USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 804 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 9 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 17 ASN : amide:sc= -0.444 K(o=-0.44,f=-3.1!) USER MOD Single : A 19 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.1!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -57:sc= 0.79 USER MOD Single : A 31 TYR OH : rot -43:sc= -0.0172 USER MOD Single : A 35 MET CE :methyl -142:sc= -4.59! (180deg=-9.18!) USER MOD Single : A 37 THR OG1 : rot 42:sc= -0.98 USER MOD Single : A 38 ASN : amide:sc= -0.152 K(o=-0.15,f=-6.2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -120:sc= 0 USER MOD Single : A 48 CYS SG : rot -50:sc= -0.478 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0357 K(o=-0.036,f=-1.6!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 106 GLN : amide:sc=-0.00131 X(o=-0.0013,f=0) USER MOD Single : A 109 ASN : amide:sc= 1.02 K(o=1,f=-1) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-2.5!) USER MOD Single : A 118 GLN : amide:sc= -0.871 K(o=-0.87,f=-3) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 CYS SG : rot -170:sc= -1.05 USER MOD Single : A 124 HIS :FLIP no HD1:sc= -0.821 F(o=-2.2,f=-0.82) USER MOD Single : A 125 MET CE :methyl -130:sc= -1.47! (180deg=-2.31!) USER MOD Single : A 128 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 77 N ASN A 9 -21.516 -11.850 -11.537 1.00 0.00 N ATOM 78 CA ASN A 9 -21.194 -11.057 -10.363 1.00 0.00 C ATOM 79 C ASN A 9 -19.894 -10.289 -10.613 1.00 0.00 C ATOM 80 O ASN A 9 -19.093 -10.677 -11.462 1.00 0.00 O ATOM 81 CB ASN A 9 -20.989 -11.947 -9.136 1.00 0.00 C ATOM 82 CG ASN A 9 -20.309 -13.263 -9.521 1.00 0.00 C ATOM 83 OD1 ASN A 9 -20.941 -14.220 -9.937 1.00 0.00 O ATOM 84 ND2 ASN A 9 -18.989 -13.257 -9.359 1.00 0.00 N ATOM 0 HA ASN A 9 -22.024 -10.375 -10.179 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.382 -11.422 -8.399 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -21.951 -12.154 -8.668 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.443 -14.088 -9.588 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.522 -12.421 -9.006 1.00 0.00 H new ATOM 91 N PHE A 10 -19.724 -9.214 -9.857 1.00 0.00 N ATOM 92 CA PHE A 10 -18.535 -8.389 -9.985 1.00 0.00 C ATOM 93 C PHE A 10 -18.248 -7.635 -8.685 1.00 0.00 C ATOM 94 O PHE A 10 -19.104 -6.908 -8.183 1.00 0.00 O ATOM 95 CB PHE A 10 -18.812 -7.376 -11.098 1.00 0.00 C ATOM 96 CG PHE A 10 -19.598 -6.146 -10.639 1.00 0.00 C ATOM 97 CD1 PHE A 10 -18.944 -5.084 -10.097 1.00 0.00 C ATOM 98 CD2 PHE A 10 -20.952 -6.116 -10.772 1.00 0.00 C ATOM 99 CE1 PHE A 10 -19.674 -3.943 -9.671 1.00 0.00 C ATOM 100 CE2 PHE A 10 -21.681 -4.975 -10.346 1.00 0.00 C ATOM 101 CZ PHE A 10 -21.027 -3.913 -9.804 1.00 0.00 C ATOM 0 H PHE A 10 -20.390 -8.895 -9.153 1.00 0.00 H new ATOM 0 HA PHE A 10 -17.671 -9.014 -10.209 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -17.863 -7.050 -11.523 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -19.365 -7.871 -11.896 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -17.870 -5.108 -9.991 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -21.472 -6.960 -11.201 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -19.155 -3.099 -9.241 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -22.755 -4.950 -10.452 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.582 -3.046 -9.479 1.00 0.00 H new ATOM 111 N LEU A 11 -17.040 -7.834 -8.178 1.00 0.00 N ATOM 112 CA LEU A 11 -16.630 -7.183 -6.946 1.00 0.00 C ATOM 113 C LEU A 11 -15.296 -6.468 -7.172 1.00 0.00 C ATOM 114 O LEU A 11 -14.249 -7.110 -7.248 1.00 0.00 O ATOM 115 CB LEU A 11 -16.602 -8.187 -5.792 1.00 0.00 C ATOM 116 CG LEU A 11 -15.892 -7.725 -4.518 1.00 0.00 C ATOM 117 CD1 LEU A 11 -16.836 -6.915 -3.627 1.00 0.00 C ATOM 118 CD2 LEU A 11 -15.277 -8.911 -3.772 1.00 0.00 C ATOM 0 H LEU A 11 -16.332 -8.437 -8.598 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.355 -6.422 -6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -17.630 -8.447 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.120 -9.100 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.073 -7.065 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.306 -6.599 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.185 -6.037 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.690 -7.531 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.779 -8.555 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.062 -9.615 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.551 -9.409 -4.415 1.00 0.00 H new ATOM 130 N GLU A 12 -15.376 -5.150 -7.274 1.00 0.00 N ATOM 131 CA GLU A 12 -14.188 -4.342 -7.490 1.00 0.00 C ATOM 132 C GLU A 12 -14.151 -3.178 -6.498 1.00 0.00 C ATOM 133 O GLU A 12 -15.178 -2.806 -5.933 1.00 0.00 O ATOM 134 CB GLU A 12 -14.125 -3.835 -8.933 1.00 0.00 C ATOM 135 CG GLU A 12 -14.313 -4.984 -9.926 1.00 0.00 C ATOM 136 CD GLU A 12 -13.251 -4.937 -11.026 1.00 0.00 C ATOM 137 OE1 GLU A 12 -12.072 -5.174 -10.687 1.00 0.00 O ATOM 138 OE2 GLU A 12 -13.642 -4.665 -12.182 1.00 0.00 O ATOM 0 H GLU A 12 -16.246 -4.621 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.311 -4.967 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.897 -3.082 -9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.165 -3.350 -9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.255 -5.937 -9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.306 -4.926 -10.372 1.00 0.00 H new ATOM 145 N ILE A 13 -12.955 -2.635 -6.317 1.00 0.00 N ATOM 146 CA ILE A 13 -12.770 -1.521 -5.403 1.00 0.00 C ATOM 147 C ILE A 13 -11.872 -0.472 -6.060 1.00 0.00 C ATOM 148 O ILE A 13 -10.827 -0.805 -6.617 1.00 0.00 O ATOM 149 CB ILE A 13 -12.250 -2.017 -4.052 1.00 0.00 C ATOM 150 CG1 ILE A 13 -13.300 -2.872 -3.341 1.00 0.00 C ATOM 151 CG2 ILE A 13 -11.778 -0.849 -3.184 1.00 0.00 C ATOM 152 CD1 ILE A 13 -12.751 -4.265 -3.026 1.00 0.00 C ATOM 0 H ILE A 13 -12.105 -2.946 -6.788 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.724 -1.038 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.384 -2.654 -4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.609 -2.382 -2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.187 -2.960 -3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.413 -1.229 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.974 -0.318 -3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.610 -0.166 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.518 -4.852 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.466 -4.762 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.878 -4.174 -2.379 1.00 0.00 H new ATOM 164 N ASP A 14 -12.311 0.775 -5.974 1.00 0.00 N ATOM 165 CA ASP A 14 -11.560 1.875 -6.553 1.00 0.00 C ATOM 166 C ASP A 14 -10.838 2.637 -5.440 1.00 0.00 C ATOM 167 O ASP A 14 -11.382 2.815 -4.351 1.00 0.00 O ATOM 168 CB ASP A 14 -12.487 2.857 -7.273 1.00 0.00 C ATOM 169 CG ASP A 14 -13.067 2.349 -8.594 1.00 0.00 C ATOM 170 OD1 ASP A 14 -12.992 1.120 -8.812 1.00 0.00 O ATOM 171 OD2 ASP A 14 -13.573 3.200 -9.357 1.00 0.00 O ATOM 0 H ASP A 14 -13.178 1.048 -5.512 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.850 1.458 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.311 3.111 -6.606 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.937 3.778 -7.466 1.00 0.00 H new ATOM 176 N ILE A 15 -9.624 3.066 -5.751 1.00 0.00 N ATOM 177 CA ILE A 15 -8.822 3.804 -4.790 1.00 0.00 C ATOM 178 C ILE A 15 -8.311 5.091 -5.440 1.00 0.00 C ATOM 179 O ILE A 15 -7.352 5.065 -6.209 1.00 0.00 O ATOM 180 CB ILE A 15 -7.710 2.917 -4.226 1.00 0.00 C ATOM 181 CG1 ILE A 15 -8.289 1.669 -3.557 1.00 0.00 C ATOM 182 CG2 ILE A 15 -6.805 3.707 -3.279 1.00 0.00 C ATOM 183 CD1 ILE A 15 -7.377 1.176 -2.432 1.00 0.00 C ATOM 0 H ILE A 15 -9.176 2.917 -6.655 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.429 4.098 -3.934 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.090 2.579 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.278 1.892 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.416 0.880 -4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.023 3.053 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.349 4.537 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.396 4.095 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.812 0.288 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.396 0.930 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.272 1.958 -1.680 1.00 0.00 H new ATOM 195 N PHE A 16 -8.976 6.188 -5.107 1.00 0.00 N ATOM 196 CA PHE A 16 -8.601 7.483 -5.649 1.00 0.00 C ATOM 197 C PHE A 16 -8.973 8.610 -4.683 1.00 0.00 C ATOM 198 O PHE A 16 -9.430 8.353 -3.570 1.00 0.00 O ATOM 199 CB PHE A 16 -9.383 7.666 -6.951 1.00 0.00 C ATOM 200 CG PHE A 16 -10.894 7.801 -6.757 1.00 0.00 C ATOM 201 CD1 PHE A 16 -11.681 6.691 -6.749 1.00 0.00 C ATOM 202 CD2 PHE A 16 -11.452 9.030 -6.591 1.00 0.00 C ATOM 203 CE1 PHE A 16 -13.083 6.816 -6.568 1.00 0.00 C ATOM 204 CE2 PHE A 16 -12.855 9.155 -6.410 1.00 0.00 C ATOM 205 CZ PHE A 16 -13.641 8.045 -6.402 1.00 0.00 C ATOM 0 H PHE A 16 -9.772 6.206 -4.469 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.524 7.520 -5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.012 8.554 -7.463 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.186 6.816 -7.604 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.239 5.715 -6.880 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.828 9.911 -6.597 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.707 5.935 -6.562 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.298 10.131 -6.279 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.708 8.140 -6.264 1.00 0.00 H new ATOM 215 N ASN A 17 -8.763 9.835 -5.143 1.00 0.00 N ATOM 216 CA ASN A 17 -9.070 11.001 -4.334 1.00 0.00 C ATOM 217 C ASN A 17 -8.182 11.001 -3.088 1.00 0.00 C ATOM 218 O ASN A 17 -8.678 10.896 -1.967 1.00 0.00 O ATOM 219 CB ASN A 17 -10.529 10.984 -3.874 1.00 0.00 C ATOM 220 CG ASN A 17 -11.336 12.082 -4.569 1.00 0.00 C ATOM 221 OD1 ASN A 17 -10.800 12.975 -5.204 1.00 0.00 O ATOM 222 ND2 ASN A 17 -12.652 11.967 -4.414 1.00 0.00 N ATOM 0 H ASN A 17 -8.384 10.045 -6.066 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.894 11.888 -4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.971 10.011 -4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.575 11.122 -2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.277 12.651 -4.840 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.036 11.195 -3.869 1.00 0.00 H new ATOM 229 N PRO A 18 -6.849 11.123 -3.332 1.00 0.00 N ATOM 230 CA PRO A 18 -5.887 11.137 -2.244 1.00 0.00 C ATOM 231 C PRO A 18 -5.911 12.479 -1.509 1.00 0.00 C ATOM 232 O PRO A 18 -5.611 13.518 -2.097 1.00 0.00 O ATOM 233 CB PRO A 18 -4.548 10.842 -2.898 1.00 0.00 C ATOM 234 CG PRO A 18 -4.734 11.132 -4.379 1.00 0.00 C ATOM 235 CD PRO A 18 -6.226 11.249 -4.646 1.00 0.00 C ATOM 0 HA PRO A 18 -6.111 10.397 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.761 11.465 -2.474 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.255 9.805 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.223 12.055 -4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.299 10.335 -4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.471 12.204 -5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.569 10.467 -5.324 1.00 0.00 H new ATOM 243 N GLN A 19 -6.268 12.414 -0.235 1.00 0.00 N ATOM 244 CA GLN A 19 -6.335 13.612 0.586 1.00 0.00 C ATOM 245 C GLN A 19 -5.296 13.544 1.707 1.00 0.00 C ATOM 246 O GLN A 19 -5.058 12.479 2.275 1.00 0.00 O ATOM 247 CB GLN A 19 -7.742 13.810 1.152 1.00 0.00 C ATOM 248 CG GLN A 19 -8.305 15.177 0.756 1.00 0.00 C ATOM 249 CD GLN A 19 -7.986 16.231 1.818 1.00 0.00 C ATOM 250 OE1 GLN A 19 -7.716 15.928 2.968 1.00 0.00 O ATOM 251 NE2 GLN A 19 -8.034 17.482 1.370 1.00 0.00 N ATOM 0 H GLN A 19 -6.514 11.551 0.249 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.108 14.474 -0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.400 13.022 0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.716 13.724 2.238 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.886 15.483 -0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.384 15.105 0.623 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.267 17.666 0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.838 18.258 2.002 1.00 0.00 H new ATOM 260 N THR A 20 -4.705 14.695 1.993 1.00 0.00 N ATOM 261 CA THR A 20 -3.698 14.780 3.036 1.00 0.00 C ATOM 262 C THR A 20 -4.173 15.701 4.162 1.00 0.00 C ATOM 263 O THR A 20 -4.664 16.799 3.906 1.00 0.00 O ATOM 264 CB THR A 20 -2.387 15.235 2.392 1.00 0.00 C ATOM 265 OG1 THR A 20 -2.071 14.193 1.473 1.00 0.00 O ATOM 266 CG2 THR A 20 -1.217 15.230 3.378 1.00 0.00 C ATOM 0 H THR A 20 -4.905 15.576 1.520 1.00 0.00 H new ATOM 0 HA THR A 20 -3.528 13.809 3.502 1.00 0.00 H new ATOM 0 HB THR A 20 -2.513 16.238 1.984 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.235 14.408 1.010 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.311 15.561 2.870 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.436 15.905 4.206 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.069 14.221 3.762 1.00 0.00 H new ATOM 412 N THR A 30 -4.520 9.963 2.279 1.00 0.00 N ATOM 413 CA THR A 30 -5.535 8.927 2.372 1.00 0.00 C ATOM 414 C THR A 30 -6.020 8.529 0.977 1.00 0.00 C ATOM 415 O THR A 30 -5.501 9.015 -0.027 1.00 0.00 O ATOM 416 CB THR A 30 -6.653 9.441 3.280 1.00 0.00 C ATOM 417 OG1 THR A 30 -7.213 10.534 2.557 1.00 0.00 O ATOM 418 CG2 THR A 30 -6.119 10.079 4.564 1.00 0.00 C ATOM 0 HA THR A 30 -5.131 8.016 2.813 1.00 0.00 H new ATOM 0 HB THR A 30 -7.320 8.618 3.534 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.512 11.190 2.361 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.954 10.427 5.172 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.544 9.342 5.125 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.478 10.923 4.311 1.00 0.00 H new ATOM 426 N TYR A 31 -7.009 7.648 0.958 1.00 0.00 N ATOM 427 CA TYR A 31 -7.570 7.179 -0.297 1.00 0.00 C ATOM 428 C TYR A 31 -9.044 6.803 -0.133 1.00 0.00 C ATOM 429 O TYR A 31 -9.420 6.163 0.849 1.00 0.00 O ATOM 430 CB TYR A 31 -6.775 5.926 -0.672 1.00 0.00 C ATOM 431 CG TYR A 31 -5.271 6.164 -0.817 1.00 0.00 C ATOM 432 CD1 TYR A 31 -4.779 6.814 -1.931 1.00 0.00 C ATOM 433 CD2 TYR A 31 -4.406 5.730 0.166 1.00 0.00 C ATOM 434 CE1 TYR A 31 -3.363 7.038 -2.068 1.00 0.00 C ATOM 435 CE2 TYR A 31 -2.990 5.954 0.030 1.00 0.00 C ATOM 436 CZ TYR A 31 -2.539 6.596 -1.080 1.00 0.00 C ATOM 437 OH TYR A 31 -1.201 6.808 -1.209 1.00 0.00 O ATOM 0 H TYR A 31 -7.436 7.246 1.793 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.509 7.957 -1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -6.940 5.162 0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.162 5.530 -1.611 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.456 7.155 -2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.791 5.222 1.038 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.965 7.545 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.302 5.620 0.792 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.925 6.608 -2.128 1.00 0.00 H new ATOM 447 N GLU A 32 -9.840 7.215 -1.109 1.00 0.00 N ATOM 448 CA GLU A 32 -11.264 6.930 -1.084 1.00 0.00 C ATOM 449 C GLU A 32 -11.531 5.515 -1.601 1.00 0.00 C ATOM 450 O GLU A 32 -11.529 5.280 -2.808 1.00 0.00 O ATOM 451 CB GLU A 32 -12.045 7.966 -1.896 1.00 0.00 C ATOM 452 CG GLU A 32 -12.317 9.221 -1.065 1.00 0.00 C ATOM 453 CD GLU A 32 -13.753 9.711 -1.265 1.00 0.00 C ATOM 454 OE1 GLU A 32 -14.212 9.663 -2.426 1.00 0.00 O ATOM 455 OE2 GLU A 32 -14.359 10.121 -0.251 1.00 0.00 O ATOM 0 H GLU A 32 -9.525 7.744 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.609 6.990 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.482 8.233 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.989 7.535 -2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.146 9.007 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.618 10.008 -1.348 1.00 0.00 H new ATOM 462 N VAL A 33 -11.753 4.608 -0.661 1.00 0.00 N ATOM 463 CA VAL A 33 -12.021 3.222 -1.006 1.00 0.00 C ATOM 464 C VAL A 33 -13.492 3.073 -1.397 1.00 0.00 C ATOM 465 O VAL A 33 -14.371 3.082 -0.536 1.00 0.00 O ATOM 466 CB VAL A 33 -11.614 2.307 0.151 1.00 0.00 C ATOM 467 CG1 VAL A 33 -11.563 0.845 -0.298 1.00 0.00 C ATOM 468 CG2 VAL A 33 -10.275 2.743 0.751 1.00 0.00 C ATOM 0 H VAL A 33 -11.753 4.806 0.340 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.424 2.921 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.373 2.393 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.271 0.216 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.546 0.540 -0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.835 0.736 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.009 2.076 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.502 2.701 -0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.359 3.763 1.126 1.00 0.00 H new ATOM 478 N ARG A 34 -13.716 2.940 -2.696 1.00 0.00 N ATOM 479 CA ARG A 34 -15.066 2.789 -3.211 1.00 0.00 C ATOM 480 C ARG A 34 -15.291 1.357 -3.699 1.00 0.00 C ATOM 481 O ARG A 34 -14.877 1.000 -4.801 1.00 0.00 O ATOM 482 CB ARG A 34 -15.327 3.760 -4.364 1.00 0.00 C ATOM 483 CG ARG A 34 -16.779 3.672 -4.837 1.00 0.00 C ATOM 484 CD ARG A 34 -16.938 4.272 -6.236 1.00 0.00 C ATOM 485 NE ARG A 34 -16.847 3.206 -7.258 1.00 0.00 N ATOM 486 CZ ARG A 34 -16.868 3.428 -8.579 1.00 0.00 C ATOM 487 NH1 ARG A 34 -16.977 4.679 -9.047 1.00 0.00 N ATOM 488 NH2 ARG A 34 -16.780 2.399 -9.433 1.00 0.00 N ATOM 0 H ARG A 34 -12.985 2.934 -3.407 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.758 3.012 -2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.106 4.778 -4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -14.656 3.534 -5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.100 2.630 -4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.426 4.199 -4.136 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.898 4.782 -6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.165 5.020 -6.410 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.763 2.242 -6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.044 5.463 -8.397 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.993 4.848 -10.053 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.697 1.447 -9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.796 2.568 -10.439 1.00 0.00 H new ATOM 502 N MET A 35 -15.946 0.573 -2.855 1.00 0.00 N ATOM 503 CA MET A 35 -16.231 -0.812 -3.186 1.00 0.00 C ATOM 504 C MET A 35 -17.629 -0.954 -3.793 1.00 0.00 C ATOM 505 O MET A 35 -18.556 -0.251 -3.395 1.00 0.00 O ATOM 506 CB MET A 35 -16.132 -1.670 -1.924 1.00 0.00 C ATOM 507 CG MET A 35 -16.368 -3.148 -2.245 1.00 0.00 C ATOM 508 SD MET A 35 -16.987 -3.995 -0.801 1.00 0.00 S ATOM 509 CE MET A 35 -18.717 -4.106 -1.224 1.00 0.00 C ATOM 0 H MET A 35 -16.288 0.872 -1.941 1.00 0.00 H new ATOM 0 HA MET A 35 -15.500 -1.148 -3.922 1.00 0.00 H new ATOM 0 HB2 MET A 35 -15.148 -1.545 -1.471 1.00 0.00 H new ATOM 0 HB3 MET A 35 -16.865 -1.332 -1.192 1.00 0.00 H new ATOM 0 HG2 MET A 35 -17.080 -3.241 -3.065 1.00 0.00 H new ATOM 0 HG3 MET A 35 -15.438 -3.610 -2.577 1.00 0.00 H new ATOM 0 HE1 MET A 35 -19.321 -3.953 -0.329 1.00 0.00 H new ATOM 0 HE2 MET A 35 -18.961 -3.341 -1.962 1.00 0.00 H new ATOM 0 HE3 MET A 35 -18.927 -5.091 -1.640 1.00 0.00 H new ATOM 519 N ARG A 36 -17.736 -1.870 -4.745 1.00 0.00 N ATOM 520 CA ARG A 36 -19.004 -2.113 -5.409 1.00 0.00 C ATOM 521 C ARG A 36 -19.171 -3.605 -5.706 1.00 0.00 C ATOM 522 O ARG A 36 -18.216 -4.273 -6.100 1.00 0.00 O ATOM 523 CB ARG A 36 -19.100 -1.327 -6.718 1.00 0.00 C ATOM 524 CG ARG A 36 -20.427 -0.570 -6.808 1.00 0.00 C ATOM 525 CD ARG A 36 -20.577 0.115 -8.167 1.00 0.00 C ATOM 526 NE ARG A 36 -21.903 0.767 -8.262 1.00 0.00 N ATOM 527 CZ ARG A 36 -22.397 1.304 -9.386 1.00 0.00 C ATOM 528 NH1 ARG A 36 -21.678 1.272 -10.516 1.00 0.00 N ATOM 529 NH2 ARG A 36 -23.609 1.875 -9.379 1.00 0.00 N ATOM 0 H ARG A 36 -16.965 -2.452 -5.072 1.00 0.00 H new ATOM 0 HA ARG A 36 -19.797 -1.781 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.271 -0.623 -6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.008 -2.009 -7.563 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -21.255 -1.261 -6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -20.479 0.175 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -19.788 0.856 -8.299 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -20.464 -0.617 -8.967 1.00 0.00 H new ATOM 0 HE ARG A 36 -22.476 0.810 -7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -20.755 0.839 -10.521 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -22.054 1.681 -11.372 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -24.156 1.901 -8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -23.985 2.284 -10.234 1.00 0.00 H new ATOM 543 N THR A 37 -20.390 -4.084 -5.504 1.00 0.00 N ATOM 544 CA THR A 37 -20.693 -5.484 -5.744 1.00 0.00 C ATOM 545 C THR A 37 -22.207 -5.707 -5.758 1.00 0.00 C ATOM 546 O THR A 37 -22.972 -4.816 -5.392 1.00 0.00 O ATOM 547 CB THR A 37 -19.966 -6.314 -4.684 1.00 0.00 C ATOM 548 OG1 THR A 37 -19.985 -7.639 -5.207 1.00 0.00 O ATOM 549 CG2 THR A 37 -20.757 -6.418 -3.378 1.00 0.00 C ATOM 0 H THR A 37 -21.179 -3.527 -5.177 1.00 0.00 H new ATOM 0 HA THR A 37 -20.340 -5.803 -6.725 1.00 0.00 H new ATOM 0 HB THR A 37 -18.990 -5.872 -4.484 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.795 -7.614 -6.168 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.197 -7.017 -2.660 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.919 -5.420 -2.970 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.720 -6.891 -3.572 1.00 0.00 H new ATOM 557 N ASN A 38 -22.593 -6.901 -6.184 1.00 0.00 N ATOM 558 CA ASN A 38 -24.001 -7.252 -6.250 1.00 0.00 C ATOM 559 C ASN A 38 -24.243 -8.528 -5.440 1.00 0.00 C ATOM 560 O ASN A 38 -25.330 -9.101 -5.488 1.00 0.00 O ATOM 561 CB ASN A 38 -24.435 -7.518 -7.693 1.00 0.00 C ATOM 562 CG ASN A 38 -23.677 -8.709 -8.282 1.00 0.00 C ATOM 563 OD1 ASN A 38 -22.538 -8.984 -7.941 1.00 0.00 O ATOM 564 ND2 ASN A 38 -24.369 -9.398 -9.185 1.00 0.00 N ATOM 0 H ASN A 38 -21.955 -7.637 -6.487 1.00 0.00 H new ATOM 0 HA ASN A 38 -24.576 -6.417 -5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -25.507 -7.713 -7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -24.255 -6.631 -8.300 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -23.950 -10.210 -9.638 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -25.319 -9.114 -9.425 1.00 0.00 H new ATOM 571 N LEU A 39 -23.211 -8.935 -4.716 1.00 0.00 N ATOM 572 CA LEU A 39 -23.298 -10.132 -3.897 1.00 0.00 C ATOM 573 C LEU A 39 -24.133 -9.833 -2.651 1.00 0.00 C ATOM 574 O LEU A 39 -24.196 -8.690 -2.200 1.00 0.00 O ATOM 575 CB LEU A 39 -21.900 -10.671 -3.586 1.00 0.00 C ATOM 576 CG LEU A 39 -20.927 -10.733 -4.765 1.00 0.00 C ATOM 577 CD1 LEU A 39 -19.551 -11.228 -4.316 1.00 0.00 C ATOM 578 CD2 LEU A 39 -21.499 -11.582 -5.903 1.00 0.00 C ATOM 0 H LEU A 39 -22.310 -8.457 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 39 -23.808 -10.928 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -21.457 -10.049 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -22.003 -11.674 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 39 -20.794 -9.723 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.879 -11.262 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.147 -10.549 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.645 -12.226 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -20.788 -11.610 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -21.680 -12.596 -5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -22.437 -11.146 -6.246 1.00 0.00 H new ATOM 590 N PRO A 40 -24.771 -10.908 -2.114 1.00 0.00 N ATOM 591 CA PRO A 40 -25.600 -10.772 -0.929 1.00 0.00 C ATOM 592 C PRO A 40 -24.739 -10.613 0.326 1.00 0.00 C ATOM 593 O PRO A 40 -25.087 -9.853 1.229 1.00 0.00 O ATOM 594 CB PRO A 40 -26.460 -12.025 -0.904 1.00 0.00 C ATOM 595 CG PRO A 40 -25.761 -13.028 -1.808 1.00 0.00 C ATOM 596 CD PRO A 40 -24.720 -12.276 -2.621 1.00 0.00 C ATOM 0 HA PRO A 40 -26.223 -9.878 -0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.555 -12.413 0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.468 -11.814 -1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.289 -13.812 -1.216 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.481 -13.515 -2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.728 -12.709 -2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -24.948 -12.312 -3.686 1.00 0.00 H new ATOM 604 N ILE A 41 -23.633 -11.341 0.343 1.00 0.00 N ATOM 605 CA ILE A 41 -22.720 -11.291 1.472 1.00 0.00 C ATOM 606 C ILE A 41 -22.638 -9.854 1.992 1.00 0.00 C ATOM 607 O ILE A 41 -22.676 -9.624 3.200 1.00 0.00 O ATOM 608 CB ILE A 41 -21.363 -11.885 1.092 1.00 0.00 C ATOM 609 CG1 ILE A 41 -20.534 -10.885 0.283 1.00 0.00 C ATOM 610 CG2 ILE A 41 -21.534 -13.216 0.355 1.00 0.00 C ATOM 611 CD1 ILE A 41 -19.094 -11.376 0.116 1.00 0.00 C ATOM 0 H ILE A 41 -23.348 -11.970 -0.408 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.093 -11.907 2.290 1.00 0.00 H new ATOM 0 HB ILE A 41 -20.812 -12.093 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -20.988 -10.739 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -20.536 -9.916 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.554 -13.617 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -22.057 -13.923 0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.113 -13.056 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -18.526 -10.647 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -18.635 -11.498 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -19.094 -12.333 -0.406 1.00 0.00 H new ATOM 623 N PHE A 42 -22.527 -8.925 1.054 1.00 0.00 N ATOM 624 CA PHE A 42 -22.439 -7.517 1.402 1.00 0.00 C ATOM 625 C PHE A 42 -23.830 -6.921 1.632 1.00 0.00 C ATOM 626 O PHE A 42 -24.770 -7.232 0.902 1.00 0.00 O ATOM 627 CB PHE A 42 -21.781 -6.804 0.220 1.00 0.00 C ATOM 628 CG PHE A 42 -20.297 -7.133 0.043 1.00 0.00 C ATOM 629 CD1 PHE A 42 -19.924 -8.237 -0.658 1.00 0.00 C ATOM 630 CD2 PHE A 42 -19.351 -6.321 0.586 1.00 0.00 C ATOM 631 CE1 PHE A 42 -18.547 -8.542 -0.823 1.00 0.00 C ATOM 632 CE2 PHE A 42 -17.974 -6.626 0.422 1.00 0.00 C ATOM 633 CZ PHE A 42 -17.601 -7.730 -0.279 1.00 0.00 C ATOM 0 H PHE A 42 -22.496 -9.120 0.053 1.00 0.00 H new ATOM 0 HA PHE A 42 -21.865 -7.396 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.313 -7.070 -0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.891 -5.728 0.351 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.675 -8.882 -1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.647 -5.444 1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.251 -9.418 -1.380 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.223 -5.981 0.854 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.554 -7.962 -0.404 1.00 0.00 H new ATOM 643 N LYS A 43 -23.916 -6.076 2.648 1.00 0.00 N ATOM 644 CA LYS A 43 -25.176 -5.433 2.982 1.00 0.00 C ATOM 645 C LYS A 43 -25.406 -4.250 2.040 1.00 0.00 C ATOM 646 O LYS A 43 -26.524 -4.030 1.577 1.00 0.00 O ATOM 647 CB LYS A 43 -25.207 -5.054 4.465 1.00 0.00 C ATOM 648 CG LYS A 43 -26.639 -5.066 5.003 1.00 0.00 C ATOM 649 CD LYS A 43 -26.665 -5.457 6.483 1.00 0.00 C ATOM 650 CE LYS A 43 -28.101 -5.659 6.971 1.00 0.00 C ATOM 651 NZ LYS A 43 -28.259 -5.135 8.346 1.00 0.00 N ATOM 0 H LYS A 43 -23.134 -5.821 3.251 1.00 0.00 H new ATOM 0 HA LYS A 43 -26.007 -6.123 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.594 -5.752 5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.772 -4.064 4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -27.088 -4.081 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -27.242 -5.768 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -26.094 -6.374 6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -26.181 -4.681 7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -28.794 -5.152 6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -28.354 -6.719 6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -29.239 -5.280 8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.611 -5.638 8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -28.038 -4.119 8.358 1.00 0.00 H new ATOM 665 N LEU A 44 -24.331 -3.520 1.785 1.00 0.00 N ATOM 666 CA LEU A 44 -24.402 -2.365 0.907 1.00 0.00 C ATOM 667 C LEU A 44 -23.807 -2.728 -0.456 1.00 0.00 C ATOM 668 O LEU A 44 -22.874 -3.526 -0.537 1.00 0.00 O ATOM 669 CB LEU A 44 -23.740 -1.151 1.562 1.00 0.00 C ATOM 670 CG LEU A 44 -23.972 -0.991 3.066 1.00 0.00 C ATOM 671 CD1 LEU A 44 -23.219 0.223 3.611 1.00 0.00 C ATOM 672 CD2 LEU A 44 -25.467 -0.930 3.386 1.00 0.00 C ATOM 0 H LEU A 44 -23.405 -3.706 2.171 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.440 -2.080 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.666 -1.208 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -24.099 -0.252 1.061 1.00 0.00 H new ATOM 0 HG LEU A 44 -23.570 -1.871 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -23.401 0.314 4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -22.151 0.098 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -23.568 1.124 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -25.605 -0.816 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.915 -0.080 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.948 -1.850 3.054 1.00 0.00 H new ATOM 684 N LYS A 45 -24.372 -2.126 -1.492 1.00 0.00 N ATOM 685 CA LYS A 45 -23.910 -2.376 -2.846 1.00 0.00 C ATOM 686 C LYS A 45 -22.692 -1.497 -3.135 1.00 0.00 C ATOM 687 O LYS A 45 -21.780 -1.909 -3.851 1.00 0.00 O ATOM 688 CB LYS A 45 -25.053 -2.191 -3.846 1.00 0.00 C ATOM 689 CG LYS A 45 -26.261 -3.047 -3.462 1.00 0.00 C ATOM 690 CD LYS A 45 -26.012 -4.523 -3.781 1.00 0.00 C ATOM 691 CE LYS A 45 -27.330 -5.290 -3.893 1.00 0.00 C ATOM 692 NZ LYS A 45 -27.282 -6.241 -5.027 1.00 0.00 N ATOM 0 H LYS A 45 -25.146 -1.465 -1.421 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.589 -3.412 -2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.343 -1.141 -3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.714 -2.462 -4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.470 -2.931 -2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.143 -2.699 -3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -25.457 -4.608 -4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.394 -4.968 -3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -27.523 -5.830 -2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -28.154 -4.590 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -28.185 -6.754 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -27.119 -5.719 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -26.508 -6.920 -4.878 1.00 0.00 H new ATOM 706 N GLU A 46 -22.716 -0.301 -2.564 1.00 0.00 N ATOM 707 CA GLU A 46 -21.625 0.640 -2.752 1.00 0.00 C ATOM 708 C GLU A 46 -21.397 1.450 -1.474 1.00 0.00 C ATOM 709 O GLU A 46 -22.338 1.717 -0.728 1.00 0.00 O ATOM 710 CB GLU A 46 -21.894 1.561 -3.943 1.00 0.00 C ATOM 711 CG GLU A 46 -20.690 2.462 -4.223 1.00 0.00 C ATOM 712 CD GLU A 46 -20.935 3.881 -3.707 1.00 0.00 C ATOM 713 OE1 GLU A 46 -21.384 3.993 -2.546 1.00 0.00 O ATOM 714 OE2 GLU A 46 -20.667 4.822 -4.485 1.00 0.00 O ATOM 0 H GLU A 46 -23.474 0.038 -1.971 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.718 0.076 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -22.118 0.963 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -22.772 2.174 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -19.802 2.046 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -20.494 2.490 -5.295 1.00 0.00 H new ATOM 721 N SER A 47 -20.142 1.817 -1.260 1.00 0.00 N ATOM 722 CA SER A 47 -19.778 2.590 -0.085 1.00 0.00 C ATOM 723 C SER A 47 -18.482 3.359 -0.346 1.00 0.00 C ATOM 724 O SER A 47 -17.717 3.008 -1.243 1.00 0.00 O ATOM 725 CB SER A 47 -19.623 1.688 1.141 1.00 0.00 C ATOM 726 OG SER A 47 -18.578 0.734 0.973 1.00 0.00 O ATOM 0 H SER A 47 -19.364 1.593 -1.881 1.00 0.00 H new ATOM 0 HA SER A 47 -20.579 3.300 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.417 2.301 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.562 1.168 1.329 1.00 0.00 H new ATOM 0 HG SER A 47 -18.947 -0.171 1.043 1.00 0.00 H new ATOM 732 N CYS A 48 -18.274 4.394 0.455 1.00 0.00 N ATOM 733 CA CYS A 48 -17.083 5.216 0.322 1.00 0.00 C ATOM 734 C CYS A 48 -16.526 5.485 1.722 1.00 0.00 C ATOM 735 O CYS A 48 -17.189 6.110 2.548 1.00 0.00 O ATOM 736 CB CYS A 48 -17.373 6.514 -0.435 1.00 0.00 C ATOM 737 SG CYS A 48 -17.593 6.162 -2.218 1.00 0.00 S ATOM 0 H CYS A 48 -18.910 4.682 1.198 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.337 4.686 -0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -18.271 6.985 -0.035 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -16.553 7.218 -0.293 1.00 0.00 H new ATOM 0 HG CYS A 48 -16.599 5.440 -2.644 1.00 0.00 H new ATOM 743 N VAL A 49 -15.314 4.998 1.945 1.00 0.00 N ATOM 744 CA VAL A 49 -14.661 5.177 3.230 1.00 0.00 C ATOM 745 C VAL A 49 -13.182 5.499 3.005 1.00 0.00 C ATOM 746 O VAL A 49 -12.640 5.229 1.934 1.00 0.00 O ATOM 747 CB VAL A 49 -14.877 3.941 4.104 1.00 0.00 C ATOM 748 CG1 VAL A 49 -16.353 3.780 4.472 1.00 0.00 C ATOM 749 CG2 VAL A 49 -14.343 2.683 3.416 1.00 0.00 C ATOM 0 H VAL A 49 -14.767 4.480 1.257 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.099 6.018 3.767 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.315 4.082 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.478 2.893 5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -16.689 4.659 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.945 3.672 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.509 1.818 4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -14.864 2.537 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.275 2.796 3.229 1.00 0.00 H new ATOM 759 N ARG A 50 -12.571 6.072 4.031 1.00 0.00 N ATOM 760 CA ARG A 50 -11.165 6.434 3.959 1.00 0.00 C ATOM 761 C ARG A 50 -10.314 5.411 4.714 1.00 0.00 C ATOM 762 O ARG A 50 -10.516 5.191 5.908 1.00 0.00 O ATOM 763 CB ARG A 50 -10.923 7.824 4.549 1.00 0.00 C ATOM 764 CG ARG A 50 -10.690 8.856 3.444 1.00 0.00 C ATOM 765 CD ARG A 50 -11.084 10.259 3.911 1.00 0.00 C ATOM 766 NE ARG A 50 -12.215 10.763 3.101 1.00 0.00 N ATOM 767 CZ ARG A 50 -12.742 11.989 3.226 1.00 0.00 C ATOM 768 NH1 ARG A 50 -12.243 12.843 4.130 1.00 0.00 N ATOM 769 NH2 ARG A 50 -13.768 12.361 2.448 1.00 0.00 N ATOM 0 H ARG A 50 -13.024 6.295 4.917 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.879 6.444 2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.780 8.121 5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.059 7.796 5.213 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.640 8.848 3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.270 8.586 2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.362 10.236 4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.233 10.934 3.821 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.619 10.138 2.404 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.462 12.560 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.644 13.776 4.226 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.148 11.711 1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.168 13.294 2.544 1.00 0.00 H new ATOM 783 N ARG A 51 -9.381 4.814 3.989 1.00 0.00 N ATOM 784 CA ARG A 51 -8.499 3.819 4.576 1.00 0.00 C ATOM 785 C ARG A 51 -7.036 4.204 4.342 1.00 0.00 C ATOM 786 O ARG A 51 -6.675 4.654 3.256 1.00 0.00 O ATOM 787 CB ARG A 51 -8.756 2.434 3.979 1.00 0.00 C ATOM 788 CG ARG A 51 -9.806 1.674 4.792 1.00 0.00 C ATOM 789 CD ARG A 51 -9.199 1.109 6.079 1.00 0.00 C ATOM 790 NE ARG A 51 -9.920 1.644 7.255 1.00 0.00 N ATOM 791 CZ ARG A 51 -11.060 1.129 7.737 1.00 0.00 C ATOM 792 NH1 ARG A 51 -11.615 0.062 7.145 1.00 0.00 N ATOM 793 NH2 ARG A 51 -11.644 1.680 8.809 1.00 0.00 N ATOM 0 H ARG A 51 -9.216 5.000 3.000 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.703 3.784 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.093 2.535 2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.826 1.865 3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.633 2.340 5.038 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.218 0.862 4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.257 0.021 6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.143 1.372 6.139 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.525 2.456 7.729 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.170 -0.357 6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.482 -0.331 7.511 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.221 2.492 9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.511 1.288 9.175 1.00 0.00 H new ATOM 807 N ARG A 52 -6.235 4.012 5.380 1.00 0.00 N ATOM 808 CA ARG A 52 -4.820 4.333 5.302 1.00 0.00 C ATOM 809 C ARG A 52 -4.026 3.119 4.817 1.00 0.00 C ATOM 810 O ARG A 52 -4.506 1.989 4.891 1.00 0.00 O ATOM 811 CB ARG A 52 -4.280 4.777 6.663 1.00 0.00 C ATOM 812 CG ARG A 52 -4.486 6.279 6.871 1.00 0.00 C ATOM 813 CD ARG A 52 -4.151 6.684 8.308 1.00 0.00 C ATOM 814 NE ARG A 52 -5.096 6.042 9.248 1.00 0.00 N ATOM 815 CZ ARG A 52 -5.318 6.469 10.499 1.00 0.00 C ATOM 816 NH1 ARG A 52 -4.664 7.541 10.967 1.00 0.00 N ATOM 817 NH2 ARG A 52 -6.194 5.825 11.281 1.00 0.00 N ATOM 0 H ARG A 52 -6.539 3.638 6.279 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.705 5.153 4.593 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.783 4.224 7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.219 4.539 6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.857 6.836 6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.520 6.543 6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.129 6.390 8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.203 7.768 8.411 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.611 5.223 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.997 8.032 10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.833 7.866 11.919 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.692 5.009 10.925 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.363 6.150 12.233 1.00 0.00 H new ATOM 831 N TYR A 53 -2.824 3.393 4.331 1.00 0.00 N ATOM 832 CA TYR A 53 -1.959 2.336 3.835 1.00 0.00 C ATOM 833 C TYR A 53 -1.630 1.331 4.941 1.00 0.00 C ATOM 834 O TYR A 53 -1.374 0.160 4.665 1.00 0.00 O ATOM 835 CB TYR A 53 -0.668 3.024 3.387 1.00 0.00 C ATOM 836 CG TYR A 53 0.519 2.073 3.220 1.00 0.00 C ATOM 837 CD1 TYR A 53 0.415 0.981 2.382 1.00 0.00 C ATOM 838 CD2 TYR A 53 1.693 2.306 3.907 1.00 0.00 C ATOM 839 CE1 TYR A 53 1.532 0.085 2.225 1.00 0.00 C ATOM 840 CE2 TYR A 53 2.809 1.410 3.750 1.00 0.00 C ATOM 841 CZ TYR A 53 2.674 0.344 2.917 1.00 0.00 C ATOM 842 OH TYR A 53 3.729 -0.501 2.769 1.00 0.00 O ATOM 0 H TYR A 53 -2.429 4.331 4.270 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.445 1.790 3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.849 3.532 2.440 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.406 3.791 4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.504 0.798 1.844 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.775 3.160 4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.464 -0.773 1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.733 1.581 4.282 1.00 0.00 H new ATOM 0 HH TYR A 53 4.476 -0.191 3.322 1.00 0.00 H new ATOM 852 N SER A 54 -1.648 1.826 6.170 1.00 0.00 N ATOM 853 CA SER A 54 -1.355 0.986 7.319 1.00 0.00 C ATOM 854 C SER A 54 -2.593 0.173 7.702 1.00 0.00 C ATOM 855 O SER A 54 -2.488 -1.010 8.022 1.00 0.00 O ATOM 856 CB SER A 54 -0.881 1.825 8.508 1.00 0.00 C ATOM 857 OG SER A 54 0.411 1.429 8.959 1.00 0.00 O ATOM 0 H SER A 54 -1.861 2.798 6.395 1.00 0.00 H new ATOM 0 HA SER A 54 -0.550 0.303 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.859 2.877 8.224 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.595 1.731 9.326 1.00 0.00 H new ATOM 0 HG SER A 54 0.679 1.989 9.717 1.00 0.00 H new ATOM 863 N ASP A 55 -3.737 0.840 7.657 1.00 0.00 N ATOM 864 CA ASP A 55 -4.993 0.194 7.995 1.00 0.00 C ATOM 865 C ASP A 55 -5.055 -1.178 7.320 1.00 0.00 C ATOM 866 O ASP A 55 -5.502 -2.152 7.924 1.00 0.00 O ATOM 867 CB ASP A 55 -6.186 1.017 7.504 1.00 0.00 C ATOM 868 CG ASP A 55 -6.411 2.336 8.246 1.00 0.00 C ATOM 869 OD1 ASP A 55 -5.653 2.582 9.209 1.00 0.00 O ATOM 870 OD2 ASP A 55 -7.335 3.069 7.833 1.00 0.00 O ATOM 0 H ASP A 55 -3.820 1.821 7.391 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.042 0.100 9.080 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.048 1.233 6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.087 0.410 7.591 1.00 0.00 H new ATOM 875 N PHE A 56 -4.600 -1.210 6.076 1.00 0.00 N ATOM 876 CA PHE A 56 -4.598 -2.446 5.312 1.00 0.00 C ATOM 877 C PHE A 56 -3.703 -3.497 5.972 1.00 0.00 C ATOM 878 O PHE A 56 -4.061 -4.673 6.032 1.00 0.00 O ATOM 879 CB PHE A 56 -4.038 -2.115 3.927 1.00 0.00 C ATOM 880 CG PHE A 56 -5.052 -1.459 2.987 1.00 0.00 C ATOM 881 CD1 PHE A 56 -5.990 -2.219 2.362 1.00 0.00 C ATOM 882 CD2 PHE A 56 -5.015 -0.116 2.778 1.00 0.00 C ATOM 883 CE1 PHE A 56 -6.931 -1.611 1.489 1.00 0.00 C ATOM 884 CE2 PHE A 56 -5.956 0.493 1.905 1.00 0.00 C ATOM 885 CZ PHE A 56 -6.894 -0.267 1.280 1.00 0.00 C ATOM 0 H PHE A 56 -4.230 -0.400 5.578 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.609 -2.851 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.181 -1.451 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.671 -3.032 3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.020 -3.286 2.529 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.270 0.488 3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.675 -2.215 0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.926 1.560 1.738 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.610 0.196 0.617 1.00 0.00 H new ATOM 895 N GLU A 57 -2.557 -3.036 6.451 1.00 0.00 N ATOM 896 CA GLU A 57 -1.609 -3.922 7.105 1.00 0.00 C ATOM 897 C GLU A 57 -2.283 -4.661 8.262 1.00 0.00 C ATOM 898 O GLU A 57 -1.850 -5.746 8.647 1.00 0.00 O ATOM 899 CB GLU A 57 -0.381 -3.149 7.590 1.00 0.00 C ATOM 900 CG GLU A 57 0.838 -3.451 6.716 1.00 0.00 C ATOM 901 CD GLU A 57 2.095 -3.629 7.571 1.00 0.00 C ATOM 902 OE1 GLU A 57 2.667 -2.589 7.962 1.00 0.00 O ATOM 903 OE2 GLU A 57 2.454 -4.801 7.813 1.00 0.00 O ATOM 0 H GLU A 57 -2.264 -2.061 6.399 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.270 -4.659 6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.590 -2.079 7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.165 -3.414 8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.658 -4.355 6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.990 -2.639 6.004 1.00 0.00 H new ATOM 910 N TRP A 58 -3.334 -4.045 8.784 1.00 0.00 N ATOM 911 CA TRP A 58 -4.072 -4.631 9.889 1.00 0.00 C ATOM 912 C TRP A 58 -5.007 -5.700 9.319 1.00 0.00 C ATOM 913 O TRP A 58 -5.100 -6.801 9.860 1.00 0.00 O ATOM 914 CB TRP A 58 -4.811 -3.555 10.687 1.00 0.00 C ATOM 915 CG TRP A 58 -5.762 -4.111 11.750 1.00 0.00 C ATOM 916 CD1 TRP A 58 -5.520 -4.301 13.054 1.00 0.00 C ATOM 917 CD2 TRP A 58 -7.124 -4.542 11.544 1.00 0.00 C ATOM 918 NE1 TRP A 58 -6.622 -4.822 13.701 1.00 0.00 N ATOM 919 CE2 TRP A 58 -7.628 -4.973 12.754 1.00 0.00 C ATOM 920 CE3 TRP A 58 -7.903 -4.567 10.375 1.00 0.00 C ATOM 921 CZ2 TRP A 58 -8.931 -5.460 12.912 1.00 0.00 C ATOM 922 CZ3 TRP A 58 -9.203 -5.057 10.549 1.00 0.00 C ATOM 923 CH2 TRP A 58 -9.726 -5.495 11.760 1.00 0.00 C ATOM 0 H TRP A 58 -3.692 -3.146 8.462 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.393 -5.104 10.598 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.079 -2.909 11.172 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.379 -2.931 9.997 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.581 -4.075 13.538 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.686 -5.054 14.692 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.529 -4.235 9.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -9.303 -5.791 13.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.845 -5.097 9.681 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.741 -5.861 11.812 1.00 0.00 H new ATOM 934 N LEU A 59 -5.675 -5.338 8.234 1.00 0.00 N ATOM 935 CA LEU A 59 -6.599 -6.253 7.585 1.00 0.00 C ATOM 936 C LEU A 59 -5.819 -7.438 7.012 1.00 0.00 C ATOM 937 O LEU A 59 -6.121 -8.590 7.317 1.00 0.00 O ATOM 938 CB LEU A 59 -7.444 -5.513 6.546 1.00 0.00 C ATOM 939 CG LEU A 59 -7.719 -6.268 5.244 1.00 0.00 C ATOM 940 CD1 LEU A 59 -8.673 -7.440 5.481 1.00 0.00 C ATOM 941 CD2 LEU A 59 -8.234 -5.320 4.159 1.00 0.00 C ATOM 0 H LEU A 59 -5.595 -4.424 7.788 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.307 -6.657 8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.400 -5.254 7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.944 -4.576 6.301 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.778 -6.686 4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.852 -7.960 4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.230 -8.131 6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.618 -7.066 5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.422 -5.882 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.160 -4.852 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.488 -4.549 3.965 1.00 0.00 H new ATOM 953 N LYS A 60 -4.831 -7.113 6.191 1.00 0.00 N ATOM 954 CA LYS A 60 -4.006 -8.136 5.572 1.00 0.00 C ATOM 955 C LYS A 60 -3.682 -9.218 6.605 1.00 0.00 C ATOM 956 O LYS A 60 -3.883 -10.404 6.350 1.00 0.00 O ATOM 957 CB LYS A 60 -2.767 -7.509 4.930 1.00 0.00 C ATOM 958 CG LYS A 60 -1.992 -8.542 4.109 1.00 0.00 C ATOM 959 CD LYS A 60 -0.488 -8.264 4.157 1.00 0.00 C ATOM 960 CE LYS A 60 0.314 -9.530 3.844 1.00 0.00 C ATOM 961 NZ LYS A 60 1.156 -9.909 5.001 1.00 0.00 N ATOM 0 H LYS A 60 -4.583 -6.156 5.940 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.547 -8.621 4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.066 -6.680 4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.121 -7.096 5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.193 -9.542 4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.336 -8.523 3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.236 -7.483 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.215 -7.891 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.365 -10.346 3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.942 -9.363 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.693 -10.769 4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.817 -9.136 5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.550 -10.089 5.827 1.00 0.00 H new ATOM 975 N ASN A 61 -3.186 -8.769 7.749 1.00 0.00 N ATOM 976 CA ASN A 61 -2.833 -9.684 8.821 1.00 0.00 C ATOM 977 C ASN A 61 -4.079 -10.458 9.256 1.00 0.00 C ATOM 978 O ASN A 61 -4.046 -11.683 9.366 1.00 0.00 O ATOM 979 CB ASN A 61 -2.299 -8.926 10.038 1.00 0.00 C ATOM 980 CG ASN A 61 -1.559 -9.868 10.989 1.00 0.00 C ATOM 981 OD1 ASN A 61 -1.152 -10.961 10.630 1.00 0.00 O ATOM 982 ND2 ASN A 61 -1.408 -9.386 12.220 1.00 0.00 N ATOM 0 H ASN A 61 -3.020 -7.784 7.957 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.062 -10.358 8.449 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.627 -8.132 9.711 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.125 -8.447 10.564 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.927 -9.940 12.929 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.773 -8.463 12.455 1.00 0.00 H new ATOM 989 N GLU A 62 -5.148 -9.712 9.492 1.00 0.00 N ATOM 990 CA GLU A 62 -6.402 -10.313 9.913 1.00 0.00 C ATOM 991 C GLU A 62 -6.748 -11.503 9.016 1.00 0.00 C ATOM 992 O GLU A 62 -7.474 -12.406 9.428 1.00 0.00 O ATOM 993 CB GLU A 62 -7.532 -9.281 9.914 1.00 0.00 C ATOM 994 CG GLU A 62 -7.663 -8.613 11.284 1.00 0.00 C ATOM 995 CD GLU A 62 -8.698 -9.336 12.149 1.00 0.00 C ATOM 996 OE1 GLU A 62 -9.902 -9.159 11.861 1.00 0.00 O ATOM 997 OE2 GLU A 62 -8.262 -10.049 13.078 1.00 0.00 O ATOM 0 H GLU A 62 -5.172 -8.696 9.400 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.284 -10.675 10.934 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.339 -8.524 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.472 -9.766 9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.697 -8.616 11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.954 -7.570 11.158 1.00 0.00 H new ATOM 1004 N LEU A 63 -6.211 -11.466 7.805 1.00 0.00 N ATOM 1005 CA LEU A 63 -6.454 -12.530 6.846 1.00 0.00 C ATOM 1006 C LEU A 63 -5.376 -13.605 6.999 1.00 0.00 C ATOM 1007 O LEU A 63 -5.637 -14.787 6.783 1.00 0.00 O ATOM 1008 CB LEU A 63 -6.558 -11.962 5.429 1.00 0.00 C ATOM 1009 CG LEU A 63 -7.727 -11.009 5.173 1.00 0.00 C ATOM 1010 CD1 LEU A 63 -7.375 -9.987 4.091 1.00 0.00 C ATOM 1011 CD2 LEU A 63 -9.002 -11.785 4.834 1.00 0.00 C ATOM 0 H LEU A 63 -5.609 -10.716 7.466 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.413 -13.008 7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.630 -11.437 5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.634 -12.795 4.730 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.921 -10.453 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.223 -9.322 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.512 -9.403 4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.139 -10.507 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.818 -11.084 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.836 -12.384 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.261 -12.440 5.666 1.00 0.00 H new ATOM 1023 N GLU A 64 -4.186 -13.155 7.372 1.00 0.00 N ATOM 1024 CA GLU A 64 -3.067 -14.064 7.557 1.00 0.00 C ATOM 1025 C GLU A 64 -3.068 -14.623 8.981 1.00 0.00 C ATOM 1026 O GLU A 64 -2.020 -14.709 9.619 1.00 0.00 O ATOM 1027 CB GLU A 64 -1.740 -13.371 7.241 1.00 0.00 C ATOM 1028 CG GLU A 64 -1.618 -13.076 5.744 1.00 0.00 C ATOM 1029 CD GLU A 64 -0.664 -14.061 5.067 1.00 0.00 C ATOM 1030 OE1 GLU A 64 0.503 -14.117 5.511 1.00 0.00 O ATOM 1031 OE2 GLU A 64 -1.123 -14.737 4.121 1.00 0.00 O ATOM 0 H GLU A 64 -3.973 -12.174 7.551 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.180 -14.895 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.668 -12.441 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.911 -14.003 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.601 -13.137 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.258 -12.057 5.599 1.00 0.00 H new ATOM 1107 N ILE A 69 -6.050 -18.794 4.042 1.00 0.00 N ATOM 1108 CA ILE A 69 -6.334 -17.662 3.176 1.00 0.00 C ATOM 1109 C ILE A 69 -5.024 -17.140 2.581 1.00 0.00 C ATOM 1110 O ILE A 69 -4.026 -17.009 3.288 1.00 0.00 O ATOM 1111 CB ILE A 69 -7.135 -16.599 3.929 1.00 0.00 C ATOM 1112 CG1 ILE A 69 -8.558 -17.083 4.214 1.00 0.00 C ATOM 1113 CG2 ILE A 69 -7.123 -15.267 3.176 1.00 0.00 C ATOM 1114 CD1 ILE A 69 -9.486 -15.907 4.524 1.00 0.00 C ATOM 0 HA ILE A 69 -6.964 -17.969 2.341 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.654 -16.429 4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.938 -17.633 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.549 -17.775 5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.700 -14.529 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.096 -14.919 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.565 -15.403 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.491 -16.279 4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.117 -15.373 5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.512 -15.229 3.671 1.00 0.00 H new ATOM 1126 N VAL A 70 -5.071 -16.855 1.288 1.00 0.00 N ATOM 1127 CA VAL A 70 -3.901 -16.350 0.590 1.00 0.00 C ATOM 1128 C VAL A 70 -4.050 -14.841 0.380 1.00 0.00 C ATOM 1129 O VAL A 70 -4.938 -14.397 -0.346 1.00 0.00 O ATOM 1130 CB VAL A 70 -3.698 -17.119 -0.717 1.00 0.00 C ATOM 1131 CG1 VAL A 70 -2.593 -16.482 -1.562 1.00 0.00 C ATOM 1132 CG2 VAL A 70 -3.400 -18.594 -0.444 1.00 0.00 C ATOM 0 H VAL A 70 -5.901 -16.964 0.705 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.002 -16.508 1.186 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.626 -17.065 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.469 -17.048 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.864 -15.454 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.657 -16.490 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.260 -19.118 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.493 -18.677 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.234 -19.040 0.098 1.00 0.00 H new ATOM 1142 N VAL A 71 -3.167 -14.096 1.028 1.00 0.00 N ATOM 1143 CA VAL A 71 -3.189 -12.647 0.921 1.00 0.00 C ATOM 1144 C VAL A 71 -2.006 -12.185 0.067 1.00 0.00 C ATOM 1145 O VAL A 71 -0.897 -12.697 0.207 1.00 0.00 O ATOM 1146 CB VAL A 71 -3.201 -12.019 2.316 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -3.645 -10.556 2.255 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -4.086 -12.822 3.271 1.00 0.00 C ATOM 0 H VAL A 71 -2.432 -14.468 1.629 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.099 -12.315 0.422 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.182 -12.044 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.645 -10.134 3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.957 -9.993 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.650 -10.498 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.077 -12.354 4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.107 -12.844 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.706 -13.840 3.350 1.00 0.00 H new ATOM 1158 N PRO A 72 -2.291 -11.196 -0.822 1.00 0.00 N ATOM 1159 CA PRO A 72 -1.264 -10.659 -1.698 1.00 0.00 C ATOM 1160 C PRO A 72 -0.312 -9.741 -0.929 1.00 0.00 C ATOM 1161 O PRO A 72 -0.635 -9.283 0.166 1.00 0.00 O ATOM 1162 CB PRO A 72 -2.024 -9.938 -2.800 1.00 0.00 C ATOM 1163 CG PRO A 72 -3.422 -9.700 -2.254 1.00 0.00 C ATOM 1164 CD PRO A 72 -3.593 -10.565 -1.016 1.00 0.00 C ATOM 0 HA PRO A 72 -0.621 -11.434 -2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.539 -8.996 -3.057 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.057 -10.538 -3.709 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.561 -8.648 -2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.172 -9.953 -3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.876 -9.966 -0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.377 -11.309 -1.158 1.00 0.00 H new ATOM 1172 N PRO A 73 0.873 -9.493 -1.548 1.00 0.00 N ATOM 1173 CA PRO A 73 1.875 -8.638 -0.934 1.00 0.00 C ATOM 1174 C PRO A 73 1.474 -7.165 -1.035 1.00 0.00 C ATOM 1175 O PRO A 73 0.870 -6.748 -2.023 1.00 0.00 O ATOM 1176 CB PRO A 73 3.167 -8.954 -1.669 1.00 0.00 C ATOM 1177 CG PRO A 73 2.754 -9.626 -2.968 1.00 0.00 C ATOM 1178 CD PRO A 73 1.290 -10.019 -2.845 1.00 0.00 C ATOM 0 HA PRO A 73 1.986 -8.821 0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.738 -8.046 -1.863 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.804 -9.610 -1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.898 -8.949 -3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.371 -10.505 -3.156 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.696 -9.594 -3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.165 -11.101 -2.892 1.00 0.00 H new ATOM 1186 N LEU A 74 1.827 -6.416 0.000 1.00 0.00 N ATOM 1187 CA LEU A 74 1.512 -4.998 0.040 1.00 0.00 C ATOM 1188 C LEU A 74 2.514 -4.233 -0.827 1.00 0.00 C ATOM 1189 O LEU A 74 3.687 -4.597 -0.894 1.00 0.00 O ATOM 1190 CB LEU A 74 1.446 -4.505 1.486 1.00 0.00 C ATOM 1191 CG LEU A 74 0.132 -4.764 2.225 1.00 0.00 C ATOM 1192 CD1 LEU A 74 0.320 -4.643 3.738 1.00 0.00 C ATOM 1193 CD2 LEU A 74 -0.978 -3.845 1.709 1.00 0.00 C ATOM 0 H LEU A 74 2.328 -6.765 0.817 1.00 0.00 H new ATOM 0 HA LEU A 74 0.523 -4.815 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.254 -4.976 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.637 -3.432 1.492 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.178 -5.789 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.630 -4.832 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.058 -5.372 4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.666 -3.639 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.901 -4.050 2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.690 -2.805 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.134 -4.025 0.645 1.00 0.00 H new ATOM 1205 N PRO A 75 2.003 -3.159 -1.485 1.00 0.00 N ATOM 1206 CA PRO A 75 2.840 -2.339 -2.344 1.00 0.00 C ATOM 1207 C PRO A 75 3.759 -1.438 -1.516 1.00 0.00 C ATOM 1208 O PRO A 75 3.344 -0.373 -1.060 1.00 0.00 O ATOM 1209 CB PRO A 75 1.867 -1.558 -3.212 1.00 0.00 C ATOM 1210 CG PRO A 75 0.528 -1.619 -2.496 1.00 0.00 C ATOM 1211 CD PRO A 75 0.619 -2.697 -1.429 1.00 0.00 C ATOM 0 HA PRO A 75 3.517 -2.930 -2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.196 -0.526 -3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.797 -1.993 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.292 -0.655 -2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.272 -1.846 -3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.374 -2.301 -0.444 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.078 -3.511 -1.628 1.00 0.00 H new ATOM 1219 N GLY A 76 4.990 -1.897 -1.347 1.00 0.00 N ATOM 1220 CA GLY A 76 5.971 -1.146 -0.583 1.00 0.00 C ATOM 1221 C GLY A 76 7.020 -2.078 0.027 1.00 0.00 C ATOM 1222 O GLY A 76 6.701 -3.189 0.447 1.00 0.00 O ATOM 0 H GLY A 76 5.331 -2.780 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.459 -0.416 -1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.471 -0.587 0.208 1.00 0.00 H new ATOM 1512 N GLU A 94 3.973 12.483 -5.981 1.00 0.00 N ATOM 1513 CA GLU A 94 2.840 11.891 -6.673 1.00 0.00 C ATOM 1514 C GLU A 94 3.091 10.404 -6.926 1.00 0.00 C ATOM 1515 O GLU A 94 2.278 9.560 -6.551 1.00 0.00 O ATOM 1516 CB GLU A 94 2.550 12.629 -7.981 1.00 0.00 C ATOM 1517 CG GLU A 94 1.585 13.794 -7.752 1.00 0.00 C ATOM 1518 CD GLU A 94 0.582 13.910 -8.901 1.00 0.00 C ATOM 1519 OE1 GLU A 94 0.030 12.854 -9.281 1.00 0.00 O ATOM 1520 OE2 GLU A 94 0.389 15.051 -9.374 1.00 0.00 O ATOM 0 HA GLU A 94 1.960 11.988 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.482 13.002 -8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.124 11.936 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.052 13.650 -6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.147 14.723 -7.660 1.00 0.00 H new ATOM 1527 N SER A 95 4.220 10.126 -7.562 1.00 0.00 N ATOM 1528 CA SER A 95 4.588 8.755 -7.870 1.00 0.00 C ATOM 1529 C SER A 95 4.428 7.878 -6.627 1.00 0.00 C ATOM 1530 O SER A 95 3.778 6.836 -6.677 1.00 0.00 O ATOM 1531 CB SER A 95 6.023 8.675 -8.396 1.00 0.00 C ATOM 1532 OG SER A 95 6.135 7.790 -9.507 1.00 0.00 O ATOM 0 H SER A 95 4.892 10.828 -7.872 1.00 0.00 H new ATOM 0 HA SER A 95 3.922 8.390 -8.652 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.358 9.670 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.684 8.339 -7.597 1.00 0.00 H new ATOM 0 HG SER A 95 7.065 7.768 -9.815 1.00 0.00 H new ATOM 1538 N PHE A 96 5.034 8.333 -5.539 1.00 0.00 N ATOM 1539 CA PHE A 96 4.967 7.603 -4.285 1.00 0.00 C ATOM 1540 C PHE A 96 3.518 7.280 -3.915 1.00 0.00 C ATOM 1541 O PHE A 96 3.176 6.121 -3.686 1.00 0.00 O ATOM 1542 CB PHE A 96 5.566 8.510 -3.208 1.00 0.00 C ATOM 1543 CG PHE A 96 6.005 7.768 -1.944 1.00 0.00 C ATOM 1544 CD1 PHE A 96 5.109 7.016 -1.251 1.00 0.00 C ATOM 1545 CD2 PHE A 96 7.292 7.860 -1.513 1.00 0.00 C ATOM 1546 CE1 PHE A 96 5.516 6.327 -0.078 1.00 0.00 C ATOM 1547 CE2 PHE A 96 7.699 7.172 -0.340 1.00 0.00 C ATOM 1548 CZ PHE A 96 6.803 6.420 0.353 1.00 0.00 C ATOM 0 H PHE A 96 5.573 9.198 -5.501 1.00 0.00 H new ATOM 0 HA PHE A 96 5.509 6.662 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.425 9.035 -3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.831 9.268 -2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.087 6.943 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.004 8.457 -2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.804 5.729 0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.721 7.246 0.002 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.113 5.897 1.245 1.00 0.00 H new ATOM 1558 N ILE A 97 2.706 8.326 -3.868 1.00 0.00 N ATOM 1559 CA ILE A 97 1.302 8.168 -3.530 1.00 0.00 C ATOM 1560 C ILE A 97 0.647 7.206 -4.524 1.00 0.00 C ATOM 1561 O ILE A 97 0.145 6.153 -4.135 1.00 0.00 O ATOM 1562 CB ILE A 97 0.613 9.532 -3.449 1.00 0.00 C ATOM 1563 CG1 ILE A 97 1.008 10.270 -2.169 1.00 0.00 C ATOM 1564 CG2 ILE A 97 -0.904 9.389 -3.583 1.00 0.00 C ATOM 1565 CD1 ILE A 97 1.290 11.747 -2.452 1.00 0.00 C ATOM 0 H ILE A 97 2.994 9.286 -4.058 1.00 0.00 H new ATOM 0 HA ILE A 97 1.197 7.724 -2.540 1.00 0.00 H new ATOM 0 HB ILE A 97 0.954 10.138 -4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.208 10.183 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.892 9.804 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.369 10.373 -3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.143 8.934 -4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.282 8.758 -2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.569 12.248 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.106 11.831 -3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.396 12.216 -2.864 1.00 0.00 H new ATOM 1577 N GLU A 98 0.674 7.604 -5.787 1.00 0.00 N ATOM 1578 CA GLU A 98 0.090 6.790 -6.840 1.00 0.00 C ATOM 1579 C GLU A 98 0.446 5.317 -6.632 1.00 0.00 C ATOM 1580 O GLU A 98 -0.436 4.461 -6.595 1.00 0.00 O ATOM 1581 CB GLU A 98 0.540 7.274 -8.220 1.00 0.00 C ATOM 1582 CG GLU A 98 -0.656 7.441 -9.159 1.00 0.00 C ATOM 1583 CD GLU A 98 -0.799 8.896 -9.611 1.00 0.00 C ATOM 1584 OE1 GLU A 98 -1.370 9.681 -8.823 1.00 0.00 O ATOM 1585 OE2 GLU A 98 -0.334 9.190 -10.733 1.00 0.00 O ATOM 0 H GLU A 98 1.091 8.479 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.994 6.891 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.066 8.224 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.246 6.561 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.532 6.797 -10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.567 7.122 -8.653 1.00 0.00 H new ATOM 1592 N GLU A 99 1.740 5.067 -6.502 1.00 0.00 N ATOM 1593 CA GLU A 99 2.224 3.712 -6.298 1.00 0.00 C ATOM 1594 C GLU A 99 1.315 2.965 -5.319 1.00 0.00 C ATOM 1595 O GLU A 99 0.756 1.923 -5.657 1.00 0.00 O ATOM 1596 CB GLU A 99 3.673 3.714 -5.808 1.00 0.00 C ATOM 1597 CG GLU A 99 4.503 2.660 -6.544 1.00 0.00 C ATOM 1598 CD GLU A 99 5.242 1.756 -5.556 1.00 0.00 C ATOM 1599 OE1 GLU A 99 6.128 2.288 -4.853 1.00 0.00 O ATOM 1600 OE2 GLU A 99 4.904 0.553 -5.526 1.00 0.00 O ATOM 0 H GLU A 99 2.469 5.780 -6.534 1.00 0.00 H new ATOM 0 HA GLU A 99 2.200 3.191 -7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.111 4.700 -5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.698 3.518 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.852 2.057 -7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.221 3.151 -7.201 1.00 0.00 H new ATOM 1607 N ARG A 100 1.197 3.527 -4.125 1.00 0.00 N ATOM 1608 CA ARG A 100 0.366 2.928 -3.095 1.00 0.00 C ATOM 1609 C ARG A 100 -1.099 2.919 -3.534 1.00 0.00 C ATOM 1610 O ARG A 100 -1.766 1.887 -3.463 1.00 0.00 O ATOM 1611 CB ARG A 100 0.492 3.690 -1.774 1.00 0.00 C ATOM 1612 CG ARG A 100 0.799 2.736 -0.618 1.00 0.00 C ATOM 1613 CD ARG A 100 1.678 3.414 0.434 1.00 0.00 C ATOM 1614 NE ARG A 100 2.927 2.644 0.623 1.00 0.00 N ATOM 1615 CZ ARG A 100 3.948 3.044 1.394 1.00 0.00 C ATOM 1616 NH1 ARG A 100 3.874 4.209 2.051 1.00 0.00 N ATOM 1617 NH2 ARG A 100 5.043 2.279 1.506 1.00 0.00 N ATOM 0 H ARG A 100 1.663 4.391 -3.848 1.00 0.00 H new ATOM 0 HA ARG A 100 0.709 1.905 -2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.283 4.436 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -0.434 4.228 -1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.132 2.403 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.302 1.847 -0.999 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.912 4.432 0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.139 3.486 1.379 1.00 0.00 H new ATOM 0 HE ARG A 100 3.017 1.752 0.136 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.041 4.791 1.964 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.651 4.514 2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.099 1.393 1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.820 2.583 2.093 1.00 0.00 H new ATOM 1631 N ARG A 101 -1.558 4.080 -3.977 1.00 0.00 N ATOM 1632 CA ARG A 101 -2.933 4.219 -4.427 1.00 0.00 C ATOM 1633 C ARG A 101 -3.343 3.004 -5.262 1.00 0.00 C ATOM 1634 O ARG A 101 -4.161 2.195 -4.827 1.00 0.00 O ATOM 1635 CB ARG A 101 -3.113 5.488 -5.262 1.00 0.00 C ATOM 1636 CG ARG A 101 -4.584 5.700 -5.626 1.00 0.00 C ATOM 1637 CD ARG A 101 -4.720 6.336 -7.011 1.00 0.00 C ATOM 1638 NE ARG A 101 -4.418 7.783 -6.935 1.00 0.00 N ATOM 1639 CZ ARG A 101 -4.204 8.562 -8.004 1.00 0.00 C ATOM 1640 NH1 ARG A 101 -4.258 8.040 -9.237 1.00 0.00 N ATOM 1641 NH2 ARG A 101 -3.936 9.865 -7.840 1.00 0.00 N ATOM 0 H ARG A 101 -1.002 4.933 -4.034 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.567 4.287 -3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.745 6.350 -4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.516 5.417 -6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.108 4.745 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.058 6.338 -4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -4.041 5.851 -7.712 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -5.730 6.186 -7.391 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.370 8.214 -6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -4.462 7.049 -9.363 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.095 8.634 -10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.895 10.263 -6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.773 10.458 -8.653 1.00 0.00 H new ATOM 1655 N GLN A 102 -2.756 2.915 -6.447 1.00 0.00 N ATOM 1656 CA GLN A 102 -3.051 1.813 -7.346 1.00 0.00 C ATOM 1657 C GLN A 102 -2.714 0.478 -6.679 1.00 0.00 C ATOM 1658 O GLN A 102 -3.510 -0.459 -6.718 1.00 0.00 O ATOM 1659 CB GLN A 102 -2.298 1.969 -8.669 1.00 0.00 C ATOM 1660 CG GLN A 102 -2.948 3.042 -9.546 1.00 0.00 C ATOM 1661 CD GLN A 102 -2.263 3.122 -10.912 1.00 0.00 C ATOM 1662 OE1 GLN A 102 -2.235 2.173 -11.678 1.00 0.00 O ATOM 1663 NE2 GLN A 102 -1.714 4.305 -11.173 1.00 0.00 N ATOM 0 H GLN A 102 -2.078 3.588 -6.805 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.118 1.827 -7.568 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -1.260 2.235 -8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.287 1.017 -9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.006 2.817 -9.678 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.888 4.010 -9.048 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.774 5.058 -10.487 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.233 4.460 -12.059 1.00 0.00 H new ATOM 1672 N GLY A 103 -1.532 0.433 -6.081 1.00 0.00 N ATOM 1673 CA GLY A 103 -1.080 -0.771 -5.405 1.00 0.00 C ATOM 1674 C GLY A 103 -2.195 -1.368 -4.544 1.00 0.00 C ATOM 1675 O GLY A 103 -2.709 -2.445 -4.845 1.00 0.00 O ATOM 0 H GLY A 103 -0.874 1.212 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.752 -1.505 -6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.218 -0.539 -4.780 1.00 0.00 H new ATOM 1679 N LEU A 104 -2.537 -0.643 -3.489 1.00 0.00 N ATOM 1680 CA LEU A 104 -3.582 -1.087 -2.582 1.00 0.00 C ATOM 1681 C LEU A 104 -4.808 -1.513 -3.393 1.00 0.00 C ATOM 1682 O LEU A 104 -5.384 -2.570 -3.143 1.00 0.00 O ATOM 1683 CB LEU A 104 -3.879 -0.009 -1.538 1.00 0.00 C ATOM 1684 CG LEU A 104 -2.791 0.226 -0.488 1.00 0.00 C ATOM 1685 CD1 LEU A 104 -2.975 1.581 0.198 1.00 0.00 C ATOM 1686 CD2 LEU A 104 -2.744 -0.925 0.519 1.00 0.00 C ATOM 0 H LEU A 104 -2.109 0.249 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.252 -1.960 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.063 0.931 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.802 -0.275 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.826 0.250 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.189 1.723 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.920 2.376 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.947 1.611 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.963 -0.733 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.706 -1.006 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.530 -1.857 -0.004 1.00 0.00 H new ATOM 1698 N GLU A 105 -5.170 -0.667 -4.346 1.00 0.00 N ATOM 1699 CA GLU A 105 -6.317 -0.943 -5.195 1.00 0.00 C ATOM 1700 C GLU A 105 -6.208 -2.346 -5.795 1.00 0.00 C ATOM 1701 O GLU A 105 -7.112 -3.165 -5.636 1.00 0.00 O ATOM 1702 CB GLU A 105 -6.454 0.114 -6.292 1.00 0.00 C ATOM 1703 CG GLU A 105 -7.907 0.243 -6.751 1.00 0.00 C ATOM 1704 CD GLU A 105 -7.997 0.301 -8.278 1.00 0.00 C ATOM 1705 OE1 GLU A 105 -7.214 1.080 -8.863 1.00 0.00 O ATOM 1706 OE2 GLU A 105 -8.846 -0.435 -8.825 1.00 0.00 O ATOM 0 H GLU A 105 -4.690 0.210 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.217 -0.901 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.099 1.076 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.823 -0.153 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.485 -0.603 -6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.349 1.143 -6.323 1.00 0.00 H new ATOM 1713 N GLN A 106 -5.093 -2.580 -6.472 1.00 0.00 N ATOM 1714 CA GLN A 106 -4.854 -3.870 -7.097 1.00 0.00 C ATOM 1715 C GLN A 106 -4.914 -4.986 -6.052 1.00 0.00 C ATOM 1716 O GLN A 106 -5.543 -6.018 -6.276 1.00 0.00 O ATOM 1717 CB GLN A 106 -3.515 -3.882 -7.836 1.00 0.00 C ATOM 1718 CG GLN A 106 -3.725 -3.916 -9.351 1.00 0.00 C ATOM 1719 CD GLN A 106 -3.457 -5.315 -9.911 1.00 0.00 C ATOM 1720 OE1 GLN A 106 -4.214 -6.249 -9.706 1.00 0.00 O ATOM 1721 NE2 GLN A 106 -2.339 -5.406 -10.626 1.00 0.00 N ATOM 0 H GLN A 106 -4.345 -1.898 -6.601 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.639 -4.046 -7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.938 -2.998 -7.565 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.933 -4.750 -7.526 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.746 -3.615 -9.587 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.062 -3.196 -9.830 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.750 -4.584 -10.759 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.071 -6.298 -11.042 1.00 0.00 H new ATOM 1730 N PHE A 107 -4.249 -4.740 -4.932 1.00 0.00 N ATOM 1731 CA PHE A 107 -4.219 -5.711 -3.852 1.00 0.00 C ATOM 1732 C PHE A 107 -5.635 -6.106 -3.429 1.00 0.00 C ATOM 1733 O PHE A 107 -6.003 -7.278 -3.498 1.00 0.00 O ATOM 1734 CB PHE A 107 -3.515 -5.042 -2.669 1.00 0.00 C ATOM 1735 CG PHE A 107 -3.868 -5.648 -1.310 1.00 0.00 C ATOM 1736 CD1 PHE A 107 -4.926 -5.165 -0.604 1.00 0.00 C ATOM 1737 CD2 PHE A 107 -3.126 -6.671 -0.808 1.00 0.00 C ATOM 1738 CE1 PHE A 107 -5.254 -5.728 0.657 1.00 0.00 C ATOM 1739 CE2 PHE A 107 -3.454 -7.234 0.454 1.00 0.00 C ATOM 1740 CZ PHE A 107 -4.511 -6.751 1.160 1.00 0.00 C ATOM 0 H PHE A 107 -3.727 -3.883 -4.750 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.701 -6.613 -4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.437 -5.109 -2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.770 -3.982 -2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.516 -4.353 -1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.287 -7.055 -1.369 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.094 -5.344 1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.864 -8.046 0.853 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.761 -7.179 2.120 1.00 0.00 H new ATOM 1750 N ILE A 108 -6.391 -5.106 -3.002 1.00 0.00 N ATOM 1751 CA ILE A 108 -7.759 -5.335 -2.568 1.00 0.00 C ATOM 1752 C ILE A 108 -8.577 -5.878 -3.741 1.00 0.00 C ATOM 1753 O ILE A 108 -9.385 -6.790 -3.570 1.00 0.00 O ATOM 1754 CB ILE A 108 -8.344 -4.064 -1.947 1.00 0.00 C ATOM 1755 CG1 ILE A 108 -9.467 -4.401 -0.965 1.00 0.00 C ATOM 1756 CG2 ILE A 108 -8.803 -3.086 -3.030 1.00 0.00 C ATOM 1757 CD1 ILE A 108 -8.901 -4.851 0.383 1.00 0.00 C ATOM 0 H ILE A 108 -6.083 -4.135 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.788 -6.089 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.557 -3.568 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.104 -3.528 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.094 -5.189 -1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.214 -2.192 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.954 -2.810 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.568 -3.558 -3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.721 -5.084 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.284 -5.738 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.294 -4.051 0.808 1.00 0.00 H new ATOM 1769 N ASN A 109 -8.340 -5.295 -4.907 1.00 0.00 N ATOM 1770 CA ASN A 109 -9.045 -5.709 -6.108 1.00 0.00 C ATOM 1771 C ASN A 109 -8.985 -7.233 -6.230 1.00 0.00 C ATOM 1772 O ASN A 109 -9.981 -7.873 -6.565 1.00 0.00 O ATOM 1773 CB ASN A 109 -8.401 -5.109 -7.360 1.00 0.00 C ATOM 1774 CG ASN A 109 -9.218 -3.927 -7.884 1.00 0.00 C ATOM 1775 OD1 ASN A 109 -9.891 -4.005 -8.898 1.00 0.00 O ATOM 1776 ND2 ASN A 109 -9.121 -2.830 -7.138 1.00 0.00 N ATOM 0 H ASN A 109 -7.669 -4.539 -5.045 1.00 0.00 H new ATOM 0 HA ASN A 109 -10.075 -5.361 -6.030 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.387 -4.781 -7.130 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -8.322 -5.872 -8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.628 -1.986 -7.404 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.539 -2.833 -6.300 1.00 0.00 H new ATOM 1783 N LYS A 110 -7.806 -7.771 -5.951 1.00 0.00 N ATOM 1784 CA LYS A 110 -7.603 -9.208 -6.025 1.00 0.00 C ATOM 1785 C LYS A 110 -8.071 -9.852 -4.719 1.00 0.00 C ATOM 1786 O LYS A 110 -8.689 -10.916 -4.734 1.00 0.00 O ATOM 1787 CB LYS A 110 -6.149 -9.526 -6.381 1.00 0.00 C ATOM 1788 CG LYS A 110 -6.039 -10.057 -7.811 1.00 0.00 C ATOM 1789 CD LYS A 110 -5.752 -11.560 -7.816 1.00 0.00 C ATOM 1790 CE LYS A 110 -5.884 -12.138 -9.227 1.00 0.00 C ATOM 1791 NZ LYS A 110 -5.007 -13.320 -9.386 1.00 0.00 N ATOM 0 H LYS A 110 -6.982 -7.237 -5.673 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.204 -9.637 -6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.540 -8.628 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.753 -10.264 -5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.966 -9.858 -8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.244 -9.529 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.747 -11.743 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.444 -12.068 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.920 -12.418 -9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.619 -11.379 -9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.108 -13.700 -10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.018 -13.042 -9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.278 -14.049 -8.696 1.00 0.00 H new ATOM 1805 N ILE A 111 -7.760 -9.181 -3.620 1.00 0.00 N ATOM 1806 CA ILE A 111 -8.141 -9.675 -2.307 1.00 0.00 C ATOM 1807 C ILE A 111 -9.654 -9.905 -2.273 1.00 0.00 C ATOM 1808 O ILE A 111 -10.114 -10.974 -1.878 1.00 0.00 O ATOM 1809 CB ILE A 111 -7.637 -8.733 -1.213 1.00 0.00 C ATOM 1810 CG1 ILE A 111 -6.825 -9.495 -0.164 1.00 0.00 C ATOM 1811 CG2 ILE A 111 -8.794 -7.953 -0.585 1.00 0.00 C ATOM 1812 CD1 ILE A 111 -7.714 -9.949 0.995 1.00 0.00 C ATOM 0 H ILE A 111 -7.248 -8.299 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.667 -10.637 -2.109 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.968 -8.005 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.352 -10.362 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.025 -8.859 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.408 -7.291 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.293 -7.361 -1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.506 -8.651 -0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.112 -10.488 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.167 -9.078 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.498 -10.605 0.617 1.00 0.00 H new ATOM 1824 N ALA A 112 -10.384 -8.882 -2.693 1.00 0.00 N ATOM 1825 CA ALA A 112 -11.835 -8.959 -2.716 1.00 0.00 C ATOM 1826 C ALA A 112 -12.264 -10.211 -3.483 1.00 0.00 C ATOM 1827 O ALA A 112 -13.085 -10.989 -3.000 1.00 0.00 O ATOM 1828 CB ALA A 112 -12.405 -7.677 -3.327 1.00 0.00 C ATOM 0 H ALA A 112 -9.998 -7.996 -3.020 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.230 -9.042 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.493 -7.735 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.097 -6.820 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -12.032 -7.562 -4.345 1.00 0.00 H new ATOM 1834 N GLY A 113 -11.688 -10.368 -4.666 1.00 0.00 N ATOM 1835 CA GLY A 113 -12.000 -11.513 -5.505 1.00 0.00 C ATOM 1836 C GLY A 113 -11.916 -12.816 -4.707 1.00 0.00 C ATOM 1837 O GLY A 113 -12.516 -13.820 -5.088 1.00 0.00 O ATOM 0 H GLY A 113 -11.007 -9.721 -5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.001 -11.401 -5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.307 -11.552 -6.346 1.00 0.00 H new ATOM 1841 N HIS A 114 -11.168 -12.757 -3.615 1.00 0.00 N ATOM 1842 CA HIS A 114 -10.998 -13.920 -2.761 1.00 0.00 C ATOM 1843 C HIS A 114 -12.313 -14.223 -2.039 1.00 0.00 C ATOM 1844 O HIS A 114 -12.964 -13.317 -1.522 1.00 0.00 O ATOM 1845 CB HIS A 114 -9.826 -13.720 -1.798 1.00 0.00 C ATOM 1846 CG HIS A 114 -9.097 -14.995 -1.446 1.00 0.00 C ATOM 1847 ND1 HIS A 114 -9.536 -15.861 -0.460 1.00 0.00 N ATOM 1848 CD2 HIS A 114 -7.957 -15.540 -1.958 1.00 0.00 C ATOM 1849 CE1 HIS A 114 -8.689 -16.878 -0.390 1.00 0.00 C ATOM 1850 NE2 HIS A 114 -7.711 -16.677 -1.319 1.00 0.00 N ATOM 0 H HIS A 114 -10.673 -11.922 -3.302 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.749 -14.789 -3.370 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.119 -13.020 -2.243 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.196 -13.260 -0.882 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.356 -15.118 -2.750 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.761 -17.718 0.284 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -6.921 -17.298 -1.494 1.00 0.00 H new ATOM 1858 N PRO A 115 -12.673 -15.534 -2.027 1.00 0.00 N ATOM 1859 CA PRO A 115 -13.898 -15.968 -1.377 1.00 0.00 C ATOM 1860 C PRO A 115 -13.743 -15.960 0.145 1.00 0.00 C ATOM 1861 O PRO A 115 -14.546 -15.351 0.851 1.00 0.00 O ATOM 1862 CB PRO A 115 -14.172 -17.353 -1.940 1.00 0.00 C ATOM 1863 CG PRO A 115 -12.854 -17.833 -2.526 1.00 0.00 C ATOM 1864 CD PRO A 115 -11.925 -16.635 -2.629 1.00 0.00 C ATOM 0 HA PRO A 115 -14.738 -15.301 -1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.522 -18.029 -1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -14.949 -17.318 -2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.414 -18.604 -1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -13.013 -18.278 -3.508 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.988 -16.813 -2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.670 -16.420 -3.667 1.00 0.00 H new ATOM 1872 N LEU A 116 -12.706 -16.644 0.606 1.00 0.00 N ATOM 1873 CA LEU A 116 -12.437 -16.723 2.032 1.00 0.00 C ATOM 1874 C LEU A 116 -12.521 -15.323 2.641 1.00 0.00 C ATOM 1875 O LEU A 116 -13.060 -15.149 3.733 1.00 0.00 O ATOM 1876 CB LEU A 116 -11.101 -17.425 2.286 1.00 0.00 C ATOM 1877 CG LEU A 116 -10.893 -18.755 1.559 1.00 0.00 C ATOM 1878 CD1 LEU A 116 -9.785 -19.575 2.223 1.00 0.00 C ATOM 1879 CD2 LEU A 116 -12.204 -19.538 1.462 1.00 0.00 C ATOM 0 H LEU A 116 -12.042 -17.148 0.018 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.192 -17.333 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.297 -16.747 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.003 -17.600 3.357 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.570 -18.540 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.657 -20.515 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.851 -19.013 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.056 -19.781 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.028 -20.479 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.580 -19.743 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.939 -18.950 0.912 1.00 0.00 H new ATOM 1891 N ALA A 117 -11.981 -14.360 1.909 1.00 0.00 N ATOM 1892 CA ALA A 117 -11.989 -12.980 2.364 1.00 0.00 C ATOM 1893 C ALA A 117 -13.424 -12.449 2.344 1.00 0.00 C ATOM 1894 O ALA A 117 -13.889 -11.871 3.325 1.00 0.00 O ATOM 1895 CB ALA A 117 -11.048 -12.148 1.490 1.00 0.00 C ATOM 0 H ALA A 117 -11.535 -14.508 1.004 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.626 -12.913 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -11.054 -11.113 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.036 -12.548 1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.382 -12.190 0.453 1.00 0.00 H new ATOM 1901 N GLN A 118 -14.085 -12.664 1.216 1.00 0.00 N ATOM 1902 CA GLN A 118 -15.458 -12.215 1.056 1.00 0.00 C ATOM 1903 C GLN A 118 -16.320 -12.716 2.217 1.00 0.00 C ATOM 1904 O GLN A 118 -17.321 -12.093 2.565 1.00 0.00 O ATOM 1905 CB GLN A 118 -16.030 -12.670 -0.288 1.00 0.00 C ATOM 1906 CG GLN A 118 -15.626 -11.710 -1.409 1.00 0.00 C ATOM 1907 CD GLN A 118 -16.258 -12.124 -2.740 1.00 0.00 C ATOM 1908 OE1 GLN A 118 -17.361 -12.643 -2.798 1.00 0.00 O ATOM 1909 NE2 GLN A 118 -15.500 -11.867 -3.802 1.00 0.00 N ATOM 0 H GLN A 118 -13.695 -13.143 0.404 1.00 0.00 H new ATOM 0 HA GLN A 118 -15.467 -11.125 1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -15.673 -13.674 -0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -17.117 -12.725 -0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -15.937 -10.697 -1.154 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.540 -11.696 -1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.586 -11.430 -3.683 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.833 -12.106 -4.736 1.00 0.00 H new ATOM 1918 N ASN A 119 -15.899 -13.837 2.783 1.00 0.00 N ATOM 1919 CA ASN A 119 -16.619 -14.429 3.897 1.00 0.00 C ATOM 1920 C ASN A 119 -16.112 -13.822 5.207 1.00 0.00 C ATOM 1921 O ASN A 119 -16.885 -13.626 6.144 1.00 0.00 O ATOM 1922 CB ASN A 119 -16.394 -15.941 3.959 1.00 0.00 C ATOM 1923 CG ASN A 119 -17.681 -16.701 3.631 1.00 0.00 C ATOM 1924 OD1 ASN A 119 -18.563 -16.864 4.457 1.00 0.00 O ATOM 1925 ND2 ASN A 119 -17.738 -17.156 2.382 1.00 0.00 N ATOM 0 H ASN A 119 -15.068 -14.351 2.491 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.681 -14.228 3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -15.611 -16.225 3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -16.046 -16.220 4.954 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -18.556 -17.677 2.066 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -16.964 -16.984 1.741 1.00 0.00 H new ATOM 1932 N GLU A 120 -14.818 -13.542 5.231 1.00 0.00 N ATOM 1933 CA GLU A 120 -14.198 -12.962 6.410 1.00 0.00 C ATOM 1934 C GLU A 120 -14.903 -11.659 6.793 1.00 0.00 C ATOM 1935 O GLU A 120 -15.358 -10.916 5.924 1.00 0.00 O ATOM 1936 CB GLU A 120 -12.703 -12.731 6.186 1.00 0.00 C ATOM 1937 CG GLU A 120 -11.908 -14.017 6.422 1.00 0.00 C ATOM 1938 CD GLU A 120 -12.016 -14.469 7.879 1.00 0.00 C ATOM 1939 OE1 GLU A 120 -11.793 -13.609 8.759 1.00 0.00 O ATOM 1940 OE2 GLU A 120 -12.320 -15.665 8.081 1.00 0.00 O ATOM 0 H GLU A 120 -14.181 -13.706 4.452 1.00 0.00 H new ATOM 0 HA GLU A 120 -14.303 -13.666 7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -12.535 -12.377 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -12.347 -11.951 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -12.279 -14.804 5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -10.861 -13.854 6.165 1.00 0.00 H new ATOM 1947 N ARG A 121 -14.973 -11.422 8.094 1.00 0.00 N ATOM 1948 CA ARG A 121 -15.615 -10.222 8.603 1.00 0.00 C ATOM 1949 C ARG A 121 -14.625 -9.055 8.617 1.00 0.00 C ATOM 1950 O ARG A 121 -15.015 -7.903 8.433 1.00 0.00 O ATOM 1951 CB ARG A 121 -16.153 -10.442 10.018 1.00 0.00 C ATOM 1952 CG ARG A 121 -17.431 -9.634 10.251 1.00 0.00 C ATOM 1953 CD ARG A 121 -18.666 -10.421 9.809 1.00 0.00 C ATOM 1954 NE ARG A 121 -19.883 -9.834 10.412 1.00 0.00 N ATOM 1955 CZ ARG A 121 -21.054 -10.477 10.518 1.00 0.00 C ATOM 1956 NH1 ARG A 121 -21.173 -11.731 10.062 1.00 0.00 N ATOM 1957 NH2 ARG A 121 -22.106 -9.865 11.080 1.00 0.00 N ATOM 0 H ARG A 121 -14.596 -12.041 8.812 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.449 -9.987 7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -16.355 -11.502 10.173 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -15.397 -10.152 10.747 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.517 -9.379 11.307 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.377 -8.695 9.700 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.746 -10.408 8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -18.569 -11.465 10.109 1.00 0.00 H new ATOM 0 HE ARG A 121 -19.827 -8.880 10.769 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.372 -12.196 9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.064 -12.221 10.143 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.015 -8.910 11.427 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.997 -10.354 11.161 1.00 0.00 H new ATOM 1971 N CYS A 122 -13.363 -9.394 8.837 1.00 0.00 N ATOM 1972 CA CYS A 122 -12.314 -8.390 8.878 1.00 0.00 C ATOM 1973 C CYS A 122 -12.376 -7.578 7.583 1.00 0.00 C ATOM 1974 O CYS A 122 -12.262 -6.354 7.607 1.00 0.00 O ATOM 1975 CB CYS A 122 -10.936 -9.019 9.092 1.00 0.00 C ATOM 1976 SG CYS A 122 -10.451 -9.982 7.613 1.00 0.00 S ATOM 0 H CYS A 122 -13.043 -10.351 8.989 1.00 0.00 H new ATOM 0 HA CYS A 122 -12.474 -7.728 9.729 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -10.198 -8.241 9.287 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -10.955 -9.667 9.968 1.00 0.00 H new ATOM 0 HG CYS A 122 -9.386 -10.679 7.879 1.00 0.00 H new ATOM 1982 N LEU A 123 -12.557 -8.293 6.482 1.00 0.00 N ATOM 1983 CA LEU A 123 -12.635 -7.655 5.179 1.00 0.00 C ATOM 1984 C LEU A 123 -13.887 -6.776 5.121 1.00 0.00 C ATOM 1985 O LEU A 123 -13.789 -5.562 4.950 1.00 0.00 O ATOM 1986 CB LEU A 123 -12.567 -8.701 4.065 1.00 0.00 C ATOM 1987 CG LEU A 123 -12.894 -8.202 2.656 1.00 0.00 C ATOM 1988 CD1 LEU A 123 -11.657 -7.598 1.987 1.00 0.00 C ATOM 1989 CD2 LEU A 123 -13.516 -9.315 1.810 1.00 0.00 C ATOM 0 H LEU A 123 -12.652 -9.308 6.466 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.777 -7.001 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.564 -9.127 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.254 -9.510 4.311 1.00 0.00 H new ATOM 0 HG LEU A 123 -13.636 -7.408 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -11.917 -7.251 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.296 -6.758 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.875 -8.354 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -13.739 -8.933 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -12.816 -10.147 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -14.437 -9.659 2.281 1.00 0.00 H new ATOM 2001 N HIS A 124 -15.033 -7.423 5.267 1.00 0.00 N ATOM 2002 CA HIS A 124 -16.302 -6.716 5.234 1.00 0.00 C ATOM 2003 C HIS A 124 -16.181 -5.408 6.019 1.00 0.00 C ATOM 2004 O HIS A 124 -16.467 -4.335 5.491 1.00 0.00 O ATOM 2005 CB HIS A 124 -17.436 -7.609 5.741 1.00 0.00 C ATOM 2006 CG HIS A 124 -18.171 -8.348 4.649 1.00 0.00 C ATOM 2007 ND1 HIS A 124 -18.220 -9.678 4.350 1.00 0.00 N flip ATOM 2008 CD2 HIS A 124 -18.969 -7.709 3.717 1.00 0.00 C flip ATOM 2009 CE1 HIS A 124 -19.006 -9.842 3.293 1.00 0.00 C flip ATOM 2010 NE2 HIS A 124 -19.471 -8.622 2.899 1.00 0.00 N flip ATOM 0 H HIS A 124 -15.110 -8.430 5.409 1.00 0.00 H new ATOM 0 HA HIS A 124 -16.553 -6.460 4.205 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -17.027 -8.334 6.444 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.148 -6.996 6.293 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -19.152 -6.646 3.665 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -19.239 -10.786 2.823 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -20.096 -8.444 2.113 1.00 0.00 H new ATOM 2018 N MET A 125 -15.757 -5.541 7.267 1.00 0.00 N ATOM 2019 CA MET A 125 -15.594 -4.383 8.129 1.00 0.00 C ATOM 2020 C MET A 125 -14.725 -3.317 7.459 1.00 0.00 C ATOM 2021 O MET A 125 -15.126 -2.159 7.358 1.00 0.00 O ATOM 2022 CB MET A 125 -14.948 -4.815 9.447 1.00 0.00 C ATOM 2023 CG MET A 125 -15.576 -4.080 10.633 1.00 0.00 C ATOM 2024 SD MET A 125 -14.298 -3.396 11.674 1.00 0.00 S ATOM 2025 CE MET A 125 -13.725 -4.883 12.479 1.00 0.00 C ATOM 0 H MET A 125 -15.521 -6.433 7.702 1.00 0.00 H new ATOM 0 HA MET A 125 -16.578 -3.954 8.319 1.00 0.00 H new ATOM 0 HB2 MET A 125 -15.065 -5.891 9.578 1.00 0.00 H new ATOM 0 HB3 MET A 125 -13.877 -4.613 9.415 1.00 0.00 H new ATOM 0 HG2 MET A 125 -16.229 -3.284 10.274 1.00 0.00 H new ATOM 0 HG3 MET A 125 -16.197 -4.766 11.209 1.00 0.00 H new ATOM 0 HE1 MET A 125 -13.692 -4.724 13.557 1.00 0.00 H new ATOM 0 HE2 MET A 125 -14.406 -5.704 12.254 1.00 0.00 H new ATOM 0 HE3 MET A 125 -12.727 -5.131 12.118 1.00 0.00 H new ATOM 2035 N PHE A 126 -13.552 -3.748 7.018 1.00 0.00 N ATOM 2036 CA PHE A 126 -12.623 -2.844 6.360 1.00 0.00 C ATOM 2037 C PHE A 126 -13.348 -1.951 5.352 1.00 0.00 C ATOM 2038 O PHE A 126 -12.899 -0.844 5.062 1.00 0.00 O ATOM 2039 CB PHE A 126 -11.606 -3.713 5.617 1.00 0.00 C ATOM 2040 CG PHE A 126 -10.331 -2.970 5.213 1.00 0.00 C ATOM 2041 CD1 PHE A 126 -9.284 -2.896 6.078 1.00 0.00 C ATOM 2042 CD2 PHE A 126 -10.244 -2.384 3.989 1.00 0.00 C ATOM 2043 CE1 PHE A 126 -8.101 -2.207 5.704 1.00 0.00 C ATOM 2044 CE2 PHE A 126 -9.060 -1.695 3.614 1.00 0.00 C ATOM 2045 CZ PHE A 126 -8.014 -1.621 4.480 1.00 0.00 C ATOM 0 H PHE A 126 -13.224 -4.710 7.103 1.00 0.00 H new ATOM 0 HA PHE A 126 -12.145 -2.199 7.097 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -11.336 -4.560 6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -12.076 -4.120 4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.353 -3.362 7.050 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -11.075 -2.443 3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -7.270 -2.148 6.391 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -8.990 -1.230 2.642 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.114 -1.097 4.195 1.00 0.00 H new ATOM 2055 N LEU A 127 -14.458 -2.467 4.844 1.00 0.00 N ATOM 2056 CA LEU A 127 -15.250 -1.730 3.873 1.00 0.00 C ATOM 2057 C LEU A 127 -16.606 -1.381 4.488 1.00 0.00 C ATOM 2058 O LEU A 127 -17.030 -2.003 5.460 1.00 0.00 O ATOM 2059 CB LEU A 127 -15.351 -2.511 2.561 1.00 0.00 C ATOM 2060 CG LEU A 127 -14.093 -3.267 2.131 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -14.452 -4.608 1.488 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -13.222 -2.406 1.214 1.00 0.00 C ATOM 0 H LEU A 127 -14.828 -3.386 5.086 1.00 0.00 H new ATOM 0 HA LEU A 127 -14.763 -0.788 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -16.168 -3.227 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.622 -1.815 1.767 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.504 -3.485 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -13.539 -5.125 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.999 -5.220 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.073 -4.435 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -12.334 -2.967 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -13.788 -2.135 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -12.922 -1.501 1.742 1.00 0.00 H new ATOM 2074 N GLN A 128 -17.250 -0.386 3.895 1.00 0.00 N ATOM 2075 CA GLN A 128 -18.551 0.053 4.372 1.00 0.00 C ATOM 2076 C GLN A 128 -18.404 0.802 5.698 1.00 0.00 C ATOM 2077 O GLN A 128 -18.824 1.952 5.816 1.00 0.00 O ATOM 2078 CB GLN A 128 -19.511 -1.129 4.513 1.00 0.00 C ATOM 2079 CG GLN A 128 -19.582 -1.937 3.215 1.00 0.00 C ATOM 2080 CD GLN A 128 -20.314 -3.262 3.433 1.00 0.00 C ATOM 2081 OE1 GLN A 128 -20.338 -3.817 4.519 1.00 0.00 O ATOM 2082 NE2 GLN A 128 -20.910 -3.736 2.343 1.00 0.00 N ATOM 0 H GLN A 128 -16.895 0.128 3.089 1.00 0.00 H new ATOM 0 HA GLN A 128 -18.975 0.736 3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.183 -1.773 5.329 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -20.505 -0.766 4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -20.095 -1.356 2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -18.574 -2.130 2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -20.851 -3.221 1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -21.426 -4.615 2.385 1.00 0.00 H new ATOM 2091 N GLU A 129 -17.806 0.119 6.664 1.00 0.00 N ATOM 2092 CA GLU A 129 -17.599 0.705 7.977 1.00 0.00 C ATOM 2093 C GLU A 129 -16.500 1.768 7.917 1.00 0.00 C ATOM 2094 O GLU A 129 -15.355 1.464 7.588 1.00 0.00 O ATOM 2095 CB GLU A 129 -17.264 -0.371 9.011 1.00 0.00 C ATOM 2096 CG GLU A 129 -18.537 -0.946 9.636 1.00 0.00 C ATOM 2097 CD GLU A 129 -18.941 -0.155 10.882 1.00 0.00 C ATOM 2098 OE1 GLU A 129 -18.024 0.403 11.522 1.00 0.00 O ATOM 2099 OE2 GLU A 129 -20.158 -0.128 11.167 1.00 0.00 O ATOM 0 H GLU A 129 -17.458 -0.835 6.563 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.526 1.186 8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.694 -1.170 8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.631 0.053 9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.347 -0.922 8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.377 -1.991 9.900 1.00 0.00 H new ATOM 2106 N GLU A 130 -16.888 2.994 8.238 1.00 0.00 N ATOM 2107 CA GLU A 130 -15.950 4.103 8.224 1.00 0.00 C ATOM 2108 C GLU A 130 -14.651 3.708 8.928 1.00 0.00 C ATOM 2109 O GLU A 130 -13.579 3.744 8.325 1.00 0.00 O ATOM 2110 CB GLU A 130 -16.565 5.349 8.866 1.00 0.00 C ATOM 2111 CG GLU A 130 -17.208 5.011 10.213 1.00 0.00 C ATOM 2112 CD GLU A 130 -18.481 5.830 10.434 1.00 0.00 C ATOM 2113 OE1 GLU A 130 -19.281 5.906 9.477 1.00 0.00 O ATOM 2114 OE2 GLU A 130 -18.625 6.363 11.556 1.00 0.00 O ATOM 0 H GLU A 130 -17.839 3.243 8.509 1.00 0.00 H new ATOM 0 HA GLU A 130 -15.719 4.345 7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -15.795 6.108 9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -17.314 5.775 8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -17.444 3.948 10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -16.500 5.209 11.018 1.00 0.00 H new ATOM 2121 N ALA A 131 -14.788 3.341 10.194 1.00 0.00 N ATOM 2122 CA ALA A 131 -13.638 2.940 10.986 1.00 0.00 C ATOM 2123 C ALA A 131 -13.787 1.471 11.386 1.00 0.00 C ATOM 2124 O ALA A 131 -14.840 0.871 11.177 1.00 0.00 O ATOM 2125 CB ALA A 131 -13.506 3.864 12.198 1.00 0.00 C ATOM 0 H ALA A 131 -15.678 3.313 10.691 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.721 3.032 10.405 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.643 3.563 12.792 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -13.373 4.892 11.859 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -14.408 3.796 12.807 1.00 0.00 H new ATOM 2131 N ILE A 132 -12.718 0.935 11.956 1.00 0.00 N ATOM 2132 CA ILE A 132 -12.717 -0.453 12.387 1.00 0.00 C ATOM 2133 C ILE A 132 -12.738 -0.507 13.916 1.00 0.00 C ATOM 2134 O ILE A 132 -12.171 0.359 14.579 1.00 0.00 O ATOM 2135 CB ILE A 132 -11.542 -1.208 11.762 1.00 0.00 C ATOM 2136 CG1 ILE A 132 -11.801 -1.496 10.282 1.00 0.00 C ATOM 2137 CG2 ILE A 132 -11.228 -2.482 12.548 1.00 0.00 C ATOM 2138 CD1 ILE A 132 -10.489 -1.732 9.531 1.00 0.00 C ATOM 0 H ILE A 132 -11.847 1.436 12.129 1.00 0.00 H new ATOM 0 HA ILE A 132 -13.615 -0.961 12.036 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.659 -0.571 11.816 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -12.442 -2.372 10.185 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -12.335 -0.659 9.833 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -10.389 -2.999 12.082 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.969 -2.222 13.574 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -12.101 -3.134 12.548 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.702 -1.934 8.481 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -9.860 -0.845 9.609 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -9.969 -2.585 9.967 1.00 0.00 H new ATOM 2150 N ASP A 133 -13.399 -1.533 14.431 1.00 0.00 N ATOM 2151 CA ASP A 133 -13.503 -1.712 15.869 1.00 0.00 C ATOM 2152 C ASP A 133 -12.611 -2.878 16.299 1.00 0.00 C ATOM 2153 O ASP A 133 -13.090 -3.997 16.479 1.00 0.00 O ATOM 2154 CB ASP A 133 -14.939 -2.037 16.282 1.00 0.00 C ATOM 2155 CG ASP A 133 -15.943 -0.900 16.083 1.00 0.00 C ATOM 2156 OD1 ASP A 133 -15.915 -0.305 14.984 1.00 0.00 O ATOM 2157 OD2 ASP A 133 -16.716 -0.652 17.033 1.00 0.00 O ATOM 0 H ASP A 133 -13.868 -2.250 13.877 1.00 0.00 H new ATOM 0 HA ASP A 133 -13.193 -0.783 16.347 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -15.277 -2.903 15.714 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.942 -2.324 17.333 1.00 0.00 H new ATOM 2162 N ARG A 134 -11.330 -2.577 16.452 1.00 0.00 N ATOM 2163 CA ARG A 134 -10.367 -3.587 16.858 1.00 0.00 C ATOM 2164 C ARG A 134 -10.986 -4.524 17.897 1.00 0.00 C ATOM 2165 O ARG A 134 -11.690 -4.075 18.801 1.00 0.00 O ATOM 2166 CB ARG A 134 -9.109 -2.944 17.446 1.00 0.00 C ATOM 2167 CG ARG A 134 -8.318 -2.201 16.368 1.00 0.00 C ATOM 2168 CD ARG A 134 -6.819 -2.477 16.499 1.00 0.00 C ATOM 2169 NE ARG A 134 -6.116 -1.254 16.946 1.00 0.00 N ATOM 2170 CZ ARG A 134 -4.867 -1.241 17.432 1.00 0.00 C ATOM 2171 NH1 ARG A 134 -4.176 -2.384 17.536 1.00 0.00 N ATOM 2172 NH2 ARG A 134 -4.309 -0.084 17.813 1.00 0.00 N ATOM 0 H ARG A 134 -10.936 -1.648 16.302 1.00 0.00 H new ATOM 0 HA ARG A 134 -10.090 -4.156 15.971 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -9.388 -2.251 18.240 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.481 -3.712 17.898 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -8.663 -2.509 15.381 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -8.503 -1.130 16.450 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -6.650 -3.284 17.212 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.417 -2.808 15.542 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.613 -0.366 16.880 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -4.600 -3.265 17.245 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -3.225 -2.373 17.906 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -4.835 0.786 17.733 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -3.359 -0.074 18.183 1.00 0.00 H new