 -6.360 1.00 0.00 N ATOM 0 H ARG A 58 -20.140 -1.673 -4.100 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.699 0.818 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.162 1.635 -4.152 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -20.830 0.472 -5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -21.435 -1.024 -3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -22.663 0.215 -3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -22.155 -0.894 -5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -22.418 -2.225 -4.723 1.00 0.00 H new ATOM 0 HE ARG A 58 -24.546 -1.003 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -23.368 1.347 -5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -24.632 1.334 -7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -25.978 -1.715 -5.999 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -26.098 -0.386 -7.157 1.00 0.00 H new ATOM 853 N HIS A 59 -19.976 0.181 -1.350 1.00 0.00 N ATOM 854 CA HIS A 59 -19.922 0.679 0.053 1.00 0.00 C ATOM 855 C HIS A 59 -18.472 0.987 0.437 1.00 0.00 C ATOM 856 O HIS A 59 -18.208 1.721 1.367 1.00 0.00 O ATOM 857 CB HIS A 59 -20.477 -0.463 0.904 1.00 0.00 C ATOM 858 CG HIS A 59 -21.784 -0.039 1.515 1.00 0.00 C ATOM 859 ND1 HIS A 59 -22.188 -0.469 2.769 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.789 0.775 1.055 1.00 0.00 C ATOM 861 CE1 HIS A 59 -23.389 0.085 3.019 1.00 0.00 C ATOM 862 NE2 HIS A 59 -23.801 0.853 2.007 1.00 0.00 N ATOM 0 H HIS A 59 -20.464 -0.705 -1.481 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.493 1.597 0.193 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.621 -1.352 0.290 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.766 -0.728 1.686 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.794 1.278 0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -23.951 -0.072 3.928 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.670 1.383 1.945 1.00 0.00 H new ATOM 870 N GLU A 60 -17.531 0.429 -0.277 1.00 0.00 N ATOM 871 CA GLU A 60 -16.104 0.682 0.038 1.00 0.00 C ATOM 872 C GLU A 60 -15.385 1.229 -1.196 1.00 0.00 C ATOM 873 O GLU A 60 -15.967 1.376 -2.252 1.00 0.00 O ATOM 874 CB GLU A 60 -15.547 -0.689 0.409 1.00 0.00 C ATOM 875 CG GLU A 60 -16.505 -1.391 1.374 1.00 0.00 C ATOM 876 CD GLU A 60 -15.732 -1.866 2.605 1.00 0.00 C ATOM 877 OE1 GLU A 60 -15.279 -1.019 3.359 1.00 0.00 O ATOM 878 OE2 GLU A 60 -15.606 -3.067 2.775 1.00 0.00 O ATOM 0 H GLU A 60 -17.695 -0.194 -1.068 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.974 1.413 0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.413 -1.293 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.565 -0.581 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.302 -0.709 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.979 -2.239 0.880 1.00 0.00 H new ATOM 885 N TYR A 61 -14.120 1.516 -1.075 1.00 0.00 N ATOM 886 CA TYR A 61 -13.361 2.036 -2.247 1.00 0.00 C ATOM 887 C TYR A 61 -12.016 1.327 -2.347 1.00 0.00 C ATOM 888 O TYR A 61 -11.781 0.322 -1.707 1.00 0.00 O ATOM 889 CB TYR A 61 -13.158 3.530 -1.990 1.00 0.00 C ATOM 890 CG TYR A 61 -12.322 3.733 -0.746 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.856 3.436 0.513 1.00 0.00 C ATOM 892 CD2 TYR A 61 -11.014 4.225 -0.852 1.00 0.00 C ATOM 893 CE1 TYR A 61 -12.085 3.630 1.665 1.00 0.00 C ATOM 894 CE2 TYR A 61 -10.243 4.419 0.301 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.780 4.121 1.560 1.00 0.00 C ATOM 896 OH TYR A 61 -10.021 4.313 2.696 1.00 0.00 O ATOM 0 H TYR A 61 -13.578 1.413 -0.217 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.894 1.865 -3.183 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.667 3.991 -2.847 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -14.124 4.022 -1.873 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.864 3.057 0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.601 4.455 -1.823 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -12.498 3.400 2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.235 4.798 0.219 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.604 4.309 3.484 1.00 0.00 H new ATOM 906 N VAL A 62 -11.131 1.846 -3.143 1.00 0.00 N ATOM 907 CA VAL A 62 -9.795 1.206 -3.286 1.00 0.00 C ATOM 908 C VAL A 62 -8.717 2.112 -2.692 1.00 0.00 C ATOM 909 O VAL A 62 -8.137 2.925 -3.381 1.00 0.00 O ATOM 910 CB VAL A 62 -9.594 1.041 -4.792 1.00 0.00 C ATOM 911 CG1 VAL A 62 -8.121 0.749 -5.082 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.452 -0.120 -5.296 1.00 0.00 C ATOM 0 H VAL A 62 -11.273 2.687 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.732 0.251 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.889 1.959 -5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.978 0.631 -6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.509 1.576 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.825 -0.169 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.309 -0.238 -6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.157 -1.038 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.502 0.088 -5.090 1.00 0.00 H new ATOM 922 N ASP A 63 -8.454 1.977 -1.415 1.00 0.00 N ATOM 923 CA ASP A 63 -7.415 2.829 -0.757 1.00 0.00 C ATOM 924 C ASP A 63 -6.238 3.063 -1.705 1.00 0.00 C ATOM 925 O ASP A 63 -5.310 2.284 -1.764 1.00 0.00 O ATOM 926 CB ASP A 63 -6.962 2.030 0.468 1.00 0.00 C ATOM 927 CG ASP A 63 -6.101 2.919 1.367 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.650 3.947 0.893 1.00 0.00 O ATOM 929 OD2 ASP A 63 -5.908 2.555 2.516 1.00 0.00 O ATOM 0 H ASP A 63 -8.917 1.310 -0.797 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.803 3.811 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.829 1.668 1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.395 1.154 0.154 1.00 0.00 H new ATOM 934 N THR A 64 -6.280 4.129 -2.456 1.00 0.00 N ATOM 935 CA THR A 64 -5.170 4.416 -3.411 1.00 0.00 C ATOM 936 C THR A 64 -3.832 4.486 -2.670 1.00 0.00 C ATOM 937 O THR A 64 -2.788 4.210 -3.225 1.00 0.00 O ATOM 938 CB THR A 64 -5.512 5.775 -4.022 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.231 6.551 -3.074 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.367 5.571 -5.274 1.00 0.00 C ATOM 0 H THR A 64 -7.035 4.815 -2.450 1.00 0.00 H new ATOM 0 HA THR A 64 -5.072 3.639 -4.169 1.00 0.00 H new ATOM 0 HB THR A 64 -4.593 6.295 -4.293 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.183 6.552 -3.306 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.611 6.540 -5.710 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.813 4.976 -6.000 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.287 5.052 -5.006 1.00 0.00 H new ATOM 948 N TYR A 65 -3.858 4.860 -1.421 1.00 0.00 N ATOM 949 CA TYR A 65 -2.589 4.957 -0.643 1.00 0.00 C ATOM 950 C TYR A 65 -2.013 3.563 -0.377 1.00 0.00 C ATOM 951 O TYR A 65 -0.826 3.337 -0.503 1.00 0.00 O ATOM 952 CB TYR A 65 -2.985 5.626 0.672 1.00 0.00 C ATOM 953 CG TYR A 65 -1.786 6.329 1.262 1.00 0.00 C ATOM 954 CD1 TYR A 65 -1.244 7.449 0.622 1.00 0.00 C ATOM 955 CD2 TYR A 65 -1.215 5.858 2.451 1.00 0.00 C ATOM 956 CE1 TYR A 65 -0.133 8.100 1.170 1.00 0.00 C ATOM 957 CE2 TYR A 65 -0.103 6.509 3.000 1.00 0.00 C ATOM 958 CZ TYR A 65 0.438 7.630 2.359 1.00 0.00 C ATOM 959 OH TYR A 65 1.534 8.272 2.899 1.00 0.00 O ATOM 0 H TYR A 65 -4.703 5.103 -0.904 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.823 5.518 -1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.790 6.340 0.501 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.363 4.881 1.372 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.683 7.811 -0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.632 4.993 2.945 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.284 8.965 0.676 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.337 6.146 3.917 1.00 0.00 H new ATOM 0 HH TYR A 65 1.805 7.819 3.725 1.00 0.00 H new ATOM 969 N TYR A 66 -2.841 2.631 0.006 1.00 0.00 N ATOM 970 CA TYR A 66 -2.333 1.259 0.295 1.00 0.00 C ATOM 971 C TYR A 66 -2.412 0.371 -0.950 1.00 0.00 C ATOM 972 O TYR A 66 -1.963 -0.760 -0.946 1.00 0.00 O ATOM 973 CB TYR A 66 -3.242 0.729 1.401 1.00 0.00 C ATOM 974 CG TYR A 66 -2.706 1.184 2.736 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.765 0.399 3.415 1.00 0.00 C ATOM 976 CD2 TYR A 66 -3.144 2.389 3.294 1.00 0.00 C ATOM 977 CE1 TYR A 66 -1.265 0.821 4.651 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.644 2.811 4.532 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.704 2.027 5.211 1.00 0.00 C ATOM 980 OH TYR A 66 -1.211 2.442 6.432 1.00 0.00 O ATOM 0 H TYR A 66 -3.845 2.759 0.131 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.285 1.267 0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.259 1.094 1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.285 -0.359 1.364 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.426 -0.531 2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.868 2.995 2.770 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.539 0.216 5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.984 3.741 4.963 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.619 3.299 6.675 1.00 0.00 H new ATOM 990 N SER A 67 -2.956 0.875 -2.024 1.00 0.00 N ATOM 991 CA SER A 67 -3.031 0.052 -3.264 1.00 0.00 C ATOM 992 C SER A 67 -1.634 -0.478 -3.593 1.00 0.00 C ATOM 993 O SER A 67 -1.473 -1.447 -4.308 1.00 0.00 O ATOM 994 CB SER A 67 -3.512 1.012 -4.351 1.00 0.00 C ATOM 995 OG SER A 67 -2.396 1.466 -5.105 1.00 0.00 O ATOM 0 H SER A 67 -3.349 1.814 -2.097 1.00 0.00 H new ATOM 0 HA SER A 67 -3.697 -0.805 -3.167 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.227 0.511 -5.004 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.030 1.859 -3.901 1.00 0.00 H new ATOM 0 HG SER A 67 -2.702 2.081 -5.804 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.622 0.160 -3.067 1.00 0.00 N ATOM 1002 CA ALA A 68 0.773 -0.286 -3.332 1.00 0.00 C ATOM 1003 C ALA A 68 1.056 -1.618 -2.629 1.00 0.00 C ATOM 1004 O ALA A 68 1.174 -2.647 -3.266 1.00 0.00 O ATOM 1005 CB ALA A 68 1.648 0.824 -2.755 1.00 0.00 C ATOM 0 H ALA A 68 -0.705 0.976 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 68 0.961 -0.451 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.698 0.576 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.421 1.764 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.451 0.925 -1.688 1.00 0.00 H new ATOM 1011 N VAL A 69 1.170 -1.614 -1.324 1.00 0.00 N ATOM 1012 CA VAL A 69 1.450 -2.896 -0.609 1.00 0.00 C ATOM 1013 C VAL A 69 0.564 -3.999 -1.180 1.00 0.00 C ATOM 1014 O VAL A 69 0.922 -5.160 -1.180 1.00 0.00 O ATOM 1015 CB VAL A 69 1.122 -2.639 0.868 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.385 -2.475 1.062 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.611 -3.818 1.707 1.00 0.00 C ATOM 0 H VAL A 69 1.083 -0.790 -0.730 1.00 0.00 H new ATOM 0 HA VAL A 69 2.486 -3.215 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 69 1.620 -1.722 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.599 -2.294 2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.738 -1.631 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.894 -3.383 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.379 -3.638 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.114 -4.730 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.689 -3.928 1.587 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.588 -3.643 -1.676 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.499 -4.668 -2.255 1.00 0.00 C ATOM 1029 C CYS A 70 -0.845 -5.334 -3.469 1.00 0.00 C ATOM 1030 O CYS A 70 -0.647 -6.532 -3.498 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.744 -3.888 -2.677 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.104 -4.282 -1.553 1.00 0.00 S ATOM 0 H CYS A 70 -0.938 -2.685 -1.705 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.733 -5.463 -1.547 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.540 -2.817 -2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.017 -4.143 -3.701 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.510 -4.568 -4.470 1.00 0.00 N ATOM 1038 CA GLY A 71 0.128 -5.160 -5.680 1.00 0.00 C ATOM 1039 C GLY A 71 -0.938 -5.391 -6.752 1.00 0.00 C ATOM 1040 O GLY A 71 -1.765 -4.540 -7.012 1.00 0.00 O ATOM 0 H GLY A 71 -0.650 -3.558 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.903 -4.494 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.614 -6.102 -5.425 1.00 0.00 H new ATOM 1044 N ARG A 72 -0.930 -6.538 -7.375 1.00 0.00 N ATOM 1045 CA ARG A 72 -1.950 -6.818 -8.426 1.00 0.00 C ATOM 1046 C ARG A 72 -3.348 -6.495 -7.893 1.00 0.00 C ATOM 1047 O ARG A 72 -4.225 -6.088 -8.629 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.815 -8.313 -8.719 1.00 0.00 C ATOM 1049 CG ARG A 72 -1.204 -8.510 -10.109 1.00 0.00 C ATOM 1050 CD ARG A 72 0.172 -9.165 -9.974 1.00 0.00 C ATOM 1051 NE ARG A 72 0.681 -9.280 -11.369 1.00 0.00 N ATOM 1052 CZ ARG A 72 0.636 -10.428 -11.989 1.00 0.00 C ATOM 1053 NH1 ARG A 72 -0.339 -11.261 -11.749 1.00 0.00 N ATOM 1054 NH2 ARG A 72 1.566 -10.742 -12.849 1.00 0.00 N ATOM 0 H ARG A 72 -0.264 -7.291 -7.203 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.803 -6.216 -9.323 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.187 -8.787 -7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.792 -8.794 -8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.857 -9.134 -10.720 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.113 -7.550 -10.617 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.839 -8.560 -9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.099 -10.143 -9.498 1.00 0.00 H new ATOM 0 HE ARG A 72 1.065 -8.461 -11.840 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.066 -11.015 -11.077 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.374 -12.158 -12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.328 -10.090 -13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.531 -11.639 -13.333 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.560 -6.670 -6.617 1.00 0.00 N ATOM 1069 CA TYR A 73 -4.901 -6.369 -6.035 1.00 0.00 C ATOM 1070 C TYR A 73 -4.947 -4.922 -5.540 1.00 0.00 C ATOM 1071 O TYR A 73 -3.983 -4.191 -5.641 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.053 -7.331 -4.855 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.224 -8.740 -5.366 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -4.184 -9.362 -6.066 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -6.422 -9.426 -5.136 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -4.341 -10.670 -6.538 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -6.580 -10.735 -5.607 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.539 -11.356 -6.307 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.694 -12.647 -6.772 1.00 0.00 O ATOM 0 H TYR A 73 -2.864 -7.008 -5.952 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.700 -6.489 -6.767 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.176 -7.272 -4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.914 -7.046 -4.250 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.260 -8.832 -6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.224 -8.946 -4.595 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.539 -11.149 -7.080 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.504 -11.265 -5.430 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.583 -12.979 -6.526 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.057 -4.510 -4.996 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.161 -3.116 -4.483 1.00 0.00 C ATOM 1091 C PHE A 74 -6.542 -3.137 -3.003 1.00 0.00 C ATOM 1092 O PHE A 74 -7.354 -3.933 -2.575 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.276 -2.453 -5.298 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.195 -2.888 -6.741 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -7.681 -4.145 -7.117 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -6.643 -2.033 -7.700 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -7.615 -4.548 -8.456 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -6.575 -2.435 -9.038 1.00 0.00 C ATOM 1099 CZ PHE A 74 -7.061 -3.693 -9.417 1.00 0.00 C ATOM 0 H PHE A 74 -6.897 -5.078 -4.884 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.218 -2.578 -4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.248 -2.721 -4.884 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.189 -1.368 -5.232 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.107 -4.804 -6.375 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.269 -1.063 -7.408 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.991 -5.517 -8.748 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.148 -1.776 -9.779 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.008 -4.003 -10.450 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.971 -2.270 -2.218 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.318 -2.248 -0.772 1.00 0.00 C ATOM 1111 C CYS A 75 -7.643 -1.514 -0.588 1.00 0.00 C ATOM 1112 O CYS A 75 -7.687 -0.302 -0.559 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.176 -1.484 -0.097 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.684 -0.963 1.563 1.00 0.00 S ATOM 0 H CYS A 75 -5.282 -1.578 -2.513 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.433 -3.245 -0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.290 -2.116 -0.035 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.905 -0.614 -0.695 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.727 -2.229 -0.471 1.00 0.00 N ATOM 1120 CA CYS A 76 -10.035 -1.545 -0.302 1.00 0.00 C ATOM 1121 C CYS A 76 -10.201 -1.078 1.134 1.00 0.00 C ATOM 1122 O CYS A 76 -9.496 -1.501 2.030 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.092 -2.587 -0.653 1.00 0.00 C ATOM 1124 SG CYS A 76 -12.730 -1.998 -0.159 1.00 0.00 S ATOM 0 H CYS A 76 -8.763 -3.248 -0.485 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.117 -0.663 -0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.076 -2.786 -1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -10.868 -3.528 -0.150 1.00 0.00 H new ATOM 1129 N ARG A 77 -11.124 -0.199 1.350 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.346 0.324 2.726 1.00 0.00 C ATOM 1131 C ARG A 77 -12.749 0.916 2.851 1.00 0.00 C ATOM 1132 O ARG A 77 -13.493 0.990 1.892 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.292 1.416 2.905 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.978 0.791 3.377 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.058 1.885 3.922 1.00 0.00 C ATOM 1136 NE ARG A 77 -8.780 2.440 5.100 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.239 3.395 5.805 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -7.228 4.066 5.325 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -8.711 3.680 6.988 1.00 0.00 N ATOM 0 H ARG A 77 -11.741 0.186 0.634 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.263 -0.458 3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.138 1.944 1.964 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.637 2.153 3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.174 0.048 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.493 0.272 2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.088 1.479 4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.873 2.655 3.173 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.697 2.074 5.356 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.862 3.844 4.399 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.804 4.813 5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.503 3.156 7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.288 4.427 7.539 1.00 0.00 H new ATOM 1153 N SER A 78 -13.114 1.343 4.026 1.00 0.00 N ATOM 1154 CA SER A 78 -14.468 1.935 4.215 1.00 0.00 C ATOM 1155 C SER A 78 -14.400 3.459 4.091 1.00 0.00 C ATOM 1156 O SER A 78 -13.857 4.138 4.940 1.00 0.00 O ATOM 1157 CB SER A 78 -14.884 1.530 5.629 1.00 0.00 C ATOM 1158 OG SER A 78 -15.327 0.180 5.618 1.00 0.00 O ATOM 0 H SER A 78 -12.534 1.308 4.864 1.00 0.00 H new ATOM 0 HA SER A 78 -15.179 1.587 3.466 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.044 1.644 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.679 2.183 5.988 1.00 0.00 H new ATOM 0 HG SER A 78 -15.542 -0.086 4.700 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.945 4.003 3.037 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.911 5.483 2.856 1.00 0.00 C ATOM 1166 C ARG A 79 -15.696 6.170 3.977 1.00 0.00 C ATOM 1167 O ARG A 79 -16.905 6.014 4.008 1.00 0.00 O ATOM 1168 CB ARG A 79 -15.579 5.732 1.504 1.00 0.00 C ATOM 1169 CG ARG A 79 -15.068 7.050 0.918 1.00 0.00 C ATOM 1170 CD ARG A 79 -15.367 7.093 -0.583 1.00 0.00 C ATOM 1171 NE ARG A 79 -14.910 8.438 -1.027 1.00 0.00 N ATOM 1172 CZ ARG A 79 -14.538 8.627 -2.263 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -13.783 7.743 -2.859 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -14.919 9.697 -2.905 1.00 0.00 N ATOM 1175 OXT ARG A 79 -15.073 6.840 4.784 1.00 0.00 O ATOM 0 H ARG A 79 -15.413 3.486 2.292 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.896 5.880 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.362 4.910 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.662 5.770 1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.546 7.892 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.996 7.144 1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -14.838 6.301 -1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -16.430 6.953 -0.778 1.00 0.00 H new ATOM 0 HE ARG A 79 -14.888 9.213 -0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.485 6.906 -2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.492 7.890 -3.825 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -15.509 10.388 -2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.627 9.843 -3.871 1.00 0.00 H new