USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=17 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 29 THR OG1 : rot -5:sc= 0.113 USER MOD Set 1.2: A 31 HIS : no HE2:sc= 0.186 K(o=0.3,f=-4.5!) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.191 K(o=0.38,f=-0.51) USER MOD Set 2.2: A 32 TYR OH : rot 180:sc= 0.194 USER MOD Single : A 14 GLN : amide:sc= -2.48! K(o=-2.5!,f=-1.5) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -106:sc= -0.29 (180deg=-4.04!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.589 K(o=-0.59,f=-1.3!) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -1.24 (180deg=-1.77) USER MOD Single : A 33 CYS SG : rot 180:sc= -0.969 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 24:sc= 0.567 USER MOD Single : A 43 SER OG : rot 150:sc= -1.26 USER MOD Single : A 67 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.92) USER MOD Single : A 68 THR OG1 : rot 56:sc= 0.361 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.655) USER MOD Single : A 79 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.3) USER MOD Single : A 80 GLN : amide:sc= -1.09 K(o=-1.1,f=0) 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 : amide:sc= -0.167 K(o=-0.17,f=-1.8) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 117:sc= -0.0578 USER MOD Single : A 112 GLN : amide:sc= -3.25 K(o=-3.2,f=-7.8!) USER MOD Single : A 113 SER OG : rot 120:sc= 0 USER MOD Single : A 118 THR OG1 : rot -79:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 112 N GLN A 14 0.347 11.930 -0.884 1.00 0.00 N ATOM 113 CA GLN A 14 1.043 11.016 0.013 1.00 0.00 C ATOM 114 C GLN A 14 2.258 10.394 -0.667 1.00 0.00 C ATOM 115 O GLN A 14 2.227 10.084 -1.857 1.00 0.00 O ATOM 116 CB GLN A 14 0.094 9.913 0.486 1.00 0.00 C ATOM 117 CG GLN A 14 -0.939 10.385 1.496 1.00 0.00 C ATOM 118 CD GLN A 14 -0.311 11.060 2.699 1.00 0.00 C ATOM 119 OE1 GLN A 14 -0.118 12.276 2.714 1.00 0.00 O ATOM 120 NE2 GLN A 14 0.013 10.271 3.717 1.00 0.00 N ATOM 0 HA GLN A 14 1.387 11.590 0.873 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.421 9.494 -0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.680 9.107 0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.625 11.080 1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.531 9.533 1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.165 9.268 3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.440 10.668 4.554 1.00 0.00 H new ATOM 129 N GLN A 15 3.329 10.218 0.101 1.00 0.00 N ATOM 130 CA GLN A 15 4.557 9.625 -0.415 1.00 0.00 C ATOM 131 C GLN A 15 5.516 9.298 0.723 1.00 0.00 C ATOM 132 O GLN A 15 5.685 10.084 1.656 1.00 0.00 O ATOM 133 CB GLN A 15 5.233 10.565 -1.413 1.00 0.00 C ATOM 134 CG GLN A 15 6.557 10.042 -1.947 1.00 0.00 C ATOM 135 CD GLN A 15 7.147 10.937 -3.020 1.00 0.00 C ATOM 136 OE1 GLN A 15 6.421 11.598 -3.762 1.00 0.00 O ATOM 137 NE2 GLN A 15 8.472 10.960 -3.108 1.00 0.00 N ATOM 0 H GLN A 15 3.370 10.479 1.086 1.00 0.00 H new ATOM 0 HA GLN A 15 4.294 8.700 -0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.557 10.738 -2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.401 11.530 -0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.266 9.951 -1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.411 9.041 -2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.035 10.396 -2.472 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.926 11.542 -3.812 1.00 0.00 H new ATOM 146 N GLY A 16 6.140 8.130 0.636 1.00 0.00 N ATOM 147 CA GLY A 16 7.072 7.705 1.664 1.00 0.00 C ATOM 148 C GLY A 16 7.447 6.241 1.538 1.00 0.00 C ATOM 149 O GLY A 16 7.766 5.768 0.446 1.00 0.00 O ATOM 0 H GLY A 16 6.017 7.468 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.974 8.314 1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.631 7.881 2.645 1.00 0.00 H new ATOM 153 N GLU A 17 7.405 5.522 2.655 1.00 0.00 N ATOM 154 CA GLU A 17 7.745 4.105 2.665 1.00 0.00 C ATOM 155 C GLU A 17 6.666 3.285 3.366 1.00 0.00 C ATOM 156 O GLU A 17 6.162 3.675 4.420 1.00 0.00 O ATOM 157 CB GLU A 17 9.094 3.889 3.354 1.00 0.00 C ATOM 158 CG GLU A 17 10.238 4.650 2.704 1.00 0.00 C ATOM 159 CD GLU A 17 11.565 4.410 3.394 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.879 5.148 4.352 1.00 0.00 O ATOM 161 OE2 GLU A 17 12.293 3.485 2.976 1.00 0.00 O ATOM 0 H GLU A 17 7.139 5.898 3.565 1.00 0.00 H new ATOM 0 HA GLU A 17 7.812 3.768 1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.013 4.194 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.328 2.824 3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.318 4.354 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.014 5.717 2.717 1.00 0.00 H new ATOM 168 N LEU A 18 6.317 2.148 2.773 1.00 0.00 N ATOM 169 CA LEU A 18 5.300 1.266 3.337 1.00 0.00 C ATOM 170 C LEU A 18 5.726 -0.193 3.227 1.00 0.00 C ATOM 171 O LEU A 18 6.666 -0.522 2.504 1.00 0.00 O ATOM 172 CB LEU A 18 3.961 1.475 2.627 1.00 0.00 C ATOM 173 CG LEU A 18 2.846 2.062 3.496 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.588 2.281 2.670 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.553 1.152 4.680 1.00 0.00 C ATOM 0 H LEU A 18 6.725 1.815 1.899 1.00 0.00 H new ATOM 0 HA LEU A 18 5.184 1.514 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.120 2.134 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.625 0.517 2.231 1.00 0.00 H new ATOM 0 HG LEU A 18 3.181 3.026 3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.805 2.699 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.803 2.972 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.252 1.329 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.758 1.587 5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.239 0.173 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.452 1.043 5.286 1.00 0.00 H new ATOM 187 N TYR A 19 5.028 -1.067 3.947 1.00 0.00 N ATOM 188 CA TYR A 19 5.335 -2.490 3.928 1.00 0.00 C ATOM 189 C TYR A 19 4.236 -3.272 3.218 1.00 0.00 C ATOM 190 O TYR A 19 3.050 -2.978 3.371 1.00 0.00 O ATOM 191 CB TYR A 19 5.513 -3.012 5.354 1.00 0.00 C ATOM 192 CG TYR A 19 6.563 -2.267 6.144 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.245 -1.104 6.833 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.872 -2.727 6.202 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.201 -0.419 7.558 1.00 0.00 C ATOM 196 CE2 TYR A 19 8.835 -2.048 6.925 1.00 0.00 C ATOM 197 CZ TYR A 19 8.495 -0.895 7.601 1.00 0.00 C ATOM 198 OH TYR A 19 9.450 -0.216 8.321 1.00 0.00 O ATOM 0 H TYR A 19 4.246 -0.812 4.550 1.00 0.00 H new ATOM 0 HA TYR A 19 6.267 -2.630 3.380 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.560 -2.944 5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.781 -4.068 5.315 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.233 -0.728 6.802 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.142 -3.630 5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.937 0.484 8.088 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.849 -2.419 6.960 1.00 0.00 H new ATOM 0 HH TYR A 19 10.308 -0.684 8.249 1.00 0.00 H new ATOM 208 N MET A 20 4.641 -4.270 2.443 1.00 0.00 N ATOM 209 CA MET A 20 3.700 -5.101 1.703 1.00 0.00 C ATOM 210 C MET A 20 4.105 -6.569 1.777 1.00 0.00 C ATOM 211 O MET A 20 5.282 -6.906 1.645 1.00 0.00 O ATOM 212 CB MET A 20 3.628 -4.645 0.245 1.00 0.00 C ATOM 213 CG MET A 20 2.855 -3.349 0.051 1.00 0.00 C ATOM 214 SD MET A 20 3.077 -2.650 -1.596 1.00 0.00 S ATOM 215 CE MET A 20 2.443 -3.979 -2.615 1.00 0.00 C ATOM 0 H MET A 20 5.620 -4.524 2.310 1.00 0.00 H new ATOM 0 HA MET A 20 2.714 -4.993 2.156 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.641 -4.515 -0.137 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.161 -5.430 -0.350 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.795 -3.533 0.224 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.178 -2.622 0.797 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.273 -4.493 -3.101 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.894 -4.685 -1.992 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.776 -3.569 -3.374 1.00 0.00 H new ATOM 225 N TRP A 21 3.122 -7.437 1.990 1.00 0.00 N ATOM 226 CA TRP A 21 3.371 -8.870 2.090 1.00 0.00 C ATOM 227 C TRP A 21 4.080 -9.401 0.848 1.00 0.00 C ATOM 228 O TRP A 21 3.582 -9.270 -0.270 1.00 0.00 O ATOM 229 CB TRP A 21 2.056 -9.623 2.305 1.00 0.00 C ATOM 230 CG TRP A 21 2.193 -11.112 2.197 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.516 -11.936 1.343 1.00 0.00 C ATOM 232 CD2 TRP A 21 3.063 -11.953 2.962 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.908 -13.238 1.535 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.857 -13.275 2.522 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.995 -11.720 3.977 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.548 -14.355 3.061 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.681 -12.796 4.511 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.454 -14.098 4.052 1.00 0.00 C ATOM 0 H TRP A 21 2.143 -7.172 2.097 1.00 0.00 H new ATOM 0 HA TRP A 21 4.024 -9.035 2.947 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.661 -9.373 3.290 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.326 -9.279 1.572 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.780 -11.611 0.622 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.551 -14.046 1.025 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.176 -10.718 4.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.375 -15.361 2.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.404 -12.628 5.296 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.006 -14.917 4.490 1.00 0.00 H new ATOM 249 N ASP A 22 5.247 -10.001 1.060 1.00 0.00 N ATOM 250 CA ASP A 22 6.029 -10.567 -0.032 1.00 0.00 C ATOM 251 C ASP A 22 5.922 -12.088 -0.029 1.00 0.00 C ATOM 252 O ASP A 22 6.566 -12.759 0.775 1.00 0.00 O ATOM 253 CB ASP A 22 7.496 -10.147 0.091 1.00 0.00 C ATOM 254 CG ASP A 22 7.689 -8.655 -0.104 1.00 0.00 C ATOM 255 OD1 ASP A 22 7.819 -8.222 -1.269 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.712 -7.922 0.906 1.00 0.00 O ATOM 0 H ASP A 22 5.672 -10.108 1.981 1.00 0.00 H new ATOM 0 HA ASP A 22 5.631 -10.188 -0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.872 -10.434 1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.089 -10.687 -0.647 1.00 0.00 H new ATOM 261 N SER A 23 5.100 -12.623 -0.927 1.00 0.00 N ATOM 262 CA SER A 23 4.906 -14.067 -1.020 1.00 0.00 C ATOM 263 C SER A 23 6.089 -14.742 -1.704 1.00 0.00 C ATOM 264 O SER A 23 6.135 -15.967 -1.815 1.00 0.00 O ATOM 265 CB SER A 23 3.614 -14.383 -1.778 1.00 0.00 C ATOM 266 OG SER A 23 3.588 -13.731 -3.036 1.00 0.00 O ATOM 0 H SER A 23 4.558 -12.080 -1.599 1.00 0.00 H new ATOM 0 HA SER A 23 4.831 -14.459 -0.006 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.527 -15.460 -1.921 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.755 -14.070 -1.185 1.00 0.00 H new ATOM 0 HG SER A 23 2.754 -13.950 -3.501 1.00 0.00 H new ATOM 272 N ILE A 24 7.045 -13.939 -2.161 1.00 0.00 N ATOM 273 CA ILE A 24 8.229 -14.469 -2.826 1.00 0.00 C ATOM 274 C ILE A 24 9.153 -15.130 -1.812 1.00 0.00 C ATOM 275 O ILE A 24 9.581 -16.271 -1.993 1.00 0.00 O ATOM 276 CB ILE A 24 9.002 -13.364 -3.574 1.00 0.00 C ATOM 277 CG1 ILE A 24 8.085 -12.653 -4.575 1.00 0.00 C ATOM 278 CG2 ILE A 24 10.218 -13.946 -4.279 1.00 0.00 C ATOM 279 CD1 ILE A 24 7.516 -13.564 -5.642 1.00 0.00 C ATOM 0 H ILE A 24 7.023 -12.922 -2.083 1.00 0.00 H new ATOM 0 HA ILE A 24 7.891 -15.207 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 24 9.349 -12.631 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.262 -12.188 -4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.643 -11.850 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.751 -13.151 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.880 -14.404 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.896 -14.700 -4.997 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.878 -12.987 -6.311 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.331 -14.010 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.929 -14.353 -5.172 1.00 0.00 H new ATOM 291 N ASP A 25 9.455 -14.400 -0.746 1.00 0.00 N ATOM 292 CA ASP A 25 10.315 -14.904 0.316 1.00 0.00 C ATOM 293 C ASP A 25 9.516 -15.070 1.601 1.00 0.00 C ATOM 294 O ASP A 25 10.051 -15.476 2.633 1.00 0.00 O ATOM 295 CB ASP A 25 11.487 -13.952 0.550 1.00 0.00 C ATOM 296 CG ASP A 25 12.461 -13.936 -0.612 1.00 0.00 C ATOM 297 OD1 ASP A 25 13.403 -14.755 -0.607 1.00 0.00 O ATOM 298 OD2 ASP A 25 12.281 -13.105 -1.528 1.00 0.00 O ATOM 0 H ASP A 25 9.114 -13.451 -0.594 1.00 0.00 H new ATOM 0 HA ASP A 25 10.708 -15.875 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.105 -12.944 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.014 -14.245 1.458 1.00 0.00 H new ATOM 303 N GLN A 26 8.227 -14.751 1.523 1.00 0.00 N ATOM 304 CA GLN A 26 7.336 -14.848 2.669 1.00 0.00 C ATOM 305 C GLN A 26 7.888 -14.062 3.850 1.00 0.00 C ATOM 306 O GLN A 26 8.369 -14.636 4.828 1.00 0.00 O ATOM 307 CB GLN A 26 7.105 -16.308 3.048 1.00 0.00 C ATOM 308 CG GLN A 26 6.207 -17.036 2.064 1.00 0.00 C ATOM 309 CD GLN A 26 4.884 -17.456 2.673 1.00 0.00 C ATOM 310 OE1 GLN A 26 4.799 -17.740 3.869 1.00 0.00 O ATOM 311 NE2 GLN A 26 3.842 -17.493 1.851 1.00 0.00 N ATOM 0 H GLN A 26 7.776 -14.421 0.670 1.00 0.00 H new ATOM 0 HA GLN A 26 6.376 -14.412 2.393 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.065 -16.820 3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.660 -16.355 4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.018 -16.391 1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.726 -17.919 1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.959 -17.249 0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.924 -17.765 2.203 1.00 0.00 H new ATOM 320 N LYS A 27 7.819 -12.738 3.743 1.00 0.00 N ATOM 321 CA LYS A 27 8.313 -11.856 4.795 1.00 0.00 C ATOM 322 C LYS A 27 7.930 -10.405 4.512 1.00 0.00 C ATOM 323 O LYS A 27 7.342 -10.100 3.474 1.00 0.00 O ATOM 324 CB LYS A 27 9.835 -11.978 4.912 1.00 0.00 C ATOM 325 CG LYS A 27 10.593 -11.326 3.765 1.00 0.00 C ATOM 326 CD LYS A 27 12.089 -11.575 3.875 1.00 0.00 C ATOM 327 CE LYS A 27 12.869 -10.728 2.883 1.00 0.00 C ATOM 328 NZ LYS A 27 12.423 -10.958 1.482 1.00 0.00 N ATOM 0 H LYS A 27 7.425 -12.252 2.937 1.00 0.00 H new ATOM 0 HA LYS A 27 7.854 -12.158 5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.155 -11.526 5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.103 -13.033 4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.226 -11.717 2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.401 -10.253 3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.423 -11.351 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.297 -12.630 3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.749 -9.674 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.931 -10.957 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.714 -10.155 0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.855 -11.831 1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.387 -11.049 1.458 1.00 0.00 H new ATOM 342 N TRP A 28 8.265 -9.517 5.444 1.00 0.00 N ATOM 343 CA TRP A 28 7.962 -8.098 5.292 1.00 0.00 C ATOM 344 C TRP A 28 9.224 -7.303 4.973 1.00 0.00 C ATOM 345 O TRP A 28 10.149 -7.238 5.783 1.00 0.00 O ATOM 346 CB TRP A 28 7.314 -7.547 6.565 1.00 0.00 C ATOM 347 CG TRP A 28 5.903 -8.008 6.767 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.485 -9.062 7.528 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.722 -7.427 6.200 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.117 -9.171 7.472 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.626 -8.181 6.661 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.484 -6.343 5.349 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.315 -7.886 6.299 1.00 0.00 C ATOM 354 CZ3 TRP A 28 3.180 -6.053 4.992 1.00 0.00 C ATOM 355 CH2 TRP A 28 2.111 -6.822 5.467 1.00 0.00 C ATOM 0 H TRP A 28 8.746 -9.755 6.311 1.00 0.00 H new ATOM 0 HA TRP A 28 7.263 -7.993 4.462 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.912 -7.846 7.426 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.330 -6.458 6.529 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.135 -9.715 8.092 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.558 -9.874 7.955 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.303 -5.744 4.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.488 -8.478 6.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.983 -5.219 4.335 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.104 -6.569 5.169 1.00 0.00 H new ATOM 366 N THR A 29 9.255 -6.700 3.789 1.00 0.00 N ATOM 367 CA THR A 29 10.403 -5.907 3.365 1.00 0.00 C ATOM 368 C THR A 29 10.052 -4.424 3.317 1.00 0.00 C ATOM 369 O THR A 29 8.883 -4.050 3.423 1.00 0.00 O ATOM 370 CB THR A 29 10.913 -6.347 1.980 1.00 0.00 C ATOM 371 OG1 THR A 29 9.970 -5.974 0.969 1.00 0.00 O ATOM 372 CG2 THR A 29 11.134 -7.850 1.935 1.00 0.00 C ATOM 0 H THR A 29 8.498 -6.745 3.106 1.00 0.00 H new ATOM 0 HA THR A 29 11.191 -6.071 4.100 1.00 0.00 H new ATOM 0 HB THR A 29 11.864 -5.848 1.796 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.174 -5.587 1.391 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.494 -8.135 0.947 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.873 -8.132 2.686 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.194 -8.362 2.141 1.00 0.00 H new ATOM 380 N ARG A 30 11.069 -3.582 3.160 1.00 0.00 N ATOM 381 CA ARG A 30 10.864 -2.140 3.099 1.00 0.00 C ATOM 382 C ARG A 30 10.648 -1.682 1.660 1.00 0.00 C ATOM 383 O ARG A 30 11.467 -1.957 0.782 1.00 0.00 O ATOM 384 CB ARG A 30 12.062 -1.409 3.708 1.00 0.00 C ATOM 385 CG ARG A 30 11.889 0.100 3.771 1.00 0.00 C ATOM 386 CD ARG A 30 13.067 0.767 4.461 1.00 0.00 C ATOM 387 NE ARG A 30 13.246 0.284 5.827 1.00 0.00 N ATOM 388 CZ ARG A 30 14.074 0.841 6.707 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.794 1.901 6.364 1.00 0.00 N ATOM 390 NH2 ARG A 30 14.180 0.340 7.929 1.00 0.00 N ATOM 0 H ARG A 30 12.042 -3.874 3.073 1.00 0.00 H new ATOM 0 HA ARG A 30 9.970 -1.899 3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.234 -1.789 4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.953 -1.640 3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.784 0.498 2.762 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.970 0.340 4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.976 0.580 3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.915 1.846 4.475 1.00 0.00 H new ATOM 0 HE ARG A 30 12.705 -0.528 6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.713 2.290 5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.428 2.327 7.040 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.626 -0.474 8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.815 0.768 8.602 1.00 0.00 H new ATOM 404 N HIS A 31 9.542 -0.983 1.424 1.00 0.00 N ATOM 405 CA HIS A 31 9.217 -0.489 0.089 1.00 0.00 C ATOM 406 C HIS A 31 9.045 1.027 0.093 1.00 0.00 C ATOM 407 O HIS A 31 8.714 1.621 1.118 1.00 0.00 O ATOM 408 CB HIS A 31 7.929 -1.138 -0.425 1.00 0.00 C ATOM 409 CG HIS A 31 7.929 -2.632 -0.360 1.00 0.00 C ATOM 410 ND1 HIS A 31 8.219 -3.433 -1.443 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.651 -3.474 0.664 1.00 0.00 C ATOM 412 CE1 HIS A 31 8.120 -4.703 -1.089 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.776 -4.754 0.184 1.00 0.00 N ATOM 0 H HIS A 31 8.855 -0.746 2.140 1.00 0.00 H new ATOM 0 HA HIS A 31 10.045 -0.751 -0.569 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.088 -0.760 0.156 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.767 -0.830 -1.458 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.471 -3.098 -2.373 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.381 -3.191 1.671 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.291 -5.554 -1.732 1.00 0.00 H new ATOM 422 N TYR A 32 9.274 1.644 -1.062 1.00 0.00 N ATOM 423 CA TYR A 32 9.124 3.087 -1.202 1.00 0.00 C ATOM 424 C TYR A 32 7.873 3.396 -2.016 1.00 0.00 C ATOM 425 O TYR A 32 7.888 3.329 -3.246 1.00 0.00 O ATOM 426 CB TYR A 32 10.357 3.695 -1.875 1.00 0.00 C ATOM 427 CG TYR A 32 10.426 5.202 -1.766 1.00 0.00 C ATOM 428 CD1 TYR A 32 9.792 6.017 -2.694 1.00 0.00 C ATOM 429 CD2 TYR A 32 11.128 5.809 -0.732 1.00 0.00 C ATOM 430 CE1 TYR A 32 9.854 7.394 -2.596 1.00 0.00 C ATOM 431 CE2 TYR A 32 11.195 7.185 -0.626 1.00 0.00 C ATOM 432 CZ TYR A 32 10.556 7.973 -1.561 1.00 0.00 C ATOM 433 OH TYR A 32 10.621 9.344 -1.458 1.00 0.00 O ATOM 0 H TYR A 32 9.564 1.166 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 32 9.025 3.528 -0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.253 3.265 -1.428 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.361 3.415 -2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.241 5.567 -3.507 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.630 5.195 0.001 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.355 8.013 -3.327 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.744 7.641 0.184 1.00 0.00 H new ATOM 0 HH TYR A 32 11.153 9.588 -0.672 1.00 0.00 H new ATOM 443 N CYS A 33 6.791 3.729 -1.323 1.00 0.00 N ATOM 444 CA CYS A 33 5.522 4.022 -1.980 1.00 0.00 C ATOM 445 C CYS A 33 5.366 5.508 -2.280 1.00 0.00 C ATOM 446 O CYS A 33 6.109 6.345 -1.765 1.00 0.00 O ATOM 447 CB CYS A 33 4.358 3.543 -1.114 1.00 0.00 C ATOM 448 SG CYS A 33 4.325 1.756 -0.844 1.00 0.00 S ATOM 0 H CYS A 33 6.766 3.803 -0.306 1.00 0.00 H new ATOM 0 HA CYS A 33 5.515 3.488 -2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.408 4.045 -0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.422 3.846 -1.583 1.00 0.00 H new ATOM 0 HG CYS A 33 3.306 1.449 -0.098 1.00 0.00 H new ATOM 454 N ALA A 34 4.384 5.821 -3.122 1.00 0.00 N ATOM 455 CA ALA A 34 4.094 7.195 -3.511 1.00 0.00 C ATOM 456 C ALA A 34 2.802 7.254 -4.317 1.00 0.00 C ATOM 457 O ALA A 34 2.694 6.640 -5.378 1.00 0.00 O ATOM 458 CB ALA A 34 5.249 7.781 -4.310 1.00 0.00 C ATOM 0 H ALA A 34 3.769 5.130 -3.552 1.00 0.00 H new ATOM 0 HA ALA A 34 3.967 7.791 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.013 8.807 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.154 7.770 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.408 7.186 -5.209 1.00 0.00 H new ATOM 464 N ILE A 35 1.823 7.996 -3.810 1.00 0.00 N ATOM 465 CA ILE A 35 0.534 8.118 -4.481 1.00 0.00 C ATOM 466 C ILE A 35 0.528 9.268 -5.484 1.00 0.00 C ATOM 467 O ILE A 35 0.630 10.436 -5.112 1.00 0.00 O ATOM 468 CB ILE A 35 -0.609 8.319 -3.465 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.711 7.101 -2.542 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.929 8.558 -4.187 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.735 7.256 -1.439 1.00 0.00 C ATOM 0 H ILE A 35 1.897 8.521 -2.939 1.00 0.00 H new ATOM 0 HA ILE A 35 0.372 7.184 -5.019 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.389 9.198 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.963 6.224 -3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.265 6.912 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.724 8.698 -3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.847 9.450 -4.809 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.161 7.698 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.750 6.354 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.473 8.112 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.721 7.413 -1.877 1.00 0.00 H new ATOM 483 N ALA A 36 0.406 8.915 -6.761 1.00 0.00 N ATOM 484 CA ALA A 36 0.376 9.896 -7.838 1.00 0.00 C ATOM 485 C ALA A 36 -0.770 9.606 -8.802 1.00 0.00 C ATOM 486 O ALA A 36 -0.936 8.473 -9.258 1.00 0.00 O ATOM 487 CB ALA A 36 1.702 9.896 -8.582 1.00 0.00 C ATOM 0 H ALA A 36 0.326 7.948 -7.075 1.00 0.00 H new ATOM 0 HA ALA A 36 0.215 10.882 -7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.669 10.633 -9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.507 10.148 -7.891 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.882 8.907 -9.004 1.00 0.00 H new ATOM 493 N ASP A 37 -1.559 10.632 -9.106 1.00 0.00 N ATOM 494 CA ASP A 37 -2.689 10.490 -10.022 1.00 0.00 C ATOM 495 C ASP A 37 -3.690 9.456 -9.509 1.00 0.00 C ATOM 496 O ASP A 37 -4.146 8.594 -10.263 1.00 0.00 O ATOM 497 CB ASP A 37 -2.196 10.097 -11.416 1.00 0.00 C ATOM 498 CG ASP A 37 -1.253 11.125 -12.008 1.00 0.00 C ATOM 499 OD1 ASP A 37 -0.029 11.004 -11.788 1.00 0.00 O ATOM 500 OD2 ASP A 37 -1.737 12.051 -12.692 1.00 0.00 O ATOM 0 H ASP A 37 -1.437 11.573 -8.731 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.196 11.453 -10.081 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.690 9.133 -11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.052 9.970 -12.078 1.00 0.00 H new ATOM 505 N ALA A 38 -4.027 9.550 -8.226 1.00 0.00 N ATOM 506 CA ALA A 38 -4.980 8.631 -7.607 1.00 0.00 C ATOM 507 C ALA A 38 -4.488 7.189 -7.664 1.00 0.00 C ATOM 508 O ALA A 38 -5.257 6.255 -7.433 1.00 0.00 O ATOM 509 CB ALA A 38 -6.342 8.748 -8.275 1.00 0.00 C ATOM 0 H ALA A 38 -3.653 10.256 -7.592 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.073 8.911 -6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.040 8.057 -7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.713 9.767 -8.169 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.250 8.504 -9.333 1.00 0.00 H new ATOM 515 N LYS A 39 -3.209 7.009 -7.973 1.00 0.00 N ATOM 516 CA LYS A 39 -2.625 5.675 -8.055 1.00 0.00 C ATOM 517 C LYS A 39 -1.482 5.505 -7.063 1.00 0.00 C ATOM 518 O LYS A 39 -0.742 6.445 -6.787 1.00 0.00 O ATOM 519 CB LYS A 39 -2.122 5.407 -9.472 1.00 0.00 C ATOM 520 CG LYS A 39 -3.234 5.044 -10.440 1.00 0.00 C ATOM 521 CD LYS A 39 -2.692 4.663 -11.804 1.00 0.00 C ATOM 522 CE LYS A 39 -3.795 4.637 -12.847 1.00 0.00 C ATOM 523 NZ LYS A 39 -3.278 4.278 -14.196 1.00 0.00 N ATOM 0 H LYS A 39 -2.557 7.768 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.404 4.956 -7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.602 6.292 -9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.393 4.597 -9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.813 4.214 -10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.916 5.888 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.922 5.374 -12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.217 3.683 -11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.559 3.919 -12.549 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.275 5.614 -12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.063 4.272 -14.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.567 4.977 -14.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.842 3.334 -14.161 1.00 0.00 H new ATOM 537 N LEU A 40 -1.347 4.297 -6.529 1.00 0.00 N ATOM 538 CA LEU A 40 -0.286 3.999 -5.576 1.00 0.00 C ATOM 539 C LEU A 40 0.772 3.116 -6.228 1.00 0.00 C ATOM 540 O LEU A 40 0.494 1.983 -6.616 1.00 0.00 O ATOM 541 CB LEU A 40 -0.862 3.307 -4.338 1.00 0.00 C ATOM 542 CG LEU A 40 0.172 2.655 -3.416 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.094 3.707 -2.819 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.519 1.863 -2.317 1.00 0.00 C ATOM 0 H LEU A 40 -1.959 3.509 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 40 0.179 4.935 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.428 4.039 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.568 2.543 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 40 0.776 1.967 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.822 3.225 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.616 4.231 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.506 4.421 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.231 1.406 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.148 2.531 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.136 1.084 -2.763 1.00 0.00 H new ATOM 556 N SER A 41 1.990 3.635 -6.336 1.00 0.00 N ATOM 557 CA SER A 41 3.079 2.890 -6.953 1.00 0.00 C ATOM 558 C SER A 41 4.148 2.526 -5.930 1.00 0.00 C ATOM 559 O SER A 41 4.744 3.400 -5.300 1.00 0.00 O ATOM 560 CB SER A 41 3.700 3.706 -8.089 1.00 0.00 C ATOM 561 OG SER A 41 4.320 4.881 -7.596 1.00 0.00 O ATOM 0 H SER A 41 2.247 4.565 -6.005 1.00 0.00 H new ATOM 0 HA SER A 41 2.666 1.966 -7.358 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.435 3.098 -8.617 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.929 3.974 -8.811 1.00 0.00 H new ATOM 0 HG SER A 41 4.554 4.756 -6.653 1.00 0.00 H new ATOM 567 N PHE A 42 4.386 1.228 -5.771 1.00 0.00 N ATOM 568 CA PHE A 42 5.389 0.743 -4.830 1.00 0.00 C ATOM 569 C PHE A 42 6.626 0.251 -5.574 1.00 0.00 C ATOM 570 O PHE A 42 6.522 -0.520 -6.528 1.00 0.00 O ATOM 571 CB PHE A 42 4.812 -0.376 -3.958 1.00 0.00 C ATOM 572 CG PHE A 42 4.308 -1.558 -4.737 1.00 0.00 C ATOM 573 CD1 PHE A 42 3.045 -1.543 -5.308 1.00 0.00 C ATOM 574 CD2 PHE A 42 5.097 -2.686 -4.897 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.579 -2.630 -6.023 1.00 0.00 C ATOM 576 CE2 PHE A 42 4.637 -3.776 -5.610 1.00 0.00 C ATOM 577 CZ PHE A 42 3.376 -3.748 -6.175 1.00 0.00 C ATOM 0 H PHE A 42 3.897 0.493 -6.282 1.00 0.00 H new ATOM 0 HA PHE A 42 5.680 1.570 -4.183 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.580 -0.713 -3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.995 0.028 -3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.418 -0.671 -5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.084 -2.713 -4.459 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.593 -2.605 -6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.262 -4.649 -5.726 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.015 -4.598 -6.734 1.00 0.00 H new ATOM 587 N SER A 43 7.796 0.705 -5.135 1.00 0.00 N ATOM 588 CA SER A 43 9.052 0.317 -5.767 1.00 0.00 C ATOM 589 C SER A 43 9.599 -0.972 -5.160 1.00 0.00 C ATOM 590 O SER A 43 9.196 -1.379 -4.070 1.00 0.00 O ATOM 591 CB SER A 43 10.085 1.435 -5.621 1.00 0.00 C ATOM 592 OG SER A 43 10.388 1.676 -4.258 1.00 0.00 O ATOM 0 H SER A 43 7.900 1.341 -4.345 1.00 0.00 H new ATOM 0 HA SER A 43 8.855 0.143 -6.825 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.995 1.165 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.704 2.348 -6.079 1.00 0.00 H new ATOM 0 HG SER A 43 11.312 1.993 -4.179 1.00 0.00 H new ATOM 598 N ASP A 44 10.519 -1.608 -5.880 1.00 0.00 N ATOM 599 CA ASP A 44 11.131 -2.849 -5.419 1.00 0.00 C ATOM 600 C ASP A 44 12.007 -2.596 -4.196 1.00 0.00 C ATOM 601 O ASP A 44 12.328 -1.449 -3.883 1.00 0.00 O ATOM 602 CB ASP A 44 11.964 -3.475 -6.542 1.00 0.00 C ATOM 603 CG ASP A 44 12.545 -4.821 -6.154 1.00 0.00 C ATOM 604 OD1 ASP A 44 11.849 -5.842 -6.333 1.00 0.00 O ATOM 605 OD2 ASP A 44 13.698 -4.853 -5.673 1.00 0.00 O ATOM 0 H ASP A 44 10.857 -1.283 -6.786 1.00 0.00 H new ATOM 0 HA ASP A 44 10.337 -3.541 -5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.341 -3.594 -7.429 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.774 -2.797 -6.810 1.00 0.00 H new ATOM 610 N ASP A 45 12.381 -3.672 -3.505 1.00 0.00 N ATOM 611 CA ASP A 45 13.222 -3.572 -2.314 1.00 0.00 C ATOM 612 C ASP A 45 14.356 -2.572 -2.523 1.00 0.00 C ATOM 613 O ASP A 45 15.032 -2.592 -3.552 1.00 0.00 O ATOM 614 CB ASP A 45 13.800 -4.944 -1.962 1.00 0.00 C ATOM 615 CG ASP A 45 12.729 -6.008 -1.834 1.00 0.00 C ATOM 616 OD1 ASP A 45 12.338 -6.584 -2.870 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.281 -6.265 -0.697 1.00 0.00 O ATOM 0 H ASP A 45 12.114 -4.625 -3.751 1.00 0.00 H new ATOM 0 HA ASP A 45 12.600 -3.219 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.514 -5.242 -2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.351 -4.873 -1.024 1.00 0.00 H new ATOM 622 N ILE A 46 14.557 -1.698 -1.541 1.00 0.00 N ATOM 623 CA ILE A 46 15.607 -0.690 -1.619 1.00 0.00 C ATOM 624 C ILE A 46 16.849 -1.124 -0.844 1.00 0.00 C ATOM 625 O ILE A 46 17.976 -0.833 -1.245 1.00 0.00 O ATOM 626 CB ILE A 46 15.123 0.670 -1.075 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.657 0.531 0.377 1.00 0.00 C ATOM 628 CG2 ILE A 46 14.003 1.217 -1.950 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.287 1.846 1.026 1.00 0.00 C ATOM 0 H ILE A 46 14.006 -1.668 -0.683 1.00 0.00 H new ATOM 0 HA ILE A 46 15.862 -0.581 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 46 15.956 1.373 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.795 -0.135 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.448 0.059 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.670 2.177 -1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.369 1.350 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.168 0.516 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.967 1.668 2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.153 2.508 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.474 2.311 0.468 1.00 0.00 H new ATOM 641 N GLU A 47 16.633 -1.821 0.267 1.00 0.00 N ATOM 642 CA GLU A 47 17.734 -2.297 1.097 1.00 0.00 C ATOM 643 C GLU A 47 17.586 -3.785 1.400 1.00 0.00 C ATOM 644 O GLU A 47 18.572 -4.479 1.649 1.00 0.00 O ATOM 645 CB GLU A 47 17.795 -1.502 2.403 1.00 0.00 C ATOM 646 CG GLU A 47 16.516 -1.576 3.222 1.00 0.00 C ATOM 647 CD GLU A 47 16.607 -0.791 4.516 1.00 0.00 C ATOM 648 OE1 GLU A 47 16.276 0.413 4.503 1.00 0.00 O ATOM 649 OE2 GLU A 47 17.007 -1.380 5.541 1.00 0.00 O ATOM 0 H GLU A 47 15.706 -2.069 0.613 1.00 0.00 H new ATOM 0 HA GLU A 47 18.662 -2.149 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.624 -1.873 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.009 -0.458 2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.686 -1.195 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.294 -2.619 3.449 1.00 0.00 H new ATOM 841 N ARG A 61 7.611 -0.952 -9.063 1.00 0.00 N ATOM 842 CA ARG A 61 7.440 -2.398 -9.154 1.00 0.00 C ATOM 843 C ARG A 61 5.990 -2.745 -9.473 1.00 0.00 C ATOM 844 O ARG A 61 5.706 -3.769 -10.094 1.00 0.00 O ATOM 845 CB ARG A 61 7.861 -3.063 -7.841 1.00 0.00 C ATOM 846 CG ARG A 61 7.850 -4.582 -7.894 1.00 0.00 C ATOM 847 CD ARG A 61 8.952 -5.117 -8.796 1.00 0.00 C ATOM 848 NE ARG A 61 8.930 -6.574 -8.882 1.00 0.00 N ATOM 849 CZ ARG A 61 9.847 -7.289 -9.527 1.00 0.00 C ATOM 850 NH1 ARG A 61 10.856 -6.683 -10.138 1.00 0.00 N ATOM 851 NH2 ARG A 61 9.757 -8.611 -9.560 1.00 0.00 N ATOM 0 HA ARG A 61 8.073 -2.771 -9.959 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.863 -2.725 -7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.194 -2.731 -7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.975 -4.983 -6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.882 -4.927 -8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.841 -4.693 -9.794 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.921 -4.791 -8.417 1.00 0.00 H new ATOM 0 HE ARG A 61 8.168 -7.072 -8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.930 -5.666 -10.114 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.558 -7.234 -10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.983 -9.081 -9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.461 -9.158 -10.055 1.00 0.00 H new ATOM 865 N GLY A 62 5.078 -1.880 -9.041 1.00 0.00 N ATOM 866 CA GLY A 62 3.664 -2.096 -9.283 1.00 0.00 C ATOM 867 C GLY A 62 2.842 -0.854 -9.002 1.00 0.00 C ATOM 868 O GLY A 62 3.299 0.050 -8.303 1.00 0.00 O ATOM 0 H GLY A 62 5.296 -1.028 -8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.516 -2.401 -10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.310 -2.914 -8.656 1.00 0.00 H new ATOM 872 N ILE A 63 1.629 -0.806 -9.544 1.00 0.00 N ATOM 873 CA ILE A 63 0.753 0.344 -9.345 1.00 0.00 C ATOM 874 C ILE A 63 -0.693 -0.084 -9.127 1.00 0.00 C ATOM 875 O ILE A 63 -1.210 -0.952 -9.831 1.00 0.00 O ATOM 876 CB ILE A 63 0.800 1.306 -10.550 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.242 1.728 -10.845 1.00 0.00 C ATOM 878 CG2 ILE A 63 -0.072 2.525 -10.286 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.380 2.598 -12.076 1.00 0.00 C ATOM 0 H ILE A 63 1.231 -1.546 -10.122 1.00 0.00 H new ATOM 0 HA ILE A 63 1.119 0.856 -8.455 1.00 0.00 H new ATOM 0 HB ILE A 63 0.411 0.786 -11.425 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.637 2.267 -9.984 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.854 0.835 -10.971 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.030 3.195 -11.144 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.102 2.207 -10.124 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.290 3.046 -9.400 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.428 2.858 -12.222 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.016 2.055 -12.948 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.795 3.509 -11.945 1.00 0.00 H new ATOM 891 N LEU A 64 -1.342 0.534 -8.144 1.00 0.00 N ATOM 892 CA LEU A 64 -2.735 0.241 -7.842 1.00 0.00 C ATOM 893 C LEU A 64 -3.627 1.351 -8.384 1.00 0.00 C ATOM 894 O LEU A 64 -3.619 2.468 -7.867 1.00 0.00 O ATOM 895 CB LEU A 64 -2.955 0.099 -6.331 1.00 0.00 C ATOM 896 CG LEU A 64 -2.348 -1.148 -5.678 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.853 -2.411 -6.359 1.00 0.00 C ATOM 898 CD2 LEU A 64 -0.828 -1.092 -5.712 1.00 0.00 C ATOM 0 H LEU A 64 -0.922 1.243 -7.543 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.993 -0.705 -8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.542 0.980 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.028 0.100 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.664 -1.171 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.410 -3.284 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.938 -2.462 -6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.573 -2.393 -7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.420 -1.987 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.489 -1.038 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.484 -0.210 -5.171 1.00 0.00 H new ATOM 910 N ASP A 65 -4.381 1.046 -9.435 1.00 0.00 N ATOM 911 CA ASP A 65 -5.277 2.026 -10.040 1.00 0.00 C ATOM 912 C ASP A 65 -6.132 2.705 -8.974 1.00 0.00 C ATOM 913 O ASP A 65 -6.512 3.866 -9.115 1.00 0.00 O ATOM 914 CB ASP A 65 -6.176 1.353 -11.078 1.00 0.00 C ATOM 915 CG ASP A 65 -5.384 0.686 -12.185 1.00 0.00 C ATOM 916 OD1 ASP A 65 -5.088 1.359 -13.194 1.00 0.00 O ATOM 917 OD2 ASP A 65 -5.058 -0.512 -12.042 1.00 0.00 O ATOM 0 H ASP A 65 -4.390 0.131 -9.885 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.670 2.784 -10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.802 0.610 -10.585 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.845 2.096 -11.511 1.00 0.00 H new ATOM 922 N LEU A 66 -6.426 1.967 -7.905 1.00 0.00 N ATOM 923 CA LEU A 66 -7.235 2.481 -6.802 1.00 0.00 C ATOM 924 C LEU A 66 -8.641 2.847 -7.270 1.00 0.00 C ATOM 925 O LEU A 66 -9.441 3.382 -6.502 1.00 0.00 O ATOM 926 CB LEU A 66 -6.557 3.689 -6.152 1.00 0.00 C ATOM 927 CG LEU A 66 -5.285 3.370 -5.360 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.620 4.649 -4.876 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.602 2.457 -4.184 1.00 0.00 C ATOM 0 H LEU A 66 -6.113 1.004 -7.779 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.323 1.689 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.310 4.411 -6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.271 4.172 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.591 2.851 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.719 4.401 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.356 5.268 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.309 5.196 -4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.686 2.242 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.315 2.949 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.032 1.525 -4.552 1.00 0.00 H new ATOM 941 N ASN A 67 -8.935 2.559 -8.533 1.00 0.00 N ATOM 942 CA ASN A 67 -10.250 2.837 -9.095 1.00 0.00 C ATOM 943 C ASN A 67 -11.102 1.573 -9.089 1.00 0.00 C ATOM 944 O ASN A 67 -12.313 1.622 -9.303 1.00 0.00 O ATOM 945 CB ASN A 67 -10.127 3.377 -10.521 1.00 0.00 C ATOM 946 CG ASN A 67 -9.474 4.745 -10.569 1.00 0.00 C ATOM 947 OD1 ASN A 67 -8.261 4.862 -10.731 1.00 0.00 O ATOM 948 ND2 ASN A 67 -10.282 5.790 -10.429 1.00 0.00 N ATOM 0 H ASN A 67 -8.279 2.133 -9.187 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.732 3.595 -8.478 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.544 2.678 -11.122 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.118 3.435 -10.971 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.901 6.736 -10.454 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.283 5.646 -10.297 1.00 0.00 H new ATOM 955 N THR A 68 -10.452 0.437 -8.843 1.00 0.00 N ATOM 956 CA THR A 68 -11.137 -0.849 -8.805 1.00 0.00 C ATOM 957 C THR A 68 -10.580 -1.735 -7.692 1.00 0.00 C ATOM 958 O THR A 68 -10.023 -2.801 -7.953 1.00 0.00 O ATOM 959 CB THR A 68 -11.013 -1.593 -10.149 1.00 0.00 C ATOM 960 OG1 THR A 68 -9.633 -1.797 -10.471 1.00 0.00 O ATOM 961 CG2 THR A 68 -11.689 -0.811 -11.265 1.00 0.00 C ATOM 0 H THR A 68 -9.449 0.384 -8.667 1.00 0.00 H new ATOM 0 HA THR A 68 -12.189 -0.642 -8.610 1.00 0.00 H new ATOM 0 HB THR A 68 -11.509 -2.559 -10.051 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.194 -2.279 -9.739 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.588 -1.356 -12.204 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.746 -0.683 -11.031 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.218 0.167 -11.361 1.00 0.00 H new ATOM 969 N TYR A 69 -10.726 -1.279 -6.451 1.00 0.00 N ATOM 970 CA TYR A 69 -10.249 -2.031 -5.293 1.00 0.00 C ATOM 971 C TYR A 69 -11.102 -1.730 -4.065 1.00 0.00 C ATOM 972 O TYR A 69 -11.947 -0.835 -4.085 1.00 0.00 O ATOM 973 CB TYR A 69 -8.786 -1.696 -4.981 1.00 0.00 C ATOM 974 CG TYR A 69 -7.779 -2.525 -5.746 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.323 -3.733 -5.234 1.00 0.00 C ATOM 976 CD2 TYR A 69 -7.278 -2.100 -6.970 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.397 -4.496 -5.919 1.00 0.00 C ATOM 978 CE2 TYR A 69 -6.352 -2.856 -7.662 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.914 -4.054 -7.133 1.00 0.00 C ATOM 980 OH TYR A 69 -4.993 -4.810 -7.820 1.00 0.00 O ATOM 0 H TYR A 69 -11.172 -0.391 -6.221 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.327 -3.090 -5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.612 -0.642 -5.200 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.614 -1.832 -3.913 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.699 -4.082 -4.284 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.618 -1.164 -7.387 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.053 -5.433 -5.506 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.972 -2.512 -8.613 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.757 -4.357 -8.657 1.00 0.00 H new ATOM 990 N ASN A 70 -10.871 -2.485 -2.996 1.00 0.00 N ATOM 991 CA ASN A 70 -11.603 -2.303 -1.749 1.00 0.00 C ATOM 992 C ASN A 70 -10.655 -2.414 -0.558 1.00 0.00 C ATOM 993 O ASN A 70 -9.877 -3.361 -0.460 1.00 0.00 O ATOM 994 CB ASN A 70 -12.723 -3.340 -1.633 1.00 0.00 C ATOM 995 CG ASN A 70 -13.803 -3.140 -2.678 1.00 0.00 C ATOM 996 OD1 ASN A 70 -14.149 -2.010 -3.022 1.00 0.00 O ATOM 997 ND2 ASN A 70 -14.337 -4.240 -3.196 1.00 0.00 N ATOM 0 H ASN A 70 -10.178 -3.233 -2.969 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.048 -1.308 -1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.301 -4.340 -1.736 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.167 -3.282 -0.639 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.064 -4.168 -3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.020 -5.157 -2.882 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.726 -1.447 0.348 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.857 -1.442 1.519 1.00 0.00 C ATOM 1006 C VAL A 71 -10.555 -2.054 2.729 1.00 0.00 C ATOM 1007 O VAL A 71 -11.713 -1.750 3.014 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.403 -0.010 1.871 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.509 -0.019 3.102 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.686 0.630 0.692 1.00 0.00 C ATOM 0 H VAL A 71 -11.373 -0.660 0.296 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.984 -2.044 1.268 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.289 0.584 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.199 1.000 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.058 -0.433 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.628 -0.631 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.374 1.639 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.810 0.036 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.360 0.674 -0.163 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.835 -2.920 3.437 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.372 -3.581 4.621 1.00 0.00 C ATOM 1022 C VAL A 72 -9.334 -3.622 5.737 1.00 0.00 C ATOM 1023 O VAL A 72 -8.251 -4.184 5.571 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.841 -5.016 4.307 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.277 -5.011 3.806 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -9.918 -5.677 3.296 1.00 0.00 C ATOM 0 H VAL A 72 -8.875 -3.180 3.210 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.233 -2.998 4.949 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.803 -5.597 5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.590 -6.032 3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.928 -4.586 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.344 -4.411 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.269 -6.688 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.916 -5.098 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.906 -5.719 3.700 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.674 -3.023 6.874 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.770 -2.978 8.017 1.00 0.00 C ATOM 1038 C LYS A 73 -8.719 -4.316 8.746 1.00 0.00 C ATOM 1039 O LYS A 73 -9.649 -4.673 9.471 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.209 -1.883 8.991 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.352 -1.799 10.247 1.00 0.00 C ATOM 1042 CD LYS A 73 -8.985 -0.904 11.302 1.00 0.00 C ATOM 1043 CE LYS A 73 -9.079 0.540 10.836 1.00 0.00 C ATOM 1044 NZ LYS A 73 -9.710 1.415 11.861 1.00 0.00 N ATOM 0 H LYS A 73 -10.570 -2.562 7.028 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.772 -2.758 7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.182 -0.921 8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.245 -2.061 9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.208 -2.799 10.657 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.365 -1.415 9.989 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.982 -1.274 11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.398 -0.952 12.219 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.081 0.913 10.606 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.657 0.587 9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.755 2.391 11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.672 1.075 12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.144 1.391 12.733 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.632 -5.057 8.549 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.463 -6.342 9.219 1.00 0.00 C ATOM 1060 C ALA A 74 -7.119 -6.118 10.693 1.00 0.00 C ATOM 1061 O ALA A 74 -6.098 -5.501 11.008 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.375 -7.161 8.534 1.00 0.00 C ATOM 0 H ALA A 74 -6.861 -4.792 7.936 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.398 -6.899 9.157 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.262 -8.116 9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.652 -7.337 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.432 -6.616 8.570 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.963 -6.625 11.617 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.751 -6.465 13.058 1.00 0.00 C ATOM 1070 C PRO A 75 -6.746 -7.457 13.637 1.00 0.00 C ATOM 1071 O PRO A 75 -5.688 -7.064 14.129 1.00 0.00 O ATOM 1072 CB PRO A 75 -9.142 -6.708 13.632 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.749 -7.692 12.700 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.204 -7.373 11.332 1.00 0.00 C ATOM 0 HA PRO A 75 -7.328 -5.490 13.299 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.092 -7.099 14.648 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.723 -5.787 13.674 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.495 -8.711 12.991 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.836 -7.619 12.712 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.004 -8.279 10.759 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.907 -6.777 10.750 1.00 0.00 H new ATOM 1082 N GLN A 76 -7.079 -8.744 13.577 1.00 0.00 N ATOM 1083 CA GLN A 76 -6.204 -9.787 14.101 1.00 0.00 C ATOM 1084 C GLN A 76 -4.857 -9.773 13.389 1.00 0.00 C ATOM 1085 O GLN A 76 -3.912 -10.438 13.812 1.00 0.00 O ATOM 1086 CB GLN A 76 -6.861 -11.159 13.943 1.00 0.00 C ATOM 1087 CG GLN A 76 -8.242 -11.243 14.569 1.00 0.00 C ATOM 1088 CD GLN A 76 -8.826 -12.641 14.510 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -8.096 -13.632 14.529 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -10.149 -12.727 14.436 1.00 0.00 N ATOM 0 H GLN A 76 -7.949 -9.089 13.171 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.038 -9.590 15.160 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.936 -11.397 12.882 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.219 -11.915 14.395 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.186 -10.921 15.609 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.911 -10.552 14.057 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.715 -11.879 14.423 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.599 -13.641 14.392 1.00 0.00 H new ATOM 1099 N GLY A 77 -4.779 -9.008 12.307 1.00 0.00 N ATOM 1100 CA GLY A 77 -3.548 -8.919 11.549 1.00 0.00 C ATOM 1101 C GLY A 77 -3.348 -10.116 10.645 1.00 0.00 C ATOM 1102 O GLY A 77 -4.173 -11.030 10.624 1.00 0.00 O ATOM 0 H GLY A 77 -5.548 -8.447 11.941 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.558 -8.009 10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.705 -8.839 12.235 1.00 0.00 H new ATOM 1106 N LYS A 78 -2.253 -10.112 9.897 1.00 0.00 N ATOM 1107 CA LYS A 78 -1.952 -11.208 8.987 1.00 0.00 C ATOM 1108 C LYS A 78 -0.459 -11.515 8.973 1.00 0.00 C ATOM 1109 O LYS A 78 0.369 -10.627 9.180 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.437 -10.874 7.576 1.00 0.00 C ATOM 1111 CG LYS A 78 -3.938 -11.026 7.400 1.00 0.00 C ATOM 1112 CD LYS A 78 -4.338 -10.966 5.935 1.00 0.00 C ATOM 1113 CE LYS A 78 -3.823 -12.172 5.164 1.00 0.00 C ATOM 1114 NZ LYS A 78 -4.254 -12.146 3.738 1.00 0.00 N ATOM 0 H LYS A 78 -1.560 -9.364 9.902 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.477 -12.095 9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.153 -9.850 7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.928 -11.522 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.261 -11.975 7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.451 -10.238 7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.424 -10.919 5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.946 -10.053 5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.734 -12.197 5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.184 -13.086 5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.575 -12.681 3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.197 -12.577 3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.292 -11.162 3.405 1.00 0.00 H new ATOM 1128 N ASN A 79 -0.128 -12.779 8.726 1.00 0.00 N ATOM 1129 CA ASN A 79 1.261 -13.227 8.686 1.00 0.00 C ATOM 1130 C ASN A 79 1.928 -13.079 10.052 1.00 0.00 C ATOM 1131 O ASN A 79 1.969 -14.028 10.836 1.00 0.00 O ATOM 1132 CB ASN A 79 2.047 -12.452 7.625 1.00 0.00 C ATOM 1133 CG ASN A 79 1.479 -12.644 6.233 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.832 -13.591 5.532 1.00 0.00 O ATOM 1135 ND2 ASN A 79 0.594 -11.743 5.825 1.00 0.00 N ATOM 0 H ASN A 79 -0.809 -13.517 8.549 1.00 0.00 H new ATOM 0 HA ASN A 79 1.262 -14.284 8.420 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.040 -11.391 7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.088 -12.776 7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.178 -11.821 4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.330 -10.973 6.440 1.00 0.00 H new ATOM 1142 N GLN A 80 2.449 -11.888 10.333 1.00 0.00 N ATOM 1143 CA GLN A 80 3.116 -11.625 11.606 1.00 0.00 C ATOM 1144 C GLN A 80 2.896 -10.181 12.050 1.00 0.00 C ATOM 1145 O GLN A 80 3.569 -9.691 12.958 1.00 0.00 O ATOM 1146 CB GLN A 80 4.616 -11.906 11.487 1.00 0.00 C ATOM 1147 CG GLN A 80 4.948 -13.370 11.250 1.00 0.00 C ATOM 1148 CD GLN A 80 6.439 -13.623 11.131 1.00 0.00 C ATOM 1149 OE1 GLN A 80 6.929 -14.691 11.495 1.00 0.00 O ATOM 1150 NE2 GLN A 80 7.170 -12.639 10.619 1.00 0.00 N ATOM 0 H GLN A 80 2.423 -11.090 9.698 1.00 0.00 H new ATOM 0 HA GLN A 80 2.684 -12.288 12.356 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.024 -11.313 10.668 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.112 -11.573 12.399 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.547 -13.966 12.070 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.453 -13.707 10.339 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.723 -11.769 10.330 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.178 -12.753 10.515 1.00 0.00 H new ATOM 1159 N LYS A 81 1.949 -9.509 11.406 1.00 0.00 N ATOM 1160 CA LYS A 81 1.641 -8.121 11.726 1.00 0.00 C ATOM 1161 C LYS A 81 0.380 -8.009 12.575 1.00 0.00 C ATOM 1162 O LYS A 81 -0.377 -8.971 12.714 1.00 0.00 O ATOM 1163 CB LYS A 81 1.462 -7.321 10.437 1.00 0.00 C ATOM 1164 CG LYS A 81 2.743 -7.156 9.645 1.00 0.00 C ATOM 1165 CD LYS A 81 3.722 -6.240 10.356 1.00 0.00 C ATOM 1166 CE LYS A 81 5.028 -6.132 9.591 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.941 -5.118 10.187 1.00 0.00 N ATOM 0 H LYS A 81 1.380 -9.904 10.657 1.00 0.00 H new ATOM 0 HA LYS A 81 2.474 -7.717 12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.719 -7.816 9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.066 -6.335 10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.204 -8.131 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.513 -6.750 8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.281 -5.250 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.916 -6.619 11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.523 -7.103 9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.820 -5.868 8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.821 -5.076 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.480 -4.186 10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.161 -5.383 11.168 1.00 0.00 H new ATOM 1181 N SER A 82 0.163 -6.826 13.142 1.00 0.00 N ATOM 1182 CA SER A 82 -1.011 -6.569 13.968 1.00 0.00 C ATOM 1183 C SER A 82 -2.004 -5.696 13.208 1.00 0.00 C ATOM 1184 O SER A 82 -3.166 -6.066 13.029 1.00 0.00 O ATOM 1185 CB SER A 82 -0.606 -5.886 15.275 1.00 0.00 C ATOM 1186 OG SER A 82 0.287 -6.696 16.019 1.00 0.00 O ATOM 0 H SER A 82 0.789 -6.027 13.043 1.00 0.00 H new ATOM 0 HA SER A 82 -1.484 -7.522 14.206 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.136 -4.927 15.057 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.495 -5.678 15.871 1.00 0.00 H new ATOM 0 HG SER A 82 0.532 -6.236 16.849 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.534 -4.535 12.762 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.363 -3.607 12.004 1.00 0.00 C ATOM 1194 C PHE A 83 -2.147 -3.824 10.510 1.00 0.00 C ATOM 1195 O PHE A 83 -1.115 -3.431 9.963 1.00 0.00 O ATOM 1196 CB PHE A 83 -2.019 -2.162 12.370 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.788 -1.938 13.838 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.758 -2.271 14.769 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.596 -1.390 14.283 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.543 -2.063 16.118 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.375 -1.178 15.630 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.350 -1.515 16.550 1.00 0.00 C ATOM 0 H PHE A 83 -0.578 -4.214 12.914 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.409 -3.792 12.250 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.125 -1.863 11.823 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.828 -1.512 12.037 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.693 -2.698 14.437 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.169 -1.125 13.568 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.307 -2.328 16.834 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.558 -0.749 15.964 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.180 -1.351 17.604 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.115 -4.452 9.849 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.997 -4.729 8.421 1.00 0.00 C ATOM 1214 C VAL A 84 -4.209 -4.226 7.642 1.00 0.00 C ATOM 1215 O VAL A 84 -5.297 -4.083 8.192 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.824 -6.245 8.167 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.883 -6.569 6.681 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.521 -6.743 8.768 1.00 0.00 C ATOM 0 H VAL A 84 -3.983 -4.776 10.275 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.114 -4.196 8.069 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.652 -6.759 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.758 -7.642 6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.848 -6.259 6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.086 -6.038 6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.418 -7.811 8.579 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.684 -6.212 8.314 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.524 -6.564 9.843 1.00 0.00 H new ATOM 1228 N PHE A 85 -3.992 -3.935 6.363 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.053 -3.477 5.472 1.00 0.00 C ATOM 1230 C PHE A 85 -4.947 -4.221 4.146 1.00 0.00 C ATOM 1231 O PHE A 85 -3.891 -4.226 3.515 1.00 0.00 O ATOM 1232 CB PHE A 85 -4.964 -1.971 5.235 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.535 -1.139 6.346 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -4.894 -1.054 7.571 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.711 -0.434 6.159 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.417 -0.281 8.588 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.240 0.340 7.172 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.592 0.419 8.388 1.00 0.00 C ATOM 0 H PHE A 85 -3.078 -4.010 5.916 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.016 -3.684 5.939 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.918 -1.698 5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.486 -1.729 4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.975 -1.598 7.732 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.221 -0.490 5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.909 -0.223 9.539 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.160 0.883 7.013 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.002 1.026 9.181 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.039 -4.846 3.725 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.038 -5.616 2.487 1.00 0.00 C ATOM 1250 C ILE A 86 -6.812 -4.925 1.369 1.00 0.00 C ATOM 1251 O ILE A 86 -7.886 -4.368 1.589 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.646 -7.012 2.710 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -5.969 -7.707 3.893 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.521 -7.855 1.449 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.684 -8.962 4.344 1.00 0.00 C ATOM 0 H ILE A 86 -6.932 -4.836 4.219 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.994 -5.702 2.185 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.705 -6.896 2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.945 -7.960 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.912 -7.010 4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.956 -8.839 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.049 -7.366 0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.469 -7.965 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.150 -9.403 5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.700 -8.712 4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.718 -9.677 3.522 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.245 -4.965 0.167 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.886 -4.391 -1.006 1.00 0.00 C ATOM 1269 C LEU A 87 -7.561 -5.499 -1.803 1.00 0.00 C ATOM 1270 O LEU A 87 -6.934 -6.509 -2.126 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.869 -3.657 -1.887 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.406 -2.297 -1.359 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.387 -1.680 -2.306 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.590 -1.362 -1.174 1.00 0.00 C ATOM 0 H LEU A 87 -5.337 -5.392 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.631 -3.666 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.995 -4.296 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.305 -3.515 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.933 -2.449 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.067 -0.713 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.524 -2.340 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.839 -1.544 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.239 -0.401 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.092 -1.216 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.289 -1.797 -0.460 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.834 -5.309 -2.117 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.587 -6.308 -2.859 1.00 0.00 C ATOM 1288 C GLU A 88 -9.987 -5.771 -4.229 1.00 0.00 C ATOM 1289 O GLU A 88 -10.861 -4.911 -4.333 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.831 -6.727 -2.073 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.518 -7.285 -0.694 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.766 -7.678 0.073 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.322 -6.817 0.785 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.187 -8.849 -0.040 1.00 0.00 O ATOM 0 H GLU A 88 -9.366 -4.474 -1.870 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.951 -7.181 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.491 -5.866 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.376 -7.478 -2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.870 -8.155 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.964 -6.541 -0.122 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.354 -6.275 -5.302 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.642 -5.831 -6.669 1.00 0.00 C ATOM 1303 C PRO A 89 -11.114 -5.973 -7.027 1.00 0.00 C ATOM 1304 O PRO A 89 -11.810 -6.849 -6.514 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.786 -6.752 -7.544 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.410 -7.894 -6.663 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.325 -7.326 -5.280 1.00 0.00 C ATOM 0 HA PRO A 89 -9.417 -4.773 -6.803 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.343 -7.095 -8.416 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.902 -6.233 -7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.153 -8.690 -6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.457 -8.327 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.531 -8.079 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.336 -6.921 -5.068 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.579 -5.102 -7.913 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.965 -5.118 -8.351 1.00 0.00 C ATOM 1317 C LYS A 90 -13.046 -5.384 -9.850 1.00 0.00 C ATOM 1318 O LYS A 90 -14.129 -5.375 -10.435 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.639 -3.785 -8.022 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.617 -3.438 -6.542 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.321 -2.119 -6.265 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.815 -2.213 -6.535 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.512 -0.929 -6.254 1.00 0.00 N ATOM 0 H LYS A 90 -11.011 -4.372 -8.344 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.484 -5.918 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.144 -2.990 -8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.674 -3.817 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.098 -4.234 -5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.585 -3.379 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.156 -1.829 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.887 -1.337 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.979 -2.495 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.246 -3.002 -5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.528 -1.035 -6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.378 -0.672 -5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.119 -0.181 -6.860 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.890 -5.620 -10.466 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.832 -5.882 -11.900 1.00 0.00 C ATOM 1339 C GLN A 91 -12.552 -7.182 -12.244 1.00 0.00 C ATOM 1340 O GLN A 91 -13.527 -7.185 -12.995 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.379 -5.952 -12.375 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.492 -4.873 -11.777 1.00 0.00 C ATOM 1343 CD GLN A 91 -8.102 -4.856 -12.384 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -7.191 -5.524 -11.896 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -7.933 -4.089 -13.454 1.00 0.00 N ATOM 0 H GLN A 91 -10.985 -5.635 -9.996 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.333 -5.060 -12.411 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.969 -6.930 -12.121 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.356 -5.869 -13.462 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.961 -3.900 -11.925 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -9.412 -5.029 -10.701 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.717 -3.552 -13.825 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -7.020 -4.037 -13.905 1.00 0.00 H new ATOM 1354 N GLN A 92 -12.063 -8.283 -11.686 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.653 -9.594 -11.928 1.00 0.00 C ATOM 1356 C GLN A 92 -12.212 -10.599 -10.865 1.00 0.00 C ATOM 1357 O GLN A 92 -12.847 -10.726 -9.818 1.00 0.00 O ATOM 1358 CB GLN A 92 -12.276 -10.100 -13.323 1.00 0.00 C ATOM 1359 CG GLN A 92 -10.926 -9.600 -13.814 1.00 0.00 C ATOM 1360 CD GLN A 92 -10.556 -10.157 -15.174 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -9.929 -11.211 -15.277 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -10.945 -9.450 -16.230 1.00 0.00 N ATOM 0 H GLN A 92 -11.257 -8.294 -11.061 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.737 -9.491 -11.871 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.268 -11.190 -13.314 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.046 -9.793 -14.031 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.943 -8.511 -13.864 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.157 -9.874 -13.092 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.463 -8.581 -16.099 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.725 -9.776 -17.171 1.00 0.00 H new ATOM 1371 N GLY A 93 -11.122 -11.308 -11.141 1.00 0.00 N ATOM 1372 CA GLY A 93 -10.613 -12.286 -10.198 1.00 0.00 C ATOM 1373 C GLY A 93 -9.179 -12.000 -9.804 1.00 0.00 C ATOM 1374 O GLY A 93 -8.458 -12.894 -9.359 1.00 0.00 O ATOM 0 H GLY A 93 -10.582 -11.222 -12.002 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.240 -12.291 -9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.677 -13.281 -10.638 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.768 -10.747 -9.970 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.410 -10.329 -9.633 1.00 0.00 C ATOM 1380 C ASP A 94 -7.074 -10.693 -8.185 1.00 0.00 C ATOM 1381 O ASP A 94 -7.970 -10.890 -7.364 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.254 -8.822 -9.844 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.301 -8.258 -10.783 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.434 -8.007 -10.324 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.989 -8.072 -11.978 1.00 0.00 O ATOM 0 H ASP A 94 -9.358 -10.000 -10.337 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.717 -10.854 -10.291 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.322 -8.314 -8.882 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.262 -8.615 -10.244 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.772 -10.790 -7.854 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.321 -11.139 -6.504 1.00 0.00 C ATOM 1392 C PRO A 95 -5.311 -9.945 -5.550 1.00 0.00 C ATOM 1393 O PRO A 95 -5.182 -8.799 -5.980 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.900 -11.635 -6.748 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.425 -10.836 -7.914 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.636 -10.570 -8.771 1.00 0.00 C ATOM 0 HA PRO A 95 -5.980 -11.864 -6.027 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.268 -11.477 -5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.883 -12.703 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.970 -9.902 -7.585 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.665 -11.381 -8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.631 -9.554 -9.166 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.676 -11.244 -9.627 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.447 -10.203 -4.233 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.445 -9.156 -3.213 1.00 0.00 C ATOM 1406 C PRO A 96 -4.034 -8.791 -2.761 1.00 0.00 C ATOM 1407 O PRO A 96 -3.072 -9.493 -3.077 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.222 -9.803 -2.072 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.895 -11.255 -2.175 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.626 -11.540 -3.634 1.00 0.00 C ATOM 0 HA PRO A 96 -5.874 -8.221 -3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.922 -9.396 -1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.293 -9.629 -2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.024 -11.499 -1.567 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.721 -11.864 -1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.737 -12.157 -3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.455 -12.076 -4.095 1.00 0.00 H new ATOM 1418 N VAL A 97 -3.913 -7.691 -2.021 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.613 -7.241 -1.528 1.00 0.00 C ATOM 1420 C VAL A 97 -2.690 -6.825 -0.061 1.00 0.00 C ATOM 1421 O VAL A 97 -3.602 -6.102 0.341 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.078 -6.057 -2.359 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.690 -5.653 -1.882 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.059 -6.407 -3.839 1.00 0.00 C ATOM 0 H VAL A 97 -4.696 -7.097 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.930 -8.085 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.747 -5.208 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.329 -4.816 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.737 -5.356 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.008 -6.497 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.679 -5.559 -4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.414 -7.271 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.070 -6.642 -4.170 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.727 -7.284 0.737 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.688 -6.959 2.158 1.00 0.00 C ATOM 1436 C GLU A 98 -0.677 -5.853 2.445 1.00 0.00 C ATOM 1437 O GLU A 98 0.408 -5.823 1.863 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.333 -8.200 2.978 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.426 -9.255 3.006 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.755 -9.801 1.630 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.018 -10.689 1.152 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.748 -9.339 1.030 1.00 0.00 O ATOM 0 H GLU A 98 -0.964 -7.882 0.421 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.679 -6.606 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.424 -8.644 2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.110 -7.896 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.115 -10.076 3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.326 -8.826 3.446 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.042 -4.948 3.347 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.168 -3.842 3.728 1.00 0.00 C ATOM 1451 C PHE A 99 -0.039 -3.760 5.247 1.00 0.00 C ATOM 1452 O PHE A 99 -0.892 -4.262 5.977 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.716 -2.519 3.195 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.868 -2.461 1.702 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.914 -3.117 1.074 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.028 -1.740 0.931 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -2.062 -3.055 -0.297 1.00 0.00 C ATOM 1458 CE2 PHE A 99 -0.114 -1.677 -0.442 1.00 0.00 C ATOM 1459 CZ PHE A 99 -1.161 -2.334 -1.057 1.00 0.00 C ATOM 0 H PHE A 99 -1.940 -4.958 3.830 1.00 0.00 H new ATOM 0 HA PHE A 99 0.815 -4.025 3.294 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.687 -2.332 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.054 -1.713 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.621 -3.683 1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.847 -1.221 1.408 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.882 -3.570 -0.776 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.593 -1.114 -1.033 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.276 -2.285 -2.130 1.00 0.00 H new ATOM 1469 N ALA A 100 1.030 -3.123 5.722 1.00 0.00 N ATOM 1470 CA ALA A 100 1.249 -2.978 7.158 1.00 0.00 C ATOM 1471 C ALA A 100 2.198 -1.824 7.470 1.00 0.00 C ATOM 1472 O ALA A 100 3.040 -1.458 6.651 1.00 0.00 O ATOM 1473 CB ALA A 100 1.790 -4.275 7.741 1.00 0.00 C ATOM 0 H ALA A 100 1.752 -2.702 5.138 1.00 0.00 H new ATOM 0 HA ALA A 100 0.288 -2.751 7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.949 -4.154 8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.073 -5.078 7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.736 -4.524 7.260 1.00 0.00 H new ATOM 1479 N THR A 101 2.049 -1.253 8.664 1.00 0.00 N ATOM 1480 CA THR A 101 2.893 -0.146 9.102 1.00 0.00 C ATOM 1481 C THR A 101 3.625 -0.499 10.392 1.00 0.00 C ATOM 1482 O THR A 101 3.620 -1.653 10.822 1.00 0.00 O ATOM 1483 CB THR A 101 2.074 1.139 9.329 1.00 0.00 C ATOM 1484 OG1 THR A 101 0.973 0.871 10.206 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.557 1.698 8.013 1.00 0.00 C ATOM 0 H THR A 101 1.348 -1.541 9.347 1.00 0.00 H new ATOM 0 HA THR A 101 3.616 0.033 8.306 1.00 0.00 H new ATOM 0 HB THR A 101 2.729 1.881 9.784 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.072 1.398 11.026 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.983 2.605 8.203 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.399 1.932 7.361 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.918 0.959 7.530 1.00 0.00 H new ATOM 1493 N ASP A 102 4.253 0.499 11.006 1.00 0.00 N ATOM 1494 CA ASP A 102 4.988 0.290 12.250 1.00 0.00 C ATOM 1495 C ASP A 102 4.424 1.161 13.367 1.00 0.00 C ATOM 1496 O ASP A 102 4.773 0.991 14.536 1.00 0.00 O ATOM 1497 CB ASP A 102 6.472 0.606 12.047 1.00 0.00 C ATOM 1498 CG ASP A 102 7.300 0.314 13.283 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.763 -0.837 13.429 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.488 1.236 14.103 1.00 0.00 O ATOM 0 H ASP A 102 4.268 1.460 10.663 1.00 0.00 H new ATOM 0 HA ASP A 102 4.879 -0.756 12.536 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.854 0.021 11.211 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.583 1.656 11.778 1.00 0.00 H new ATOM 1505 N ARG A 103 3.549 2.092 13.002 1.00 0.00 N ATOM 1506 CA ARG A 103 2.944 2.994 13.976 1.00 0.00 C ATOM 1507 C ARG A 103 1.459 3.191 13.687 1.00 0.00 C ATOM 1508 O ARG A 103 0.972 2.832 12.616 1.00 0.00 O ATOM 1509 CB ARG A 103 3.660 4.347 13.958 1.00 0.00 C ATOM 1510 CG ARG A 103 5.174 4.235 13.865 1.00 0.00 C ATOM 1511 CD ARG A 103 5.850 5.578 14.085 1.00 0.00 C ATOM 1512 NE ARG A 103 5.553 6.131 15.403 1.00 0.00 N ATOM 1513 CZ ARG A 103 6.095 7.250 15.874 1.00 0.00 C ATOM 1514 NH1 ARG A 103 6.959 7.935 15.135 1.00 0.00 N ATOM 1515 NH2 ARG A 103 5.774 7.687 17.084 1.00 0.00 N ATOM 0 H ARG A 103 3.243 2.242 12.041 1.00 0.00 H new ATOM 0 HA ARG A 103 3.047 2.545 14.964 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.295 4.930 13.113 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.400 4.898 14.862 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.533 3.521 14.606 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.451 3.844 12.886 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.928 5.463 13.975 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.524 6.278 13.316 1.00 0.00 H new ATOM 0 HE ARG A 103 4.892 5.630 15.997 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.209 7.603 14.203 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.373 8.793 15.499 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.110 7.164 17.655 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.191 8.546 17.443 1.00 0.00 H new ATOM 1529 N VAL A 104 0.746 3.764 14.652 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.683 4.010 14.505 1.00 0.00 C ATOM 1531 C VAL A 104 -0.947 5.236 13.636 1.00 0.00 C ATOM 1532 O VAL A 104 -1.945 5.296 12.917 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.365 4.205 15.872 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -1.317 2.918 16.681 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -0.716 5.349 16.637 1.00 0.00 C ATOM 0 H VAL A 104 1.136 4.067 15.545 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.105 3.129 14.020 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.411 4.461 15.701 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.804 3.075 17.644 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.834 2.127 16.138 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.279 2.628 16.842 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.212 5.471 17.600 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.339 5.127 16.798 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.809 6.270 16.062 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.049 6.214 13.708 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.187 7.439 12.927 1.00 0.00 C ATOM 1547 C GLU A 105 0.022 7.167 11.441 1.00 0.00 C ATOM 1548 O GLU A 105 -0.782 7.582 10.606 1.00 0.00 O ATOM 1549 CB GLU A 105 0.803 8.497 13.414 1.00 0.00 C ATOM 1550 CG GLU A 105 2.224 7.982 13.541 1.00 0.00 C ATOM 1551 CD GLU A 105 3.164 9.002 14.152 1.00 0.00 C ATOM 1552 OE1 GLU A 105 3.301 9.015 15.394 1.00 0.00 O ATOM 1553 OE2 GLU A 105 3.766 9.787 13.389 1.00 0.00 O ATOM 0 H GLU A 105 0.782 6.182 14.299 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.201 7.814 13.066 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.791 9.340 12.723 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.473 8.873 14.382 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.226 7.080 14.153 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.593 7.699 12.555 1.00 0.00 H new ATOM 1560 N GLU A 106 1.108 6.471 11.115 1.00 0.00 N ATOM 1561 CA GLU A 106 1.414 6.142 9.728 1.00 0.00 C ATOM 1562 C GLU A 106 0.332 5.245 9.141 1.00 0.00 C ATOM 1563 O GLU A 106 0.080 5.262 7.936 1.00 0.00 O ATOM 1564 CB GLU A 106 2.771 5.443 9.629 1.00 0.00 C ATOM 1565 CG GLU A 106 3.912 6.230 10.248 1.00 0.00 C ATOM 1566 CD GLU A 106 4.107 7.586 9.599 1.00 0.00 C ATOM 1567 OE1 GLU A 106 4.873 7.670 8.616 1.00 0.00 O ATOM 1568 OE2 GLU A 106 3.494 8.566 10.075 1.00 0.00 O ATOM 0 H GLU A 106 1.789 6.125 11.791 1.00 0.00 H new ATOM 0 HA GLU A 106 1.452 7.072 9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.705 4.471 10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.998 5.257 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.719 6.365 11.312 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.834 5.655 10.162 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.304 4.460 10.005 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.360 3.552 9.579 1.00 0.00 C ATOM 1577 C LEU A 107 -2.580 4.328 9.100 1.00 0.00 C ATOM 1578 O LEU A 107 -3.027 4.166 7.967 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.766 2.630 10.730 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.742 1.515 10.347 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -1.989 0.226 10.078 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.778 1.304 11.439 1.00 0.00 C ATOM 0 H LEU A 107 -0.105 4.435 11.005 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.974 2.953 8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.867 2.178 11.149 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.217 3.233 11.518 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.262 1.814 9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.696 -0.558 9.807 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.286 0.380 9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.444 -0.071 10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.460 0.507 11.144 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.277 1.028 12.367 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.340 2.225 11.590 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.104 5.181 9.970 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.282 5.975 9.649 1.00 0.00 C ATOM 1596 C PHE A 108 -3.989 6.995 8.556 1.00 0.00 C ATOM 1597 O PHE A 108 -4.880 7.385 7.817 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.799 6.688 10.897 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.285 6.573 11.081 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -6.844 5.417 11.602 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -7.123 7.621 10.734 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.212 5.308 11.774 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.491 7.518 10.903 1.00 0.00 C ATOM 1604 CZ PHE A 108 -9.036 6.360 11.423 1.00 0.00 C ATOM 0 H PHE A 108 -2.731 5.341 10.906 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.047 5.292 9.279 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.299 6.276 11.774 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.528 7.742 10.842 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.204 4.592 11.877 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.702 8.529 10.327 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.635 4.402 12.182 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.133 8.342 10.629 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.105 6.277 11.555 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.742 7.428 8.453 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.369 8.422 7.449 1.00 0.00 C ATOM 1616 C GLU A 109 -2.331 7.823 6.042 1.00 0.00 C ATOM 1617 O GLU A 109 -3.050 8.270 5.144 1.00 0.00 O ATOM 1618 CB GLU A 109 -1.005 9.021 7.797 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.529 10.076 6.812 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.439 11.288 6.768 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -2.391 11.287 5.962 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -1.197 12.238 7.542 1.00 0.00 O ATOM 0 H GLU A 109 -1.974 7.112 9.045 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.129 9.204 7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.056 9.463 8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.267 8.220 7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.478 10.393 7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.468 9.636 5.816 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.506 6.800 5.863 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.351 6.151 4.564 1.00 0.00 C ATOM 1631 C TRP A 110 -2.609 5.403 4.133 1.00 0.00 C ATOM 1632 O TRP A 110 -3.082 5.565 3.008 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.174 5.175 4.604 1.00 0.00 C ATOM 1634 CG TRP A 110 1.120 5.771 4.143 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.104 6.304 4.925 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.574 5.887 2.790 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.142 6.744 4.139 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.839 6.500 2.827 1.00 0.00 C ATOM 1639 CE3 TRP A 110 1.033 5.531 1.551 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.571 6.763 1.675 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.763 5.795 0.407 1.00 0.00 C ATOM 1642 CH2 TRP A 110 3.020 6.405 0.476 1.00 0.00 C ATOM 0 H TRP A 110 -0.931 6.399 6.603 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.165 6.939 3.834 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.052 4.809 5.623 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.408 4.312 3.981 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.072 6.370 6.002 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.999 7.181 4.478 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.064 5.059 1.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.542 7.234 1.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.356 5.526 -0.556 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.566 6.597 -0.436 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.146 4.587 5.030 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.326 3.785 4.725 1.00 0.00 C ATOM 1655 C PHE A 111 -5.574 4.633 4.499 1.00 0.00 C ATOM 1656 O PHE A 111 -6.351 4.352 3.588 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.538 2.740 5.817 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.490 1.668 5.753 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.272 0.984 4.569 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.709 1.360 6.853 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.297 0.015 4.482 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.733 0.385 6.772 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.526 -0.286 5.585 1.00 0.00 C ATOM 0 H PHE A 111 -2.784 4.462 5.975 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.146 3.273 3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.511 3.221 6.795 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.526 2.293 5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.874 1.213 3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.864 1.886 7.783 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.137 -0.508 3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.133 0.149 7.638 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.761 -1.046 5.519 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.776 5.666 5.311 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.938 6.530 5.130 1.00 0.00 C ATOM 1675 C GLN A 112 -6.890 7.156 3.743 1.00 0.00 C ATOM 1676 O GLN A 112 -7.922 7.342 3.099 1.00 0.00 O ATOM 1677 CB GLN A 112 -6.988 7.612 6.211 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.315 8.347 6.301 1.00 0.00 C ATOM 1679 CD GLN A 112 -8.514 9.345 5.178 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -7.554 9.914 4.661 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -9.767 9.564 4.798 1.00 0.00 N ATOM 0 H GLN A 112 -5.164 5.922 6.086 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.844 5.931 5.222 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.774 7.154 7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.197 8.337 6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.128 7.621 6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.372 8.867 7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.533 9.069 5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.964 10.227 4.049 1.00 0.00 H new ATOM 1690 N SER A 113 -5.679 7.476 3.285 1.00 0.00 N ATOM 1691 CA SER A 113 -5.493 8.051 1.958 1.00 0.00 C ATOM 1692 C SER A 113 -5.863 7.026 0.891 1.00 0.00 C ATOM 1693 O SER A 113 -6.532 7.353 -0.088 1.00 0.00 O ATOM 1694 CB SER A 113 -4.045 8.510 1.769 1.00 0.00 C ATOM 1695 OG SER A 113 -3.853 9.077 0.485 1.00 0.00 O ATOM 0 H SER A 113 -4.816 7.346 3.814 1.00 0.00 H new ATOM 0 HA SER A 113 -6.145 8.919 1.860 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.789 9.242 2.535 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.372 7.663 1.900 1.00 0.00 H new ATOM 0 HG SER A 113 -3.557 10.006 0.579 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.417 5.783 1.080 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.741 4.718 0.139 1.00 0.00 C ATOM 1703 C ILE A 114 -7.255 4.576 0.050 1.00 0.00 C ATOM 1704 O ILE A 114 -7.806 4.252 -1.003 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.115 3.365 0.553 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.583 3.445 0.506 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.620 2.248 -0.353 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.884 2.145 0.863 1.00 0.00 C ATOM 0 H ILE A 114 -4.837 5.494 1.868 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.324 4.987 -0.832 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.416 3.143 1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.276 3.747 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.249 4.225 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.171 1.302 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.705 2.177 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.346 2.465 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.804 2.285 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.159 1.850 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.186 1.365 0.164 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.917 4.830 1.176 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.370 4.767 1.255 1.00 0.00 C ATOM 1722 C ARG A 115 -9.982 6.005 0.609 1.00 0.00 C ATOM 1723 O ARG A 115 -11.085 5.962 0.069 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.817 4.675 2.717 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.344 3.419 3.428 1.00 0.00 C ATOM 1726 CD ARG A 115 -9.882 3.359 4.848 1.00 0.00 C ATOM 1727 NE ARG A 115 -8.825 3.126 5.828 1.00 0.00 N ATOM 1728 CZ ARG A 115 -8.902 3.507 7.100 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -9.989 4.126 7.545 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -7.896 3.269 7.929 1.00 0.00 N ATOM 0 H ARG A 115 -7.463 5.084 2.053 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.710 3.879 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.446 5.547 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.906 4.715 2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.671 2.539 2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.254 3.397 3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -10.392 4.294 5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -10.624 2.564 4.920 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.980 2.644 5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -10.767 4.310 6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -10.046 4.418 8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.059 2.792 7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.958 3.562 8.904 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.244 7.109 0.674 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.693 8.376 0.107 1.00 0.00 C ATOM 1746 C GLU A 116 -9.865 8.279 -1.406 1.00 0.00 C ATOM 1747 O GLU A 116 -10.547 9.104 -2.014 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.693 9.485 0.448 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.874 10.068 1.840 1.00 0.00 C ATOM 1750 CD GLU A 116 -7.982 11.269 2.087 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -6.784 11.070 2.375 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -8.482 12.409 1.991 1.00 0.00 O ATOM 0 H GLU A 116 -8.326 7.151 1.117 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.664 8.614 0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.681 9.089 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.788 10.285 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.916 10.359 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.658 9.300 2.583 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.246 7.270 -2.008 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.326 7.078 -3.451 1.00 0.00 C ATOM 1761 C ILE A 117 -10.202 5.880 -3.811 1.00 0.00 C ATOM 1762 O ILE A 117 -10.848 5.867 -4.859 1.00 0.00 O ATOM 1763 CB ILE A 117 -7.924 6.888 -4.061 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -7.024 8.070 -3.687 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -8.016 6.741 -5.574 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.569 7.869 -4.049 1.00 0.00 C ATOM 0 H ILE A 117 -8.684 6.573 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.780 7.978 -3.866 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.486 5.975 -3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.392 8.967 -4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.101 8.248 -2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.017 6.608 -5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.629 5.873 -5.819 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.469 7.637 -6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.996 8.748 -3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -5.183 6.992 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.479 7.722 -5.125 1.00 0.00 H new ATOM 1778 N THR A 118 -10.224 4.879 -2.937 1.00 0.00 N ATOM 1779 CA THR A 118 -11.024 3.680 -3.170 1.00 0.00 C ATOM 1780 C THR A 118 -12.316 3.716 -2.362 1.00 0.00 C ATOM 1781 O THR A 118 -13.413 3.696 -2.920 1.00 0.00 O ATOM 1782 CB THR A 118 -10.244 2.403 -2.803 1.00 0.00 C ATOM 1783 OG1 THR A 118 -9.828 2.460 -1.433 1.00 0.00 O ATOM 1784 CG2 THR A 118 -9.027 2.233 -3.699 1.00 0.00 C ATOM 0 H THR A 118 -9.699 4.873 -2.063 1.00 0.00 H new ATOM 0 HA THR A 118 -11.261 3.662 -4.234 1.00 0.00 H new ATOM 0 HB THR A 118 -10.904 1.548 -2.948 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.033 3.028 -1.356 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.494 1.324 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.348 2.161 -4.738 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.366 3.092 -3.582 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.173 3.772 -1.043 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.317 3.811 -0.142 1.00 0.00 C ATOM 1794 C TRP A 119 -14.169 5.054 -0.390 1.00 0.00 C ATOM 1795 O TRP A 119 -15.348 5.090 -0.039 1.00 0.00 O ATOM 1796 CB TRP A 119 -12.829 3.785 1.308 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.927 3.855 2.322 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -14.128 4.845 3.238 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.973 2.898 2.527 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -15.232 4.564 4.002 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.770 3.375 3.586 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.313 1.687 1.919 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -16.885 2.680 4.047 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.420 0.999 2.379 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -17.196 1.498 3.435 1.00 0.00 C ATOM 0 H TRP A 119 -11.269 3.791 -0.572 1.00 0.00 H new ATOM 0 HA TRP A 119 -13.938 2.936 -0.332 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.256 2.872 1.471 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.148 4.622 1.466 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.508 5.723 3.346 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.594 5.146 4.757 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.722 1.296 1.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.484 3.062 4.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.692 0.061 1.917 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -18.056 0.938 3.771 1.00 0.00 H new