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 19:sc= -1.59! 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 108:sc= 1.12 USER MOD Single : A 34 ASN : amide:sc= -4.72! C(o=-4.7!,f=-3.8!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 11:sc= 0.729 USER MOD Single : A 42 ASN : amide:sc= -5.35! C(o=-5.3!,f=-8.7!) USER MOD Single : A 43 HIS : no HD1:sc= -21.7! C(o=-22!,f=-23!) USER MOD Single : A 44 SER OG : rot 89:sc= -1.05! USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.125 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.17) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.158 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0781 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0832 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 -31:sc= 0.753! USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 5 8.216 4.137 -1.959 1.00 0.00 N ATOM 70 CA PRO A 5 7.006 4.809 -1.443 1.00 0.00 C ATOM 71 C PRO A 5 6.916 4.635 0.074 1.00 0.00 C ATOM 72 O PRO A 5 7.580 3.801 0.657 1.00 0.00 O ATOM 73 CB PRO A 5 5.863 4.083 -2.139 1.00 0.00 C ATOM 74 CG PRO A 5 6.407 2.732 -2.484 1.00 0.00 C ATOM 75 CD PRO A 5 7.903 2.870 -2.629 1.00 0.00 C ATOM 0 HA PRO A 5 6.996 5.882 -1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.993 4.002 -1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.543 4.618 -3.033 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.162 2.010 -1.705 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.964 2.365 -3.410 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.427 2.034 -2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.201 2.890 -3.677 1.00 0.00 H new ATOM 83 N ALA A 6 6.102 5.419 0.711 1.00 0.00 N ATOM 84 CA ALA A 6 5.959 5.315 2.187 1.00 0.00 C ATOM 85 C ALA A 6 4.985 4.190 2.551 1.00 0.00 C ATOM 86 O ALA A 6 5.038 3.637 3.631 1.00 0.00 O ATOM 87 CB ALA A 6 5.404 6.671 2.628 1.00 0.00 C ATOM 0 H ALA A 6 5.523 6.134 0.271 1.00 0.00 H new ATOM 0 HA ALA A 6 6.905 5.083 2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.270 6.675 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.102 7.459 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.444 6.847 2.143 1.00 0.00 H new ATOM 93 N ILE A 7 4.093 3.854 1.661 1.00 0.00 N ATOM 94 CA ILE A 7 3.113 2.768 1.961 1.00 0.00 C ATOM 95 C ILE A 7 3.836 1.489 2.404 1.00 0.00 C ATOM 96 O ILE A 7 3.562 0.944 3.455 1.00 0.00 O ATOM 97 CB ILE A 7 2.329 2.538 0.657 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.671 1.156 0.686 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.260 2.617 -0.556 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.908 0.980 1.997 1.00 0.00 C ATOM 0 H ILE A 7 3.999 4.282 0.740 1.00 0.00 H new ATOM 0 HA ILE A 7 2.447 3.043 2.779 1.00 0.00 H new ATOM 0 HB ILE A 7 1.568 3.314 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.992 1.048 -0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.429 0.379 0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.685 2.451 -1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.725 3.602 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.033 1.854 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.440 -0.004 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.599 1.070 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.139 1.749 2.077 1.00 0.00 H new ATOM 112 N TYR A 8 4.748 1.004 1.614 1.00 0.00 N ATOM 113 CA TYR A 8 5.475 -0.241 1.992 1.00 0.00 C ATOM 114 C TYR A 8 5.976 -0.142 3.432 1.00 0.00 C ATOM 115 O TYR A 8 6.136 -1.136 4.113 1.00 0.00 O ATOM 116 CB TYR A 8 6.636 -0.332 1.000 1.00 0.00 C ATOM 117 CG TYR A 8 6.095 -0.534 -0.402 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.711 -0.603 -0.626 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.979 -0.650 -1.481 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.217 -0.788 -1.919 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.481 -0.835 -2.777 1.00 0.00 C ATOM 122 CZ TYR A 8 5.101 -0.904 -2.996 1.00 0.00 C ATOM 123 OH TYR A 8 4.612 -1.085 -4.274 1.00 0.00 O ATOM 0 H TYR A 8 5.024 1.414 0.722 1.00 0.00 H new ATOM 0 HA TYR A 8 4.843 -1.128 1.949 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.235 0.578 1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.293 -1.159 1.269 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.026 -0.513 0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.045 -0.597 -1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.152 -0.842 -2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.164 -0.925 -3.609 1.00 0.00 H new ATOM 0 HH TYR A 8 5.360 -1.145 -4.905 1.00 0.00 H new ATOM 133 N ILE A 9 6.208 1.048 3.908 1.00 0.00 N ATOM 134 CA ILE A 9 6.678 1.201 5.313 1.00 0.00 C ATOM 135 C ILE A 9 5.527 0.890 6.270 1.00 0.00 C ATOM 136 O ILE A 9 4.395 1.262 6.033 1.00 0.00 O ATOM 137 CB ILE A 9 7.108 2.662 5.440 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.143 2.986 4.360 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.726 2.893 6.820 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.750 4.364 4.631 1.00 0.00 C ATOM 0 H ILE A 9 6.093 1.918 3.388 1.00 0.00 H new ATOM 0 HA ILE A 9 7.497 0.525 5.557 1.00 0.00 H new ATOM 0 HB ILE A 9 6.239 3.308 5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.926 2.227 4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.674 2.971 3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.033 3.935 6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.991 2.662 7.591 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.595 2.247 6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.487 4.595 3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.963 5.118 4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.233 4.363 5.608 1.00 0.00 H new ATOM 152 N GLY A 10 5.800 0.198 7.340 1.00 0.00 N ATOM 153 CA GLY A 10 4.711 -0.145 8.291 1.00 0.00 C ATOM 154 C GLY A 10 3.545 -0.727 7.497 1.00 0.00 C ATOM 155 O GLY A 10 2.392 -0.502 7.805 1.00 0.00 O ATOM 0 H GLY A 10 6.727 -0.143 7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.065 -0.865 9.029 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.392 0.742 8.839 1.00 0.00 H new ATOM 159 N ALA A 11 3.844 -1.469 6.465 1.00 0.00 N ATOM 160 CA ALA A 11 2.754 -2.062 5.633 1.00 0.00 C ATOM 161 C ALA A 11 2.903 -3.583 5.559 1.00 0.00 C ATOM 162 O ALA A 11 3.585 -4.187 6.362 1.00 0.00 O ATOM 163 CB ALA A 11 2.931 -1.437 4.249 1.00 0.00 C ATOM 0 H ALA A 11 4.792 -1.691 6.162 1.00 0.00 H new ATOM 0 HA ALA A 11 1.766 -1.865 6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.166 -1.822 3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.836 -0.354 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.917 -1.689 3.859 1.00 0.00 H new ATOM 169 N THR A 12 2.271 -4.209 4.601 1.00 0.00 N ATOM 170 CA THR A 12 2.385 -5.694 4.487 1.00 0.00 C ATOM 171 C THR A 12 2.155 -6.136 3.042 1.00 0.00 C ATOM 172 O THR A 12 1.039 -6.343 2.625 1.00 0.00 O ATOM 173 CB THR A 12 1.282 -6.251 5.390 1.00 0.00 C ATOM 174 OG1 THR A 12 1.668 -6.112 6.750 1.00 0.00 O ATOM 175 CG2 THR A 12 1.054 -7.729 5.068 1.00 0.00 C ATOM 0 H THR A 12 1.685 -3.761 3.897 1.00 0.00 H new ATOM 0 HA THR A 12 3.373 -6.050 4.778 1.00 0.00 H new ATOM 0 HB THR A 12 0.358 -5.699 5.218 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.377 -5.440 6.822 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.268 -8.125 5.712 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.755 -7.832 4.025 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.976 -8.285 5.238 1.00 0.00 H new ATOM 183 N VAL A 13 3.197 -6.286 2.274 1.00 0.00 N ATOM 184 CA VAL A 13 3.016 -6.716 0.856 1.00 0.00 C ATOM 185 C VAL A 13 3.021 -8.245 0.761 1.00 0.00 C ATOM 186 O VAL A 13 3.016 -8.939 1.759 1.00 0.00 O ATOM 187 CB VAL A 13 4.212 -6.122 0.105 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.432 -4.675 0.550 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.469 -6.940 0.411 1.00 0.00 C ATOM 0 H VAL A 13 4.163 -6.131 2.563 1.00 0.00 H new ATOM 0 HA VAL A 13 2.067 -6.378 0.439 1.00 0.00 H new ATOM 0 HB VAL A 13 4.011 -6.148 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.283 -4.255 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.540 -4.088 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.630 -4.650 1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.318 -6.516 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.667 -6.916 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.318 -7.972 0.093 1.00 0.00 H new ATOM 199 N GLY A 14 3.034 -8.775 -0.432 1.00 0.00 N ATOM 200 CA GLY A 14 3.042 -10.257 -0.591 1.00 0.00 C ATOM 201 C GLY A 14 4.465 -10.728 -0.896 1.00 0.00 C ATOM 202 O GLY A 14 5.417 -10.002 -0.689 1.00 0.00 O ATOM 0 H GLY A 14 3.039 -8.245 -1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.677 -10.733 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.369 -10.551 -1.397 1.00 0.00 H new ATOM 206 N PRO A 15 4.561 -11.936 -1.382 1.00 0.00 N ATOM 207 CA PRO A 15 5.883 -12.516 -1.722 1.00 0.00 C ATOM 208 C PRO A 15 6.443 -11.865 -2.990 1.00 0.00 C ATOM 209 O PRO A 15 7.582 -11.445 -3.033 1.00 0.00 O ATOM 210 CB PRO A 15 5.576 -13.992 -1.955 1.00 0.00 C ATOM 211 CG PRO A 15 4.131 -14.032 -2.337 1.00 0.00 C ATOM 212 CD PRO A 15 3.461 -12.865 -1.657 1.00 0.00 C ATOM 0 HA PRO A 15 6.633 -12.360 -0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.204 -14.406 -2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.763 -14.580 -1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.016 -13.965 -3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.676 -14.972 -2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.705 -12.410 -2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.959 -13.172 -0.740 1.00 0.00 H new ATOM 220 N SER A 16 5.650 -11.778 -4.024 1.00 0.00 N ATOM 221 CA SER A 16 6.140 -11.153 -5.286 1.00 0.00 C ATOM 222 C SER A 16 6.492 -9.683 -5.045 1.00 0.00 C ATOM 223 O SER A 16 7.575 -9.232 -5.366 1.00 0.00 O ATOM 224 CB SER A 16 4.973 -11.269 -6.266 1.00 0.00 C ATOM 225 OG SER A 16 5.265 -10.514 -7.434 1.00 0.00 O ATOM 0 H SER A 16 4.687 -12.112 -4.049 1.00 0.00 H new ATOM 0 HA SER A 16 7.040 -11.638 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.804 -12.314 -6.527 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.056 -10.904 -5.803 1.00 0.00 H new ATOM 0 HG SER A 16 4.519 -10.587 -8.066 1.00 0.00 H new ATOM 231 N VAL A 17 5.586 -8.932 -4.481 1.00 0.00 N ATOM 232 CA VAL A 17 5.870 -7.492 -4.219 1.00 0.00 C ATOM 233 C VAL A 17 7.104 -7.356 -3.326 1.00 0.00 C ATOM 234 O VAL A 17 7.983 -6.558 -3.582 1.00 0.00 O ATOM 235 CB VAL A 17 4.628 -6.965 -3.501 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.869 -5.521 -3.060 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.430 -7.013 -4.451 1.00 0.00 C ATOM 0 H VAL A 17 4.662 -9.253 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 17 6.075 -6.937 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 17 4.424 -7.584 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.984 -5.144 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.723 -5.485 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.073 -4.903 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.544 -6.637 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.634 -6.394 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.257 -8.042 -4.767 1.00 0.00 H new ATOM 247 N TRP A 18 7.180 -8.131 -2.280 1.00 0.00 N ATOM 248 CA TRP A 18 8.362 -8.045 -1.377 1.00 0.00 C ATOM 249 C TRP A 18 9.651 -8.123 -2.197 1.00 0.00 C ATOM 250 O TRP A 18 10.427 -7.189 -2.244 1.00 0.00 O ATOM 251 CB TRP A 18 8.242 -9.255 -0.450 1.00 0.00 C ATOM 252 CG TRP A 18 9.309 -9.189 0.594 1.00 0.00 C ATOM 253 CD1 TRP A 18 9.555 -8.120 1.385 1.00 0.00 C ATOM 254 CD2 TRP A 18 10.276 -10.211 0.973 1.00 0.00 C ATOM 255 NE1 TRP A 18 10.611 -8.421 2.226 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.089 -9.698 2.011 1.00 0.00 C ATOM 257 CE3 TRP A 18 10.524 -11.520 0.521 1.00 0.00 C ATOM 258 CZ2 TRP A 18 12.112 -10.456 2.581 1.00 0.00 C ATOM 259 CZ3 TRP A 18 11.553 -12.287 1.093 1.00 0.00 C ATOM 260 CH2 TRP A 18 12.345 -11.755 2.121 1.00 0.00 C ATOM 0 H TRP A 18 6.476 -8.819 -2.012 1.00 0.00 H new ATOM 0 HA TRP A 18 8.392 -7.109 -0.820 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.259 -9.271 0.020 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.336 -10.177 -1.024 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.015 -7.185 1.364 1.00 0.00 H new ATOM 0 HE1 TRP A 18 10.990 -7.778 2.921 1.00 0.00 H new ATOM 0 HE3 TRP A 18 9.920 -11.938 -0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.720 -10.042 3.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 11.735 -13.291 0.739 1.00 0.00 H new ATOM 0 HH2 TRP A 18 13.135 -12.349 2.557 1.00 0.00 H new ATOM 271 N ALA A 19 9.882 -9.230 -2.847 1.00 0.00 N ATOM 272 CA ALA A 19 11.119 -9.371 -3.668 1.00 0.00 C ATOM 273 C ALA A 19 11.331 -8.120 -4.524 1.00 0.00 C ATOM 274 O ALA A 19 12.445 -7.687 -4.744 1.00 0.00 O ATOM 275 CB ALA A 19 10.870 -10.592 -4.555 1.00 0.00 C ATOM 0 H ALA A 19 9.268 -10.044 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 19 12.011 -9.490 -3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.738 -10.762 -5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.701 -11.468 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.993 -10.417 -5.178 1.00 0.00 H new ATOM 281 N TYR A 20 10.270 -7.535 -5.007 1.00 0.00 N ATOM 282 CA TYR A 20 10.411 -6.311 -5.847 1.00 0.00 C ATOM 283 C TYR A 20 11.051 -5.183 -5.035 1.00 0.00 C ATOM 284 O TYR A 20 12.112 -4.691 -5.365 1.00 0.00 O ATOM 285 CB TYR A 20 8.984 -5.936 -6.247 1.00 0.00 C ATOM 286 CG TYR A 20 9.024 -4.842 -7.287 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.116 -5.170 -8.645 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.971 -3.500 -6.893 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.154 -4.155 -9.609 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.009 -2.485 -7.857 1.00 0.00 C ATOM 291 CZ TYR A 20 9.101 -2.813 -9.215 1.00 0.00 C ATOM 292 OH TYR A 20 9.138 -1.812 -10.164 1.00 0.00 O ATOM 0 H TYR A 20 9.312 -7.851 -4.857 1.00 0.00 H new ATOM 0 HA TYR A 20 11.047 -6.480 -6.716 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.464 -6.809 -6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.426 -5.601 -5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.158 -6.206 -8.949 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.901 -3.247 -5.845 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.224 -4.408 -10.657 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.967 -1.449 -7.553 1.00 0.00 H new ATOM 0 HH TYR A 20 9.091 -0.939 -9.721 1.00 0.00 H new ATOM 302 N LEU A 21 10.414 -4.771 -3.974 1.00 0.00 N ATOM 303 CA LEU A 21 10.982 -3.676 -3.139 1.00 0.00 C ATOM 304 C LEU A 21 12.449 -3.968 -2.812 1.00 0.00 C ATOM 305 O LEU A 21 13.265 -3.072 -2.723 1.00 0.00 O ATOM 306 CB LEU A 21 10.135 -3.679 -1.866 1.00 0.00 C ATOM 307 CG LEU A 21 10.189 -2.300 -1.209 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.322 -2.303 0.051 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.635 -1.970 -0.831 1.00 0.00 C ATOM 0 H LEU A 21 9.523 -5.146 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 21 10.958 -2.710 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.104 -3.939 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.503 -4.437 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 21 9.816 -1.550 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.359 -1.320 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.292 -2.538 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.696 -3.053 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.673 -0.987 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.009 -2.719 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.254 -1.969 -1.728 1.00 0.00 H new ATOM 321 N VAL A 22 12.792 -5.215 -2.634 1.00 0.00 N ATOM 322 CA VAL A 22 14.207 -5.561 -2.316 1.00 0.00 C ATOM 323 C VAL A 22 15.128 -5.102 -3.446 1.00 0.00 C ATOM 324 O VAL A 22 16.118 -4.433 -3.225 1.00 0.00 O ATOM 325 CB VAL A 22 14.225 -7.085 -2.197 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.671 -7.571 -2.085 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.446 -7.508 -0.950 1.00 0.00 C ATOM 0 H VAL A 22 12.154 -6.009 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 22 14.556 -5.077 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 22 13.762 -7.524 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.684 -8.658 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.226 -7.270 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.135 -7.132 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.458 -8.595 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.908 -7.069 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.415 -7.162 -1.030 1.00 0.00 H new ATOM 337 N ALA A 23 14.807 -5.460 -4.655 1.00 0.00 N ATOM 338 CA ALA A 23 15.656 -5.051 -5.809 1.00 0.00 C ATOM 339 C ALA A 23 15.793 -3.527 -5.853 1.00 0.00 C ATOM 340 O ALA A 23 16.853 -2.996 -6.119 1.00 0.00 O ATOM 341 CB ALA A 23 14.915 -5.559 -7.045 1.00 0.00 C ATOM 0 H ALA A 23 13.990 -6.021 -4.897 1.00 0.00 H new ATOM 0 HA ALA A 23 16.665 -5.457 -5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.478 -5.296 -7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.810 -6.642 -6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.927 -5.101 -7.091 1.00 0.00 H new ATOM 347 N LEU A 24 14.727 -2.818 -5.595 1.00 0.00 N ATOM 348 CA LEU A 24 14.796 -1.332 -5.623 1.00 0.00 C ATOM 349 C LEU A 24 15.809 -0.831 -4.591 1.00 0.00 C ATOM 350 O LEU A 24 16.563 0.089 -4.840 1.00 0.00 O ATOM 351 CB LEU A 24 13.387 -0.867 -5.263 1.00 0.00 C ATOM 352 CG LEU A 24 13.109 0.483 -5.925 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.098 0.313 -7.445 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.748 1.008 -5.463 1.00 0.00 C ATOM 0 H LEU A 24 13.812 -3.206 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 24 15.117 -0.949 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.654 -1.603 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.287 -0.781 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 24 13.887 1.192 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.900 1.275 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.067 -0.061 -7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.320 -0.396 -7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.550 1.970 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.970 0.299 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.753 1.129 -4.380 1.00 0.00 H new ATOM 366 N VAL A 25 15.831 -1.431 -3.433 1.00 0.00 N ATOM 367 CA VAL A 25 16.796 -0.992 -2.383 1.00 0.00 C ATOM 368 C VAL A 25 17.621 -2.190 -1.887 1.00 0.00 C ATOM 369 O VAL A 25 18.682 -2.476 -2.405 1.00 0.00 O ATOM 370 CB VAL A 25 15.935 -0.392 -1.256 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.628 -1.179 -1.105 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.707 -0.432 0.064 1.00 0.00 C ATOM 0 H VAL A 25 15.223 -2.206 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 25 17.512 -0.260 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 25 15.700 0.641 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.031 -0.742 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.068 -1.137 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.854 -2.218 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.093 -0.006 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.953 -1.465 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.626 0.147 -0.034 1.00 0.00 H new ATOM 382 N GLY A 26 17.149 -2.891 -0.891 1.00 0.00 N ATOM 383 CA GLY A 26 17.914 -4.059 -0.374 1.00 0.00 C ATOM 384 C GLY A 26 17.193 -4.640 0.843 1.00 0.00 C ATOM 385 O GLY A 26 16.308 -4.024 1.404 1.00 0.00 O ATOM 0 H GLY A 26 16.267 -2.704 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.009 -4.818 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.924 -3.754 -0.101 1.00 0.00 H new ATOM 389 N ALA A 27 17.560 -5.822 1.254 1.00 0.00 N ATOM 390 CA ALA A 27 16.891 -6.442 2.431 1.00 0.00 C ATOM 391 C ALA A 27 17.088 -5.577 3.679 1.00 0.00 C ATOM 392 O ALA A 27 16.360 -5.694 4.645 1.00 0.00 O ATOM 393 CB ALA A 27 17.574 -7.799 2.604 1.00 0.00 C ATOM 0 H ALA A 27 18.294 -6.385 0.825 1.00 0.00 H new ATOM 0 HA ALA A 27 15.815 -6.540 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 27 17.136 -8.321 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.434 -8.394 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.640 -7.650 2.779 1.00 0.00 H new ATOM 399 N ALA A 28 18.062 -4.709 3.670 1.00 0.00 N ATOM 400 CA ALA A 28 18.292 -3.846 4.857 1.00 0.00 C ATOM 401 C ALA A 28 17.197 -2.785 4.950 1.00 0.00 C ATOM 402 O ALA A 28 16.428 -2.756 5.889 1.00 0.00 O ATOM 403 CB ALA A 28 19.656 -3.197 4.623 1.00 0.00 C ATOM 0 H ALA A 28 18.706 -4.562 2.893 1.00 0.00 H new ATOM 0 HA ALA A 28 18.270 -4.409 5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.896 -2.543 5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.418 -3.972 4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.628 -2.613 3.703 1.00 0.00 H new ATOM 409 N ALA A 29 17.110 -1.921 3.978 1.00 0.00 N ATOM 410 CA ALA A 29 16.050 -0.876 4.016 1.00 0.00 C ATOM 411 C ALA A 29 14.678 -1.544 3.933 1.00 0.00 C ATOM 412 O ALA A 29 13.675 -0.979 4.321 1.00 0.00 O ATOM 413 CB ALA A 29 16.297 -0.003 2.786 1.00 0.00 C ATOM 0 H ALA A 29 17.723 -1.893 3.163 1.00 0.00 H new ATOM 0 HA ALA A 29 16.075 -0.287 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.551 0.791 2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.293 0.436 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.223 -0.613 1.886 1.00 0.00 H new ATOM 419 N VAL A 30 14.632 -2.750 3.435 1.00 0.00 N ATOM 420 CA VAL A 30 13.330 -3.462 3.332 1.00 0.00 C ATOM 421 C VAL A 30 12.905 -3.966 4.714 1.00 0.00 C ATOM 422 O VAL A 30 11.733 -4.036 5.027 1.00 0.00 O ATOM 423 CB VAL A 30 13.589 -4.637 2.390 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.432 -5.633 2.486 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.700 -4.125 0.952 1.00 0.00 C ATOM 0 H VAL A 30 15.440 -3.271 3.096 1.00 0.00 H new ATOM 0 HA VAL A 30 12.532 -2.818 2.962 1.00 0.00 H new ATOM 0 HB VAL A 30 14.519 -5.130 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.617 -6.471 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.351 -5.999 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.502 -5.139 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.885 -4.963 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.770 -3.631 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.524 -3.415 0.881 1.00 0.00 H new ATOM 435 N THR A 31 13.851 -4.317 5.544 1.00 0.00 N ATOM 436 CA THR A 31 13.500 -4.814 6.905 1.00 0.00 C ATOM 437 C THR A 31 13.512 -3.656 7.906 1.00 0.00 C ATOM 438 O THR A 31 13.001 -3.765 9.003 1.00 0.00 O ATOM 439 CB THR A 31 14.586 -5.834 7.249 1.00 0.00 C ATOM 440 OG1 THR A 31 14.751 -6.731 6.159 1.00 0.00 O ATOM 441 CG2 THR A 31 14.177 -6.614 8.498 1.00 0.00 C ATOM 0 H THR A 31 14.849 -4.281 5.338 1.00 0.00 H new ATOM 0 HA THR A 31 12.504 -5.256 6.941 1.00 0.00 H new ATOM 0 HB THR A 31 15.526 -5.316 7.440 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.599 -6.543 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.951 -7.341 8.743 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.050 -5.924 9.332 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.237 -7.134 8.311 1.00 0.00 H new ATOM 449 N ALA A 32 14.090 -2.547 7.535 1.00 0.00 N ATOM 450 CA ALA A 32 14.133 -1.380 8.462 1.00 0.00 C ATOM 451 C ALA A 32 12.901 -0.498 8.251 1.00 0.00 C ATOM 452 O ALA A 32 12.481 0.223 9.134 1.00 0.00 O ATOM 453 CB ALA A 32 15.407 -0.622 8.087 1.00 0.00 C ATOM 0 H ALA A 32 14.535 -2.398 6.629 1.00 0.00 H new ATOM 0 HA ALA A 32 14.134 -1.682 9.509 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.511 0.254 8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.271 -1.273 8.221 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.349 -0.306 7.045 1.00 0.00 H new ATOM 459 N ALA A 33 12.317 -0.553 7.085 1.00 0.00 N ATOM 460 CA ALA A 33 11.110 0.278 6.814 1.00 0.00 C ATOM 461 C ALA A 33 9.861 -0.412 7.366 1.00 0.00 C ATOM 462 O ALA A 33 8.750 0.004 7.113 1.00 0.00 O ATOM 463 CB ALA A 33 11.036 0.384 5.290 1.00 0.00 C ATOM 0 H ALA A 33 12.624 -1.138 6.308 1.00 0.00 H new ATOM 0 HA ALA A 33 11.167 1.258 7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.170 0.983 5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.943 0.858 4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.942 -0.613 4.860 1.00 0.00 H new ATOM 469 N ASN A 34 10.038 -1.463 8.120 1.00 0.00 N ATOM 470 CA ASN A 34 8.865 -2.186 8.695 1.00 0.00 C ATOM 471 C ASN A 34 7.944 -2.697 7.579 1.00 0.00 C ATOM 472 O ASN A 34 6.857 -2.188 7.361 1.00 0.00 O ATOM 473 CB ASN A 34 8.152 -1.154 9.571 1.00 0.00 C ATOM 474 CG ASN A 34 6.950 -1.802 10.266 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.106 -1.115 10.806 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.834 -3.104 10.282 1.00 0.00 N ATOM 0 H ASN A 34 10.948 -1.854 8.364 1.00 0.00 H new ATOM 0 HA ASN A 34 9.163 -3.064 9.269 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.842 -0.756 10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.821 -0.313 8.961 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.037 -3.539 10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.540 -3.685 9.830 1.00 0.00 H new ATOM 483 N ILE A 35 8.373 -3.710 6.876 1.00 0.00 N ATOM 484 CA ILE A 35 7.537 -4.276 5.780 1.00 0.00 C ATOM 485 C ILE A 35 7.219 -5.743 6.081 1.00 0.00 C ATOM 486 O ILE A 35 8.104 -6.563 6.221 1.00 0.00 O ATOM 487 CB ILE A 35 8.396 -4.160 4.522 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.462 -2.695 4.084 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.780 -5.000 3.402 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.765 -2.447 3.322 1.00 0.00 C ATOM 0 H ILE A 35 9.272 -4.172 7.015 1.00 0.00 H new ATOM 0 HA ILE A 35 6.587 -3.754 5.667 1.00 0.00 H new ATOM 0 HB ILE A 35 9.402 -4.522 4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.607 -2.455 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.408 -2.042 4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.394 -4.916 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.733 -6.043 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.774 -4.639 3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.811 -1.404 3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.613 -2.670 3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.800 -3.090 2.443 1.00 0.00 H new ATOM 502 N ARG A 36 5.964 -6.080 6.188 1.00 0.00 N ATOM 503 CA ARG A 36 5.597 -7.493 6.489 1.00 0.00 C ATOM 504 C ARG A 36 5.154 -8.216 5.216 1.00 0.00 C ATOM 505 O ARG A 36 4.600 -7.624 4.311 1.00 0.00 O ATOM 506 CB ARG A 36 4.435 -7.396 7.478 1.00 0.00 C ATOM 507 CG ARG A 36 4.894 -6.659 8.738 1.00 0.00 C ATOM 508 CD ARG A 36 4.406 -7.414 9.977 1.00 0.00 C ATOM 509 NE ARG A 36 3.011 -6.938 10.192 1.00 0.00 N ATOM 510 CZ ARG A 36 2.221 -7.576 11.012 1.00 0.00 C ATOM 511 NH1 ARG A 36 2.613 -8.691 11.568 1.00 0.00 N ATOM 512 NH2 ARG A 36 1.035 -7.100 11.277 1.00 0.00 N ATOM 0 H ARG A 36 5.177 -5.440 6.080 1.00 0.00 H new ATOM 0 HA ARG A 36 6.437 -8.057 6.894 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.598 -6.869 7.021 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.080 -8.394 7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.981 -6.581 8.751 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.502 -5.642 8.741 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.436 -8.492 9.820 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.034 -7.201 10.842 1.00 0.00 H new ATOM 0 HE ARG A 36 2.673 -6.112 9.698 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.539 -9.066 11.362 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.993 -9.187 12.208 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.726 -6.230 10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.417 -7.598 11.918 1.00 0.00 H new ATOM 526 N ARG A 37 5.390 -9.497 5.142 1.00 0.00 N ATOM 527 CA ARG A 37 4.978 -10.264 3.934 1.00 0.00 C ATOM 528 C ARG A 37 3.672 -11.011 4.214 1.00 0.00 C ATOM 529 O ARG A 37 3.374 -11.355 5.341 1.00 0.00 O ATOM 530 CB ARG A 37 6.119 -11.248 3.681 1.00 0.00 C ATOM 531 CG ARG A 37 7.101 -10.641 2.678 1.00 0.00 C ATOM 532 CD ARG A 37 7.375 -11.648 1.559 1.00 0.00 C ATOM 533 NE ARG A 37 7.781 -12.898 2.259 1.00 0.00 N ATOM 534 CZ ARG A 37 8.945 -13.434 2.013 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.162 -14.027 0.871 1.00 0.00 N ATOM 536 NH2 ARG A 37 9.892 -13.375 2.909 1.00 0.00 N ATOM 0 H ARG A 37 5.851 -10.046 5.867 1.00 0.00 H new ATOM 0 HA ARG A 37 4.801 -9.622 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.631 -11.476 4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.724 -12.188 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.690 -9.721 2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.032 -10.376 3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.488 -11.809 0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.162 -11.294 0.893 1.00 0.00 H new ATOM 0 HE ARG A 37 7.150 -13.335 2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.422 -14.071 0.171 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.072 -14.446 0.679 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.722 -12.910 3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.802 -13.794 2.717 1.00 0.00 H new ATOM 550 N ALA A 38 2.889 -11.262 3.203 1.00 0.00 N ATOM 551 CA ALA A 38 1.603 -11.982 3.422 1.00 0.00 C ATOM 552 C ALA A 38 1.528 -13.224 2.530 1.00 0.00 C ATOM 553 O ALA A 38 2.369 -13.444 1.681 1.00 0.00 O ATOM 554 CB ALA A 38 0.519 -10.976 3.038 1.00 0.00 C ATOM 0 H ALA A 38 3.083 -11.001 2.236 1.00 0.00 H new ATOM 0 HA ALA A 38 1.493 -12.328 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.463 -11.430 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.600 -10.094 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.645 -10.685 1.995 1.00 0.00 H new ATOM 560 N SER A 39 0.526 -14.040 2.719 1.00 0.00 N ATOM 561 CA SER A 39 0.396 -15.270 1.886 1.00 0.00 C ATOM 562 C SER A 39 0.503 -14.921 0.399 1.00 0.00 C ATOM 563 O SER A 39 0.908 -15.732 -0.410 1.00 0.00 O ATOM 564 CB SER A 39 -0.991 -15.822 2.208 1.00 0.00 C ATOM 565 OG SER A 39 -1.914 -15.377 1.223 1.00 0.00 O ATOM 0 H SER A 39 -0.208 -13.908 3.415 1.00 0.00 H new ATOM 0 HA SER A 39 1.183 -15.994 2.097 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.965 -16.911 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.307 -15.488 3.196 1.00 0.00 H new ATOM 0 HG SER A 39 -2.805 -15.731 1.426 1.00 0.00 H new ATOM 571 N SER A 40 0.142 -13.722 0.032 1.00 0.00 N ATOM 572 CA SER A 40 0.223 -13.327 -1.404 1.00 0.00 C ATOM 573 C SER A 40 -0.061 -11.831 -1.562 1.00 0.00 C ATOM 574 O SER A 40 -0.197 -11.108 -0.594 1.00 0.00 O ATOM 575 CB SER A 40 -0.857 -14.150 -2.104 1.00 0.00 C ATOM 576 OG SER A 40 -0.367 -15.463 -2.344 1.00 0.00 O ATOM 0 H SER A 40 -0.205 -12.999 0.663 1.00 0.00 H new ATOM 0 HA SER A 40 1.213 -13.508 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.755 -14.192 -1.488 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.138 -13.677 -3.045 1.00 0.00 H new ATOM 0 HG SER A 40 0.475 -15.592 -1.859 1.00 0.00 H new ATOM 582 N ASP A 41 -0.154 -11.362 -2.776 1.00 0.00 N ATOM 583 CA ASP A 41 -0.431 -9.915 -3.001 1.00 0.00 C ATOM 584 C ASP A 41 -1.708 -9.498 -2.266 1.00 0.00 C ATOM 585 O ASP A 41 -1.910 -8.339 -1.962 1.00 0.00 O ATOM 586 CB ASP A 41 -0.612 -9.778 -4.513 1.00 0.00 C ATOM 587 CG ASP A 41 0.731 -9.437 -5.160 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.313 -8.436 -4.775 1.00 0.00 O ATOM 589 OD2 ASP A 41 1.154 -10.181 -6.028 1.00 0.00 O ATOM 0 H ASP A 41 -0.050 -11.920 -3.624 1.00 0.00 H new ATOM 0 HA ASP A 41 0.371 -9.278 -2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.002 -10.707 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.342 -8.999 -4.733 1.00 0.00 H new ATOM 594 N ASN A 42 -2.571 -10.433 -1.979 1.00 0.00 N ATOM 595 CA ASN A 42 -3.833 -10.087 -1.265 1.00 0.00 C ATOM 596 C ASN A 42 -3.611 -10.128 0.251 1.00 0.00 C ATOM 597 O ASN A 42 -3.473 -11.184 0.837 1.00 0.00 O ATOM 598 CB ASN A 42 -4.836 -11.161 -1.688 1.00 0.00 C ATOM 599 CG ASN A 42 -6.141 -10.976 -0.911 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.122 -10.697 0.272 1.00 0.00 O ATOM 601 ND2 ASN A 42 -7.281 -11.121 -1.529 1.00 0.00 N ATOM 0 H ASN A 42 -2.458 -11.421 -2.207 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.183 -9.084 -1.509 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.026 -11.094 -2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.425 -12.152 -1.498 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.156 -11.000 -1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.297 -11.355 -2.522 1.00 0.00 H new ATOM 608 N HIS A 43 -3.575 -8.990 0.890 1.00 0.00 N ATOM 609 CA HIS A 43 -3.361 -8.972 2.366 1.00 0.00 C ATOM 610 C HIS A 43 -4.109 -7.800 3.003 1.00 0.00 C ATOM 611 O HIS A 43 -4.822 -7.071 2.342 1.00 0.00 O ATOM 612 CB HIS A 43 -1.852 -8.804 2.560 1.00 0.00 C ATOM 613 CG HIS A 43 -1.303 -7.809 1.569 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.219 -6.450 1.843 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.774 -7.970 0.314 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.651 -5.854 0.774 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.364 -6.738 -0.186 1.00 0.00 N ATOM 0 H HIS A 43 -3.684 -8.074 0.455 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.733 -9.882 2.836 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.645 -8.468 3.576 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.353 -9.765 2.434 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.688 -8.912 -0.208 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.453 -4.795 0.703 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.064 -6.550 -1.092 1.00 0.00 H new ATOM 625 N SER A 44 -3.945 -7.614 4.284 1.00 0.00 N ATOM 626 CA SER A 44 -4.639 -6.488 4.968 1.00 0.00 C ATOM 627 C SER A 44 -3.707 -5.280 5.052 1.00 0.00 C ATOM 628 O SER A 44 -2.504 -5.419 5.147 1.00 0.00 O ATOM 629 CB SER A 44 -4.966 -7.009 6.367 1.00 0.00 C ATOM 630 OG SER A 44 -6.360 -6.870 6.605 1.00 0.00 O ATOM 0 H SER A 44 -3.360 -8.194 4.886 1.00 0.00 H new ATOM 0 HA SER A 44 -5.536 -6.169 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.673 -8.055 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.400 -6.454 7.116 1.00 0.00 H new ATOM 0 HG SER A 44 -6.826 -7.677 6.300 1.00 0.00 H new ATOM 636 N CYS A 45 -4.249 -4.096 5.019 1.00 0.00 N ATOM 637 CA CYS A 45 -3.384 -2.887 5.099 1.00 0.00 C ATOM 638 C CYS A 45 -4.034 -1.823 5.981 1.00 0.00 C ATOM 639 O CYS A 45 -5.080 -2.037 6.574 1.00 0.00 O ATOM 640 CB CYS A 45 -3.261 -2.387 3.664 1.00 0.00 C ATOM 641 SG CYS A 45 -4.909 -2.216 2.940 1.00 0.00 S ATOM 0 H CYS A 45 -5.249 -3.913 4.940 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.411 -3.110 5.538 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.743 -1.428 3.645 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.664 -3.083 3.075 1.00 0.00 H new ATOM 646 N ALA A 46 -3.419 -0.678 6.075 1.00 0.00 N ATOM 647 CA ALA A 46 -3.989 0.402 6.927 1.00 0.00 C ATOM 648 C ALA A 46 -4.410 -0.193 8.269 1.00 0.00 C ATOM 649 O ALA A 46 -5.471 0.094 8.785 1.00 0.00 O ATOM 650 CB ALA A 46 -5.206 0.918 6.158 1.00 0.00 C ATOM 0 H ALA A 46 -2.548 -0.443 5.600 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.279 1.204 7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.681 1.719 6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.888 1.299 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.917 0.104 6.014 1.00 0.00 H new ATOM 656 N GLY A 47 -3.587 -1.039 8.829 1.00 0.00 N ATOM 657 CA GLY A 47 -3.942 -1.674 10.127 1.00 0.00 C ATOM 658 C GLY A 47 -5.065 -2.681 9.883 1.00 0.00 C ATOM 659 O GLY A 47 -5.258 -3.150 8.779 1.00 0.00 O ATOM 0 H GLY A 47 -2.685 -1.316 8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.072 -2.173 10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.261 -0.918 10.844 1.00 0.00 H new ATOM 663 N ASN A 48 -5.815 -3.013 10.894 1.00 0.00 N ATOM 664 CA ASN A 48 -6.927 -3.979 10.704 1.00 0.00 C ATOM 665 C ASN A 48 -8.170 -3.239 10.201 1.00 0.00 C ATOM 666 O ASN A 48 -9.266 -3.453 10.679 1.00 0.00 O ATOM 667 CB ASN A 48 -7.177 -4.573 12.090 1.00 0.00 C ATOM 668 CG ASN A 48 -6.607 -5.991 12.149 1.00 0.00 C ATOM 669 OD1 ASN A 48 -7.337 -6.957 12.044 1.00 0.00 O ATOM 670 ND2 ASN A 48 -5.324 -6.159 12.313 1.00 0.00 N ATOM 0 H ASN A 48 -5.705 -2.657 11.843 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.692 -4.751 9.972 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.711 -3.950 12.853 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.246 -4.590 12.302 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.934 -7.101 12.353 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.711 -5.349 12.401 1.00 0.00 H new ATOM 677 N ARG A 49 -8.004 -2.356 9.252 1.00 0.00 N ATOM 678 CA ARG A 49 -9.168 -1.590 8.737 1.00 0.00 C ATOM 679 C ARG A 49 -9.417 -1.884 7.255 1.00 0.00 C ATOM 680 O ARG A 49 -10.544 -1.890 6.801 1.00 0.00 O ATOM 681 CB ARG A 49 -8.774 -0.127 8.928 1.00 0.00 C ATOM 682 CG ARG A 49 -8.990 0.275 10.387 1.00 0.00 C ATOM 683 CD ARG A 49 -9.907 1.499 10.449 1.00 0.00 C ATOM 684 NE ARG A 49 -9.717 2.050 11.819 1.00 0.00 N ATOM 685 CZ ARG A 49 -10.071 3.277 12.084 1.00 0.00 C ATOM 686 NH1 ARG A 49 -11.019 3.846 11.391 1.00 0.00 N ATOM 687 NH2 ARG A 49 -9.478 3.936 13.041 1.00 0.00 N ATOM 0 H ARG A 49 -7.110 -2.135 8.813 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.089 -1.852 9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.730 0.018 8.651 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.369 0.509 8.273 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.432 -0.553 10.942 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.033 0.500 10.859 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.640 2.232 9.688 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.947 1.223 10.275 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.310 1.468 12.551 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.483 3.331 10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.296 4.806 11.598 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.737 3.492 13.583 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.756 4.896 13.247 1.00 0.00 H new ATOM 701 N GLY A 50 -8.385 -2.110 6.488 1.00 0.00 N ATOM 702 CA GLY A 50 -8.601 -2.380 5.037 1.00 0.00 C ATOM 703 C GLY A 50 -8.104 -3.782 4.670 1.00 0.00 C ATOM 704 O GLY A 50 -7.379 -4.413 5.413 1.00 0.00 O ATOM 0 H GLY A 50 -7.413 -2.120 6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.661 -2.290 4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.076 -1.634 4.441 1.00 0.00 H new ATOM 708 N TRP A 51 -8.493 -4.265 3.519 1.00 0.00 N ATOM 709 CA TRP A 51 -8.057 -5.620 3.073 1.00 0.00 C ATOM 710 C TRP A 51 -7.750 -5.575 1.574 1.00 0.00 C ATOM 711 O TRP A 51 -8.017 -4.590 0.919 1.00 0.00 O ATOM 712 CB TRP A 51 -9.255 -6.528 3.350 1.00 0.00 C ATOM 713 CG TRP A 51 -9.027 -7.303 4.608 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.870 -7.327 5.667 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.908 -8.169 4.957 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.339 -8.151 6.642 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.131 -8.693 6.252 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.733 -8.545 4.282 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.221 -9.561 6.856 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.815 -9.418 4.888 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.058 -9.925 6.172 1.00 0.00 C ATOM 0 H TRP A 51 -9.100 -3.773 2.863 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.161 -5.972 3.584 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.162 -5.930 3.440 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.405 -7.211 2.514 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.804 -6.790 5.739 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.786 -8.336 7.540 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.536 -8.160 3.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.414 -9.949 7.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.916 -9.701 4.361 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.348 -10.596 6.632 1.00 0.00 H new ATOM 732 N CYS A 52 -7.189 -6.614 1.016 1.00 0.00 N ATOM 733 CA CYS A 52 -6.878 -6.576 -0.443 1.00 0.00 C ATOM 734 C CYS A 52 -7.718 -7.590 -1.224 1.00 0.00 C ATOM 735 O CYS A 52 -7.689 -8.776 -0.964 1.00 0.00 O ATOM 736 CB CYS A 52 -5.397 -6.928 -0.546 1.00 0.00 C ATOM 737 SG CYS A 52 -4.717 -6.242 -2.077 1.00 0.00 S ATOM 0 H CYS A 52 -6.935 -7.476 1.499 1.00 0.00 H new ATOM 0 HA CYS A 52 -7.105 -5.599 -0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.857 -6.531 0.314 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.268 -8.010 -0.531 1.00 0.00 H new ATOM 742 N ARG A 53 -8.448 -7.121 -2.198 1.00 0.00 N ATOM 743 CA ARG A 53 -9.280 -8.032 -3.034 1.00 0.00 C ATOM 744 C ARG A 53 -9.101 -7.655 -4.506 1.00 0.00 C ATOM 745 O ARG A 53 -8.751 -6.535 -4.823 1.00 0.00 O ATOM 746 CB ARG A 53 -10.727 -7.784 -2.600 1.00 0.00 C ATOM 747 CG ARG A 53 -10.837 -7.850 -1.078 1.00 0.00 C ATOM 748 CD ARG A 53 -11.200 -6.465 -0.542 1.00 0.00 C ATOM 749 NE ARG A 53 -10.859 -6.510 0.905 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.609 -7.186 1.732 1.00 0.00 C ATOM 751 NH1 ARG A 53 -12.748 -6.690 2.133 1.00 0.00 N ATOM 752 NH2 ARG A 53 -11.222 -8.358 2.157 1.00 0.00 N ATOM 0 H ARG A 53 -8.504 -6.135 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.003 -9.079 -2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.059 -6.808 -2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.383 -8.528 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.596 -8.576 -0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.893 -8.185 -0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.639 -5.684 -1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.258 -6.249 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.039 -6.012 1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.051 -5.775 1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.335 -7.218 2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.333 -8.746 1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.809 -8.885 2.803 1.00 0.00 H new ATOM 766 N SER A 54 -9.343 -8.561 -5.411 1.00 0.00 N ATOM 767 CA SER A 54 -9.186 -8.213 -6.849 1.00 0.00 C ATOM 768 C SER A 54 -9.867 -6.871 -7.114 1.00 0.00 C ATOM 769 O SER A 54 -9.361 -6.026 -7.825 1.00 0.00 O ATOM 770 CB SER A 54 -9.886 -9.338 -7.608 1.00 0.00 C ATOM 771 OG SER A 54 -11.254 -9.383 -7.223 1.00 0.00 O ATOM 0 H SER A 54 -9.640 -9.518 -5.220 1.00 0.00 H new ATOM 0 HA SER A 54 -8.144 -8.118 -7.155 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.804 -9.174 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.404 -10.292 -7.394 1.00 0.00 H new ATOM 0 HG SER A 54 -11.707 -10.103 -7.709 1.00 0.00 H new ATOM 777 N LYS A 55 -11.016 -6.680 -6.534 1.00 0.00 N ATOM 778 CA LYS A 55 -11.762 -5.411 -6.716 1.00 0.00 C ATOM 779 C LYS A 55 -12.441 -5.043 -5.385 1.00 0.00 C ATOM 780 O LYS A 55 -12.349 -5.770 -4.416 1.00 0.00 O ATOM 781 CB LYS A 55 -12.776 -5.746 -7.820 1.00 0.00 C ATOM 782 CG LYS A 55 -14.172 -5.222 -7.468 1.00 0.00 C ATOM 783 CD LYS A 55 -15.186 -5.758 -8.481 1.00 0.00 C ATOM 784 CE LYS A 55 -16.457 -4.906 -8.436 1.00 0.00 C ATOM 785 NZ LYS A 55 -16.446 -4.132 -9.709 1.00 0.00 N ATOM 0 H LYS A 55 -11.476 -7.363 -5.932 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.148 -4.554 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.448 -5.309 -8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.816 -6.826 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.447 -5.535 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.176 -4.132 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.759 -5.739 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.425 -6.798 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.348 -5.529 -8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.458 -4.243 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.288 -3.523 -9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.590 -3.543 -9.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.453 -4.789 -10.515 1.00 0.00 H new ATOM 799 N CYS A 56 -13.124 -3.932 -5.327 1.00 0.00 N ATOM 800 CA CYS A 56 -13.799 -3.550 -4.050 1.00 0.00 C ATOM 801 C CYS A 56 -15.303 -3.375 -4.280 1.00 0.00 C ATOM 802 O CYS A 56 -15.763 -3.290 -5.401 1.00 0.00 O ATOM 803 CB CYS A 56 -13.160 -2.224 -3.628 1.00 0.00 C ATOM 804 SG CYS A 56 -11.363 -2.327 -3.809 1.00 0.00 S ATOM 0 H CYS A 56 -13.244 -3.277 -6.099 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.680 -4.314 -3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.551 -1.410 -4.239 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.418 -1.998 -2.594 1.00 0.00 H new ATOM 809 N PHE A 57 -16.073 -3.324 -3.227 1.00 0.00 N ATOM 810 CA PHE A 57 -17.545 -3.158 -3.389 1.00 0.00 C ATOM 811 C PHE A 57 -17.887 -1.689 -3.652 1.00 0.00 C ATOM 812 O PHE A 57 -17.030 -0.828 -3.630 1.00 0.00 O ATOM 813 CB PHE A 57 -18.140 -3.620 -2.060 1.00 0.00 C ATOM 814 CG PHE A 57 -17.522 -4.938 -1.660 1.00 0.00 C ATOM 815 CD1 PHE A 57 -17.340 -5.945 -2.615 1.00 0.00 C ATOM 816 CD2 PHE A 57 -17.133 -5.154 -0.332 1.00 0.00 C ATOM 817 CE1 PHE A 57 -16.768 -7.168 -2.243 1.00 0.00 C ATOM 818 CE2 PHE A 57 -16.562 -6.377 0.040 1.00 0.00 C ATOM 819 CZ PHE A 57 -16.379 -7.384 -0.916 1.00 0.00 C ATOM 0 H PHE A 57 -15.747 -3.390 -2.263 1.00 0.00 H new ATOM 0 HA PHE A 57 -17.937 -3.728 -4.232 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.957 -2.872 -1.288 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -19.221 -3.726 -2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.641 -5.779 -3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.273 -4.377 0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.627 -7.945 -2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.263 -6.544 1.064 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.938 -8.327 -0.629 1.00 0.00 H new ATOM 829 N ARG A 58 -19.133 -1.399 -3.908 1.00 0.00 N ATOM 830 CA ARG A 58 -19.531 0.009 -4.179 1.00 0.00 C ATOM 831 C ARG A 58 -19.519 0.830 -2.890 1.00 0.00 C ATOM 832 O ARG A 58 -19.111 1.975 -2.877 1.00 0.00 O ATOM 833 CB ARG A 58 -20.947 -0.085 -4.745 1.00 0.00 C ATOM 834 CG ARG A 58 -21.167 1.036 -5.762 1.00 0.00 C ATOM 835 CD ARG A 58 -22.553 0.889 -6.393 1.00 0.00 C ATOM 836 NE ARG A 58 -22.654 2.015 -7.362 1.00 0.00 N ATOM 837 CZ ARG A 58 -23.824 2.499 -7.678 1.00 0.00 C ATOM 838 NH1 ARG A 58 -24.862 1.711 -7.736 1.00 0.00 N ATOM 839 NH2 ARG A 58 -23.955 3.772 -7.936 1.00 0.00 N ATOM 0 H ARG A 58 -19.893 -2.078 -3.941 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.846 0.504 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.096 -1.055 -5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.678 -0.008 -3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -21.079 2.007 -5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -20.398 0.997 -6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -22.659 -0.074 -6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -23.338 0.945 -5.639 1.00 0.00 H new ATOM 0 HE ARG A 58 -21.810 2.408 -7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -24.759 0.716 -7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -25.776 2.089 -7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -23.143 4.388 -7.891 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -24.869 4.151 -8.183 1.00 0.00 H new ATOM 853 N HIS A 59 -19.959 0.259 -1.804 1.00 0.00 N ATOM 854 CA HIS A 59 -19.966 1.015 -0.520 1.00 0.00 C ATOM 855 C HIS A 59 -18.534 1.211 -0.016 1.00 0.00 C ATOM 856 O HIS A 59 -18.303 1.843 0.995 1.00 0.00 O ATOM 857 CB HIS A 59 -20.762 0.144 0.452 1.00 0.00 C ATOM 858 CG HIS A 59 -21.802 0.986 1.140 1.00 0.00 C ATOM 859 ND1 HIS A 59 -22.188 0.759 2.452 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.543 2.058 0.710 1.00 0.00 C ATOM 861 CE1 HIS A 59 -23.123 1.676 2.762 1.00 0.00 C ATOM 862 NE2 HIS A 59 -23.377 2.492 1.736 1.00 0.00 N ATOM 0 H HIS A 59 -20.313 -0.696 -1.749 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.405 2.007 -0.628 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.239 -0.676 -0.084 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.094 -0.302 1.189 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.487 2.498 -0.275 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -23.609 1.744 3.724 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.040 3.267 1.710 1.00 0.00 H new ATOM 870 N GLU A 60 -17.569 0.670 -0.711 1.00 0.00 N ATOM 871 CA GLU A 60 -16.157 0.825 -0.268 1.00 0.00 C ATOM 872 C GLU A 60 -15.314 1.436 -1.391 1.00 0.00 C ATOM 873 O GLU A 60 -15.822 1.807 -2.430 1.00 0.00 O ATOM 874 CB GLU A 60 -15.690 -0.596 0.038 1.00 0.00 C ATOM 875 CG GLU A 60 -16.020 -0.941 1.491 1.00 0.00 C ATOM 876 CD GLU A 60 -14.977 -1.920 2.034 1.00 0.00 C ATOM 877 OE1 GLU A 60 -13.801 -1.685 1.812 1.00 0.00 O ATOM 878 OE2 GLU A 60 -15.373 -2.888 2.662 1.00 0.00 O ATOM 0 H GLU A 60 -17.699 0.128 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.061 1.485 0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.177 -1.303 -0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.617 -0.682 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.034 -0.035 2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.015 -1.382 1.554 1.00 0.00 H new ATOM 885 N TYR A 61 -14.028 1.536 -1.192 1.00 0.00 N ATOM 886 CA TYR A 61 -13.154 2.115 -2.252 1.00 0.00 C ATOM 887 C TYR A 61 -11.784 1.441 -2.232 1.00 0.00 C ATOM 888 O TYR A 61 -11.619 0.357 -1.710 1.00 0.00 O ATOM 889 CB TYR A 61 -13.020 3.602 -1.909 1.00 0.00 C ATOM 890 CG TYR A 61 -12.109 3.775 -0.714 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.500 3.287 0.538 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.875 4.425 -0.857 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.661 3.448 1.647 1.00 0.00 C ATOM 894 CE2 TYR A 61 -10.036 4.585 0.253 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.429 4.096 1.504 1.00 0.00 C ATOM 896 OH TYR A 61 -9.602 4.254 2.598 1.00 0.00 O ATOM 0 H TYR A 61 -13.545 1.242 -0.343 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.572 1.967 -3.248 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.620 4.147 -2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -14.001 4.024 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.450 2.786 0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.572 4.802 -1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.965 3.072 2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.085 5.086 0.143 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.786 4.723 2.326 1.00 0.00 H new ATOM 906 N VAL A 62 -10.803 2.084 -2.793 1.00 0.00 N ATOM 907 CA VAL A 62 -9.433 1.497 -2.812 1.00 0.00 C ATOM 908 C VAL A 62 -8.442 2.490 -2.209 1.00 0.00 C ATOM 909 O VAL A 62 -8.083 3.464 -2.835 1.00 0.00 O ATOM 910 CB VAL A 62 -9.120 1.268 -4.291 1.00 0.00 C ATOM 911 CG1 VAL A 62 -7.631 0.952 -4.459 1.00 0.00 C ATOM 912 CG2 VAL A 62 -9.951 0.096 -4.815 1.00 0.00 C ATOM 0 H VAL A 62 -10.889 2.996 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.366 0.575 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.365 2.168 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.410 0.789 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.038 1.788 -4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.384 0.053 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.727 -0.066 -5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.708 -0.804 -4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.011 0.321 -4.700 1.00 0.00 H new ATOM 922 N ASP A 63 -7.997 2.258 -1.001 1.00 0.00 N ATOM 923 CA ASP A 63 -7.029 3.204 -0.378 1.00 0.00 C ATOM 924 C ASP A 63 -5.855 3.441 -1.329 1.00 0.00 C ATOM 925 O ASP A 63 -4.861 2.745 -1.294 1.00 0.00 O ATOM 926 CB ASP A 63 -6.561 2.520 0.908 1.00 0.00 C ATOM 927 CG ASP A 63 -6.195 1.065 0.618 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.824 0.779 -0.509 1.00 0.00 O ATOM 929 OD2 ASP A 63 -6.292 0.260 1.530 1.00 0.00 O ATOM 0 H ASP A 63 -8.261 1.460 -0.424 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.474 4.177 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.699 3.047 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.348 2.563 1.661 1.00 0.00 H new ATOM 934 N THR A 64 -5.971 4.416 -2.186 1.00 0.00 N ATOM 935 CA THR A 64 -4.873 4.700 -3.155 1.00 0.00 C ATOM 936 C THR A 64 -3.511 4.651 -2.459 1.00 0.00 C ATOM 937 O THR A 64 -2.494 4.415 -3.081 1.00 0.00 O ATOM 938 CB THR A 64 -5.158 6.111 -3.666 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.876 6.836 -2.677 1.00 0.00 O ATOM 940 CG2 THR A 64 -5.986 6.037 -4.949 1.00 0.00 C ATOM 0 H THR A 64 -6.781 5.031 -2.258 1.00 0.00 H new ATOM 0 HA THR A 64 -4.839 3.966 -3.960 1.00 0.00 H new ATOM 0 HB THR A 64 -4.216 6.617 -3.876 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.058 7.742 -3.003 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.187 7.045 -5.311 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.433 5.483 -5.708 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.929 5.530 -4.745 1.00 0.00 H new ATOM 948 N TYR A 65 -3.479 4.882 -1.178 1.00 0.00 N ATOM 949 CA TYR A 65 -2.180 4.860 -0.448 1.00 0.00 C ATOM 950 C TYR A 65 -1.653 3.429 -0.304 1.00 0.00 C ATOM 951 O TYR A 65 -0.498 3.155 -0.566 1.00 0.00 O ATOM 952 CB TYR A 65 -2.492 5.446 0.928 1.00 0.00 C ATOM 953 CG TYR A 65 -1.219 5.962 1.553 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.204 5.068 1.913 1.00 0.00 C ATOM 955 CD2 TYR A 65 -1.051 7.335 1.771 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.978 5.545 2.491 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.131 7.813 2.348 1.00 0.00 C ATOM 958 CZ TYR A 65 1.146 6.918 2.708 1.00 0.00 C ATOM 959 OH TYR A 65 2.312 7.389 3.277 1.00 0.00 O ATOM 0 H TYR A 65 -4.296 5.085 -0.603 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.412 5.423 -0.978 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.218 6.254 0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.941 4.685 1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.333 4.009 1.745 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.834 8.025 1.494 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.760 4.854 2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.260 8.872 2.516 1.00 0.00 H new ATOM 0 HH TYR A 65 2.266 8.365 3.356 1.00 0.00 H new ATOM 969 N TYR A 66 -2.481 2.520 0.129 1.00 0.00 N ATOM 970 CA TYR A 66 -2.012 1.115 0.310 1.00 0.00 C ATOM 971 C TYR A 66 -2.195 0.295 -0.971 1.00 0.00 C ATOM 972 O TYR A 66 -1.774 -0.844 -1.050 1.00 0.00 O ATOM 973 CB TYR A 66 -2.868 0.563 1.446 1.00 0.00 C ATOM 974 CG TYR A 66 -2.353 1.111 2.755 1.00 0.00 C ATOM 975 CD1 TYR A 66 -2.838 2.329 3.242 1.00 0.00 C ATOM 976 CD2 TYR A 66 -1.385 0.404 3.476 1.00 0.00 C ATOM 977 CE1 TYR A 66 -2.355 2.840 4.452 1.00 0.00 C ATOM 978 CE2 TYR A 66 -0.901 0.915 4.685 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.386 2.133 5.174 1.00 0.00 C ATOM 980 OH TYR A 66 -0.909 2.638 6.367 1.00 0.00 O ATOM 0 H TYR A 66 -3.459 2.687 0.365 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.947 1.067 0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.911 0.845 1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.830 -0.526 1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.585 2.875 2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.011 -0.537 3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.730 3.780 4.829 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.153 0.369 5.241 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.243 2.023 6.739 1.00 0.00 H new ATOM 990 N SER A 67 -2.795 0.859 -1.984 1.00 0.00 N ATOM 991 CA SER A 67 -2.964 0.093 -3.251 1.00 0.00 C ATOM 992 C SER A 67 -1.608 -0.481 -3.661 1.00 0.00 C ATOM 993 O SER A 67 -1.516 -1.455 -4.384 1.00 0.00 O ATOM 994 CB SER A 67 -3.445 1.118 -4.277 1.00 0.00 C ATOM 995 OG SER A 67 -3.260 0.595 -5.586 1.00 0.00 O ATOM 0 H SER A 67 -3.172 1.807 -1.990 1.00 0.00 H new ATOM 0 HA SER A 67 -3.666 -0.736 -3.159 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.497 1.350 -4.111 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.892 2.050 -4.164 1.00 0.00 H new ATOM 0 HG SER A 67 -3.569 1.250 -6.247 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.551 0.126 -3.192 1.00 0.00 N ATOM 1002 CA ALA A 68 0.814 -0.359 -3.533 1.00 0.00 C ATOM 1003 C ALA A 68 1.114 -1.675 -2.807 1.00 0.00 C ATOM 1004 O ALA A 68 1.270 -2.708 -3.427 1.00 0.00 O ATOM 1005 CB ALA A 68 1.752 0.749 -3.051 1.00 0.00 C ATOM 0 H ALA A 68 -0.577 0.943 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 68 0.927 -0.560 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.784 0.471 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.512 1.679 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.629 0.888 -1.977 1.00 0.00 H new ATOM 1011 N VAL A 69 1.206 -1.650 -1.500 1.00 0.00 N ATOM 1012 CA VAL A 69 1.507 -2.911 -0.759 1.00 0.00 C ATOM 1013 C VAL A 69 0.666 -4.053 -1.325 1.00 0.00 C ATOM 1014 O VAL A 69 1.079 -5.195 -1.333 1.00 0.00 O ATOM 1015 CB VAL A 69 1.153 -2.631 0.709 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.333 -2.330 0.852 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.495 -3.846 1.566 1.00 0.00 C ATOM 0 H VAL A 69 1.087 -0.819 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 69 2.552 -3.207 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 69 1.729 -1.767 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.565 -2.134 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.586 -1.454 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.913 -3.186 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.241 -3.641 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.927 -4.709 1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.561 -4.058 1.488 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.504 -3.750 -1.816 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.368 -4.817 -2.398 1.00 0.00 C ATOM 1029 C CYS A 70 -0.711 -5.401 -3.651 1.00 0.00 C ATOM 1030 O CYS A 70 -0.366 -6.565 -3.699 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.674 -4.115 -2.764 1.00 0.00 C ATOM 1032 SG CYS A 70 -3.923 -4.475 -1.508 1.00 0.00 S ATOM 0 H CYS A 70 -0.900 -2.810 -1.840 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.528 -5.642 -1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.514 -3.039 -2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.019 -4.451 -3.742 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.540 -4.601 -4.668 1.00 0.00 N ATOM 1038 CA GLY A 71 0.091 -5.111 -5.919 1.00 0.00 C ATOM 1039 C GLY A 71 -0.990 -5.348 -6.974 1.00 0.00 C ATOM 1040 O GLY A 71 -1.841 -4.511 -7.203 1.00 0.00 O ATOM 0 H GLY A 71 -0.810 -3.617 -4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.824 -4.393 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.627 -6.038 -5.717 1.00 0.00 H new ATOM 1044 N ARG A 72 -0.966 -6.482 -7.619 1.00 0.00 N ATOM 1045 CA ARG A 72 -1.996 -6.770 -8.659 1.00 0.00 C ATOM 1046 C ARG A 72 -3.398 -6.542 -8.087 1.00 0.00 C ATOM 1047 O ARG A 72 -4.298 -6.107 -8.779 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.796 -8.243 -9.019 1.00 0.00 C ATOM 1049 CG ARG A 72 -0.909 -8.348 -10.262 1.00 0.00 C ATOM 1050 CD ARG A 72 0.521 -7.935 -9.907 1.00 0.00 C ATOM 1051 NE ARG A 72 1.380 -8.621 -10.911 1.00 0.00 N ATOM 1052 CZ ARG A 72 1.560 -8.089 -12.089 1.00 0.00 C ATOM 1053 NH1 ARG A 72 0.810 -7.095 -12.479 1.00 0.00 N ATOM 1054 NH2 ARG A 72 2.492 -8.550 -12.878 1.00 0.00 N ATOM 0 H ARG A 72 -0.279 -7.221 -7.472 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.898 -6.122 -9.530 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.336 -8.773 -8.185 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.760 -8.717 -9.206 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.920 -9.369 -10.644 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.298 -7.708 -11.054 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.643 -6.853 -9.956 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.779 -8.239 -8.893 1.00 0.00 H new ATOM 0 HE ARG A 72 1.828 -9.507 -10.678 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.082 -6.733 -11.863 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.952 -6.680 -13.400 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.080 -9.326 -12.574 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.633 -8.134 -13.799 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.589 -6.831 -6.829 1.00 0.00 N ATOM 1069 CA TYR A 73 -4.932 -6.630 -6.212 1.00 0.00 C ATOM 1070 C TYR A 73 -5.085 -5.185 -5.732 1.00 0.00 C ATOM 1071 O TYR A 73 -4.232 -4.350 -5.957 1.00 0.00 O ATOM 1072 CB TYR A 73 -4.970 -7.586 -5.020 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.254 -8.989 -5.499 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -4.374 -9.617 -6.388 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -6.395 -9.663 -5.049 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -4.636 -10.920 -6.828 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -6.657 -10.966 -5.488 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.777 -11.595 -6.378 1.00 0.00 C ATOM 1079 OH TYR A 73 -6.035 -12.879 -6.811 1.00 0.00 O ATOM 0 H TYR A 73 -2.874 -7.198 -6.201 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.739 -6.821 -6.919 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.018 -7.559 -4.490 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.738 -7.271 -4.313 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.493 -9.097 -6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.073 -9.178 -4.363 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.958 -11.405 -7.515 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.537 -11.486 -5.141 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.865 -13.201 -6.402 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.164 -4.889 -5.062 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.375 -3.504 -4.554 1.00 0.00 C ATOM 1091 C PHE A 74 -6.764 -3.546 -3.079 1.00 0.00 C ATOM 1092 O PHE A 74 -7.683 -4.240 -2.695 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.537 -2.942 -5.371 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.139 -2.825 -6.818 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -6.008 -2.084 -7.178 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -7.909 -3.452 -7.802 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -5.647 -1.973 -8.524 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -7.550 -3.341 -9.148 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.418 -2.601 -9.511 1.00 0.00 C ATOM 0 H PHE A 74 -6.911 -5.548 -4.844 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.474 -2.897 -4.648 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.407 -3.592 -5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.825 -1.965 -4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.415 -1.599 -6.417 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.782 -4.023 -7.522 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.773 -1.403 -8.803 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.145 -3.826 -9.908 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.139 -2.514 -10.551 1.00 0.00 H new ATOM 1109 N CYS A 75 -6.096 -2.801 -2.248 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.472 -2.809 -0.810 1.00 0.00 C ATOM 1111 C CYS A 75 -7.700 -1.925 -0.618 1.00 0.00 C ATOM 1112 O CYS A 75 -7.607 -0.717 -0.562 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.266 -2.243 -0.063 1.00 0.00 C ATOM 1114 SG CYS A 75 -4.828 -3.366 1.286 1.00 0.00 S ATOM 0 H CYS A 75 -5.315 -2.194 -2.497 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.719 -3.805 -0.443 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.423 -2.125 -0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -5.498 -1.254 0.331 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.858 -2.517 -0.540 1.00 0.00 N ATOM 1120 CA CYS A 76 -10.091 -1.702 -0.377 1.00 0.00 C ATOM 1121 C CYS A 76 -10.244 -1.278 1.081 1.00 0.00 C ATOM 1122 O CYS A 76 -9.649 -1.850 1.973 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.246 -2.614 -0.803 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.790 -3.533 -2.297 1.00 0.00 S ATOM 0 H CYS A 76 -9.003 -3.526 -0.582 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.065 -0.791 -0.975 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.488 -3.308 0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.140 -2.019 -0.990 1.00 0.00 H new ATOM 1129 N ARG A 77 -11.030 -0.273 1.329 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.216 0.197 2.729 1.00 0.00 C ATOM 1131 C ARG A 77 -12.602 0.817 2.896 1.00 0.00 C ATOM 1132 O ARG A 77 -13.320 1.028 1.938 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.128 1.252 2.936 1.00 0.00 C ATOM 1134 CG ARG A 77 -9.041 0.696 3.857 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.446 1.838 4.684 1.00 0.00 C ATOM 1136 NE ARG A 77 -9.565 2.307 5.549 1.00 0.00 N ATOM 1137 CZ ARG A 77 -9.325 3.090 6.567 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -8.098 3.433 6.856 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -10.313 3.529 7.297 1.00 0.00 N ATOM 0 H ARG A 77 -11.553 0.245 0.623 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.142 -0.614 3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.695 1.536 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.560 2.154 3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.460 -0.065 4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.261 0.213 3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.601 1.495 5.282 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.078 2.640 4.044 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.521 2.016 5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.325 3.089 6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.913 4.044 7.651 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.271 3.261 7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.127 4.140 8.092 1.00 0.00 H new ATOM 1153 N SER A 78 -12.984 1.111 4.107 1.00 0.00 N ATOM 1154 CA SER A 78 -14.326 1.718 4.334 1.00 0.00 C ATOM 1155 C SER A 78 -14.192 3.218 4.607 1.00 0.00 C ATOM 1156 O SER A 78 -13.592 3.632 5.579 1.00 0.00 O ATOM 1157 CB SER A 78 -14.887 0.997 5.559 1.00 0.00 C ATOM 1158 OG SER A 78 -14.720 1.820 6.706 1.00 0.00 O ATOM 0 H SER A 78 -12.427 0.958 4.948 1.00 0.00 H new ATOM 0 HA SER A 78 -14.977 1.612 3.466 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.943 0.771 5.410 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.374 0.046 5.702 1.00 0.00 H new ATOM 0 HG SER A 78 -13.917 2.371 6.599 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.747 4.034 3.753 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.655 5.508 3.959 1.00 0.00 C ATOM 1166 C ARG A 79 -15.680 5.960 5.002 1.00 0.00 C ATOM 1167 O ARG A 79 -16.813 5.516 4.921 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.976 6.116 2.593 1.00 0.00 C ATOM 1169 CG ARG A 79 -14.556 7.586 2.576 1.00 0.00 C ATOM 1170 CD ARG A 79 -15.269 8.307 1.431 1.00 0.00 C ATOM 1171 NE ARG A 79 -14.176 8.822 0.561 1.00 0.00 N ATOM 1172 CZ ARG A 79 -14.361 9.901 -0.149 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -15.299 9.933 -1.055 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -13.606 10.948 0.046 1.00 0.00 N ATOM 1175 OXT ARG A 79 -15.313 6.742 5.864 1.00 0.00 O ATOM 0 H ARG A 79 -15.261 3.744 2.921 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.675 5.816 4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.454 5.569 1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.043 6.029 2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.804 8.057 3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.476 7.665 2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -15.923 7.628 0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -15.893 9.119 1.804 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.283 8.331 0.520 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -15.888 9.114 -1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -15.443 10.777 -1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.872 10.923 0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.751 11.791 -0.509 1.00 0.00 H new