USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=17 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 Set 1.1: A 39 SER OG : rot 180:sc= -0.0145 USER MOD Set 1.2: A 40 SER OG : rot -51:sc= -0.278! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 15:sc= -1.36! 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 93:sc= 0.776 USER MOD Single : A 34 ASN : amide:sc= -3.57! C(o=-3.6!,f=-7.6!) USER MOD Single : A 42 ASN : amide:sc= -2.69! C(o=-2.7!,f=-3.6!) USER MOD Single : A 43 HIS : no HD1:sc= -19.1! C(o=-19!,f=-18!) USER MOD Single : A 44 SER OG : rot 40:sc= 0.169 USER MOD Single : A 48 ASN : amide:sc= -0.35 K(o=-0.35,f=-0.89!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.732! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.064 X(o=0.064,f=-0.37) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.32 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0903 USER MOD Single : A 67 SER OG : rot -101:sc= 1.07 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 5 8.862 4.519 -1.463 1.00 0.00 N ATOM 70 CA PRO A 5 7.587 5.254 -1.305 1.00 0.00 C ATOM 71 C PRO A 5 7.293 5.452 0.184 1.00 0.00 C ATOM 72 O PRO A 5 8.176 5.393 1.016 1.00 0.00 O ATOM 73 CB PRO A 5 6.558 4.325 -1.945 1.00 0.00 C ATOM 74 CG PRO A 5 7.161 2.962 -1.846 1.00 0.00 C ATOM 75 CD PRO A 5 8.653 3.140 -1.920 1.00 0.00 C ATOM 0 HA PRO A 5 7.592 6.245 -1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.602 4.374 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.369 4.599 -2.983 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.875 2.480 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.807 2.323 -2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.174 2.424 -1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.024 2.994 -2.934 1.00 0.00 H new ATOM 83 N ALA A 6 6.060 5.677 0.524 1.00 0.00 N ATOM 84 CA ALA A 6 5.700 5.868 1.951 1.00 0.00 C ATOM 85 C ALA A 6 4.767 4.744 2.402 1.00 0.00 C ATOM 86 O ALA A 6 4.927 4.179 3.465 1.00 0.00 O ATOM 87 CB ALA A 6 4.990 7.220 2.010 1.00 0.00 C ATOM 0 H ALA A 6 5.280 5.737 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 6 6.570 5.846 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.693 7.430 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.665 8.001 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.105 7.194 1.375 1.00 0.00 H new ATOM 93 N ILE A 7 3.796 4.413 1.597 1.00 0.00 N ATOM 94 CA ILE A 7 2.858 3.320 1.978 1.00 0.00 C ATOM 95 C ILE A 7 3.642 2.055 2.329 1.00 0.00 C ATOM 96 O ILE A 7 3.419 1.436 3.351 1.00 0.00 O ATOM 97 CB ILE A 7 1.984 3.083 0.741 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.152 1.808 0.961 1.00 0.00 C ATOM 99 CG2 ILE A 7 2.865 2.928 -0.510 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.779 1.182 -0.381 1.00 0.00 C ATOM 0 H ILE A 7 3.612 4.851 0.694 1.00 0.00 H new ATOM 0 HA ILE A 7 2.259 3.580 2.851 1.00 0.00 H new ATOM 0 HB ILE A 7 1.322 3.936 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.719 1.094 1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.249 2.047 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.233 2.760 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.452 3.835 -0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.536 2.079 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.190 0.280 -0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.194 1.893 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.686 0.925 -0.927 1.00 0.00 H new ATOM 112 N TYR A 8 4.550 1.665 1.484 1.00 0.00 N ATOM 113 CA TYR A 8 5.348 0.439 1.755 1.00 0.00 C ATOM 114 C TYR A 8 5.859 0.464 3.192 1.00 0.00 C ATOM 115 O TYR A 8 5.967 -0.557 3.841 1.00 0.00 O ATOM 116 CB TYR A 8 6.503 0.493 0.754 1.00 0.00 C ATOM 117 CG TYR A 8 6.009 0.025 -0.595 1.00 0.00 C ATOM 118 CD1 TYR A 8 5.303 0.903 -1.427 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.247 -1.290 -1.008 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.838 0.466 -2.673 1.00 0.00 C ATOM 121 CE2 TYR A 8 5.781 -1.728 -2.254 1.00 0.00 C ATOM 122 CZ TYR A 8 5.076 -0.850 -3.086 1.00 0.00 C ATOM 123 OH TYR A 8 4.616 -1.282 -4.313 1.00 0.00 O ATOM 0 H TYR A 8 4.776 2.144 0.612 1.00 0.00 H new ATOM 0 HA TYR A 8 4.768 -0.478 1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.890 1.509 0.681 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.325 -0.138 1.093 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.117 1.918 -1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.790 -1.968 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.296 1.144 -3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.966 -2.743 -2.573 1.00 0.00 H new ATOM 0 HH TYR A 8 4.867 -2.220 -4.445 1.00 0.00 H new ATOM 133 N ILE A 9 6.158 1.625 3.702 1.00 0.00 N ATOM 134 CA ILE A 9 6.642 1.708 5.108 1.00 0.00 C ATOM 135 C ILE A 9 5.478 1.439 6.059 1.00 0.00 C ATOM 136 O ILE A 9 4.449 2.082 5.997 1.00 0.00 O ATOM 137 CB ILE A 9 7.162 3.137 5.271 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.344 3.359 4.326 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.618 3.352 6.716 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.837 4.801 4.456 1.00 0.00 C ATOM 0 H ILE A 9 6.089 2.516 3.210 1.00 0.00 H new ATOM 0 HA ILE A 9 7.419 0.977 5.331 1.00 0.00 H new ATOM 0 HB ILE A 9 6.367 3.843 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.150 2.665 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.044 3.157 3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.989 4.370 6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.777 3.192 7.391 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.414 2.647 6.955 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.679 4.960 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.030 5.486 4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.153 4.986 5.483 1.00 0.00 H new ATOM 152 N GLY A 10 5.622 0.476 6.925 1.00 0.00 N ATOM 153 CA GLY A 10 4.512 0.152 7.861 1.00 0.00 C ATOM 154 C GLY A 10 3.409 -0.546 7.069 1.00 0.00 C ATOM 155 O GLY A 10 2.239 -0.442 7.383 1.00 0.00 O ATOM 0 H GLY A 10 6.458 -0.099 7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.868 -0.492 8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.129 1.061 8.326 1.00 0.00 H new ATOM 159 N ALA A 11 3.777 -1.252 6.034 1.00 0.00 N ATOM 160 CA ALA A 11 2.749 -1.952 5.205 1.00 0.00 C ATOM 161 C ALA A 11 2.999 -3.464 5.192 1.00 0.00 C ATOM 162 O ALA A 11 3.720 -3.992 6.016 1.00 0.00 O ATOM 163 CB ALA A 11 2.917 -1.373 3.800 1.00 0.00 C ATOM 0 H ALA A 11 4.742 -1.375 5.726 1.00 0.00 H new ATOM 0 HA ALA A 11 1.742 -1.806 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.196 -1.836 3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.748 -0.297 3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.927 -1.573 3.443 1.00 0.00 H new ATOM 169 N THR A 12 2.407 -4.164 4.259 1.00 0.00 N ATOM 170 CA THR A 12 2.612 -5.643 4.191 1.00 0.00 C ATOM 171 C THR A 12 2.410 -6.129 2.757 1.00 0.00 C ATOM 172 O THR A 12 1.300 -6.309 2.314 1.00 0.00 O ATOM 173 CB THR A 12 1.539 -6.241 5.104 1.00 0.00 C ATOM 174 OG1 THR A 12 1.915 -6.059 6.463 1.00 0.00 O ATOM 175 CG2 THR A 12 1.389 -7.736 4.808 1.00 0.00 C ATOM 0 H THR A 12 1.792 -3.777 3.543 1.00 0.00 H new ATOM 0 HA THR A 12 3.617 -5.934 4.498 1.00 0.00 H new ATOM 0 HB THR A 12 0.588 -5.740 4.922 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.636 -5.397 6.517 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.625 -8.161 5.459 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.097 -7.873 3.767 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.339 -8.240 4.987 1.00 0.00 H new ATOM 183 N VAL A 13 3.467 -6.344 2.030 1.00 0.00 N ATOM 184 CA VAL A 13 3.309 -6.814 0.623 1.00 0.00 C ATOM 185 C VAL A 13 3.420 -8.340 0.559 1.00 0.00 C ATOM 186 O VAL A 13 3.816 -8.984 1.511 1.00 0.00 O ATOM 187 CB VAL A 13 4.462 -6.162 -0.144 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.475 -4.655 0.123 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.789 -6.771 0.316 1.00 0.00 C ATOM 0 H VAL A 13 4.429 -6.217 2.344 1.00 0.00 H new ATOM 0 HA VAL A 13 2.338 -6.548 0.206 1.00 0.00 H new ATOM 0 HB VAL A 13 4.329 -6.338 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.297 -4.195 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.532 -4.219 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.605 -4.476 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.611 -6.307 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.919 -6.597 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.784 -7.844 0.122 1.00 0.00 H new ATOM 199 N GLY A 14 3.075 -8.924 -0.556 1.00 0.00 N ATOM 200 CA GLY A 14 3.163 -10.406 -0.680 1.00 0.00 C ATOM 201 C GLY A 14 4.626 -10.818 -0.854 1.00 0.00 C ATOM 202 O GLY A 14 5.524 -10.051 -0.567 1.00 0.00 O ATOM 0 H GLY A 14 2.736 -8.438 -1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.743 -10.881 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.575 -10.746 -1.532 1.00 0.00 H new ATOM 206 N PRO A 15 4.815 -12.021 -1.321 1.00 0.00 N ATOM 207 CA PRO A 15 6.184 -12.547 -1.537 1.00 0.00 C ATOM 208 C PRO A 15 6.802 -11.924 -2.792 1.00 0.00 C ATOM 209 O PRO A 15 7.919 -11.444 -2.773 1.00 0.00 O ATOM 210 CB PRO A 15 5.966 -14.046 -1.727 1.00 0.00 C ATOM 211 CG PRO A 15 4.557 -14.178 -2.215 1.00 0.00 C ATOM 212 CD PRO A 15 3.782 -12.997 -1.686 1.00 0.00 C ATOM 0 HA PRO A 15 6.865 -12.321 -0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.673 -14.459 -2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.111 -14.587 -0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.529 -14.198 -3.304 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.117 -15.113 -1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.104 -12.596 -2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.174 -13.274 -0.825 1.00 0.00 H new ATOM 220 N SER A 16 6.085 -11.929 -3.882 1.00 0.00 N ATOM 221 CA SER A 16 6.631 -11.338 -5.139 1.00 0.00 C ATOM 222 C SER A 16 6.943 -9.853 -4.937 1.00 0.00 C ATOM 223 O SER A 16 8.044 -9.401 -5.181 1.00 0.00 O ATOM 224 CB SER A 16 5.521 -11.518 -6.173 1.00 0.00 C ATOM 225 OG SER A 16 6.070 -11.388 -7.479 1.00 0.00 O ATOM 0 H SER A 16 5.145 -12.317 -3.958 1.00 0.00 H new ATOM 0 HA SER A 16 7.560 -11.815 -5.450 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.056 -12.497 -6.057 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.740 -10.774 -6.018 1.00 0.00 H new ATOM 0 HG SER A 16 5.361 -11.505 -8.145 1.00 0.00 H new ATOM 231 N VAL A 17 5.983 -9.089 -4.491 1.00 0.00 N ATOM 232 CA VAL A 17 6.229 -7.635 -4.276 1.00 0.00 C ATOM 233 C VAL A 17 7.378 -7.436 -3.287 1.00 0.00 C ATOM 234 O VAL A 17 8.265 -6.636 -3.505 1.00 0.00 O ATOM 235 CB VAL A 17 4.923 -7.087 -3.702 1.00 0.00 C ATOM 236 CG1 VAL A 17 5.112 -5.623 -3.307 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.818 -7.191 -4.757 1.00 0.00 C ATOM 0 H VAL A 17 5.041 -9.408 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 17 6.510 -7.124 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 17 4.643 -7.667 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.180 -5.233 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.898 -5.547 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.393 -5.042 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.886 -6.800 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.099 -6.612 -5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.681 -8.235 -5.039 1.00 0.00 H new ATOM 247 N TRP A 18 7.372 -8.160 -2.203 1.00 0.00 N ATOM 248 CA TRP A 18 8.471 -8.009 -1.209 1.00 0.00 C ATOM 249 C TRP A 18 9.825 -8.133 -1.911 1.00 0.00 C ATOM 250 O TRP A 18 10.584 -7.188 -1.993 1.00 0.00 O ATOM 251 CB TRP A 18 8.278 -9.161 -0.224 1.00 0.00 C ATOM 252 CG TRP A 18 9.285 -9.043 0.874 1.00 0.00 C ATOM 253 CD1 TRP A 18 9.394 -7.989 1.712 1.00 0.00 C ATOM 254 CD2 TRP A 18 10.323 -9.987 1.265 1.00 0.00 C ATOM 255 NE1 TRP A 18 10.431 -8.224 2.596 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.035 -9.444 2.361 1.00 0.00 C ATOM 257 CE3 TRP A 18 10.712 -11.250 0.784 1.00 0.00 C ATOM 258 CZ2 TRP A 18 12.095 -10.129 2.958 1.00 0.00 C ATOM 259 CZ3 TRP A 18 11.779 -11.942 1.381 1.00 0.00 C ATOM 260 CH2 TRP A 18 12.468 -11.382 2.466 1.00 0.00 C ATOM 0 H TRP A 18 6.657 -8.847 -1.963 1.00 0.00 H new ATOM 0 HA TRP A 18 8.450 -7.040 -0.711 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.269 -9.138 0.188 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.391 -10.116 -0.736 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.772 -7.106 1.694 1.00 0.00 H new ATOM 0 HE1 TRP A 18 10.715 -7.576 3.331 1.00 0.00 H new ATOM 0 HE3 TRP A 18 10.187 -11.691 -0.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.622 -9.693 3.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 12.070 -12.911 1.002 1.00 0.00 H new ATOM 0 HH2 TRP A 18 13.287 -11.919 2.921 1.00 0.00 H new ATOM 271 N ALA A 19 10.126 -9.294 -2.418 1.00 0.00 N ATOM 272 CA ALA A 19 11.427 -9.492 -3.120 1.00 0.00 C ATOM 273 C ALA A 19 11.718 -8.306 -4.043 1.00 0.00 C ATOM 274 O ALA A 19 12.853 -7.912 -4.221 1.00 0.00 O ATOM 275 CB ALA A 19 11.247 -10.774 -3.932 1.00 0.00 C ATOM 0 H ALA A 19 9.527 -10.118 -2.377 1.00 0.00 H new ATOM 0 HA ALA A 19 12.264 -9.564 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.164 -10.990 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.023 -11.602 -3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.425 -10.646 -4.637 1.00 0.00 H new ATOM 281 N TYR A 20 10.703 -7.736 -4.631 1.00 0.00 N ATOM 282 CA TYR A 20 10.929 -6.576 -5.540 1.00 0.00 C ATOM 283 C TYR A 20 11.502 -5.395 -4.752 1.00 0.00 C ATOM 284 O TYR A 20 12.607 -4.946 -4.997 1.00 0.00 O ATOM 285 CB TYR A 20 9.547 -6.229 -6.095 1.00 0.00 C ATOM 286 CG TYR A 20 9.690 -5.221 -7.207 1.00 0.00 C ATOM 287 CD1 TYR A 20 10.218 -5.611 -8.443 1.00 0.00 C ATOM 288 CD2 TYR A 20 9.294 -3.893 -7.003 1.00 0.00 C ATOM 289 CE1 TYR A 20 10.351 -4.674 -9.475 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.427 -2.956 -8.035 1.00 0.00 C ATOM 291 CZ TYR A 20 9.956 -3.347 -9.270 1.00 0.00 C ATOM 292 OH TYR A 20 10.087 -2.423 -10.287 1.00 0.00 O ATOM 0 H TYR A 20 9.730 -8.021 -4.522 1.00 0.00 H new ATOM 0 HA TYR A 20 11.639 -6.806 -6.334 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.056 -7.129 -6.466 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.916 -5.825 -5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.523 -6.635 -8.601 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.886 -3.592 -6.050 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.758 -4.975 -10.429 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.121 -1.932 -7.878 1.00 0.00 H new ATOM 0 HH TYR A 20 9.765 -1.550 -9.979 1.00 0.00 H new ATOM 302 N LEU A 21 10.763 -4.893 -3.803 1.00 0.00 N ATOM 303 CA LEU A 21 11.265 -3.749 -2.997 1.00 0.00 C ATOM 304 C LEU A 21 12.650 -4.080 -2.435 1.00 0.00 C ATOM 305 O LEU A 21 13.451 -3.206 -2.173 1.00 0.00 O ATOM 306 CB LEU A 21 10.243 -3.591 -1.873 1.00 0.00 C ATOM 307 CG LEU A 21 10.207 -2.133 -1.411 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.242 -1.997 -0.233 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.608 -1.701 -0.976 1.00 0.00 C ATOM 0 H LEU A 21 9.833 -5.227 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 21 11.371 -2.834 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.256 -3.897 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.503 -4.241 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 21 9.871 -1.499 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.215 -0.959 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.243 -2.305 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.578 -2.630 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.583 -0.662 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.945 -2.334 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.296 -1.799 -1.816 1.00 0.00 H new ATOM 321 N VAL A 22 12.940 -5.342 -2.258 1.00 0.00 N ATOM 322 CA VAL A 22 14.276 -5.731 -1.723 1.00 0.00 C ATOM 323 C VAL A 22 15.352 -5.455 -2.772 1.00 0.00 C ATOM 324 O VAL A 22 16.350 -4.818 -2.504 1.00 0.00 O ATOM 325 CB VAL A 22 14.173 -7.228 -1.436 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.553 -7.775 -1.069 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.208 -7.457 -0.270 1.00 0.00 C ATOM 0 H VAL A 22 12.310 -6.118 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 22 14.546 -5.170 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 22 13.803 -7.743 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.478 -8.843 -0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.241 -7.612 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.924 -7.261 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.133 -8.525 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.579 -6.941 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.224 -7.068 -0.531 1.00 0.00 H new ATOM 337 N ALA A 23 15.151 -5.918 -3.968 1.00 0.00 N ATOM 338 CA ALA A 23 16.157 -5.668 -5.034 1.00 0.00 C ATOM 339 C ALA A 23 16.386 -4.161 -5.167 1.00 0.00 C ATOM 340 O ALA A 23 17.436 -3.713 -5.581 1.00 0.00 O ATOM 341 CB ALA A 23 15.537 -6.235 -6.312 1.00 0.00 C ATOM 0 H ALA A 23 14.335 -6.458 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 23 17.121 -6.129 -4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 23 16.223 -6.087 -7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.347 -7.301 -6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 23 14.598 -5.722 -6.520 1.00 0.00 H new ATOM 347 N LEU A 24 15.401 -3.378 -4.814 1.00 0.00 N ATOM 348 CA LEU A 24 15.543 -1.901 -4.911 1.00 0.00 C ATOM 349 C LEU A 24 16.455 -1.371 -3.799 1.00 0.00 C ATOM 350 O LEU A 24 17.383 -0.627 -4.047 1.00 0.00 O ATOM 351 CB LEU A 24 14.123 -1.359 -4.743 1.00 0.00 C ATOM 352 CG LEU A 24 13.964 -0.075 -5.558 1.00 0.00 C ATOM 353 CD1 LEU A 24 14.211 -0.374 -7.037 1.00 0.00 C ATOM 354 CD2 LEU A 24 12.543 0.467 -5.380 1.00 0.00 C ATOM 0 H LEU A 24 14.501 -3.703 -4.461 1.00 0.00 H new ATOM 0 HA LEU A 24 15.993 -1.594 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.398 -2.103 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.921 -1.161 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 24 14.685 0.666 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.097 0.542 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.221 -0.762 -7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.491 -1.115 -7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.427 1.382 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.824 -0.276 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.364 0.680 -4.326 1.00 0.00 H new ATOM 366 N VAL A 25 16.196 -1.742 -2.572 1.00 0.00 N ATOM 367 CA VAL A 25 17.049 -1.250 -1.448 1.00 0.00 C ATOM 368 C VAL A 25 17.837 -2.407 -0.828 1.00 0.00 C ATOM 369 O VAL A 25 19.009 -2.289 -0.530 1.00 0.00 O ATOM 370 CB VAL A 25 16.069 -0.658 -0.422 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.971 0.119 -1.140 1.00 0.00 C ATOM 372 CG2 VAL A 25 15.424 -1.780 0.399 1.00 0.00 C ATOM 0 H VAL A 25 15.433 -2.362 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 25 17.779 -0.514 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 25 16.622 0.009 0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.281 0.535 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.417 0.928 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.430 -0.550 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.732 -1.350 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.882 -2.452 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 25 16.199 -2.337 0.925 1.00 0.00 H new ATOM 382 N GLY A 26 17.188 -3.516 -0.615 1.00 0.00 N ATOM 383 CA GLY A 26 17.871 -4.682 0.006 1.00 0.00 C ATOM 384 C GLY A 26 17.017 -5.170 1.173 1.00 0.00 C ATOM 385 O GLY A 26 16.079 -4.514 1.573 1.00 0.00 O ATOM 0 H GLY A 26 16.206 -3.665 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.005 -5.478 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.864 -4.399 0.354 1.00 0.00 H new ATOM 389 N ALA A 27 17.316 -6.312 1.721 1.00 0.00 N ATOM 390 CA ALA A 27 16.493 -6.815 2.854 1.00 0.00 C ATOM 391 C ALA A 27 16.682 -5.929 4.088 1.00 0.00 C ATOM 392 O ALA A 27 15.811 -5.832 4.930 1.00 0.00 O ATOM 393 CB ALA A 27 16.999 -8.233 3.120 1.00 0.00 C ATOM 0 H ALA A 27 18.088 -6.915 1.437 1.00 0.00 H new ATOM 0 HA ALA A 27 15.428 -6.804 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.438 -8.671 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.863 -8.841 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.057 -8.199 3.379 1.00 0.00 H new ATOM 399 N ALA A 28 17.807 -5.283 4.204 1.00 0.00 N ATOM 400 CA ALA A 28 18.036 -4.407 5.384 1.00 0.00 C ATOM 401 C ALA A 28 17.106 -3.194 5.325 1.00 0.00 C ATOM 402 O ALA A 28 16.361 -2.926 6.245 1.00 0.00 O ATOM 403 CB ALA A 28 19.499 -3.975 5.285 1.00 0.00 C ATOM 0 H ALA A 28 18.576 -5.323 3.535 1.00 0.00 H new ATOM 0 HA ALA A 28 17.831 -4.918 6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.744 -3.324 6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.141 -4.856 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.657 -3.437 4.350 1.00 0.00 H new ATOM 409 N ALA A 29 17.141 -2.460 4.247 1.00 0.00 N ATOM 410 CA ALA A 29 16.253 -1.270 4.133 1.00 0.00 C ATOM 411 C ALA A 29 14.789 -1.712 4.133 1.00 0.00 C ATOM 412 O ALA A 29 13.943 -1.095 4.749 1.00 0.00 O ATOM 413 CB ALA A 29 16.623 -0.621 2.799 1.00 0.00 C ATOM 0 H ALA A 29 17.744 -2.632 3.443 1.00 0.00 H new ATOM 0 HA ALA A 29 16.377 -0.577 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 29 16.009 0.266 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.675 -0.336 2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.449 -1.330 1.989 1.00 0.00 H new ATOM 419 N VAL A 30 14.485 -2.781 3.451 1.00 0.00 N ATOM 420 CA VAL A 30 13.078 -3.267 3.414 1.00 0.00 C ATOM 421 C VAL A 30 12.663 -3.790 4.793 1.00 0.00 C ATOM 422 O VAL A 30 11.497 -3.807 5.134 1.00 0.00 O ATOM 423 CB VAL A 30 13.076 -4.401 2.389 1.00 0.00 C ATOM 424 CG1 VAL A 30 11.740 -5.143 2.447 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.271 -3.818 0.988 1.00 0.00 C ATOM 0 H VAL A 30 15.151 -3.339 2.917 1.00 0.00 H new ATOM 0 HA VAL A 30 12.376 -2.477 3.148 1.00 0.00 H new ATOM 0 HB VAL A 30 13.886 -5.095 2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.741 -5.951 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.597 -5.557 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.929 -4.450 2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.270 -4.625 0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.459 -3.125 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.223 -3.288 0.943 1.00 0.00 H new ATOM 435 N THR A 31 13.607 -4.216 5.591 1.00 0.00 N ATOM 436 CA THR A 31 13.255 -4.733 6.945 1.00 0.00 C ATOM 437 C THR A 31 13.189 -3.580 7.949 1.00 0.00 C ATOM 438 O THR A 31 12.550 -3.676 8.978 1.00 0.00 O ATOM 439 CB THR A 31 14.384 -5.698 7.309 1.00 0.00 C ATOM 440 OG1 THR A 31 14.339 -6.824 6.443 1.00 0.00 O ATOM 441 CG2 THR A 31 14.216 -6.160 8.758 1.00 0.00 C ATOM 0 H THR A 31 14.601 -4.228 5.365 1.00 0.00 H new ATOM 0 HA THR A 31 12.282 -5.223 6.959 1.00 0.00 H new ATOM 0 HB THR A 31 15.344 -5.193 7.200 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.924 -6.668 5.673 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.021 -6.848 9.016 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.250 -5.296 9.422 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.257 -6.666 8.870 1.00 0.00 H new ATOM 449 N ALA A 32 13.843 -2.490 7.658 1.00 0.00 N ATOM 450 CA ALA A 32 13.818 -1.332 8.596 1.00 0.00 C ATOM 451 C ALA A 32 12.621 -0.427 8.286 1.00 0.00 C ATOM 452 O ALA A 32 12.195 0.358 9.110 1.00 0.00 O ATOM 453 CB ALA A 32 15.131 -0.589 8.344 1.00 0.00 C ATOM 0 H ALA A 32 14.394 -2.351 6.811 1.00 0.00 H new ATOM 0 HA ALA A 32 13.720 -1.644 9.636 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.189 0.280 8.999 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.970 -1.254 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.171 -0.263 7.305 1.00 0.00 H new ATOM 459 N ALA A 33 12.075 -0.532 7.105 1.00 0.00 N ATOM 460 CA ALA A 33 10.907 0.322 6.746 1.00 0.00 C ATOM 461 C ALA A 33 9.605 -0.344 7.200 1.00 0.00 C ATOM 462 O ALA A 33 8.531 0.004 6.755 1.00 0.00 O ATOM 463 CB ALA A 33 10.948 0.434 5.222 1.00 0.00 C ATOM 0 H ALA A 33 12.387 -1.171 6.374 1.00 0.00 H new ATOM 0 HA ALA A 33 10.949 1.299 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.116 1.050 4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.889 0.892 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.868 -0.560 4.782 1.00 0.00 H new ATOM 469 N ASN A 34 9.694 -1.299 8.083 1.00 0.00 N ATOM 470 CA ASN A 34 8.465 -1.988 8.571 1.00 0.00 C ATOM 471 C ASN A 34 7.664 -2.560 7.395 1.00 0.00 C ATOM 472 O ASN A 34 6.564 -2.125 7.102 1.00 0.00 O ATOM 473 CB ASN A 34 7.668 -0.907 9.297 1.00 0.00 C ATOM 474 CG ASN A 34 6.461 -1.542 9.988 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.064 -2.641 9.655 1.00 0.00 O ATOM 476 ND2 ASN A 34 5.855 -0.892 10.945 1.00 0.00 N ATOM 0 H ASN A 34 10.568 -1.634 8.490 1.00 0.00 H new ATOM 0 HA ASN A 34 8.697 -2.829 9.224 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.299 -0.406 10.031 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.337 -0.147 8.589 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.049 -1.307 11.412 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.188 0.031 11.225 1.00 0.00 H new ATOM 483 N ILE A 35 8.205 -3.542 6.727 1.00 0.00 N ATOM 484 CA ILE A 35 7.480 -4.158 5.580 1.00 0.00 C ATOM 485 C ILE A 35 7.257 -5.647 5.854 1.00 0.00 C ATOM 486 O ILE A 35 8.185 -6.430 5.864 1.00 0.00 O ATOM 487 CB ILE A 35 8.396 -3.965 4.373 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.615 -2.470 4.131 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.747 -4.592 3.137 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.538 -2.276 2.927 1.00 0.00 C ATOM 0 H ILE A 35 9.120 -3.945 6.927 1.00 0.00 H new ATOM 0 HA ILE A 35 6.501 -3.707 5.415 1.00 0.00 H new ATOM 0 HB ILE A 35 9.356 -4.445 4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.660 -1.976 3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.053 -2.008 5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.399 -4.455 2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.591 -5.657 3.309 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.788 -4.111 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.693 -1.211 2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.497 -2.756 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.082 -2.723 2.043 1.00 0.00 H new ATOM 502 N ARG A 36 6.037 -6.041 6.089 1.00 0.00 N ATOM 503 CA ARG A 36 5.764 -7.478 6.375 1.00 0.00 C ATOM 504 C ARG A 36 5.431 -8.231 5.086 1.00 0.00 C ATOM 505 O ARG A 36 4.930 -7.667 4.131 1.00 0.00 O ATOM 506 CB ARG A 36 4.558 -7.472 7.317 1.00 0.00 C ATOM 507 CG ARG A 36 4.820 -6.512 8.478 1.00 0.00 C ATOM 508 CD ARG A 36 4.552 -7.228 9.803 1.00 0.00 C ATOM 509 NE ARG A 36 5.147 -6.343 10.844 1.00 0.00 N ATOM 510 CZ ARG A 36 5.373 -6.806 12.043 1.00 0.00 C ATOM 511 NH1 ARG A 36 6.342 -7.658 12.243 1.00 0.00 N ATOM 512 NH2 ARG A 36 4.630 -6.418 13.043 1.00 0.00 N ATOM 0 H ARG A 36 5.218 -5.432 6.096 1.00 0.00 H new ATOM 0 HA ARG A 36 6.627 -7.977 6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.662 -7.168 6.776 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.375 -8.477 7.697 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.850 -6.158 8.446 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.179 -5.635 8.390 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.484 -7.368 9.967 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.009 -8.217 9.817 1.00 0.00 H new ATOM 0 HE ARG A 36 5.378 -5.375 10.619 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.923 -7.962 11.462 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.518 -8.019 13.180 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.873 -5.753 12.888 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.807 -6.780 13.980 1.00 0.00 H new ATOM 526 N ARG A 37 5.699 -9.508 5.059 1.00 0.00 N ATOM 527 CA ARG A 37 5.396 -10.313 3.844 1.00 0.00 C ATOM 528 C ARG A 37 4.025 -10.975 3.993 1.00 0.00 C ATOM 529 O ARG A 37 3.535 -11.165 5.087 1.00 0.00 O ATOM 530 CB ARG A 37 6.498 -11.371 3.785 1.00 0.00 C ATOM 531 CG ARG A 37 7.494 -11.017 2.681 1.00 0.00 C ATOM 532 CD ARG A 37 8.598 -12.076 2.635 1.00 0.00 C ATOM 533 NE ARG A 37 8.505 -12.670 1.272 1.00 0.00 N ATOM 534 CZ ARG A 37 8.778 -13.934 1.092 1.00 0.00 C ATOM 535 NH1 ARG A 37 8.219 -14.837 1.850 1.00 0.00 N ATOM 536 NH2 ARG A 37 9.610 -14.294 0.153 1.00 0.00 N ATOM 0 H ARG A 37 6.116 -10.029 5.830 1.00 0.00 H new ATOM 0 HA ARG A 37 5.367 -9.708 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.011 -11.430 4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.063 -12.352 3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.984 -10.965 1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.926 -10.033 2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.579 -11.632 2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.452 -12.832 3.406 1.00 0.00 H new ATOM 0 HE ARG A 37 8.228 -12.090 0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.568 -14.556 2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.433 -15.824 1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.047 -13.588 -0.440 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.824 -15.281 0.012 1.00 0.00 H new ATOM 550 N ALA A 38 3.401 -11.326 2.904 1.00 0.00 N ATOM 551 CA ALA A 38 2.062 -11.972 2.997 1.00 0.00 C ATOM 552 C ALA A 38 2.012 -13.223 2.113 1.00 0.00 C ATOM 553 O ALA A 38 2.843 -13.417 1.249 1.00 0.00 O ATOM 554 CB ALA A 38 1.081 -10.914 2.496 1.00 0.00 C ATOM 0 H ALA A 38 3.758 -11.195 1.958 1.00 0.00 H new ATOM 0 HA ALA A 38 1.827 -12.297 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.067 -11.312 2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.146 -10.029 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.329 -10.645 1.469 1.00 0.00 H new ATOM 560 N SER A 39 1.046 -14.073 2.329 1.00 0.00 N ATOM 561 CA SER A 39 0.945 -15.313 1.505 1.00 0.00 C ATOM 562 C SER A 39 0.947 -14.966 0.015 1.00 0.00 C ATOM 563 O SER A 39 1.430 -15.717 -0.807 1.00 0.00 O ATOM 564 CB SER A 39 -0.387 -15.949 1.907 1.00 0.00 C ATOM 565 OG SER A 39 -1.454 -15.132 1.445 1.00 0.00 O ATOM 0 H SER A 39 0.322 -13.964 3.040 1.00 0.00 H new ATOM 0 HA SER A 39 1.786 -15.986 1.672 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.469 -16.949 1.482 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.439 -16.058 2.990 1.00 0.00 H new ATOM 0 HG SER A 39 -2.310 -15.537 1.699 1.00 0.00 H new ATOM 571 N SER A 40 0.409 -13.832 -0.338 1.00 0.00 N ATOM 572 CA SER A 40 0.379 -13.437 -1.776 1.00 0.00 C ATOM 573 C SER A 40 0.059 -11.945 -1.911 1.00 0.00 C ATOM 574 O SER A 40 -0.128 -11.251 -0.933 1.00 0.00 O ATOM 575 CB SER A 40 -0.735 -14.278 -2.398 1.00 0.00 C ATOM 576 OG SER A 40 -0.685 -15.595 -1.866 1.00 0.00 O ATOM 0 H SER A 40 -0.011 -13.161 0.306 1.00 0.00 H new ATOM 0 HA SER A 40 1.338 -13.603 -2.266 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.705 -13.827 -2.191 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.622 -14.307 -3.482 1.00 0.00 H new ATOM 0 HG SER A 40 0.226 -15.947 -1.948 1.00 0.00 H new ATOM 582 N ASP A 41 -0.006 -11.450 -3.117 1.00 0.00 N ATOM 583 CA ASP A 41 -0.315 -10.006 -3.315 1.00 0.00 C ATOM 584 C ASP A 41 -1.552 -9.617 -2.502 1.00 0.00 C ATOM 585 O ASP A 41 -1.750 -8.466 -2.165 1.00 0.00 O ATOM 586 CB ASP A 41 -0.593 -9.867 -4.812 1.00 0.00 C ATOM 587 CG ASP A 41 0.715 -10.017 -5.591 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.415 -10.987 -5.352 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.994 -9.159 -6.413 1.00 0.00 O ATOM 0 H ASP A 41 0.142 -11.984 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 41 0.498 -9.358 -2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.308 -10.625 -5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.043 -8.896 -5.020 1.00 0.00 H new ATOM 594 N ASN A 42 -2.386 -10.569 -2.184 1.00 0.00 N ATOM 595 CA ASN A 42 -3.611 -10.257 -1.395 1.00 0.00 C ATOM 596 C ASN A 42 -3.308 -10.319 0.104 1.00 0.00 C ATOM 597 O ASN A 42 -3.073 -11.376 0.655 1.00 0.00 O ATOM 598 CB ASN A 42 -4.616 -11.342 -1.786 1.00 0.00 C ATOM 599 CG ASN A 42 -5.810 -11.303 -0.831 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.830 -10.720 -1.138 1.00 0.00 O ATOM 601 ND2 ASN A 42 -5.729 -11.909 0.322 1.00 0.00 N ATOM 0 H ASN A 42 -2.272 -11.551 -2.437 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.990 -9.255 -1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.952 -11.188 -2.811 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.141 -12.322 -1.750 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.522 -11.892 0.964 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.873 -12.399 0.581 1.00 0.00 H new ATOM 608 N HIS A 43 -3.310 -9.195 0.768 1.00 0.00 N ATOM 609 CA HIS A 43 -3.022 -9.195 2.231 1.00 0.00 C ATOM 610 C HIS A 43 -3.753 -8.045 2.921 1.00 0.00 C ATOM 611 O HIS A 43 -4.422 -7.251 2.290 1.00 0.00 O ATOM 612 CB HIS A 43 -1.507 -9.014 2.357 1.00 0.00 C ATOM 613 CG HIS A 43 -0.997 -8.047 1.317 1.00 0.00 C ATOM 614 ND1 HIS A 43 -0.943 -6.675 1.534 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.480 -8.247 0.063 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.403 -6.111 0.433 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.107 -7.027 -0.494 1.00 0.00 N ATOM 0 H HIS A 43 -3.498 -8.278 0.362 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.359 -10.117 2.704 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.261 -8.647 3.354 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.010 -9.977 2.240 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.377 -9.207 -0.420 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.231 -5.051 0.316 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.304 -6.866 -1.413 1.00 0.00 H new ATOM 625 N SER A 44 -3.625 -7.950 4.216 1.00 0.00 N ATOM 626 CA SER A 44 -4.306 -6.849 4.951 1.00 0.00 C ATOM 627 C SER A 44 -3.474 -5.571 4.847 1.00 0.00 C ATOM 628 O SER A 44 -2.285 -5.572 5.097 1.00 0.00 O ATOM 629 CB SER A 44 -4.377 -7.324 6.402 1.00 0.00 C ATOM 630 OG SER A 44 -3.134 -7.913 6.765 1.00 0.00 O ATOM 0 H SER A 44 -3.079 -8.587 4.796 1.00 0.00 H new ATOM 0 HA SER A 44 -5.295 -6.627 4.550 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.601 -6.485 7.061 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.184 -8.047 6.521 1.00 0.00 H new ATOM 0 HG SER A 44 -2.399 -7.386 6.386 1.00 0.00 H new ATOM 636 N CYS A 45 -4.084 -4.479 4.484 1.00 0.00 N ATOM 637 CA CYS A 45 -3.314 -3.208 4.370 1.00 0.00 C ATOM 638 C CYS A 45 -3.912 -2.139 5.282 1.00 0.00 C ATOM 639 O CYS A 45 -4.943 -2.334 5.904 1.00 0.00 O ATOM 640 CB CYS A 45 -3.411 -2.786 2.901 1.00 0.00 C ATOM 641 SG CYS A 45 -5.107 -2.999 2.304 1.00 0.00 S ATOM 0 H CYS A 45 -5.077 -4.410 4.262 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.276 -3.339 4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.107 -1.745 2.793 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.727 -3.382 2.297 1.00 0.00 H new ATOM 646 N ALA A 46 -3.265 -1.013 5.377 1.00 0.00 N ATOM 647 CA ALA A 46 -3.783 0.063 6.265 1.00 0.00 C ATOM 648 C ALA A 46 -4.121 -0.534 7.630 1.00 0.00 C ATOM 649 O ALA A 46 -5.122 -0.206 8.236 1.00 0.00 O ATOM 650 CB ALA A 46 -5.045 0.581 5.573 1.00 0.00 C ATOM 0 H ALA A 46 -2.402 -0.791 4.880 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.062 0.864 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.486 1.380 6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.787 0.966 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.763 -0.233 5.469 1.00 0.00 H new ATOM 656 N GLY A 47 -3.295 -1.424 8.112 1.00 0.00 N ATOM 657 CA GLY A 47 -3.567 -2.061 9.429 1.00 0.00 C ATOM 658 C GLY A 47 -4.790 -2.968 9.293 1.00 0.00 C ATOM 659 O GLY A 47 -5.050 -3.517 8.240 1.00 0.00 O ATOM 0 H GLY A 47 -2.442 -1.737 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.702 -2.639 9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.745 -1.299 10.188 1.00 0.00 H new ATOM 663 N ASN A 48 -5.549 -3.126 10.341 1.00 0.00 N ATOM 664 CA ASN A 48 -6.756 -3.988 10.255 1.00 0.00 C ATOM 665 C ASN A 48 -7.949 -3.165 9.761 1.00 0.00 C ATOM 666 O ASN A 48 -9.090 -3.495 10.013 1.00 0.00 O ATOM 667 CB ASN A 48 -6.997 -4.482 11.683 1.00 0.00 C ATOM 668 CG ASN A 48 -7.837 -5.761 11.645 1.00 0.00 C ATOM 669 OD1 ASN A 48 -8.609 -5.967 10.730 1.00 0.00 O ATOM 670 ND2 ASN A 48 -7.719 -6.634 12.607 1.00 0.00 N ATOM 0 H ASN A 48 -5.385 -2.696 11.251 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.627 -4.816 9.558 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.045 -4.674 12.178 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.509 -3.715 12.263 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.275 -7.489 12.591 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.071 -6.462 13.376 1.00 0.00 H new ATOM 677 N ARG A 49 -7.691 -2.086 9.071 1.00 0.00 N ATOM 678 CA ARG A 49 -8.801 -1.231 8.574 1.00 0.00 C ATOM 679 C ARG A 49 -9.078 -1.496 7.092 1.00 0.00 C ATOM 680 O ARG A 49 -10.207 -1.433 6.646 1.00 0.00 O ATOM 681 CB ARG A 49 -8.300 0.196 8.778 1.00 0.00 C ATOM 682 CG ARG A 49 -7.846 0.376 10.229 1.00 0.00 C ATOM 683 CD ARG A 49 -7.213 1.759 10.399 1.00 0.00 C ATOM 684 NE ARG A 49 -6.386 1.654 11.632 1.00 0.00 N ATOM 685 CZ ARG A 49 -5.173 1.177 11.566 1.00 0.00 C ATOM 686 NH1 ARG A 49 -4.196 1.937 11.154 1.00 0.00 N ATOM 687 NH2 ARG A 49 -4.938 -0.059 11.911 1.00 0.00 N ATOM 0 H ARG A 49 -6.754 -1.761 8.831 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.737 -1.427 9.098 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.473 0.403 8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.091 0.908 8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.696 0.268 10.903 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.128 -0.399 10.495 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.603 2.023 9.535 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.975 2.532 10.499 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.767 1.955 12.529 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.380 2.903 10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.248 1.565 11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.702 -0.653 12.232 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.990 -0.431 11.859 1.00 0.00 H new ATOM 701 N GLY A 50 -8.067 -1.785 6.320 1.00 0.00 N ATOM 702 CA GLY A 50 -8.301 -2.039 4.870 1.00 0.00 C ATOM 703 C GLY A 50 -7.790 -3.430 4.494 1.00 0.00 C ATOM 704 O GLY A 50 -7.072 -4.064 5.242 1.00 0.00 O ATOM 0 H GLY A 50 -7.097 -1.856 6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.365 -1.960 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.792 -1.282 4.273 1.00 0.00 H new ATOM 708 N TRP A 51 -8.158 -3.909 3.337 1.00 0.00 N ATOM 709 CA TRP A 51 -7.701 -5.262 2.902 1.00 0.00 C ATOM 710 C TRP A 51 -7.376 -5.245 1.405 1.00 0.00 C ATOM 711 O TRP A 51 -7.650 -4.284 0.717 1.00 0.00 O ATOM 712 CB TRP A 51 -8.889 -6.182 3.181 1.00 0.00 C ATOM 713 CG TRP A 51 -8.643 -6.967 4.429 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.324 -6.814 5.588 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.669 -8.026 4.663 1.00 0.00 C ATOM 716 NE1 TRP A 51 -8.830 -7.711 6.519 1.00 0.00 N ATOM 717 CE2 TRP A 51 -7.809 -8.480 5.997 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.688 -8.630 3.858 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.004 -9.496 6.512 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.876 -9.654 4.372 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.033 -10.086 5.697 1.00 0.00 C ATOM 0 H TRP A 51 -8.757 -3.421 2.671 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.800 -5.588 3.422 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.800 -5.592 3.286 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.042 -6.858 2.340 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.123 -6.107 5.759 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.178 -7.794 7.474 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.558 -8.304 2.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.130 -9.825 7.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.126 -10.111 3.743 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.405 -10.873 6.087 1.00 0.00 H new ATOM 732 N CYS A 52 -6.793 -6.296 0.892 1.00 0.00 N ATOM 733 CA CYS A 52 -6.455 -6.324 -0.562 1.00 0.00 C ATOM 734 C CYS A 52 -7.413 -7.247 -1.321 1.00 0.00 C ATOM 735 O CYS A 52 -7.354 -8.453 -1.197 1.00 0.00 O ATOM 736 CB CYS A 52 -5.033 -6.876 -0.624 1.00 0.00 C ATOM 737 SG CYS A 52 -4.244 -6.339 -2.159 1.00 0.00 S ATOM 0 H CYS A 52 -6.537 -7.134 1.414 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.538 -5.338 -1.019 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.458 -6.527 0.234 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.052 -7.965 -0.574 1.00 0.00 H new ATOM 742 N ARG A 53 -8.290 -6.690 -2.113 1.00 0.00 N ATOM 743 CA ARG A 53 -9.244 -7.541 -2.886 1.00 0.00 C ATOM 744 C ARG A 53 -9.241 -7.123 -4.359 1.00 0.00 C ATOM 745 O ARG A 53 -8.895 -6.007 -4.694 1.00 0.00 O ATOM 746 CB ARG A 53 -10.628 -7.274 -2.283 1.00 0.00 C ATOM 747 CG ARG A 53 -10.558 -7.240 -0.755 1.00 0.00 C ATOM 748 CD ARG A 53 -11.157 -5.924 -0.259 1.00 0.00 C ATOM 749 NE ARG A 53 -10.855 -5.885 1.198 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.352 -6.794 1.991 1.00 0.00 C ATOM 751 NH1 ARG A 53 -10.879 -8.010 1.967 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.323 -6.488 2.807 1.00 0.00 N ATOM 0 H ARG A 53 -8.388 -5.685 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.972 -8.595 -2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.015 -6.325 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.324 -8.049 -2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.104 -8.084 -0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.524 -7.332 -0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.717 -5.071 -0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.231 -5.887 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.260 -5.148 1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.121 -8.250 1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.268 -8.721 2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.694 -5.538 2.825 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.711 -7.199 3.427 1.00 0.00 H new ATOM 766 N SER A 54 -9.640 -7.998 -5.239 1.00 0.00 N ATOM 767 CA SER A 54 -9.676 -7.629 -6.683 1.00 0.00 C ATOM 768 C SER A 54 -10.693 -6.508 -6.885 1.00 0.00 C ATOM 769 O SER A 54 -10.396 -5.469 -7.439 1.00 0.00 O ATOM 770 CB SER A 54 -10.119 -8.899 -7.410 1.00 0.00 C ATOM 771 OG SER A 54 -11.506 -8.811 -7.705 1.00 0.00 O ATOM 0 H SER A 54 -9.942 -8.948 -5.023 1.00 0.00 H new ATOM 0 HA SER A 54 -8.715 -7.274 -7.055 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.547 -9.024 -8.329 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.922 -9.774 -6.791 1.00 0.00 H new ATOM 0 HG SER A 54 -11.793 -9.623 -8.173 1.00 0.00 H new ATOM 777 N LYS A 55 -11.889 -6.715 -6.417 1.00 0.00 N ATOM 778 CA LYS A 55 -12.945 -5.679 -6.545 1.00 0.00 C ATOM 779 C LYS A 55 -13.568 -5.443 -5.161 1.00 0.00 C ATOM 780 O LYS A 55 -13.248 -6.127 -4.209 1.00 0.00 O ATOM 781 CB LYS A 55 -13.951 -6.281 -7.544 1.00 0.00 C ATOM 782 CG LYS A 55 -15.391 -6.080 -7.060 1.00 0.00 C ATOM 783 CD LYS A 55 -16.357 -6.760 -8.034 1.00 0.00 C ATOM 784 CE LYS A 55 -17.515 -7.383 -7.253 1.00 0.00 C ATOM 785 NZ LYS A 55 -18.631 -7.479 -8.235 1.00 0.00 N ATOM 0 H LYS A 55 -12.183 -7.570 -5.945 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.585 -4.712 -6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.823 -5.814 -8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.751 -7.345 -7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.512 -6.498 -6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.617 -5.016 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.738 -6.033 -8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.834 -7.528 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.246 -8.365 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.793 -6.766 -6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -19.464 -7.898 -7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.869 -6.529 -8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.340 -8.078 -9.034 1.00 0.00 H new ATOM 799 N CYS A 56 -14.448 -4.490 -5.034 1.00 0.00 N ATOM 800 CA CYS A 56 -15.065 -4.240 -3.700 1.00 0.00 C ATOM 801 C CYS A 56 -16.482 -3.681 -3.854 1.00 0.00 C ATOM 802 O CYS A 56 -16.913 -3.337 -4.937 1.00 0.00 O ATOM 803 CB CYS A 56 -14.141 -3.227 -3.026 1.00 0.00 C ATOM 804 SG CYS A 56 -12.630 -4.073 -2.497 1.00 0.00 S ATOM 0 H CYS A 56 -14.765 -3.879 -5.787 1.00 0.00 H new ATOM 0 HA CYS A 56 -15.164 -5.153 -3.112 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.899 -2.420 -3.717 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.639 -2.774 -2.169 1.00 0.00 H new ATOM 809 N PHE A 57 -17.214 -3.602 -2.774 1.00 0.00 N ATOM 810 CA PHE A 57 -18.609 -3.079 -2.848 1.00 0.00 C ATOM 811 C PHE A 57 -18.608 -1.548 -2.842 1.00 0.00 C ATOM 812 O PHE A 57 -17.569 -0.917 -2.862 1.00 0.00 O ATOM 813 CB PHE A 57 -19.298 -3.621 -1.595 1.00 0.00 C ATOM 814 CG PHE A 57 -19.553 -5.104 -1.756 1.00 0.00 C ATOM 815 CD1 PHE A 57 -18.478 -5.997 -1.850 1.00 0.00 C ATOM 816 CD2 PHE A 57 -20.867 -5.586 -1.809 1.00 0.00 C ATOM 817 CE1 PHE A 57 -18.717 -7.368 -1.998 1.00 0.00 C ATOM 818 CE2 PHE A 57 -21.105 -6.958 -1.956 1.00 0.00 C ATOM 819 CZ PHE A 57 -20.030 -7.849 -2.050 1.00 0.00 C ATOM 0 H PHE A 57 -16.905 -3.878 -1.842 1.00 0.00 H new ATOM 0 HA PHE A 57 -19.117 -3.388 -3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -18.675 -3.442 -0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.239 -3.096 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.464 -5.627 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -21.697 -4.899 -1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.887 -8.055 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -22.119 -7.329 -1.997 1.00 0.00 H new ATOM 0 HZ PHE A 57 -20.214 -8.907 -2.163 1.00 0.00 H new ATOM 829 N ARG A 58 -19.767 -0.945 -2.823 1.00 0.00 N ATOM 830 CA ARG A 58 -19.834 0.541 -2.825 1.00 0.00 C ATOM 831 C ARG A 58 -19.595 1.092 -1.423 1.00 0.00 C ATOM 832 O ARG A 58 -18.818 2.006 -1.233 1.00 0.00 O ATOM 833 CB ARG A 58 -21.246 0.878 -3.298 1.00 0.00 C ATOM 834 CG ARG A 58 -21.256 2.281 -3.906 1.00 0.00 C ATOM 835 CD ARG A 58 -22.408 3.090 -3.307 1.00 0.00 C ATOM 836 NE ARG A 58 -23.187 3.574 -4.479 1.00 0.00 N ATOM 837 CZ ARG A 58 -22.998 4.781 -4.936 1.00 0.00 C ATOM 838 NH1 ARG A 58 -21.915 5.063 -5.610 1.00 0.00 N ATOM 839 NH2 ARG A 58 -23.889 5.708 -4.717 1.00 0.00 N ATOM 0 H ARG A 58 -20.670 -1.420 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 58 -19.072 0.980 -3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.578 0.148 -4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.943 0.827 -2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -20.307 2.780 -3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -21.366 2.219 -4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -23.023 2.475 -2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -22.037 3.922 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 58 -23.869 2.961 -4.925 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -21.217 4.339 -5.779 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.768 6.007 -5.967 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -24.733 5.489 -4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -23.741 6.652 -5.074 1.00 0.00 H new ATOM 853 N HIS A 59 -20.242 0.542 -0.436 1.00 0.00 N ATOM 854 CA HIS A 59 -20.026 1.043 0.949 1.00 0.00 C ATOM 855 C HIS A 59 -18.526 1.195 1.199 1.00 0.00 C ATOM 856 O HIS A 59 -18.096 1.956 2.044 1.00 0.00 O ATOM 857 CB HIS A 59 -20.625 -0.024 1.866 1.00 0.00 C ATOM 858 CG HIS A 59 -21.291 0.644 3.037 1.00 0.00 C ATOM 859 ND1 HIS A 59 -20.707 1.703 3.714 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.492 0.415 3.662 1.00 0.00 C ATOM 861 CE1 HIS A 59 -21.550 2.070 4.697 1.00 0.00 C ATOM 862 NE2 HIS A 59 -22.653 1.317 4.710 1.00 0.00 N ATOM 0 H HIS A 59 -20.906 -0.227 -0.526 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.488 2.015 1.123 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.348 -0.627 1.317 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.844 -0.701 2.214 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -19.803 2.127 3.505 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -23.203 -0.348 3.383 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -21.358 2.875 5.391 1.00 0.00 H new ATOM 870 N GLU A 60 -17.726 0.474 0.461 1.00 0.00 N ATOM 871 CA GLU A 60 -16.256 0.566 0.635 1.00 0.00 C ATOM 872 C GLU A 60 -15.619 1.057 -0.666 1.00 0.00 C ATOM 873 O GLU A 60 -16.286 1.220 -1.668 1.00 0.00 O ATOM 874 CB GLU A 60 -15.821 -0.863 0.936 1.00 0.00 C ATOM 875 CG GLU A 60 -16.356 -1.282 2.305 1.00 0.00 C ATOM 876 CD GLU A 60 -15.206 -1.820 3.160 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.068 -1.508 2.851 1.00 0.00 O ATOM 878 OE2 GLU A 60 -15.484 -2.534 4.109 1.00 0.00 O ATOM 0 H GLU A 60 -18.034 -0.179 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.960 1.260 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.195 -1.538 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.733 -0.934 0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.824 -0.431 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.125 -2.046 2.189 1.00 0.00 H new ATOM 885 N TYR A 61 -14.338 1.286 -0.668 1.00 0.00 N ATOM 886 CA TYR A 61 -13.680 1.755 -1.918 1.00 0.00 C ATOM 887 C TYR A 61 -12.325 1.078 -2.096 1.00 0.00 C ATOM 888 O TYR A 61 -12.001 0.118 -1.425 1.00 0.00 O ATOM 889 CB TYR A 61 -13.507 3.265 -1.753 1.00 0.00 C ATOM 890 CG TYR A 61 -12.541 3.556 -0.627 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.901 3.277 0.697 1.00 0.00 C ATOM 892 CD2 TYR A 61 -11.288 4.116 -0.908 1.00 0.00 C ATOM 893 CE1 TYR A 61 -12.008 3.557 1.739 1.00 0.00 C ATOM 894 CE2 TYR A 61 -10.397 4.397 0.134 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.756 4.117 1.458 1.00 0.00 C ATOM 896 OH TYR A 61 -9.878 4.394 2.485 1.00 0.00 O ATOM 0 H TYR A 61 -13.721 1.170 0.136 1.00 0.00 H new ATOM 0 HA TYR A 61 -14.273 1.512 -2.799 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -13.138 3.700 -2.681 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -14.471 3.729 -1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.867 2.846 0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -11.010 4.331 -1.929 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -12.285 3.341 2.760 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.432 4.830 -0.083 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.055 4.778 2.117 1.00 0.00 H new ATOM 906 N VAL A 62 -11.535 1.576 -2.999 1.00 0.00 N ATOM 907 CA VAL A 62 -10.194 0.974 -3.237 1.00 0.00 C ATOM 908 C VAL A 62 -9.105 1.936 -2.767 1.00 0.00 C ATOM 909 O VAL A 62 -8.634 2.759 -3.524 1.00 0.00 O ATOM 910 CB VAL A 62 -10.117 0.772 -4.749 1.00 0.00 C ATOM 911 CG1 VAL A 62 -8.681 0.424 -5.147 1.00 0.00 C ATOM 912 CG2 VAL A 62 -11.052 -0.369 -5.157 1.00 0.00 C ATOM 0 H VAL A 62 -11.759 2.379 -3.587 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.052 0.039 -2.695 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.419 1.689 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.627 0.280 -6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.016 1.237 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.376 -0.493 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.999 -0.515 -6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.749 -1.286 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -12.075 -0.120 -4.875 1.00 0.00 H new ATOM 922 N ASP A 63 -8.708 1.845 -1.523 1.00 0.00 N ATOM 923 CA ASP A 63 -7.650 2.762 -1.000 1.00 0.00 C ATOM 924 C ASP A 63 -6.549 2.955 -2.042 1.00 0.00 C ATOM 925 O ASP A 63 -5.584 2.217 -2.084 1.00 0.00 O ATOM 926 CB ASP A 63 -7.088 2.070 0.243 1.00 0.00 C ATOM 927 CG ASP A 63 -6.424 3.108 1.148 1.00 0.00 C ATOM 928 OD1 ASP A 63 -6.011 4.135 0.635 1.00 0.00 O ATOM 929 OD2 ASP A 63 -6.338 2.858 2.339 1.00 0.00 O ATOM 0 H ASP A 63 -9.071 1.174 -0.846 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.049 3.750 -0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.887 1.561 0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.364 1.309 -0.048 1.00 0.00 H new ATOM 934 N THR A 64 -6.682 3.943 -2.881 1.00 0.00 N ATOM 935 CA THR A 64 -5.638 4.180 -3.917 1.00 0.00 C ATOM 936 C THR A 64 -4.274 4.331 -3.244 1.00 0.00 C ATOM 937 O THR A 64 -3.242 4.090 -3.839 1.00 0.00 O ATOM 938 CB THR A 64 -6.042 5.484 -4.605 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.779 6.292 -3.697 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.904 5.173 -5.830 1.00 0.00 C ATOM 0 H THR A 64 -7.466 4.595 -2.895 1.00 0.00 H new ATOM 0 HA THR A 64 -5.563 3.358 -4.628 1.00 0.00 H new ATOM 0 HB THR A 64 -5.146 6.019 -4.921 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.036 7.128 -4.138 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.191 6.104 -6.319 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.336 4.557 -6.527 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.800 4.636 -5.518 1.00 0.00 H new ATOM 948 N TYR A 65 -4.268 4.731 -2.005 1.00 0.00 N ATOM 949 CA TYR A 65 -2.980 4.908 -1.278 1.00 0.00 C ATOM 950 C TYR A 65 -2.309 3.555 -1.028 1.00 0.00 C ATOM 951 O TYR A 65 -1.149 3.365 -1.331 1.00 0.00 O ATOM 952 CB TYR A 65 -3.366 5.557 0.051 1.00 0.00 C ATOM 953 CG TYR A 65 -2.138 6.155 0.694 1.00 0.00 C ATOM 954 CD1 TYR A 65 -1.428 7.171 0.041 1.00 0.00 C ATOM 955 CD2 TYR A 65 -1.707 5.694 1.944 1.00 0.00 C ATOM 956 CE1 TYR A 65 -0.289 7.724 0.637 1.00 0.00 C ATOM 957 CE2 TYR A 65 -0.567 6.247 2.540 1.00 0.00 C ATOM 958 CZ TYR A 65 0.142 7.261 1.887 1.00 0.00 C ATOM 959 OH TYR A 65 1.266 7.807 2.473 1.00 0.00 O ATOM 0 H TYR A 65 -5.104 4.944 -1.461 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.272 5.511 -1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.116 6.330 -0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.812 4.816 0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.760 7.528 -0.923 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.254 4.911 2.449 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.258 8.508 0.133 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.235 5.891 3.504 1.00 0.00 H new ATOM 0 HH TYR A 65 1.427 7.375 3.338 1.00 0.00 H new ATOM 969 N TYR A 66 -3.022 2.618 -0.461 1.00 0.00 N ATOM 970 CA TYR A 66 -2.409 1.286 -0.175 1.00 0.00 C ATOM 971 C TYR A 66 -2.405 0.391 -1.423 1.00 0.00 C ATOM 972 O TYR A 66 -1.860 -0.699 -1.417 1.00 0.00 O ATOM 973 CB TYR A 66 -3.273 0.675 0.923 1.00 0.00 C ATOM 974 CG TYR A 66 -2.706 1.060 2.268 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.484 0.521 2.692 1.00 0.00 C ATOM 976 CD2 TYR A 66 -3.396 1.959 3.089 1.00 0.00 C ATOM 977 CE1 TYR A 66 -0.956 0.881 3.937 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.867 2.319 4.334 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.646 1.780 4.758 1.00 0.00 C ATOM 980 OH TYR A 66 -1.125 2.135 5.986 1.00 0.00 O ATOM 0 H TYR A 66 -3.999 2.716 -0.184 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.367 1.384 0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.301 1.027 0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.298 -0.410 0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.950 -0.172 2.058 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.337 2.375 2.762 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.015 0.465 4.265 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.400 3.012 4.967 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.729 2.768 6.427 1.00 0.00 H new ATOM 990 N SER A 67 -2.999 0.840 -2.493 1.00 0.00 N ATOM 991 CA SER A 67 -3.017 0.010 -3.734 1.00 0.00 C ATOM 992 C SER A 67 -1.599 -0.483 -4.056 1.00 0.00 C ATOM 993 O SER A 67 -1.416 -1.454 -4.762 1.00 0.00 O ATOM 994 CB SER A 67 -3.517 0.951 -4.828 1.00 0.00 C ATOM 995 OG SER A 67 -2.458 1.813 -5.225 1.00 0.00 O ATOM 0 H SER A 67 -3.471 1.741 -2.564 1.00 0.00 H new ATOM 0 HA SER A 67 -3.648 -0.873 -3.636 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.874 0.377 -5.683 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.361 1.537 -4.463 1.00 0.00 H new ATOM 0 HG SER A 67 -2.573 2.689 -4.801 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.595 0.183 -3.545 1.00 0.00 N ATOM 1002 CA ALA A 68 0.808 -0.247 -3.824 1.00 0.00 C ATOM 1003 C ALA A 68 1.089 -1.614 -3.191 1.00 0.00 C ATOM 1004 O ALA A 68 1.244 -2.604 -3.879 1.00 0.00 O ATOM 1005 CB ALA A 68 1.692 0.830 -3.196 1.00 0.00 C ATOM 0 H ALA A 68 -0.686 1.005 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 68 0.996 -0.353 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.740 0.582 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.471 1.794 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.496 0.883 -2.125 1.00 0.00 H new ATOM 1011 N VAL A 69 1.154 -1.683 -1.887 1.00 0.00 N ATOM 1012 CA VAL A 69 1.423 -2.992 -1.227 1.00 0.00 C ATOM 1013 C VAL A 69 0.489 -4.055 -1.804 1.00 0.00 C ATOM 1014 O VAL A 69 0.802 -5.227 -1.818 1.00 0.00 O ATOM 1015 CB VAL A 69 1.154 -2.762 0.268 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.342 -2.619 0.529 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.697 -3.939 1.076 1.00 0.00 C ATOM 0 H VAL A 69 1.033 -0.892 -1.254 1.00 0.00 H new ATOM 0 HA VAL A 69 2.442 -3.342 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 69 1.655 -1.843 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.512 -2.457 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.730 -1.770 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.855 -3.528 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.504 -3.772 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.204 -4.857 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.771 -4.028 0.912 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.653 -3.650 -2.291 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.604 -4.638 -2.876 1.00 0.00 C ATOM 1029 C CYS A 70 -1.032 -5.222 -4.172 1.00 0.00 C ATOM 1030 O CYS A 70 -1.089 -6.413 -4.405 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.875 -3.841 -3.162 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.161 -4.330 -1.988 1.00 0.00 S ATOM 0 H CYS A 70 -0.968 -2.680 -2.309 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.791 -5.478 -2.206 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.675 -2.773 -3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.210 -4.022 -4.183 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.483 -4.393 -5.018 1.00 0.00 N ATOM 1038 CA GLY A 71 0.091 -4.902 -6.297 1.00 0.00 C ATOM 1039 C GLY A 71 -1.034 -5.146 -7.303 1.00 0.00 C ATOM 1040 O GLY A 71 -1.811 -4.264 -7.608 1.00 0.00 O ATOM 0 H GLY A 71 -0.407 -3.385 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.803 -4.182 -6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.640 -5.827 -6.118 1.00 0.00 H new ATOM 1044 N ARG A 72 -1.129 -6.340 -7.824 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.206 -6.640 -8.813 1.00 0.00 C ATOM 1046 C ARG A 72 -3.575 -6.307 -8.215 1.00 0.00 C ATOM 1047 O ARG A 72 -4.427 -5.737 -8.867 1.00 0.00 O ATOM 1048 CB ARG A 72 -2.089 -8.140 -9.084 1.00 0.00 C ATOM 1049 CG ARG A 72 -1.354 -8.366 -10.408 1.00 0.00 C ATOM 1050 CD ARG A 72 -2.367 -8.404 -11.555 1.00 0.00 C ATOM 1051 NE ARG A 72 -1.943 -9.551 -12.404 1.00 0.00 N ATOM 1052 CZ ARG A 72 -2.238 -9.567 -13.675 1.00 0.00 C ATOM 1053 NH1 ARG A 72 -3.462 -9.805 -14.058 1.00 0.00 N ATOM 1054 NH2 ARG A 72 -1.308 -9.343 -14.564 1.00 0.00 N ATOM 0 H ARG A 72 -0.508 -7.120 -7.608 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.106 -6.053 -9.726 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.551 -8.626 -8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.080 -8.591 -9.125 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.630 -7.569 -10.575 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.795 -9.301 -10.371 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.382 -8.543 -11.181 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.360 -7.471 -12.119 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.422 -10.325 -11.992 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.189 -9.979 -13.364 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.692 -9.817 -15.052 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.351 -9.156 -14.265 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.539 -9.356 -15.558 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.789 -6.656 -6.977 1.00 0.00 N ATOM 1069 CA TYR A 73 -5.101 -6.358 -6.333 1.00 0.00 C ATOM 1070 C TYR A 73 -5.133 -4.907 -5.852 1.00 0.00 C ATOM 1071 O TYR A 73 -4.184 -4.167 -6.019 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.183 -7.311 -5.139 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.409 -8.720 -5.628 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -6.713 -9.195 -5.814 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -4.316 -9.554 -5.891 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -6.923 -10.503 -6.264 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -4.526 -10.862 -6.340 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.829 -11.337 -6.527 1.00 0.00 C ATOM 1079 OH TYR A 73 -6.036 -12.628 -6.970 1.00 0.00 O ATOM 0 H TYR A 73 -3.113 -7.135 -6.382 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.936 -6.489 -7.021 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.262 -7.261 -4.557 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.995 -7.011 -4.477 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.556 -8.552 -5.610 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.310 -9.187 -5.747 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.929 -10.870 -6.409 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.682 -11.505 -6.542 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.172 -13.070 -7.105 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.213 -4.498 -5.246 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.299 -3.096 -4.742 1.00 0.00 C ATOM 1091 C PHE A 74 -6.649 -3.114 -3.256 1.00 0.00 C ATOM 1092 O PHE A 74 -7.472 -3.891 -2.814 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.421 -2.417 -5.536 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.491 -2.980 -6.934 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -6.333 -3.073 -7.714 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -8.719 -3.410 -7.446 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -6.406 -3.600 -9.010 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -8.792 -3.936 -8.740 1.00 0.00 C ATOM 1099 CZ PHE A 74 -7.636 -4.031 -9.523 1.00 0.00 C ATOM 0 H PHE A 74 -7.039 -5.072 -5.078 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.355 -2.565 -4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.375 -2.565 -5.029 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.246 -1.342 -5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.385 -2.739 -7.318 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.611 -3.336 -6.842 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.514 -3.674 -9.614 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.741 -4.269 -9.135 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.692 -4.436 -10.522 1.00 0.00 H new ATOM 1109 N CYS A 75 -6.035 -2.271 -2.479 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.342 -2.257 -1.026 1.00 0.00 C ATOM 1111 C CYS A 75 -7.611 -1.447 -0.764 1.00 0.00 C ATOM 1112 O CYS A 75 -7.582 -0.236 -0.736 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.142 -1.582 -0.367 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.528 -1.258 1.372 1.00 0.00 S ATOM 0 H CYS A 75 -5.337 -1.594 -2.785 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.511 -3.260 -0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.262 -2.220 -0.444 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.906 -0.650 -0.880 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.724 -2.097 -0.565 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.976 -1.334 -0.300 1.00 0.00 C ATOM 1121 C CYS A 76 -10.007 -0.883 1.157 1.00 0.00 C ATOM 1122 O CYS A 76 -9.148 -1.226 1.947 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.121 -2.304 -0.575 1.00 0.00 C ATOM 1124 SG CYS A 76 -11.249 -2.608 -2.354 1.00 0.00 S ATOM 0 H CYS A 76 -8.821 -3.112 -0.574 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.049 -0.443 -0.924 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.950 -3.242 -0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.057 -1.892 -0.198 1.00 0.00 H new ATOM 1129 N ARG A 77 -10.994 -0.118 1.516 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.090 0.364 2.921 1.00 0.00 C ATOM 1131 C ARG A 77 -12.518 0.814 3.224 1.00 0.00 C ATOM 1132 O ARG A 77 -13.390 0.761 2.379 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.129 1.550 2.993 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.765 1.078 3.500 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.119 2.190 4.330 1.00 0.00 C ATOM 1136 NE ARG A 77 -9.131 2.529 5.368 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.991 3.609 6.087 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -8.091 3.654 7.031 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -9.752 4.644 5.861 1.00 0.00 N ATOM 0 H ARG A 77 -11.741 0.196 0.897 1.00 0.00 H new ATOM 0 HA ARG A 77 -10.840 -0.411 3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.024 2.006 2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.530 2.315 3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.881 0.178 4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.123 0.817 2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.186 1.854 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.880 3.056 3.713 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.933 1.917 5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.496 2.844 7.207 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.982 4.499 7.592 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.455 4.608 5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.644 5.489 6.422 1.00 0.00 H new ATOM 1153 N SER A 78 -12.764 1.261 4.422 1.00 0.00 N ATOM 1154 CA SER A 78 -14.138 1.720 4.775 1.00 0.00 C ATOM 1155 C SER A 78 -14.146 3.233 5.006 1.00 0.00 C ATOM 1156 O SER A 78 -14.022 3.702 6.120 1.00 0.00 O ATOM 1157 CB SER A 78 -14.487 0.977 6.064 1.00 0.00 C ATOM 1158 OG SER A 78 -15.840 0.547 6.006 1.00 0.00 O ATOM 0 H SER A 78 -12.076 1.329 5.172 1.00 0.00 H new ATOM 0 HA SER A 78 -14.858 1.516 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.826 0.120 6.194 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.337 1.628 6.925 1.00 0.00 H new ATOM 0 HG SER A 78 -16.067 0.068 6.831 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.291 4.000 3.959 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.308 5.483 4.115 1.00 0.00 C ATOM 1166 C ARG A 79 -15.379 5.898 5.127 1.00 0.00 C ATOM 1167 O ARG A 79 -15.350 7.039 5.557 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.644 6.023 2.724 1.00 0.00 C ATOM 1169 CG ARG A 79 -14.057 7.425 2.565 1.00 0.00 C ATOM 1170 CD ARG A 79 -12.932 7.394 1.527 1.00 0.00 C ATOM 1171 NE ARG A 79 -11.846 8.227 2.113 1.00 0.00 N ATOM 1172 CZ ARG A 79 -10.612 8.063 1.720 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -10.362 7.692 0.495 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -9.630 8.268 2.554 1.00 0.00 N ATOM 1175 OXT ARG A 79 -16.210 5.066 5.454 1.00 0.00 O ATOM 0 H ARG A 79 -14.398 3.663 3.002 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.358 5.870 4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.242 5.360 1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.725 6.052 2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.834 8.123 2.253 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.674 7.781 3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.592 6.375 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.266 7.796 0.571 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.066 8.926 2.822 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.131 7.530 -0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.398 7.564 0.188 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.827 8.556 3.512 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.666 8.140 2.248 1.00 0.00 H new