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= -0.448 USER MOD Single : A 12 THR OG1 : rot 13:sc= -1.75! 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 75:sc= 1.26 USER MOD Single : A 34 ASN : amide:sc= -2.6! C(o=-2.6!,f=-5.3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 62:sc= 1.23 USER MOD Single : A 42 ASN : amide:sc= -4.17! K(o=-4.2!,f=-0.78) USER MOD Single : A 43 HIS : no HD1:sc= -19.7! C(o=-20!,f=-17!) USER MOD Single : A 44 SER OG : rot -74:sc= -0.237! 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 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc=-0.00801 X(o=-0.008,f=0) USER MOD Single : A 61 TYR OH : rot 173:sc= -0.579 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 56:sc= 0.0726 USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 5 7.848 4.124 -2.044 1.00 0.00 N ATOM 70 CA PRO A 5 6.691 4.841 -1.478 1.00 0.00 C ATOM 71 C PRO A 5 6.663 4.673 0.041 1.00 0.00 C ATOM 72 O PRO A 5 7.302 3.800 0.594 1.00 0.00 O ATOM 73 CB PRO A 5 5.492 4.156 -2.118 1.00 0.00 C ATOM 74 CG PRO A 5 5.967 2.783 -2.480 1.00 0.00 C ATOM 75 CD PRO A 5 7.466 2.847 -2.656 1.00 0.00 C ATOM 0 HA PRO A 5 6.713 5.913 -1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.650 4.111 -1.427 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.153 4.700 -3.000 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.704 2.069 -1.700 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.488 2.442 -3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.960 2.008 -2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.745 2.811 -3.709 1.00 0.00 H new ATOM 83 N ALA A 6 5.929 5.505 0.713 1.00 0.00 N ATOM 84 CA ALA A 6 5.849 5.410 2.196 1.00 0.00 C ATOM 85 C ALA A 6 4.867 4.311 2.608 1.00 0.00 C ATOM 86 O ALA A 6 4.921 3.796 3.706 1.00 0.00 O ATOM 87 CB ALA A 6 5.344 6.779 2.653 1.00 0.00 C ATOM 0 H ALA A 6 5.375 6.254 0.298 1.00 0.00 H new ATOM 0 HA ALA A 6 6.810 5.158 2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.257 6.791 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.046 7.550 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.368 6.973 2.209 1.00 0.00 H new ATOM 93 N ILE A 7 3.964 3.954 1.738 1.00 0.00 N ATOM 94 CA ILE A 7 2.970 2.892 2.080 1.00 0.00 C ATOM 95 C ILE A 7 3.674 1.627 2.585 1.00 0.00 C ATOM 96 O ILE A 7 3.375 1.128 3.652 1.00 0.00 O ATOM 97 CB ILE A 7 2.193 2.613 0.783 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.525 1.236 0.864 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.135 2.639 -0.427 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.771 1.100 2.189 1.00 0.00 C ATOM 0 H ILE A 7 3.869 4.351 0.803 1.00 0.00 H new ATOM 0 HA ILE A 7 2.303 3.211 2.881 1.00 0.00 H new ATOM 0 HB ILE A 7 1.436 3.388 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.837 1.106 0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.277 0.452 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.566 2.439 -1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.605 3.620 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.904 1.876 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.299 0.119 2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.470 1.210 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.007 1.874 2.254 1.00 0.00 H new ATOM 112 N TYR A 8 4.595 1.098 1.834 1.00 0.00 N ATOM 113 CA TYR A 8 5.299 -0.137 2.280 1.00 0.00 C ATOM 114 C TYR A 8 5.777 0.022 3.722 1.00 0.00 C ATOM 115 O TYR A 8 5.883 -0.937 4.460 1.00 0.00 O ATOM 116 CB TYR A 8 6.483 -0.289 1.327 1.00 0.00 C ATOM 117 CG TYR A 8 5.973 -0.487 -0.081 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.789 -1.203 -0.306 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.682 0.048 -1.160 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.317 -1.380 -1.611 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.210 -0.130 -2.466 1.00 0.00 C ATOM 122 CZ TYR A 8 5.027 -0.844 -2.691 1.00 0.00 C ATOM 123 OH TYR A 8 4.561 -1.019 -3.979 1.00 0.00 O ATOM 0 H TYR A 8 4.892 1.466 0.930 1.00 0.00 H new ATOM 0 HA TYR A 8 4.652 -1.014 2.258 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.118 0.596 1.374 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.097 -1.138 1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.242 -1.618 0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.594 0.599 -0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.404 -1.931 -1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.758 0.283 -3.300 1.00 0.00 H new ATOM 0 HH TYR A 8 5.171 -0.583 -4.610 1.00 0.00 H new ATOM 133 N ILE A 9 6.056 1.225 4.135 1.00 0.00 N ATOM 134 CA ILE A 9 6.515 1.433 5.537 1.00 0.00 C ATOM 135 C ILE A 9 5.395 1.060 6.505 1.00 0.00 C ATOM 136 O ILE A 9 4.294 1.568 6.423 1.00 0.00 O ATOM 137 CB ILE A 9 6.847 2.921 5.641 1.00 0.00 C ATOM 138 CG1 ILE A 9 7.836 3.303 4.537 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.474 3.208 7.007 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.323 4.736 4.759 1.00 0.00 C ATOM 0 H ILE A 9 5.987 2.070 3.567 1.00 0.00 H new ATOM 0 HA ILE A 9 7.378 0.816 5.787 1.00 0.00 H new ATOM 0 HB ILE A 9 5.934 3.505 5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.682 2.616 4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.358 3.217 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.711 4.269 7.083 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.771 2.936 7.794 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.387 2.623 7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.027 5.007 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.472 5.417 4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.817 4.806 5.728 1.00 0.00 H new ATOM 152 N GLY A 10 5.660 0.163 7.411 1.00 0.00 N ATOM 153 CA GLY A 10 4.604 -0.254 8.371 1.00 0.00 C ATOM 154 C GLY A 10 3.477 -0.920 7.588 1.00 0.00 C ATOM 155 O GLY A 10 2.326 -0.878 7.971 1.00 0.00 O ATOM 0 H GLY A 10 6.562 -0.299 7.528 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.013 -0.945 9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.227 0.610 8.918 1.00 0.00 H new ATOM 159 N ALA A 11 3.806 -1.532 6.482 1.00 0.00 N ATOM 160 CA ALA A 11 2.753 -2.198 5.659 1.00 0.00 C ATOM 161 C ALA A 11 3.004 -3.706 5.589 1.00 0.00 C ATOM 162 O ALA A 11 3.742 -4.259 6.378 1.00 0.00 O ATOM 163 CB ALA A 11 2.880 -1.571 4.270 1.00 0.00 C ATOM 0 H ALA A 11 4.755 -1.600 6.113 1.00 0.00 H new ATOM 0 HA ALA A 11 1.757 -2.063 6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.137 -2.009 3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.715 -0.496 4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.878 -1.760 3.875 1.00 0.00 H new ATOM 169 N THR A 12 2.393 -4.376 4.647 1.00 0.00 N ATOM 170 CA THR A 12 2.601 -5.850 4.529 1.00 0.00 C ATOM 171 C THR A 12 2.412 -6.290 3.079 1.00 0.00 C ATOM 172 O THR A 12 1.313 -6.540 2.647 1.00 0.00 O ATOM 173 CB THR A 12 1.520 -6.478 5.411 1.00 0.00 C ATOM 174 OG1 THR A 12 1.833 -6.253 6.779 1.00 0.00 O ATOM 175 CG2 THR A 12 1.449 -7.982 5.137 1.00 0.00 C ATOM 0 H THR A 12 1.762 -3.969 3.957 1.00 0.00 H new ATOM 0 HA THR A 12 3.604 -6.148 4.833 1.00 0.00 H new ATOM 0 HB THR A 12 0.555 -6.024 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.540 -5.578 6.846 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.679 -8.430 5.765 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.205 -8.150 4.088 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.413 -8.439 5.363 1.00 0.00 H new ATOM 183 N VAL A 13 3.466 -6.391 2.324 1.00 0.00 N ATOM 184 CA VAL A 13 3.312 -6.817 0.902 1.00 0.00 C ATOM 185 C VAL A 13 3.381 -8.343 0.799 1.00 0.00 C ATOM 186 O VAL A 13 3.553 -9.031 1.784 1.00 0.00 O ATOM 187 CB VAL A 13 4.486 -6.171 0.164 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.621 -4.711 0.598 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.777 -6.921 0.500 1.00 0.00 C ATOM 0 H VAL A 13 4.422 -6.200 2.623 1.00 0.00 H new ATOM 0 HA VAL A 13 2.354 -6.515 0.480 1.00 0.00 H new ATOM 0 HB VAL A 13 4.307 -6.217 -0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.458 -4.251 0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.703 -4.174 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.799 -4.666 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.613 -6.460 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.955 -6.876 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.684 -7.962 0.191 1.00 0.00 H new ATOM 199 N GLY A 14 3.247 -8.874 -0.384 1.00 0.00 N ATOM 200 CA GLY A 14 3.304 -10.354 -0.549 1.00 0.00 C ATOM 201 C GLY A 14 4.730 -10.773 -0.913 1.00 0.00 C ATOM 202 O GLY A 14 5.667 -10.027 -0.712 1.00 0.00 O ATOM 0 H GLY A 14 3.100 -8.347 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.993 -10.845 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.611 -10.671 -1.328 1.00 0.00 H new ATOM 206 N PRO A 15 4.843 -11.961 -1.440 1.00 0.00 N ATOM 207 CA PRO A 15 6.168 -12.494 -1.842 1.00 0.00 C ATOM 208 C PRO A 15 6.659 -11.795 -3.113 1.00 0.00 C ATOM 209 O PRO A 15 7.800 -11.388 -3.208 1.00 0.00 O ATOM 210 CB PRO A 15 5.894 -13.972 -2.105 1.00 0.00 C ATOM 211 CG PRO A 15 4.437 -14.045 -2.436 1.00 0.00 C ATOM 212 CD PRO A 15 3.759 -12.911 -1.710 1.00 0.00 C ATOM 0 HA PRO A 15 6.941 -12.337 -1.090 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.504 -14.346 -2.927 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.131 -14.579 -1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.282 -13.961 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.020 -15.004 -2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.976 -12.460 -2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.289 -13.252 -0.788 1.00 0.00 H new ATOM 220 N SER A 16 5.806 -11.651 -4.090 1.00 0.00 N ATOM 221 CA SER A 16 6.227 -10.977 -5.351 1.00 0.00 C ATOM 222 C SER A 16 6.561 -9.509 -5.077 1.00 0.00 C ATOM 223 O SER A 16 7.628 -9.032 -5.412 1.00 0.00 O ATOM 224 CB SER A 16 5.021 -11.090 -6.283 1.00 0.00 C ATOM 225 OG SER A 16 5.172 -12.235 -7.111 1.00 0.00 O ATOM 0 H SER A 16 4.837 -11.970 -4.070 1.00 0.00 H new ATOM 0 HA SER A 16 7.119 -11.430 -5.785 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.103 -11.167 -5.701 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.935 -10.193 -6.896 1.00 0.00 H new ATOM 0 HG SER A 16 4.399 -12.311 -7.709 1.00 0.00 H new ATOM 231 N VAL A 17 5.660 -8.788 -4.467 1.00 0.00 N ATOM 232 CA VAL A 17 5.937 -7.354 -4.172 1.00 0.00 C ATOM 233 C VAL A 17 7.190 -7.235 -3.305 1.00 0.00 C ATOM 234 O VAL A 17 8.068 -6.443 -3.575 1.00 0.00 O ATOM 235 CB VAL A 17 4.709 -6.855 -3.411 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.749 -5.328 -3.328 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.439 -7.291 -4.145 1.00 0.00 C ATOM 0 H VAL A 17 4.748 -9.128 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 17 6.114 -6.772 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 17 4.709 -7.276 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.874 -4.970 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.653 -5.016 -2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.749 -4.909 -4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.564 -6.935 -3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.437 -6.871 -5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.410 -8.379 -4.207 1.00 0.00 H new ATOM 247 N TRP A 18 7.281 -8.022 -2.268 1.00 0.00 N ATOM 248 CA TRP A 18 8.484 -7.957 -1.390 1.00 0.00 C ATOM 249 C TRP A 18 9.750 -7.983 -2.244 1.00 0.00 C ATOM 250 O TRP A 18 10.489 -7.020 -2.313 1.00 0.00 O ATOM 251 CB TRP A 18 8.405 -9.211 -0.520 1.00 0.00 C ATOM 252 CG TRP A 18 9.636 -9.314 0.323 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.736 -10.033 0.004 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.912 -8.692 1.611 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.669 -9.894 1.017 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.207 -9.076 2.029 1.00 0.00 C ATOM 257 CE3 TRP A 18 9.170 -7.841 2.449 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.748 -8.632 3.235 1.00 0.00 C ATOM 259 CZ3 TRP A 18 9.711 -7.391 3.664 1.00 0.00 C ATOM 260 CH2 TRP A 18 10.998 -7.787 4.056 1.00 0.00 C ATOM 0 H TRP A 18 6.576 -8.706 -1.991 1.00 0.00 H new ATOM 0 HA TRP A 18 8.515 -7.046 -0.792 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.520 -9.171 0.115 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.307 -10.096 -1.148 1.00 0.00 H new ATOM 0 HD1 TRP A 18 10.865 -10.619 -0.894 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.586 -10.341 1.016 1.00 0.00 H new ATOM 0 HE3 TRP A 18 8.178 -7.532 2.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.740 -8.939 3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 9.133 -6.737 4.300 1.00 0.00 H new ATOM 0 HH2 TRP A 18 11.409 -7.439 4.992 1.00 0.00 H new ATOM 271 N ALA A 19 10.003 -9.082 -2.897 1.00 0.00 N ATOM 272 CA ALA A 19 11.219 -9.180 -3.753 1.00 0.00 C ATOM 273 C ALA A 19 11.401 -7.894 -4.562 1.00 0.00 C ATOM 274 O ALA A 19 12.504 -7.422 -4.758 1.00 0.00 O ATOM 275 CB ALA A 19 10.955 -10.367 -4.681 1.00 0.00 C ATOM 0 H ALA A 19 9.420 -9.918 -2.875 1.00 0.00 H new ATOM 0 HA ALA A 19 12.128 -9.316 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.808 -10.506 -5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.808 -11.268 -4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.061 -10.174 -5.273 1.00 0.00 H new ATOM 281 N TYR A 20 10.328 -7.323 -5.031 1.00 0.00 N ATOM 282 CA TYR A 20 10.439 -6.065 -5.826 1.00 0.00 C ATOM 283 C TYR A 20 11.063 -4.956 -4.975 1.00 0.00 C ATOM 284 O TYR A 20 11.993 -4.291 -5.387 1.00 0.00 O ATOM 285 CB TYR A 20 9.003 -5.704 -6.200 1.00 0.00 C ATOM 286 CG TYR A 20 9.013 -4.763 -7.380 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.558 -5.177 -8.601 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.480 -3.475 -7.252 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.570 -4.303 -9.695 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.491 -2.601 -8.346 1.00 0.00 C ATOM 291 CZ TYR A 20 9.036 -3.015 -9.567 1.00 0.00 C ATOM 292 OH TYR A 20 9.048 -2.154 -10.646 1.00 0.00 O ATOM 0 H TYR A 20 9.378 -7.671 -4.899 1.00 0.00 H new ATOM 0 HA TYR A 20 11.072 -6.188 -6.705 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.442 -6.606 -6.445 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.501 -5.237 -5.353 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.969 -6.171 -8.699 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.060 -3.155 -6.310 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.991 -4.622 -10.637 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.079 -1.608 -8.248 1.00 0.00 H new ATOM 0 HH TYR A 20 8.639 -1.302 -10.389 1.00 0.00 H new ATOM 302 N LEU A 21 10.556 -4.753 -3.791 1.00 0.00 N ATOM 303 CA LEU A 21 11.113 -3.689 -2.911 1.00 0.00 C ATOM 304 C LEU A 21 12.589 -3.970 -2.617 1.00 0.00 C ATOM 305 O LEU A 21 13.367 -3.067 -2.383 1.00 0.00 O ATOM 306 CB LEU A 21 10.281 -3.772 -1.633 1.00 0.00 C ATOM 307 CG LEU A 21 10.174 -2.384 -0.999 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.573 -2.507 0.402 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.567 -1.759 -0.903 1.00 0.00 C ATOM 0 H LEU A 21 9.778 -5.280 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 21 11.066 -2.700 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.287 -4.157 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.741 -4.468 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 21 9.533 -1.752 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.497 -1.518 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.580 -2.952 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.213 -3.139 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.492 -0.770 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.208 -2.391 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.996 -1.670 -1.901 1.00 0.00 H new ATOM 321 N VAL A 22 12.979 -5.214 -2.632 1.00 0.00 N ATOM 322 CA VAL A 22 14.405 -5.550 -2.357 1.00 0.00 C ATOM 323 C VAL A 22 15.294 -5.017 -3.481 1.00 0.00 C ATOM 324 O VAL A 22 16.296 -4.372 -3.244 1.00 0.00 O ATOM 325 CB VAL A 22 14.454 -7.076 -2.309 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.873 -7.530 -1.963 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.483 -7.583 -1.240 1.00 0.00 C ATOM 0 H VAL A 22 12.373 -6.012 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 22 14.764 -5.106 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 22 14.170 -7.480 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.908 -8.619 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.566 -7.168 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.157 -7.127 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.517 -8.672 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.768 -7.179 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.471 -7.259 -1.484 1.00 0.00 H new ATOM 337 N ALA A 23 14.931 -5.280 -4.703 1.00 0.00 N ATOM 338 CA ALA A 23 15.749 -4.786 -5.845 1.00 0.00 C ATOM 339 C ALA A 23 15.771 -3.256 -5.847 1.00 0.00 C ATOM 340 O ALA A 23 16.779 -2.638 -6.126 1.00 0.00 O ATOM 341 CB ALA A 23 15.048 -5.316 -7.096 1.00 0.00 C ATOM 0 H ALA A 23 14.103 -5.816 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 23 16.785 -5.121 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.593 -4.993 -7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.020 -6.405 -7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 23 14.030 -4.928 -7.134 1.00 0.00 H new ATOM 347 N LEU A 24 14.662 -2.641 -5.535 1.00 0.00 N ATOM 348 CA LEU A 24 14.611 -1.153 -5.516 1.00 0.00 C ATOM 349 C LEU A 24 15.594 -0.604 -4.478 1.00 0.00 C ATOM 350 O LEU A 24 16.286 0.366 -4.717 1.00 0.00 O ATOM 351 CB LEU A 24 13.172 -0.819 -5.120 1.00 0.00 C ATOM 352 CG LEU A 24 12.774 0.531 -5.720 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.004 0.508 -7.232 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.295 0.796 -5.435 1.00 0.00 C ATOM 0 H LEU A 24 13.788 -3.107 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 24 14.886 -0.714 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.497 -1.598 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.081 -0.787 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 24 13.380 1.319 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.720 1.470 -7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.057 0.317 -7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.399 -0.280 -7.680 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.009 1.757 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.691 0.006 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.129 0.813 -4.358 1.00 0.00 H new ATOM 366 N VAL A 25 15.661 -1.217 -3.328 1.00 0.00 N ATOM 367 CA VAL A 25 16.598 -0.729 -2.274 1.00 0.00 C ATOM 368 C VAL A 25 17.431 -1.894 -1.723 1.00 0.00 C ATOM 369 O VAL A 25 18.641 -1.822 -1.642 1.00 0.00 O ATOM 370 CB VAL A 25 15.710 -0.122 -1.171 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.412 -0.925 -1.016 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.464 -0.136 0.157 1.00 0.00 C ATOM 0 H VAL A 25 15.108 -2.035 -3.072 1.00 0.00 H new ATOM 0 HA VAL A 25 17.301 0.006 -2.666 1.00 0.00 H new ATOM 0 HB VAL A 25 15.463 0.902 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.800 -0.479 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.862 -0.913 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.651 -1.954 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.835 0.294 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.718 -1.163 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.377 0.451 0.063 1.00 0.00 H new ATOM 382 N GLY A 26 16.790 -2.961 -1.334 1.00 0.00 N ATOM 383 CA GLY A 26 17.541 -4.122 -0.778 1.00 0.00 C ATOM 384 C GLY A 26 16.803 -4.656 0.450 1.00 0.00 C ATOM 385 O GLY A 26 15.943 -3.999 1.004 1.00 0.00 O ATOM 0 H GLY A 26 15.778 -3.080 -1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.633 -4.905 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.553 -3.820 -0.507 1.00 0.00 H new ATOM 389 N ALA A 27 17.124 -5.846 0.877 1.00 0.00 N ATOM 390 CA ALA A 27 16.433 -6.423 2.063 1.00 0.00 C ATOM 391 C ALA A 27 16.768 -5.629 3.329 1.00 0.00 C ATOM 392 O ALA A 27 16.174 -5.830 4.370 1.00 0.00 O ATOM 393 CB ALA A 27 16.962 -7.852 2.170 1.00 0.00 C ATOM 0 H ALA A 27 17.835 -6.444 0.455 1.00 0.00 H new ATOM 0 HA ALA A 27 15.349 -6.392 1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.500 -8.348 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.721 -8.398 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.043 -7.831 2.305 1.00 0.00 H new ATOM 399 N ALA A 28 17.710 -4.727 3.256 1.00 0.00 N ATOM 400 CA ALA A 28 18.064 -3.935 4.462 1.00 0.00 C ATOM 401 C ALA A 28 16.999 -2.872 4.710 1.00 0.00 C ATOM 402 O ALA A 28 16.258 -2.936 5.671 1.00 0.00 O ATOM 403 CB ALA A 28 19.412 -3.290 4.142 1.00 0.00 C ATOM 0 H ALA A 28 18.246 -4.507 2.416 1.00 0.00 H new ATOM 0 HA ALA A 28 18.121 -4.549 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.738 -2.688 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.150 -4.068 3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.311 -2.654 3.263 1.00 0.00 H new ATOM 409 N ALA A 29 16.899 -1.903 3.845 1.00 0.00 N ATOM 410 CA ALA A 29 15.858 -0.858 4.039 1.00 0.00 C ATOM 411 C ALA A 29 14.484 -1.518 3.967 1.00 0.00 C ATOM 412 O ALA A 29 13.500 -0.992 4.447 1.00 0.00 O ATOM 413 CB ALA A 29 16.046 0.127 2.886 1.00 0.00 C ATOM 0 H ALA A 29 17.487 -1.790 3.019 1.00 0.00 H new ATOM 0 HA ALA A 29 15.938 -0.352 5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.309 0.926 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.049 0.552 2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 29 15.914 -0.394 1.938 1.00 0.00 H new ATOM 419 N VAL A 30 14.419 -2.681 3.376 1.00 0.00 N ATOM 420 CA VAL A 30 13.119 -3.395 3.276 1.00 0.00 C ATOM 421 C VAL A 30 12.704 -3.904 4.659 1.00 0.00 C ATOM 422 O VAL A 30 11.541 -3.894 5.011 1.00 0.00 O ATOM 423 CB VAL A 30 13.379 -4.563 2.322 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.284 -5.619 2.489 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.375 -4.052 0.880 1.00 0.00 C ATOM 0 H VAL A 30 15.213 -3.166 2.958 1.00 0.00 H new ATOM 0 HA VAL A 30 12.314 -2.755 2.915 1.00 0.00 H new ATOM 0 HB VAL A 30 14.348 -5.007 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.472 -6.449 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.285 -5.985 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.314 -5.176 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.560 -4.883 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.406 -3.607 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.156 -3.302 0.758 1.00 0.00 H new ATOM 435 N THR A 31 13.649 -4.345 5.447 1.00 0.00 N ATOM 436 CA THR A 31 13.303 -4.850 6.808 1.00 0.00 C ATOM 437 C THR A 31 13.233 -3.683 7.796 1.00 0.00 C ATOM 438 O THR A 31 12.558 -3.750 8.805 1.00 0.00 O ATOM 439 CB THR A 31 14.439 -5.803 7.179 1.00 0.00 C ATOM 440 OG1 THR A 31 14.505 -6.853 6.224 1.00 0.00 O ATOM 441 CG2 THR A 31 14.183 -6.390 8.568 1.00 0.00 C ATOM 0 H THR A 31 14.640 -4.377 5.209 1.00 0.00 H new ATOM 0 HA THR A 31 12.334 -5.348 6.833 1.00 0.00 H new ATOM 0 HB THR A 31 15.383 -5.258 7.186 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.903 -6.516 5.394 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.994 -7.069 8.831 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.133 -5.584 9.300 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.239 -6.936 8.564 1.00 0.00 H new ATOM 449 N ALA A 32 13.923 -2.612 7.513 1.00 0.00 N ATOM 450 CA ALA A 32 13.893 -1.439 8.432 1.00 0.00 C ATOM 451 C ALA A 32 12.629 -0.614 8.181 1.00 0.00 C ATOM 452 O ALA A 32 12.215 0.175 9.006 1.00 0.00 O ATOM 453 CB ALA A 32 15.141 -0.628 8.083 1.00 0.00 C ATOM 0 H ALA A 32 14.507 -2.499 6.684 1.00 0.00 H new ATOM 0 HA ALA A 32 13.882 -1.733 9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.190 0.256 8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.029 -1.240 8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.095 -0.321 7.038 1.00 0.00 H new ATOM 459 N ALA A 33 12.010 -0.800 7.047 1.00 0.00 N ATOM 460 CA ALA A 33 10.769 -0.036 6.739 1.00 0.00 C ATOM 461 C ALA A 33 9.548 -0.812 7.233 1.00 0.00 C ATOM 462 O ALA A 33 8.457 -0.666 6.722 1.00 0.00 O ATOM 463 CB ALA A 33 10.747 0.088 5.215 1.00 0.00 C ATOM 0 H ALA A 33 12.311 -1.449 6.320 1.00 0.00 H new ATOM 0 HA ALA A 33 10.748 0.940 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.859 0.641 4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.639 0.618 4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.727 -0.907 4.769 1.00 0.00 H new ATOM 469 N ASN A 34 9.731 -1.640 8.226 1.00 0.00 N ATOM 470 CA ASN A 34 8.593 -2.436 8.765 1.00 0.00 C ATOM 471 C ASN A 34 7.701 -2.941 7.626 1.00 0.00 C ATOM 472 O ASN A 34 6.620 -2.431 7.386 1.00 0.00 O ATOM 473 CB ASN A 34 7.828 -1.471 9.671 1.00 0.00 C ATOM 474 CG ASN A 34 6.910 -2.264 10.604 1.00 0.00 C ATOM 475 OD1 ASN A 34 5.763 -1.912 10.792 1.00 0.00 O ATOM 476 ND2 ASN A 34 7.370 -3.328 11.204 1.00 0.00 N ATOM 0 H ASN A 34 10.626 -1.799 8.689 1.00 0.00 H new ATOM 0 HA ASN A 34 8.930 -3.320 9.307 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.527 -0.872 10.255 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.241 -0.778 9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.766 -3.862 11.829 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.333 -3.626 11.048 1.00 0.00 H new ATOM 483 N ILE A 35 8.149 -3.948 6.928 1.00 0.00 N ATOM 484 CA ILE A 35 7.339 -4.507 5.810 1.00 0.00 C ATOM 485 C ILE A 35 7.122 -6.004 6.037 1.00 0.00 C ATOM 486 O ILE A 35 8.060 -6.774 6.098 1.00 0.00 O ATOM 487 CB ILE A 35 8.174 -4.262 4.554 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.155 -2.769 4.214 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.586 -5.055 3.385 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.269 -2.457 3.214 1.00 0.00 C ATOM 0 H ILE A 35 9.045 -4.409 7.085 1.00 0.00 H new ATOM 0 HA ILE A 35 6.354 -4.047 5.730 1.00 0.00 H new ATOM 0 HB ILE A 35 9.200 -4.584 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.188 -2.494 3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.289 -2.178 5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.182 -4.879 2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.596 -6.118 3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.560 -4.733 3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.254 -1.394 2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.233 -2.717 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.115 -3.038 2.304 1.00 0.00 H new ATOM 502 N ARG A 36 5.896 -6.423 6.178 1.00 0.00 N ATOM 503 CA ARG A 36 5.630 -7.870 6.416 1.00 0.00 C ATOM 504 C ARG A 36 5.277 -8.573 5.104 1.00 0.00 C ATOM 505 O ARG A 36 4.827 -7.958 4.155 1.00 0.00 O ATOM 506 CB ARG A 36 4.439 -7.902 7.375 1.00 0.00 C ATOM 507 CG ARG A 36 4.882 -7.425 8.759 1.00 0.00 C ATOM 508 CD ARG A 36 3.848 -7.853 9.802 1.00 0.00 C ATOM 509 NE ARG A 36 3.768 -6.710 10.753 1.00 0.00 N ATOM 510 CZ ARG A 36 2.720 -6.570 11.518 1.00 0.00 C ATOM 511 NH1 ARG A 36 2.029 -7.618 11.872 1.00 0.00 N ATOM 512 NH2 ARG A 36 2.363 -5.383 11.926 1.00 0.00 N ATOM 0 H ARG A 36 5.068 -5.829 6.139 1.00 0.00 H new ATOM 0 HA ARG A 36 6.500 -8.384 6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.639 -7.265 6.999 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.038 -8.913 7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.857 -7.845 9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.991 -6.341 8.764 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.881 -8.052 9.341 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.154 -8.768 10.309 1.00 0.00 H new ATOM 0 HE ARG A 36 4.532 -6.037 10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.308 -8.545 11.551 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.210 -7.510 12.470 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.903 -4.564 11.647 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.544 -5.274 12.524 1.00 0.00 H new ATOM 526 N ARG A 37 5.474 -9.862 5.050 1.00 0.00 N ATOM 527 CA ARG A 37 5.147 -10.618 3.810 1.00 0.00 C ATOM 528 C ARG A 37 3.886 -11.457 4.036 1.00 0.00 C ATOM 529 O ARG A 37 3.698 -12.039 5.086 1.00 0.00 O ATOM 530 CB ARG A 37 6.357 -11.519 3.565 1.00 0.00 C ATOM 531 CG ARG A 37 7.263 -10.880 2.510 1.00 0.00 C ATOM 532 CD ARG A 37 8.380 -11.856 2.135 1.00 0.00 C ATOM 533 NE ARG A 37 7.689 -13.148 1.868 1.00 0.00 N ATOM 534 CZ ARG A 37 8.085 -14.236 2.469 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.338 -14.378 2.801 1.00 0.00 N ATOM 536 NH2 ARG A 37 7.227 -15.182 2.739 1.00 0.00 N ATOM 0 H ARG A 37 5.848 -10.425 5.814 1.00 0.00 H new ATOM 0 HA ARG A 37 4.952 -9.965 2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.909 -11.665 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.029 -12.503 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.681 -10.620 1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.689 -9.954 2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.927 -11.512 1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.105 -11.956 2.943 1.00 0.00 H new ATOM 0 HE ARG A 37 6.906 -13.182 1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.008 -13.638 2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.648 -15.229 3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.247 -15.071 2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.537 -16.033 3.209 1.00 0.00 H new ATOM 550 N ALA A 38 3.017 -11.518 3.065 1.00 0.00 N ATOM 551 CA ALA A 38 1.769 -12.314 3.235 1.00 0.00 C ATOM 552 C ALA A 38 1.719 -13.455 2.216 1.00 0.00 C ATOM 553 O ALA A 38 2.451 -13.469 1.247 1.00 0.00 O ATOM 554 CB ALA A 38 0.635 -11.319 2.989 1.00 0.00 C ATOM 0 H ALA A 38 3.117 -11.052 2.163 1.00 0.00 H new ATOM 0 HA ALA A 38 1.703 -12.775 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.324 -11.826 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.699 -10.508 3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.720 -10.912 1.981 1.00 0.00 H new ATOM 560 N SER A 39 0.859 -14.414 2.430 1.00 0.00 N ATOM 561 CA SER A 39 0.761 -15.558 1.478 1.00 0.00 C ATOM 562 C SER A 39 0.820 -15.055 0.033 1.00 0.00 C ATOM 563 O SER A 39 1.230 -15.763 -0.865 1.00 0.00 O ATOM 564 CB SER A 39 -0.596 -16.198 1.766 1.00 0.00 C ATOM 565 OG SER A 39 -0.396 -17.465 2.381 1.00 0.00 O ATOM 0 H SER A 39 0.220 -14.455 3.224 1.00 0.00 H new ATOM 0 HA SER A 39 1.581 -16.266 1.600 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.184 -15.553 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.160 -16.315 0.841 1.00 0.00 H new ATOM 0 HG SER A 39 -1.265 -17.878 2.569 1.00 0.00 H new ATOM 571 N SER A 40 0.414 -13.837 -0.198 1.00 0.00 N ATOM 572 CA SER A 40 0.448 -13.292 -1.585 1.00 0.00 C ATOM 573 C SER A 40 0.108 -11.800 -1.576 1.00 0.00 C ATOM 574 O SER A 40 0.166 -11.144 -0.556 1.00 0.00 O ATOM 575 CB SER A 40 -0.615 -14.081 -2.347 1.00 0.00 C ATOM 576 OG SER A 40 0.008 -15.138 -3.063 1.00 0.00 O ATOM 0 H SER A 40 0.061 -13.196 0.512 1.00 0.00 H new ATOM 0 HA SER A 40 1.432 -13.389 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.354 -14.482 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.148 -13.425 -3.035 1.00 0.00 H new ATOM 0 HG SER A 40 0.437 -15.752 -2.432 1.00 0.00 H new ATOM 582 N ASP A 41 -0.247 -11.260 -2.710 1.00 0.00 N ATOM 583 CA ASP A 41 -0.591 -9.811 -2.773 1.00 0.00 C ATOM 584 C ASP A 41 -1.870 -9.534 -1.980 1.00 0.00 C ATOM 585 O ASP A 41 -2.251 -8.399 -1.777 1.00 0.00 O ATOM 586 CB ASP A 41 -0.808 -9.525 -4.259 1.00 0.00 C ATOM 587 CG ASP A 41 0.518 -9.673 -5.007 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.441 -8.941 -4.689 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.589 -10.516 -5.886 1.00 0.00 O ATOM 0 H ASP A 41 -0.314 -11.760 -3.596 1.00 0.00 H new ATOM 0 HA ASP A 41 0.188 -9.181 -2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.547 -10.213 -4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.202 -8.518 -4.392 1.00 0.00 H new ATOM 594 N ASN A 42 -2.539 -10.562 -1.536 1.00 0.00 N ATOM 595 CA ASN A 42 -3.796 -10.357 -0.761 1.00 0.00 C ATOM 596 C ASN A 42 -3.507 -10.366 0.742 1.00 0.00 C ATOM 597 O ASN A 42 -3.332 -11.408 1.343 1.00 0.00 O ATOM 598 CB ASN A 42 -4.685 -11.541 -1.144 1.00 0.00 C ATOM 599 CG ASN A 42 -5.917 -11.579 -0.236 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.566 -12.599 -0.118 1.00 0.00 O ATOM 601 ND2 ASN A 42 -6.269 -10.505 0.416 1.00 0.00 N ATOM 0 H ASN A 42 -2.270 -11.536 -1.676 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.267 -9.399 -0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.992 -11.455 -2.186 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.126 -12.472 -1.053 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.088 -10.523 1.024 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.725 -9.648 0.318 1.00 0.00 H new ATOM 608 N HIS A 43 -3.459 -9.215 1.357 1.00 0.00 N ATOM 609 CA HIS A 43 -3.187 -9.165 2.823 1.00 0.00 C ATOM 610 C HIS A 43 -3.996 -8.047 3.480 1.00 0.00 C ATOM 611 O HIS A 43 -4.737 -7.337 2.830 1.00 0.00 O ATOM 612 CB HIS A 43 -1.686 -8.890 2.969 1.00 0.00 C ATOM 613 CG HIS A 43 -1.197 -7.977 1.873 1.00 0.00 C ATOM 614 ND1 HIS A 43 -0.993 -6.618 2.071 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.821 -8.225 0.577 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.504 -6.108 0.921 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.386 -7.047 -0.021 1.00 0.00 N ATOM 0 H HIS A 43 -3.596 -8.309 0.909 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.471 -10.098 3.310 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.488 -8.437 3.940 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.135 -9.830 2.937 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.857 -9.190 0.094 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.241 -5.070 0.780 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.049 -6.926 -0.976 1.00 0.00 H new ATOM 625 N SER A 44 -3.852 -7.885 4.765 1.00 0.00 N ATOM 626 CA SER A 44 -4.606 -6.810 5.470 1.00 0.00 C ATOM 627 C SER A 44 -3.802 -5.510 5.435 1.00 0.00 C ATOM 628 O SER A 44 -2.686 -5.448 5.911 1.00 0.00 O ATOM 629 CB SER A 44 -4.765 -7.301 6.910 1.00 0.00 C ATOM 630 OG SER A 44 -4.374 -8.665 6.996 1.00 0.00 O ATOM 0 H SER A 44 -3.245 -8.450 5.358 1.00 0.00 H new ATOM 0 HA SER A 44 -5.572 -6.610 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.156 -6.695 7.581 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.801 -7.188 7.231 1.00 0.00 H new ATOM 0 HG SER A 44 -5.067 -9.230 6.594 1.00 0.00 H new ATOM 636 N CYS A 45 -4.353 -4.471 4.873 1.00 0.00 N ATOM 637 CA CYS A 45 -3.604 -3.184 4.812 1.00 0.00 C ATOM 638 C CYS A 45 -4.324 -2.099 5.615 1.00 0.00 C ATOM 639 O CYS A 45 -5.354 -2.332 6.229 1.00 0.00 O ATOM 640 CB CYS A 45 -3.553 -2.810 3.334 1.00 0.00 C ATOM 641 SG CYS A 45 -5.217 -2.870 2.631 1.00 0.00 S ATOM 0 H CYS A 45 -5.284 -4.456 4.456 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.606 -3.280 5.240 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.134 -1.811 3.216 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.897 -3.496 2.798 1.00 0.00 H new ATOM 646 N ALA A 46 -3.782 -0.914 5.621 1.00 0.00 N ATOM 647 CA ALA A 46 -4.417 0.188 6.393 1.00 0.00 C ATOM 648 C ALA A 46 -4.724 -0.308 7.805 1.00 0.00 C ATOM 649 O ALA A 46 -5.775 -0.046 8.354 1.00 0.00 O ATOM 650 CB ALA A 46 -5.709 0.514 5.640 1.00 0.00 C ATOM 0 H ALA A 46 -2.927 -0.661 5.125 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.779 1.067 6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.234 1.321 6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.469 0.824 4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.345 -0.371 5.609 1.00 0.00 H new ATOM 656 N GLY A 47 -3.815 -1.042 8.387 1.00 0.00 N ATOM 657 CA GLY A 47 -4.055 -1.579 9.753 1.00 0.00 C ATOM 658 C GLY A 47 -5.212 -2.573 9.684 1.00 0.00 C ATOM 659 O GLY A 47 -5.472 -3.161 8.654 1.00 0.00 O ATOM 0 H GLY A 47 -2.917 -1.292 7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.157 -2.068 10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.292 -0.769 10.443 1.00 0.00 H new ATOM 663 N ASN A 48 -5.918 -2.761 10.761 1.00 0.00 N ATOM 664 CA ASN A 48 -7.061 -3.709 10.736 1.00 0.00 C ATOM 665 C ASN A 48 -8.320 -2.990 10.240 1.00 0.00 C ATOM 666 O ASN A 48 -9.412 -3.234 10.713 1.00 0.00 O ATOM 667 CB ASN A 48 -7.234 -4.164 12.185 1.00 0.00 C ATOM 668 CG ASN A 48 -7.159 -5.690 12.254 1.00 0.00 C ATOM 669 OD1 ASN A 48 -6.177 -6.242 12.711 1.00 0.00 O ATOM 670 ND2 ASN A 48 -8.162 -6.402 11.818 1.00 0.00 N ATOM 0 H ASN A 48 -5.753 -2.300 11.656 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.889 -4.553 10.068 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.458 -3.723 12.811 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.192 -3.819 12.574 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.121 -7.420 11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.987 -5.940 11.434 1.00 0.00 H new ATOM 677 N ARG A 49 -8.174 -2.089 9.302 1.00 0.00 N ATOM 678 CA ARG A 49 -9.356 -1.345 8.793 1.00 0.00 C ATOM 679 C ARG A 49 -9.583 -1.620 7.303 1.00 0.00 C ATOM 680 O ARG A 49 -10.701 -1.593 6.828 1.00 0.00 O ATOM 681 CB ARG A 49 -9.006 0.123 9.017 1.00 0.00 C ATOM 682 CG ARG A 49 -9.140 0.462 10.503 1.00 0.00 C ATOM 683 CD ARG A 49 -10.280 1.465 10.699 1.00 0.00 C ATOM 684 NE ARG A 49 -9.617 2.798 10.732 1.00 0.00 N ATOM 685 CZ ARG A 49 -10.218 3.838 10.220 1.00 0.00 C ATOM 686 NH1 ARG A 49 -11.428 4.145 10.599 1.00 0.00 N ATOM 687 NH2 ARG A 49 -9.607 4.570 9.329 1.00 0.00 N ATOM 0 H ARG A 49 -7.285 -1.839 8.869 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.275 -1.641 9.300 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.989 0.320 8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.667 0.759 8.428 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.336 -0.444 11.077 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.205 0.880 10.877 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.004 1.404 9.886 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.822 1.271 11.624 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.694 2.899 11.154 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.905 3.573 11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.897 4.958 10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.661 4.329 9.033 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.076 5.383 8.928 1.00 0.00 H new ATOM 701 N GLY A 50 -8.542 -1.875 6.555 1.00 0.00 N ATOM 702 CA GLY A 50 -8.735 -2.135 5.099 1.00 0.00 C ATOM 703 C GLY A 50 -8.119 -3.485 4.725 1.00 0.00 C ATOM 704 O GLY A 50 -7.285 -4.017 5.430 1.00 0.00 O ATOM 0 H GLY A 50 -7.577 -1.914 6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.798 -2.131 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.273 -1.340 4.514 1.00 0.00 H new ATOM 708 N TRP A 51 -8.529 -4.045 3.618 1.00 0.00 N ATOM 709 CA TRP A 51 -7.975 -5.364 3.193 1.00 0.00 C ATOM 710 C TRP A 51 -7.564 -5.318 1.717 1.00 0.00 C ATOM 711 O TRP A 51 -7.792 -4.342 1.032 1.00 0.00 O ATOM 712 CB TRP A 51 -9.126 -6.349 3.394 1.00 0.00 C ATOM 713 CG TRP A 51 -9.011 -6.993 4.739 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.800 -6.715 5.802 1.00 0.00 C ATOM 715 CD2 TRP A 51 -8.073 -8.016 5.182 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.406 -7.502 6.869 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.344 -8.320 6.537 1.00 0.00 C ATOM 718 CE3 TRP A 51 -7.022 -8.702 4.546 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.602 -9.271 7.237 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -6.272 -9.659 5.248 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.561 -9.943 6.590 1.00 0.00 C ATOM 0 H TRP A 51 -9.225 -3.645 2.989 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.087 -5.643 3.760 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.081 -5.830 3.310 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.107 -7.110 2.613 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.606 -5.996 5.815 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.846 -7.481 7.789 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.791 -8.491 3.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.830 -9.486 8.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.467 -10.180 4.751 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.980 -10.680 7.124 1.00 0.00 H new ATOM 732 N CYS A 52 -6.961 -6.366 1.221 1.00 0.00 N ATOM 733 CA CYS A 52 -6.541 -6.377 -0.211 1.00 0.00 C ATOM 734 C CYS A 52 -7.443 -7.308 -1.025 1.00 0.00 C ATOM 735 O CYS A 52 -7.426 -8.511 -0.853 1.00 0.00 O ATOM 736 CB CYS A 52 -5.110 -6.909 -0.199 1.00 0.00 C ATOM 737 SG CYS A 52 -4.290 -6.478 -1.753 1.00 0.00 S ATOM 0 H CYS A 52 -6.741 -7.213 1.744 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.610 -5.388 -0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.561 -6.487 0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.114 -7.991 -0.066 1.00 0.00 H new ATOM 742 N ARG A 53 -8.229 -6.762 -1.912 1.00 0.00 N ATOM 743 CA ARG A 53 -9.129 -7.615 -2.742 1.00 0.00 C ATOM 744 C ARG A 53 -8.931 -7.292 -4.225 1.00 0.00 C ATOM 745 O ARG A 53 -8.735 -6.152 -4.596 1.00 0.00 O ATOM 746 CB ARG A 53 -10.549 -7.239 -2.309 1.00 0.00 C ATOM 747 CG ARG A 53 -10.627 -7.139 -0.785 1.00 0.00 C ATOM 748 CD ARG A 53 -11.048 -5.722 -0.399 1.00 0.00 C ATOM 749 NE ARG A 53 -10.898 -5.662 1.082 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.891 -6.011 1.852 1.00 0.00 C ATOM 751 NH1 ARG A 53 -12.993 -5.310 1.856 1.00 0.00 N ATOM 752 NH2 ARG A 53 -11.784 -7.061 2.619 1.00 0.00 N ATOM 0 H ARG A 53 -8.288 -5.761 -2.099 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.928 -8.678 -2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.834 -6.288 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.257 -7.986 -2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.343 -7.863 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.660 -7.378 -0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.421 -4.977 -0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.076 -5.521 -0.700 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.019 -5.348 1.494 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.077 -4.489 1.257 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.769 -5.584 2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.924 -7.609 2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.561 -7.334 3.221 1.00 0.00 H new ATOM 766 N SER A 54 -8.994 -8.277 -5.082 1.00 0.00 N ATOM 767 CA SER A 54 -8.823 -7.993 -6.535 1.00 0.00 C ATOM 768 C SER A 54 -9.739 -6.834 -6.916 1.00 0.00 C ATOM 769 O SER A 54 -9.340 -5.893 -7.573 1.00 0.00 O ATOM 770 CB SER A 54 -9.245 -9.277 -7.249 1.00 0.00 C ATOM 771 OG SER A 54 -9.130 -9.092 -8.654 1.00 0.00 O ATOM 0 H SER A 54 -9.155 -9.255 -4.841 1.00 0.00 H new ATOM 0 HA SER A 54 -7.803 -7.714 -6.801 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.618 -10.109 -6.927 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.272 -9.532 -6.987 1.00 0.00 H new ATOM 0 HG SER A 54 -9.398 -9.914 -9.115 1.00 0.00 H new ATOM 777 N LYS A 55 -10.964 -6.897 -6.482 1.00 0.00 N ATOM 778 CA LYS A 55 -11.930 -5.813 -6.774 1.00 0.00 C ATOM 779 C LYS A 55 -12.526 -5.318 -5.453 1.00 0.00 C ATOM 780 O LYS A 55 -12.139 -5.761 -4.392 1.00 0.00 O ATOM 781 CB LYS A 55 -13.002 -6.471 -7.635 1.00 0.00 C ATOM 782 CG LYS A 55 -13.525 -7.721 -6.929 1.00 0.00 C ATOM 783 CD LYS A 55 -12.656 -8.922 -7.308 1.00 0.00 C ATOM 784 CE LYS A 55 -13.543 -10.043 -7.856 1.00 0.00 C ATOM 785 NZ LYS A 55 -13.771 -10.952 -6.699 1.00 0.00 N ATOM 0 H LYS A 55 -11.340 -7.667 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.482 -4.957 -7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.819 -5.772 -7.814 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.590 -6.736 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.511 -7.575 -5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.561 -7.905 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.919 -8.629 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.104 -9.274 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.484 -9.650 -8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.056 -10.566 -8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.372 -11.747 -6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.858 -11.316 -6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.242 -10.429 -5.934 1.00 0.00 H new ATOM 799 N CYS A 56 -13.465 -4.415 -5.501 1.00 0.00 N ATOM 800 CA CYS A 56 -14.069 -3.913 -4.232 1.00 0.00 C ATOM 801 C CYS A 56 -15.519 -3.475 -4.457 1.00 0.00 C ATOM 802 O CYS A 56 -15.938 -3.221 -5.569 1.00 0.00 O ATOM 803 CB CYS A 56 -13.202 -2.720 -3.825 1.00 0.00 C ATOM 804 SG CYS A 56 -11.549 -3.306 -3.377 1.00 0.00 S ATOM 0 H CYS A 56 -13.839 -4.004 -6.356 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.095 -4.683 -3.461 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.137 -2.006 -4.646 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.655 -2.197 -2.983 1.00 0.00 H new ATOM 809 N PHE A 57 -16.287 -3.391 -3.406 1.00 0.00 N ATOM 810 CA PHE A 57 -17.710 -2.976 -3.545 1.00 0.00 C ATOM 811 C PHE A 57 -17.812 -1.453 -3.659 1.00 0.00 C ATOM 812 O PHE A 57 -16.845 -0.740 -3.481 1.00 0.00 O ATOM 813 CB PHE A 57 -18.381 -3.464 -2.261 1.00 0.00 C ATOM 814 CG PHE A 57 -17.994 -4.902 -2.009 1.00 0.00 C ATOM 815 CD1 PHE A 57 -18.665 -5.935 -2.676 1.00 0.00 C ATOM 816 CD2 PHE A 57 -16.962 -5.201 -1.111 1.00 0.00 C ATOM 817 CE1 PHE A 57 -18.303 -7.268 -2.443 1.00 0.00 C ATOM 818 CE2 PHE A 57 -16.601 -6.534 -0.880 1.00 0.00 C ATOM 819 CZ PHE A 57 -17.271 -7.567 -1.545 1.00 0.00 C ATOM 0 H PHE A 57 -15.988 -3.593 -2.452 1.00 0.00 H new ATOM 0 HA PHE A 57 -18.178 -3.389 -4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -18.078 -2.841 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -19.464 -3.377 -2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -19.460 -5.704 -3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -16.445 -4.404 -0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -18.820 -8.065 -2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.805 -6.765 -0.188 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.992 -8.595 -1.366 1.00 0.00 H new ATOM 829 N ARG A 58 -18.979 -0.949 -3.956 1.00 0.00 N ATOM 830 CA ARG A 58 -19.145 0.523 -4.084 1.00 0.00 C ATOM 831 C ARG A 58 -19.096 1.183 -2.706 1.00 0.00 C ATOM 832 O ARG A 58 -18.527 2.242 -2.533 1.00 0.00 O ATOM 833 CB ARG A 58 -20.520 0.712 -4.724 1.00 0.00 C ATOM 834 CG ARG A 58 -20.511 1.965 -5.602 1.00 0.00 C ATOM 835 CD ARG A 58 -20.972 1.602 -7.016 1.00 0.00 C ATOM 836 NE ARG A 58 -20.001 2.274 -7.923 1.00 0.00 N ATOM 837 CZ ARG A 58 -20.428 3.087 -8.851 1.00 0.00 C ATOM 838 NH1 ARG A 58 -20.854 4.278 -8.529 1.00 0.00 N ATOM 839 NH2 ARG A 58 -20.427 2.709 -10.100 1.00 0.00 N ATOM 0 H ARG A 58 -19.825 -1.496 -4.115 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.354 0.978 -4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -20.776 -0.162 -5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.283 0.803 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -21.168 2.724 -5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -19.509 2.393 -5.633 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -20.970 0.522 -7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -21.989 1.948 -7.201 1.00 0.00 H new ATOM 0 HE ARG A 58 -19.001 2.099 -7.819 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -20.853 4.573 -7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.188 4.913 -9.254 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -20.093 1.779 -10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.761 3.344 -10.825 1.00 0.00 H new ATOM 853 N HIS A 59 -19.680 0.561 -1.720 1.00 0.00 N ATOM 854 CA HIS A 59 -19.655 1.152 -0.353 1.00 0.00 C ATOM 855 C HIS A 59 -18.206 1.311 0.115 1.00 0.00 C ATOM 856 O HIS A 59 -17.925 1.992 1.081 1.00 0.00 O ATOM 857 CB HIS A 59 -20.401 0.152 0.529 1.00 0.00 C ATOM 858 CG HIS A 59 -21.369 0.888 1.413 1.00 0.00 C ATOM 859 ND1 HIS A 59 -21.247 0.902 2.794 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.481 1.642 1.128 1.00 0.00 C ATOM 861 CE1 HIS A 59 -22.258 1.642 3.283 1.00 0.00 C ATOM 862 NE2 HIS A 59 -23.040 2.118 2.311 1.00 0.00 N ATOM 0 H HIS A 59 -20.172 -0.329 -1.801 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.115 2.139 -0.317 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.934 -0.569 -0.091 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.693 -0.412 1.137 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.864 1.836 0.137 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -22.418 1.829 4.335 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -23.869 2.704 2.413 1.00 0.00 H new ATOM 870 N GLU A 60 -17.285 0.688 -0.569 1.00 0.00 N ATOM 871 CA GLU A 60 -15.854 0.799 -0.176 1.00 0.00 C ATOM 872 C GLU A 60 -15.048 1.385 -1.337 1.00 0.00 C ATOM 873 O GLU A 60 -15.542 1.510 -2.440 1.00 0.00 O ATOM 874 CB GLU A 60 -15.422 -0.639 0.108 1.00 0.00 C ATOM 875 CG GLU A 60 -15.857 -1.032 1.522 1.00 0.00 C ATOM 876 CD GLU A 60 -14.802 -1.949 2.146 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.675 -3.072 1.687 1.00 0.00 O ATOM 878 OE2 GLU A 60 -14.141 -1.511 3.073 1.00 0.00 O ATOM 0 H GLU A 60 -17.465 0.105 -1.386 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.698 1.449 0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.867 -1.315 -0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.340 -0.731 0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.987 -0.140 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.821 -1.539 1.489 1.00 0.00 H new ATOM 885 N TYR A 61 -13.813 1.742 -1.111 1.00 0.00 N ATOM 886 CA TYR A 61 -13.004 2.313 -2.227 1.00 0.00 C ATOM 887 C TYR A 61 -11.636 1.649 -2.308 1.00 0.00 C ATOM 888 O TYR A 61 -11.309 0.754 -1.551 1.00 0.00 O ATOM 889 CB TYR A 61 -12.838 3.798 -1.913 1.00 0.00 C ATOM 890 CG TYR A 61 -11.998 3.964 -0.669 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.532 3.646 0.584 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.684 4.441 -0.769 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.756 3.802 1.737 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.908 4.596 0.385 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.443 4.278 1.638 1.00 0.00 C ATOM 896 OH TYR A 61 -9.677 4.432 2.775 1.00 0.00 O ATOM 0 H TYR A 61 -13.333 1.665 -0.214 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.498 2.149 -3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.365 4.307 -2.753 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -13.814 4.261 -1.769 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.545 3.279 0.661 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.271 4.689 -1.736 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -12.170 3.555 2.704 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.895 4.962 0.308 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.759 4.663 2.522 1.00 0.00 H new ATOM 906 N VAL A 62 -10.834 2.104 -3.226 1.00 0.00 N ATOM 907 CA VAL A 62 -9.469 1.533 -3.389 1.00 0.00 C ATOM 908 C VAL A 62 -8.445 2.440 -2.710 1.00 0.00 C ATOM 909 O VAL A 62 -7.974 3.398 -3.284 1.00 0.00 O ATOM 910 CB VAL A 62 -9.233 1.486 -4.899 1.00 0.00 C ATOM 911 CG1 VAL A 62 -7.785 1.078 -5.182 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.180 0.463 -5.528 1.00 0.00 C ATOM 0 H VAL A 62 -11.067 2.854 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.373 0.546 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.421 2.471 -5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.620 1.045 -6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.108 1.805 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.595 0.093 -4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.014 0.427 -6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.990 -0.521 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.212 0.752 -5.329 1.00 0.00 H new ATOM 922 N ASP A 63 -8.107 2.140 -1.486 1.00 0.00 N ATOM 923 CA ASP A 63 -7.111 2.979 -0.745 1.00 0.00 C ATOM 924 C ASP A 63 -5.893 3.222 -1.636 1.00 0.00 C ATOM 925 O ASP A 63 -4.941 2.469 -1.624 1.00 0.00 O ATOM 926 CB ASP A 63 -6.707 2.175 0.503 1.00 0.00 C ATOM 927 CG ASP A 63 -7.902 1.392 1.048 1.00 0.00 C ATOM 928 OD1 ASP A 63 -9.011 1.877 0.914 1.00 0.00 O ATOM 929 OD2 ASP A 63 -7.684 0.315 1.577 1.00 0.00 O ATOM 0 H ASP A 63 -8.477 1.347 -0.961 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.525 3.948 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.898 1.488 0.254 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.327 2.850 1.270 1.00 0.00 H new ATOM 934 N THR A 64 -5.926 4.261 -2.419 1.00 0.00 N ATOM 935 CA THR A 64 -4.781 4.552 -3.332 1.00 0.00 C ATOM 936 C THR A 64 -3.452 4.530 -2.571 1.00 0.00 C ATOM 937 O THR A 64 -2.405 4.300 -3.142 1.00 0.00 O ATOM 938 CB THR A 64 -5.059 5.952 -3.876 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.833 6.681 -2.933 1.00 0.00 O ATOM 940 CG2 THR A 64 -5.825 5.847 -5.196 1.00 0.00 C ATOM 0 H THR A 64 -6.698 4.926 -2.469 1.00 0.00 H new ATOM 0 HA THR A 64 -4.696 3.808 -4.124 1.00 0.00 H new ATOM 0 HB THR A 64 -4.115 6.469 -4.048 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.010 7.580 -3.281 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.022 6.847 -5.583 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.229 5.289 -5.919 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.770 5.330 -5.028 1.00 0.00 H new ATOM 948 N TYR A 65 -3.482 4.781 -1.294 1.00 0.00 N ATOM 949 CA TYR A 65 -2.213 4.787 -0.508 1.00 0.00 C ATOM 950 C TYR A 65 -1.669 3.367 -0.325 1.00 0.00 C ATOM 951 O TYR A 65 -0.499 3.112 -0.535 1.00 0.00 O ATOM 952 CB TYR A 65 -2.591 5.386 0.845 1.00 0.00 C ATOM 953 CG TYR A 65 -1.355 5.946 1.508 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.966 7.269 1.264 1.00 0.00 C ATOM 955 CD2 TYR A 65 -0.596 5.141 2.367 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.181 7.787 1.878 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.551 5.659 2.980 1.00 0.00 C ATOM 958 CZ TYR A 65 0.940 6.981 2.737 1.00 0.00 C ATOM 959 OH TYR A 65 2.070 7.491 3.342 1.00 0.00 O ATOM 0 H TYR A 65 -4.327 4.982 -0.759 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.431 5.355 -1.012 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.334 6.172 0.712 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.044 4.624 1.479 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.551 7.890 0.602 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.896 4.121 2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.481 8.807 1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.136 5.037 3.641 1.00 0.00 H new ATOM 0 HH TYR A 65 2.478 6.802 3.906 1.00 0.00 H new ATOM 969 N TYR A 66 -2.496 2.445 0.085 1.00 0.00 N ATOM 970 CA TYR A 66 -2.005 1.051 0.303 1.00 0.00 C ATOM 971 C TYR A 66 -2.129 0.208 -0.972 1.00 0.00 C ATOM 972 O TYR A 66 -1.682 -0.923 -1.020 1.00 0.00 O ATOM 973 CB TYR A 66 -2.894 0.492 1.410 1.00 0.00 C ATOM 974 CG TYR A 66 -2.360 0.939 2.749 1.00 0.00 C ATOM 975 CD1 TYR A 66 -2.697 2.201 3.251 1.00 0.00 C ATOM 976 CD2 TYR A 66 -1.522 0.094 3.486 1.00 0.00 C ATOM 977 CE1 TYR A 66 -2.197 2.618 4.492 1.00 0.00 C ATOM 978 CE2 TYR A 66 -1.022 0.511 4.725 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.359 1.773 5.228 1.00 0.00 C ATOM 980 OH TYR A 66 -0.866 2.183 6.450 1.00 0.00 O ATOM 0 H TYR A 66 -3.486 2.593 0.278 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.949 1.033 0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.919 0.839 1.280 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.917 -0.597 1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.342 2.854 2.682 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.261 -0.880 3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.458 3.591 4.880 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.376 -0.141 5.293 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.302 1.477 6.829 1.00 0.00 H new ATOM 990 N SER A 67 -2.709 0.744 -2.009 1.00 0.00 N ATOM 991 CA SER A 67 -2.827 -0.044 -3.268 1.00 0.00 C ATOM 992 C SER A 67 -1.458 -0.628 -3.624 1.00 0.00 C ATOM 993 O SER A 67 -1.350 -1.609 -4.333 1.00 0.00 O ATOM 994 CB SER A 67 -3.278 0.960 -4.327 1.00 0.00 C ATOM 995 OG SER A 67 -2.135 1.518 -4.962 1.00 0.00 O ATOM 0 H SER A 67 -3.103 1.684 -2.041 1.00 0.00 H new ATOM 0 HA SER A 67 -3.528 -0.875 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.914 0.468 -5.063 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.874 1.748 -3.867 1.00 0.00 H new ATOM 0 HG SER A 67 -2.421 2.162 -5.643 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.408 -0.024 -3.130 1.00 0.00 N ATOM 1002 CA ALA A 68 0.961 -0.529 -3.428 1.00 0.00 C ATOM 1003 C ALA A 68 1.216 -1.852 -2.700 1.00 0.00 C ATOM 1004 O ALA A 68 1.387 -2.884 -3.319 1.00 0.00 O ATOM 1005 CB ALA A 68 1.903 0.557 -2.906 1.00 0.00 C ATOM 0 H ALA A 68 -0.443 0.801 -2.531 1.00 0.00 H new ATOM 0 HA ALA A 68 1.104 -0.723 -4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.936 0.261 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.698 1.495 -3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.747 0.690 -1.836 1.00 0.00 H new ATOM 1011 N VAL A 69 1.252 -1.838 -1.393 1.00 0.00 N ATOM 1012 CA VAL A 69 1.507 -3.109 -0.653 1.00 0.00 C ATOM 1013 C VAL A 69 0.628 -4.221 -1.226 1.00 0.00 C ATOM 1014 O VAL A 69 0.963 -5.387 -1.153 1.00 0.00 O ATOM 1015 CB VAL A 69 1.152 -2.821 0.812 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.356 -2.674 0.978 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.644 -3.969 1.691 1.00 0.00 C ATOM 0 H VAL A 69 1.117 -1.011 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 69 2.542 -3.439 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 69 1.634 -1.890 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.589 -2.470 2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.711 -1.850 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.848 -3.597 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.392 -3.764 2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.167 -4.897 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.725 -4.066 1.592 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.488 -3.870 -1.806 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.380 -4.910 -2.392 1.00 0.00 C ATOM 1029 C CYS A 70 -0.717 -5.542 -3.619 1.00 0.00 C ATOM 1030 O CYS A 70 -0.399 -6.715 -3.630 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.648 -4.161 -2.800 1.00 0.00 C ATOM 1032 SG CYS A 70 -3.956 -4.494 -1.595 1.00 0.00 S ATOM 0 H CYS A 70 -0.820 -2.910 -1.899 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.590 -5.717 -1.690 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.450 -3.090 -2.852 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.965 -4.475 -3.794 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.508 -4.774 -4.653 1.00 0.00 N ATOM 1038 CA GLY A 71 0.133 -5.332 -5.878 1.00 0.00 C ATOM 1039 C GLY A 71 -0.948 -5.702 -6.895 1.00 0.00 C ATOM 1040 O GLY A 71 -1.760 -4.883 -7.277 1.00 0.00 O ATOM 0 H GLY A 71 -0.753 -3.785 -4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.818 -4.601 -6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.724 -6.211 -5.624 1.00 0.00 H new ATOM 1044 N ARG A 72 -0.967 -6.930 -7.335 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.000 -7.349 -8.326 1.00 0.00 C ATOM 1046 C ARG A 72 -3.398 -7.032 -7.789 1.00 0.00 C ATOM 1047 O ARG A 72 -4.339 -6.868 -8.539 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.814 -8.858 -8.483 1.00 0.00 C ATOM 1049 CG ARG A 72 -0.766 -9.135 -9.562 1.00 0.00 C ATOM 1050 CD ARG A 72 -1.399 -9.948 -10.694 1.00 0.00 C ATOM 1051 NE ARG A 72 -0.800 -11.307 -10.570 1.00 0.00 N ATOM 1052 CZ ARG A 72 -1.504 -12.287 -10.074 1.00 0.00 C ATOM 1053 NH1 ARG A 72 -2.704 -12.526 -10.529 1.00 0.00 N ATOM 1054 NH2 ARG A 72 -1.008 -13.030 -9.122 1.00 0.00 N ATOM 0 H ARG A 72 -0.314 -7.661 -7.052 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.897 -6.828 -9.278 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.500 -9.297 -7.536 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.761 -9.325 -8.753 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.372 -8.196 -9.951 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.075 -9.681 -9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.484 -9.984 -10.596 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.181 -9.507 -11.667 1.00 0.00 H new ATOM 0 HE ARG A 72 0.160 -11.471 -10.873 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.092 -11.946 -11.273 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.253 -13.292 -10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.070 -12.844 -8.766 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.558 -13.796 -8.734 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.538 -6.945 -6.495 1.00 0.00 N ATOM 1069 CA TYR A 73 -4.873 -6.637 -5.907 1.00 0.00 C ATOM 1070 C TYR A 73 -4.937 -5.167 -5.486 1.00 0.00 C ATOM 1071 O TYR A 73 -3.990 -4.423 -5.649 1.00 0.00 O ATOM 1072 CB TYR A 73 -4.988 -7.544 -4.682 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.202 -8.972 -5.123 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -4.213 -9.633 -5.860 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -6.390 -9.636 -4.793 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -4.411 -10.958 -6.267 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -6.588 -10.960 -5.199 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.598 -11.621 -5.937 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.793 -12.928 -6.338 1.00 0.00 O ATOM 0 H TYR A 73 -2.785 -7.074 -5.819 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.683 -6.804 -6.617 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.084 -7.472 -4.078 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.818 -7.219 -4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.297 -9.121 -6.115 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.154 -9.126 -4.225 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.648 -11.468 -6.836 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.504 -11.472 -4.943 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.668 -13.239 -6.026 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.043 -4.746 -4.941 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.164 -3.325 -4.505 1.00 0.00 C ATOM 1091 C PHE A 74 -6.527 -3.259 -3.023 1.00 0.00 C ATOM 1092 O PHE A 74 -7.452 -3.904 -2.573 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.300 -2.734 -5.338 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.034 -2.960 -6.803 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -7.110 -4.251 -7.335 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -6.721 -1.877 -7.629 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -6.874 -4.460 -8.697 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -6.483 -2.084 -8.992 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.560 -3.376 -9.527 1.00 0.00 C ATOM 0 H PHE A 74 -6.869 -5.323 -4.778 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.229 -2.782 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.247 -3.195 -5.056 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.393 -1.667 -5.137 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.351 -5.086 -6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.663 -0.881 -7.215 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.934 -5.457 -9.109 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.240 -1.248 -9.631 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.377 -3.537 -10.579 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.822 -2.471 -2.265 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.152 -2.357 -0.821 1.00 0.00 C ATOM 1111 C CYS A 75 -7.341 -1.415 -0.655 1.00 0.00 C ATOM 1112 O CYS A 75 -7.206 -0.219 -0.797 1.00 0.00 O ATOM 1113 CB CYS A 75 -4.910 -1.754 -0.163 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.329 -1.197 1.508 1.00 0.00 S ATOM 0 H CYS A 75 -5.035 -1.904 -2.581 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.414 -3.317 -0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.110 -2.494 -0.122 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.540 -0.917 -0.756 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.501 -1.933 -0.365 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.676 -1.035 -0.203 1.00 0.00 C ATOM 1121 C CYS A 76 -9.990 -0.821 1.273 1.00 0.00 C ATOM 1122 O CYS A 76 -9.458 -1.483 2.143 1.00 0.00 O ATOM 1123 CB CYS A 76 -10.835 -1.742 -0.890 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.605 -1.664 -2.684 1.00 0.00 S ATOM 0 H CYS A 76 -8.685 -2.928 -0.234 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.488 -0.052 -0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.887 -2.781 -0.563 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.779 -1.272 -0.612 1.00 0.00 H new ATOM 1129 N ARG A 77 -10.864 0.097 1.546 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.252 0.385 2.957 1.00 0.00 C ATOM 1131 C ARG A 77 -12.696 0.872 3.000 1.00 0.00 C ATOM 1132 O ARG A 77 -13.395 0.869 2.004 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.320 1.505 3.430 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.992 0.923 3.919 1.00 0.00 C ATOM 1135 CD ARG A 77 -7.893 1.978 3.787 1.00 0.00 C ATOM 1136 NE ARG A 77 -7.884 2.689 5.094 1.00 0.00 N ATOM 1137 CZ ARG A 77 -6.933 3.540 5.368 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -6.244 4.079 4.399 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -6.671 3.851 6.607 1.00 0.00 N ATOM 0 H ARG A 77 -11.335 0.671 0.846 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.171 -0.501 3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.139 2.205 2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.796 2.068 4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.083 0.605 4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.734 0.039 3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.927 1.518 3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.101 2.664 2.966 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.621 2.511 5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.449 3.835 3.430 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.500 4.744 4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.210 3.429 7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.928 4.516 6.820 1.00 0.00 H new ATOM 1153 N SER A 78 -13.145 1.304 4.143 1.00 0.00 N ATOM 1154 CA SER A 78 -14.541 1.808 4.249 1.00 0.00 C ATOM 1155 C SER A 78 -14.538 3.296 4.602 1.00 0.00 C ATOM 1156 O SER A 78 -14.715 3.676 5.742 1.00 0.00 O ATOM 1157 CB SER A 78 -15.178 0.987 5.369 1.00 0.00 C ATOM 1158 OG SER A 78 -14.263 0.883 6.452 1.00 0.00 O ATOM 0 H SER A 78 -12.606 1.330 5.009 1.00 0.00 H new ATOM 0 HA SER A 78 -15.090 1.706 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 78 -16.102 1.460 5.702 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.442 -0.006 5.004 1.00 0.00 H new ATOM 0 HG SER A 78 -13.991 1.780 6.737 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.333 4.142 3.629 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.315 5.609 3.902 1.00 0.00 C ATOM 1166 C ARG A 79 -15.444 5.983 4.866 1.00 0.00 C ATOM 1167 O ARG A 79 -16.426 5.261 4.906 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.531 6.265 2.538 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.333 7.157 2.205 1.00 0.00 C ATOM 1170 CD ARG A 79 -13.827 8.473 1.599 1.00 0.00 C ATOM 1171 NE ARG A 79 -12.590 9.186 1.175 1.00 0.00 N ATOM 1172 CZ ARG A 79 -12.182 10.235 1.835 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -12.940 11.293 1.912 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -11.014 10.225 2.418 1.00 0.00 N ATOM 1175 OXT ARG A 79 -15.306 6.986 5.547 1.00 0.00 O ATOM 0 H ARG A 79 -14.177 3.881 2.655 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.384 5.933 4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.653 5.501 1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.447 6.856 2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.752 7.355 3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.671 6.648 1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -14.490 8.294 0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.390 9.057 2.327 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.061 8.854 0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.852 11.301 1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.621 12.113 2.428 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.421 9.397 2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.695 11.045 2.934 1.00 0.00 H new