USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 741 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 31 HIS : no HE2:sc= -1.69 K(o=-3.9,f=-14!) USER MOD Set 1.2: A 33 CYS SG : rot -160:sc= -2.25! USER MOD Single : A 14 GLN : amide:sc= -0.762 K(o=-0.76,f=-3.5!) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -106:sc= -0.252 (180deg=-1.91!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.518 K(o=-0.52,f=-1.2!) USER MOD Single : A 27 LYS NZ :NH3+ -106:sc= -1.1 (180deg=-1.67) USER MOD Single : A 29 THR OG1 : rot -90:sc= 0.435 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.214 USER MOD Single : A 43 SER OG : rot 160:sc= -0.867 USER MOD Single : A 67 ASN : amide:sc= -0.612 X(o=-0.61,f=-1) USER MOD Single : A 68 THR OG1 : rot -31:sc= 0.856 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.422 F(o=-2!,f=-0.42) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc=-0.00185 (180deg=-0.151) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.725 F(o=-1.6,f=-0.73) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 101 THR OG1 : rot 110:sc= -0.0298 USER MOD Single : A 112 GLN : amide:sc= -4.54! C(o=-4.5!,f=-4.8!) USER MOD Single : A 113 SER OG : rot 83:sc= 1.2 USER MOD Single : A 118 THR OG1 : rot -83:sc= -1.25 USER MOD ----------------------------------------------------------------- ATOM 112 N GLN A 14 0.170 12.081 -0.957 1.00 0.00 N ATOM 113 CA GLN A 14 0.810 11.324 0.107 1.00 0.00 C ATOM 114 C GLN A 14 1.888 10.401 -0.453 1.00 0.00 C ATOM 115 O GLN A 14 1.591 9.453 -1.182 1.00 0.00 O ATOM 116 CB GLN A 14 -0.238 10.513 0.871 1.00 0.00 C ATOM 117 CG GLN A 14 0.353 9.411 1.733 1.00 0.00 C ATOM 118 CD GLN A 14 1.301 9.941 2.791 1.00 0.00 C ATOM 119 OE1 GLN A 14 2.503 10.069 2.556 1.00 0.00 O ATOM 120 NE2 GLN A 14 0.765 10.247 3.966 1.00 0.00 N ATOM 0 HA GLN A 14 1.288 12.025 0.791 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.816 11.187 1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.933 10.071 0.158 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.454 8.861 2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.884 8.703 1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.236 10.125 4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.354 10.604 4.718 1.00 0.00 H new ATOM 129 N GLN A 15 3.140 10.684 -0.107 1.00 0.00 N ATOM 130 CA GLN A 15 4.264 9.878 -0.570 1.00 0.00 C ATOM 131 C GLN A 15 5.216 9.568 0.581 1.00 0.00 C ATOM 132 O GLN A 15 5.492 10.426 1.419 1.00 0.00 O ATOM 133 CB GLN A 15 5.015 10.602 -1.690 1.00 0.00 C ATOM 134 CG GLN A 15 4.141 10.950 -2.883 1.00 0.00 C ATOM 135 CD GLN A 15 4.907 11.669 -3.978 1.00 0.00 C ATOM 136 OE1 GLN A 15 6.107 11.458 -4.153 1.00 0.00 O ATOM 137 NE2 GLN A 15 4.214 12.524 -4.721 1.00 0.00 N ATOM 0 H GLN A 15 3.402 11.466 0.493 1.00 0.00 H new ATOM 0 HA GLN A 15 3.871 8.939 -0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.451 11.518 -1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.841 9.975 -2.026 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.706 10.037 -3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.313 11.577 -2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.220 12.668 -4.540 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.675 13.037 -5.472 1.00 0.00 H new ATOM 146 N GLY A 16 5.714 8.337 0.615 1.00 0.00 N ATOM 147 CA GLY A 16 6.627 7.934 1.670 1.00 0.00 C ATOM 148 C GLY A 16 7.074 6.492 1.533 1.00 0.00 C ATOM 149 O GLY A 16 7.647 6.107 0.512 1.00 0.00 O ATOM 0 H GLY A 16 5.502 7.610 -0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.501 8.585 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.142 8.070 2.637 1.00 0.00 H new ATOM 153 N GLU A 17 6.811 5.692 2.561 1.00 0.00 N ATOM 154 CA GLU A 17 7.191 4.283 2.553 1.00 0.00 C ATOM 155 C GLU A 17 6.091 3.417 3.160 1.00 0.00 C ATOM 156 O GLU A 17 5.366 3.850 4.054 1.00 0.00 O ATOM 157 CB GLU A 17 8.496 4.081 3.325 1.00 0.00 C ATOM 158 CG GLU A 17 9.674 4.844 2.743 1.00 0.00 C ATOM 159 CD GLU A 17 10.951 4.638 3.534 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.694 3.683 3.225 1.00 0.00 O ATOM 161 OE2 GLU A 17 11.208 5.432 4.464 1.00 0.00 O ATOM 0 H GLU A 17 6.336 5.995 3.411 1.00 0.00 H new ATOM 0 HA GLU A 17 7.337 3.979 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.348 4.392 4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.736 3.018 3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.834 4.527 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.436 5.907 2.716 1.00 0.00 H new ATOM 168 N LEU A 18 5.976 2.189 2.664 1.00 0.00 N ATOM 169 CA LEU A 18 4.969 1.253 3.155 1.00 0.00 C ATOM 170 C LEU A 18 5.471 -0.184 3.047 1.00 0.00 C ATOM 171 O LEU A 18 6.580 -0.429 2.571 1.00 0.00 O ATOM 172 CB LEU A 18 3.664 1.415 2.373 1.00 0.00 C ATOM 173 CG LEU A 18 2.466 1.894 3.199 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.248 2.083 2.306 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.159 0.912 4.320 1.00 0.00 C ATOM 0 H LEU A 18 6.568 1.818 1.921 1.00 0.00 H new ATOM 0 HA LEU A 18 4.779 1.476 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.831 2.122 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.411 0.458 1.916 1.00 0.00 H new ATOM 0 HG LEU A 18 2.719 2.855 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.405 2.423 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.470 2.826 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.995 1.135 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.305 1.271 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.926 -0.064 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.026 0.825 4.975 1.00 0.00 H new ATOM 187 N TYR A 19 4.648 -1.132 3.488 1.00 0.00 N ATOM 188 CA TYR A 19 5.017 -2.541 3.442 1.00 0.00 C ATOM 189 C TYR A 19 3.907 -3.385 2.826 1.00 0.00 C ATOM 190 O TYR A 19 2.721 -3.127 3.038 1.00 0.00 O ATOM 191 CB TYR A 19 5.337 -3.050 4.848 1.00 0.00 C ATOM 192 CG TYR A 19 6.490 -2.324 5.501 1.00 0.00 C ATOM 193 CD1 TYR A 19 7.797 -2.753 5.319 1.00 0.00 C ATOM 194 CD2 TYR A 19 6.268 -1.209 6.299 1.00 0.00 C ATOM 195 CE1 TYR A 19 8.855 -2.092 5.915 1.00 0.00 C ATOM 196 CE2 TYR A 19 7.320 -0.542 6.899 1.00 0.00 C ATOM 197 CZ TYR A 19 8.610 -0.988 6.704 1.00 0.00 C ATOM 198 OH TYR A 19 9.660 -0.325 7.299 1.00 0.00 O ATOM 0 H TYR A 19 3.724 -0.949 3.880 1.00 0.00 H new ATOM 0 HA TYR A 19 5.903 -2.633 2.814 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.451 -2.947 5.474 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.569 -4.114 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.991 -3.618 4.702 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.258 -0.858 6.453 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.867 -2.438 5.764 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.132 0.324 7.517 1.00 0.00 H new ATOM 0 HH TYR A 19 9.317 0.431 7.820 1.00 0.00 H new ATOM 208 N MET A 20 4.306 -4.397 2.064 1.00 0.00 N ATOM 209 CA MET A 20 3.359 -5.292 1.410 1.00 0.00 C ATOM 210 C MET A 20 3.719 -6.750 1.677 1.00 0.00 C ATOM 211 O MET A 20 4.878 -7.077 1.932 1.00 0.00 O ATOM 212 CB MET A 20 3.336 -5.025 -0.096 1.00 0.00 C ATOM 213 CG MET A 20 2.673 -3.709 -0.467 1.00 0.00 C ATOM 214 SD MET A 20 3.022 -3.209 -2.164 1.00 0.00 S ATOM 215 CE MET A 20 2.339 -4.591 -3.077 1.00 0.00 C ATOM 0 H MET A 20 5.285 -4.619 1.883 1.00 0.00 H new ATOM 0 HA MET A 20 2.368 -5.101 1.821 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.359 -5.027 -0.473 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.811 -5.840 -0.594 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.595 -3.800 -0.334 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.014 -2.930 0.215 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.150 -5.209 -3.462 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.710 -5.188 -2.417 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.741 -4.218 -3.909 1.00 0.00 H new ATOM 225 N TRP A 21 2.718 -7.622 1.616 1.00 0.00 N ATOM 226 CA TRP A 21 2.926 -9.045 1.857 1.00 0.00 C ATOM 227 C TRP A 21 3.528 -9.732 0.635 1.00 0.00 C ATOM 228 O TRP A 21 3.059 -9.550 -0.489 1.00 0.00 O ATOM 229 CB TRP A 21 1.606 -9.718 2.237 1.00 0.00 C ATOM 230 CG TRP A 21 1.687 -11.215 2.289 1.00 0.00 C ATOM 231 CD1 TRP A 21 0.957 -12.100 1.548 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.548 -12.002 3.121 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.308 -13.388 1.872 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.282 -13.355 2.834 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.518 -11.697 4.081 1.00 0.00 C ATOM 236 CZ2 TRP A 21 2.949 -14.397 3.471 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.179 -12.735 4.712 1.00 0.00 C ATOM 238 CH2 TRP A 21 3.892 -14.068 4.404 1.00 0.00 C ATOM 0 H TRP A 21 1.754 -7.368 1.401 1.00 0.00 H new ATOM 0 HA TRP A 21 3.630 -9.144 2.684 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.285 -9.346 3.210 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.840 -9.429 1.517 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.213 -11.827 0.815 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.908 -14.232 1.462 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.747 -10.670 4.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 2.729 -15.428 3.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.930 -12.512 5.456 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.427 -14.855 4.914 1.00 0.00 H new ATOM 249 N ASP A 22 4.571 -10.521 0.870 1.00 0.00 N ATOM 250 CA ASP A 22 5.241 -11.251 -0.200 1.00 0.00 C ATOM 251 C ASP A 22 5.134 -12.752 0.035 1.00 0.00 C ATOM 252 O ASP A 22 5.860 -13.312 0.855 1.00 0.00 O ATOM 253 CB ASP A 22 6.712 -10.837 -0.283 1.00 0.00 C ATOM 254 CG ASP A 22 6.884 -9.384 -0.679 1.00 0.00 C ATOM 255 OD1 ASP A 22 6.909 -8.522 0.224 1.00 0.00 O ATOM 256 OD2 ASP A 22 6.996 -9.109 -1.892 1.00 0.00 O ATOM 0 H ASP A 22 4.972 -10.672 1.796 1.00 0.00 H new ATOM 0 HA ASP A 22 4.753 -11.008 -1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.189 -11.006 0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.224 -11.471 -1.007 1.00 0.00 H new ATOM 261 N SER A 23 4.220 -13.399 -0.682 1.00 0.00 N ATOM 262 CA SER A 23 4.014 -14.837 -0.543 1.00 0.00 C ATOM 263 C SER A 23 5.147 -15.625 -1.191 1.00 0.00 C ATOM 264 O SER A 23 5.203 -16.850 -1.081 1.00 0.00 O ATOM 265 CB SER A 23 2.675 -15.245 -1.158 1.00 0.00 C ATOM 266 OG SER A 23 2.571 -14.801 -2.500 1.00 0.00 O ATOM 0 H SER A 23 3.610 -12.950 -1.365 1.00 0.00 H new ATOM 0 HA SER A 23 4.004 -15.070 0.522 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.571 -16.329 -1.122 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.859 -14.826 -0.569 1.00 0.00 H new ATOM 0 HG SER A 23 1.706 -15.077 -2.870 1.00 0.00 H new ATOM 272 N ILE A 24 6.049 -14.920 -1.866 1.00 0.00 N ATOM 273 CA ILE A 24 7.180 -15.564 -2.523 1.00 0.00 C ATOM 274 C ILE A 24 8.175 -16.073 -1.487 1.00 0.00 C ATOM 275 O ILE A 24 8.577 -17.236 -1.511 1.00 0.00 O ATOM 276 CB ILE A 24 7.899 -14.599 -3.487 1.00 0.00 C ATOM 277 CG1 ILE A 24 6.910 -14.039 -4.513 1.00 0.00 C ATOM 278 CG2 ILE A 24 9.051 -15.309 -4.185 1.00 0.00 C ATOM 279 CD1 ILE A 24 7.502 -12.978 -5.415 1.00 0.00 C ATOM 0 H ILE A 24 6.019 -13.906 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 24 6.788 -16.402 -3.100 1.00 0.00 H new ATOM 0 HB ILE A 24 8.306 -13.768 -2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.536 -14.858 -5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.053 -13.618 -3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.549 -14.615 -4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.764 -15.664 -3.441 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.666 -16.156 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.742 -12.630 -6.114 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.851 -12.140 -4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.340 -13.399 -5.970 1.00 0.00 H new ATOM 291 N ASP A 25 8.565 -15.187 -0.578 1.00 0.00 N ATOM 292 CA ASP A 25 9.499 -15.533 0.484 1.00 0.00 C ATOM 293 C ASP A 25 8.795 -15.504 1.834 1.00 0.00 C ATOM 294 O ASP A 25 9.400 -15.773 2.871 1.00 0.00 O ATOM 295 CB ASP A 25 10.679 -14.559 0.492 1.00 0.00 C ATOM 296 CG ASP A 25 11.583 -14.735 -0.712 1.00 0.00 C ATOM 297 OD1 ASP A 25 11.331 -14.079 -1.745 1.00 0.00 O ATOM 298 OD2 ASP A 25 12.544 -15.528 -0.623 1.00 0.00 O ATOM 0 H ASP A 25 8.246 -14.218 -0.557 1.00 0.00 H new ATOM 0 HA ASP A 25 9.874 -16.540 0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.302 -13.536 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.260 -14.704 1.403 1.00 0.00 H new ATOM 303 N GLN A 26 7.506 -15.174 1.803 1.00 0.00 N ATOM 304 CA GLN A 26 6.702 -15.093 3.013 1.00 0.00 C ATOM 305 C GLN A 26 7.340 -14.147 4.019 1.00 0.00 C ATOM 306 O GLN A 26 7.848 -14.571 5.058 1.00 0.00 O ATOM 307 CB GLN A 26 6.498 -16.479 3.619 1.00 0.00 C ATOM 308 CG GLN A 26 5.498 -17.320 2.842 1.00 0.00 C ATOM 309 CD GLN A 26 4.227 -17.590 3.623 1.00 0.00 C ATOM 310 OE1 GLN A 26 4.245 -17.681 4.850 1.00 0.00 O ATOM 311 NE2 GLN A 26 3.114 -17.718 2.909 1.00 0.00 N ATOM 0 H GLN A 26 6.996 -14.958 0.946 1.00 0.00 H new ATOM 0 HA GLN A 26 5.723 -14.694 2.748 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.455 -17.000 3.653 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.155 -16.374 4.648 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.246 -16.810 1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.961 -18.269 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.147 -17.635 1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.226 -17.900 3.377 1.00 0.00 H new ATOM 320 N LYS A 27 7.313 -12.860 3.691 1.00 0.00 N ATOM 321 CA LYS A 27 7.892 -11.834 4.551 1.00 0.00 C ATOM 322 C LYS A 27 7.463 -10.441 4.095 1.00 0.00 C ATOM 323 O LYS A 27 6.785 -10.293 3.078 1.00 0.00 O ATOM 324 CB LYS A 27 9.418 -11.941 4.545 1.00 0.00 C ATOM 325 CG LYS A 27 10.045 -11.667 3.187 1.00 0.00 C ATOM 326 CD LYS A 27 11.548 -11.890 3.215 1.00 0.00 C ATOM 327 CE LYS A 27 12.184 -11.586 1.868 1.00 0.00 C ATOM 328 NZ LYS A 27 11.989 -10.165 1.470 1.00 0.00 N ATOM 0 H LYS A 27 6.895 -12.501 2.833 1.00 0.00 H new ATOM 0 HA LYS A 27 7.528 -11.992 5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.825 -11.238 5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.705 -12.940 4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.593 -12.317 2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.833 -10.641 2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.996 -11.257 3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.758 -12.923 3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.250 -11.808 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.754 -12.238 1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.275 -10.111 0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.667 -9.615 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.889 -9.775 1.123 1.00 0.00 H new ATOM 342 N TRP A 28 7.864 -9.426 4.853 1.00 0.00 N ATOM 343 CA TRP A 28 7.521 -8.046 4.526 1.00 0.00 C ATOM 344 C TRP A 28 8.728 -7.304 3.961 1.00 0.00 C ATOM 345 O TRP A 28 9.818 -7.345 4.530 1.00 0.00 O ATOM 346 CB TRP A 28 6.995 -7.318 5.763 1.00 0.00 C ATOM 347 CG TRP A 28 5.683 -7.852 6.250 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.491 -8.849 7.162 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.379 -7.419 5.847 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.147 -9.062 7.351 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.444 -8.198 6.554 1.00 0.00 C ATOM 352 CE3 TRP A 28 3.909 -6.448 4.956 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.069 -8.037 6.399 1.00 0.00 C ATOM 354 CZ3 TRP A 28 2.544 -6.289 4.803 1.00 0.00 C ATOM 355 CH2 TRP A 28 1.639 -7.080 5.522 1.00 0.00 C ATOM 0 H TRP A 28 8.426 -9.532 5.697 1.00 0.00 H new ATOM 0 HA TRP A 28 6.739 -8.065 3.767 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.731 -7.397 6.563 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.886 -6.258 5.533 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.280 -9.391 7.662 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.739 -9.752 7.982 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.600 -5.834 4.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.368 -8.646 6.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.170 -5.543 4.118 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.579 -6.931 5.381 1.00 0.00 H new ATOM 366 N THR A 29 8.523 -6.626 2.835 1.00 0.00 N ATOM 367 CA THR A 29 9.591 -5.874 2.189 1.00 0.00 C ATOM 368 C THR A 29 9.310 -4.376 2.232 1.00 0.00 C ATOM 369 O THR A 29 8.162 -3.947 2.122 1.00 0.00 O ATOM 370 CB THR A 29 9.773 -6.307 0.723 1.00 0.00 C ATOM 371 OG1 THR A 29 8.582 -6.028 -0.023 1.00 0.00 O ATOM 372 CG2 THR A 29 10.095 -7.791 0.634 1.00 0.00 C ATOM 0 H THR A 29 7.626 -6.583 2.352 1.00 0.00 H new ATOM 0 HA THR A 29 10.507 -6.086 2.740 1.00 0.00 H new ATOM 0 HB THR A 29 10.606 -5.743 0.302 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.985 -6.804 0.012 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.219 -8.074 -0.411 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.017 -7.996 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.280 -8.367 1.072 1.00 0.00 H new ATOM 380 N ARG A 30 10.367 -3.585 2.391 1.00 0.00 N ATOM 381 CA ARG A 30 10.232 -2.134 2.446 1.00 0.00 C ATOM 382 C ARG A 30 10.305 -1.531 1.047 1.00 0.00 C ATOM 383 O ARG A 30 11.292 -1.709 0.334 1.00 0.00 O ATOM 384 CB ARG A 30 11.326 -1.533 3.332 1.00 0.00 C ATOM 385 CG ARG A 30 11.237 -0.021 3.469 1.00 0.00 C ATOM 386 CD ARG A 30 12.348 0.525 4.352 1.00 0.00 C ATOM 387 NE ARG A 30 12.291 -0.025 5.705 1.00 0.00 N ATOM 388 CZ ARG A 30 13.042 0.413 6.710 1.00 0.00 C ATOM 389 NH1 ARG A 30 13.903 1.404 6.518 1.00 0.00 N ATOM 390 NH2 ARG A 30 12.933 -0.139 7.911 1.00 0.00 N ATOM 0 H ARG A 30 11.325 -3.924 2.484 1.00 0.00 H new ATOM 0 HA ARG A 30 9.258 -1.898 2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.267 -1.983 4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.300 -1.795 2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.296 0.439 2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.269 0.251 3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.314 0.291 3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.273 1.611 4.399 1.00 0.00 H new ATOM 0 HE ARG A 30 11.639 -0.787 5.888 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.990 1.832 5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.478 1.737 7.292 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.272 -0.901 8.064 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.510 0.198 8.682 1.00 0.00 H new ATOM 404 N HIS A 31 9.252 -0.816 0.660 1.00 0.00 N ATOM 405 CA HIS A 31 9.197 -0.186 -0.655 1.00 0.00 C ATOM 406 C HIS A 31 8.790 1.280 -0.548 1.00 0.00 C ATOM 407 O HIS A 31 7.853 1.623 0.173 1.00 0.00 O ATOM 408 CB HIS A 31 8.212 -0.932 -1.558 1.00 0.00 C ATOM 409 CG HIS A 31 6.915 -1.252 -0.886 1.00 0.00 C ATOM 410 ND1 HIS A 31 5.806 -0.436 -0.962 1.00 0.00 N ATOM 411 CD2 HIS A 31 6.551 -2.309 -0.121 1.00 0.00 C ATOM 412 CE1 HIS A 31 4.818 -0.976 -0.269 1.00 0.00 C ATOM 413 NE2 HIS A 31 5.245 -2.112 0.249 1.00 0.00 N ATOM 0 H HIS A 31 8.426 -0.659 1.238 1.00 0.00 H new ATOM 0 HA HIS A 31 10.195 -0.234 -1.091 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.014 -0.329 -2.444 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.674 -1.858 -1.900 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.756 0.446 -1.473 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.173 -3.150 0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.829 -0.558 -0.148 1.00 0.00 H new ATOM 422 N TYR A 32 9.502 2.140 -1.271 1.00 0.00 N ATOM 423 CA TYR A 32 9.209 3.569 -1.264 1.00 0.00 C ATOM 424 C TYR A 32 7.943 3.854 -2.065 1.00 0.00 C ATOM 425 O TYR A 32 7.957 3.834 -3.296 1.00 0.00 O ATOM 426 CB TYR A 32 10.386 4.359 -1.841 1.00 0.00 C ATOM 427 CG TYR A 32 10.204 5.859 -1.773 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.547 6.567 -0.629 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.692 6.567 -2.855 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.384 7.938 -0.562 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.526 7.937 -2.796 1.00 0.00 C ATOM 432 CZ TYR A 32 9.873 8.618 -1.649 1.00 0.00 C ATOM 433 OH TYR A 32 9.709 9.983 -1.585 1.00 0.00 O ATOM 0 H TYR A 32 10.285 1.872 -1.868 1.00 0.00 H new ATOM 0 HA TYR A 32 9.050 3.883 -0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.293 4.087 -1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.533 4.067 -2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.948 6.038 0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.420 6.037 -3.756 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.655 8.474 0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.126 8.472 -3.645 1.00 0.00 H new ATOM 0 HH TYR A 32 9.340 10.308 -2.433 1.00 0.00 H new ATOM 443 N CYS A 33 6.850 4.115 -1.358 1.00 0.00 N ATOM 444 CA CYS A 33 5.572 4.391 -2.001 1.00 0.00 C ATOM 445 C CYS A 33 5.445 5.859 -2.391 1.00 0.00 C ATOM 446 O CYS A 33 6.114 6.727 -1.830 1.00 0.00 O ATOM 447 CB CYS A 33 4.418 3.999 -1.077 1.00 0.00 C ATOM 448 SG CYS A 33 4.157 2.216 -0.941 1.00 0.00 S ATOM 0 H CYS A 33 6.824 4.141 -0.339 1.00 0.00 H new ATOM 0 HA CYS A 33 5.527 3.794 -2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.608 4.405 -0.083 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.501 4.463 -1.441 1.00 0.00 H new ATOM 0 HG CYS A 33 2.953 1.985 -0.508 1.00 0.00 H new ATOM 454 N ALA A 34 4.576 6.121 -3.361 1.00 0.00 N ATOM 455 CA ALA A 34 4.334 7.475 -3.843 1.00 0.00 C ATOM 456 C ALA A 34 3.034 7.529 -4.636 1.00 0.00 C ATOM 457 O ALA A 34 2.919 6.922 -5.700 1.00 0.00 O ATOM 458 CB ALA A 34 5.501 7.952 -4.695 1.00 0.00 C ATOM 0 H ALA A 34 4.023 5.405 -3.833 1.00 0.00 H new ATOM 0 HA ALA A 34 4.243 8.140 -2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.304 8.965 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.413 7.946 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.622 7.288 -5.551 1.00 0.00 H new ATOM 464 N ILE A 35 2.055 8.261 -4.112 1.00 0.00 N ATOM 465 CA ILE A 35 0.759 8.380 -4.768 1.00 0.00 C ATOM 466 C ILE A 35 0.739 9.536 -5.760 1.00 0.00 C ATOM 467 O ILE A 35 0.726 10.705 -5.372 1.00 0.00 O ATOM 468 CB ILE A 35 -0.373 8.576 -3.739 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.418 7.391 -2.773 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.711 8.744 -4.446 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.356 7.595 -1.603 1.00 0.00 C ATOM 0 H ILE A 35 2.135 8.779 -3.237 1.00 0.00 H new ATOM 0 HA ILE A 35 0.594 7.448 -5.308 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.174 9.482 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.723 6.499 -3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.587 7.205 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.499 8.881 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.671 9.616 -5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.923 7.855 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.335 6.714 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.040 8.468 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.370 7.751 -1.972 1.00 0.00 H new ATOM 483 N ALA A 36 0.739 9.197 -7.045 1.00 0.00 N ATOM 484 CA ALA A 36 0.713 10.196 -8.105 1.00 0.00 C ATOM 485 C ALA A 36 -0.668 10.266 -8.746 1.00 0.00 C ATOM 486 O ALA A 36 -1.160 9.275 -9.287 1.00 0.00 O ATOM 487 CB ALA A 36 1.769 9.883 -9.153 1.00 0.00 C ATOM 0 H ALA A 36 0.757 8.233 -7.378 1.00 0.00 H new ATOM 0 HA ALA A 36 0.936 11.168 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.737 10.638 -9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.755 9.884 -8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.573 8.902 -9.585 1.00 0.00 H new ATOM 493 N ASP A 37 -1.288 11.442 -8.679 1.00 0.00 N ATOM 494 CA ASP A 37 -2.616 11.651 -9.249 1.00 0.00 C ATOM 495 C ASP A 37 -3.658 10.784 -8.543 1.00 0.00 C ATOM 496 O ASP A 37 -4.334 11.242 -7.621 1.00 0.00 O ATOM 497 CB ASP A 37 -2.613 11.353 -10.751 1.00 0.00 C ATOM 498 CG ASP A 37 -1.659 12.249 -11.516 1.00 0.00 C ATOM 499 OD1 ASP A 37 -0.474 11.876 -11.651 1.00 0.00 O ATOM 500 OD2 ASP A 37 -2.095 13.322 -11.980 1.00 0.00 O ATOM 0 H ASP A 37 -0.889 12.268 -8.233 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.882 12.698 -9.100 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.336 10.311 -10.911 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.621 11.479 -11.146 1.00 0.00 H new ATOM 505 N ALA A 38 -3.784 9.533 -8.978 1.00 0.00 N ATOM 506 CA ALA A 38 -4.747 8.612 -8.382 1.00 0.00 C ATOM 507 C ALA A 38 -4.162 7.211 -8.212 1.00 0.00 C ATOM 508 O ALA A 38 -4.765 6.356 -7.563 1.00 0.00 O ATOM 509 CB ALA A 38 -6.010 8.555 -9.227 1.00 0.00 C ATOM 0 H ALA A 38 -3.233 9.135 -9.739 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.994 8.989 -7.389 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.721 7.865 -8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.455 9.549 -9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.761 8.211 -10.231 1.00 0.00 H new ATOM 515 N LYS A 39 -2.990 6.978 -8.797 1.00 0.00 N ATOM 516 CA LYS A 39 -2.341 5.675 -8.707 1.00 0.00 C ATOM 517 C LYS A 39 -1.147 5.708 -7.762 1.00 0.00 C ATOM 518 O LYS A 39 -0.452 6.718 -7.655 1.00 0.00 O ATOM 519 CB LYS A 39 -1.891 5.209 -10.092 1.00 0.00 C ATOM 520 CG LYS A 39 -3.041 4.755 -10.975 1.00 0.00 C ATOM 521 CD LYS A 39 -2.544 4.144 -12.275 1.00 0.00 C ATOM 522 CE LYS A 39 -3.698 3.763 -13.187 1.00 0.00 C ATOM 523 NZ LYS A 39 -3.222 3.166 -14.465 1.00 0.00 N ATOM 0 H LYS A 39 -2.473 7.672 -9.336 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.071 4.971 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.361 6.023 -10.587 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.182 4.389 -9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.646 4.025 -10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.688 5.604 -11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.893 4.853 -12.786 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.944 3.261 -12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.347 3.053 -12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.299 4.647 -13.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.039 2.920 -15.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.623 3.852 -14.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.670 2.308 -14.263 1.00 0.00 H new ATOM 537 N LEU A 40 -0.918 4.592 -7.077 1.00 0.00 N ATOM 538 CA LEU A 40 0.197 4.476 -6.146 1.00 0.00 C ATOM 539 C LEU A 40 1.276 3.571 -6.728 1.00 0.00 C ATOM 540 O LEU A 40 1.049 2.382 -6.943 1.00 0.00 O ATOM 541 CB LEU A 40 -0.288 3.917 -4.806 1.00 0.00 C ATOM 542 CG LEU A 40 0.803 3.312 -3.921 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.820 4.369 -3.523 1.00 0.00 C ATOM 544 CD2 LEU A 40 0.192 2.665 -2.688 1.00 0.00 C ATOM 0 H LEU A 40 -1.493 3.753 -7.150 1.00 0.00 H new ATOM 0 HA LEU A 40 0.619 5.468 -5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.780 4.717 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.041 3.154 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 40 1.319 2.541 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.587 3.917 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.283 4.784 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.320 5.165 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.983 2.240 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.352 3.416 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.494 1.875 -2.994 1.00 0.00 H new ATOM 556 N SER A 41 2.456 4.130 -6.964 1.00 0.00 N ATOM 557 CA SER A 41 3.555 3.362 -7.535 1.00 0.00 C ATOM 558 C SER A 41 4.652 3.114 -6.505 1.00 0.00 C ATOM 559 O SER A 41 5.282 4.052 -6.016 1.00 0.00 O ATOM 560 CB SER A 41 4.128 4.093 -8.750 1.00 0.00 C ATOM 561 OG SER A 41 3.097 4.523 -9.621 1.00 0.00 O ATOM 0 H SER A 41 2.676 5.107 -6.770 1.00 0.00 H new ATOM 0 HA SER A 41 3.164 2.394 -7.848 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.711 4.953 -8.419 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.810 3.433 -9.287 1.00 0.00 H new ATOM 0 HG SER A 41 3.490 4.989 -10.388 1.00 0.00 H new ATOM 567 N PHE A 42 4.874 1.844 -6.181 1.00 0.00 N ATOM 568 CA PHE A 42 5.901 1.467 -5.214 1.00 0.00 C ATOM 569 C PHE A 42 7.171 1.014 -5.927 1.00 0.00 C ATOM 570 O PHE A 42 7.111 0.301 -6.929 1.00 0.00 O ATOM 571 CB PHE A 42 5.391 0.360 -4.287 1.00 0.00 C ATOM 572 CG PHE A 42 4.696 -0.764 -5.003 1.00 0.00 C ATOM 573 CD1 PHE A 42 5.423 -1.818 -5.534 1.00 0.00 C ATOM 574 CD2 PHE A 42 3.316 -0.768 -5.144 1.00 0.00 C ATOM 575 CE1 PHE A 42 4.787 -2.855 -6.191 1.00 0.00 C ATOM 576 CE2 PHE A 42 2.676 -1.802 -5.801 1.00 0.00 C ATOM 577 CZ PHE A 42 3.412 -2.846 -6.325 1.00 0.00 C ATOM 0 H PHE A 42 4.357 1.058 -6.574 1.00 0.00 H new ATOM 0 HA PHE A 42 6.136 2.344 -4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.232 -0.046 -3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.704 0.795 -3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.498 -1.829 -5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.735 0.046 -4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.365 -3.671 -6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.601 -1.793 -5.904 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.914 -3.655 -6.839 1.00 0.00 H new ATOM 587 N SER A 43 8.319 1.434 -5.405 1.00 0.00 N ATOM 588 CA SER A 43 9.603 1.074 -5.994 1.00 0.00 C ATOM 589 C SER A 43 10.131 -0.231 -5.407 1.00 0.00 C ATOM 590 O SER A 43 9.555 -0.781 -4.468 1.00 0.00 O ATOM 591 CB SER A 43 10.622 2.194 -5.771 1.00 0.00 C ATOM 592 OG SER A 43 10.838 2.418 -4.388 1.00 0.00 O ATOM 0 H SER A 43 8.386 2.024 -4.576 1.00 0.00 H new ATOM 0 HA SER A 43 9.453 0.933 -7.064 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.565 1.934 -6.252 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.267 3.112 -6.240 1.00 0.00 H new ATOM 0 HG SER A 43 11.691 2.884 -4.261 1.00 0.00 H new ATOM 598 N ASP A 44 11.231 -0.721 -5.971 1.00 0.00 N ATOM 599 CA ASP A 44 11.844 -1.962 -5.510 1.00 0.00 C ATOM 600 C ASP A 44 12.500 -1.765 -4.147 1.00 0.00 C ATOM 601 O ASP A 44 12.694 -0.635 -3.700 1.00 0.00 O ATOM 602 CB ASP A 44 12.882 -2.449 -6.522 1.00 0.00 C ATOM 603 CG ASP A 44 14.047 -1.489 -6.662 1.00 0.00 C ATOM 604 OD1 ASP A 44 13.909 -0.490 -7.400 1.00 0.00 O ATOM 605 OD2 ASP A 44 15.098 -1.735 -6.035 1.00 0.00 O ATOM 0 H ASP A 44 11.717 -0.276 -6.750 1.00 0.00 H new ATOM 0 HA ASP A 44 11.061 -2.714 -5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.255 -3.426 -6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.405 -2.581 -7.493 1.00 0.00 H new ATOM 610 N ASP A 45 12.833 -2.876 -3.492 1.00 0.00 N ATOM 611 CA ASP A 45 13.470 -2.834 -2.179 1.00 0.00 C ATOM 612 C ASP A 45 14.609 -1.819 -2.154 1.00 0.00 C ATOM 613 O ASP A 45 15.346 -1.676 -3.129 1.00 0.00 O ATOM 614 CB ASP A 45 14.004 -4.219 -1.806 1.00 0.00 C ATOM 615 CG ASP A 45 12.924 -5.281 -1.819 1.00 0.00 C ATOM 616 OD1 ASP A 45 12.500 -5.683 -2.924 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.500 -5.710 -0.726 1.00 0.00 O ATOM 0 H ASP A 45 12.671 -3.817 -3.851 1.00 0.00 H new ATOM 0 HA ASP A 45 12.719 -2.528 -1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.794 -4.500 -2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.455 -4.176 -0.814 1.00 0.00 H new ATOM 622 N ILE A 46 14.745 -1.116 -1.034 1.00 0.00 N ATOM 623 CA ILE A 46 15.795 -0.116 -0.882 1.00 0.00 C ATOM 624 C ILE A 46 16.869 -0.593 0.090 1.00 0.00 C ATOM 625 O ILE A 46 17.807 0.140 0.404 1.00 0.00 O ATOM 626 CB ILE A 46 15.225 1.227 -0.384 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.521 1.041 0.963 1.00 0.00 C ATOM 628 CG2 ILE A 46 14.268 1.807 -1.416 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.048 2.337 1.586 1.00 0.00 C ATOM 0 H ILE A 46 14.141 -1.221 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 46 16.239 0.031 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 46 16.048 1.928 -0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.665 0.380 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.202 0.544 1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.872 2.755 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.799 1.971 -2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.446 1.111 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.559 2.126 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 46 14.902 2.993 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.341 2.826 0.916 1.00 0.00 H new ATOM 641 N GLU A 47 16.722 -1.827 0.561 1.00 0.00 N ATOM 642 CA GLU A 47 17.677 -2.409 1.499 1.00 0.00 C ATOM 643 C GLU A 47 17.561 -3.930 1.518 1.00 0.00 C ATOM 644 O GLU A 47 18.557 -4.637 1.673 1.00 0.00 O ATOM 645 CB GLU A 47 17.451 -1.847 2.904 1.00 0.00 C ATOM 646 CG GLU A 47 16.041 -2.063 3.426 1.00 0.00 C ATOM 647 CD GLU A 47 15.845 -1.511 4.824 1.00 0.00 C ATOM 648 OE1 GLU A 47 15.476 -0.324 4.947 1.00 0.00 O ATOM 649 OE2 GLU A 47 16.061 -2.266 5.796 1.00 0.00 O ATOM 0 H GLU A 47 15.950 -2.444 0.309 1.00 0.00 H new ATOM 0 HA GLU A 47 18.682 -2.145 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.159 -2.312 3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.668 -0.779 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.331 -1.588 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.817 -3.130 3.426 1.00 0.00 H new ATOM 841 N ARG A 61 8.446 -0.381 -9.524 1.00 0.00 N ATOM 842 CA ARG A 61 8.336 -1.835 -9.485 1.00 0.00 C ATOM 843 C ARG A 61 6.901 -2.275 -9.760 1.00 0.00 C ATOM 844 O ARG A 61 6.665 -3.345 -10.319 1.00 0.00 O ATOM 845 CB ARG A 61 8.793 -2.362 -8.123 1.00 0.00 C ATOM 846 CG ARG A 61 8.773 -3.878 -8.016 1.00 0.00 C ATOM 847 CD ARG A 61 9.801 -4.518 -8.934 1.00 0.00 C ATOM 848 NE ARG A 61 9.782 -5.976 -8.848 1.00 0.00 N ATOM 849 CZ ARG A 61 10.623 -6.766 -9.508 1.00 0.00 C ATOM 850 NH1 ARG A 61 11.548 -6.241 -10.301 1.00 0.00 N ATOM 851 NH2 ARG A 61 10.540 -8.083 -9.376 1.00 0.00 N ATOM 0 HA ARG A 61 8.980 -2.249 -10.261 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.804 -2.006 -7.926 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.151 -1.943 -7.348 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.971 -4.173 -6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.779 -4.248 -8.268 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.607 -4.213 -9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.795 -4.153 -8.675 1.00 0.00 H new ATOM 0 HE ARG A 61 9.083 -6.413 -8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.615 -5.229 -10.406 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.192 -6.850 -10.806 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.830 -8.491 -8.767 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.186 -8.688 -9.883 1.00 0.00 H new ATOM 865 N GLY A 62 5.947 -1.437 -9.364 1.00 0.00 N ATOM 866 CA GLY A 62 4.546 -1.750 -9.574 1.00 0.00 C ATOM 867 C GLY A 62 3.649 -0.544 -9.370 1.00 0.00 C ATOM 868 O GLY A 62 4.068 0.456 -8.788 1.00 0.00 O ATOM 0 H GLY A 62 6.121 -0.545 -8.901 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.410 -2.134 -10.585 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.247 -2.543 -8.888 1.00 0.00 H new ATOM 872 N ILE A 63 2.413 -0.638 -9.852 1.00 0.00 N ATOM 873 CA ILE A 63 1.458 0.456 -9.720 1.00 0.00 C ATOM 874 C ILE A 63 0.099 -0.049 -9.245 1.00 0.00 C ATOM 875 O ILE A 63 -0.339 -1.137 -9.619 1.00 0.00 O ATOM 876 CB ILE A 63 1.275 1.212 -11.051 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.621 1.747 -11.549 1.00 0.00 C ATOM 878 CG2 ILE A 63 0.274 2.349 -10.882 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.531 2.498 -12.859 1.00 0.00 C ATOM 0 H ILE A 63 2.050 -1.459 -10.336 1.00 0.00 H new ATOM 0 HA ILE A 63 1.868 1.140 -8.977 1.00 0.00 H new ATOM 0 HB ILE A 63 0.884 0.518 -11.795 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.043 2.407 -10.791 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.313 0.913 -11.666 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.155 2.873 -11.830 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.688 1.943 -10.569 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.638 3.045 -10.126 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.523 2.846 -13.148 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.140 1.836 -13.632 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.866 3.353 -12.743 1.00 0.00 H new ATOM 891 N LEU A 64 -0.559 0.754 -8.417 1.00 0.00 N ATOM 892 CA LEU A 64 -1.871 0.410 -7.884 1.00 0.00 C ATOM 893 C LEU A 64 -2.927 1.359 -8.440 1.00 0.00 C ATOM 894 O LEU A 64 -2.998 2.521 -8.042 1.00 0.00 O ATOM 895 CB LEU A 64 -1.847 0.483 -6.353 1.00 0.00 C ATOM 896 CG LEU A 64 -2.770 -0.494 -5.617 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.610 -1.909 -6.154 1.00 0.00 C ATOM 898 CD2 LEU A 64 -2.480 -0.456 -4.125 1.00 0.00 C ATOM 0 H LEU A 64 -0.201 1.655 -8.098 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.122 -0.607 -8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.825 0.308 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.112 1.497 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.802 -0.187 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.277 -2.581 -5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.860 -1.926 -7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.579 -2.235 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.140 -1.153 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.443 -0.740 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.649 0.552 -3.747 1.00 0.00 H new ATOM 910 N ASP A 65 -3.733 0.859 -9.372 1.00 0.00 N ATOM 911 CA ASP A 65 -4.783 1.663 -9.992 1.00 0.00 C ATOM 912 C ASP A 65 -5.588 2.422 -8.942 1.00 0.00 C ATOM 913 O ASP A 65 -5.952 3.580 -9.144 1.00 0.00 O ATOM 914 CB ASP A 65 -5.712 0.773 -10.818 1.00 0.00 C ATOM 915 CG ASP A 65 -6.238 -0.408 -10.026 1.00 0.00 C ATOM 916 OD1 ASP A 65 -7.248 -0.241 -9.312 1.00 0.00 O ATOM 917 OD2 ASP A 65 -5.638 -1.500 -10.118 1.00 0.00 O ATOM 0 H ASP A 65 -3.680 -0.100 -9.715 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.306 2.391 -10.648 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.551 1.366 -11.180 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.177 0.409 -11.695 1.00 0.00 H new ATOM 922 N LEU A 66 -5.858 1.761 -7.820 1.00 0.00 N ATOM 923 CA LEU A 66 -6.623 2.364 -6.730 1.00 0.00 C ATOM 924 C LEU A 66 -8.034 2.738 -7.181 1.00 0.00 C ATOM 925 O LEU A 66 -8.793 3.349 -6.428 1.00 0.00 O ATOM 926 CB LEU A 66 -5.900 3.600 -6.186 1.00 0.00 C ATOM 927 CG LEU A 66 -4.595 3.311 -5.438 1.00 0.00 C ATOM 928 CD1 LEU A 66 -3.881 4.607 -5.093 1.00 0.00 C ATOM 929 CD2 LEU A 66 -4.866 2.497 -4.182 1.00 0.00 C ATOM 0 H LEU A 66 -5.557 0.803 -7.640 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.706 1.623 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.683 4.271 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.575 4.131 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.947 2.725 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.956 4.383 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.651 5.151 -6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.523 5.219 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.926 2.302 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.533 3.054 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.333 1.551 -4.455 1.00 0.00 H new ATOM 941 N ASN A 67 -8.380 2.371 -8.412 1.00 0.00 N ATOM 942 CA ASN A 67 -9.704 2.659 -8.952 1.00 0.00 C ATOM 943 C ASN A 67 -10.583 1.415 -8.900 1.00 0.00 C ATOM 944 O ASN A 67 -11.797 1.489 -9.096 1.00 0.00 O ATOM 945 CB ASN A 67 -9.602 3.163 -10.393 1.00 0.00 C ATOM 946 CG ASN A 67 -8.911 4.509 -10.490 1.00 0.00 C ATOM 947 OD1 ASN A 67 -7.702 4.586 -10.707 1.00 0.00 O ATOM 948 ND2 ASN A 67 -9.679 5.580 -10.327 1.00 0.00 N ATOM 0 H ASN A 67 -7.762 1.874 -9.053 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.157 3.439 -8.340 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.056 2.434 -10.992 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.602 3.240 -10.819 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.271 6.513 -10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.677 5.469 -10.149 1.00 0.00 H new ATOM 955 N THR A 68 -9.959 0.271 -8.634 1.00 0.00 N ATOM 956 CA THR A 68 -10.676 -0.995 -8.554 1.00 0.00 C ATOM 957 C THR A 68 -10.166 -1.843 -7.394 1.00 0.00 C ATOM 958 O THR A 68 -9.519 -2.869 -7.601 1.00 0.00 O ATOM 959 CB THR A 68 -10.547 -1.803 -9.860 1.00 0.00 C ATOM 960 OG1 THR A 68 -9.168 -2.095 -10.122 1.00 0.00 O ATOM 961 CG2 THR A 68 -11.136 -1.038 -11.036 1.00 0.00 C ATOM 0 H THR A 68 -8.955 0.196 -8.470 1.00 0.00 H new ATOM 0 HA THR A 68 -11.726 -0.751 -8.391 1.00 0.00 H new ATOM 0 HB THR A 68 -11.102 -2.733 -9.738 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.608 -1.370 -9.773 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.032 -1.631 -11.945 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.192 -0.842 -10.850 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.607 -0.093 -11.157 1.00 0.00 H new ATOM 969 N TYR A 69 -10.452 -1.401 -6.173 1.00 0.00 N ATOM 970 CA TYR A 69 -10.029 -2.120 -4.974 1.00 0.00 C ATOM 971 C TYR A 69 -10.932 -1.787 -3.791 1.00 0.00 C ATOM 972 O TYR A 69 -11.761 -0.881 -3.861 1.00 0.00 O ATOM 973 CB TYR A 69 -8.584 -1.764 -4.602 1.00 0.00 C ATOM 974 CG TYR A 69 -7.528 -2.562 -5.332 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.178 -3.836 -4.902 1.00 0.00 C ATOM 976 CD2 TYR A 69 -6.871 -2.041 -6.440 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.206 -4.568 -5.554 1.00 0.00 C ATOM 978 CE2 TYR A 69 -5.898 -2.769 -7.100 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.570 -4.031 -6.653 1.00 0.00 C ATOM 980 OH TYR A 69 -4.601 -4.759 -7.305 1.00 0.00 O ATOM 0 H TYR A 69 -10.976 -0.546 -5.987 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.097 -3.185 -5.197 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.422 -0.705 -4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.453 -1.909 -3.530 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.675 -4.261 -4.043 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.124 -1.052 -6.791 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.945 -5.556 -5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.398 -2.351 -7.961 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.252 -4.239 -8.059 1.00 0.00 H new ATOM 990 N ASN A 70 -10.760 -2.534 -2.706 1.00 0.00 N ATOM 991 CA ASN A 70 -11.529 -2.315 -1.486 1.00 0.00 C ATOM 992 C ASN A 70 -10.613 -2.416 -0.272 1.00 0.00 C ATOM 993 O ASN A 70 -9.865 -3.382 -0.127 1.00 0.00 O ATOM 994 CB ASN A 70 -12.669 -3.328 -1.366 1.00 0.00 C ATOM 995 CG ASN A 70 -13.769 -3.092 -2.380 1.00 0.00 C ATOM 996 OD1 ASN A 70 -13.684 -3.774 -3.515 1.00 0.00 O flip ATOM 997 ND2 ASN A 70 -14.689 -2.309 -2.143 1.00 0.00 N flip ATOM 0 H ASN A 70 -10.090 -3.301 -2.647 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.964 -1.317 -1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.271 -4.334 -1.496 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.089 -3.279 -0.362 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.714 -1.805 -1.256 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.426 -2.164 -2.833 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.680 -1.421 0.602 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.841 -1.403 1.793 1.00 0.00 C ATOM 1006 C VAL A 71 -10.587 -1.966 2.998 1.00 0.00 C ATOM 1007 O VAL A 71 -11.684 -1.515 3.330 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.363 0.027 2.115 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.476 0.033 3.350 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.631 0.630 0.924 1.00 0.00 C ATOM 0 H VAL A 71 -11.304 -0.619 0.510 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.974 -2.030 1.585 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.240 0.640 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.150 1.052 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.037 -0.351 4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.605 -0.598 3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.302 1.639 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.764 0.015 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.302 0.668 0.066 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.981 -2.956 3.646 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.577 -3.592 4.814 1.00 0.00 C ATOM 1022 C VAL A 72 -9.556 -3.733 5.936 1.00 0.00 C ATOM 1023 O VAL A 72 -8.518 -4.372 5.767 1.00 0.00 O ATOM 1024 CB VAL A 72 -11.151 -4.982 4.471 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.570 -4.858 3.938 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -10.259 -5.704 3.471 1.00 0.00 C ATOM 0 H VAL A 72 -9.073 -3.336 3.379 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.392 -2.949 5.145 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.180 -5.574 5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.958 -5.849 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.203 -4.391 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.568 -4.245 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.684 -6.682 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.190 -5.117 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.264 -5.831 3.897 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.859 -3.134 7.083 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.962 -3.185 8.231 1.00 0.00 C ATOM 1038 C LYS A 73 -8.924 -4.579 8.847 1.00 0.00 C ATOM 1039 O LYS A 73 -9.862 -4.994 9.530 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.393 -2.164 9.287 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.489 -2.135 10.511 1.00 0.00 C ATOM 1042 CD LYS A 73 -8.969 -1.121 11.539 1.00 0.00 C ATOM 1043 CE LYS A 73 -10.310 -1.519 12.136 1.00 0.00 C ATOM 1044 NZ LYS A 73 -10.779 -0.538 13.154 1.00 0.00 N ATOM 0 H LYS A 73 -10.718 -2.608 7.242 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.960 -2.941 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.411 -1.172 8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.412 -2.389 9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.457 -3.126 10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.471 -1.891 10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.229 -1.030 12.334 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.055 -0.141 11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.051 -1.600 11.341 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.225 -2.505 12.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.696 -0.846 13.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.084 -0.479 13.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.885 0.397 12.712 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.836 -5.299 8.596 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.667 -6.641 9.138 1.00 0.00 C ATOM 1060 C ALA A 74 -7.076 -6.582 10.549 1.00 0.00 C ATOM 1061 O ALA A 74 -5.981 -6.048 10.745 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.775 -7.470 8.226 1.00 0.00 C ATOM 0 H ALA A 74 -7.058 -4.975 8.021 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.647 -7.115 9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.657 -8.470 8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.230 -7.540 7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.798 -6.994 8.143 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.792 -7.134 11.552 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.341 -7.139 12.943 1.00 0.00 C ATOM 1070 C PRO A 75 -6.331 -8.246 13.224 1.00 0.00 C ATOM 1071 O PRO A 75 -6.279 -9.248 12.510 1.00 0.00 O ATOM 1072 CB PRO A 75 -8.630 -7.380 13.747 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.739 -7.473 12.745 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.098 -7.783 11.423 1.00 0.00 C ATOM 0 HA PRO A 75 -6.830 -6.211 13.201 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.557 -8.296 14.333 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -8.808 -6.566 14.450 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.449 -8.252 13.024 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.296 -6.537 12.696 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.005 -8.856 11.258 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.672 -7.381 10.588 1.00 0.00 H new ATOM 1082 N GLN A 76 -5.532 -8.056 14.271 1.00 0.00 N ATOM 1083 CA GLN A 76 -4.521 -9.036 14.657 1.00 0.00 C ATOM 1084 C GLN A 76 -3.587 -9.345 13.495 1.00 0.00 C ATOM 1085 O GLN A 76 -2.885 -10.357 13.499 1.00 0.00 O ATOM 1086 CB GLN A 76 -5.191 -10.322 15.144 1.00 0.00 C ATOM 1087 CG GLN A 76 -6.194 -10.093 16.262 1.00 0.00 C ATOM 1088 CD GLN A 76 -6.699 -11.387 16.867 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -6.122 -11.906 17.822 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -7.785 -11.916 16.313 1.00 0.00 N ATOM 0 H GLN A 76 -5.566 -7.230 14.868 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.930 -8.610 15.468 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.696 -10.800 14.305 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.424 -11.014 15.490 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.731 -9.488 17.042 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.039 -9.523 15.876 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.232 -11.452 15.522 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.172 -12.786 16.679 1.00 0.00 H new ATOM 1099 N GLY A 77 -3.580 -8.462 12.503 1.00 0.00 N ATOM 1100 CA GLY A 77 -2.733 -8.655 11.343 1.00 0.00 C ATOM 1101 C GLY A 77 -3.057 -9.937 10.603 1.00 0.00 C ATOM 1102 O GLY A 77 -4.208 -10.376 10.584 1.00 0.00 O ATOM 0 H GLY A 77 -4.147 -7.615 12.482 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.848 -7.808 10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.689 -8.673 11.657 1.00 0.00 H new ATOM 1106 N LYS A 78 -2.042 -10.540 9.994 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.228 -11.780 9.251 1.00 0.00 C ATOM 1108 C LYS A 78 -0.936 -12.591 9.211 1.00 0.00 C ATOM 1109 O LYS A 78 -0.965 -13.822 9.229 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.708 -11.477 7.832 1.00 0.00 C ATOM 1111 CG LYS A 78 -2.937 -12.716 6.984 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.392 -12.349 5.587 1.00 0.00 C ATOM 1113 CE LYS A 78 -4.785 -11.756 5.598 1.00 0.00 C ATOM 1114 NZ LYS A 78 -5.821 -12.769 5.939 1.00 0.00 N ATOM 0 H LYS A 78 -1.084 -10.191 10.000 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.986 -12.374 9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.637 -10.909 7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.973 -10.841 7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.016 -13.297 6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.686 -13.351 7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.694 -11.634 5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.377 -13.236 4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.825 -10.940 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.004 -11.328 4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.764 -12.387 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.661 -13.631 5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.763 -12.997 6.952 1.00 0.00 H new ATOM 1128 N ASN A 79 0.197 -11.895 9.159 1.00 0.00 N ATOM 1129 CA ASN A 79 1.498 -12.553 9.122 1.00 0.00 C ATOM 1130 C ASN A 79 2.517 -11.795 9.967 1.00 0.00 C ATOM 1131 O ASN A 79 3.109 -10.816 9.511 1.00 0.00 O ATOM 1132 CB ASN A 79 1.999 -12.668 7.681 1.00 0.00 C ATOM 1133 CG ASN A 79 1.067 -13.484 6.806 1.00 0.00 C ATOM 1134 OD1 ASN A 79 0.127 -12.810 6.154 1.00 0.00 O flip ATOM 1135 ND2 ASN A 79 1.193 -14.704 6.714 1.00 0.00 N flip ATOM 0 H ASN A 79 0.239 -10.876 9.142 1.00 0.00 H new ATOM 0 HA ASN A 79 1.379 -13.554 9.538 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.109 -11.670 7.257 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.988 -13.126 7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.930 -15.181 7.233 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.561 -15.239 6.118 1.00 0.00 H new ATOM 1142 N GLN A 80 2.711 -12.250 11.204 1.00 0.00 N ATOM 1143 CA GLN A 80 3.660 -11.619 12.117 1.00 0.00 C ATOM 1144 C GLN A 80 3.341 -10.138 12.307 1.00 0.00 C ATOM 1145 O GLN A 80 4.188 -9.363 12.749 1.00 0.00 O ATOM 1146 CB GLN A 80 5.088 -11.780 11.590 1.00 0.00 C ATOM 1147 CG GLN A 80 5.524 -13.229 11.446 1.00 0.00 C ATOM 1148 CD GLN A 80 6.938 -13.363 10.914 1.00 0.00 C ATOM 1149 OE1 GLN A 80 7.787 -12.503 11.150 1.00 0.00 O ATOM 1150 NE2 GLN A 80 7.198 -14.446 10.191 1.00 0.00 N ATOM 0 H GLN A 80 2.222 -13.055 11.596 1.00 0.00 H new ATOM 0 HA GLN A 80 3.575 -12.114 13.084 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.166 -11.288 10.621 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.775 -11.268 12.264 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.456 -13.723 12.415 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.837 -13.746 10.776 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.464 -15.133 10.020 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.132 -14.591 9.807 1.00 0.00 H new ATOM 1159 N LYS A 81 2.111 -9.755 11.978 1.00 0.00 N ATOM 1160 CA LYS A 81 1.681 -8.367 12.109 1.00 0.00 C ATOM 1161 C LYS A 81 0.450 -8.253 13.003 1.00 0.00 C ATOM 1162 O LYS A 81 -0.189 -9.253 13.330 1.00 0.00 O ATOM 1163 CB LYS A 81 1.374 -7.778 10.733 1.00 0.00 C ATOM 1164 CG LYS A 81 2.612 -7.500 9.898 1.00 0.00 C ATOM 1165 CD LYS A 81 3.321 -6.237 10.356 1.00 0.00 C ATOM 1166 CE LYS A 81 4.612 -6.018 9.587 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.290 -4.753 9.986 1.00 0.00 N ATOM 0 H LYS A 81 1.395 -10.386 11.619 1.00 0.00 H new ATOM 0 HA LYS A 81 2.494 -7.807 12.570 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.727 -8.466 10.189 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.817 -6.850 10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.295 -8.347 9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.330 -7.400 8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.664 -5.378 10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.538 -6.305 11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.284 -6.859 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.398 -5.994 8.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.167 -4.641 9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.660 -3.947 9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.518 -4.786 11.000 1.00 0.00 H new ATOM 1181 N SER A 82 0.126 -7.024 13.392 1.00 0.00 N ATOM 1182 CA SER A 82 -1.033 -6.765 14.239 1.00 0.00 C ATOM 1183 C SER A 82 -2.000 -5.819 13.536 1.00 0.00 C ATOM 1184 O SER A 82 -3.218 -5.971 13.629 1.00 0.00 O ATOM 1185 CB SER A 82 -0.594 -6.168 15.578 1.00 0.00 C ATOM 1186 OG SER A 82 0.280 -7.044 16.266 1.00 0.00 O ATOM 0 H SER A 82 0.652 -6.189 13.133 1.00 0.00 H new ATOM 0 HA SER A 82 -1.541 -7.711 14.428 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.097 -5.213 15.408 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.470 -5.966 16.194 1.00 0.00 H new ATOM 0 HG SER A 82 0.547 -6.638 17.117 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.441 -4.838 12.833 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.237 -3.865 12.097 1.00 0.00 C ATOM 1194 C PHE A 83 -2.053 -4.067 10.596 1.00 0.00 C ATOM 1195 O PHE A 83 -1.045 -3.643 10.028 1.00 0.00 O ATOM 1196 CB PHE A 83 -1.826 -2.442 12.483 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.692 -2.219 13.963 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.687 -2.628 14.837 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.568 -1.593 14.480 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.562 -2.419 16.198 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.438 -1.382 15.838 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.436 -1.795 16.699 1.00 0.00 C ATOM 0 H PHE A 83 -0.434 -4.697 12.759 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.287 -4.010 12.351 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.875 -2.208 12.004 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.563 -1.743 12.087 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.570 -3.115 14.451 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.215 -1.266 13.812 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.344 -2.743 16.869 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.444 -0.894 16.227 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.336 -1.630 17.762 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.021 -4.717 9.957 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.934 -4.978 8.524 1.00 0.00 C ATOM 1214 C VAL A 84 -4.219 -4.595 7.800 1.00 0.00 C ATOM 1215 O VAL A 84 -5.314 -4.742 8.337 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.625 -6.466 8.248 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.755 -6.791 6.766 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.239 -6.825 8.755 1.00 0.00 C ATOM 0 H VAL A 84 -3.867 -5.070 10.404 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.120 -4.361 8.144 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.358 -7.066 8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.531 -7.845 6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.772 -6.581 6.435 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.055 -6.180 6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.039 -7.877 8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.496 -6.210 8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.187 -6.646 9.829 1.00 0.00 H new ATOM 1228 N PHE A 85 -4.067 -4.094 6.579 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.201 -3.708 5.748 1.00 0.00 C ATOM 1230 C PHE A 85 -5.138 -4.452 4.420 1.00 0.00 C ATOM 1231 O PHE A 85 -4.114 -4.431 3.737 1.00 0.00 O ATOM 1232 CB PHE A 85 -5.205 -2.200 5.495 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.758 -1.389 6.632 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -5.103 -1.338 7.850 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.931 -0.672 6.474 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.610 -0.584 8.892 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.442 0.085 7.509 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.780 0.129 8.721 1.00 0.00 C ATOM 0 H PHE A 85 -3.159 -3.945 6.139 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.119 -3.970 6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.185 -1.874 5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.789 -1.994 4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.187 -1.893 7.988 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.453 -0.705 5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.091 -0.553 9.839 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.357 0.642 7.372 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.177 0.720 9.533 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.230 -5.108 4.057 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.278 -5.872 2.819 1.00 0.00 C ATOM 1250 C ILE A 86 -6.998 -5.119 1.707 1.00 0.00 C ATOM 1251 O ILE A 86 -8.022 -4.473 1.933 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.975 -7.227 3.028 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -6.238 -8.049 4.085 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -7.059 -7.995 1.716 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -7.002 -9.272 4.539 1.00 0.00 C ATOM 0 H ILE A 86 -7.093 -5.127 4.600 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.242 -6.032 2.521 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.989 -7.041 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.274 -8.361 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.034 -7.416 4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.555 -8.951 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.628 -7.414 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.054 -8.171 1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.420 -9.807 5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.955 -8.966 4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.183 -9.926 3.686 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.443 -5.207 0.506 1.00 0.00 N ATOM 1268 CA LEU A 87 -7.026 -4.574 -0.665 1.00 0.00 C ATOM 1269 C LEU A 87 -7.696 -5.632 -1.531 1.00 0.00 C ATOM 1270 O LEU A 87 -7.074 -6.629 -1.901 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.953 -3.835 -1.467 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.441 -2.544 -0.827 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.259 -1.996 -1.609 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.553 -1.511 -0.750 1.00 0.00 C ATOM 0 H LEU A 87 -5.580 -5.717 0.318 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.771 -3.846 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.108 -4.507 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.355 -3.599 -2.452 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.109 -2.769 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.907 -1.077 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.455 -2.731 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.566 -1.786 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.171 -0.599 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.914 -1.289 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.373 -1.903 -0.148 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.964 -5.415 -1.854 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.713 -6.369 -2.659 1.00 0.00 C ATOM 1288 C GLU A 88 -10.037 -5.777 -4.028 1.00 0.00 C ATOM 1289 O GLU A 88 -10.910 -4.918 -4.145 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.998 -6.778 -1.935 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.754 -7.401 -0.567 1.00 0.00 C ATOM 1292 CD GLU A 88 -12.040 -7.792 0.132 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.498 -8.938 -0.063 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.591 -6.952 0.875 1.00 0.00 O ATOM 0 H GLU A 88 -9.493 -4.590 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.098 -7.257 -2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.634 -5.901 -1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.545 -7.487 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.124 -8.283 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.205 -6.695 0.057 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.337 -6.234 -5.084 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.546 -5.734 -6.446 1.00 0.00 C ATOM 1303 C PRO A 89 -10.965 -5.964 -6.946 1.00 0.00 C ATOM 1304 O PRO A 89 -11.562 -7.013 -6.698 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.547 -6.535 -7.289 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.230 -7.734 -6.467 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.299 -7.279 -5.040 1.00 0.00 C ATOM 0 HA PRO A 89 -9.399 -4.655 -6.500 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.977 -6.817 -8.250 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.651 -5.952 -7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.942 -8.538 -6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.240 -8.122 -6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.572 -8.093 -4.368 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.343 -6.886 -4.693 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.497 -4.975 -7.652 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.842 -5.059 -8.199 1.00 0.00 C ATOM 1317 C LYS A 90 -12.788 -5.341 -9.695 1.00 0.00 C ATOM 1318 O LYS A 90 -13.807 -5.290 -10.383 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.601 -3.756 -7.946 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.522 -3.274 -6.507 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.275 -1.967 -6.311 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.770 -2.140 -6.533 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.516 -0.870 -6.322 1.00 0.00 N ATOM 0 H LYS A 90 -11.013 -4.101 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.365 -5.876 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.204 -2.981 -8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.648 -3.897 -8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.935 -4.035 -5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.478 -3.139 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.098 -1.593 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.889 -1.217 -7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.947 -2.500 -7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.152 -2.902 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.530 -1.032 -6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.369 -0.539 -5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.171 -0.150 -6.988 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.591 -5.640 -10.190 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.405 -5.921 -11.608 1.00 0.00 C ATOM 1339 C GLN A 91 -12.138 -7.196 -12.014 1.00 0.00 C ATOM 1340 O GLN A 91 -12.989 -7.176 -12.903 1.00 0.00 O ATOM 1341 CB GLN A 91 -9.914 -6.039 -11.933 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.631 -6.307 -13.401 1.00 0.00 C ATOM 1343 CD GLN A 91 -8.149 -6.439 -13.699 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -7.325 -5.726 -12.937 1.00 0.00 O flip ATOM 1345 NE2 GLN A 91 -7.749 -7.170 -14.604 1.00 0.00 N flip ATOM 0 H GLN A 91 -10.739 -5.694 -9.632 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.826 -5.092 -12.177 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.412 -5.118 -11.637 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.483 -6.843 -11.336 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -10.141 -7.222 -13.704 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -10.047 -5.497 -14.000 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.417 -7.700 -15.165 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.750 -7.246 -14.794 1.00 0.00 H new ATOM 1354 N GLN A 92 -11.806 -8.300 -11.351 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.431 -9.589 -11.638 1.00 0.00 C ATOM 1356 C GLN A 92 -11.923 -10.673 -10.693 1.00 0.00 C ATOM 1357 O GLN A 92 -11.228 -11.600 -11.111 1.00 0.00 O ATOM 1358 CB GLN A 92 -12.172 -10.005 -13.087 1.00 0.00 C ATOM 1359 CG GLN A 92 -10.713 -9.912 -13.505 1.00 0.00 C ATOM 1360 CD GLN A 92 -10.497 -10.294 -14.955 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -11.375 -10.105 -15.798 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -9.321 -10.836 -15.256 1.00 0.00 N ATOM 0 H GLN A 92 -11.106 -8.328 -10.610 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.504 -9.473 -11.487 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.515 -11.030 -13.227 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.769 -9.376 -13.747 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.357 -8.894 -13.344 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.114 -10.563 -12.868 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.622 -10.975 -14.527 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.118 -11.113 -16.216 1.00 0.00 H new ATOM 1371 N GLY A 93 -12.273 -10.552 -9.418 1.00 0.00 N ATOM 1372 CA GLY A 93 -11.846 -11.532 -8.436 1.00 0.00 C ATOM 1373 C GLY A 93 -10.338 -11.645 -8.336 1.00 0.00 C ATOM 1374 O GLY A 93 -9.823 -12.560 -7.691 1.00 0.00 O ATOM 0 H GLY A 93 -12.845 -9.793 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.251 -11.262 -7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.262 -12.505 -8.696 1.00 0.00 H new ATOM 1378 N ASP A 94 -9.628 -10.721 -8.983 1.00 0.00 N ATOM 1379 CA ASP A 94 -8.166 -10.711 -8.958 1.00 0.00 C ATOM 1380 C ASP A 94 -7.629 -10.921 -7.540 1.00 0.00 C ATOM 1381 O ASP A 94 -8.347 -10.730 -6.559 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.640 -9.390 -9.521 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.127 -9.124 -10.929 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.348 -8.954 -11.108 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.288 -9.087 -11.853 1.00 0.00 O ATOM 0 H ASP A 94 -10.043 -9.968 -9.532 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.816 -11.536 -9.578 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.952 -8.572 -8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.550 -9.404 -9.514 1.00 0.00 H new ATOM 1390 N PRO A 95 -6.349 -11.318 -7.420 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.704 -11.560 -6.121 1.00 0.00 C ATOM 1392 C PRO A 95 -5.662 -10.311 -5.239 1.00 0.00 C ATOM 1393 O PRO A 95 -5.537 -9.195 -5.741 1.00 0.00 O ATOM 1394 CB PRO A 95 -4.279 -11.980 -6.504 1.00 0.00 C ATOM 1395 CG PRO A 95 -4.088 -11.444 -7.879 1.00 0.00 C ATOM 1396 CD PRO A 95 -5.423 -11.564 -8.537 1.00 0.00 C ATOM 0 HA PRO A 95 -6.247 -12.303 -5.537 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.545 -11.568 -5.812 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.165 -13.064 -6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.753 -10.407 -7.854 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.330 -12.010 -8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -5.549 -10.834 -9.337 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.571 -12.550 -8.978 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.765 -10.486 -3.906 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.733 -9.375 -2.957 1.00 0.00 C ATOM 1406 C PRO A 96 -4.309 -8.987 -2.568 1.00 0.00 C ATOM 1407 O PRO A 96 -3.356 -9.711 -2.859 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.479 -9.944 -1.756 1.00 0.00 C ATOM 1409 CG PRO A 96 -6.158 -11.401 -1.773 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.933 -11.782 -3.217 1.00 0.00 C ATOM 0 HA PRO A 96 -6.170 -8.464 -3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.152 -9.476 -0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.552 -9.773 -1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.270 -11.608 -1.176 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.974 -11.982 -1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -5.051 -12.412 -3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.778 -12.341 -3.619 1.00 0.00 H new ATOM 1418 N VAL A 97 -4.169 -7.840 -1.906 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.860 -7.359 -1.476 1.00 0.00 C ATOM 1420 C VAL A 97 -2.902 -6.868 -0.031 1.00 0.00 C ATOM 1421 O VAL A 97 -3.705 -6.003 0.317 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.355 -6.216 -2.379 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.928 -5.836 -2.013 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.449 -6.609 -3.846 1.00 0.00 C ATOM 0 H VAL A 97 -4.946 -7.228 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.174 -8.202 -1.552 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.992 -5.346 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.589 -5.028 -2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.894 -5.507 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.277 -6.701 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.088 -5.789 -4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.840 -7.495 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.487 -6.825 -4.099 1.00 0.00 H new ATOM 1434 N GLU A 98 -2.027 -7.421 0.804 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.968 -7.044 2.214 1.00 0.00 C ATOM 1436 C GLU A 98 -0.944 -5.934 2.446 1.00 0.00 C ATOM 1437 O GLU A 98 0.072 -5.858 1.754 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.609 -8.259 3.074 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.725 -9.283 3.193 1.00 0.00 C ATOM 1440 CD GLU A 98 -3.160 -9.839 1.851 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.546 -10.824 1.389 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -4.114 -9.290 1.263 1.00 0.00 O ATOM 0 H GLU A 98 -1.349 -8.132 0.529 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.952 -6.674 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.729 -8.743 2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.336 -7.917 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.393 -10.103 3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.582 -8.824 3.686 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.224 -5.078 3.424 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.330 -3.974 3.768 1.00 0.00 C ATOM 1451 C PHE A 99 -0.150 -3.885 5.282 1.00 0.00 C ATOM 1452 O PHE A 99 -1.011 -4.328 6.041 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.889 -2.650 3.245 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.642 -2.398 1.786 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.348 -3.091 0.817 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.288 -1.452 1.385 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -1.130 -2.845 -0.526 1.00 0.00 C ATOM 1458 CE2 PHE A 99 0.512 -1.204 0.045 1.00 0.00 C ATOM 1459 CZ PHE A 99 -0.198 -1.902 -0.913 1.00 0.00 C ATOM 0 H PHE A 99 -2.067 -5.127 3.996 1.00 0.00 H new ATOM 0 HA PHE A 99 0.637 -4.164 3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.963 -2.628 3.427 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.451 -1.834 3.820 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.076 -3.831 1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.844 -0.902 2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.689 -3.390 -1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.241 -0.465 -0.254 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.025 -1.711 -1.962 1.00 0.00 H new ATOM 1469 N ALA A 100 0.967 -3.310 5.721 1.00 0.00 N ATOM 1470 CA ALA A 100 1.235 -3.174 7.151 1.00 0.00 C ATOM 1471 C ALA A 100 2.088 -1.944 7.455 1.00 0.00 C ATOM 1472 O ALA A 100 2.674 -1.341 6.556 1.00 0.00 O ATOM 1473 CB ALA A 100 1.915 -4.426 7.682 1.00 0.00 C ATOM 0 H ALA A 100 1.695 -2.934 5.114 1.00 0.00 H new ATOM 0 HA ALA A 100 0.276 -3.044 7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.109 -4.310 8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.267 -5.288 7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.858 -4.579 7.157 1.00 0.00 H new ATOM 1479 N THR A 101 2.148 -1.582 8.736 1.00 0.00 N ATOM 1480 CA THR A 101 2.929 -0.431 9.180 1.00 0.00 C ATOM 1481 C THR A 101 3.649 -0.739 10.489 1.00 0.00 C ATOM 1482 O THR A 101 3.686 -1.887 10.932 1.00 0.00 O ATOM 1483 CB THR A 101 2.043 0.815 9.379 1.00 0.00 C ATOM 1484 OG1 THR A 101 0.905 0.487 10.183 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.583 1.378 8.042 1.00 0.00 C ATOM 0 H THR A 101 1.662 -2.073 9.487 1.00 0.00 H new ATOM 0 HA THR A 101 3.659 -0.223 8.398 1.00 0.00 H new ATOM 0 HB THR A 101 2.638 1.574 9.886 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.991 0.913 11.061 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.960 2.256 8.212 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.452 1.659 7.447 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.007 0.622 7.508 1.00 0.00 H new ATOM 1493 N ASP A 102 4.222 0.292 11.105 1.00 0.00 N ATOM 1494 CA ASP A 102 4.938 0.127 12.365 1.00 0.00 C ATOM 1495 C ASP A 102 4.424 1.102 13.419 1.00 0.00 C ATOM 1496 O ASP A 102 4.913 1.123 14.549 1.00 0.00 O ATOM 1497 CB ASP A 102 6.440 0.332 12.153 1.00 0.00 C ATOM 1498 CG ASP A 102 7.035 -0.691 11.207 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.048 -0.433 9.984 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.489 -1.751 11.687 1.00 0.00 O ATOM 0 H ASP A 102 4.204 1.249 10.752 1.00 0.00 H new ATOM 0 HA ASP A 102 4.762 -0.888 12.721 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.615 1.333 11.758 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.951 0.274 13.114 1.00 0.00 H new ATOM 1505 N ARG A 103 3.434 1.907 13.045 1.00 0.00 N ATOM 1506 CA ARG A 103 2.855 2.885 13.959 1.00 0.00 C ATOM 1507 C ARG A 103 1.355 3.029 13.726 1.00 0.00 C ATOM 1508 O ARG A 103 0.826 2.571 12.714 1.00 0.00 O ATOM 1509 CB ARG A 103 3.534 4.247 13.791 1.00 0.00 C ATOM 1510 CG ARG A 103 5.040 4.212 13.997 1.00 0.00 C ATOM 1511 CD ARG A 103 5.658 5.589 13.823 1.00 0.00 C ATOM 1512 NE ARG A 103 5.134 6.552 14.788 1.00 0.00 N ATOM 1513 CZ ARG A 103 5.527 7.819 14.854 1.00 0.00 C ATOM 1514 NH1 ARG A 103 6.444 8.278 14.012 1.00 0.00 N ATOM 1515 NH2 ARG A 103 5.003 8.632 15.761 1.00 0.00 N ATOM 0 H ARG A 103 3.016 1.901 12.115 1.00 0.00 H new ATOM 0 HA ARG A 103 3.019 2.527 14.975 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.322 4.627 12.792 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.096 4.951 14.499 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.263 3.835 14.995 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.489 3.518 13.287 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.740 5.517 13.934 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.465 5.948 12.812 1.00 0.00 H new ATOM 0 HE ARG A 103 4.426 6.233 15.449 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.849 7.657 13.311 1.00 0.00 H new ATOM 0 HH12 ARG A 103 6.744 9.252 14.065 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.297 8.285 16.410 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.306 9.605 15.810 1.00 0.00 H new ATOM 1529 N VAL A 104 0.679 3.669 14.673 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.761 3.880 14.581 1.00 0.00 C ATOM 1531 C VAL A 104 -1.093 5.031 13.634 1.00 0.00 C ATOM 1532 O VAL A 104 -2.042 4.950 12.854 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.369 4.177 15.964 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -2.888 4.196 15.890 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -0.890 3.154 16.983 1.00 0.00 C ATOM 0 H VAL A 104 1.107 4.052 15.516 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.192 2.959 14.189 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.035 5.164 16.285 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.298 4.408 16.878 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.209 4.969 15.191 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.248 3.226 15.548 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.328 3.377 17.956 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.195 2.156 16.668 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.197 3.195 17.057 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.308 6.101 13.711 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.522 7.272 12.865 1.00 0.00 C ATOM 1547 C GLU A 105 -0.251 6.947 11.399 1.00 0.00 C ATOM 1548 O GLU A 105 -1.045 7.294 10.527 1.00 0.00 O ATOM 1549 CB GLU A 105 0.374 8.427 13.316 1.00 0.00 C ATOM 1550 CG GLU A 105 0.127 8.864 14.751 1.00 0.00 C ATOM 1551 CD GLU A 105 1.023 10.011 15.173 1.00 0.00 C ATOM 1552 OE1 GLU A 105 2.131 9.742 15.683 1.00 0.00 O ATOM 1553 OE2 GLU A 105 0.618 11.179 14.994 1.00 0.00 O ATOM 0 H GLU A 105 0.482 6.182 14.350 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.566 7.570 12.964 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.417 8.129 13.210 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.217 9.278 12.654 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.915 9.162 14.862 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.289 8.017 15.418 1.00 0.00 H new ATOM 1560 N GLU A 106 0.872 6.286 11.131 1.00 0.00 N ATOM 1561 CA GLU A 106 1.224 5.915 9.764 1.00 0.00 C ATOM 1562 C GLU A 106 0.150 5.012 9.177 1.00 0.00 C ATOM 1563 O GLU A 106 -0.125 5.048 7.978 1.00 0.00 O ATOM 1564 CB GLU A 106 2.578 5.203 9.728 1.00 0.00 C ATOM 1565 CG GLU A 106 3.702 5.991 10.379 1.00 0.00 C ATOM 1566 CD GLU A 106 3.915 7.347 9.735 1.00 0.00 C ATOM 1567 OE1 GLU A 106 4.703 7.428 8.769 1.00 0.00 O ATOM 1568 OE2 GLU A 106 3.295 8.328 10.197 1.00 0.00 O ATOM 0 H GLU A 106 1.549 5.998 11.837 1.00 0.00 H new ATOM 0 HA GLU A 106 1.295 6.825 9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.485 4.239 10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.843 4.999 8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.479 6.127 11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.626 5.416 10.319 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.450 4.198 10.038 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.506 3.284 9.627 1.00 0.00 C ATOM 1577 C LEU A 107 -2.741 4.061 9.197 1.00 0.00 C ATOM 1578 O LEU A 107 -3.230 3.912 8.080 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.867 2.349 10.784 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.860 1.240 10.433 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.121 -0.053 10.145 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.864 1.040 11.557 1.00 0.00 C ATOM 0 H LEU A 107 -0.220 4.154 11.031 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.146 2.695 8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.952 1.891 11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.283 2.945 11.597 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.407 1.537 9.538 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.839 -0.835 9.896 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.441 0.096 9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.551 -0.350 11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.560 0.247 11.286 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.337 0.764 12.470 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.415 1.966 11.722 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.229 4.898 10.101 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.412 5.709 9.850 1.00 0.00 C ATOM 1596 C PHE A 108 -4.185 6.709 8.719 1.00 0.00 C ATOM 1597 O PHE A 108 -5.123 7.089 8.026 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.802 6.452 11.129 1.00 0.00 C ATOM 1599 CG PHE A 108 -5.893 5.775 11.910 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -5.586 4.837 12.882 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -7.224 6.076 11.671 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -6.587 4.212 13.603 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.229 5.454 12.388 1.00 0.00 C ATOM 1604 CZ PHE A 108 -7.910 4.521 13.355 1.00 0.00 C ATOM 0 H PHE A 108 -2.819 5.034 11.025 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.218 5.042 9.544 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.921 6.553 11.763 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -5.125 7.460 10.869 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.553 4.591 13.079 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.479 6.805 10.916 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.334 3.483 14.359 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.263 5.697 12.192 1.00 0.00 H new ATOM 0 HZ PHE A 108 -8.694 4.034 13.916 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.940 7.119 8.526 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.610 8.098 7.493 1.00 0.00 C ATOM 1616 C GLU A 109 -2.591 7.480 6.094 1.00 0.00 C ATOM 1617 O GLU A 109 -3.332 7.905 5.205 1.00 0.00 O ATOM 1618 CB GLU A 109 -1.247 8.725 7.797 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.808 9.764 6.780 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.716 10.978 6.755 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -2.701 10.967 5.986 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -1.442 11.939 7.504 1.00 0.00 O ATOM 0 H GLU A 109 -2.141 6.791 9.069 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.388 8.862 7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.283 9.188 8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.497 7.936 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.210 10.081 7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.787 9.310 5.789 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.754 6.468 5.912 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.613 5.809 4.617 1.00 0.00 C ATOM 1631 C TRP A 110 -2.860 5.029 4.215 1.00 0.00 C ATOM 1632 O TRP A 110 -3.259 5.047 3.051 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.407 4.869 4.637 1.00 0.00 C ATOM 1634 CG TRP A 110 0.861 5.522 4.180 1.00 0.00 C ATOM 1635 CD1 TRP A 110 1.852 6.032 4.967 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.270 5.735 2.826 1.00 0.00 C ATOM 1637 NE1 TRP A 110 2.856 6.550 4.183 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.521 6.379 2.865 1.00 0.00 C ATOM 1639 CE3 TRP A 110 0.701 5.445 1.583 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.210 6.735 1.711 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.386 5.799 0.438 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.630 6.438 0.508 1.00 0.00 C ATOM 0 H TRP A 110 -1.160 6.083 6.646 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.467 6.595 3.876 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.268 4.490 5.649 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.615 4.009 4.000 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.848 6.029 6.047 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.710 6.989 4.526 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.258 4.952 1.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.169 7.229 1.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 0.955 5.579 -0.528 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.142 6.702 -0.406 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.474 4.347 5.171 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.654 3.539 4.884 1.00 0.00 C ATOM 1655 C PHE A 111 -5.908 4.383 4.677 1.00 0.00 C ATOM 1656 O PHE A 111 -6.781 4.007 3.895 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.839 2.485 5.973 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.794 1.413 5.873 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.586 0.755 4.671 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -3.002 1.081 6.956 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.615 -0.213 4.553 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -2.023 0.111 6.842 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.831 -0.537 5.641 1.00 0.00 C ATOM 0 H PHE A 111 -3.178 4.336 6.147 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.490 3.028 3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.786 2.958 6.954 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.830 2.040 5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -4.195 1.006 3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.149 1.584 7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.467 -0.718 3.610 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.409 -0.139 7.694 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.069 -1.297 5.552 1.00 0.00 H new ATOM 1673 N GLN A 112 -6.010 5.516 5.365 1.00 0.00 N ATOM 1674 CA GLN A 112 -7.165 6.388 5.181 1.00 0.00 C ATOM 1675 C GLN A 112 -7.088 7.032 3.802 1.00 0.00 C ATOM 1676 O GLN A 112 -8.108 7.350 3.192 1.00 0.00 O ATOM 1677 CB GLN A 112 -7.220 7.460 6.272 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.545 8.205 6.346 1.00 0.00 C ATOM 1679 CD GLN A 112 -8.704 9.252 5.260 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -9.818 9.548 4.829 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -7.589 9.821 4.814 1.00 0.00 N ATOM 0 H GLN A 112 -5.322 5.847 6.042 1.00 0.00 H new ATOM 0 HA GLN A 112 -8.076 5.794 5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -7.025 6.992 7.237 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.420 8.180 6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.362 7.488 6.272 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.630 8.686 7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -6.686 9.545 5.200 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -7.636 10.534 4.086 1.00 0.00 H new ATOM 1690 N SER A 113 -5.860 7.213 3.316 1.00 0.00 N ATOM 1691 CA SER A 113 -5.634 7.797 1.998 1.00 0.00 C ATOM 1692 C SER A 113 -5.979 6.789 0.906 1.00 0.00 C ATOM 1693 O SER A 113 -6.727 7.103 -0.019 1.00 0.00 O ATOM 1694 CB SER A 113 -4.181 8.251 1.857 1.00 0.00 C ATOM 1695 OG SER A 113 -3.852 9.227 2.829 1.00 0.00 O ATOM 0 H SER A 113 -5.007 6.963 3.817 1.00 0.00 H new ATOM 0 HA SER A 113 -6.282 8.667 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.517 7.393 1.961 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.020 8.659 0.859 1.00 0.00 H new ATOM 0 HG SER A 113 -3.617 8.784 3.671 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.424 5.578 1.012 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.703 4.531 0.034 1.00 0.00 C ATOM 1703 C ILE A 114 -7.208 4.354 -0.109 1.00 0.00 C ATOM 1704 O ILE A 114 -7.725 4.166 -1.211 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.063 3.180 0.430 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.534 3.268 0.368 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.573 2.065 -0.476 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.828 1.977 0.740 1.00 0.00 C ATOM 0 H ILE A 114 -4.786 5.303 1.759 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.265 4.842 -0.915 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.350 2.950 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.237 3.555 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.198 4.060 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.113 1.121 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.656 1.986 -0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.315 2.290 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.749 2.119 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.094 1.698 1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.133 1.185 0.056 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.902 4.419 1.022 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.351 4.295 1.044 1.00 0.00 C ATOM 1722 C ARG A 115 -9.982 5.518 0.394 1.00 0.00 C ATOM 1723 O ARG A 115 -10.937 5.408 -0.369 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.841 4.134 2.484 1.00 0.00 C ATOM 1725 CG ARG A 115 -11.299 4.507 2.691 1.00 0.00 C ATOM 1726 CD ARG A 115 -11.798 4.065 4.057 1.00 0.00 C ATOM 1727 NE ARG A 115 -13.186 4.458 4.287 1.00 0.00 N ATOM 1728 CZ ARG A 115 -13.881 4.115 5.366 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -13.319 3.373 6.312 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -15.138 4.513 5.502 1.00 0.00 N ATOM 0 H ARG A 115 -7.479 4.558 1.940 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.646 3.410 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.695 3.099 2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.224 4.751 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -11.417 5.586 2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.908 4.046 1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -11.709 2.982 4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.165 4.499 4.832 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.648 5.028 3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -12.352 3.065 6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -13.854 3.111 7.140 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -15.573 5.084 4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -15.670 4.249 6.331 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.423 6.684 0.688 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.913 7.934 0.126 1.00 0.00 C ATOM 1746 C GLU A 116 -9.887 7.882 -1.399 1.00 0.00 C ATOM 1747 O GLU A 116 -10.541 8.679 -2.070 1.00 0.00 O ATOM 1748 CB GLU A 116 -9.066 9.103 0.627 1.00 0.00 C ATOM 1749 CG GLU A 116 -9.631 9.766 1.869 1.00 0.00 C ATOM 1750 CD GLU A 116 -11.019 10.335 1.649 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -11.120 11.507 1.229 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -12.005 9.609 1.894 1.00 0.00 O ATOM 0 H GLU A 116 -8.626 6.790 1.316 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.944 8.079 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -8.058 8.747 0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.980 9.846 -0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.665 9.039 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.961 10.565 2.186 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.120 6.937 -1.933 1.00 0.00 N ATOM 1760 CA ILE A 117 -8.988 6.773 -3.375 1.00 0.00 C ATOM 1761 C ILE A 117 -9.752 5.547 -3.882 1.00 0.00 C ATOM 1762 O ILE A 117 -10.089 5.467 -5.063 1.00 0.00 O ATOM 1763 CB ILE A 117 -7.507 6.643 -3.785 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -6.686 7.783 -3.176 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -7.373 6.638 -5.302 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.195 7.648 -3.401 1.00 0.00 C ATOM 0 H ILE A 117 -8.578 6.270 -1.384 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.417 7.666 -3.829 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.122 5.697 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.024 8.729 -3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.880 7.826 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.322 6.546 -5.574 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.930 5.796 -5.714 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.772 7.569 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.680 8.492 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.842 6.719 -2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -4.988 7.636 -4.471 1.00 0.00 H new ATOM 1778 N THR A 118 -10.032 4.596 -2.990 1.00 0.00 N ATOM 1779 CA THR A 118 -10.732 3.376 -3.381 1.00 0.00 C ATOM 1780 C THR A 118 -12.130 3.330 -2.786 1.00 0.00 C ATOM 1781 O THR A 118 -12.833 2.325 -2.895 1.00 0.00 O ATOM 1782 CB THR A 118 -9.959 2.120 -2.937 1.00 0.00 C ATOM 1783 OG1 THR A 118 -9.832 2.103 -1.510 1.00 0.00 O ATOM 1784 CG2 THR A 118 -8.579 2.079 -3.573 1.00 0.00 C ATOM 0 H THR A 118 -9.787 4.647 -2.001 1.00 0.00 H new ATOM 0 HA THR A 118 -10.803 3.388 -4.469 1.00 0.00 H new ATOM 0 HB THR A 118 -10.518 1.243 -3.264 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.066 2.653 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.053 1.183 -3.244 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.679 2.063 -4.658 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.014 2.962 -3.274 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.528 4.429 -2.163 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.836 4.525 -1.535 1.00 0.00 C ATOM 1794 C TRP A 119 -14.515 5.839 -1.900 1.00 0.00 C ATOM 1795 O TRP A 119 -15.258 6.412 -1.103 1.00 0.00 O ATOM 1796 CB TRP A 119 -13.690 4.402 -0.019 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.783 2.992 0.474 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -12.995 1.944 0.101 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.714 2.475 1.431 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -13.378 0.805 0.766 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -14.431 1.106 1.590 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.759 3.038 2.171 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -15.155 0.291 2.457 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.476 2.228 3.032 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -16.171 0.868 3.169 1.00 0.00 C ATOM 0 H TRP A 119 -11.959 5.272 -2.079 1.00 0.00 H new ATOM 0 HA TRP A 119 -14.461 3.710 -1.900 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.730 4.822 0.281 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -14.464 4.999 0.463 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.187 2.001 -0.613 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -12.949 -0.115 0.663 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -16.001 4.086 2.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -14.923 -0.758 2.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -17.285 2.651 3.609 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -16.750 0.262 3.851 1.00 0.00 H new