USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= 1.27 (180deg=1.21) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= 0.766 (180deg=0.204) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0.948 (180deg=0.815) USER MOD Single : A 17 SER OG : rot 57:sc= 0.536 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -78:sc= 0.0152 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -94:sc= 1.45 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.175 X(o=-0.17,f=-0.016) USER MOD Single : A 41 CYS SG : rot 180:sc= -0.515 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A 52 THR OG1 : rot 170:sc= 0.22 USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.101 (180deg=-0.43) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 1.17 (180deg=1.15) USER MOD Single : A 70 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.617) USER MOD Single : A 74 CYS SG : rot 31:sc= -0.0243 USER MOD Single : A 77 LYS NZ :NH3+ -113:sc= 0.591 (180deg=-0.0364) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.606 K(o=-0.61,f=-4!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0233 K(o=-0.023,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 33 N VAL A 3 -4.203 9.696 -2.922 1.00 0.00 N ATOM 34 CA VAL A 3 -3.625 8.363 -3.063 1.00 0.00 C ATOM 35 C VAL A 3 -2.899 8.244 -4.409 1.00 0.00 C ATOM 36 O VAL A 3 -3.513 8.291 -5.484 1.00 0.00 O ATOM 37 CB VAL A 3 -4.650 7.246 -2.764 1.00 0.00 C ATOM 38 CG1 VAL A 3 -5.901 7.254 -3.635 1.00 0.00 C ATOM 39 CG2 VAL A 3 -3.992 5.861 -2.838 1.00 0.00 C ATOM 0 HA VAL A 3 -2.862 8.216 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.988 7.463 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.553 6.431 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.429 8.199 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.617 7.138 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.735 5.093 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.586 5.704 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.187 5.801 -2.106 1.00 0.00 H new ATOM 49 N LYS A 4 -1.571 8.157 -4.334 1.00 0.00 N ATOM 50 CA LYS A 4 -0.661 8.116 -5.467 1.00 0.00 C ATOM 51 C LYS A 4 -0.081 6.725 -5.548 1.00 0.00 C ATOM 52 O LYS A 4 0.110 6.088 -4.516 1.00 0.00 O ATOM 53 CB LYS A 4 0.452 9.172 -5.289 1.00 0.00 C ATOM 54 CG LYS A 4 0.405 10.202 -6.427 1.00 0.00 C ATOM 55 CD LYS A 4 -0.829 11.098 -6.253 1.00 0.00 C ATOM 56 CE LYS A 4 -1.084 11.986 -7.467 1.00 0.00 C ATOM 57 NZ LYS A 4 -2.224 12.879 -7.201 1.00 0.00 N ATOM 0 H LYS A 4 -1.083 8.111 -3.439 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.188 8.347 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.333 9.676 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.426 8.683 -5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.311 10.807 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.366 9.694 -7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.704 10.474 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.698 11.724 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.194 12.574 -7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.289 11.370 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.394 13.482 -8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.073 12.310 -7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.012 13.477 -6.377 1.00 0.00 H new ATOM 71 N ILE A 5 0.205 6.276 -6.764 1.00 0.00 N ATOM 72 CA ILE A 5 0.814 4.995 -7.064 1.00 0.00 C ATOM 73 C ILE A 5 1.806 5.309 -8.179 1.00 0.00 C ATOM 74 O ILE A 5 1.486 6.091 -9.078 1.00 0.00 O ATOM 75 CB ILE A 5 -0.245 3.963 -7.527 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.442 3.820 -6.557 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.403 2.583 -7.758 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.673 3.189 -7.211 1.00 0.00 C ATOM 0 H ILE A 5 0.008 6.823 -7.602 1.00 0.00 H new ATOM 0 HA ILE A 5 1.293 4.547 -6.193 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.644 4.351 -8.464 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.140 3.213 -5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.708 4.804 -6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.358 1.873 -8.083 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.172 2.666 -8.526 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.853 2.233 -6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.477 3.117 -6.479 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.998 3.808 -8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.422 2.192 -7.574 1.00 0.00 H new ATOM 90 N GLU A 6 2.991 4.713 -8.132 1.00 0.00 N ATOM 91 CA GLU A 6 3.932 4.701 -9.238 1.00 0.00 C ATOM 92 C GLU A 6 4.845 3.484 -9.128 1.00 0.00 C ATOM 93 O GLU A 6 4.664 2.655 -8.231 1.00 0.00 O ATOM 94 CB GLU A 6 4.705 6.015 -9.347 1.00 0.00 C ATOM 95 CG GLU A 6 5.352 6.553 -8.071 1.00 0.00 C ATOM 96 CD GLU A 6 5.921 7.948 -8.344 1.00 0.00 C ATOM 97 OE1 GLU A 6 6.599 8.155 -9.379 1.00 0.00 O ATOM 98 OE2 GLU A 6 5.654 8.891 -7.567 1.00 0.00 O ATOM 0 H GLU A 6 3.328 4.216 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 6 3.374 4.615 -10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.488 5.885 -10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.024 6.777 -9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.617 6.598 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.145 5.882 -7.740 1.00 0.00 H new ATOM 105 N LYS A 7 5.787 3.334 -10.060 1.00 0.00 N ATOM 106 CA LYS A 7 6.663 2.175 -10.147 1.00 0.00 C ATOM 107 C LYS A 7 8.108 2.672 -10.009 1.00 0.00 C ATOM 108 O LYS A 7 8.758 2.938 -11.026 1.00 0.00 O ATOM 109 CB LYS A 7 6.404 1.305 -11.384 1.00 0.00 C ATOM 110 CG LYS A 7 5.003 1.403 -11.976 1.00 0.00 C ATOM 111 CD LYS A 7 3.895 0.798 -11.115 1.00 0.00 C ATOM 112 CE LYS A 7 2.644 1.689 -11.224 1.00 0.00 C ATOM 113 NZ LYS A 7 1.388 0.922 -11.150 1.00 0.00 N ATOM 0 H LYS A 7 5.962 4.029 -10.786 1.00 0.00 H new ATOM 0 HA LYS A 7 6.450 1.486 -9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.125 1.577 -12.155 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.596 0.265 -11.121 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.772 2.453 -12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.000 0.908 -12.947 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.668 -0.215 -11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.219 0.727 -10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.660 2.429 -10.424 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.675 2.237 -12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.593 1.573 -10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.241 0.409 -12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.442 0.242 -10.365 1.00 0.00 H new ATOM 127 N PRO A 8 8.602 2.919 -8.787 1.00 0.00 N ATOM 128 CA PRO A 8 9.885 3.579 -8.584 1.00 0.00 C ATOM 129 C PRO A 8 11.048 2.657 -8.933 1.00 0.00 C ATOM 130 O PRO A 8 10.885 1.450 -9.119 1.00 0.00 O ATOM 131 CB PRO A 8 9.910 3.974 -7.108 1.00 0.00 C ATOM 132 CG PRO A 8 9.041 2.906 -6.458 1.00 0.00 C ATOM 133 CD PRO A 8 7.965 2.636 -7.512 1.00 0.00 C ATOM 0 HA PRO A 8 9.995 4.447 -9.233 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.923 3.971 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.507 4.974 -6.950 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.613 2.007 -6.228 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.607 3.256 -5.521 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.618 1.604 -7.465 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.094 3.272 -7.357 1.00 0.00 H new ATOM 141 N THR A 9 12.248 3.223 -8.997 1.00 0.00 N ATOM 142 CA THR A 9 13.457 2.434 -9.133 1.00 0.00 C ATOM 143 C THR A 9 13.680 1.589 -7.861 1.00 0.00 C ATOM 144 O THR A 9 13.460 2.085 -6.749 1.00 0.00 O ATOM 145 CB THR A 9 14.629 3.363 -9.480 1.00 0.00 C ATOM 146 OG1 THR A 9 15.827 2.633 -9.581 1.00 0.00 O ATOM 147 CG2 THR A 9 14.825 4.477 -8.466 1.00 0.00 C ATOM 0 H THR A 9 12.405 4.230 -8.956 1.00 0.00 H new ATOM 0 HA THR A 9 13.369 1.721 -9.953 1.00 0.00 H new ATOM 0 HB THR A 9 14.376 3.818 -10.437 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.563 3.241 -9.804 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.668 5.099 -8.767 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.923 5.087 -8.417 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.025 4.045 -7.485 1.00 0.00 H new ATOM 155 N PRO A 10 14.221 0.361 -7.981 1.00 0.00 N ATOM 156 CA PRO A 10 14.673 -0.422 -6.834 1.00 0.00 C ATOM 157 C PRO A 10 15.884 0.199 -6.135 1.00 0.00 C ATOM 158 O PRO A 10 16.338 -0.348 -5.133 1.00 0.00 O ATOM 159 CB PRO A 10 15.001 -1.811 -7.385 1.00 0.00 C ATOM 160 CG PRO A 10 15.415 -1.519 -8.824 1.00 0.00 C ATOM 161 CD PRO A 10 14.483 -0.374 -9.214 1.00 0.00 C ATOM 0 HA PRO A 10 13.898 -0.460 -6.068 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.803 -2.289 -6.823 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.139 -2.477 -7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.464 -1.229 -8.893 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.281 -2.388 -9.468 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.946 0.269 -9.962 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.558 -0.753 -9.648 1.00 0.00 H new ATOM 169 N GLU A 11 16.465 1.281 -6.661 1.00 0.00 N ATOM 170 CA GLU A 11 17.637 1.937 -6.091 1.00 0.00 C ATOM 171 C GLU A 11 17.222 2.983 -5.053 1.00 0.00 C ATOM 172 O GLU A 11 17.661 2.908 -3.909 1.00 0.00 O ATOM 173 CB GLU A 11 18.481 2.545 -7.224 1.00 0.00 C ATOM 174 CG GLU A 11 18.881 1.449 -8.225 1.00 0.00 C ATOM 175 CD GLU A 11 20.174 1.745 -8.979 1.00 0.00 C ATOM 176 OE1 GLU A 11 21.241 1.755 -8.322 1.00 0.00 O ATOM 177 OE2 GLU A 11 20.121 1.829 -10.231 1.00 0.00 O ATOM 0 H GLU A 11 16.125 1.731 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 11 18.250 1.204 -5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.915 3.325 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.373 3.016 -6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.991 0.505 -7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.074 1.316 -8.945 1.00 0.00 H new ATOM 184 N LYS A 12 16.310 3.899 -5.404 1.00 0.00 N ATOM 185 CA LYS A 12 15.707 4.868 -4.476 1.00 0.00 C ATOM 186 C LYS A 12 15.192 4.155 -3.232 1.00 0.00 C ATOM 187 O LYS A 12 15.447 4.585 -2.110 1.00 0.00 O ATOM 188 CB LYS A 12 14.560 5.635 -5.173 1.00 0.00 C ATOM 189 CG LYS A 12 14.050 6.840 -4.363 1.00 0.00 C ATOM 190 CD LYS A 12 15.005 8.032 -4.499 1.00 0.00 C ATOM 191 CE LYS A 12 15.335 8.703 -3.163 1.00 0.00 C ATOM 192 NZ LYS A 12 16.582 9.486 -3.276 1.00 0.00 N ATOM 0 H LYS A 12 15.963 3.990 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 12 16.470 5.586 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.904 5.981 -6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.731 4.950 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.056 7.123 -4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.954 6.563 -3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.930 7.695 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.561 8.769 -5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.514 9.355 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.442 7.947 -2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.903 9.766 -2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.315 8.907 -3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.407 10.337 -3.847 1.00 0.00 H new ATOM 206 N LEU A 13 14.491 3.041 -3.443 1.00 0.00 N ATOM 207 CA LEU A 13 13.936 2.209 -2.388 1.00 0.00 C ATOM 208 C LEU A 13 14.997 1.756 -1.376 1.00 0.00 C ATOM 209 O LEU A 13 14.680 1.628 -0.190 1.00 0.00 O ATOM 210 CB LEU A 13 13.272 0.988 -3.028 1.00 0.00 C ATOM 211 CG LEU A 13 11.886 1.287 -3.639 1.00 0.00 C ATOM 212 CD1 LEU A 13 11.463 0.153 -4.569 1.00 0.00 C ATOM 213 CD2 LEU A 13 10.812 1.472 -2.562 1.00 0.00 C ATOM 0 H LEU A 13 14.291 2.687 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 13 13.207 2.803 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.926 0.596 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.167 0.206 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 13 11.978 2.218 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.484 0.376 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.192 0.051 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.410 -0.779 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.853 1.680 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.732 0.562 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.085 2.305 -1.915 1.00 0.00 H new ATOM 225 N LYS A 14 16.245 1.527 -1.805 1.00 0.00 N ATOM 226 CA LYS A 14 17.329 1.176 -0.892 1.00 0.00 C ATOM 227 C LYS A 14 17.574 2.339 0.056 1.00 0.00 C ATOM 228 O LYS A 14 17.507 2.142 1.269 1.00 0.00 O ATOM 229 CB LYS A 14 18.617 0.786 -1.618 1.00 0.00 C ATOM 230 CG LYS A 14 18.347 -0.222 -2.729 1.00 0.00 C ATOM 231 CD LYS A 14 19.601 -1.020 -3.057 1.00 0.00 C ATOM 232 CE LYS A 14 19.342 -2.103 -4.101 1.00 0.00 C ATOM 233 NZ LYS A 14 18.985 -1.513 -5.403 1.00 0.00 N ATOM 0 H LYS A 14 16.525 1.580 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 14 17.022 0.293 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 14 19.083 1.677 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.324 0.363 -0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 14 17.550 -0.900 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 14 17.999 0.299 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 14 20.374 -0.344 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.984 -1.480 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.230 -2.725 -4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.537 -2.755 -3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.980 -2.256 -6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.040 -1.082 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.682 -0.784 -5.657 1.00 0.00 H new ATOM 247 N GLU A 15 17.749 3.540 -0.505 1.00 0.00 N ATOM 248 CA GLU A 15 18.145 4.757 0.215 1.00 0.00 C ATOM 249 C GLU A 15 17.146 5.049 1.322 1.00 0.00 C ATOM 250 O GLU A 15 17.482 5.290 2.483 1.00 0.00 O ATOM 251 CB GLU A 15 18.143 6.001 -0.693 1.00 0.00 C ATOM 252 CG GLU A 15 18.866 5.885 -2.026 1.00 0.00 C ATOM 253 CD GLU A 15 18.825 7.229 -2.762 1.00 0.00 C ATOM 254 OE1 GLU A 15 19.263 8.262 -2.203 1.00 0.00 O ATOM 255 OE2 GLU A 15 18.231 7.297 -3.862 1.00 0.00 O ATOM 0 H GLU A 15 17.615 3.698 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 15 19.150 4.572 0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.106 6.273 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.588 6.827 -0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.900 5.581 -1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.399 5.112 -2.636 1.00 0.00 H new ATOM 262 N LEU A 16 15.878 5.011 0.915 1.00 0.00 N ATOM 263 CA LEU A 16 14.705 5.251 1.738 1.00 0.00 C ATOM 264 C LEU A 16 14.652 4.314 2.952 1.00 0.00 C ATOM 265 O LEU A 16 13.919 4.597 3.900 1.00 0.00 O ATOM 266 CB LEU A 16 13.459 5.105 0.855 1.00 0.00 C ATOM 267 CG LEU A 16 13.292 6.190 -0.226 1.00 0.00 C ATOM 268 CD1 LEU A 16 12.114 5.817 -1.131 1.00 0.00 C ATOM 269 CD2 LEU A 16 13.068 7.588 0.346 1.00 0.00 C ATOM 0 H LEU A 16 15.634 4.800 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 16 14.751 6.261 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.491 4.131 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.577 5.113 1.495 1.00 0.00 H new ATOM 0 HG LEU A 16 14.226 6.227 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.989 6.580 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.309 4.855 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.204 5.750 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.959 8.302 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.164 7.591 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.922 7.870 0.963 1.00 0.00 H new ATOM 281 N SER A 17 15.493 3.274 2.982 1.00 0.00 N ATOM 282 CA SER A 17 15.676 2.340 4.082 1.00 0.00 C ATOM 283 C SER A 17 14.387 1.569 4.368 1.00 0.00 C ATOM 284 O SER A 17 14.111 1.188 5.504 1.00 0.00 O ATOM 285 CB SER A 17 16.280 3.058 5.288 1.00 0.00 C ATOM 286 OG SER A 17 17.494 3.711 4.936 1.00 0.00 O ATOM 0 H SER A 17 16.096 3.055 2.189 1.00 0.00 H new ATOM 0 HA SER A 17 16.399 1.573 3.804 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.569 3.788 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.467 2.341 6.087 1.00 0.00 H new ATOM 0 HG SER A 17 17.330 4.329 4.194 1.00 0.00 H new ATOM 292 N VAL A 18 13.619 1.321 3.307 1.00 0.00 N ATOM 293 CA VAL A 18 12.395 0.544 3.287 1.00 0.00 C ATOM 294 C VAL A 18 12.610 -0.806 3.955 1.00 0.00 C ATOM 295 O VAL A 18 11.761 -1.226 4.728 1.00 0.00 O ATOM 296 CB VAL A 18 11.905 0.418 1.832 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.608 -0.385 1.717 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.666 1.802 1.217 1.00 0.00 C ATOM 0 H VAL A 18 13.857 1.684 2.384 1.00 0.00 H new ATOM 0 HA VAL A 18 11.617 1.049 3.860 1.00 0.00 H new ATOM 0 HB VAL A 18 12.693 -0.110 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.307 -0.443 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.767 -1.391 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.824 0.106 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.321 1.689 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.911 2.333 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.596 2.370 1.226 1.00 0.00 H new ATOM 308 N GLU A 19 13.756 -1.458 3.745 1.00 0.00 N ATOM 309 CA GLU A 19 14.058 -2.735 4.384 1.00 0.00 C ATOM 310 C GLU A 19 14.014 -2.680 5.917 1.00 0.00 C ATOM 311 O GLU A 19 13.911 -3.732 6.550 1.00 0.00 O ATOM 312 CB GLU A 19 15.436 -3.223 3.927 1.00 0.00 C ATOM 313 CG GLU A 19 16.560 -2.247 4.302 1.00 0.00 C ATOM 314 CD GLU A 19 17.919 -2.914 4.160 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.419 -3.014 3.011 1.00 0.00 O ATOM 316 OE2 GLU A 19 18.461 -3.348 5.203 1.00 0.00 O ATOM 0 H GLU A 19 14.495 -1.116 3.131 1.00 0.00 H new ATOM 0 HA GLU A 19 13.278 -3.431 4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.640 -4.196 4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.428 -3.364 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.513 -1.366 3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.423 -1.903 5.327 1.00 0.00 H new ATOM 323 N LYS A 20 14.108 -1.494 6.530 1.00 0.00 N ATOM 324 CA LYS A 20 14.077 -1.312 7.976 1.00 0.00 C ATOM 325 C LYS A 20 12.663 -1.056 8.478 1.00 0.00 C ATOM 326 O LYS A 20 12.390 -1.342 9.644 1.00 0.00 O ATOM 327 CB LYS A 20 14.969 -0.130 8.395 1.00 0.00 C ATOM 328 CG LYS A 20 16.365 -0.156 7.757 1.00 0.00 C ATOM 329 CD LYS A 20 17.333 0.853 8.395 1.00 0.00 C ATOM 330 CE LYS A 20 18.547 0.174 9.029 1.00 0.00 C ATOM 331 NZ LYS A 20 18.194 -0.646 10.209 1.00 0.00 N ATOM 0 H LYS A 20 14.210 -0.618 6.018 1.00 0.00 H new ATOM 0 HA LYS A 20 14.450 -2.235 8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.473 0.802 8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.075 -0.132 9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.782 -1.159 7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.276 0.057 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.670 1.559 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.805 1.429 9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.034 -0.458 8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.270 0.934 9.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.054 -1.082 10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.754 -0.042 10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.525 -1.391 9.927 1.00 0.00 H new ATOM 345 N TRP A 21 11.787 -0.525 7.623 1.00 0.00 N ATOM 346 CA TRP A 21 10.436 -0.115 7.981 1.00 0.00 C ATOM 347 C TRP A 21 9.647 -1.338 8.503 1.00 0.00 C ATOM 348 O TRP A 21 10.009 -2.476 8.175 1.00 0.00 O ATOM 349 CB TRP A 21 9.774 0.505 6.743 1.00 0.00 C ATOM 350 CG TRP A 21 10.365 1.748 6.153 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.453 2.420 6.590 1.00 0.00 C ATOM 352 CD2 TRP A 21 9.887 2.475 4.983 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.677 3.505 5.774 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.734 3.598 4.771 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.825 2.290 4.071 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.516 4.510 3.727 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.579 3.213 3.039 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.415 4.331 2.871 1.00 0.00 C ATOM 0 H TRP A 21 12.007 -0.366 6.640 1.00 0.00 H new ATOM 0 HA TRP A 21 10.452 0.629 8.777 1.00 0.00 H new ATOM 0 HB2 TRP A 21 9.758 -0.255 5.962 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.737 0.722 6.998 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.053 2.148 7.446 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.448 4.162 5.896 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.189 1.422 4.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.188 5.343 3.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.743 3.062 2.372 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.213 5.048 2.089 1.00 0.00 H new ATOM 369 N PRO A 22 8.569 -1.164 9.289 1.00 0.00 N ATOM 370 CA PRO A 22 7.847 -2.290 9.874 1.00 0.00 C ATOM 371 C PRO A 22 7.124 -3.099 8.809 1.00 0.00 C ATOM 372 O PRO A 22 6.253 -2.582 8.109 1.00 0.00 O ATOM 373 CB PRO A 22 6.870 -1.685 10.876 1.00 0.00 C ATOM 374 CG PRO A 22 6.656 -0.260 10.364 1.00 0.00 C ATOM 375 CD PRO A 22 8.003 0.098 9.745 1.00 0.00 C ATOM 0 HA PRO A 22 8.529 -2.987 10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.934 -2.243 10.909 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.279 -1.690 11.886 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.851 -0.213 9.630 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.391 0.422 11.172 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.881 0.796 8.916 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.654 0.580 10.474 1.00 0.00 H new ATOM 383 N ILE A 23 7.479 -4.371 8.663 1.00 0.00 N ATOM 384 CA ILE A 23 6.760 -5.249 7.741 1.00 0.00 C ATOM 385 C ILE A 23 5.322 -5.340 8.229 1.00 0.00 C ATOM 386 O ILE A 23 5.075 -5.368 9.438 1.00 0.00 O ATOM 387 CB ILE A 23 7.453 -6.630 7.596 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.701 -6.424 6.713 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.531 -7.720 6.993 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.494 -7.696 6.406 1.00 0.00 C ATOM 0 H ILE A 23 8.249 -4.815 9.163 1.00 0.00 H new ATOM 0 HA ILE A 23 6.768 -4.838 6.731 1.00 0.00 H new ATOM 0 HB ILE A 23 7.719 -6.996 8.588 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.390 -5.972 5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.363 -5.712 7.206 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.078 -8.660 6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.661 -7.856 7.635 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.205 -7.412 6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.351 -7.448 5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.842 -8.142 7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.855 -8.406 5.881 1.00 0.00 H new ATOM 402 N TRP A 24 4.387 -5.426 7.285 1.00 0.00 N ATOM 403 CA TRP A 24 3.032 -5.822 7.579 1.00 0.00 C ATOM 404 C TRP A 24 2.617 -6.880 6.558 1.00 0.00 C ATOM 405 O TRP A 24 2.928 -6.775 5.363 1.00 0.00 O ATOM 406 CB TRP A 24 2.135 -4.586 7.624 1.00 0.00 C ATOM 407 CG TRP A 24 0.702 -4.846 7.957 1.00 0.00 C ATOM 408 CD1 TRP A 24 0.152 -4.885 9.191 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.369 -5.166 7.034 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.201 -5.151 9.080 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.587 -5.275 7.762 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.410 -5.411 5.651 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.813 -5.510 7.123 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.631 -5.618 4.996 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.824 -5.627 5.724 1.00 0.00 C ATOM 0 H TRP A 24 4.557 -5.221 6.300 1.00 0.00 H new ATOM 0 HA TRP A 24 2.937 -6.279 8.564 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.541 -3.890 8.358 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.181 -4.089 6.655 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.685 -4.732 10.118 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.834 -5.244 9.874 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.510 -5.440 5.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.726 -5.599 7.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.650 -5.771 3.927 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.766 -5.725 5.204 1.00 0.00 H new ATOM 426 N GLU A 25 1.930 -7.898 7.059 1.00 0.00 N ATOM 427 CA GLU A 25 1.443 -9.086 6.372 1.00 0.00 C ATOM 428 C GLU A 25 0.013 -9.357 6.823 1.00 0.00 C ATOM 429 O GLU A 25 -0.407 -8.919 7.900 1.00 0.00 O ATOM 430 CB GLU A 25 2.312 -10.318 6.670 1.00 0.00 C ATOM 431 CG GLU A 25 2.783 -10.408 8.127 1.00 0.00 C ATOM 432 CD GLU A 25 2.726 -11.786 8.791 1.00 0.00 C ATOM 433 OE1 GLU A 25 2.818 -12.824 8.094 1.00 0.00 O ATOM 434 OE2 GLU A 25 2.588 -11.789 10.042 1.00 0.00 O ATOM 0 H GLU A 25 1.677 -7.914 8.047 1.00 0.00 H new ATOM 0 HA GLU A 25 1.486 -8.903 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.747 -11.217 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.184 -10.302 6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.812 -10.052 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.181 -9.720 8.721 1.00 0.00 H new ATOM 441 N LYS A 26 -0.755 -10.080 6.007 1.00 0.00 N ATOM 442 CA LYS A 26 -2.150 -10.345 6.308 1.00 0.00 C ATOM 443 C LYS A 26 -2.588 -11.633 5.638 1.00 0.00 C ATOM 444 O LYS A 26 -1.920 -12.134 4.726 1.00 0.00 O ATOM 445 CB LYS A 26 -2.959 -9.138 5.816 1.00 0.00 C ATOM 446 CG LYS A 26 -4.395 -8.964 6.329 1.00 0.00 C ATOM 447 CD LYS A 26 -4.496 -8.970 7.858 1.00 0.00 C ATOM 448 CE LYS A 26 -5.864 -8.674 8.482 1.00 0.00 C ATOM 449 NZ LYS A 26 -5.977 -9.216 9.858 1.00 0.00 N ATOM 0 H LYS A 26 -0.428 -10.490 5.132 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.310 -10.477 7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.402 -8.237 6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.999 -9.186 4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.798 -8.026 5.949 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.017 -9.764 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.170 -9.948 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.786 -8.239 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.027 -7.597 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.648 -9.104 7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.917 -8.994 10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.847 -10.248 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.246 -8.787 10.461 1.00 0.00 H new ATOM 463 N GLU A 27 -3.743 -12.128 6.059 1.00 0.00 N ATOM 464 CA GLU A 27 -4.452 -13.195 5.382 1.00 0.00 C ATOM 465 C GLU A 27 -4.994 -12.716 4.047 1.00 0.00 C ATOM 466 O GLU A 27 -4.940 -11.534 3.701 1.00 0.00 O ATOM 467 CB GLU A 27 -5.589 -13.725 6.261 1.00 0.00 C ATOM 468 CG GLU A 27 -5.415 -15.144 6.812 1.00 0.00 C ATOM 469 CD GLU A 27 -3.983 -15.468 7.229 1.00 0.00 C ATOM 470 OE1 GLU A 27 -3.366 -14.669 7.967 1.00 0.00 O ATOM 471 OE2 GLU A 27 -3.443 -16.460 6.688 1.00 0.00 O ATOM 0 H GLU A 27 -4.219 -11.791 6.896 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.750 -14.008 5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.717 -13.044 7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.512 -13.693 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.073 -15.274 7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.735 -15.860 6.055 1.00 0.00 H new ATOM 478 N VAL A 28 -5.565 -13.676 3.337 1.00 0.00 N ATOM 479 CA VAL A 28 -6.238 -13.484 2.062 1.00 0.00 C ATOM 480 C VAL A 28 -7.676 -12.961 2.227 1.00 0.00 C ATOM 481 O VAL A 28 -8.314 -12.623 1.232 1.00 0.00 O ATOM 482 CB VAL A 28 -6.110 -14.799 1.259 1.00 0.00 C ATOM 483 CG1 VAL A 28 -6.882 -15.965 1.900 1.00 0.00 C ATOM 484 CG2 VAL A 28 -6.528 -14.641 -0.208 1.00 0.00 C ATOM 0 H VAL A 28 -5.573 -14.648 3.645 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.758 -12.691 1.489 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.048 -15.041 1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.756 -16.862 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.497 -16.148 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.941 -15.712 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.417 -15.595 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.569 -14.320 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.895 -13.895 -0.688 1.00 0.00 H new ATOM 494 N SER A 29 -8.195 -12.877 3.458 1.00 0.00 N ATOM 495 CA SER A 29 -9.507 -12.284 3.650 1.00 0.00 C ATOM 496 C SER A 29 -9.418 -10.787 3.489 1.00 0.00 C ATOM 497 O SER A 29 -8.444 -10.132 3.860 1.00 0.00 O ATOM 498 CB SER A 29 -10.102 -12.530 5.026 1.00 0.00 C ATOM 499 OG SER A 29 -11.493 -12.256 5.105 1.00 0.00 O ATOM 0 H SER A 29 -7.736 -13.204 4.308 1.00 0.00 H new ATOM 0 HA SER A 29 -10.146 -12.757 2.904 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.929 -13.569 5.306 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.577 -11.912 5.755 1.00 0.00 H new ATOM 0 HG SER A 29 -11.633 -11.288 5.165 1.00 0.00 H new ATOM 505 N GLU A 30 -10.562 -10.295 3.072 1.00 0.00 N ATOM 506 CA GLU A 30 -10.925 -8.928 2.828 1.00 0.00 C ATOM 507 C GLU A 30 -11.364 -8.267 4.129 1.00 0.00 C ATOM 508 O GLU A 30 -11.642 -8.954 5.120 1.00 0.00 O ATOM 509 CB GLU A 30 -12.093 -8.908 1.828 1.00 0.00 C ATOM 510 CG GLU A 30 -11.909 -9.810 0.598 1.00 0.00 C ATOM 511 CD GLU A 30 -12.600 -11.175 0.738 1.00 0.00 C ATOM 512 OE1 GLU A 30 -12.423 -11.871 1.769 1.00 0.00 O ATOM 513 OE2 GLU A 30 -13.373 -11.504 -0.189 1.00 0.00 O ATOM 0 H GLU A 30 -11.345 -10.919 2.875 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.070 -8.384 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.002 -9.209 2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.244 -7.883 1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.303 -9.299 -0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.844 -9.965 0.426 1.00 0.00 H new ATOM 520 N PHE A 31 -11.488 -6.942 4.068 1.00 0.00 N ATOM 521 CA PHE A 31 -11.955 -6.039 5.107 1.00 0.00 C ATOM 522 C PHE A 31 -12.164 -4.664 4.453 1.00 0.00 C ATOM 523 O PHE A 31 -12.324 -4.563 3.231 1.00 0.00 O ATOM 524 CB PHE A 31 -10.987 -6.043 6.303 1.00 0.00 C ATOM 525 CG PHE A 31 -9.511 -6.012 5.978 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.892 -4.813 5.585 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.746 -7.184 6.117 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.512 -4.769 5.343 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.357 -7.137 5.932 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.750 -5.933 5.533 1.00 0.00 C ATOM 0 H PHE A 31 -11.243 -6.435 3.218 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.908 -6.356 5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.216 -5.181 6.930 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.186 -6.933 6.900 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.485 -3.918 5.468 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.227 -8.118 6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.042 -3.854 5.015 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.757 -8.020 6.095 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.683 -5.903 5.370 1.00 0.00 H new ATOM 540 N ASP A 32 -12.277 -3.595 5.232 1.00 0.00 N ATOM 541 CA ASP A 32 -12.022 -2.223 4.809 1.00 0.00 C ATOM 542 C ASP A 32 -10.937 -1.657 5.734 1.00 0.00 C ATOM 543 O ASP A 32 -10.638 -2.254 6.770 1.00 0.00 O ATOM 544 CB ASP A 32 -13.302 -1.392 4.866 1.00 0.00 C ATOM 545 CG ASP A 32 -13.575 -0.799 6.248 1.00 0.00 C ATOM 546 OD1 ASP A 32 -13.887 -1.582 7.176 1.00 0.00 O ATOM 547 OD2 ASP A 32 -13.513 0.442 6.367 1.00 0.00 O ATOM 0 H ASP A 32 -12.559 -3.662 6.210 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.682 -2.192 3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.235 -0.584 4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.146 -2.016 4.573 1.00 0.00 H new ATOM 552 N TRP A 33 -10.307 -0.548 5.355 1.00 0.00 N ATOM 553 CA TRP A 33 -9.159 0.016 6.061 1.00 0.00 C ATOM 554 C TRP A 33 -9.342 1.536 6.223 1.00 0.00 C ATOM 555 O TRP A 33 -10.240 2.139 5.616 1.00 0.00 O ATOM 556 CB TRP A 33 -7.895 -0.385 5.284 1.00 0.00 C ATOM 557 CG TRP A 33 -6.583 -0.172 5.967 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.777 0.899 5.823 1.00 0.00 C ATOM 559 CD2 TRP A 33 -5.903 -1.042 6.915 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.644 0.747 6.595 1.00 0.00 N ATOM 561 CE2 TRP A 33 -4.666 -0.440 7.290 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.223 -2.278 7.506 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -3.775 -1.052 8.185 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -5.341 -2.896 8.408 1.00 0.00 C ATOM 565 CH2 TRP A 33 -4.118 -2.292 8.749 1.00 0.00 C ATOM 0 H TRP A 33 -10.584 -0.007 4.536 1.00 0.00 H new ATOM 0 HA TRP A 33 -9.065 -0.374 7.074 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.976 -1.441 5.027 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.883 0.171 4.346 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.988 1.752 5.195 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.886 1.428 6.644 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.159 -2.758 7.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.839 -0.576 8.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -5.606 -3.847 8.845 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.446 -2.779 9.441 1.00 0.00 H new ATOM 576 N TYR A 34 -8.498 2.169 7.040 1.00 0.00 N ATOM 577 CA TYR A 34 -8.455 3.615 7.254 1.00 0.00 C ATOM 578 C TYR A 34 -6.988 4.048 7.239 1.00 0.00 C ATOM 579 O TYR A 34 -6.116 3.246 7.581 1.00 0.00 O ATOM 580 CB TYR A 34 -9.126 3.988 8.594 1.00 0.00 C ATOM 581 CG TYR A 34 -9.637 5.420 8.631 1.00 0.00 C ATOM 582 CD1 TYR A 34 -8.761 6.502 8.850 1.00 0.00 C ATOM 583 CD2 TYR A 34 -10.993 5.677 8.365 1.00 0.00 C ATOM 584 CE1 TYR A 34 -9.199 7.825 8.646 1.00 0.00 C ATOM 585 CE2 TYR A 34 -11.446 6.996 8.197 1.00 0.00 C ATOM 586 CZ TYR A 34 -10.538 8.069 8.268 1.00 0.00 C ATOM 587 OH TYR A 34 -10.973 9.321 7.964 1.00 0.00 O ATOM 0 H TYR A 34 -7.800 1.669 7.591 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.004 4.130 6.465 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.957 3.308 8.778 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.411 3.843 9.404 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.748 6.316 9.176 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.690 4.856 8.289 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.514 8.649 8.778 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.493 7.187 8.013 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.923 9.288 7.726 1.00 0.00 H new ATOM 597 N TYR A 35 -6.710 5.300 6.884 1.00 0.00 N ATOM 598 CA TYR A 35 -5.400 5.926 6.998 1.00 0.00 C ATOM 599 C TYR A 35 -5.628 7.306 7.606 1.00 0.00 C ATOM 600 O TYR A 35 -6.345 8.094 6.992 1.00 0.00 O ATOM 601 CB TYR A 35 -4.740 6.066 5.611 1.00 0.00 C ATOM 602 CG TYR A 35 -4.667 4.800 4.776 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.586 3.917 4.938 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.671 4.513 3.830 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.503 2.747 4.166 1.00 0.00 C ATOM 606 CE2 TYR A 35 -5.596 3.345 3.052 1.00 0.00 C ATOM 607 CZ TYR A 35 -4.513 2.455 3.223 1.00 0.00 C ATOM 608 OH TYR A 35 -4.486 1.281 2.539 1.00 0.00 O ATOM 0 H TYR A 35 -7.416 5.926 6.496 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.736 5.322 7.616 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.288 6.819 5.045 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.727 6.445 5.749 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.815 4.139 5.660 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.501 5.193 3.702 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.669 2.072 4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.365 3.129 2.325 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.038 1.414 1.678 1.00 0.00 H new ATOM 618 N ASP A 36 -5.049 7.627 8.768 1.00 0.00 N ATOM 619 CA ASP A 36 -5.018 9.003 9.299 1.00 0.00 C ATOM 620 C ASP A 36 -3.593 9.472 9.575 1.00 0.00 C ATOM 621 O ASP A 36 -3.350 10.319 10.434 1.00 0.00 O ATOM 622 CB ASP A 36 -5.920 9.216 10.521 1.00 0.00 C ATOM 623 CG ASP A 36 -6.216 10.708 10.766 1.00 0.00 C ATOM 624 OD1 ASP A 36 -6.184 11.522 9.813 1.00 0.00 O ATOM 625 OD2 ASP A 36 -6.492 11.059 11.937 1.00 0.00 O ATOM 0 H ASP A 36 -4.588 6.944 9.370 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.434 9.626 8.508 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.858 8.679 10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.441 8.792 11.403 1.00 0.00 H new ATOM 630 N THR A 37 -2.623 8.924 8.846 1.00 0.00 N ATOM 631 CA THR A 37 -1.373 9.604 8.544 1.00 0.00 C ATOM 632 C THR A 37 -0.881 9.136 7.183 1.00 0.00 C ATOM 633 O THR A 37 -1.500 8.271 6.562 1.00 0.00 O ATOM 634 CB THR A 37 -0.337 9.511 9.687 1.00 0.00 C ATOM 635 OG1 THR A 37 -0.697 8.582 10.694 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.207 10.909 10.306 1.00 0.00 C ATOM 0 H THR A 37 -2.687 7.988 8.447 1.00 0.00 H new ATOM 0 HA THR A 37 -1.546 10.678 8.477 1.00 0.00 H new ATOM 0 HB THR A 37 0.605 9.157 9.267 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.004 8.566 11.387 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.519 10.881 11.119 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.128 11.614 9.545 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.175 11.226 10.694 1.00 0.00 H new ATOM 644 N ASN A 38 0.168 9.786 6.688 1.00 0.00 N ATOM 645 CA ASN A 38 0.677 9.625 5.338 1.00 0.00 C ATOM 646 C ASN A 38 1.298 8.247 5.278 1.00 0.00 C ATOM 647 O ASN A 38 2.335 8.033 5.897 1.00 0.00 O ATOM 648 CB ASN A 38 1.723 10.708 5.045 1.00 0.00 C ATOM 649 CG ASN A 38 1.210 12.111 5.304 1.00 0.00 C ATOM 650 OD1 ASN A 38 0.559 12.714 4.452 1.00 0.00 O ATOM 651 ND2 ASN A 38 1.444 12.634 6.495 1.00 0.00 N ATOM 0 H ASN A 38 0.702 10.460 7.237 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.113 9.725 4.594 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.605 10.530 5.660 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.039 10.629 4.005 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.082 13.559 6.726 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.987 12.113 7.183 1.00 0.00 H new ATOM 658 N GLU A 39 0.664 7.298 4.600 1.00 0.00 N ATOM 659 CA GLU A 39 1.120 5.920 4.602 1.00 0.00 C ATOM 660 C GLU A 39 1.722 5.636 3.237 1.00 0.00 C ATOM 661 O GLU A 39 1.006 5.372 2.269 1.00 0.00 O ATOM 662 CB GLU A 39 -0.002 4.954 5.023 1.00 0.00 C ATOM 663 CG GLU A 39 0.600 3.573 5.325 1.00 0.00 C ATOM 664 CD GLU A 39 -0.392 2.581 5.940 1.00 0.00 C ATOM 665 OE1 GLU A 39 -1.055 2.913 6.952 1.00 0.00 O ATOM 666 OE2 GLU A 39 -0.452 1.435 5.434 1.00 0.00 O ATOM 0 H GLU A 39 -0.172 7.463 4.040 1.00 0.00 H new ATOM 0 HA GLU A 39 1.894 5.759 5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.517 5.339 5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.745 4.874 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.995 3.150 4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.443 3.696 6.005 1.00 0.00 H new ATOM 673 N THR A 40 3.048 5.701 3.143 1.00 0.00 N ATOM 674 CA THR A 40 3.762 5.086 2.034 1.00 0.00 C ATOM 675 C THR A 40 3.638 3.567 2.184 1.00 0.00 C ATOM 676 O THR A 40 3.609 3.062 3.311 1.00 0.00 O ATOM 677 CB THR A 40 5.233 5.539 2.039 1.00 0.00 C ATOM 678 OG1 THR A 40 5.294 6.948 1.932 1.00 0.00 O ATOM 679 CG2 THR A 40 6.043 4.991 0.861 1.00 0.00 C ATOM 0 H THR A 40 3.646 6.173 3.821 1.00 0.00 H new ATOM 0 HA THR A 40 3.337 5.391 1.078 1.00 0.00 H new ATOM 0 HB THR A 40 5.654 5.161 2.971 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.231 7.236 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.070 5.350 0.927 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.037 3.901 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.600 5.331 -0.075 1.00 0.00 H new ATOM 687 N CYS A 41 3.604 2.815 1.083 1.00 0.00 N ATOM 688 CA CYS A 41 4.038 1.429 1.114 1.00 0.00 C ATOM 689 C CYS A 41 4.682 1.015 -0.203 1.00 0.00 C ATOM 690 O CYS A 41 4.437 1.636 -1.235 1.00 0.00 O ATOM 691 CB CYS A 41 2.879 0.503 1.507 1.00 0.00 C ATOM 692 SG CYS A 41 1.479 0.619 0.360 1.00 0.00 S ATOM 0 H CYS A 41 3.284 3.143 0.172 1.00 0.00 H new ATOM 0 HA CYS A 41 4.807 1.333 1.881 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.235 -0.527 1.538 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.542 0.754 2.513 1.00 0.00 H new ATOM 0 HG CYS A 41 0.535 -0.187 0.745 1.00 0.00 H new ATOM 698 N TYR A 42 5.477 -0.053 -0.158 1.00 0.00 N ATOM 699 CA TYR A 42 6.148 -0.677 -1.287 1.00 0.00 C ATOM 700 C TYR A 42 5.781 -2.154 -1.290 1.00 0.00 C ATOM 701 O TYR A 42 5.930 -2.828 -0.262 1.00 0.00 O ATOM 702 CB TYR A 42 7.663 -0.507 -1.149 1.00 0.00 C ATOM 703 CG TYR A 42 8.453 -1.354 -2.127 1.00 0.00 C ATOM 704 CD1 TYR A 42 8.197 -1.265 -3.510 1.00 0.00 C ATOM 705 CD2 TYR A 42 9.423 -2.256 -1.651 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.918 -2.063 -4.413 1.00 0.00 C ATOM 707 CE2 TYR A 42 10.200 -2.998 -2.556 1.00 0.00 C ATOM 708 CZ TYR A 42 9.943 -2.912 -3.942 1.00 0.00 C ATOM 709 OH TYR A 42 10.695 -3.622 -4.825 1.00 0.00 O ATOM 0 H TYR A 42 5.679 -0.530 0.721 1.00 0.00 H new ATOM 0 HA TYR A 42 5.837 -0.212 -2.222 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.919 0.542 -1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.960 -0.766 -0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.445 -0.582 -3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.570 -2.378 -0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.688 -2.027 -5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.993 -3.634 -2.192 1.00 0.00 H new ATOM 0 HH TYR A 42 11.356 -4.155 -4.337 1.00 0.00 H new ATOM 719 N ILE A 43 5.269 -2.644 -2.420 1.00 0.00 N ATOM 720 CA ILE A 43 4.662 -3.960 -2.514 1.00 0.00 C ATOM 721 C ILE A 43 5.656 -4.932 -3.149 1.00 0.00 C ATOM 722 O ILE A 43 5.969 -4.828 -4.340 1.00 0.00 O ATOM 723 CB ILE A 43 3.331 -3.920 -3.291 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.430 -2.672 -3.094 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.586 -5.218 -2.933 1.00 0.00 C ATOM 726 CD1 ILE A 43 2.130 -2.265 -1.649 1.00 0.00 C ATOM 0 H ILE A 43 5.267 -2.129 -3.300 1.00 0.00 H new ATOM 0 HA ILE A 43 4.421 -4.308 -1.510 1.00 0.00 H new ATOM 0 HB ILE A 43 3.578 -3.840 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.903 -1.827 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.482 -2.853 -3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.631 -5.245 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.188 -6.077 -3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.411 -5.252 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.492 -1.381 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.620 -3.082 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.064 -2.041 -1.133 1.00 0.00 H new ATOM 738 N LEU A 44 6.136 -5.888 -2.352 1.00 0.00 N ATOM 739 CA LEU A 44 7.105 -6.895 -2.778 1.00 0.00 C ATOM 740 C LEU A 44 6.422 -8.168 -3.259 1.00 0.00 C ATOM 741 O LEU A 44 6.973 -8.865 -4.111 1.00 0.00 O ATOM 742 CB LEU A 44 8.053 -7.228 -1.621 1.00 0.00 C ATOM 743 CG LEU A 44 8.798 -5.978 -1.112 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.297 -5.539 0.265 1.00 0.00 C ATOM 745 CD2 LEU A 44 10.306 -6.211 -1.063 1.00 0.00 C ATOM 0 H LEU A 44 5.856 -5.985 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 44 7.669 -6.479 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.486 -7.671 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.777 -7.974 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 44 8.589 -5.179 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.847 -4.655 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.234 -5.304 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.452 -6.345 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.802 -5.311 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.524 -7.041 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.670 -6.448 -2.063 1.00 0.00 H new ATOM 757 N GLU A 45 5.244 -8.484 -2.721 1.00 0.00 N ATOM 758 CA GLU A 45 4.514 -9.695 -3.046 1.00 0.00 C ATOM 759 C GLU A 45 3.040 -9.504 -2.681 1.00 0.00 C ATOM 760 O GLU A 45 2.688 -8.605 -1.907 1.00 0.00 O ATOM 761 CB GLU A 45 5.154 -10.887 -2.305 1.00 0.00 C ATOM 762 CG GLU A 45 5.155 -10.699 -0.778 1.00 0.00 C ATOM 763 CD GLU A 45 6.227 -11.548 -0.097 1.00 0.00 C ATOM 764 OE1 GLU A 45 7.433 -11.212 -0.217 1.00 0.00 O ATOM 765 OE2 GLU A 45 5.840 -12.481 0.642 1.00 0.00 O ATOM 0 H GLU A 45 4.769 -7.893 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 45 4.565 -9.907 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.613 -11.799 -2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.179 -11.019 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.321 -9.648 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.176 -10.964 -0.380 1.00 0.00 H new ATOM 772 N GLY A 46 2.187 -10.398 -3.170 1.00 0.00 N ATOM 773 CA GLY A 46 0.748 -10.353 -2.984 1.00 0.00 C ATOM 774 C GLY A 46 0.038 -9.434 -3.984 1.00 0.00 C ATOM 775 O GLY A 46 0.663 -8.801 -4.841 1.00 0.00 O ATOM 0 H GLY A 46 2.492 -11.198 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.344 -11.361 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.530 -10.015 -1.971 1.00 0.00 H new ATOM 779 N LYS A 47 -1.288 -9.328 -3.853 1.00 0.00 N ATOM 780 CA LYS A 47 -2.156 -8.529 -4.718 1.00 0.00 C ATOM 781 C LYS A 47 -3.319 -8.039 -3.874 1.00 0.00 C ATOM 782 O LYS A 47 -3.865 -8.787 -3.059 1.00 0.00 O ATOM 783 CB LYS A 47 -2.681 -9.375 -5.900 1.00 0.00 C ATOM 784 CG LYS A 47 -2.666 -8.676 -7.271 1.00 0.00 C ATOM 785 CD LYS A 47 -3.467 -7.374 -7.433 1.00 0.00 C ATOM 786 CE LYS A 47 -4.988 -7.461 -7.583 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.363 -8.075 -8.878 1.00 0.00 N ATOM 0 H LYS A 47 -1.802 -9.813 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.598 -7.690 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.083 -10.284 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.703 -9.682 -5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.628 -8.461 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.034 -9.387 -8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.256 -6.746 -6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.078 -6.853 -8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.404 -8.049 -6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.421 -6.463 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.399 -8.121 -8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.985 -7.500 -9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.968 -9.036 -8.934 1.00 0.00 H new ATOM 801 N VAL A 48 -3.762 -6.817 -4.134 1.00 0.00 N ATOM 802 CA VAL A 48 -4.908 -6.201 -3.485 1.00 0.00 C ATOM 803 C VAL A 48 -5.680 -5.448 -4.580 1.00 0.00 C ATOM 804 O VAL A 48 -5.089 -4.983 -5.556 1.00 0.00 O ATOM 805 CB VAL A 48 -4.415 -5.299 -2.320 1.00 0.00 C ATOM 806 CG1 VAL A 48 -5.556 -4.627 -1.544 1.00 0.00 C ATOM 807 CG2 VAL A 48 -3.590 -6.067 -1.271 1.00 0.00 C ATOM 0 H VAL A 48 -3.320 -6.209 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.583 -6.925 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.804 -4.553 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.140 -4.012 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.136 -3.999 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.203 -5.391 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.275 -5.382 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.199 -6.861 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.711 -6.502 -1.747 1.00 0.00 H new ATOM 817 N GLU A 49 -7.000 -5.345 -4.434 1.00 0.00 N ATOM 818 CA GLU A 49 -7.923 -4.475 -5.164 1.00 0.00 C ATOM 819 C GLU A 49 -8.493 -3.551 -4.063 1.00 0.00 C ATOM 820 O GLU A 49 -9.482 -3.893 -3.404 1.00 0.00 O ATOM 821 CB GLU A 49 -9.029 -5.326 -5.847 1.00 0.00 C ATOM 822 CG GLU A 49 -8.794 -5.590 -7.345 1.00 0.00 C ATOM 823 CD GLU A 49 -9.912 -6.407 -8.025 1.00 0.00 C ATOM 824 OE1 GLU A 49 -10.786 -7.005 -7.351 1.00 0.00 O ATOM 825 OE2 GLU A 49 -9.919 -6.447 -9.280 1.00 0.00 O ATOM 0 H GLU A 49 -7.493 -5.914 -3.746 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.454 -3.907 -5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.106 -6.282 -5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.987 -4.820 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.693 -4.634 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.848 -6.118 -7.466 1.00 0.00 H new ATOM 832 N VAL A 50 -7.843 -2.416 -3.776 1.00 0.00 N ATOM 833 CA VAL A 50 -8.356 -1.394 -2.850 1.00 0.00 C ATOM 834 C VAL A 50 -9.467 -0.636 -3.593 1.00 0.00 C ATOM 835 O VAL A 50 -9.347 -0.444 -4.803 1.00 0.00 O ATOM 836 CB VAL A 50 -7.210 -0.446 -2.406 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.664 0.539 -1.321 1.00 0.00 C ATOM 838 CG2 VAL A 50 -5.995 -1.210 -1.856 1.00 0.00 C ATOM 0 H VAL A 50 -6.938 -2.178 -4.183 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.756 -1.844 -1.941 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.927 0.094 -3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.830 1.182 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.481 1.151 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.004 -0.015 -0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.222 -0.500 -1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.297 -1.799 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.602 -1.873 -2.627 1.00 0.00 H new ATOM 848 N THR A 51 -10.542 -0.203 -2.928 1.00 0.00 N ATOM 849 CA THR A 51 -11.686 0.437 -3.593 1.00 0.00 C ATOM 850 C THR A 51 -12.266 1.508 -2.668 1.00 0.00 C ATOM 851 O THR A 51 -12.722 1.182 -1.570 1.00 0.00 O ATOM 852 CB THR A 51 -12.711 -0.644 -3.987 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.085 -1.549 -4.876 1.00 0.00 O ATOM 854 CG2 THR A 51 -13.955 -0.082 -4.684 1.00 0.00 C ATOM 0 H THR A 51 -10.646 -0.285 -1.917 1.00 0.00 H new ATOM 0 HA THR A 51 -11.381 0.938 -4.512 1.00 0.00 H new ATOM 0 HB THR A 51 -13.041 -1.122 -3.065 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.723 -2.246 -5.136 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.633 -0.899 -4.933 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.460 0.619 -4.019 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.658 0.434 -5.597 1.00 0.00 H new ATOM 862 N THR A 52 -12.197 2.784 -3.056 1.00 0.00 N ATOM 863 CA THR A 52 -12.795 3.876 -2.289 1.00 0.00 C ATOM 864 C THR A 52 -14.320 3.724 -2.288 1.00 0.00 C ATOM 865 O THR A 52 -14.876 3.001 -3.124 1.00 0.00 O ATOM 866 CB THR A 52 -12.332 5.240 -2.836 1.00 0.00 C ATOM 867 OG1 THR A 52 -12.793 5.474 -4.145 1.00 0.00 O ATOM 868 CG2 THR A 52 -10.808 5.383 -2.822 1.00 0.00 C ATOM 0 H THR A 52 -11.726 3.087 -3.908 1.00 0.00 H new ATOM 0 HA THR A 52 -12.458 3.830 -1.253 1.00 0.00 H new ATOM 0 HB THR A 52 -12.767 5.981 -2.166 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.617 6.406 -4.392 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.531 6.360 -3.217 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.443 5.288 -1.799 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.364 4.603 -3.440 1.00 0.00 H new ATOM 876 N GLU A 53 -15.029 4.394 -1.371 1.00 0.00 N ATOM 877 CA GLU A 53 -16.482 4.342 -1.400 1.00 0.00 C ATOM 878 C GLU A 53 -17.033 5.150 -2.584 1.00 0.00 C ATOM 879 O GLU A 53 -18.095 4.829 -3.103 1.00 0.00 O ATOM 880 CB GLU A 53 -17.079 4.693 -0.037 1.00 0.00 C ATOM 881 CG GLU A 53 -16.946 6.133 0.461 1.00 0.00 C ATOM 882 CD GLU A 53 -17.874 7.122 -0.246 1.00 0.00 C ATOM 883 OE1 GLU A 53 -19.105 7.074 -0.009 1.00 0.00 O ATOM 884 OE2 GLU A 53 -17.363 8.034 -0.932 1.00 0.00 O ATOM 0 H GLU A 53 -14.628 4.961 -0.623 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.806 3.317 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -18.141 4.447 -0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -16.620 4.040 0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.153 6.157 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.914 6.459 0.328 1.00 0.00 H new ATOM 891 N ASP A 54 -16.254 6.099 -3.110 1.00 0.00 N ATOM 892 CA ASP A 54 -16.455 6.772 -4.405 1.00 0.00 C ATOM 893 C ASP A 54 -15.968 5.891 -5.574 1.00 0.00 C ATOM 894 O ASP A 54 -15.614 6.373 -6.647 1.00 0.00 O ATOM 895 CB ASP A 54 -15.756 8.143 -4.390 1.00 0.00 C ATOM 896 CG ASP A 54 -16.054 9.014 -5.623 1.00 0.00 C ATOM 897 OD1 ASP A 54 -17.129 8.892 -6.259 1.00 0.00 O ATOM 898 OD2 ASP A 54 -15.213 9.893 -5.940 1.00 0.00 O ATOM 0 H ASP A 54 -15.424 6.439 -2.624 1.00 0.00 H new ATOM 0 HA ASP A 54 -17.522 6.933 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -16.060 8.684 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.679 7.989 -4.319 1.00 0.00 H new ATOM 903 N GLY A 55 -15.893 4.575 -5.371 1.00 0.00 N ATOM 904 CA GLY A 55 -15.739 3.562 -6.408 1.00 0.00 C ATOM 905 C GLY A 55 -14.367 3.502 -7.074 1.00 0.00 C ATOM 906 O GLY A 55 -14.153 2.604 -7.890 1.00 0.00 O ATOM 0 H GLY A 55 -15.940 4.171 -4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.954 2.586 -5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.489 3.740 -7.178 1.00 0.00 H new ATOM 910 N LYS A 56 -13.442 4.421 -6.780 1.00 0.00 N ATOM 911 CA LYS A 56 -12.127 4.443 -7.406 1.00 0.00 C ATOM 912 C LYS A 56 -11.372 3.216 -6.950 1.00 0.00 C ATOM 913 O LYS A 56 -11.036 3.075 -5.773 1.00 0.00 O ATOM 914 CB LYS A 56 -11.364 5.751 -7.153 1.00 0.00 C ATOM 915 CG LYS A 56 -12.179 6.925 -7.702 1.00 0.00 C ATOM 916 CD LYS A 56 -11.317 8.029 -8.321 1.00 0.00 C ATOM 917 CE LYS A 56 -12.193 9.079 -9.014 1.00 0.00 C ATOM 918 NZ LYS A 56 -13.028 8.520 -10.095 1.00 0.00 N ATOM 0 H LYS A 56 -13.589 5.168 -6.101 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.240 4.413 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.189 5.883 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.387 5.715 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.875 6.554 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.777 7.350 -6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.716 8.505 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.624 7.595 -9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.838 9.551 -8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.555 9.861 -9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.369 9.291 -10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.463 7.856 -10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.841 8.019 -9.682 1.00 0.00 H new ATOM 932 N LYS A 57 -11.168 2.299 -7.885 1.00 0.00 N ATOM 933 CA LYS A 57 -10.449 1.075 -7.649 1.00 0.00 C ATOM 934 C LYS A 57 -8.990 1.337 -7.884 1.00 0.00 C ATOM 935 O LYS A 57 -8.597 1.861 -8.928 1.00 0.00 O ATOM 936 CB LYS A 57 -10.965 -0.019 -8.587 1.00 0.00 C ATOM 937 CG LYS A 57 -12.172 -0.758 -7.996 1.00 0.00 C ATOM 938 CD LYS A 57 -13.402 -0.754 -8.900 1.00 0.00 C ATOM 939 CE LYS A 57 -13.122 -1.466 -10.226 1.00 0.00 C ATOM 940 NZ LYS A 57 -14.228 -1.284 -11.183 1.00 0.00 N ATOM 0 H LYS A 57 -11.507 2.395 -8.842 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.598 0.734 -6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.244 0.424 -9.543 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.165 -0.732 -8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.888 -1.790 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.433 -0.302 -7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.232 -1.244 -8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.709 0.274 -9.095 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.199 -1.081 -10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.969 -2.530 -10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.005 -1.779 -12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.104 -1.674 -10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.357 -0.270 -11.376 1.00 0.00 H new ATOM 954 N TYR A 58 -8.202 0.847 -6.945 1.00 0.00 N ATOM 955 CA TYR A 58 -6.777 0.752 -7.029 1.00 0.00 C ATOM 956 C TYR A 58 -6.365 -0.651 -6.651 1.00 0.00 C ATOM 957 O TYR A 58 -6.042 -0.996 -5.514 1.00 0.00 O ATOM 958 CB TYR A 58 -6.127 1.823 -6.156 1.00 0.00 C ATOM 959 CG TYR A 58 -6.661 3.240 -6.291 1.00 0.00 C ATOM 960 CD1 TYR A 58 -6.332 4.035 -7.405 1.00 0.00 C ATOM 961 CD2 TYR A 58 -7.462 3.783 -5.266 1.00 0.00 C ATOM 962 CE1 TYR A 58 -6.765 5.374 -7.471 1.00 0.00 C ATOM 963 CE2 TYR A 58 -7.846 5.138 -5.298 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.498 5.944 -6.405 1.00 0.00 C ATOM 965 OH TYR A 58 -7.849 7.263 -6.443 1.00 0.00 O ATOM 0 H TYR A 58 -8.568 0.489 -6.063 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.433 0.938 -8.046 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.230 1.520 -5.114 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.060 1.840 -6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.746 3.618 -8.211 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.784 3.155 -4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.535 5.969 -8.342 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.406 5.560 -4.477 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.350 7.492 -5.632 1.00 0.00 H new ATOM 975 N VAL A 59 -6.420 -1.484 -7.669 1.00 0.00 N ATOM 976 CA VAL A 59 -5.503 -2.586 -7.813 1.00 0.00 C ATOM 977 C VAL A 59 -4.079 -2.039 -7.811 1.00 0.00 C ATOM 978 O VAL A 59 -3.774 -0.995 -8.398 1.00 0.00 O ATOM 979 CB VAL A 59 -5.942 -3.409 -9.017 1.00 0.00 C ATOM 980 CG1 VAL A 59 -6.334 -2.608 -10.241 1.00 0.00 C ATOM 981 CG2 VAL A 59 -4.922 -4.484 -9.400 1.00 0.00 C ATOM 0 H VAL A 59 -7.106 -1.412 -8.421 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.514 -3.290 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.855 -3.890 -8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.630 -3.287 -11.041 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.169 -1.952 -9.994 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.486 -2.008 -10.570 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.286 -5.040 -10.264 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.971 -4.012 -9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.781 -5.167 -8.562 1.00 0.00 H new ATOM 991 N ILE A 60 -3.245 -2.744 -7.074 1.00 0.00 N ATOM 992 CA ILE A 60 -1.816 -2.587 -6.955 1.00 0.00 C ATOM 993 C ILE A 60 -1.350 -4.023 -6.939 1.00 0.00 C ATOM 994 O ILE A 60 -1.929 -4.856 -6.234 1.00 0.00 O ATOM 995 CB ILE A 60 -1.402 -1.870 -5.651 1.00 0.00 C ATOM 996 CG1 ILE A 60 -2.398 -2.092 -4.486 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.202 -0.383 -5.903 1.00 0.00 C ATOM 998 CD1 ILE A 60 -1.958 -1.523 -3.135 1.00 0.00 C ATOM 0 H ILE A 60 -3.585 -3.510 -6.492 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.390 -1.974 -7.749 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.458 -2.318 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.354 -1.644 -4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.568 -3.163 -4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.911 0.107 -4.974 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.419 -0.242 -6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.132 0.053 -6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.723 -1.730 -2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.019 -1.987 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.818 -0.446 -3.222 1.00 0.00 H new ATOM 1010 N GLU A 61 -0.343 -4.336 -7.717 1.00 0.00 N ATOM 1011 CA GLU A 61 0.325 -5.607 -7.680 1.00 0.00 C ATOM 1012 C GLU A 61 1.476 -5.529 -6.696 1.00 0.00 C ATOM 1013 O GLU A 61 1.640 -4.552 -5.961 1.00 0.00 O ATOM 1014 CB GLU A 61 0.770 -5.945 -9.101 1.00 0.00 C ATOM 1015 CG GLU A 61 -0.454 -6.163 -10.001 1.00 0.00 C ATOM 1016 CD GLU A 61 -0.642 -5.139 -11.114 1.00 0.00 C ATOM 1017 OE1 GLU A 61 -1.261 -4.081 -10.878 1.00 0.00 O ATOM 1018 OE2 GLU A 61 -0.228 -5.448 -12.260 1.00 0.00 O ATOM 0 H GLU A 61 0.042 -3.695 -8.410 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.330 -6.407 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.384 -5.138 -9.499 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.389 -6.842 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.380 -7.153 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.347 -6.162 -9.376 1.00 0.00 H new ATOM 1025 N LYS A 62 2.216 -6.623 -6.621 1.00 0.00 N ATOM 1026 CA LYS A 62 3.628 -6.569 -6.339 1.00 0.00 C ATOM 1027 C LYS A 62 4.293 -5.876 -7.533 1.00 0.00 C ATOM 1028 O LYS A 62 4.096 -6.258 -8.697 1.00 0.00 O ATOM 1029 CB LYS A 62 4.115 -7.980 -6.048 1.00 0.00 C ATOM 1030 CG LYS A 62 3.924 -8.975 -7.198 1.00 0.00 C ATOM 1031 CD LYS A 62 3.277 -10.293 -6.733 1.00 0.00 C ATOM 1032 CE LYS A 62 2.495 -11.006 -7.847 1.00 0.00 C ATOM 1033 NZ LYS A 62 1.930 -12.302 -7.403 1.00 0.00 N ATOM 0 H LYS A 62 1.850 -7.566 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 62 3.883 -5.989 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.174 -7.939 -5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.591 -8.356 -5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.302 -8.520 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.891 -9.189 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.054 -10.960 -6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.605 -10.087 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.687 -10.360 -8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.154 -11.173 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.500 -12.790 -8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.688 -12.893 -7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.205 -12.134 -6.677 1.00 0.00 H new ATOM 1047 N GLY A 63 5.049 -4.834 -7.234 1.00 0.00 N ATOM 1048 CA GLY A 63 5.709 -3.974 -8.204 1.00 0.00 C ATOM 1049 C GLY A 63 5.246 -2.521 -8.172 1.00 0.00 C ATOM 1050 O GLY A 63 5.547 -1.794 -9.125 1.00 0.00 O ATOM 0 H GLY A 63 5.228 -4.552 -6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.784 -4.005 -8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.539 -4.375 -9.203 1.00 0.00 H new ATOM 1054 N ASP A 64 4.539 -2.094 -7.125 1.00 0.00 N ATOM 1055 CA ASP A 64 4.013 -0.741 -6.964 1.00 0.00 C ATOM 1056 C ASP A 64 4.616 -0.132 -5.696 1.00 0.00 C ATOM 1057 O ASP A 64 4.849 -0.841 -4.710 1.00 0.00 O ATOM 1058 CB ASP A 64 2.473 -0.791 -6.835 1.00 0.00 C ATOM 1059 CG ASP A 64 1.715 -1.201 -8.096 1.00 0.00 C ATOM 1060 OD1 ASP A 64 1.583 -2.409 -8.374 1.00 0.00 O ATOM 1061 OD2 ASP A 64 1.143 -0.308 -8.760 1.00 0.00 O ATOM 0 H ASP A 64 4.310 -2.703 -6.339 1.00 0.00 H new ATOM 0 HA ASP A 64 4.275 -0.134 -7.831 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.216 -1.487 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.121 0.193 -6.525 1.00 0.00 H new ATOM 1066 N LEU A 65 4.795 1.190 -5.683 1.00 0.00 N ATOM 1067 CA LEU A 65 4.890 2.011 -4.487 1.00 0.00 C ATOM 1068 C LEU A 65 3.601 2.825 -4.433 1.00 0.00 C ATOM 1069 O LEU A 65 3.103 3.249 -5.479 1.00 0.00 O ATOM 1070 CB LEU A 65 6.105 2.927 -4.616 1.00 0.00 C ATOM 1071 CG LEU A 65 6.326 3.933 -3.465 1.00 0.00 C ATOM 1072 CD1 LEU A 65 7.167 3.325 -2.341 1.00 0.00 C ATOM 1073 CD2 LEU A 65 7.038 5.178 -3.998 1.00 0.00 C ATOM 0 H LEU A 65 4.880 1.734 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 65 5.009 1.419 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.996 2.305 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.015 3.486 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 65 5.348 4.197 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.302 4.061 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.658 2.449 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.141 3.031 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.192 5.886 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.002 4.893 -4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.427 5.643 -4.772 1.00 0.00 H new ATOM 1085 N VAL A 66 3.091 3.083 -3.235 1.00 0.00 N ATOM 1086 CA VAL A 66 1.885 3.853 -2.980 1.00 0.00 C ATOM 1087 C VAL A 66 2.222 4.893 -1.919 1.00 0.00 C ATOM 1088 O VAL A 66 3.094 4.659 -1.083 1.00 0.00 O ATOM 1089 CB VAL A 66 0.749 2.914 -2.508 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.637 3.582 -2.522 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.655 1.626 -3.341 1.00 0.00 C ATOM 0 H VAL A 66 3.528 2.745 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 66 1.538 4.351 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 66 1.022 2.671 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.388 2.870 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.630 4.448 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.876 3.903 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.159 1.007 -2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.464 1.880 -4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.593 1.076 -3.267 1.00 0.00 H new ATOM 1101 N THR A 67 1.489 6.002 -1.913 1.00 0.00 N ATOM 1102 CA THR A 67 1.383 6.914 -0.788 1.00 0.00 C ATOM 1103 C THR A 67 -0.100 7.257 -0.645 1.00 0.00 C ATOM 1104 O THR A 67 -0.659 7.934 -1.513 1.00 0.00 O ATOM 1105 CB THR A 67 2.274 8.149 -1.009 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.637 7.773 -1.102 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.168 9.120 0.175 1.00 0.00 C ATOM 0 H THR A 67 0.936 6.297 -2.718 1.00 0.00 H new ATOM 0 HA THR A 67 1.740 6.466 0.139 1.00 0.00 H new ATOM 0 HB THR A 67 1.934 8.621 -1.930 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.188 8.571 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.807 9.985 -0.005 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.135 9.449 0.284 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.487 8.617 1.088 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.756 6.749 0.398 1.00 0.00 N ATOM 1116 CA PHE A 68 -2.102 7.161 0.792 1.00 0.00 C ATOM 1117 C PHE A 68 -2.019 8.492 1.558 1.00 0.00 C ATOM 1118 O PHE A 68 -0.992 8.764 2.190 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.716 6.079 1.692 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.874 4.724 1.025 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -4.000 4.458 0.221 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -1.901 3.723 1.213 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.163 3.190 -0.361 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.058 2.461 0.614 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.193 2.192 -0.168 1.00 0.00 C ATOM 0 H PHE A 68 -0.361 6.028 1.002 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.726 7.292 -0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.092 5.964 2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.694 6.419 2.033 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.738 5.229 0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.031 3.926 1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.038 2.981 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.306 1.699 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.320 1.220 -0.620 1.00 0.00 H new ATOM 1135 N PRO A 69 -3.080 9.322 1.554 1.00 0.00 N ATOM 1136 CA PRO A 69 -3.112 10.528 2.361 1.00 0.00 C ATOM 1137 C PRO A 69 -3.290 10.201 3.838 1.00 0.00 C ATOM 1138 O PRO A 69 -3.700 9.118 4.253 1.00 0.00 O ATOM 1139 CB PRO A 69 -4.332 11.330 1.900 1.00 0.00 C ATOM 1140 CG PRO A 69 -5.271 10.212 1.511 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.349 9.176 0.861 1.00 0.00 C ATOM 0 HA PRO A 69 -2.177 11.075 2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.740 11.956 2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.102 11.988 1.062 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.786 9.801 2.379 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.039 10.556 0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.747 8.167 0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.239 9.359 -0.208 1.00 0.00 H new ATOM 1149 N LYS A 70 -3.138 11.273 4.592 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.596 11.433 5.953 1.00 0.00 C ATOM 1151 C LYS A 70 -5.097 11.716 5.868 1.00 0.00 C ATOM 1152 O LYS A 70 -5.478 12.782 5.381 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.760 12.576 6.551 1.00 0.00 C ATOM 1154 CG LYS A 70 -3.077 12.940 8.003 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.947 13.806 8.567 1.00 0.00 C ATOM 1156 CE LYS A 70 -2.290 14.187 10.007 1.00 0.00 C ATOM 1157 NZ LYS A 70 -1.104 14.184 10.888 1.00 0.00 N ATOM 0 H LYS A 70 -2.661 12.106 4.246 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.468 10.565 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.707 12.304 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.899 13.464 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.024 13.477 8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.190 12.035 8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.003 13.262 8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.819 14.702 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.746 15.177 10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.031 13.490 10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.168 13.387 11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.244 14.086 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.065 15.077 11.420 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.941 10.751 6.227 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.385 10.893 6.369 1.00 0.00 C ATOM 1173 C GLY A 71 -8.134 10.344 5.156 1.00 0.00 C ATOM 1174 O GLY A 71 -8.701 11.133 4.397 1.00 0.00 O ATOM 0 H GLY A 71 -5.620 9.806 6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.715 10.370 7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.635 11.945 6.504 1.00 0.00 H new ATOM 1178 N LEU A 72 -8.150 9.023 4.959 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.878 8.315 3.898 1.00 0.00 C ATOM 1180 C LEU A 72 -9.468 7.025 4.470 1.00 0.00 C ATOM 1181 O LEU A 72 -8.884 6.420 5.365 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.911 8.026 2.731 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.345 6.984 1.673 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -9.543 7.433 0.829 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -7.177 6.716 0.720 1.00 0.00 C ATOM 0 H LEU A 72 -7.631 8.386 5.563 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.698 8.926 3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.719 8.967 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.963 7.696 3.156 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.640 6.091 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.793 6.654 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.399 7.614 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.291 8.351 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.478 5.982 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.892 7.644 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.328 6.331 1.285 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.592 6.578 3.904 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.304 5.344 4.223 1.00 0.00 C ATOM 1199 C ARG A 73 -11.650 4.643 2.917 1.00 0.00 C ATOM 1200 O ARG A 73 -12.147 5.303 1.996 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.590 5.630 5.028 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.397 6.880 4.620 1.00 0.00 C ATOM 1203 CD ARG A 73 -12.915 8.176 5.304 1.00 0.00 C ATOM 1204 NE ARG A 73 -12.900 9.323 4.381 1.00 0.00 N ATOM 1205 CZ ARG A 73 -13.036 10.617 4.690 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -13.300 11.044 5.919 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -12.898 11.498 3.716 1.00 0.00 N ATOM 0 H ARG A 73 -11.056 7.104 3.164 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.667 4.710 4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.243 4.761 4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.319 5.728 6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.336 7.005 3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.447 6.720 4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.565 8.401 6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.913 8.022 5.705 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.771 9.106 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.409 10.373 6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.394 12.043 6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.695 11.182 2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.995 12.494 3.912 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.421 3.332 2.822 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.781 2.543 1.647 1.00 0.00 C ATOM 1223 C CYS A 74 -11.880 1.056 1.975 1.00 0.00 C ATOM 1224 O CYS A 74 -11.317 0.587 2.961 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.721 2.693 0.555 1.00 0.00 C ATOM 1226 SG CYS A 74 -9.034 2.471 1.203 1.00 0.00 S ATOM 0 H CYS A 74 -10.979 2.787 3.562 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.748 2.915 1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.906 1.962 -0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.807 3.680 0.100 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.059 1.641 2.203 1.00 0.00 H new ATOM 1232 N ARG A 75 -12.497 0.282 1.078 1.00 0.00 N ATOM 1233 CA ARG A 75 -12.437 -1.175 1.110 1.00 0.00 C ATOM 1234 C ARG A 75 -11.039 -1.692 0.836 1.00 0.00 C ATOM 1235 O ARG A 75 -10.215 -0.985 0.254 1.00 0.00 O ATOM 1236 CB ARG A 75 -13.360 -1.785 0.051 1.00 0.00 C ATOM 1237 CG ARG A 75 -14.298 -2.818 0.684 1.00 0.00 C ATOM 1238 CD ARG A 75 -15.692 -2.246 0.860 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.731 -0.887 1.438 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.896 -0.250 1.638 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -18.030 -0.786 1.189 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -16.930 0.897 2.305 1.00 0.00 N ATOM 0 H ARG A 75 -13.053 0.653 0.308 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.750 -1.466 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.945 -0.999 -0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.764 -2.257 -0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.342 -3.708 0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.903 -3.129 1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.188 -2.228 -0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.267 -2.915 1.500 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.857 -0.424 1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.012 -1.678 0.695 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.916 -0.304 1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.067 1.301 2.670 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.819 1.375 2.453 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.835 -2.964 1.167 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.585 -3.681 0.979 1.00 0.00 C ATOM 1258 C TRP A 76 -9.915 -5.130 0.611 1.00 0.00 C ATOM 1259 O TRP A 76 -10.382 -5.887 1.467 1.00 0.00 O ATOM 1260 CB TRP A 76 -8.720 -3.578 2.248 1.00 0.00 C ATOM 1261 CG TRP A 76 -7.516 -2.705 2.086 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -7.523 -1.363 1.929 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -6.116 -3.105 2.004 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -6.237 -0.916 1.705 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -5.329 -1.949 1.726 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -5.433 -4.333 2.114 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.942 -2.011 1.520 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -4.042 -4.406 1.928 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -3.300 -3.255 1.619 1.00 0.00 C ATOM 0 H TRP A 76 -11.563 -3.541 1.588 1.00 0.00 H new ATOM 0 HA TRP A 76 -9.002 -3.243 0.169 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.331 -3.191 3.063 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -8.397 -4.578 2.539 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.401 -0.736 1.972 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.990 0.060 1.544 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.987 -5.231 2.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -3.379 -1.118 1.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.539 -5.357 2.024 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.235 -3.327 1.457 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.765 -5.526 -0.659 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.839 -6.937 -1.053 1.00 0.00 C ATOM 1282 C LYS A 77 -8.422 -7.431 -1.254 1.00 0.00 C ATOM 1283 O LYS A 77 -7.759 -6.969 -2.182 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.656 -7.132 -2.336 1.00 0.00 C ATOM 1285 CG LYS A 77 -10.727 -8.619 -2.718 1.00 0.00 C ATOM 1286 CD LYS A 77 -12.006 -9.033 -3.462 1.00 0.00 C ATOM 1287 CE LYS A 77 -12.052 -8.575 -4.922 1.00 0.00 C ATOM 1288 NZ LYS A 77 -12.354 -7.141 -5.091 1.00 0.00 N ATOM 0 H LYS A 77 -9.591 -4.886 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.345 -7.504 -0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.663 -6.740 -2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.205 -6.564 -3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.866 -8.861 -3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.641 -9.217 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.098 -10.119 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.869 -8.624 -2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.092 -8.791 -5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.804 -9.159 -5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.285 -7.033 -5.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.365 -6.676 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.626 -6.701 -5.689 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.957 -8.313 -0.382 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.732 -9.043 -0.582 1.00 0.00 C ATOM 1304 C VAL A 78 -7.108 -10.131 -1.578 1.00 0.00 C ATOM 1305 O VAL A 78 -8.081 -10.860 -1.371 1.00 0.00 O ATOM 1306 CB VAL A 78 -6.221 -9.629 0.750 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.724 -9.897 0.645 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -6.475 -8.695 1.946 1.00 0.00 C ATOM 0 H VAL A 78 -8.432 -8.539 0.492 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.918 -8.419 -0.952 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.773 -10.552 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.362 -10.311 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.537 -10.608 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.201 -8.964 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.095 -9.158 2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.965 -7.746 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.546 -8.518 2.048 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.373 -10.209 -2.679 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.462 -11.346 -3.586 1.00 0.00 C ATOM 1320 C LEU A 79 -5.282 -12.290 -3.412 1.00 0.00 C ATOM 1321 O LEU A 79 -5.397 -13.443 -3.809 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.631 -10.875 -5.038 1.00 0.00 C ATOM 1323 CG LEU A 79 -7.969 -10.146 -5.264 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -8.120 -9.729 -6.726 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.167 -11.016 -4.870 1.00 0.00 C ATOM 0 H LEU A 79 -5.705 -9.494 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.354 -11.918 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.808 -10.209 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.571 -11.734 -5.706 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.955 -9.261 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.072 -9.216 -6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.305 -9.059 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.091 -10.614 -7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.091 -10.464 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.169 -11.926 -5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.095 -11.278 -3.814 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.195 -11.866 -2.762 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.107 -12.776 -2.397 1.00 0.00 C ATOM 1339 C GLU A 80 -2.468 -12.302 -1.084 1.00 0.00 C ATOM 1340 O GLU A 80 -2.342 -11.085 -0.917 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.008 -12.770 -3.479 1.00 0.00 C ATOM 1342 CG GLU A 80 -2.394 -13.027 -4.943 1.00 0.00 C ATOM 1343 CD GLU A 80 -1.220 -12.839 -5.919 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -0.049 -12.667 -5.508 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -1.456 -12.933 -7.144 1.00 0.00 O ATOM 0 H GLU A 80 -4.045 -10.898 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.521 -13.779 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.511 -11.801 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.268 -13.520 -3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.779 -14.042 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.203 -12.352 -5.223 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.016 -13.207 -0.191 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.498 -12.868 1.133 1.00 0.00 C ATOM 1354 C PRO A 81 -0.251 -11.984 1.033 1.00 0.00 C ATOM 1355 O PRO A 81 0.858 -12.425 0.723 1.00 0.00 O ATOM 1356 CB PRO A 81 -1.264 -14.190 1.868 1.00 0.00 C ATOM 1357 CG PRO A 81 -1.156 -15.226 0.754 1.00 0.00 C ATOM 1358 CD PRO A 81 -2.033 -14.654 -0.357 1.00 0.00 C ATOM 0 HA PRO A 81 -2.208 -12.267 1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.355 -14.156 2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.086 -14.419 2.546 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.125 -15.354 0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.510 -16.204 1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.651 -14.937 -1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.050 -15.041 -0.287 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.467 -10.691 1.234 1.00 0.00 N ATOM 1367 CA VAL A 82 0.504 -9.646 0.977 1.00 0.00 C ATOM 1368 C VAL A 82 1.647 -9.692 1.989 1.00 0.00 C ATOM 1369 O VAL A 82 1.493 -10.151 3.128 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.264 -8.307 0.933 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -0.913 -7.929 2.270 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.596 -7.133 0.469 1.00 0.00 C ATOM 0 H VAL A 82 -1.353 -10.333 1.592 1.00 0.00 H new ATOM 0 HA VAL A 82 1.000 -9.783 0.016 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.048 -8.489 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.435 -6.978 2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.624 -8.703 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.142 -7.837 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.004 -6.223 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.437 -7.007 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.969 -7.330 -0.536 1.00 0.00 H new ATOM 1382 N ARG A 83 2.785 -9.138 1.577 1.00 0.00 N ATOM 1383 CA ARG A 83 3.874 -8.701 2.433 1.00 0.00 C ATOM 1384 C ARG A 83 4.325 -7.396 1.793 1.00 0.00 C ATOM 1385 O ARG A 83 4.781 -7.390 0.646 1.00 0.00 O ATOM 1386 CB ARG A 83 4.973 -9.779 2.490 1.00 0.00 C ATOM 1387 CG ARG A 83 5.468 -10.069 3.912 1.00 0.00 C ATOM 1388 CD ARG A 83 6.425 -11.265 3.884 1.00 0.00 C ATOM 1389 NE ARG A 83 6.962 -11.584 5.217 1.00 0.00 N ATOM 1390 CZ ARG A 83 8.151 -12.150 5.464 1.00 0.00 C ATOM 1391 NH1 ARG A 83 8.950 -12.540 4.478 1.00 0.00 N ATOM 1392 NH2 ARG A 83 8.550 -12.335 6.714 1.00 0.00 N ATOM 0 H ARG A 83 2.977 -8.976 0.589 1.00 0.00 H new ATOM 0 HA ARG A 83 3.595 -8.548 3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.591 -10.701 2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.816 -9.460 1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.974 -9.193 4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.623 -10.281 4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.903 -12.136 3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.250 -11.051 3.204 1.00 0.00 H new ATOM 0 HE ARG A 83 6.379 -11.354 6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.663 -12.411 3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.851 -12.969 4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.952 -12.047 7.488 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.455 -12.766 6.902 1.00 0.00 H new ATOM 1406 N LYS A 84 4.075 -6.265 2.450 1.00 0.00 N ATOM 1407 CA LYS A 84 4.483 -4.964 1.927 1.00 0.00 C ATOM 1408 C LYS A 84 5.163 -4.219 3.052 1.00 0.00 C ATOM 1409 O LYS A 84 4.810 -4.363 4.227 1.00 0.00 O ATOM 1410 CB LYS A 84 3.308 -4.198 1.274 1.00 0.00 C ATOM 1411 CG LYS A 84 2.541 -3.176 2.130 1.00 0.00 C ATOM 1412 CD LYS A 84 1.685 -3.812 3.225 1.00 0.00 C ATOM 1413 CE LYS A 84 0.193 -3.481 3.056 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.230 -2.202 3.662 1.00 0.00 N ATOM 0 H LYS A 84 3.591 -6.224 3.347 1.00 0.00 H new ATOM 0 HA LYS A 84 5.192 -5.081 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.696 -3.675 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.590 -4.935 0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.254 -2.492 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.900 -2.579 1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.820 -4.893 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.026 -3.463 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.041 -3.458 1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.396 -4.287 3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.248 -2.061 3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.042 -2.223 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.301 -1.420 3.229 1.00 0.00 H new ATOM 1428 N HIS A 85 6.123 -3.395 2.668 1.00 0.00 N ATOM 1429 CA HIS A 85 6.806 -2.513 3.581 1.00 0.00 C ATOM 1430 C HIS A 85 6.008 -1.210 3.571 1.00 0.00 C ATOM 1431 O HIS A 85 6.098 -0.468 2.593 1.00 0.00 O ATOM 1432 CB HIS A 85 8.274 -2.330 3.157 1.00 0.00 C ATOM 1433 CG HIS A 85 9.210 -3.396 3.687 1.00 0.00 C ATOM 1434 ND1 HIS A 85 9.676 -4.517 3.028 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.809 -3.370 4.917 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.532 -5.148 3.853 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.652 -4.481 5.006 1.00 0.00 N ATOM 0 H HIS A 85 6.448 -3.324 1.704 1.00 0.00 H new ATOM 0 HA HIS A 85 6.853 -2.911 4.595 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.328 -2.323 2.068 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.621 -1.355 3.499 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.657 -2.624 5.683 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.050 -6.066 3.617 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.244 -4.734 5.797 1.00 0.00 H new ATOM 1445 N TYR A 86 5.164 -0.965 4.582 1.00 0.00 N ATOM 1446 CA TYR A 86 4.504 0.330 4.776 1.00 0.00 C ATOM 1447 C TYR A 86 5.356 1.223 5.675 1.00 0.00 C ATOM 1448 O TYR A 86 6.158 0.715 6.461 1.00 0.00 O ATOM 1449 CB TYR A 86 3.093 0.171 5.372 1.00 0.00 C ATOM 1450 CG TYR A 86 3.025 0.008 6.883 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.489 -1.161 7.515 1.00 0.00 C ATOM 1452 CD2 TYR A 86 2.501 1.056 7.663 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.441 -1.280 8.917 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.429 0.941 9.057 1.00 0.00 C ATOM 1455 CZ TYR A 86 2.896 -0.229 9.692 1.00 0.00 C ATOM 1456 OH TYR A 86 2.765 -0.337 11.041 1.00 0.00 O ATOM 0 H TYR A 86 4.920 -1.660 5.288 1.00 0.00 H new ATOM 0 HA TYR A 86 4.397 0.796 3.797 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.501 1.043 5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.620 -0.696 4.911 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.884 -1.972 6.921 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.151 1.957 7.182 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.819 -2.170 9.399 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.016 1.747 9.645 1.00 0.00 H new ATOM 0 HH TYR A 86 2.372 0.486 11.398 1.00 0.00 H new ATOM 1466 N ASN A 87 5.162 2.539 5.635 1.00 0.00 N ATOM 1467 CA ASN A 87 5.600 3.387 6.730 1.00 0.00 C ATOM 1468 C ASN A 87 4.755 4.647 6.780 1.00 0.00 C ATOM 1469 O ASN A 87 4.417 5.212 5.738 1.00 0.00 O ATOM 1470 CB ASN A 87 7.080 3.755 6.581 1.00 0.00 C ATOM 1471 CG ASN A 87 7.688 4.229 7.888 1.00 0.00 C ATOM 1472 OD1 ASN A 87 7.108 4.100 8.968 1.00 0.00 O ATOM 1473 ND2 ASN A 87 8.901 4.742 7.819 1.00 0.00 N ATOM 0 H ASN A 87 4.710 3.032 4.865 1.00 0.00 H new ATOM 0 HA ASN A 87 5.478 2.833 7.661 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.633 2.889 6.218 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.184 4.537 5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.377 5.041 8.670 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.363 4.840 6.915 1.00 0.00 H new ATOM 1480 N LEU A 88 4.431 5.077 7.995 1.00 0.00 N ATOM 1481 CA LEU A 88 3.713 6.312 8.267 1.00 0.00 C ATOM 1482 C LEU A 88 4.708 7.475 8.301 1.00 0.00 C ATOM 1483 O LEU A 88 5.924 7.252 8.400 1.00 0.00 O ATOM 1484 CB LEU A 88 2.969 6.187 9.606 1.00 0.00 C ATOM 1485 CG LEU A 88 1.946 5.035 9.641 1.00 0.00 C ATOM 1486 CD1 LEU A 88 1.525 4.753 11.087 1.00 0.00 C ATOM 1487 CD2 LEU A 88 0.707 5.362 8.813 1.00 0.00 C ATOM 0 H LEU A 88 4.669 4.559 8.841 1.00 0.00 H new ATOM 0 HA LEU A 88 2.980 6.502 7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.697 6.039 10.404 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.454 7.125 9.814 1.00 0.00 H new ATOM 0 HG LEU A 88 2.425 4.154 9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.802 3.938 11.103 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.401 4.473 11.673 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.073 5.647 11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.007 4.528 8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.230 6.258 9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.997 5.534 7.776 1.00 0.00 H new ATOM 1499 N PHE A 89 4.222 8.715 8.251 1.00 0.00 N ATOM 1500 CA PHE A 89 4.962 9.919 8.596 1.00 0.00 C ATOM 1501 C PHE A 89 3.962 10.998 8.981 1.00 0.00 C ATOM 1502 O PHE A 89 4.293 11.747 9.932 1.00 0.00 O ATOM 1503 CB PHE A 89 5.941 10.376 7.493 1.00 0.00 C ATOM 1504 CG PHE A 89 5.432 10.505 6.063 1.00 0.00 C ATOM 1505 CD1 PHE A 89 5.056 9.364 5.328 1.00 0.00 C ATOM 1506 CD2 PHE A 89 5.426 11.762 5.423 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.638 9.478 3.993 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.058 11.870 4.069 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.664 10.726 3.351 1.00 0.00 C ATOM 0 H PHE A 89 3.265 8.911 7.957 1.00 0.00 H new ATOM 0 HA PHE A 89 5.610 9.703 9.446 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.341 11.346 7.789 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.776 9.676 7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.090 8.391 5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.706 12.647 5.975 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.296 8.604 3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.078 12.833 3.580 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.383 10.808 2.311 1.00 0.00 H new