USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 985 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot -110:sc= -2.09! USER MOD Set 1.2: A 74 HIS : no HD1:sc= -3.94! C(o=-6!,f=-10!) USER MOD Set 2.1: A 10 TYR OH : rot 30:sc= -0.894 USER MOD Set 2.2: A 34 ASN : amide:sc= -0.855 K(o=-9.2,f=-11) USER MOD Set 2.3: A 52 GLN : amide:sc= -7.26! C(o=-9.2!,f=-9.4!) USER MOD Set 2.4: A 95 MET CE :methyl 174:sc= -0.17 (180deg=-0.262) USER MOD Set 3.1: A 7 THR OG1 : rot 81:sc= 0.122 USER MOD Set 3.2: A 85 SER OG : rot -3:sc= 0.393 USER MOD Single : A 6 THR OG1 : rot -18:sc= 0.588 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.201 F(o=-1.3,f=-0.2) USER MOD Single : A 15 HIS :FLIP no HE2:sc= 0.174 F(o=-0.64,f=0.17) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -90:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.574 F(o=-3.4!,f=-0.57) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.872 X(o=-0.87,f=-0.8) USER MOD Single : A 70 SER OG : rot 85:sc= 0.513 USER MOD Single : A 81 MET CE :methyl 179:sc= -3.34 (180deg=-3.44) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0.0164 K(o=0.016,f=-0.57) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -31:sc= 0.208 USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 5 17.059 -2.983 4.173 1.00 0.00 N ATOM 63 CA LEU A 5 15.772 -2.454 3.746 1.00 0.00 C ATOM 64 C LEU A 5 14.685 -2.832 4.740 1.00 0.00 C ATOM 65 O LEU A 5 14.935 -3.543 5.713 1.00 0.00 O ATOM 66 CB LEU A 5 15.422 -2.991 2.355 1.00 0.00 C ATOM 67 CG LEU A 5 14.815 -1.970 1.392 1.00 0.00 C ATOM 68 CD1 LEU A 5 15.816 -0.863 1.097 1.00 0.00 C ATOM 69 CD2 LEU A 5 14.376 -2.653 0.102 1.00 0.00 C ATOM 0 HA LEU A 5 15.839 -1.367 3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 5 16.326 -3.398 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.722 -3.819 2.469 1.00 0.00 H new ATOM 0 HG LEU A 5 13.937 -1.526 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 5 15.371 -0.143 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 5 16.086 -0.360 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.710 -1.292 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 5 13.946 -1.913 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 5 15.238 -3.121 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.630 -3.414 0.329 1.00 0.00 H new ATOM 81 N THR A 6 13.478 -2.346 4.489 1.00 0.00 N ATOM 82 CA THR A 6 12.348 -2.614 5.361 1.00 0.00 C ATOM 83 C THR A 6 11.036 -2.433 4.600 1.00 0.00 C ATOM 84 O THR A 6 10.991 -1.724 3.598 1.00 0.00 O ATOM 85 CB THR A 6 12.384 -1.681 6.584 1.00 0.00 C ATOM 86 OG1 THR A 6 13.614 -1.859 7.297 1.00 0.00 O ATOM 87 CG2 THR A 6 11.217 -1.950 7.519 1.00 0.00 C ATOM 0 H THR A 6 13.257 -1.761 3.683 1.00 0.00 H new ATOM 0 HA THR A 6 12.413 -3.646 5.706 1.00 0.00 H new ATOM 0 HB THR A 6 12.308 -0.655 6.224 1.00 0.00 H new ATOM 0 HG1 THR A 6 14.026 -2.707 7.031 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.272 -1.275 8.373 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.280 -1.787 6.987 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.261 -2.981 7.869 1.00 0.00 H new ATOM 95 N THR A 7 9.974 -3.077 5.071 1.00 0.00 N ATOM 96 CA THR A 7 8.677 -2.981 4.405 1.00 0.00 C ATOM 97 C THR A 7 7.560 -2.581 5.362 1.00 0.00 C ATOM 98 O THR A 7 7.016 -3.420 6.080 1.00 0.00 O ATOM 99 CB THR A 7 8.284 -4.313 3.739 1.00 0.00 C ATOM 100 OG1 THR A 7 9.325 -4.744 2.855 1.00 0.00 O ATOM 101 CG2 THR A 7 6.980 -4.164 2.961 1.00 0.00 C ATOM 0 H THR A 7 9.983 -3.666 5.903 1.00 0.00 H new ATOM 0 HA THR A 7 8.794 -2.205 3.649 1.00 0.00 H new ATOM 0 HB THR A 7 8.141 -5.058 4.522 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.035 -5.179 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.721 -5.117 2.499 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.183 -3.862 3.641 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.103 -3.407 2.187 1.00 0.00 H new ATOM 109 N LEU A 8 7.219 -1.296 5.367 1.00 0.00 N ATOM 110 CA LEU A 8 6.144 -0.798 6.193 1.00 0.00 C ATOM 111 C LEU A 8 4.866 -0.780 5.376 1.00 0.00 C ATOM 112 O LEU A 8 4.838 -0.243 4.276 1.00 0.00 O ATOM 113 CB LEU A 8 6.438 0.611 6.683 1.00 0.00 C ATOM 114 CG LEU A 8 5.194 1.360 7.131 1.00 0.00 C ATOM 115 CD1 LEU A 8 5.341 1.859 8.552 1.00 0.00 C ATOM 116 CD2 LEU A 8 4.888 2.501 6.183 1.00 0.00 C ATOM 0 H LEU A 8 7.680 -0.583 4.802 1.00 0.00 H new ATOM 0 HA LEU A 8 6.039 -1.451 7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.143 0.561 7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.925 1.172 5.885 1.00 0.00 H new ATOM 0 HG LEU A 8 4.354 0.666 7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.436 2.391 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.498 1.012 9.221 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.195 2.533 8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.994 3.025 6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.729 3.194 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.720 2.106 5.181 1.00 0.00 H new ATOM 128 N ILE A 9 3.813 -1.359 5.908 1.00 0.00 N ATOM 129 CA ILE A 9 2.544 -1.395 5.207 1.00 0.00 C ATOM 130 C ILE A 9 1.441 -0.875 6.121 1.00 0.00 C ATOM 131 O ILE A 9 1.443 -1.165 7.305 1.00 0.00 O ATOM 132 CB ILE A 9 2.248 -2.829 4.724 1.00 0.00 C ATOM 133 CG1 ILE A 9 3.348 -3.282 3.753 1.00 0.00 C ATOM 134 CG2 ILE A 9 0.877 -2.920 4.077 1.00 0.00 C ATOM 135 CD1 ILE A 9 3.134 -4.666 3.183 1.00 0.00 C ATOM 0 H ILE A 9 3.807 -1.811 6.822 1.00 0.00 H new ATOM 0 HA ILE A 9 2.590 -0.751 4.329 1.00 0.00 H new ATOM 0 HB ILE A 9 2.242 -3.495 5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.410 -2.568 2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.307 -3.258 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.698 -3.943 3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.114 -2.633 4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.834 -2.249 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.953 -4.912 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.103 -5.393 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.192 -4.692 2.636 1.00 0.00 H new ATOM 147 N TYR A 10 0.519 -0.080 5.590 1.00 0.00 N ATOM 148 CA TYR A 10 -0.550 0.474 6.416 1.00 0.00 C ATOM 149 C TYR A 10 -1.879 0.539 5.683 1.00 0.00 C ATOM 150 O TYR A 10 -1.951 0.364 4.467 1.00 0.00 O ATOM 151 CB TYR A 10 -0.185 1.886 6.898 1.00 0.00 C ATOM 152 CG TYR A 10 -0.060 2.904 5.787 1.00 0.00 C ATOM 153 CD1 TYR A 10 -1.187 3.506 5.240 1.00 0.00 C ATOM 154 CD2 TYR A 10 1.184 3.271 5.292 1.00 0.00 C ATOM 155 CE1 TYR A 10 -1.079 4.441 4.231 1.00 0.00 C ATOM 156 CE2 TYR A 10 1.301 4.207 4.284 1.00 0.00 C ATOM 157 CZ TYR A 10 0.166 4.789 3.756 1.00 0.00 C ATOM 158 OH TYR A 10 0.275 5.721 2.752 1.00 0.00 O ATOM 0 H TYR A 10 0.488 0.193 4.608 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.660 -0.200 7.266 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.944 2.225 7.603 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.758 1.840 7.442 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.165 3.237 5.611 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.074 2.817 5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.966 4.897 3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.276 4.483 3.910 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.469 6.356 2.812 1.00 0.00 H new ATOM 168 N ARG A 11 -2.929 0.790 6.453 1.00 0.00 N ATOM 169 CA ARG A 11 -4.270 0.928 5.914 1.00 0.00 C ATOM 170 C ARG A 11 -4.967 2.127 6.508 1.00 0.00 C ATOM 171 O ARG A 11 -5.000 2.303 7.721 1.00 0.00 O ATOM 172 CB ARG A 11 -5.116 -0.297 6.193 1.00 0.00 C ATOM 173 CG ARG A 11 -5.038 -1.331 5.107 1.00 0.00 C ATOM 174 CD ARG A 11 -5.976 -2.499 5.371 1.00 0.00 C ATOM 175 NE ARG A 11 -5.872 -2.992 6.742 1.00 0.00 N ATOM 176 CZ ARG A 11 -6.312 -4.185 7.132 1.00 0.00 C ATOM 177 NH1 ARG A 11 -6.894 -4.999 6.262 1.00 0.00 N ATOM 178 NH2 ARG A 11 -6.172 -4.565 8.396 1.00 0.00 N ATOM 0 H ARG A 11 -2.873 0.903 7.465 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.160 1.052 4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.797 -0.744 7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.155 0.008 6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.288 -0.873 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.015 -1.698 5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.003 -2.190 5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.749 -3.309 4.677 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.438 -2.388 7.439 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.006 -4.711 5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.230 -5.913 6.565 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.727 -3.942 9.070 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.510 -5.480 8.694 1.00 0.00 H new ATOM 192 N SER A 12 -5.545 2.932 5.648 1.00 0.00 N ATOM 193 CA SER A 12 -6.264 4.109 6.087 1.00 0.00 C ATOM 194 C SER A 12 -7.657 4.088 5.504 1.00 0.00 C ATOM 195 O SER A 12 -8.151 3.041 5.085 1.00 0.00 O ATOM 196 CB SER A 12 -5.557 5.390 5.643 1.00 0.00 C ATOM 197 OG SER A 12 -5.550 5.507 4.232 1.00 0.00 O ATOM 0 H SER A 12 -5.532 2.795 4.637 1.00 0.00 H new ATOM 0 HA SER A 12 -6.305 4.097 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.057 6.255 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.533 5.391 6.016 1.00 0.00 H new ATOM 0 HG SER A 12 -4.637 5.382 3.898 1.00 0.00 H new ATOM 203 N GLN A 13 -8.282 5.247 5.461 1.00 0.00 N ATOM 204 CA GLN A 13 -9.611 5.355 4.900 1.00 0.00 C ATOM 205 C GLN A 13 -9.687 6.514 3.917 1.00 0.00 C ATOM 206 O GLN A 13 -8.799 6.704 3.087 1.00 0.00 O ATOM 207 CB GLN A 13 -10.660 5.511 5.997 1.00 0.00 C ATOM 208 CG GLN A 13 -10.597 4.442 7.057 1.00 0.00 C ATOM 209 CD GLN A 13 -11.945 3.807 7.338 1.00 0.00 C ATOM 210 OE1 GLN A 13 -13.000 4.610 7.294 1.00 0.00 O flip ATOM 211 NE2 GLN A 13 -12.033 2.610 7.612 1.00 0.00 N flip ATOM 0 H GLN A 13 -7.892 6.124 5.807 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.823 4.432 4.361 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.536 6.485 6.469 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.651 5.501 5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.895 3.669 6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.206 4.874 7.978 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.195 2.029 7.634 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.944 2.199 7.817 1.00 0.00 H new ATOM 220 N VAL A 14 -10.760 7.269 4.016 1.00 0.00 N ATOM 221 CA VAL A 14 -10.995 8.411 3.149 1.00 0.00 C ATOM 222 C VAL A 14 -12.205 9.185 3.654 1.00 0.00 C ATOM 223 O VAL A 14 -12.772 8.838 4.685 1.00 0.00 O ATOM 224 CB VAL A 14 -11.260 7.952 1.702 1.00 0.00 C ATOM 225 CG1 VAL A 14 -12.704 7.502 1.562 1.00 0.00 C ATOM 226 CG2 VAL A 14 -10.928 9.053 0.704 1.00 0.00 C ATOM 0 H VAL A 14 -11.498 7.110 4.701 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.108 9.045 3.161 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.607 7.108 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.887 7.178 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.894 6.673 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.369 8.331 1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.125 8.699 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.545 9.928 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.876 9.322 0.795 1.00 0.00 H new ATOM 236 N HIS A 15 -12.603 10.216 2.929 1.00 0.00 N ATOM 237 CA HIS A 15 -13.756 11.003 3.311 1.00 0.00 C ATOM 238 C HIS A 15 -15.008 10.489 2.604 1.00 0.00 C ATOM 239 O HIS A 15 -15.264 10.841 1.458 1.00 0.00 O ATOM 240 CB HIS A 15 -13.530 12.465 2.967 1.00 0.00 C ATOM 241 CG HIS A 15 -12.776 13.220 4.009 1.00 0.00 C ATOM 242 ND1 HIS A 15 -11.448 13.407 4.163 1.00 0.00 N flip ATOM 243 CD2 HIS A 15 -13.382 13.895 5.047 1.00 0.00 C flip ATOM 244 CE1 HIS A 15 -11.273 14.186 5.279 1.00 0.00 C flip ATOM 245 NE2 HIS A 15 -12.455 14.467 5.795 1.00 0.00 N flip ATOM 0 H HIS A 15 -12.143 10.525 2.073 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.898 10.910 4.388 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -12.988 12.527 2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.496 12.945 2.812 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -10.712 13.038 3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.447 13.948 5.221 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.322 14.516 5.671 1.00 0.00 H new ATOM 254 N PRO A 16 -15.806 9.643 3.270 1.00 0.00 N ATOM 255 CA PRO A 16 -17.039 9.093 2.689 1.00 0.00 C ATOM 256 C PRO A 16 -17.980 10.166 2.150 1.00 0.00 C ATOM 257 O PRO A 16 -19.042 9.858 1.608 1.00 0.00 O ATOM 258 CB PRO A 16 -17.697 8.367 3.862 1.00 0.00 C ATOM 259 CG PRO A 16 -16.982 8.846 5.080 1.00 0.00 C ATOM 260 CD PRO A 16 -15.585 9.133 4.630 1.00 0.00 C ATOM 0 HA PRO A 16 -16.818 8.456 1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.761 8.595 3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.608 7.286 3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.455 9.739 5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.995 8.091 5.866 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.093 9.868 5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.962 8.239 4.635 1.00 0.00 H new ATOM 268 N ASP A 17 -17.586 11.421 2.302 1.00 0.00 N ATOM 269 CA ASP A 17 -18.402 12.540 1.846 1.00 0.00 C ATOM 270 C ASP A 17 -17.757 13.336 0.700 1.00 0.00 C ATOM 271 O ASP A 17 -18.462 14.022 -0.040 1.00 0.00 O ATOM 272 CB ASP A 17 -18.690 13.475 3.021 1.00 0.00 C ATOM 273 CG ASP A 17 -19.714 14.539 2.676 1.00 0.00 C ATOM 274 OD1 ASP A 17 -19.312 15.608 2.169 1.00 0.00 O ATOM 275 OD2 ASP A 17 -20.918 14.303 2.913 1.00 0.00 O ATOM 0 H ASP A 17 -16.705 11.692 2.738 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.327 12.117 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -19.049 12.890 3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.763 13.955 3.335 1.00 0.00 H new ATOM 280 N ARG A 18 -16.431 13.257 0.542 1.00 0.00 N ATOM 281 CA ARG A 18 -15.757 14.003 -0.509 1.00 0.00 C ATOM 282 C ARG A 18 -15.797 13.260 -1.852 1.00 0.00 C ATOM 283 O ARG A 18 -16.215 12.103 -1.917 1.00 0.00 O ATOM 284 CB ARG A 18 -14.318 14.293 -0.063 1.00 0.00 C ATOM 285 CG ARG A 18 -13.256 13.370 -0.625 1.00 0.00 C ATOM 286 CD ARG A 18 -13.562 11.915 -0.373 1.00 0.00 C ATOM 287 NE ARG A 18 -12.795 11.025 -1.239 1.00 0.00 N ATOM 288 CZ ARG A 18 -13.284 9.905 -1.763 1.00 0.00 C ATOM 289 NH1 ARG A 18 -14.533 9.537 -1.504 1.00 0.00 N ATOM 290 NH2 ARG A 18 -12.526 9.152 -2.547 1.00 0.00 N ATOM 0 H ARG A 18 -15.815 12.689 1.124 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.280 14.945 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.069 15.316 -0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.278 14.243 1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.164 13.538 -1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.292 13.617 -0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.347 11.677 0.669 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.627 11.739 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.830 11.276 -1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.120 10.114 -0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.905 8.677 -1.907 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.566 9.431 -2.749 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.903 8.293 -2.948 1.00 0.00 H new ATOM 304 N PRO A 19 -15.374 13.927 -2.940 1.00 0.00 N ATOM 305 CA PRO A 19 -15.351 13.325 -4.271 1.00 0.00 C ATOM 306 C PRO A 19 -14.217 12.313 -4.420 1.00 0.00 C ATOM 307 O PRO A 19 -13.387 12.173 -3.523 1.00 0.00 O ATOM 308 CB PRO A 19 -15.146 14.513 -5.214 1.00 0.00 C ATOM 309 CG PRO A 19 -14.571 15.614 -4.382 1.00 0.00 C ATOM 310 CD PRO A 19 -14.892 15.314 -2.940 1.00 0.00 C ATOM 0 HA PRO A 19 -16.264 12.768 -4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.473 14.250 -6.030 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.090 14.819 -5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.493 15.681 -4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.992 16.575 -4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.011 15.426 -2.308 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.650 15.996 -2.554 1.00 0.00 H new ATOM 318 N PRO A 20 -14.160 11.598 -5.558 1.00 0.00 N ATOM 319 CA PRO A 20 -13.125 10.586 -5.801 1.00 0.00 C ATOM 320 C PRO A 20 -11.713 11.148 -5.659 1.00 0.00 C ATOM 321 O PRO A 20 -11.500 12.357 -5.770 1.00 0.00 O ATOM 322 CB PRO A 20 -13.386 10.138 -7.241 1.00 0.00 C ATOM 323 CG PRO A 20 -14.813 10.486 -7.498 1.00 0.00 C ATOM 324 CD PRO A 20 -15.083 11.728 -6.700 1.00 0.00 C ATOM 0 HA PRO A 20 -13.177 9.773 -5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.723 10.648 -7.940 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.213 9.068 -7.360 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.988 10.658 -8.560 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.474 9.675 -7.194 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.884 12.630 -7.279 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.122 11.780 -6.375 1.00 0.00 H new ATOM 332 N VAL A 21 -10.751 10.263 -5.410 1.00 0.00 N ATOM 333 CA VAL A 21 -9.361 10.663 -5.246 1.00 0.00 C ATOM 334 C VAL A 21 -8.653 10.763 -6.585 1.00 0.00 C ATOM 335 O VAL A 21 -9.006 10.071 -7.541 1.00 0.00 O ATOM 336 CB VAL A 21 -8.580 9.661 -4.383 1.00 0.00 C ATOM 337 CG1 VAL A 21 -7.147 10.113 -4.220 1.00 0.00 C ATOM 338 CG2 VAL A 21 -9.218 9.471 -3.024 1.00 0.00 C ATOM 0 H VAL A 21 -10.913 9.260 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.384 11.637 -4.757 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.601 8.701 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.606 9.393 -3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.674 10.183 -5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.126 11.090 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.635 8.755 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.246 10.426 -2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.234 9.096 -3.148 1.00 0.00 H new ATOM 348 N ASP A 22 -7.652 11.633 -6.649 1.00 0.00 N ATOM 349 CA ASP A 22 -6.866 11.788 -7.856 1.00 0.00 C ATOM 350 C ASP A 22 -5.773 10.740 -7.869 1.00 0.00 C ATOM 351 O ASP A 22 -4.596 11.052 -7.930 1.00 0.00 O ATOM 352 CB ASP A 22 -6.271 13.190 -7.946 1.00 0.00 C ATOM 353 CG ASP A 22 -7.333 14.264 -8.073 1.00 0.00 C ATOM 354 OD1 ASP A 22 -7.800 14.764 -7.029 1.00 0.00 O ATOM 355 OD2 ASP A 22 -7.699 14.605 -9.219 1.00 0.00 O ATOM 0 H ASP A 22 -7.370 12.238 -5.878 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.511 11.652 -8.724 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.668 13.383 -7.059 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.601 13.243 -8.804 1.00 0.00 H new ATOM 360 N LEU A 23 -6.210 9.494 -7.807 1.00 0.00 N ATOM 361 CA LEU A 23 -5.347 8.320 -7.786 1.00 0.00 C ATOM 362 C LEU A 23 -4.330 8.285 -8.918 1.00 0.00 C ATOM 363 O LEU A 23 -3.614 7.305 -9.075 1.00 0.00 O ATOM 364 CB LEU A 23 -6.235 7.099 -7.844 1.00 0.00 C ATOM 365 CG LEU A 23 -7.380 7.138 -6.838 1.00 0.00 C ATOM 366 CD1 LEU A 23 -8.402 6.058 -7.136 1.00 0.00 C ATOM 367 CD2 LEU A 23 -6.837 6.975 -5.429 1.00 0.00 C ATOM 0 H LEU A 23 -7.203 9.262 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.758 8.349 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.647 7.005 -8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.631 6.210 -7.662 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.877 8.105 -6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.208 6.108 -6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.810 6.209 -8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.924 5.080 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.661 7.004 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.319 6.019 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.140 7.785 -5.212 1.00 0.00 H new ATOM 379 N ASP A 24 -4.307 9.315 -9.733 1.00 0.00 N ATOM 380 CA ASP A 24 -3.354 9.418 -10.797 1.00 0.00 C ATOM 381 C ASP A 24 -2.262 10.371 -10.365 1.00 0.00 C ATOM 382 O ASP A 24 -1.069 10.130 -10.546 1.00 0.00 O ATOM 383 CB ASP A 24 -4.050 9.962 -12.021 1.00 0.00 C ATOM 384 CG ASP A 24 -4.679 8.879 -12.874 1.00 0.00 C ATOM 385 OD1 ASP A 24 -3.972 8.316 -13.736 1.00 0.00 O ATOM 386 OD2 ASP A 24 -5.880 8.593 -12.682 1.00 0.00 O ATOM 0 H ASP A 24 -4.953 10.102 -9.671 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.925 8.443 -11.028 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.822 10.666 -11.711 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.332 10.520 -12.623 1.00 0.00 H new ATOM 391 N ALA A 25 -2.725 11.461 -9.790 1.00 0.00 N ATOM 392 CA ALA A 25 -1.878 12.522 -9.289 1.00 0.00 C ATOM 393 C ALA A 25 -1.412 12.219 -7.866 1.00 0.00 C ATOM 394 O ALA A 25 -0.366 12.693 -7.418 1.00 0.00 O ATOM 395 CB ALA A 25 -2.664 13.817 -9.331 1.00 0.00 C ATOM 0 H ALA A 25 -3.721 11.637 -9.655 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.987 12.608 -9.911 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.044 14.631 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.961 14.029 -10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.554 13.723 -8.708 1.00 0.00 H new ATOM 401 N LEU A 26 -2.204 11.409 -7.176 1.00 0.00 N ATOM 402 CA LEU A 26 -1.944 11.023 -5.799 1.00 0.00 C ATOM 403 C LEU A 26 -0.717 10.130 -5.715 1.00 0.00 C ATOM 404 O LEU A 26 0.114 10.272 -4.817 1.00 0.00 O ATOM 405 CB LEU A 26 -3.196 10.317 -5.244 1.00 0.00 C ATOM 406 CG LEU A 26 -2.973 9.203 -4.212 1.00 0.00 C ATOM 407 CD1 LEU A 26 -4.242 8.982 -3.410 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.569 7.902 -4.887 1.00 0.00 C ATOM 0 H LEU A 26 -3.054 10.998 -7.563 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.735 11.907 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.838 11.073 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.746 9.894 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.166 9.514 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.077 8.190 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.511 9.903 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.051 8.694 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.418 7.131 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.356 7.588 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.643 8.052 -5.442 1.00 0.00 H new ATOM 420 N VAL A 27 -0.616 9.212 -6.662 1.00 0.00 N ATOM 421 CA VAL A 27 0.498 8.282 -6.714 1.00 0.00 C ATOM 422 C VAL A 27 1.692 8.892 -7.443 1.00 0.00 C ATOM 423 O VAL A 27 2.840 8.600 -7.120 1.00 0.00 O ATOM 424 CB VAL A 27 0.082 6.962 -7.398 1.00 0.00 C ATOM 425 CG1 VAL A 27 -0.934 7.233 -8.492 1.00 0.00 C ATOM 426 CG2 VAL A 27 1.289 6.222 -7.957 1.00 0.00 C ATOM 0 H VAL A 27 -1.298 9.091 -7.410 1.00 0.00 H new ATOM 0 HA VAL A 27 0.793 8.067 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.377 6.322 -6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.218 6.293 -8.966 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.817 7.703 -8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.497 7.897 -9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.961 5.297 -8.432 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.792 6.849 -8.693 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.980 5.989 -7.147 1.00 0.00 H new ATOM 436 N HIS A 28 1.411 9.741 -8.429 1.00 0.00 N ATOM 437 CA HIS A 28 2.467 10.389 -9.201 1.00 0.00 C ATOM 438 C HIS A 28 3.427 11.134 -8.282 1.00 0.00 C ATOM 439 O HIS A 28 4.629 10.859 -8.265 1.00 0.00 O ATOM 440 CB HIS A 28 1.863 11.360 -10.215 1.00 0.00 C ATOM 441 CG HIS A 28 2.815 11.766 -11.298 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.315 13.047 -11.422 1.00 0.00 N ATOM 443 CD2 HIS A 28 3.359 11.054 -12.312 1.00 0.00 C ATOM 444 CE1 HIS A 28 4.122 13.103 -12.465 1.00 0.00 C ATOM 445 NE2 HIS A 28 4.168 11.908 -13.022 1.00 0.00 N ATOM 0 H HIS A 28 0.464 9.995 -8.711 1.00 0.00 H new ATOM 0 HA HIS A 28 3.022 9.616 -9.733 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.985 10.899 -10.668 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.520 12.252 -9.691 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.189 10.009 -12.524 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.655 13.979 -12.805 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.715 11.659 -13.846 1.00 0.00 H new ATOM 454 N ARG A 29 2.885 12.075 -7.515 1.00 0.00 N ATOM 455 CA ARG A 29 3.694 12.861 -6.589 1.00 0.00 C ATOM 456 C ARG A 29 4.411 11.966 -5.589 1.00 0.00 C ATOM 457 O ARG A 29 5.425 12.357 -5.010 1.00 0.00 O ATOM 458 CB ARG A 29 2.833 13.892 -5.851 1.00 0.00 C ATOM 459 CG ARG A 29 2.618 15.184 -6.626 1.00 0.00 C ATOM 460 CD ARG A 29 1.784 14.962 -7.878 1.00 0.00 C ATOM 461 NE ARG A 29 1.569 16.204 -8.617 1.00 0.00 N ATOM 462 CZ ARG A 29 0.973 16.263 -9.804 1.00 0.00 C ATOM 463 NH1 ARG A 29 0.527 15.156 -10.383 1.00 0.00 N ATOM 464 NH2 ARG A 29 0.822 17.431 -10.413 1.00 0.00 N ATOM 0 H ARG A 29 1.893 12.311 -7.516 1.00 0.00 H new ATOM 0 HA ARG A 29 4.445 13.390 -7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.863 13.448 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.303 14.127 -4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.123 15.914 -5.985 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.584 15.606 -6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.282 14.238 -8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.821 14.533 -7.601 1.00 0.00 H new ATOM 0 HE ARG A 29 1.895 17.075 -8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.641 14.256 -9.917 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.070 15.205 -11.294 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.163 18.285 -9.971 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.365 17.476 -11.324 1.00 0.00 H new ATOM 478 N ALA A 30 3.881 10.768 -5.387 1.00 0.00 N ATOM 479 CA ALA A 30 4.481 9.825 -4.459 1.00 0.00 C ATOM 480 C ALA A 30 5.702 9.159 -5.073 1.00 0.00 C ATOM 481 O ALA A 30 6.810 9.280 -4.560 1.00 0.00 O ATOM 482 CB ALA A 30 3.475 8.774 -4.050 1.00 0.00 C ATOM 0 H ALA A 30 3.039 10.428 -5.852 1.00 0.00 H new ATOM 0 HA ALA A 30 4.796 10.380 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.941 8.076 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.624 9.254 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.134 8.234 -4.933 1.00 0.00 H new ATOM 488 N SER A 31 5.480 8.445 -6.172 1.00 0.00 N ATOM 489 CA SER A 31 6.550 7.753 -6.877 1.00 0.00 C ATOM 490 C SER A 31 7.729 8.681 -7.125 1.00 0.00 C ATOM 491 O SER A 31 8.853 8.227 -7.293 1.00 0.00 O ATOM 492 CB SER A 31 6.037 7.198 -8.207 1.00 0.00 C ATOM 493 OG SER A 31 7.057 6.496 -8.896 1.00 0.00 O ATOM 0 H SER A 31 4.559 8.331 -6.596 1.00 0.00 H new ATOM 0 HA SER A 31 6.887 6.927 -6.250 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.193 6.533 -8.025 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.671 8.015 -8.828 1.00 0.00 H new ATOM 0 HG SER A 31 6.702 6.150 -9.742 1.00 0.00 H new ATOM 499 N SER A 32 7.465 9.980 -7.158 1.00 0.00 N ATOM 500 CA SER A 32 8.515 10.966 -7.390 1.00 0.00 C ATOM 501 C SER A 32 9.333 11.234 -6.130 1.00 0.00 C ATOM 502 O SER A 32 10.529 11.503 -6.211 1.00 0.00 O ATOM 503 CB SER A 32 7.902 12.263 -7.901 1.00 0.00 C ATOM 504 OG SER A 32 8.905 13.182 -8.300 1.00 0.00 O ATOM 0 H SER A 32 6.534 10.377 -7.027 1.00 0.00 H new ATOM 0 HA SER A 32 9.193 10.560 -8.141 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.244 12.050 -8.744 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.286 12.709 -7.120 1.00 0.00 H new ATOM 0 HG SER A 32 8.484 14.005 -8.625 1.00 0.00 H new ATOM 510 N LYS A 33 8.683 11.189 -4.971 1.00 0.00 N ATOM 511 CA LYS A 33 9.367 11.425 -3.702 1.00 0.00 C ATOM 512 C LYS A 33 10.005 10.145 -3.165 1.00 0.00 C ATOM 513 O LYS A 33 11.144 10.150 -2.705 1.00 0.00 O ATOM 514 CB LYS A 33 8.387 11.992 -2.672 1.00 0.00 C ATOM 515 CG LYS A 33 9.044 12.383 -1.359 1.00 0.00 C ATOM 516 CD LYS A 33 8.049 13.023 -0.403 1.00 0.00 C ATOM 517 CE LYS A 33 7.810 12.155 0.824 1.00 0.00 C ATOM 518 NZ LYS A 33 7.153 12.915 1.922 1.00 0.00 N ATOM 0 H LYS A 33 7.686 10.992 -4.883 1.00 0.00 H new ATOM 0 HA LYS A 33 10.162 12.149 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.893 12.866 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.612 11.252 -2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.481 11.500 -0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.861 13.078 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.420 13.999 -0.091 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.104 13.191 -0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.188 11.303 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.761 11.756 1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.008 12.288 2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.757 13.714 2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.234 13.274 1.594 1.00 0.00 H new ATOM 532 N ASN A 34 9.256 9.056 -3.242 1.00 0.00 N ATOM 533 CA ASN A 34 9.708 7.753 -2.755 1.00 0.00 C ATOM 534 C ASN A 34 10.875 7.219 -3.574 1.00 0.00 C ATOM 535 O ASN A 34 11.785 6.596 -3.037 1.00 0.00 O ATOM 536 CB ASN A 34 8.564 6.737 -2.829 1.00 0.00 C ATOM 537 CG ASN A 34 7.619 6.794 -1.646 1.00 0.00 C ATOM 538 OD1 ASN A 34 7.746 7.648 -0.767 1.00 0.00 O ATOM 539 ND2 ASN A 34 6.656 5.878 -1.633 1.00 0.00 N ATOM 0 H ASN A 34 8.318 9.046 -3.643 1.00 0.00 H new ATOM 0 HA ASN A 34 10.033 7.891 -1.724 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.997 6.908 -3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.985 5.734 -2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.979 5.861 -0.871 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.594 5.192 -2.385 1.00 0.00 H new ATOM 546 N LEU A 35 10.847 7.474 -4.874 1.00 0.00 N ATOM 547 CA LEU A 35 11.872 6.982 -5.774 1.00 0.00 C ATOM 548 C LEU A 35 13.274 7.380 -5.315 1.00 0.00 C ATOM 549 O LEU A 35 14.086 6.520 -4.972 1.00 0.00 O ATOM 550 CB LEU A 35 11.599 7.513 -7.172 1.00 0.00 C ATOM 551 CG LEU A 35 11.050 6.499 -8.172 1.00 0.00 C ATOM 552 CD1 LEU A 35 10.937 7.130 -9.546 1.00 0.00 C ATOM 553 CD2 LEU A 35 11.915 5.250 -8.209 1.00 0.00 C ATOM 0 H LEU A 35 10.118 8.024 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 35 11.836 5.893 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.892 8.339 -7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.526 7.924 -7.572 1.00 0.00 H new ATOM 0 HG LEU A 35 10.053 6.197 -7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.544 6.398 -10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.264 7.986 -9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.922 7.461 -9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.503 4.543 -8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.929 5.519 -8.504 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.934 4.791 -7.220 1.00 0.00 H new ATOM 565 N PRO A 36 13.580 8.688 -5.301 1.00 0.00 N ATOM 566 CA PRO A 36 14.888 9.186 -4.882 1.00 0.00 C ATOM 567 C PRO A 36 15.173 8.870 -3.420 1.00 0.00 C ATOM 568 O PRO A 36 16.325 8.813 -2.991 1.00 0.00 O ATOM 569 CB PRO A 36 14.779 10.695 -5.082 1.00 0.00 C ATOM 570 CG PRO A 36 13.318 10.975 -5.036 1.00 0.00 C ATOM 571 CD PRO A 36 12.677 9.783 -5.674 1.00 0.00 C ATOM 0 HA PRO A 36 15.700 8.727 -5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.311 11.238 -4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.212 11.001 -6.035 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.973 11.107 -4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.074 11.891 -5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.666 9.619 -5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.602 9.895 -6.756 1.00 0.00 H new ATOM 579 N LEU A 37 14.099 8.669 -2.671 1.00 0.00 N ATOM 580 CA LEU A 37 14.181 8.364 -1.247 1.00 0.00 C ATOM 581 C LEU A 37 14.636 6.933 -1.006 1.00 0.00 C ATOM 582 O LEU A 37 15.128 6.597 0.072 1.00 0.00 O ATOM 583 CB LEU A 37 12.814 8.596 -0.608 1.00 0.00 C ATOM 584 CG LEU A 37 12.681 9.895 0.176 1.00 0.00 C ATOM 585 CD1 LEU A 37 13.062 11.085 -0.694 1.00 0.00 C ATOM 586 CD2 LEU A 37 11.263 10.044 0.699 1.00 0.00 C ATOM 0 H LEU A 37 13.146 8.712 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 37 14.922 9.023 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.057 8.583 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.596 7.762 0.060 1.00 0.00 H new ATOM 0 HG LEU A 37 13.364 9.864 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.961 12.004 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.094 10.977 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.404 11.127 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.177 10.976 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.566 10.058 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.027 9.205 1.353 1.00 0.00 H new ATOM 598 N GLY A 38 14.467 6.098 -2.017 1.00 0.00 N ATOM 599 CA GLY A 38 14.853 4.702 -1.904 1.00 0.00 C ATOM 600 C GLY A 38 13.667 3.832 -1.550 1.00 0.00 C ATOM 601 O GLY A 38 13.798 2.626 -1.342 1.00 0.00 O ATOM 0 H GLY A 38 14.068 6.359 -2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.286 4.365 -2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.625 4.596 -1.142 1.00 0.00 H new ATOM 605 N ILE A 39 12.506 4.467 -1.485 1.00 0.00 N ATOM 606 CA ILE A 39 11.259 3.796 -1.165 1.00 0.00 C ATOM 607 C ILE A 39 10.635 3.168 -2.406 1.00 0.00 C ATOM 608 O ILE A 39 10.830 3.649 -3.523 1.00 0.00 O ATOM 609 CB ILE A 39 10.253 4.786 -0.574 1.00 0.00 C ATOM 610 CG1 ILE A 39 10.838 5.480 0.654 1.00 0.00 C ATOM 611 CG2 ILE A 39 8.962 4.071 -0.226 1.00 0.00 C ATOM 612 CD1 ILE A 39 10.166 6.797 0.967 1.00 0.00 C ATOM 0 H ILE A 39 12.404 5.468 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 39 11.491 3.016 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 39 10.035 5.551 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.747 4.819 1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 39 11.903 5.651 0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.253 4.784 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.539 3.626 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.165 3.288 0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.627 7.240 1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.280 7.474 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.106 6.628 1.157 1.00 0.00 H new ATOM 624 N THR A 40 9.886 2.094 -2.199 1.00 0.00 N ATOM 625 CA THR A 40 9.207 1.410 -3.284 1.00 0.00 C ATOM 626 C THR A 40 7.919 0.799 -2.766 1.00 0.00 C ATOM 627 O THR A 40 7.788 0.560 -1.569 1.00 0.00 O ATOM 628 CB THR A 40 10.080 0.305 -3.901 1.00 0.00 C ATOM 629 OG1 THR A 40 11.294 0.161 -3.152 1.00 0.00 O ATOM 630 CG2 THR A 40 10.405 0.627 -5.350 1.00 0.00 C ATOM 0 H THR A 40 9.734 1.677 -1.281 1.00 0.00 H new ATOM 0 HA THR A 40 8.996 2.145 -4.061 1.00 0.00 H new ATOM 0 HB THR A 40 9.524 -0.632 -3.867 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.980 0.753 -3.525 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.024 -0.167 -5.769 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.480 0.706 -5.921 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.945 1.573 -5.400 1.00 0.00 H new ATOM 638 N GLY A 41 6.960 0.555 -3.648 1.00 0.00 N ATOM 639 CA GLY A 41 5.723 -0.027 -3.186 1.00 0.00 C ATOM 640 C GLY A 41 4.552 0.162 -4.119 1.00 0.00 C ATOM 641 O GLY A 41 4.713 0.387 -5.319 1.00 0.00 O ATOM 0 H GLY A 41 7.015 0.745 -4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.876 -1.095 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.473 0.406 -2.218 1.00 0.00 H new ATOM 645 N ILE A 42 3.366 0.067 -3.537 1.00 0.00 N ATOM 646 CA ILE A 42 2.118 0.196 -4.267 1.00 0.00 C ATOM 647 C ILE A 42 1.019 0.708 -3.346 1.00 0.00 C ATOM 648 O ILE A 42 1.082 0.530 -2.131 1.00 0.00 O ATOM 649 CB ILE A 42 1.691 -1.161 -4.872 1.00 0.00 C ATOM 650 CG1 ILE A 42 0.207 -1.172 -5.241 1.00 0.00 C ATOM 651 CG2 ILE A 42 1.974 -2.264 -3.881 1.00 0.00 C ATOM 652 CD1 ILE A 42 -0.133 -2.132 -6.357 1.00 0.00 C ATOM 0 H ILE A 42 3.244 -0.103 -2.539 1.00 0.00 H new ATOM 0 HA ILE A 42 2.274 0.909 -5.077 1.00 0.00 H new ATOM 0 HB ILE A 42 2.265 -1.319 -5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.376 -1.434 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.093 -0.166 -5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.673 -3.221 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.040 -2.286 -3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.413 -2.082 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.202 -2.085 -6.564 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.423 -1.859 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.135 -3.146 -6.059 1.00 0.00 H new ATOM 664 N LEU A 43 0.022 1.345 -3.929 1.00 0.00 N ATOM 665 CA LEU A 43 -1.098 1.864 -3.169 1.00 0.00 C ATOM 666 C LEU A 43 -2.389 1.201 -3.623 1.00 0.00 C ATOM 667 O LEU A 43 -2.446 0.605 -4.698 1.00 0.00 O ATOM 668 CB LEU A 43 -1.199 3.376 -3.326 1.00 0.00 C ATOM 669 CG LEU A 43 -0.846 4.180 -2.083 1.00 0.00 C ATOM 670 CD1 LEU A 43 -0.994 5.656 -2.375 1.00 0.00 C ATOM 671 CD2 LEU A 43 -1.728 3.776 -0.911 1.00 0.00 C ATOM 0 H LEU A 43 -0.035 1.516 -4.933 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.936 1.638 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.542 3.686 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.217 3.627 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 43 0.189 3.972 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.741 6.230 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.325 5.935 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.024 5.868 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.458 4.363 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.773 3.958 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.586 2.717 -0.697 1.00 0.00 H new ATOM 683 N LEU A 44 -3.418 1.298 -2.796 1.00 0.00 N ATOM 684 CA LEU A 44 -4.701 0.693 -3.108 1.00 0.00 C ATOM 685 C LEU A 44 -5.855 1.573 -2.659 1.00 0.00 C ATOM 686 O LEU A 44 -5.725 2.351 -1.718 1.00 0.00 O ATOM 687 CB LEU A 44 -4.807 -0.679 -2.445 1.00 0.00 C ATOM 688 CG LEU A 44 -4.229 -1.830 -3.261 1.00 0.00 C ATOM 689 CD1 LEU A 44 -2.786 -2.101 -2.874 1.00 0.00 C ATOM 690 CD2 LEU A 44 -5.070 -3.078 -3.080 1.00 0.00 C ATOM 0 H LEU A 44 -3.389 1.791 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.763 0.581 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.297 -0.642 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.857 -0.888 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.248 -1.544 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.398 -2.926 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.187 -1.209 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.736 -2.363 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.645 -3.891 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.082 -3.359 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.089 -2.882 -3.414 1.00 0.00 H new ATOM 702 N PHE A 45 -6.977 1.447 -3.350 1.00 0.00 N ATOM 703 CA PHE A 45 -8.174 2.207 -3.024 1.00 0.00 C ATOM 704 C PHE A 45 -9.410 1.391 -3.388 1.00 0.00 C ATOM 705 O PHE A 45 -9.489 0.839 -4.483 1.00 0.00 O ATOM 706 CB PHE A 45 -8.171 3.549 -3.760 1.00 0.00 C ATOM 707 CG PHE A 45 -9.241 4.499 -3.297 1.00 0.00 C ATOM 708 CD1 PHE A 45 -9.237 4.989 -2.001 1.00 0.00 C ATOM 709 CD2 PHE A 45 -10.247 4.906 -4.160 1.00 0.00 C ATOM 710 CE1 PHE A 45 -10.215 5.866 -1.572 1.00 0.00 C ATOM 711 CE2 PHE A 45 -11.228 5.783 -3.736 1.00 0.00 C ATOM 712 CZ PHE A 45 -11.212 6.263 -2.441 1.00 0.00 C ATOM 0 H PHE A 45 -7.084 0.820 -4.147 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.190 2.412 -1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.198 4.022 -3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.297 3.367 -4.827 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.460 4.682 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.264 4.534 -5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.200 6.240 -0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -12.007 6.093 -4.417 1.00 0.00 H new ATOM 0 HZ PHE A 45 -11.978 6.948 -2.109 1.00 0.00 H new ATOM 722 N ASN A 46 -10.376 1.320 -2.480 1.00 0.00 N ATOM 723 CA ASN A 46 -11.581 0.543 -2.722 1.00 0.00 C ATOM 724 C ASN A 46 -12.808 1.435 -2.639 1.00 0.00 C ATOM 725 O ASN A 46 -13.940 0.953 -2.604 1.00 0.00 O ATOM 726 CB ASN A 46 -11.687 -0.600 -1.710 1.00 0.00 C ATOM 727 CG ASN A 46 -12.155 -0.127 -0.346 1.00 0.00 C ATOM 728 OD1 ASN A 46 -11.215 0.279 0.500 1.00 0.00 O flip ATOM 729 ND2 ASN A 46 -13.352 -0.124 -0.056 1.00 0.00 N flip ATOM 0 H ASN A 46 -10.347 1.789 -1.575 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.526 0.118 -3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.380 -1.352 -2.088 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.715 -1.083 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.042 -0.444 -0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.653 0.199 0.864 1.00 0.00 H new ATOM 736 N GLY A 47 -12.568 2.740 -2.609 1.00 0.00 N ATOM 737 CA GLY A 47 -13.659 3.681 -2.529 1.00 0.00 C ATOM 738 C GLY A 47 -13.879 4.191 -1.124 1.00 0.00 C ATOM 739 O GLY A 47 -14.761 5.019 -0.888 1.00 0.00 O ATOM 0 H GLY A 47 -11.638 3.159 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.458 4.523 -3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.572 3.205 -2.887 1.00 0.00 H new ATOM 743 N LEU A 48 -13.078 3.699 -0.189 1.00 0.00 N ATOM 744 CA LEU A 48 -13.201 4.111 1.199 1.00 0.00 C ATOM 745 C LEU A 48 -11.859 4.060 1.918 1.00 0.00 C ATOM 746 O LEU A 48 -11.563 4.922 2.738 1.00 0.00 O ATOM 747 CB LEU A 48 -14.214 3.214 1.918 1.00 0.00 C ATOM 748 CG LEU A 48 -14.833 3.790 3.203 1.00 0.00 C ATOM 749 CD1 LEU A 48 -13.819 3.797 4.336 1.00 0.00 C ATOM 750 CD2 LEU A 48 -15.379 5.192 2.963 1.00 0.00 C ATOM 0 H LEU A 48 -12.340 3.018 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.549 5.144 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.021 2.981 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.724 2.272 2.165 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.664 3.147 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.280 4.209 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.487 2.778 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.963 4.410 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.811 5.577 3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.570 5.847 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.147 5.156 2.190 1.00 0.00 H new ATOM 762 N GLN A 49 -11.042 3.059 1.602 1.00 0.00 N ATOM 763 CA GLN A 49 -9.748 2.908 2.268 1.00 0.00 C ATOM 764 C GLN A 49 -8.559 2.984 1.312 1.00 0.00 C ATOM 765 O GLN A 49 -8.708 2.896 0.095 1.00 0.00 O ATOM 766 CB GLN A 49 -9.696 1.573 3.009 1.00 0.00 C ATOM 767 CG GLN A 49 -10.704 1.455 4.137 1.00 0.00 C ATOM 768 CD GLN A 49 -10.910 0.023 4.591 1.00 0.00 C ATOM 769 OE1 GLN A 49 -11.783 -0.681 4.084 1.00 0.00 O ATOM 770 NE2 GLN A 49 -10.105 -0.415 5.552 1.00 0.00 N ATOM 0 H GLN A 49 -11.247 2.349 0.899 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.664 3.746 2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.867 0.766 2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.694 1.433 3.414 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.368 2.055 4.983 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.658 1.869 3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.395 0.204 5.944 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.197 -1.370 5.898 1.00 0.00 H new ATOM 779 N PHE A 50 -7.372 3.142 1.903 1.00 0.00 N ATOM 780 CA PHE A 50 -6.114 3.203 1.157 1.00 0.00 C ATOM 781 C PHE A 50 -5.108 2.225 1.750 1.00 0.00 C ATOM 782 O PHE A 50 -4.630 2.419 2.868 1.00 0.00 O ATOM 783 CB PHE A 50 -5.495 4.602 1.201 1.00 0.00 C ATOM 784 CG PHE A 50 -5.947 5.541 0.119 1.00 0.00 C ATOM 785 CD1 PHE A 50 -5.547 5.365 -1.202 1.00 0.00 C ATOM 786 CD2 PHE A 50 -6.755 6.619 0.427 1.00 0.00 C ATOM 787 CE1 PHE A 50 -5.951 6.243 -2.179 1.00 0.00 C ATOM 788 CE2 PHE A 50 -7.160 7.501 -0.548 1.00 0.00 C ATOM 789 CZ PHE A 50 -6.756 7.310 -1.853 1.00 0.00 C ATOM 0 H PHE A 50 -7.257 3.231 2.913 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.343 2.946 0.123 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.723 5.052 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.411 4.503 1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.913 4.530 -1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.073 6.771 1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.637 6.096 -3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.791 8.339 -0.293 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.073 8.000 -2.621 1.00 0.00 H new ATOM 799 N PHE A 51 -4.789 1.179 1.007 1.00 0.00 N ATOM 800 CA PHE A 51 -3.820 0.192 1.465 1.00 0.00 C ATOM 801 C PHE A 51 -2.494 0.463 0.786 1.00 0.00 C ATOM 802 O PHE A 51 -2.422 0.496 -0.437 1.00 0.00 O ATOM 803 CB PHE A 51 -4.305 -1.214 1.141 1.00 0.00 C ATOM 804 CG PHE A 51 -3.304 -2.292 1.445 1.00 0.00 C ATOM 805 CD1 PHE A 51 -3.233 -2.872 2.699 1.00 0.00 C ATOM 806 CD2 PHE A 51 -2.437 -2.729 0.464 1.00 0.00 C ATOM 807 CE1 PHE A 51 -2.313 -3.866 2.968 1.00 0.00 C ATOM 808 CE2 PHE A 51 -1.516 -3.722 0.725 1.00 0.00 C ATOM 809 CZ PHE A 51 -1.452 -4.292 1.976 1.00 0.00 C ATOM 0 H PHE A 51 -5.184 0.989 0.086 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.700 0.267 2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.218 -1.411 1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.566 -1.262 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.906 -2.543 3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.480 -2.288 -0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.267 -4.309 3.952 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.844 -4.053 -0.053 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.731 -5.070 2.181 1.00 0.00 H new ATOM 819 N GLN A 52 -1.436 0.639 1.558 1.00 0.00 N ATOM 820 CA GLN A 52 -0.158 0.956 0.959 1.00 0.00 C ATOM 821 C GLN A 52 0.959 0.025 1.375 1.00 0.00 C ATOM 822 O GLN A 52 1.272 -0.115 2.557 1.00 0.00 O ATOM 823 CB GLN A 52 0.248 2.380 1.307 1.00 0.00 C ATOM 824 CG GLN A 52 1.433 2.860 0.495 1.00 0.00 C ATOM 825 CD GLN A 52 1.867 4.258 0.864 1.00 0.00 C ATOM 826 OE1 GLN A 52 2.692 4.450 1.754 1.00 0.00 O ATOM 827 NE2 GLN A 52 1.314 5.244 0.179 1.00 0.00 N ATOM 0 H GLN A 52 -1.436 0.570 2.576 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.301 0.837 -0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.598 3.047 1.139 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.492 2.436 2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.268 2.175 0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.177 2.831 -0.564 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.633 5.038 -0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.568 6.211 0.381 1.00 0.00 H new ATOM 836 N VAL A 53 1.557 -0.606 0.379 1.00 0.00 N ATOM 837 CA VAL A 53 2.701 -1.467 0.606 1.00 0.00 C ATOM 838 C VAL A 53 3.945 -0.626 0.441 1.00 0.00 C ATOM 839 O VAL A 53 4.365 -0.343 -0.678 1.00 0.00 O ATOM 840 CB VAL A 53 2.762 -2.656 -0.370 1.00 0.00 C ATOM 841 CG1 VAL A 53 4.148 -3.286 -0.365 1.00 0.00 C ATOM 842 CG2 VAL A 53 1.712 -3.682 -0.014 1.00 0.00 C ATOM 0 H VAL A 53 1.267 -0.537 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 53 2.619 -1.888 1.608 1.00 0.00 H new ATOM 0 HB VAL A 53 2.560 -2.287 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.169 -4.124 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.886 -2.544 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.382 -3.642 0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.767 -4.517 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.886 -4.045 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.724 -3.226 -0.071 1.00 0.00 H new ATOM 852 N LEU A 54 4.524 -0.213 1.547 1.00 0.00 N ATOM 853 CA LEU A 54 5.700 0.635 1.496 1.00 0.00 C ATOM 854 C LEU A 54 6.963 -0.140 1.834 1.00 0.00 C ATOM 855 O LEU A 54 6.985 -0.947 2.762 1.00 0.00 O ATOM 856 CB LEU A 54 5.534 1.815 2.453 1.00 0.00 C ATOM 857 CG LEU A 54 6.243 3.103 2.042 1.00 0.00 C ATOM 858 CD1 LEU A 54 5.526 3.767 0.873 1.00 0.00 C ATOM 859 CD2 LEU A 54 6.328 4.046 3.230 1.00 0.00 C ATOM 0 H LEU A 54 4.205 -0.447 2.487 1.00 0.00 H new ATOM 0 HA LEU A 54 5.802 1.007 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.470 2.026 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.901 1.517 3.435 1.00 0.00 H new ATOM 0 HG LEU A 54 7.254 2.858 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.049 4.683 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.512 3.087 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.503 4.007 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.835 4.963 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.323 4.284 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.887 3.568 4.034 1.00 0.00 H new ATOM 871 N GLU A 55 8.010 0.113 1.064 1.00 0.00 N ATOM 872 CA GLU A 55 9.291 -0.543 1.272 1.00 0.00 C ATOM 873 C GLU A 55 10.394 0.499 1.367 1.00 0.00 C ATOM 874 O GLU A 55 10.180 1.669 1.057 1.00 0.00 O ATOM 875 CB GLU A 55 9.595 -1.527 0.140 1.00 0.00 C ATOM 876 CG GLU A 55 8.358 -2.127 -0.503 1.00 0.00 C ATOM 877 CD GLU A 55 8.503 -3.612 -0.773 1.00 0.00 C ATOM 878 OE1 GLU A 55 8.988 -3.970 -1.866 1.00 0.00 O ATOM 879 OE2 GLU A 55 8.131 -4.416 0.108 1.00 0.00 O ATOM 0 H GLU A 55 7.997 0.772 0.285 1.00 0.00 H new ATOM 0 HA GLU A 55 9.242 -1.104 2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.179 -1.016 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.217 -2.333 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.499 -1.962 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.153 -1.609 -1.440 1.00 0.00 H new ATOM 886 N GLY A 56 11.569 0.071 1.795 1.00 0.00 N ATOM 887 CA GLY A 56 12.680 0.988 1.933 1.00 0.00 C ATOM 888 C GLY A 56 13.244 0.974 3.336 1.00 0.00 C ATOM 889 O GLY A 56 12.764 0.232 4.191 1.00 0.00 O ATOM 0 H GLY A 56 11.775 -0.895 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.463 0.721 1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.353 1.997 1.682 1.00 0.00 H new ATOM 893 N THR A 57 14.258 1.792 3.581 1.00 0.00 N ATOM 894 CA THR A 57 14.871 1.855 4.898 1.00 0.00 C ATOM 895 C THR A 57 13.844 2.212 5.960 1.00 0.00 C ATOM 896 O THR A 57 13.013 3.097 5.762 1.00 0.00 O ATOM 897 CB THR A 57 16.025 2.868 4.939 1.00 0.00 C ATOM 898 OG1 THR A 57 15.700 4.023 4.156 1.00 0.00 O ATOM 899 CG2 THR A 57 17.302 2.230 4.423 1.00 0.00 C ATOM 0 H THR A 57 14.671 2.417 2.889 1.00 0.00 H new ATOM 0 HA THR A 57 15.274 0.864 5.108 1.00 0.00 H new ATOM 0 HB THR A 57 16.180 3.178 5.973 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.442 4.662 4.191 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.112 2.958 4.457 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.558 1.373 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.154 1.900 3.395 1.00 0.00 H new ATOM 907 N GLU A 58 13.911 1.510 7.085 1.00 0.00 N ATOM 908 CA GLU A 58 12.985 1.728 8.192 1.00 0.00 C ATOM 909 C GLU A 58 12.900 3.204 8.558 1.00 0.00 C ATOM 910 O GLU A 58 11.835 3.701 8.925 1.00 0.00 O ATOM 911 CB GLU A 58 13.420 0.921 9.413 1.00 0.00 C ATOM 912 CG GLU A 58 12.393 0.916 10.533 1.00 0.00 C ATOM 913 CD GLU A 58 12.919 0.274 11.801 1.00 0.00 C ATOM 914 OE1 GLU A 58 12.816 -0.964 11.928 1.00 0.00 O ATOM 915 OE2 GLU A 58 13.436 1.010 12.668 1.00 0.00 O ATOM 0 H GLU A 58 14.602 0.780 7.256 1.00 0.00 H new ATOM 0 HA GLU A 58 11.998 1.395 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.618 -0.106 9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.358 1.327 9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.089 1.941 10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.502 0.382 10.202 1.00 0.00 H new ATOM 922 N GLU A 59 14.029 3.897 8.462 1.00 0.00 N ATOM 923 CA GLU A 59 14.080 5.318 8.782 1.00 0.00 C ATOM 924 C GLU A 59 13.213 6.126 7.829 1.00 0.00 C ATOM 925 O GLU A 59 12.597 7.119 8.216 1.00 0.00 O ATOM 926 CB GLU A 59 15.511 5.821 8.742 1.00 0.00 C ATOM 927 CG GLU A 59 16.214 5.585 7.414 1.00 0.00 C ATOM 928 CD GLU A 59 17.635 6.115 7.409 1.00 0.00 C ATOM 929 OE1 GLU A 59 17.819 7.316 7.123 1.00 0.00 O ATOM 930 OE2 GLU A 59 18.563 5.329 7.692 1.00 0.00 O ATOM 0 H GLU A 59 14.920 3.498 8.166 1.00 0.00 H new ATOM 0 HA GLU A 59 13.689 5.448 9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.516 6.889 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.079 5.332 9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.227 4.517 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.647 6.065 6.616 1.00 0.00 H new ATOM 937 N ALA A 60 13.178 5.687 6.585 1.00 0.00 N ATOM 938 CA ALA A 60 12.388 6.348 5.555 1.00 0.00 C ATOM 939 C ALA A 60 10.911 5.997 5.696 1.00 0.00 C ATOM 940 O ALA A 60 10.044 6.850 5.518 1.00 0.00 O ATOM 941 CB ALA A 60 12.897 5.964 4.174 1.00 0.00 C ATOM 0 H ALA A 60 13.691 4.868 6.258 1.00 0.00 H new ATOM 0 HA ALA A 60 12.494 7.426 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.298 6.465 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.939 6.267 4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.819 4.885 4.045 1.00 0.00 H new ATOM 947 N LEU A 61 10.634 4.735 6.018 1.00 0.00 N ATOM 948 CA LEU A 61 9.261 4.271 6.188 1.00 0.00 C ATOM 949 C LEU A 61 8.573 5.007 7.326 1.00 0.00 C ATOM 950 O LEU A 61 7.417 5.394 7.209 1.00 0.00 O ATOM 951 CB LEU A 61 9.238 2.770 6.455 1.00 0.00 C ATOM 952 CG LEU A 61 10.059 1.930 5.475 1.00 0.00 C ATOM 953 CD1 LEU A 61 9.788 0.450 5.680 1.00 0.00 C ATOM 954 CD2 LEU A 61 9.766 2.323 4.035 1.00 0.00 C ATOM 0 H LEU A 61 11.343 4.017 6.166 1.00 0.00 H new ATOM 0 HA LEU A 61 8.720 4.479 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.608 2.589 7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.204 2.426 6.428 1.00 0.00 H new ATOM 0 HG LEU A 61 11.113 2.124 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.382 -0.130 4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.058 0.168 6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.729 0.248 5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.364 1.709 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.708 2.168 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.016 3.374 3.887 1.00 0.00 H new ATOM 966 N GLU A 62 9.292 5.202 8.423 1.00 0.00 N ATOM 967 CA GLU A 62 8.742 5.890 9.584 1.00 0.00 C ATOM 968 C GLU A 62 8.305 7.306 9.232 1.00 0.00 C ATOM 969 O GLU A 62 7.141 7.667 9.391 1.00 0.00 O ATOM 970 CB GLU A 62 9.789 5.944 10.692 1.00 0.00 C ATOM 971 CG GLU A 62 9.226 6.336 12.047 1.00 0.00 C ATOM 972 CD GLU A 62 10.297 6.446 13.114 1.00 0.00 C ATOM 973 OE1 GLU A 62 10.926 7.520 13.216 1.00 0.00 O ATOM 974 OE2 GLU A 62 10.508 5.457 13.848 1.00 0.00 O ATOM 0 H GLU A 62 10.258 4.894 8.534 1.00 0.00 H new ATOM 0 HA GLU A 62 7.867 5.335 9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.267 4.968 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.565 6.656 10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.707 7.291 11.958 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.485 5.598 12.356 1.00 0.00 H new ATOM 981 N SER A 63 9.256 8.099 8.755 1.00 0.00 N ATOM 982 CA SER A 63 8.994 9.485 8.377 1.00 0.00 C ATOM 983 C SER A 63 7.899 9.583 7.322 1.00 0.00 C ATOM 984 O SER A 63 6.969 10.378 7.451 1.00 0.00 O ATOM 985 CB SER A 63 10.267 10.133 7.841 1.00 0.00 C ATOM 986 OG SER A 63 11.246 10.262 8.857 1.00 0.00 O ATOM 0 H SER A 63 10.223 7.805 8.619 1.00 0.00 H new ATOM 0 HA SER A 63 8.658 10.009 9.271 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.666 9.534 7.023 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.033 11.116 7.432 1.00 0.00 H new ATOM 0 HG SER A 63 12.051 10.679 8.485 1.00 0.00 H new ATOM 992 N LEU A 64 8.021 8.768 6.284 1.00 0.00 N ATOM 993 CA LEU A 64 7.060 8.756 5.191 1.00 0.00 C ATOM 994 C LEU A 64 5.683 8.448 5.739 1.00 0.00 C ATOM 995 O LEU A 64 4.767 9.258 5.661 1.00 0.00 O ATOM 996 CB LEU A 64 7.486 7.696 4.176 1.00 0.00 C ATOM 997 CG LEU A 64 6.895 7.812 2.772 1.00 0.00 C ATOM 998 CD1 LEU A 64 5.413 7.536 2.796 1.00 0.00 C ATOM 999 CD2 LEU A 64 7.152 9.182 2.175 1.00 0.00 C ATOM 0 H LEU A 64 8.784 8.100 6.176 1.00 0.00 H new ATOM 0 HA LEU A 64 7.028 9.729 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.572 7.724 4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.223 6.717 4.576 1.00 0.00 H new ATOM 0 HG LEU A 64 7.388 7.067 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.010 7.623 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.237 6.528 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.919 8.257 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.719 9.231 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.696 9.945 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.226 9.356 2.113 1.00 0.00 H new ATOM 1011 N PHE A 65 5.562 7.255 6.282 1.00 0.00 N ATOM 1012 CA PHE A 65 4.328 6.793 6.891 1.00 0.00 C ATOM 1013 C PHE A 65 3.783 7.838 7.863 1.00 0.00 C ATOM 1014 O PHE A 65 2.570 7.954 8.053 1.00 0.00 O ATOM 1015 CB PHE A 65 4.632 5.478 7.603 1.00 0.00 C ATOM 1016 CG PHE A 65 3.564 4.959 8.516 1.00 0.00 C ATOM 1017 CD1 PHE A 65 2.248 4.864 8.102 1.00 0.00 C ATOM 1018 CD2 PHE A 65 3.892 4.545 9.795 1.00 0.00 C ATOM 1019 CE1 PHE A 65 1.280 4.365 8.952 1.00 0.00 C ATOM 1020 CE2 PHE A 65 2.932 4.046 10.646 1.00 0.00 C ATOM 1021 CZ PHE A 65 1.623 3.955 10.224 1.00 0.00 C ATOM 0 H PHE A 65 6.320 6.573 6.315 1.00 0.00 H new ATOM 0 HA PHE A 65 3.560 6.637 6.133 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.836 4.719 6.848 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.546 5.605 8.183 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.975 5.182 7.107 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.916 4.614 10.130 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.254 4.296 8.621 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.204 3.727 11.641 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.867 3.563 10.888 1.00 0.00 H new ATOM 1031 N SER A 66 4.687 8.602 8.471 1.00 0.00 N ATOM 1032 CA SER A 66 4.289 9.648 9.403 1.00 0.00 C ATOM 1033 C SER A 66 3.723 10.835 8.639 1.00 0.00 C ATOM 1034 O SER A 66 2.848 11.546 9.133 1.00 0.00 O ATOM 1035 CB SER A 66 5.474 10.087 10.265 1.00 0.00 C ATOM 1036 OG SER A 66 5.106 11.136 11.144 1.00 0.00 O ATOM 0 H SER A 66 5.694 8.516 8.335 1.00 0.00 H new ATOM 0 HA SER A 66 3.518 9.250 10.063 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.842 9.238 10.841 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.292 10.416 9.624 1.00 0.00 H new ATOM 0 HG SER A 66 5.881 11.397 11.684 1.00 0.00 H new ATOM 1042 N GLU A 67 4.230 11.044 7.427 1.00 0.00 N ATOM 1043 CA GLU A 67 3.759 12.122 6.582 1.00 0.00 C ATOM 1044 C GLU A 67 2.358 11.787 6.108 1.00 0.00 C ATOM 1045 O GLU A 67 1.526 12.662 5.865 1.00 0.00 O ATOM 1046 CB GLU A 67 4.685 12.273 5.382 1.00 0.00 C ATOM 1047 CG GLU A 67 6.098 12.684 5.749 1.00 0.00 C ATOM 1048 CD GLU A 67 6.338 14.171 5.575 1.00 0.00 C ATOM 1049 OE1 GLU A 67 6.634 14.597 4.439 1.00 0.00 O ATOM 1050 OE2 GLU A 67 6.226 14.911 6.576 1.00 0.00 O ATOM 0 H GLU A 67 4.969 10.476 7.013 1.00 0.00 H new ATOM 0 HA GLU A 67 3.749 13.058 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.720 11.328 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.266 13.014 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.295 12.407 6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.805 12.131 5.131 1.00 0.00 H new ATOM 1057 N ILE A 68 2.128 10.490 5.984 1.00 0.00 N ATOM 1058 CA ILE A 68 0.862 9.950 5.546 1.00 0.00 C ATOM 1059 C ILE A 68 -0.253 10.266 6.534 1.00 0.00 C ATOM 1060 O ILE A 68 -1.270 10.840 6.159 1.00 0.00 O ATOM 1061 CB ILE A 68 1.016 8.430 5.338 1.00 0.00 C ATOM 1062 CG1 ILE A 68 1.552 8.162 3.937 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -0.283 7.667 5.564 1.00 0.00 C ATOM 1064 CD1 ILE A 68 2.619 9.130 3.497 1.00 0.00 C ATOM 0 H ILE A 68 2.828 9.777 6.189 1.00 0.00 H new ATOM 0 HA ILE A 68 0.580 10.417 4.602 1.00 0.00 H new ATOM 0 HB ILE A 68 1.722 8.067 6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.956 7.150 3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.725 8.201 3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.112 6.603 5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.627 7.829 6.585 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.040 8.023 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.950 8.874 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.215 10.142 3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.465 9.075 4.182 1.00 0.00 H new ATOM 1076 N GLN A 69 -0.058 9.916 7.801 1.00 0.00 N ATOM 1077 CA GLN A 69 -1.086 10.170 8.805 1.00 0.00 C ATOM 1078 C GLN A 69 -1.328 11.667 8.976 1.00 0.00 C ATOM 1079 O GLN A 69 -2.287 12.080 9.629 1.00 0.00 O ATOM 1080 CB GLN A 69 -0.706 9.540 10.142 1.00 0.00 C ATOM 1081 CG GLN A 69 -0.265 8.090 10.036 1.00 0.00 C ATOM 1082 CD GLN A 69 0.172 7.527 11.375 1.00 0.00 C ATOM 1083 OE1 GLN A 69 -0.378 7.877 12.419 1.00 0.00 O ATOM 1084 NE2 GLN A 69 1.176 6.660 11.353 1.00 0.00 N ATOM 0 H GLN A 69 0.786 9.464 8.153 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.011 9.711 8.456 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.098 10.122 10.591 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.560 9.602 10.817 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.085 7.490 9.641 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.558 8.013 9.325 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.604 6.397 10.465 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.520 6.256 12.224 1.00 0.00 H new ATOM 1093 N SER A 70 -0.453 12.475 8.387 1.00 0.00 N ATOM 1094 CA SER A 70 -0.577 13.925 8.463 1.00 0.00 C ATOM 1095 C SER A 70 -1.260 14.474 7.213 1.00 0.00 C ATOM 1096 O SER A 70 -1.261 15.681 6.971 1.00 0.00 O ATOM 1097 CB SER A 70 0.801 14.567 8.630 1.00 0.00 C ATOM 1098 OG SER A 70 1.443 14.096 9.802 1.00 0.00 O ATOM 0 H SER A 70 0.351 12.149 7.851 1.00 0.00 H new ATOM 0 HA SER A 70 -1.190 14.170 9.330 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.418 14.344 7.759 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.697 15.651 8.679 1.00 0.00 H new ATOM 0 HG SER A 70 1.910 13.257 9.605 1.00 0.00 H new ATOM 1104 N ASP A 71 -1.841 13.574 6.422 1.00 0.00 N ATOM 1105 CA ASP A 71 -2.527 13.959 5.194 1.00 0.00 C ATOM 1106 C ASP A 71 -4.010 14.218 5.458 1.00 0.00 C ATOM 1107 O ASP A 71 -4.602 13.611 6.351 1.00 0.00 O ATOM 1108 CB ASP A 71 -2.364 12.867 4.136 1.00 0.00 C ATOM 1109 CG ASP A 71 -1.591 13.347 2.925 1.00 0.00 C ATOM 1110 OD1 ASP A 71 -0.347 13.252 2.939 1.00 0.00 O ATOM 1111 OD2 ASP A 71 -2.230 13.823 1.962 1.00 0.00 O ATOM 0 H ASP A 71 -1.849 12.572 6.612 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.078 14.882 4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.850 12.012 4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.348 12.520 3.821 1.00 0.00 H new ATOM 1116 N PRO A 72 -4.632 15.128 4.684 1.00 0.00 N ATOM 1117 CA PRO A 72 -6.040 15.475 4.843 1.00 0.00 C ATOM 1118 C PRO A 72 -6.981 14.613 4.004 1.00 0.00 C ATOM 1119 O PRO A 72 -8.199 14.783 4.064 1.00 0.00 O ATOM 1120 CB PRO A 72 -6.070 16.916 4.350 1.00 0.00 C ATOM 1121 CG PRO A 72 -5.040 16.964 3.268 1.00 0.00 C ATOM 1122 CD PRO A 72 -4.008 15.907 3.597 1.00 0.00 C ATOM 0 HA PRO A 72 -6.383 15.325 5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.056 17.185 3.971 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.835 17.615 5.153 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.493 16.772 2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.580 17.951 3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.788 15.281 2.732 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.066 16.354 3.915 1.00 0.00 H new ATOM 1130 N ARG A 73 -6.425 13.688 3.223 1.00 0.00 N ATOM 1131 CA ARG A 73 -7.246 12.825 2.380 1.00 0.00 C ATOM 1132 C ARG A 73 -7.827 11.671 3.188 1.00 0.00 C ATOM 1133 O ARG A 73 -8.971 11.736 3.635 1.00 0.00 O ATOM 1134 CB ARG A 73 -6.445 12.296 1.190 1.00 0.00 C ATOM 1135 CG ARG A 73 -7.255 11.388 0.280 1.00 0.00 C ATOM 1136 CD ARG A 73 -6.849 11.547 -1.173 1.00 0.00 C ATOM 1137 NE ARG A 73 -6.795 12.952 -1.573 1.00 0.00 N ATOM 1138 CZ ARG A 73 -7.640 13.509 -2.435 1.00 0.00 C ATOM 1139 NH1 ARG A 73 -8.615 12.791 -2.974 1.00 0.00 N ATOM 1140 NH2 ARG A 73 -7.512 14.790 -2.754 1.00 0.00 N ATOM 0 H ARG A 73 -5.421 13.519 3.157 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.071 13.424 1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.069 13.139 0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.577 11.750 1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.118 10.351 0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.315 11.615 0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.873 11.087 -1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.558 11.016 -1.808 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.066 13.539 -1.167 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.719 11.807 -2.728 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.261 13.223 -3.635 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.766 15.347 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.160 15.218 -3.415 1.00 0.00 H new ATOM 1154 N HIS A 74 -7.043 10.612 3.374 1.00 0.00 N ATOM 1155 CA HIS A 74 -7.499 9.467 4.150 1.00 0.00 C ATOM 1156 C HIS A 74 -7.659 9.873 5.614 1.00 0.00 C ATOM 1157 O HIS A 74 -7.817 11.057 5.915 1.00 0.00 O ATOM 1158 CB HIS A 74 -6.524 8.300 4.012 1.00 0.00 C ATOM 1159 CG HIS A 74 -5.102 8.659 4.294 1.00 0.00 C ATOM 1160 ND1 HIS A 74 -4.057 8.255 3.494 1.00 0.00 N ATOM 1161 CD2 HIS A 74 -4.550 9.369 5.302 1.00 0.00 C ATOM 1162 CE1 HIS A 74 -2.924 8.698 4.001 1.00 0.00 C ATOM 1163 NE2 HIS A 74 -3.194 9.377 5.100 1.00 0.00 N ATOM 0 H HIS A 74 -6.098 10.525 3.001 1.00 0.00 H new ATOM 0 HA HIS A 74 -8.465 9.139 3.768 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.828 7.504 4.691 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.593 7.900 3.000 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.079 9.842 6.116 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.940 8.533 3.587 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.507 9.833 5.700 1.00 0.00 H new ATOM 1172 N ARG A 75 -7.613 8.910 6.532 1.00 0.00 N ATOM 1173 CA ARG A 75 -7.768 9.241 7.944 1.00 0.00 C ATOM 1174 C ARG A 75 -7.263 8.144 8.881 1.00 0.00 C ATOM 1175 O ARG A 75 -6.350 8.366 9.677 1.00 0.00 O ATOM 1176 CB ARG A 75 -9.240 9.528 8.243 1.00 0.00 C ATOM 1177 CG ARG A 75 -10.188 8.471 7.713 1.00 0.00 C ATOM 1178 CD ARG A 75 -11.577 9.036 7.483 1.00 0.00 C ATOM 1179 NE ARG A 75 -12.598 8.301 8.225 1.00 0.00 N ATOM 1180 CZ ARG A 75 -13.858 8.709 8.348 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -14.254 9.833 7.765 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -14.723 7.993 9.053 1.00 0.00 N ATOM 0 H ARG A 75 -7.473 7.920 6.331 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.155 10.123 8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.372 9.614 9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.508 10.492 7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.799 8.067 6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.243 7.643 8.420 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.596 10.084 7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.809 9.004 6.419 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.330 7.425 8.674 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.592 10.386 7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.221 10.144 7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.423 7.128 9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.689 8.307 9.146 1.00 0.00 H new ATOM 1196 N ASP A 76 -7.863 6.967 8.783 1.00 0.00 N ATOM 1197 CA ASP A 76 -7.521 5.849 9.661 1.00 0.00 C ATOM 1198 C ASP A 76 -6.267 5.103 9.245 1.00 0.00 C ATOM 1199 O ASP A 76 -6.212 3.877 9.348 1.00 0.00 O ATOM 1200 CB ASP A 76 -8.689 4.877 9.726 1.00 0.00 C ATOM 1201 CG ASP A 76 -8.607 3.936 10.912 1.00 0.00 C ATOM 1202 OD1 ASP A 76 -8.930 4.370 12.037 1.00 0.00 O ATOM 1203 OD2 ASP A 76 -8.218 2.766 10.715 1.00 0.00 O ATOM 0 H ASP A 76 -8.593 6.757 8.102 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.315 6.280 10.641 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.621 5.440 9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.721 4.293 8.806 1.00 0.00 H new ATOM 1208 N VAL A 77 -5.260 5.822 8.787 1.00 0.00 N ATOM 1209 CA VAL A 77 -4.014 5.174 8.411 1.00 0.00 C ATOM 1210 C VAL A 77 -3.419 4.526 9.637 1.00 0.00 C ATOM 1211 O VAL A 77 -3.070 5.190 10.614 1.00 0.00 O ATOM 1212 CB VAL A 77 -3.014 6.143 7.759 1.00 0.00 C ATOM 1213 CG1 VAL A 77 -3.201 7.526 8.308 1.00 0.00 C ATOM 1214 CG2 VAL A 77 -1.589 5.673 7.933 1.00 0.00 C ATOM 0 H VAL A 77 -5.276 6.835 8.667 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.233 4.419 7.656 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.213 6.166 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.487 8.203 7.839 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.215 7.866 8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.036 7.515 9.385 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.911 6.383 7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.356 5.603 8.996 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.470 4.693 7.470 1.00 0.00 H new ATOM 1224 N VAL A 78 -3.312 3.221 9.568 1.00 0.00 N ATOM 1225 CA VAL A 78 -2.820 2.435 10.670 1.00 0.00 C ATOM 1226 C VAL A 78 -1.716 1.481 10.224 1.00 0.00 C ATOM 1227 O VAL A 78 -1.848 0.786 9.219 1.00 0.00 O ATOM 1228 CB VAL A 78 -3.997 1.664 11.293 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -4.693 0.793 10.257 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -3.545 0.848 12.494 1.00 0.00 C ATOM 0 H VAL A 78 -3.564 2.675 8.744 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.382 3.099 11.416 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.724 2.394 11.648 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.520 0.260 10.726 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.075 1.420 9.452 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.982 0.074 9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.398 0.314 12.913 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.786 0.131 12.182 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.127 1.513 13.249 1.00 0.00 H new ATOM 1240 N GLU A 79 -0.620 1.464 10.978 1.00 0.00 N ATOM 1241 CA GLU A 79 0.519 0.613 10.653 1.00 0.00 C ATOM 1242 C GLU A 79 0.144 -0.861 10.704 1.00 0.00 C ATOM 1243 O GLU A 79 -0.147 -1.413 11.765 1.00 0.00 O ATOM 1244 CB GLU A 79 1.681 0.888 11.605 1.00 0.00 C ATOM 1245 CG GLU A 79 3.021 0.369 11.104 1.00 0.00 C ATOM 1246 CD GLU A 79 4.116 0.493 12.144 1.00 0.00 C ATOM 1247 OE1 GLU A 79 4.702 1.589 12.260 1.00 0.00 O ATOM 1248 OE2 GLU A 79 4.388 -0.506 12.842 1.00 0.00 O ATOM 0 H GLU A 79 -0.497 2.030 11.818 1.00 0.00 H new ATOM 0 HA GLU A 79 0.827 0.850 9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.757 1.963 11.770 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.463 0.432 12.571 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.917 -0.676 10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.310 0.921 10.209 1.00 0.00 H new ATOM 1255 N LEU A 80 0.158 -1.480 9.536 1.00 0.00 N ATOM 1256 CA LEU A 80 -0.167 -2.892 9.388 1.00 0.00 C ATOM 1257 C LEU A 80 1.084 -3.754 9.467 1.00 0.00 C ATOM 1258 O LEU A 80 1.077 -4.832 10.061 1.00 0.00 O ATOM 1259 CB LEU A 80 -0.820 -3.121 8.025 1.00 0.00 C ATOM 1260 CG LEU A 80 -2.343 -3.168 8.001 1.00 0.00 C ATOM 1261 CD1 LEU A 80 -2.932 -1.905 8.607 1.00 0.00 C ATOM 1262 CD2 LEU A 80 -2.817 -3.339 6.568 1.00 0.00 C ATOM 0 H LEU A 80 0.396 -1.017 8.659 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.844 -3.169 10.196 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.492 -2.329 7.352 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.443 -4.060 7.619 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.682 -4.015 8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.020 -1.961 8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.600 -1.808 9.641 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.599 -1.038 8.037 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.906 -3.373 6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.468 -2.499 5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.417 -4.268 6.161 1.00 0.00 H new ATOM 1274 N MET A 81 2.156 -3.263 8.859 1.00 0.00 N ATOM 1275 CA MET A 81 3.404 -3.995 8.802 1.00 0.00 C ATOM 1276 C MET A 81 4.621 -3.103 8.903 1.00 0.00 C ATOM 1277 O MET A 81 4.538 -1.877 8.822 1.00 0.00 O ATOM 1278 CB MET A 81 3.475 -4.741 7.482 1.00 0.00 C ATOM 1279 CG MET A 81 3.980 -6.150 7.609 1.00 0.00 C ATOM 1280 SD MET A 81 4.183 -6.948 6.009 1.00 0.00 S ATOM 1281 CE MET A 81 5.427 -5.907 5.256 1.00 0.00 C ATOM 0 H MET A 81 2.181 -2.354 8.397 1.00 0.00 H new ATOM 0 HA MET A 81 3.416 -4.671 9.657 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.482 -4.760 7.032 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.124 -4.192 6.800 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.935 -6.146 8.134 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.285 -6.730 8.216 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.669 -6.289 4.264 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.046 -4.889 5.170 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.325 -5.908 5.874 1.00 0.00 H new ATOM 1291 N ARG A 82 5.749 -3.774 9.061 1.00 0.00 N ATOM 1292 CA ARG A 82 7.050 -3.149 9.152 1.00 0.00 C ATOM 1293 C ARG A 82 8.079 -4.200 9.506 1.00 0.00 C ATOM 1294 O ARG A 82 8.359 -4.462 10.676 1.00 0.00 O ATOM 1295 CB ARG A 82 7.075 -2.024 10.163 1.00 0.00 C ATOM 1296 CG ARG A 82 8.255 -1.096 9.982 1.00 0.00 C ATOM 1297 CD ARG A 82 7.926 0.319 10.430 1.00 0.00 C ATOM 1298 NE ARG A 82 7.340 0.352 11.764 1.00 0.00 N ATOM 1299 CZ ARG A 82 8.053 0.333 12.887 1.00 0.00 C ATOM 1300 NH1 ARG A 82 9.376 0.270 12.835 1.00 0.00 N ATOM 1301 NH2 ARG A 82 7.442 0.375 14.062 1.00 0.00 N ATOM 0 H ARG A 82 5.783 -4.791 9.131 1.00 0.00 H new ATOM 0 HA ARG A 82 7.284 -2.707 8.184 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.152 -1.450 10.083 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.102 -2.446 11.168 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.105 -1.471 10.553 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.554 -1.086 8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.834 0.922 10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.234 0.771 9.720 1.00 0.00 H new ATOM 0 HE ARG A 82 6.324 0.392 11.841 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.850 0.236 11.932 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.920 0.256 13.698 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.424 0.422 14.106 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.990 0.360 14.922 1.00 0.00 H new ATOM 1315 N ASP A 83 8.628 -4.791 8.471 1.00 0.00 N ATOM 1316 CA ASP A 83 9.606 -5.862 8.619 1.00 0.00 C ATOM 1317 C ASP A 83 10.861 -5.602 7.800 1.00 0.00 C ATOM 1318 O ASP A 83 10.811 -4.988 6.740 1.00 0.00 O ATOM 1319 CB ASP A 83 8.985 -7.185 8.180 1.00 0.00 C ATOM 1320 CG ASP A 83 9.832 -8.382 8.568 1.00 0.00 C ATOM 1321 OD1 ASP A 83 9.660 -8.890 9.696 1.00 0.00 O ATOM 1322 OD2 ASP A 83 10.667 -8.812 7.744 1.00 0.00 O ATOM 0 H ASP A 83 8.416 -4.550 7.503 1.00 0.00 H new ATOM 0 HA ASP A 83 9.892 -5.906 9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.996 -7.284 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.847 -7.177 7.099 1.00 0.00 H new ATOM 1327 N TYR A 84 11.986 -6.092 8.301 1.00 0.00 N ATOM 1328 CA TYR A 84 13.259 -5.931 7.619 1.00 0.00 C ATOM 1329 C TYR A 84 13.239 -6.606 6.252 1.00 0.00 C ATOM 1330 O TYR A 84 12.394 -7.458 5.981 1.00 0.00 O ATOM 1331 CB TYR A 84 14.381 -6.511 8.473 1.00 0.00 C ATOM 1332 CG TYR A 84 14.741 -5.614 9.621 1.00 0.00 C ATOM 1333 CD1 TYR A 84 15.147 -4.318 9.380 1.00 0.00 C ATOM 1334 CD2 TYR A 84 14.651 -6.046 10.936 1.00 0.00 C ATOM 1335 CE1 TYR A 84 15.461 -3.468 10.409 1.00 0.00 C ATOM 1336 CE2 TYR A 84 14.968 -5.201 11.983 1.00 0.00 C ATOM 1337 CZ TYR A 84 15.373 -3.909 11.713 1.00 0.00 C ATOM 1338 OH TYR A 84 15.687 -3.057 12.749 1.00 0.00 O ATOM 0 H TYR A 84 12.041 -6.606 9.180 1.00 0.00 H new ATOM 0 HA TYR A 84 13.434 -4.866 7.467 1.00 0.00 H new ATOM 0 HB2 TYR A 84 14.077 -7.485 8.857 1.00 0.00 H new ATOM 0 HB3 TYR A 84 15.261 -6.674 7.851 1.00 0.00 H new ATOM 0 HD1 TYR A 84 15.219 -3.966 8.361 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.329 -7.056 11.145 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.776 -2.457 10.199 1.00 0.00 H new ATOM 0 HE2 TYR A 84 14.899 -5.548 13.003 1.00 0.00 H new ATOM 0 HH TYR A 84 15.571 -3.524 13.603 1.00 0.00 H new ATOM 1348 N SER A 85 14.179 -6.219 5.398 1.00 0.00 N ATOM 1349 CA SER A 85 14.274 -6.784 4.060 1.00 0.00 C ATOM 1350 C SER A 85 15.694 -6.684 3.531 1.00 0.00 C ATOM 1351 O SER A 85 16.514 -5.927 4.051 1.00 0.00 O ATOM 1352 CB SER A 85 13.308 -6.077 3.109 1.00 0.00 C ATOM 1353 OG SER A 85 11.969 -6.213 3.548 1.00 0.00 O ATOM 0 H SER A 85 14.886 -5.515 5.610 1.00 0.00 H new ATOM 0 HA SER A 85 14.000 -7.837 4.119 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.567 -5.020 3.043 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.409 -6.494 2.107 1.00 0.00 H new ATOM 0 HG SER A 85 11.943 -6.776 4.349 1.00 0.00 H new ATOM 1359 N ALA A 86 15.972 -7.455 2.490 1.00 0.00 N ATOM 1360 CA ALA A 86 17.292 -7.477 1.887 1.00 0.00 C ATOM 1361 C ALA A 86 17.223 -7.164 0.399 1.00 0.00 C ATOM 1362 O ALA A 86 18.241 -7.159 -0.294 1.00 0.00 O ATOM 1363 CB ALA A 86 17.925 -8.835 2.113 1.00 0.00 C ATOM 0 H ALA A 86 15.296 -8.076 2.045 1.00 0.00 H new ATOM 0 HA ALA A 86 17.904 -6.707 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 86 18.917 -8.854 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 86 18.010 -9.023 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 86 17.304 -9.606 1.658 1.00 0.00 H new ATOM 1369 N TYR A 87 16.014 -6.898 -0.084 1.00 0.00 N ATOM 1370 CA TYR A 87 15.807 -6.597 -1.494 1.00 0.00 C ATOM 1371 C TYR A 87 14.492 -5.855 -1.717 1.00 0.00 C ATOM 1372 O TYR A 87 13.644 -5.786 -0.828 1.00 0.00 O ATOM 1373 CB TYR A 87 15.823 -7.891 -2.312 1.00 0.00 C ATOM 1374 CG TYR A 87 14.949 -8.983 -1.736 1.00 0.00 C ATOM 1375 CD1 TYR A 87 15.339 -9.687 -0.602 1.00 0.00 C ATOM 1376 CD2 TYR A 87 13.736 -9.313 -2.327 1.00 0.00 C ATOM 1377 CE1 TYR A 87 14.544 -10.687 -0.074 1.00 0.00 C ATOM 1378 CE2 TYR A 87 12.936 -10.312 -1.805 1.00 0.00 C ATOM 1379 CZ TYR A 87 13.344 -10.995 -0.678 1.00 0.00 C ATOM 1380 OH TYR A 87 12.551 -11.989 -0.157 1.00 0.00 O ATOM 0 H TYR A 87 15.164 -6.885 0.480 1.00 0.00 H new ATOM 0 HA TYR A 87 16.619 -5.949 -1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.495 -7.673 -3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.848 -8.255 -2.380 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.279 -9.449 -0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.413 -8.780 -3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.862 -11.224 0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 87 11.996 -10.557 -2.277 1.00 0.00 H new ATOM 0 HH TYR A 87 11.740 -12.079 -0.700 1.00 0.00 H new ATOM 1390 N ARG A 88 14.336 -5.304 -2.916 1.00 0.00 N ATOM 1391 CA ARG A 88 13.131 -4.564 -3.280 1.00 0.00 C ATOM 1392 C ARG A 88 12.212 -5.425 -4.145 1.00 0.00 C ATOM 1393 O ARG A 88 12.658 -6.048 -5.109 1.00 0.00 O ATOM 1394 CB ARG A 88 13.514 -3.286 -4.027 1.00 0.00 C ATOM 1395 CG ARG A 88 13.799 -2.104 -3.120 1.00 0.00 C ATOM 1396 CD ARG A 88 14.323 -0.913 -3.905 1.00 0.00 C ATOM 1397 NE ARG A 88 14.794 0.156 -3.026 1.00 0.00 N ATOM 1398 CZ ARG A 88 15.950 0.792 -3.194 1.00 0.00 C ATOM 1399 NH1 ARG A 88 16.746 0.477 -4.207 1.00 0.00 N ATOM 1400 NH2 ARG A 88 16.312 1.746 -2.346 1.00 0.00 N ATOM 0 H ARG A 88 15.034 -5.356 -3.658 1.00 0.00 H new ATOM 0 HA ARG A 88 12.595 -4.299 -2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.396 -3.484 -4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.707 -3.021 -4.710 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.888 -1.821 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.529 -2.392 -2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.138 -1.236 -4.553 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.534 -0.530 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 88 14.203 0.429 -2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 88 16.473 -0.256 -4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.631 0.968 -4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.704 1.992 -1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.199 2.234 -2.475 1.00 0.00 H new ATOM 1414 N ARG A 89 10.928 -5.453 -3.795 1.00 0.00 N ATOM 1415 CA ARG A 89 9.947 -6.246 -4.534 1.00 0.00 C ATOM 1416 C ARG A 89 9.327 -5.457 -5.684 1.00 0.00 C ATOM 1417 O ARG A 89 8.974 -6.029 -6.716 1.00 0.00 O ATOM 1418 CB ARG A 89 8.841 -6.731 -3.593 1.00 0.00 C ATOM 1419 CG ARG A 89 9.134 -8.073 -2.939 1.00 0.00 C ATOM 1420 CD ARG A 89 10.308 -7.993 -1.976 1.00 0.00 C ATOM 1421 NE ARG A 89 9.955 -7.293 -0.745 1.00 0.00 N ATOM 1422 CZ ARG A 89 10.289 -7.722 0.469 1.00 0.00 C ATOM 1423 NH1 ARG A 89 10.989 -8.838 0.614 1.00 0.00 N ATOM 1424 NH2 ARG A 89 9.922 -7.032 1.539 1.00 0.00 N ATOM 0 H ARG A 89 10.542 -4.936 -3.005 1.00 0.00 H new ATOM 0 HA ARG A 89 10.474 -7.101 -4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.686 -5.984 -2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.908 -6.806 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.249 -8.416 -2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.347 -8.813 -3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.650 -9.000 -1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.140 -7.481 -2.459 1.00 0.00 H new ATOM 0 HE ARG A 89 9.422 -6.426 -0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.274 -9.372 -0.207 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.243 -9.163 1.547 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.384 -6.172 1.432 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.178 -7.361 2.470 1.00 0.00 H new ATOM 1438 N PHE A 90 9.193 -4.148 -5.505 1.00 0.00 N ATOM 1439 CA PHE A 90 8.599 -3.297 -6.532 1.00 0.00 C ATOM 1440 C PHE A 90 9.646 -2.412 -7.198 1.00 0.00 C ATOM 1441 O PHE A 90 9.400 -1.232 -7.454 1.00 0.00 O ATOM 1442 CB PHE A 90 7.491 -2.433 -5.924 1.00 0.00 C ATOM 1443 CG PHE A 90 6.380 -3.238 -5.314 1.00 0.00 C ATOM 1444 CD1 PHE A 90 6.459 -3.666 -3.999 1.00 0.00 C ATOM 1445 CD2 PHE A 90 5.260 -3.570 -6.058 1.00 0.00 C ATOM 1446 CE1 PHE A 90 5.440 -4.411 -3.436 1.00 0.00 C ATOM 1447 CE2 PHE A 90 4.238 -4.315 -5.501 1.00 0.00 C ATOM 1448 CZ PHE A 90 4.328 -4.737 -4.189 1.00 0.00 C ATOM 0 H PHE A 90 9.486 -3.653 -4.662 1.00 0.00 H new ATOM 0 HA PHE A 90 8.172 -3.945 -7.297 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.922 -1.785 -5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.079 -1.785 -6.697 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.327 -3.415 -3.407 1.00 0.00 H new ATOM 0 HD2 PHE A 90 5.185 -3.243 -7.085 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.513 -4.738 -2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.369 -4.567 -6.091 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.531 -5.321 -3.752 1.00 0.00 H new ATOM 1458 N HIS A 91 10.808 -2.987 -7.487 1.00 0.00 N ATOM 1459 CA HIS A 91 11.887 -2.244 -8.128 1.00 0.00 C ATOM 1460 C HIS A 91 11.405 -1.609 -9.429 1.00 0.00 C ATOM 1461 O HIS A 91 10.729 -2.253 -10.230 1.00 0.00 O ATOM 1462 CB HIS A 91 13.079 -3.162 -8.407 1.00 0.00 C ATOM 1463 CG HIS A 91 12.766 -4.288 -9.337 1.00 0.00 C ATOM 1464 ND1 HIS A 91 12.097 -5.429 -8.949 1.00 0.00 N ATOM 1465 CD2 HIS A 91 13.036 -4.440 -10.650 1.00 0.00 C ATOM 1466 CE1 HIS A 91 11.970 -6.236 -9.988 1.00 0.00 C ATOM 1467 NE2 HIS A 91 12.532 -5.658 -11.033 1.00 0.00 N ATOM 0 H HIS A 91 11.027 -3.963 -7.288 1.00 0.00 H new ATOM 0 HA HIS A 91 12.203 -1.453 -7.448 1.00 0.00 H new ATOM 0 HB2 HIS A 91 13.891 -2.570 -8.828 1.00 0.00 H new ATOM 0 HB3 HIS A 91 13.439 -3.572 -7.463 1.00 0.00 H new ATOM 0 HD2 HIS A 91 13.553 -3.734 -11.283 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.489 -7.203 -9.983 1.00 0.00 H new ATOM 0 HE2 HIS A 91 12.583 -6.052 -11.972 1.00 0.00 H new ATOM 1476 N GLY A 92 11.753 -0.342 -9.628 1.00 0.00 N ATOM 1477 CA GLY A 92 11.345 0.355 -10.833 1.00 0.00 C ATOM 1478 C GLY A 92 10.053 1.128 -10.646 1.00 0.00 C ATOM 1479 O GLY A 92 9.697 1.963 -11.478 1.00 0.00 O ATOM 0 H GLY A 92 12.309 0.213 -8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.135 1.042 -11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.220 -0.365 -11.641 1.00 0.00 H new ATOM 1483 N THR A 93 9.351 0.849 -9.552 1.00 0.00 N ATOM 1484 CA THR A 93 8.093 1.524 -9.255 1.00 0.00 C ATOM 1485 C THR A 93 8.056 1.988 -7.803 1.00 0.00 C ATOM 1486 O THR A 93 7.654 1.239 -6.912 1.00 0.00 O ATOM 1487 CB THR A 93 6.882 0.607 -9.521 1.00 0.00 C ATOM 1488 OG1 THR A 93 7.002 0.001 -10.814 1.00 0.00 O ATOM 1489 CG2 THR A 93 5.580 1.394 -9.446 1.00 0.00 C ATOM 0 H THR A 93 9.633 0.159 -8.856 1.00 0.00 H new ATOM 0 HA THR A 93 8.032 2.388 -9.916 1.00 0.00 H new ATOM 0 HB THR A 93 6.866 -0.168 -8.755 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.230 -0.581 -10.975 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.740 0.726 -9.637 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.477 1.833 -8.454 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.591 2.187 -10.194 1.00 0.00 H new ATOM 1497 N GLY A 94 8.481 3.228 -7.573 1.00 0.00 N ATOM 1498 CA GLY A 94 8.493 3.775 -6.228 1.00 0.00 C ATOM 1499 C GLY A 94 7.132 3.704 -5.557 1.00 0.00 C ATOM 1500 O GLY A 94 7.038 3.501 -4.347 1.00 0.00 O ATOM 0 H GLY A 94 8.818 3.864 -8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.220 3.231 -5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.822 4.813 -6.265 1.00 0.00 H new ATOM 1504 N MET A 95 6.077 3.872 -6.351 1.00 0.00 N ATOM 1505 CA MET A 95 4.710 3.825 -5.840 1.00 0.00 C ATOM 1506 C MET A 95 3.714 3.729 -6.991 1.00 0.00 C ATOM 1507 O MET A 95 3.892 4.369 -8.029 1.00 0.00 O ATOM 1508 CB MET A 95 4.413 5.064 -4.993 1.00 0.00 C ATOM 1509 CG MET A 95 3.001 5.091 -4.434 1.00 0.00 C ATOM 1510 SD MET A 95 2.613 3.636 -3.440 1.00 0.00 S ATOM 1511 CE MET A 95 3.743 3.846 -2.066 1.00 0.00 C ATOM 0 H MET A 95 6.144 4.042 -7.354 1.00 0.00 H new ATOM 0 HA MET A 95 4.609 2.939 -5.213 1.00 0.00 H new ATOM 0 HB2 MET A 95 5.123 5.109 -4.167 1.00 0.00 H new ATOM 0 HB3 MET A 95 4.572 5.956 -5.599 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.874 5.986 -3.825 1.00 0.00 H new ATOM 0 HG3 MET A 95 2.291 5.162 -5.258 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.547 3.082 -1.314 1.00 0.00 H new ATOM 0 HE2 MET A 95 4.769 3.752 -2.421 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.601 4.833 -1.626 1.00 0.00 H new ATOM 1521 N ARG A 96 2.667 2.929 -6.807 1.00 0.00 N ATOM 1522 CA ARG A 96 1.658 2.752 -7.847 1.00 0.00 C ATOM 1523 C ARG A 96 0.311 2.367 -7.244 1.00 0.00 C ATOM 1524 O ARG A 96 0.109 1.224 -6.857 1.00 0.00 O ATOM 1525 CB ARG A 96 2.119 1.672 -8.819 1.00 0.00 C ATOM 1526 CG ARG A 96 1.703 1.919 -10.258 1.00 0.00 C ATOM 1527 CD ARG A 96 0.254 1.528 -10.493 1.00 0.00 C ATOM 1528 NE ARG A 96 -0.205 1.907 -11.827 1.00 0.00 N ATOM 1529 CZ ARG A 96 -1.412 1.617 -12.303 1.00 0.00 C ATOM 1530 NH1 ARG A 96 -2.281 0.947 -11.557 1.00 0.00 N ATOM 1531 NH2 ARG A 96 -1.752 1.996 -13.527 1.00 0.00 N ATOM 0 H ARG A 96 2.496 2.397 -5.954 1.00 0.00 H new ATOM 0 HA ARG A 96 1.534 3.697 -8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.205 1.596 -8.773 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.719 0.711 -8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.841 2.972 -10.502 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.348 1.350 -10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.143 0.451 -10.364 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.377 2.006 -9.743 1.00 0.00 H new ATOM 0 HE ARG A 96 0.437 2.424 -12.428 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.024 0.653 -10.615 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.206 0.726 -11.926 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.087 2.511 -14.105 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.678 1.773 -13.891 1.00 0.00 H new ATOM 1545 N ILE A 97 -0.619 3.317 -7.195 1.00 0.00 N ATOM 1546 CA ILE A 97 -1.940 3.069 -6.640 1.00 0.00 C ATOM 1547 C ILE A 97 -2.706 2.029 -7.453 1.00 0.00 C ATOM 1548 O ILE A 97 -2.378 1.755 -8.607 1.00 0.00 O ATOM 1549 CB ILE A 97 -2.750 4.380 -6.574 1.00 0.00 C ATOM 1550 CG1 ILE A 97 -3.834 4.299 -5.492 1.00 0.00 C ATOM 1551 CG2 ILE A 97 -3.349 4.709 -7.929 1.00 0.00 C ATOM 1552 CD1 ILE A 97 -5.203 3.875 -5.987 1.00 0.00 C ATOM 0 H ILE A 97 -0.478 4.268 -7.535 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.803 2.677 -5.632 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.071 5.188 -6.303 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.508 3.597 -4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.923 5.275 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.916 5.637 -7.860 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.550 4.825 -8.661 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.011 3.901 -8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.900 3.847 -5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.558 4.588 -6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.137 2.884 -6.437 1.00 0.00 H new ATOM 1564 N LEU A 98 -3.727 1.456 -6.832 1.00 0.00 N ATOM 1565 CA LEU A 98 -4.560 0.460 -7.474 1.00 0.00 C ATOM 1566 C LEU A 98 -6.034 0.705 -7.184 1.00 0.00 C ATOM 1567 O LEU A 98 -6.556 0.254 -6.166 1.00 0.00 O ATOM 1568 CB LEU A 98 -4.189 -0.951 -7.019 1.00 0.00 C ATOM 1569 CG LEU A 98 -4.518 -2.017 -8.048 1.00 0.00 C ATOM 1570 CD1 LEU A 98 -3.641 -1.818 -9.266 1.00 0.00 C ATOM 1571 CD2 LEU A 98 -4.364 -3.414 -7.476 1.00 0.00 C ATOM 0 H LEU A 98 -3.997 1.670 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.387 0.546 -8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.122 -0.986 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.714 -1.176 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.563 -1.916 -8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.872 -2.581 -10.009 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.825 -0.831 -9.690 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.593 -1.899 -8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.608 -4.150 -8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.335 -3.561 -7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.038 -3.536 -6.628 1.00 0.00 H new ATOM 1583 N ASP A 99 -6.694 1.434 -8.073 1.00 0.00 N ATOM 1584 CA ASP A 99 -8.117 1.708 -7.921 1.00 0.00 C ATOM 1585 C ASP A 99 -8.894 0.408 -7.998 1.00 0.00 C ATOM 1586 O ASP A 99 -9.326 0.001 -9.075 1.00 0.00 O ATOM 1587 CB ASP A 99 -8.615 2.652 -9.014 1.00 0.00 C ATOM 1588 CG ASP A 99 -9.930 3.317 -8.653 1.00 0.00 C ATOM 1589 OD1 ASP A 99 -10.140 3.611 -7.458 1.00 0.00 O ATOM 1590 OD2 ASP A 99 -10.753 3.538 -9.567 1.00 0.00 O ATOM 0 H ASP A 99 -6.269 1.845 -8.904 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.271 2.184 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.862 3.419 -9.198 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.736 2.095 -9.943 1.00 0.00 H new ATOM 1595 N LEU A 100 -9.055 -0.251 -6.861 1.00 0.00 N ATOM 1596 CA LEU A 100 -9.774 -1.509 -6.823 1.00 0.00 C ATOM 1597 C LEU A 100 -11.190 -1.334 -7.345 1.00 0.00 C ATOM 1598 O LEU A 100 -11.838 -2.300 -7.749 1.00 0.00 O ATOM 1599 CB LEU A 100 -9.799 -2.081 -5.400 1.00 0.00 C ATOM 1600 CG LEU A 100 -8.426 -2.344 -4.772 1.00 0.00 C ATOM 1601 CD1 LEU A 100 -8.529 -3.417 -3.693 1.00 0.00 C ATOM 1602 CD2 LEU A 100 -7.418 -2.749 -5.839 1.00 0.00 C ATOM 0 H LEU A 100 -8.699 0.064 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.251 -2.215 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.346 -1.390 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.359 -3.016 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.078 -1.422 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.545 -3.591 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.216 -3.086 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.899 -4.342 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.449 -2.931 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.759 -3.657 -6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.323 -1.948 -6.573 1.00 0.00 H new ATOM 1614 N ARG A 101 -11.667 -0.095 -7.332 1.00 0.00 N ATOM 1615 CA ARG A 101 -12.998 0.211 -7.830 1.00 0.00 C ATOM 1616 C ARG A 101 -13.104 -0.205 -9.291 1.00 0.00 C ATOM 1617 O ARG A 101 -14.198 -0.320 -9.844 1.00 0.00 O ATOM 1618 CB ARG A 101 -13.289 1.705 -7.684 1.00 0.00 C ATOM 1619 CG ARG A 101 -13.291 2.185 -6.242 1.00 0.00 C ATOM 1620 CD ARG A 101 -13.739 3.634 -6.138 1.00 0.00 C ATOM 1621 NE ARG A 101 -15.153 3.793 -6.466 1.00 0.00 N ATOM 1622 CZ ARG A 101 -15.859 4.881 -6.174 1.00 0.00 C ATOM 1623 NH1 ARG A 101 -15.281 5.907 -5.563 1.00 0.00 N ATOM 1624 NH2 ARG A 101 -17.144 4.947 -6.496 1.00 0.00 N ATOM 0 H ARG A 101 -11.151 0.712 -6.982 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.733 -0.342 -7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -12.544 2.269 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -14.258 1.924 -8.133 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -13.953 1.555 -5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.291 2.081 -5.821 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -13.558 3.998 -5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.139 4.248 -6.810 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.625 3.027 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.292 5.862 -5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.825 6.740 -5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.592 4.162 -6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -17.684 5.783 -6.271 1.00 0.00 H new ATOM 1638 N LEU A 102 -11.944 -0.429 -9.905 1.00 0.00 N ATOM 1639 CA LEU A 102 -11.871 -0.838 -11.296 1.00 0.00 C ATOM 1640 C LEU A 102 -11.779 -2.355 -11.421 1.00 0.00 C ATOM 1641 O LEU A 102 -12.467 -2.961 -12.243 1.00 0.00 O ATOM 1642 CB LEU A 102 -10.655 -0.194 -11.958 1.00 0.00 C ATOM 1643 CG LEU A 102 -10.538 1.321 -11.773 1.00 0.00 C ATOM 1644 CD1 LEU A 102 -9.215 1.817 -12.325 1.00 0.00 C ATOM 1645 CD2 LEU A 102 -11.702 2.035 -12.445 1.00 0.00 C ATOM 0 H LEU A 102 -11.036 -0.331 -9.451 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.782 -0.509 -11.796 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.755 -0.663 -11.561 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.684 -0.412 -13.026 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.574 1.544 -10.707 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.145 2.896 -12.187 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.395 1.330 -11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.153 1.582 -13.388 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.600 3.111 -12.302 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.701 1.809 -13.511 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.640 1.697 -12.004 1.00 0.00 H new ATOM 1657 N PHE A 103 -10.924 -2.967 -10.603 1.00 0.00 N ATOM 1658 CA PHE A 103 -10.741 -4.414 -10.643 1.00 0.00 C ATOM 1659 C PHE A 103 -11.484 -5.096 -9.498 1.00 0.00 C ATOM 1660 O PHE A 103 -12.491 -4.587 -9.003 1.00 0.00 O ATOM 1661 CB PHE A 103 -9.250 -4.762 -10.579 1.00 0.00 C ATOM 1662 CG PHE A 103 -8.355 -3.603 -10.881 1.00 0.00 C ATOM 1663 CD1 PHE A 103 -7.951 -3.330 -12.177 1.00 0.00 C ATOM 1664 CD2 PHE A 103 -7.921 -2.785 -9.859 1.00 0.00 C ATOM 1665 CE1 PHE A 103 -7.124 -2.255 -12.443 1.00 0.00 C ATOM 1666 CE2 PHE A 103 -7.099 -1.714 -10.115 1.00 0.00 C ATOM 1667 CZ PHE A 103 -6.696 -1.446 -11.407 1.00 0.00 C ATOM 0 H PHE A 103 -10.351 -2.486 -9.909 1.00 0.00 H new ATOM 0 HA PHE A 103 -11.155 -4.778 -11.583 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -9.016 -5.143 -9.585 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -9.042 -5.566 -11.285 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.285 -3.962 -12.987 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.231 -2.989 -8.845 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -6.813 -2.048 -13.456 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.768 -1.082 -9.304 1.00 0.00 H new ATOM 0 HZ PHE A 103 -6.048 -0.606 -11.609 1.00 0.00 H new ATOM 1677 N GLU A 104 -10.976 -6.252 -9.086 1.00 0.00 N ATOM 1678 CA GLU A 104 -11.578 -7.023 -8.011 1.00 0.00 C ATOM 1679 C GLU A 104 -10.500 -7.674 -7.166 1.00 0.00 C ATOM 1680 O GLU A 104 -9.356 -7.232 -7.154 1.00 0.00 O ATOM 1681 CB GLU A 104 -12.516 -8.092 -8.573 1.00 0.00 C ATOM 1682 CG GLU A 104 -12.627 -8.083 -10.090 1.00 0.00 C ATOM 1683 CD GLU A 104 -13.649 -9.077 -10.605 1.00 0.00 C ATOM 1684 OE1 GLU A 104 -13.283 -10.253 -10.810 1.00 0.00 O ATOM 1685 OE2 GLU A 104 -14.815 -8.678 -10.806 1.00 0.00 O ATOM 0 H GLU A 104 -10.140 -6.677 -9.487 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.159 -6.344 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.167 -9.073 -8.250 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.509 -7.951 -8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.898 -7.082 -10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.653 -8.311 -10.523 1.00 0.00 H new ATOM 1692 N THR A 105 -10.875 -8.717 -6.446 1.00 0.00 N ATOM 1693 CA THR A 105 -9.928 -9.433 -5.611 1.00 0.00 C ATOM 1694 C THR A 105 -8.813 -10.044 -6.458 1.00 0.00 C ATOM 1695 O THR A 105 -7.635 -9.748 -6.261 1.00 0.00 O ATOM 1696 CB THR A 105 -10.626 -10.545 -4.809 1.00 0.00 C ATOM 1697 OG1 THR A 105 -11.416 -9.974 -3.760 1.00 0.00 O ATOM 1698 CG2 THR A 105 -9.611 -11.513 -4.224 1.00 0.00 C ATOM 0 H THR A 105 -11.826 -9.086 -6.423 1.00 0.00 H new ATOM 0 HA THR A 105 -9.498 -8.713 -4.915 1.00 0.00 H new ATOM 0 HB THR A 105 -11.275 -11.097 -5.488 1.00 0.00 H new ATOM 0 HG1 THR A 105 -10.996 -9.145 -3.448 1.00 0.00 H new ATOM 0 HG21 THR A 105 -10.130 -12.289 -3.662 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.038 -11.971 -5.030 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.936 -10.974 -3.559 1.00 0.00 H new ATOM 1706 N ASP A 106 -9.195 -10.896 -7.403 1.00 0.00 N ATOM 1707 CA ASP A 106 -8.230 -11.551 -8.278 1.00 0.00 C ATOM 1708 C ASP A 106 -7.770 -10.603 -9.379 1.00 0.00 C ATOM 1709 O ASP A 106 -6.681 -10.756 -9.934 1.00 0.00 O ATOM 1710 CB ASP A 106 -8.841 -12.811 -8.892 1.00 0.00 C ATOM 1711 CG ASP A 106 -7.836 -13.611 -9.698 1.00 0.00 C ATOM 1712 OD1 ASP A 106 -7.673 -13.319 -10.901 1.00 0.00 O ATOM 1713 OD2 ASP A 106 -7.213 -14.530 -9.125 1.00 0.00 O ATOM 0 H ASP A 106 -10.167 -11.149 -7.583 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.363 -11.833 -7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.247 -13.438 -8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.676 -12.530 -9.534 1.00 0.00 H new ATOM 1718 N GLY A 107 -8.608 -9.618 -9.682 1.00 0.00 N ATOM 1719 CA GLY A 107 -8.276 -8.652 -10.716 1.00 0.00 C ATOM 1720 C GLY A 107 -7.202 -7.683 -10.266 1.00 0.00 C ATOM 1721 O GLY A 107 -6.243 -7.423 -10.992 1.00 0.00 O ATOM 0 H GLY A 107 -9.511 -9.470 -9.231 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.938 -9.179 -11.608 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.172 -8.096 -10.994 1.00 0.00 H new ATOM 1725 N ALA A 108 -7.368 -7.148 -9.062 1.00 0.00 N ATOM 1726 CA ALA A 108 -6.410 -6.209 -8.498 1.00 0.00 C ATOM 1727 C ALA A 108 -5.087 -6.900 -8.207 1.00 0.00 C ATOM 1728 O ALA A 108 -4.025 -6.389 -8.550 1.00 0.00 O ATOM 1729 CB ALA A 108 -6.971 -5.584 -7.234 1.00 0.00 C ATOM 0 H ALA A 108 -8.163 -7.351 -8.456 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.229 -5.420 -9.228 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.245 -4.883 -6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.894 -5.054 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.177 -6.365 -6.503 1.00 0.00 H new ATOM 1735 N LEU A 109 -5.152 -8.060 -7.565 1.00 0.00 N ATOM 1736 CA LEU A 109 -3.948 -8.812 -7.254 1.00 0.00 C ATOM 1737 C LEU A 109 -3.134 -9.031 -8.522 1.00 0.00 C ATOM 1738 O LEU A 109 -1.911 -8.868 -8.526 1.00 0.00 O ATOM 1739 CB LEU A 109 -4.311 -10.138 -6.604 1.00 0.00 C ATOM 1740 CG LEU A 109 -3.350 -10.644 -5.518 1.00 0.00 C ATOM 1741 CD1 LEU A 109 -2.912 -9.512 -4.599 1.00 0.00 C ATOM 1742 CD2 LEU A 109 -4.010 -11.746 -4.705 1.00 0.00 C ATOM 0 H LEU A 109 -6.020 -8.496 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.341 -8.244 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.305 -10.045 -6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.376 -10.896 -7.384 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.465 -11.043 -6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.232 -9.901 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.403 -8.745 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.786 -9.078 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.319 -12.096 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.912 -11.358 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.274 -12.575 -5.362 1.00 0.00 H new ATOM 1754 N GLU A 110 -3.825 -9.372 -9.608 1.00 0.00 N ATOM 1755 CA GLU A 110 -3.166 -9.592 -10.888 1.00 0.00 C ATOM 1756 C GLU A 110 -2.474 -8.318 -11.354 1.00 0.00 C ATOM 1757 O GLU A 110 -1.388 -8.371 -11.930 1.00 0.00 O ATOM 1758 CB GLU A 110 -4.166 -10.059 -11.942 1.00 0.00 C ATOM 1759 CG GLU A 110 -4.416 -11.559 -11.926 1.00 0.00 C ATOM 1760 CD GLU A 110 -5.305 -12.011 -13.067 1.00 0.00 C ATOM 1761 OE1 GLU A 110 -6.542 -11.934 -12.923 1.00 0.00 O ATOM 1762 OE2 GLU A 110 -4.762 -12.441 -14.107 1.00 0.00 O ATOM 0 H GLU A 110 -4.837 -9.501 -9.625 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.418 -10.373 -10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.112 -9.540 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.802 -9.771 -12.928 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -3.462 -12.084 -11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.877 -11.837 -10.978 1.00 0.00 H new ATOM 1769 N GLU A 111 -3.114 -7.173 -11.109 1.00 0.00 N ATOM 1770 CA GLU A 111 -2.539 -5.884 -11.483 1.00 0.00 C ATOM 1771 C GLU A 111 -1.117 -5.796 -10.962 1.00 0.00 C ATOM 1772 O GLU A 111 -0.171 -5.551 -11.715 1.00 0.00 O ATOM 1773 CB GLU A 111 -3.366 -4.739 -10.905 1.00 0.00 C ATOM 1774 CG GLU A 111 -4.633 -4.444 -11.680 1.00 0.00 C ATOM 1775 CD GLU A 111 -4.355 -3.919 -13.075 1.00 0.00 C ATOM 1776 OE1 GLU A 111 -4.122 -2.700 -13.215 1.00 0.00 O ATOM 1777 OE2 GLU A 111 -4.372 -4.726 -14.027 1.00 0.00 O ATOM 0 H GLU A 111 -4.026 -7.114 -10.656 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.541 -5.801 -12.570 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.630 -4.978 -9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.752 -3.839 -10.876 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.231 -5.352 -11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.227 -3.713 -11.132 1.00 0.00 H new ATOM 1784 N ILE A 112 -0.982 -5.988 -9.658 1.00 0.00 N ATOM 1785 CA ILE A 112 0.324 -5.971 -9.022 1.00 0.00 C ATOM 1786 C ILE A 112 1.303 -6.824 -9.817 1.00 0.00 C ATOM 1787 O ILE A 112 2.363 -6.352 -10.213 1.00 0.00 O ATOM 1788 CB ILE A 112 0.255 -6.486 -7.570 1.00 0.00 C ATOM 1789 CG1 ILE A 112 -0.623 -5.567 -6.726 1.00 0.00 C ATOM 1790 CG2 ILE A 112 1.650 -6.592 -6.969 1.00 0.00 C ATOM 1791 CD1 ILE A 112 -1.958 -6.175 -6.370 1.00 0.00 C ATOM 0 H ILE A 112 -1.761 -6.157 -9.021 1.00 0.00 H new ATOM 0 HA ILE A 112 0.667 -4.937 -9.001 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.188 -7.482 -7.577 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.092 -5.311 -5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.789 -4.636 -7.268 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.578 -6.957 -5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 112 2.249 -7.285 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.123 -5.610 -6.972 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.531 -5.468 -5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.508 -6.405 -7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.800 -7.091 -5.800 1.00 0.00 H new ATOM 1803 N LEU A 113 0.929 -8.076 -10.071 1.00 0.00 N ATOM 1804 CA LEU A 113 1.776 -8.984 -10.830 1.00 0.00 C ATOM 1805 C LEU A 113 2.112 -8.415 -12.208 1.00 0.00 C ATOM 1806 O LEU A 113 3.192 -8.663 -12.746 1.00 0.00 O ATOM 1807 CB LEU A 113 1.083 -10.329 -10.992 1.00 0.00 C ATOM 1808 CG LEU A 113 1.171 -11.279 -9.811 1.00 0.00 C ATOM 1809 CD1 LEU A 113 2.550 -11.311 -9.225 1.00 0.00 C ATOM 1810 CD2 LEU A 113 0.139 -10.895 -8.789 1.00 0.00 C ATOM 0 H LEU A 113 0.046 -8.482 -9.762 1.00 0.00 H new ATOM 0 HA LEU A 113 2.706 -9.112 -10.276 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.030 -10.147 -11.207 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.505 -10.828 -11.864 1.00 0.00 H new ATOM 0 HG LEU A 113 0.965 -12.292 -10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.571 -12.002 -8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.260 -11.641 -9.983 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.823 -10.313 -8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.198 -11.575 -7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 113 0.323 -9.875 -8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.854 -10.956 -9.234 1.00 0.00 H new ATOM 2019 N ARG A 127 4.736 -11.614 4.566 1.00 0.00 N ATOM 2020 CA ARG A 127 3.984 -10.730 5.451 1.00 0.00 C ATOM 2021 C ARG A 127 3.284 -9.614 4.678 1.00 0.00 C ATOM 2022 O ARG A 127 2.154 -9.247 4.999 1.00 0.00 O ATOM 2023 CB ARG A 127 4.916 -10.130 6.505 1.00 0.00 C ATOM 2024 CG ARG A 127 5.084 -11.000 7.737 1.00 0.00 C ATOM 2025 CD ARG A 127 3.856 -10.933 8.629 1.00 0.00 C ATOM 2026 NE ARG A 127 3.616 -9.580 9.127 1.00 0.00 N ATOM 2027 CZ ARG A 127 2.605 -9.255 9.925 1.00 0.00 C ATOM 2028 NH1 ARG A 127 1.744 -10.182 10.323 1.00 0.00 N ATOM 2029 NH2 ARG A 127 2.454 -8.001 10.327 1.00 0.00 N ATOM 0 HA ARG A 127 3.214 -11.327 5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.894 -9.958 6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.529 -9.157 6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.261 -12.032 7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 127 5.961 -10.676 8.297 1.00 0.00 H new ATOM 0 HD2 ARG A 127 2.984 -11.275 8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.982 -11.613 9.472 1.00 0.00 H new ATOM 0 HE ARG A 127 4.262 -8.843 8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 127 1.857 -11.148 10.016 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.969 -9.929 10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 127 3.114 -7.285 10.024 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.678 -7.752 10.940 1.00 0.00 H new ATOM 2043 N MET A 128 3.959 -9.074 3.667 1.00 0.00 N ATOM 2044 CA MET A 128 3.385 -8.001 2.860 1.00 0.00 C ATOM 2045 C MET A 128 2.175 -8.507 2.089 1.00 0.00 C ATOM 2046 O MET A 128 1.122 -7.874 2.084 1.00 0.00 O ATOM 2047 CB MET A 128 4.446 -7.428 1.900 1.00 0.00 C ATOM 2048 CG MET A 128 3.930 -7.073 0.506 1.00 0.00 C ATOM 2049 SD MET A 128 4.970 -7.738 -0.807 1.00 0.00 S ATOM 2050 CE MET A 128 3.733 -8.128 -2.042 1.00 0.00 C ATOM 0 H MET A 128 4.898 -9.359 3.388 1.00 0.00 H new ATOM 0 HA MET A 128 3.056 -7.201 3.523 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.877 -6.534 2.350 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.253 -8.154 1.799 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.916 -7.455 0.390 1.00 0.00 H new ATOM 0 HG3 MET A 128 3.876 -5.989 0.408 1.00 0.00 H new ATOM 0 HE1 MET A 128 4.218 -8.551 -2.922 1.00 0.00 H new ATOM 0 HE2 MET A 128 3.027 -8.851 -1.634 1.00 0.00 H new ATOM 0 HE3 MET A 128 3.200 -7.219 -2.323 1.00 0.00 H new ATOM 2060 N PHE A 129 2.338 -9.650 1.439 1.00 0.00 N ATOM 2061 CA PHE A 129 1.266 -10.242 0.651 1.00 0.00 C ATOM 2062 C PHE A 129 0.074 -10.595 1.532 1.00 0.00 C ATOM 2063 O PHE A 129 -1.073 -10.531 1.091 1.00 0.00 O ATOM 2064 CB PHE A 129 1.766 -11.486 -0.084 1.00 0.00 C ATOM 2065 CG PHE A 129 0.729 -12.112 -0.971 1.00 0.00 C ATOM 2066 CD1 PHE A 129 0.293 -11.460 -2.116 1.00 0.00 C ATOM 2067 CD2 PHE A 129 0.187 -13.348 -0.661 1.00 0.00 C ATOM 2068 CE1 PHE A 129 -0.663 -12.031 -2.933 1.00 0.00 C ATOM 2069 CE2 PHE A 129 -0.769 -13.925 -1.476 1.00 0.00 C ATOM 2070 CZ PHE A 129 -1.196 -13.266 -2.613 1.00 0.00 C ATOM 0 H PHE A 129 3.205 -10.188 1.442 1.00 0.00 H new ATOM 0 HA PHE A 129 0.942 -9.506 -0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.635 -11.219 -0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 129 2.099 -12.222 0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.706 -10.495 -2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 129 0.515 -13.867 0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -0.994 -11.513 -3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.182 -14.891 -1.224 1.00 0.00 H new ATOM 0 HZ PHE A 129 -1.944 -13.714 -3.250 1.00 0.00 H new ATOM 2080 N ARG A 130 0.350 -10.980 2.774 1.00 0.00 N ATOM 2081 CA ARG A 130 -0.703 -11.325 3.715 1.00 0.00 C ATOM 2082 C ARG A 130 -1.704 -10.184 3.830 1.00 0.00 C ATOM 2083 O ARG A 130 -2.913 -10.404 3.894 1.00 0.00 O ATOM 2084 CB ARG A 130 -0.092 -11.640 5.071 1.00 0.00 C ATOM 2085 CG ARG A 130 0.800 -12.863 5.031 1.00 0.00 C ATOM 2086 CD ARG A 130 -0.014 -14.146 5.043 1.00 0.00 C ATOM 2087 NE ARG A 130 -0.922 -14.246 3.903 1.00 0.00 N ATOM 2088 CZ ARG A 130 -2.067 -14.921 3.930 1.00 0.00 C ATOM 2089 NH1 ARG A 130 -2.441 -15.555 5.034 1.00 0.00 N ATOM 2090 NH2 ARG A 130 -2.840 -14.965 2.853 1.00 0.00 N ATOM 0 H ARG A 130 1.295 -11.060 3.150 1.00 0.00 H new ATOM 0 HA ARG A 130 -1.233 -12.206 3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 130 0.487 -10.782 5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -0.889 -11.798 5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 130 1.421 -12.833 4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 130 1.475 -12.851 5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 130 0.662 -15.001 5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -0.590 -14.198 5.967 1.00 0.00 H new ATOM 0 HE ARG A 130 -0.663 -13.771 3.038 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -1.850 -15.525 5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -3.320 -16.072 5.052 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -2.556 -14.480 2.002 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -3.718 -15.484 2.876 1.00 0.00 H new ATOM 2104 N LEU A 131 -1.182 -8.963 3.858 1.00 0.00 N ATOM 2105 CA LEU A 131 -1.999 -7.772 3.942 1.00 0.00 C ATOM 2106 C LEU A 131 -2.553 -7.418 2.570 1.00 0.00 C ATOM 2107 O LEU A 131 -3.746 -7.173 2.406 1.00 0.00 O ATOM 2108 CB LEU A 131 -1.148 -6.615 4.456 1.00 0.00 C ATOM 2109 CG LEU A 131 -0.260 -6.945 5.647 1.00 0.00 C ATOM 2110 CD1 LEU A 131 0.911 -5.986 5.709 1.00 0.00 C ATOM 2111 CD2 LEU A 131 -1.059 -6.893 6.936 1.00 0.00 C ATOM 0 H LEU A 131 -0.180 -8.778 3.823 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.829 -7.956 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.518 -6.258 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.809 -5.793 4.732 1.00 0.00 H new ATOM 0 HG LEU A 131 0.126 -7.957 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.538 -6.233 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.497 -6.068 4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.541 -4.966 5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.408 -7.132 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.471 -5.893 7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.872 -7.617 6.889 1.00 0.00 H new ATOM 2123 N LEU A 132 -1.651 -7.390 1.597 1.00 0.00 N ATOM 2124 CA LEU A 132 -1.986 -7.067 0.217 1.00 0.00 C ATOM 2125 C LEU A 132 -3.241 -7.790 -0.263 1.00 0.00 C ATOM 2126 O LEU A 132 -4.219 -7.155 -0.660 1.00 0.00 O ATOM 2127 CB LEU A 132 -0.814 -7.438 -0.681 1.00 0.00 C ATOM 2128 CG LEU A 132 -0.852 -6.822 -2.073 1.00 0.00 C ATOM 2129 CD1 LEU A 132 -0.046 -5.537 -2.093 1.00 0.00 C ATOM 2130 CD2 LEU A 132 -0.330 -7.811 -3.102 1.00 0.00 C ATOM 0 H LEU A 132 -0.662 -7.592 1.744 1.00 0.00 H new ATOM 0 HA LEU A 132 -2.188 -5.997 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.111 -7.134 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -0.781 -8.523 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 132 -1.884 -6.583 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -0.078 -5.103 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -0.468 -4.832 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.988 -5.752 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.363 -7.357 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.698 -8.079 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -0.950 -8.707 -3.093 1.00 0.00 H new ATOM 2142 N SER A 133 -3.210 -9.116 -0.226 1.00 0.00 N ATOM 2143 CA SER A 133 -4.340 -9.918 -0.674 1.00 0.00 C ATOM 2144 C SER A 133 -5.509 -9.830 0.296 1.00 0.00 C ATOM 2145 O SER A 133 -6.641 -10.115 -0.073 1.00 0.00 O ATOM 2146 CB SER A 133 -3.917 -11.371 -0.875 1.00 0.00 C ATOM 2147 OG SER A 133 -5.043 -12.214 -1.049 1.00 0.00 O ATOM 0 H SER A 133 -2.414 -9.659 0.110 1.00 0.00 H new ATOM 0 HA SER A 133 -4.675 -9.515 -1.630 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.266 -11.446 -1.746 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.338 -11.706 -0.014 1.00 0.00 H new ATOM 0 HG SER A 133 -4.743 -13.138 -1.177 1.00 0.00 H new ATOM 2153 N ALA A 134 -5.234 -9.441 1.535 1.00 0.00 N ATOM 2154 CA ALA A 134 -6.289 -9.307 2.532 1.00 0.00 C ATOM 2155 C ALA A 134 -7.118 -8.060 2.265 1.00 0.00 C ATOM 2156 O ALA A 134 -8.311 -8.019 2.561 1.00 0.00 O ATOM 2157 CB ALA A 134 -5.702 -9.272 3.929 1.00 0.00 C ATOM 0 H ALA A 134 -4.298 -9.215 1.872 1.00 0.00 H new ATOM 0 HA ALA A 134 -6.944 -10.176 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -6.505 -9.172 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -5.154 -10.196 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -5.023 -8.424 4.017 1.00 0.00 H new ATOM 2163 N PHE A 135 -6.473 -7.035 1.720 1.00 0.00 N ATOM 2164 CA PHE A 135 -7.165 -5.802 1.379 1.00 0.00 C ATOM 2165 C PHE A 135 -7.855 -5.988 0.041 1.00 0.00 C ATOM 2166 O PHE A 135 -8.966 -5.512 -0.182 1.00 0.00 O ATOM 2167 CB PHE A 135 -6.182 -4.633 1.301 1.00 0.00 C ATOM 2168 CG PHE A 135 -6.844 -3.309 1.076 1.00 0.00 C ATOM 2169 CD1 PHE A 135 -7.374 -2.590 2.135 1.00 0.00 C ATOM 2170 CD2 PHE A 135 -6.915 -2.775 -0.197 1.00 0.00 C ATOM 2171 CE1 PHE A 135 -7.967 -1.359 1.925 1.00 0.00 C ATOM 2172 CE2 PHE A 135 -7.500 -1.547 -0.414 1.00 0.00 C ATOM 2173 CZ PHE A 135 -8.027 -0.837 0.647 1.00 0.00 C ATOM 0 H PHE A 135 -5.476 -7.035 1.506 1.00 0.00 H new ATOM 0 HA PHE A 135 -7.899 -5.574 2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -5.607 -4.590 2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -5.474 -4.818 0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -7.323 -2.995 3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -6.507 -3.327 -1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -8.382 -0.808 2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -7.547 -1.140 -1.413 1.00 0.00 H new ATOM 0 HZ PHE A 135 -8.486 0.126 0.478 1.00 0.00 H new ATOM 2183 N ILE A 136 -7.175 -6.707 -0.839 1.00 0.00 N ATOM 2184 CA ILE A 136 -7.683 -7.005 -2.159 1.00 0.00 C ATOM 2185 C ILE A 136 -8.907 -7.907 -2.041 1.00 0.00 C ATOM 2186 O ILE A 136 -9.848 -7.823 -2.832 1.00 0.00 O ATOM 2187 CB ILE A 136 -6.584 -7.725 -2.977 1.00 0.00 C ATOM 2188 CG1 ILE A 136 -6.147 -6.885 -4.170 1.00 0.00 C ATOM 2189 CG2 ILE A 136 -7.027 -9.108 -3.418 1.00 0.00 C ATOM 2190 CD1 ILE A 136 -4.749 -6.341 -4.011 1.00 0.00 C ATOM 0 H ILE A 136 -6.252 -7.099 -0.652 1.00 0.00 H new ATOM 0 HA ILE A 136 -7.965 -6.080 -2.662 1.00 0.00 H new ATOM 0 HB ILE A 136 -5.723 -7.852 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -6.197 -7.491 -5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -6.843 -6.057 -4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -6.228 -9.581 -3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -7.254 -9.714 -2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -7.918 -9.023 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -4.487 -5.750 -4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -4.702 -5.712 -3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -4.046 -7.168 -3.907 1.00 0.00 H new ATOM 2202 N ALA A 137 -8.867 -8.768 -1.031 1.00 0.00 N ATOM 2203 CA ALA A 137 -9.924 -9.734 -0.775 1.00 0.00 C ATOM 2204 C ALA A 137 -11.043 -9.168 0.094 1.00 0.00 C ATOM 2205 O ALA A 137 -12.206 -9.145 -0.310 1.00 0.00 O ATOM 2206 CB ALA A 137 -9.319 -10.958 -0.106 1.00 0.00 C ATOM 0 H ALA A 137 -8.096 -8.814 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 137 -10.373 -9.998 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -10.103 -11.690 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -8.568 -11.398 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -8.852 -10.665 0.834 1.00 0.00 H new ATOM 2212 N ASP A 138 -10.680 -8.713 1.287 1.00 0.00 N ATOM 2213 CA ASP A 138 -11.651 -8.190 2.240 1.00 0.00 C ATOM 2214 C ASP A 138 -11.813 -6.678 2.149 1.00 0.00 C ATOM 2215 O ASP A 138 -12.920 -6.157 2.279 1.00 0.00 O ATOM 2216 CB ASP A 138 -11.242 -8.588 3.653 1.00 0.00 C ATOM 2217 CG ASP A 138 -11.469 -10.061 3.925 1.00 0.00 C ATOM 2218 OD1 ASP A 138 -10.576 -10.871 3.598 1.00 0.00 O ATOM 2219 OD2 ASP A 138 -12.542 -10.407 4.464 1.00 0.00 O ATOM 0 H ASP A 138 -9.716 -8.696 1.619 1.00 0.00 H new ATOM 0 HA ASP A 138 -12.619 -8.625 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -10.189 -8.351 3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -11.808 -7.997 4.373 1.00 0.00 H new