USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 465 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 27 TYR OH : rot 146:sc= 1.28 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.612 K(o=1.9,f=-4.5!) USER MOD Single : A 13 GLN : amide:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.478 K(o=-0.48,f=-1.2) USER MOD Single : A 29 ASN : amide:sc= 0.373 X(o=0.37,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl -173:sc= 0 (180deg=-0.091) USER MOD Single : A 34 ASN : amide:sc= 0.585 K(o=0.59,f=-2.7!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 42 MET CE :methyl -122:sc= -2.7 (180deg=-4.58!) USER MOD Single : A 47 MET CE :methyl 148:sc= -1.93! (180deg=-3.94!) USER MOD Single : A 50 GLN : amide:sc= -0.403 K(o=-0.4,f=-3.3) USER MOD Single : A 59 ASN : amide:sc= -0.0294 X(o=-0.029,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.108 USER MOD Single : A 64 GLN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc=-8.09e-05 X(o=-8.1e-05,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.258 3.929 -26.093 1.00 0.00 N ATOM 146 CA GLN A 13 -1.455 4.040 -26.919 1.00 0.00 C ATOM 147 C GLN A 13 -1.253 5.057 -28.037 1.00 0.00 C ATOM 148 O GLN A 13 -0.257 5.782 -28.060 1.00 0.00 O ATOM 149 CB GLN A 13 -2.656 4.439 -26.061 1.00 0.00 C ATOM 150 CG GLN A 13 -2.529 5.820 -25.440 1.00 0.00 C ATOM 151 CD GLN A 13 -3.585 6.086 -24.385 1.00 0.00 C ATOM 152 OE1 GLN A 13 -3.272 6.491 -23.266 1.00 0.00 O ATOM 153 NE2 GLN A 13 -4.845 5.859 -24.738 1.00 0.00 N ATOM 0 HA GLN A 13 -1.647 3.066 -27.370 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.556 4.407 -26.674 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.785 3.703 -25.267 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.540 5.923 -24.993 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.605 6.574 -26.223 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.059 5.523 -25.677 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.599 6.020 -24.070 1.00 0.00 H new ATOM 162 N THR A 14 -2.203 5.106 -28.965 1.00 0.00 N ATOM 163 CA THR A 14 -2.130 6.033 -30.087 1.00 0.00 C ATOM 164 C THR A 14 -3.324 6.980 -30.097 1.00 0.00 C ATOM 165 O THR A 14 -4.336 6.727 -29.443 1.00 0.00 O ATOM 166 CB THR A 14 -2.071 5.285 -31.432 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.327 4.650 -31.695 1.00 0.00 O ATOM 168 CG2 THR A 14 -0.963 4.242 -31.423 1.00 0.00 C ATOM 0 H THR A 14 -3.033 4.514 -28.962 1.00 0.00 H new ATOM 0 HA THR A 14 -1.214 6.610 -29.960 1.00 0.00 H new ATOM 0 HB THR A 14 -1.859 6.011 -32.217 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.282 4.178 -32.553 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.941 3.727 -32.383 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.004 4.731 -31.251 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.149 3.520 -30.628 1.00 0.00 H new ATOM 176 N VAL A 15 -3.202 8.072 -30.845 1.00 0.00 N ATOM 177 CA VAL A 15 -4.273 9.057 -30.942 1.00 0.00 C ATOM 178 C VAL A 15 -5.578 8.406 -31.385 1.00 0.00 C ATOM 179 O VAL A 15 -6.651 8.734 -30.879 1.00 0.00 O ATOM 180 CB VAL A 15 -3.912 10.183 -31.928 1.00 0.00 C ATOM 181 CG1 VAL A 15 -5.045 11.194 -32.022 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.615 10.860 -31.513 1.00 0.00 C ATOM 0 H VAL A 15 -2.372 8.297 -31.393 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.403 9.484 -29.948 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.766 9.744 -32.915 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.772 11.982 -32.723 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.949 10.695 -32.371 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.227 11.629 -31.039 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.376 11.653 -32.221 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.730 11.286 -30.516 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.809 10.127 -31.503 1.00 0.00 H new ATOM 192 N GLY A 16 -5.480 7.481 -32.335 1.00 0.00 N ATOM 193 CA GLY A 16 -6.660 6.798 -32.831 1.00 0.00 C ATOM 194 C GLY A 16 -7.412 6.070 -31.735 1.00 0.00 C ATOM 195 O GLY A 16 -8.560 6.400 -31.438 1.00 0.00 O ATOM 0 H GLY A 16 -4.604 7.192 -32.770 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.324 7.522 -33.303 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.366 6.085 -33.601 1.00 0.00 H new ATOM 199 N GLN A 17 -6.765 5.077 -31.134 1.00 0.00 N ATOM 200 CA GLN A 17 -7.382 4.299 -30.066 1.00 0.00 C ATOM 201 C GLN A 17 -7.757 5.193 -28.888 1.00 0.00 C ATOM 202 O GLN A 17 -8.802 5.008 -28.265 1.00 0.00 O ATOM 203 CB GLN A 17 -6.435 3.192 -29.600 1.00 0.00 C ATOM 204 CG GLN A 17 -6.179 2.127 -30.654 1.00 0.00 C ATOM 205 CD GLN A 17 -5.840 0.778 -30.050 1.00 0.00 C ATOM 206 OE1 GLN A 17 -6.729 0.011 -29.679 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.550 0.481 -29.950 1.00 0.00 N ATOM 0 H GLN A 17 -5.814 4.792 -31.368 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.292 3.847 -30.460 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.484 3.638 -29.307 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.852 2.719 -28.711 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.062 2.027 -31.286 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.361 2.448 -31.299 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.847 1.147 -30.270 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.262 -0.413 -29.553 1.00 0.00 H new ATOM 216 N TRP A 18 -6.898 6.161 -28.590 1.00 0.00 N ATOM 217 CA TRP A 18 -7.139 7.083 -27.486 1.00 0.00 C ATOM 218 C TRP A 18 -8.464 7.816 -27.669 1.00 0.00 C ATOM 219 O TRP A 18 -9.314 7.814 -26.778 1.00 0.00 O ATOM 220 CB TRP A 18 -5.995 8.092 -27.378 1.00 0.00 C ATOM 221 CG TRP A 18 -6.237 9.157 -26.352 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.437 8.975 -25.013 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.306 10.569 -26.581 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.626 10.189 -24.397 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.550 11.182 -25.337 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.183 11.374 -27.717 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.674 12.562 -25.199 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.307 12.744 -27.578 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.550 13.326 -26.327 1.00 0.00 C ATOM 0 H TRP A 18 -6.029 6.328 -29.097 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.190 6.502 -26.565 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.075 7.562 -27.131 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.841 8.562 -28.350 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.445 8.018 -24.512 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.795 10.328 -23.401 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.995 10.934 -28.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.861 13.013 -24.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.215 13.376 -28.449 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.641 14.399 -26.252 1.00 0.00 H new ATOM 240 N LEU A 19 -8.633 8.442 -28.829 1.00 0.00 N ATOM 241 CA LEU A 19 -9.856 9.180 -29.128 1.00 0.00 C ATOM 242 C LEU A 19 -11.077 8.271 -29.033 1.00 0.00 C ATOM 243 O LEU A 19 -12.143 8.693 -28.586 1.00 0.00 O ATOM 244 CB LEU A 19 -9.773 9.797 -30.525 1.00 0.00 C ATOM 245 CG LEU A 19 -8.814 10.978 -30.681 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.339 11.094 -32.121 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.481 12.270 -30.232 1.00 0.00 C ATOM 0 H LEU A 19 -7.940 8.453 -29.577 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.961 9.976 -28.391 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.476 9.018 -31.227 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.771 10.124 -30.816 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.945 10.801 -30.047 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.658 11.940 -32.212 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.822 10.179 -32.408 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.197 11.247 -32.776 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.784 13.100 -30.350 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.368 12.452 -30.839 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.770 12.185 -29.184 1.00 0.00 H new ATOM 259 N GLU A 20 -10.913 7.021 -29.456 1.00 0.00 N ATOM 260 CA GLU A 20 -12.002 6.053 -29.417 1.00 0.00 C ATOM 261 C GLU A 20 -12.456 5.802 -27.982 1.00 0.00 C ATOM 262 O GLU A 20 -13.607 5.438 -27.738 1.00 0.00 O ATOM 263 CB GLU A 20 -11.567 4.736 -30.063 1.00 0.00 C ATOM 264 CG GLU A 20 -11.164 4.877 -31.521 1.00 0.00 C ATOM 265 CD GLU A 20 -11.961 3.970 -32.438 1.00 0.00 C ATOM 266 OE1 GLU A 20 -12.024 2.754 -32.159 1.00 0.00 O ATOM 267 OE2 GLU A 20 -12.520 4.475 -33.433 1.00 0.00 O ATOM 0 H GLU A 20 -10.037 6.656 -29.829 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.840 6.466 -29.978 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.728 4.325 -29.501 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.383 4.017 -29.988 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.300 5.913 -31.833 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.103 4.650 -31.624 1.00 0.00 H new ATOM 274 N SER A 21 -11.544 5.999 -27.036 1.00 0.00 N ATOM 275 CA SER A 21 -11.848 5.791 -25.625 1.00 0.00 C ATOM 276 C SER A 21 -12.840 6.835 -25.123 1.00 0.00 C ATOM 277 O SER A 21 -13.951 6.503 -24.709 1.00 0.00 O ATOM 278 CB SER A 21 -10.566 5.847 -24.791 1.00 0.00 C ATOM 279 OG SER A 21 -10.431 4.689 -23.984 1.00 0.00 O ATOM 0 H SER A 21 -10.588 6.303 -27.221 1.00 0.00 H new ATOM 0 HA SER A 21 -12.300 4.805 -25.518 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.703 5.937 -25.451 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.578 6.735 -24.159 1.00 0.00 H new ATOM 0 HG SER A 21 -9.603 4.748 -23.462 1.00 0.00 H new ATOM 285 N ILE A 22 -12.431 8.099 -25.163 1.00 0.00 N ATOM 286 CA ILE A 22 -13.283 9.192 -24.714 1.00 0.00 C ATOM 287 C ILE A 22 -14.648 9.140 -25.393 1.00 0.00 C ATOM 288 O ILE A 22 -15.657 9.536 -24.812 1.00 0.00 O ATOM 289 CB ILE A 22 -12.636 10.562 -24.993 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.243 10.674 -26.467 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.422 10.766 -24.098 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.692 12.031 -26.844 1.00 0.00 C ATOM 0 H ILE A 22 -11.514 8.391 -25.502 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.410 9.071 -23.638 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.363 11.343 -24.770 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.497 9.912 -26.695 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.116 10.461 -27.084 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.975 11.738 -24.307 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.729 10.724 -23.053 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.691 9.982 -24.293 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.435 12.038 -27.903 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.443 12.796 -26.648 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.800 12.239 -26.253 1.00 0.00 H new ATOM 304 N GLY A 23 -14.670 8.646 -26.627 1.00 0.00 N ATOM 305 CA GLY A 23 -15.917 8.549 -27.364 1.00 0.00 C ATOM 306 C GLY A 23 -16.064 9.644 -28.401 1.00 0.00 C ATOM 307 O GLY A 23 -17.147 10.203 -28.575 1.00 0.00 O ATOM 0 H GLY A 23 -13.848 8.311 -27.129 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.970 7.578 -27.856 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.753 8.599 -26.666 1.00 0.00 H new ATOM 311 N LEU A 24 -14.972 9.954 -29.091 1.00 0.00 N ATOM 312 CA LEU A 24 -14.983 10.993 -30.116 1.00 0.00 C ATOM 313 C LEU A 24 -13.999 10.664 -31.235 1.00 0.00 C ATOM 314 O LEU A 24 -12.980 11.331 -31.414 1.00 0.00 O ATOM 315 CB LEU A 24 -14.637 12.349 -29.499 1.00 0.00 C ATOM 316 CG LEU A 24 -15.803 13.122 -28.881 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.288 14.234 -27.980 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.703 13.689 -29.969 1.00 0.00 C ATOM 0 H LEU A 24 -14.068 9.501 -28.960 1.00 0.00 H new ATOM 0 HA LEU A 24 -15.986 11.040 -30.541 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.882 12.193 -28.729 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.183 12.971 -30.270 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.390 12.433 -28.274 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.132 14.773 -27.549 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.685 13.804 -27.180 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.678 14.923 -28.564 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.527 14.236 -29.511 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.127 14.364 -30.602 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.100 12.874 -30.574 1.00 0.00 H new ATOM 330 N PRO A 25 -14.311 9.613 -32.007 1.00 0.00 N ATOM 331 CA PRO A 25 -13.469 9.174 -33.124 1.00 0.00 C ATOM 332 C PRO A 25 -13.488 10.160 -34.287 1.00 0.00 C ATOM 333 O PRO A 25 -12.581 10.170 -35.118 1.00 0.00 O ATOM 334 CB PRO A 25 -14.099 7.843 -33.541 1.00 0.00 C ATOM 335 CG PRO A 25 -15.520 7.942 -33.104 1.00 0.00 C ATOM 336 CD PRO A 25 -15.510 8.773 -31.851 1.00 0.00 C ATOM 0 HA PRO A 25 -12.421 9.094 -32.837 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.026 7.691 -34.618 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.596 7.001 -33.065 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.134 8.406 -33.875 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.940 6.954 -32.914 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.414 9.376 -31.762 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.452 8.152 -30.957 1.00 0.00 H new ATOM 344 N GLN A 26 -14.528 10.987 -34.339 1.00 0.00 N ATOM 345 CA GLN A 26 -14.664 11.976 -35.401 1.00 0.00 C ATOM 346 C GLN A 26 -13.426 12.864 -35.481 1.00 0.00 C ATOM 347 O GLN A 26 -13.102 13.401 -36.540 1.00 0.00 O ATOM 348 CB GLN A 26 -15.908 12.835 -35.170 1.00 0.00 C ATOM 349 CG GLN A 26 -15.949 13.491 -33.799 1.00 0.00 C ATOM 350 CD GLN A 26 -16.923 14.651 -33.736 1.00 0.00 C ATOM 351 OE1 GLN A 26 -16.797 15.624 -34.479 1.00 0.00 O ATOM 352 NE2 GLN A 26 -17.903 14.553 -32.845 1.00 0.00 N ATOM 0 H GLN A 26 -15.288 10.991 -33.658 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.768 11.444 -36.347 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -15.952 13.610 -35.936 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.796 12.215 -35.293 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -16.227 12.747 -33.053 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -14.951 13.845 -33.540 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.970 13.728 -32.249 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.589 15.303 -32.757 1.00 0.00 H new ATOM 361 N TYR A 27 -12.738 13.013 -34.354 1.00 0.00 N ATOM 362 CA TYR A 27 -11.538 13.838 -34.295 1.00 0.00 C ATOM 363 C TYR A 27 -10.284 12.988 -34.480 1.00 0.00 C ATOM 364 O TYR A 27 -9.256 13.235 -33.850 1.00 0.00 O ATOM 365 CB TYR A 27 -11.470 14.583 -32.962 1.00 0.00 C ATOM 366 CG TYR A 27 -12.692 15.428 -32.678 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.258 16.222 -33.668 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.281 15.432 -31.419 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.373 16.995 -33.413 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.397 16.202 -31.156 1.00 0.00 C ATOM 371 CZ TYR A 27 -14.939 16.982 -32.155 1.00 0.00 C ATOM 372 OH TYR A 27 -16.051 17.750 -31.898 1.00 0.00 O ATOM 0 H TYR A 27 -12.991 12.573 -33.469 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.587 14.564 -35.106 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.344 13.859 -32.157 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.587 15.222 -32.957 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.818 16.235 -34.654 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.859 14.823 -30.633 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.800 17.607 -34.194 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.843 16.193 -30.172 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.628 17.286 -31.256 1.00 0.00 H new ATOM 382 N GLU A 28 -10.378 11.986 -35.349 1.00 0.00 N ATOM 383 CA GLU A 28 -9.252 11.100 -35.616 1.00 0.00 C ATOM 384 C GLU A 28 -8.352 11.677 -36.705 1.00 0.00 C ATOM 385 O GLU A 28 -7.134 11.508 -36.673 1.00 0.00 O ATOM 386 CB GLU A 28 -9.752 9.715 -36.033 1.00 0.00 C ATOM 387 CG GLU A 28 -8.641 8.693 -36.207 1.00 0.00 C ATOM 388 CD GLU A 28 -9.063 7.512 -37.058 1.00 0.00 C ATOM 389 OE1 GLU A 28 -9.299 7.708 -38.269 1.00 0.00 O ATOM 390 OE2 GLU A 28 -9.157 6.392 -36.515 1.00 0.00 O ATOM 0 H GLU A 28 -11.222 11.768 -35.879 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.670 11.007 -34.699 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.455 9.351 -35.283 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.302 9.804 -36.970 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.777 9.175 -36.664 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.325 8.335 -35.227 1.00 0.00 H new ATOM 397 N ASN A 29 -8.962 12.359 -37.669 1.00 0.00 N ATOM 398 CA ASN A 29 -8.217 12.960 -38.769 1.00 0.00 C ATOM 399 C ASN A 29 -7.847 14.406 -38.449 1.00 0.00 C ATOM 400 O ASN A 29 -6.858 14.932 -38.959 1.00 0.00 O ATOM 401 CB ASN A 29 -9.038 12.906 -40.059 1.00 0.00 C ATOM 402 CG ASN A 29 -8.178 12.646 -41.281 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.416 11.699 -42.031 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.173 13.489 -41.486 1.00 0.00 N ATOM 0 H ASN A 29 -9.970 12.509 -37.711 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.298 12.390 -38.907 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.791 12.123 -39.975 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.571 13.848 -40.187 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.560 13.366 -42.292 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.014 14.260 -40.837 1.00 0.00 H new ATOM 411 N HIS A 30 -8.649 15.042 -37.602 1.00 0.00 N ATOM 412 CA HIS A 30 -8.406 16.427 -37.212 1.00 0.00 C ATOM 413 C HIS A 30 -6.991 16.598 -36.669 1.00 0.00 C ATOM 414 O HIS A 30 -6.234 17.451 -37.135 1.00 0.00 O ATOM 415 CB HIS A 30 -9.425 16.870 -36.162 1.00 0.00 C ATOM 416 CG HIS A 30 -10.729 17.321 -36.746 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.654 16.450 -37.283 1.00 0.00 N ATOM 418 CD2 HIS A 30 -11.261 18.559 -36.873 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.698 17.134 -37.717 1.00 0.00 C ATOM 420 NE2 HIS A 30 -12.485 18.415 -37.479 1.00 0.00 N ATOM 0 H HIS A 30 -9.473 14.621 -37.172 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.514 17.052 -38.098 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.610 16.044 -35.476 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.999 17.683 -35.574 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.808 19.487 -36.557 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.576 16.716 -38.187 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -13.126 19.175 -37.708 1.00 0.00 H new ATOM 428 N LEU A 31 -6.640 15.783 -35.680 1.00 0.00 N ATOM 429 CA LEU A 31 -5.315 15.844 -35.072 1.00 0.00 C ATOM 430 C LEU A 31 -4.262 15.245 -36.000 1.00 0.00 C ATOM 431 O LEU A 31 -3.194 15.824 -36.198 1.00 0.00 O ATOM 432 CB LEU A 31 -5.312 15.104 -33.734 1.00 0.00 C ATOM 433 CG LEU A 31 -6.036 15.800 -32.581 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.397 15.164 -32.343 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.194 15.750 -31.314 1.00 0.00 C ATOM 0 H LEU A 31 -7.254 15.072 -35.282 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.068 16.892 -34.901 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.765 14.124 -33.883 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.277 14.935 -33.437 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.188 16.845 -32.852 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.897 15.673 -31.519 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.003 15.252 -33.245 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.268 14.111 -32.094 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.725 16.250 -30.504 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.010 14.711 -31.040 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.243 16.253 -31.489 1.00 0.00 H new ATOM 447 N MET A 32 -4.572 14.084 -36.567 1.00 0.00 N ATOM 448 CA MET A 32 -3.654 13.409 -37.476 1.00 0.00 C ATOM 449 C MET A 32 -3.217 14.343 -38.600 1.00 0.00 C ATOM 450 O MET A 32 -2.083 14.272 -39.074 1.00 0.00 O ATOM 451 CB MET A 32 -4.311 12.158 -38.064 1.00 0.00 C ATOM 452 CG MET A 32 -4.317 10.972 -37.114 1.00 0.00 C ATOM 453 SD MET A 32 -2.817 9.978 -37.235 1.00 0.00 S ATOM 454 CE MET A 32 -2.476 9.667 -35.504 1.00 0.00 C ATOM 0 H MET A 32 -5.452 13.591 -36.413 1.00 0.00 H new ATOM 0 HA MET A 32 -2.772 13.114 -36.908 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.338 12.394 -38.344 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.788 11.878 -38.978 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.429 11.331 -36.091 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.182 10.345 -37.328 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.511 9.170 -35.407 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.453 10.612 -34.962 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.256 9.029 -35.088 1.00 0.00 H new ATOM 464 N ALA A 33 -4.123 15.218 -39.023 1.00 0.00 N ATOM 465 CA ALA A 33 -3.830 16.167 -40.089 1.00 0.00 C ATOM 466 C ALA A 33 -3.067 17.375 -39.555 1.00 0.00 C ATOM 467 O ALA A 33 -2.070 17.798 -40.139 1.00 0.00 O ATOM 468 CB ALA A 33 -5.117 16.612 -40.769 1.00 0.00 C ATOM 0 H ALA A 33 -5.067 15.289 -38.643 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.198 15.667 -40.823 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.883 17.321 -41.563 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.623 15.745 -41.194 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.769 17.089 -40.037 1.00 0.00 H new ATOM 474 N ASN A 34 -3.542 17.924 -38.443 1.00 0.00 N ATOM 475 CA ASN A 34 -2.904 19.085 -37.831 1.00 0.00 C ATOM 476 C ASN A 34 -1.434 18.804 -37.535 1.00 0.00 C ATOM 477 O ASN A 34 -0.614 19.720 -37.484 1.00 0.00 O ATOM 478 CB ASN A 34 -3.631 19.471 -36.541 1.00 0.00 C ATOM 479 CG ASN A 34 -4.636 20.587 -36.756 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.297 21.767 -36.672 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.880 20.216 -37.036 1.00 0.00 N ATOM 0 H ASN A 34 -4.366 17.585 -37.947 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.962 19.915 -38.535 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.143 18.596 -36.140 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.900 19.782 -35.794 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.600 20.922 -37.191 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.116 19.225 -37.096 1.00 0.00 H new ATOM 488 N GLY A 35 -1.107 17.530 -37.341 1.00 0.00 N ATOM 489 CA GLY A 35 0.264 17.151 -37.053 1.00 0.00 C ATOM 490 C GLY A 35 0.439 16.640 -35.636 1.00 0.00 C ATOM 491 O GLY A 35 1.518 16.757 -35.055 1.00 0.00 O ATOM 0 H GLY A 35 -1.767 16.753 -37.378 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.580 16.380 -37.756 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.916 18.011 -37.209 1.00 0.00 H new ATOM 495 N PHE A 36 -0.626 16.074 -35.077 1.00 0.00 N ATOM 496 CA PHE A 36 -0.586 15.546 -33.719 1.00 0.00 C ATOM 497 C PHE A 36 -0.661 14.022 -33.725 1.00 0.00 C ATOM 498 O PHE A 36 -1.713 13.441 -33.458 1.00 0.00 O ATOM 499 CB PHE A 36 -1.737 16.122 -32.891 1.00 0.00 C ATOM 500 CG PHE A 36 -1.362 17.352 -32.116 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.519 17.266 -31.020 1.00 0.00 C ATOM 502 CD2 PHE A 36 -1.852 18.595 -32.483 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.171 18.396 -30.305 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.508 19.729 -31.772 1.00 0.00 C ATOM 505 CZ PHE A 36 -0.667 19.629 -30.681 1.00 0.00 C ATOM 0 H PHE A 36 -1.527 15.970 -35.544 1.00 0.00 H new ATOM 0 HA PHE A 36 0.361 15.843 -33.268 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.568 16.360 -33.555 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.092 15.360 -32.197 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.129 16.304 -30.721 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.511 18.679 -33.335 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.488 18.315 -29.453 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.896 20.692 -32.069 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.398 20.513 -30.123 1.00 0.00 H new ATOM 515 N ASP A 37 0.461 13.382 -34.032 1.00 0.00 N ATOM 516 CA ASP A 37 0.524 11.925 -34.074 1.00 0.00 C ATOM 517 C ASP A 37 1.277 11.379 -32.865 1.00 0.00 C ATOM 518 O ASP A 37 1.875 10.306 -32.926 1.00 0.00 O ATOM 519 CB ASP A 37 1.199 11.459 -35.364 1.00 0.00 C ATOM 520 CG ASP A 37 2.489 12.205 -35.645 1.00 0.00 C ATOM 521 OD1 ASP A 37 3.529 11.829 -35.067 1.00 0.00 O ATOM 522 OD2 ASP A 37 2.457 13.166 -36.443 1.00 0.00 O ATOM 0 H ASP A 37 1.340 13.849 -34.256 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.496 11.541 -34.048 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.408 10.391 -35.296 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.513 11.597 -36.200 1.00 0.00 H new ATOM 527 N ASN A 38 1.245 12.127 -31.766 1.00 0.00 N ATOM 528 CA ASN A 38 1.926 11.719 -30.543 1.00 0.00 C ATOM 529 C ASN A 38 1.046 11.967 -29.322 1.00 0.00 C ATOM 530 O ASN A 38 1.160 12.999 -28.660 1.00 0.00 O ATOM 531 CB ASN A 38 3.249 12.474 -30.395 1.00 0.00 C ATOM 532 CG ASN A 38 4.447 11.621 -30.764 1.00 0.00 C ATOM 533 OD1 ASN A 38 4.605 11.220 -31.917 1.00 0.00 O ATOM 534 ND2 ASN A 38 5.297 11.340 -29.784 1.00 0.00 N ATOM 0 H ASN A 38 0.755 13.019 -31.698 1.00 0.00 H new ATOM 0 HA ASN A 38 2.131 10.651 -30.610 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.230 13.362 -31.027 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.355 12.818 -29.366 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.122 10.770 -29.972 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.126 11.694 -28.843 1.00 0.00 H new ATOM 541 N VAL A 39 0.170 11.012 -29.028 1.00 0.00 N ATOM 542 CA VAL A 39 -0.729 11.125 -27.885 1.00 0.00 C ATOM 543 C VAL A 39 0.052 11.217 -26.579 1.00 0.00 C ATOM 544 O VAL A 39 -0.393 11.851 -25.622 1.00 0.00 O ATOM 545 CB VAL A 39 -1.694 9.927 -27.809 1.00 0.00 C ATOM 546 CG1 VAL A 39 -0.935 8.649 -27.484 1.00 0.00 C ATOM 547 CG2 VAL A 39 -2.784 10.185 -26.780 1.00 0.00 C ATOM 0 H VAL A 39 0.063 10.151 -29.565 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.306 12.039 -28.026 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.167 9.802 -28.783 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.633 7.814 -27.434 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.195 8.458 -28.261 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.432 8.759 -26.523 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.457 9.328 -26.740 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.331 10.337 -25.800 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.347 11.075 -27.061 1.00 0.00 H new ATOM 557 N GLN A 40 1.219 10.582 -26.547 1.00 0.00 N ATOM 558 CA GLN A 40 2.062 10.593 -25.357 1.00 0.00 C ATOM 559 C GLN A 40 2.472 12.016 -24.994 1.00 0.00 C ATOM 560 O GLN A 40 2.624 12.348 -23.818 1.00 0.00 O ATOM 561 CB GLN A 40 3.307 9.732 -25.581 1.00 0.00 C ATOM 562 CG GLN A 40 4.162 10.192 -26.751 1.00 0.00 C ATOM 563 CD GLN A 40 5.489 10.778 -26.309 1.00 0.00 C ATOM 564 OE1 GLN A 40 5.541 11.872 -25.747 1.00 0.00 O ATOM 565 NE2 GLN A 40 6.571 10.051 -26.562 1.00 0.00 N ATOM 0 H GLN A 40 1.602 10.054 -27.331 1.00 0.00 H new ATOM 0 HA GLN A 40 1.486 10.178 -24.530 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.912 9.740 -24.674 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.999 8.700 -25.750 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.345 9.348 -27.416 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.613 10.938 -27.326 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.482 9.149 -27.030 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.492 10.394 -26.288 1.00 0.00 H new ATOM 574 N PHE A 41 2.649 12.853 -26.010 1.00 0.00 N ATOM 575 CA PHE A 41 3.043 14.241 -25.798 1.00 0.00 C ATOM 576 C PHE A 41 1.918 15.030 -25.134 1.00 0.00 C ATOM 577 O PHE A 41 2.157 15.833 -24.233 1.00 0.00 O ATOM 578 CB PHE A 41 3.424 14.895 -27.128 1.00 0.00 C ATOM 579 CG PHE A 41 4.891 15.189 -27.253 1.00 0.00 C ATOM 580 CD1 PHE A 41 5.522 16.031 -26.351 1.00 0.00 C ATOM 581 CD2 PHE A 41 5.640 14.624 -28.273 1.00 0.00 C ATOM 582 CE1 PHE A 41 6.873 16.303 -26.464 1.00 0.00 C ATOM 583 CE2 PHE A 41 6.990 14.893 -28.390 1.00 0.00 C ATOM 584 CZ PHE A 41 7.607 15.734 -27.485 1.00 0.00 C ATOM 0 H PHE A 41 2.526 12.595 -26.989 1.00 0.00 H new ATOM 0 HA PHE A 41 3.909 14.249 -25.136 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.122 14.240 -27.945 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.865 15.824 -27.240 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.952 16.480 -25.551 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.163 13.966 -28.984 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.353 16.960 -25.754 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.563 14.446 -29.189 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.662 15.946 -27.576 1.00 0.00 H new ATOM 594 N MET A 42 0.691 14.795 -25.587 1.00 0.00 N ATOM 595 CA MET A 42 -0.471 15.483 -25.037 1.00 0.00 C ATOM 596 C MET A 42 -0.520 15.339 -23.519 1.00 0.00 C ATOM 597 O MET A 42 -0.503 14.229 -22.990 1.00 0.00 O ATOM 598 CB MET A 42 -1.757 14.930 -25.655 1.00 0.00 C ATOM 599 CG MET A 42 -1.846 15.135 -27.158 1.00 0.00 C ATOM 600 SD MET A 42 -3.465 14.700 -27.824 1.00 0.00 S ATOM 601 CE MET A 42 -2.996 13.640 -29.189 1.00 0.00 C ATOM 0 H MET A 42 0.476 14.134 -26.333 1.00 0.00 H new ATOM 0 HA MET A 42 -0.385 16.542 -25.281 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.826 13.864 -25.437 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.614 15.408 -25.180 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.629 16.177 -27.392 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.082 14.533 -27.649 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.395 14.046 -30.119 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.909 13.588 -29.253 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.398 12.640 -29.028 1.00 0.00 H new ATOM 643 N VAL A 46 0.516 21.286 -24.069 1.00 0.00 N ATOM 644 CA VAL A 46 0.153 21.179 -25.477 1.00 0.00 C ATOM 645 C VAL A 46 -1.287 20.705 -25.639 1.00 0.00 C ATOM 646 O VAL A 46 -1.814 19.988 -24.789 1.00 0.00 O ATOM 647 CB VAL A 46 1.088 20.211 -26.226 1.00 0.00 C ATOM 648 CG1 VAL A 46 0.893 18.787 -25.727 1.00 0.00 C ATOM 649 CG2 VAL A 46 0.852 20.297 -27.726 1.00 0.00 C ATOM 0 HA VAL A 46 0.255 22.176 -25.906 1.00 0.00 H new ATOM 0 HB VAL A 46 2.119 20.502 -26.027 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.562 18.117 -26.268 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.117 18.741 -24.661 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.140 18.481 -25.894 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.521 19.607 -28.240 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.182 20.033 -27.947 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.048 21.313 -28.067 1.00 0.00 H new ATOM 659 N MET A 47 -1.918 21.109 -26.736 1.00 0.00 N ATOM 660 CA MET A 47 -3.297 20.723 -27.011 1.00 0.00 C ATOM 661 C MET A 47 -4.239 21.280 -25.948 1.00 0.00 C ATOM 662 O MET A 47 -5.131 20.580 -25.469 1.00 0.00 O ATOM 663 CB MET A 47 -3.421 19.200 -27.071 1.00 0.00 C ATOM 664 CG MET A 47 -4.587 18.717 -27.918 1.00 0.00 C ATOM 665 SD MET A 47 -4.346 19.034 -29.677 1.00 0.00 S ATOM 666 CE MET A 47 -5.472 20.404 -29.931 1.00 0.00 C ATOM 0 H MET A 47 -1.496 21.704 -27.449 1.00 0.00 H new ATOM 0 HA MET A 47 -3.579 21.141 -27.977 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.496 18.784 -27.470 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.534 18.813 -26.058 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.726 17.647 -27.761 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.501 19.210 -27.586 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.077 21.061 -30.706 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.445 20.023 -30.240 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.580 20.964 -29.002 1.00 0.00 H new ATOM 676 N GLU A 48 -4.034 22.542 -25.584 1.00 0.00 N ATOM 677 CA GLU A 48 -4.865 23.191 -24.577 1.00 0.00 C ATOM 678 C GLU A 48 -6.234 23.549 -25.149 1.00 0.00 C ATOM 679 O GLU A 48 -6.543 23.226 -26.296 1.00 0.00 O ATOM 680 CB GLU A 48 -4.175 24.450 -24.048 1.00 0.00 C ATOM 681 CG GLU A 48 -2.705 24.248 -23.722 1.00 0.00 C ATOM 682 CD GLU A 48 -2.244 25.101 -22.556 1.00 0.00 C ATOM 683 OE1 GLU A 48 -2.954 26.068 -22.210 1.00 0.00 O ATOM 684 OE2 GLU A 48 -1.172 24.800 -21.990 1.00 0.00 O ATOM 0 H GLU A 48 -3.300 23.135 -25.971 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.007 22.491 -23.754 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.268 25.244 -24.789 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.694 24.789 -23.151 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.529 23.197 -23.491 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.106 24.486 -24.601 1.00 0.00 H new ATOM 691 N ASP A 49 -7.049 24.218 -24.342 1.00 0.00 N ATOM 692 CA ASP A 49 -8.384 24.622 -24.767 1.00 0.00 C ATOM 693 C ASP A 49 -8.325 25.405 -26.074 1.00 0.00 C ATOM 694 O ASP A 49 -9.113 25.164 -26.989 1.00 0.00 O ATOM 695 CB ASP A 49 -9.055 25.466 -23.682 1.00 0.00 C ATOM 696 CG ASP A 49 -10.521 25.721 -23.970 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.300 24.745 -23.997 1.00 0.00 O ATOM 698 OD2 ASP A 49 -10.890 26.897 -24.169 1.00 0.00 O ATOM 0 H ASP A 49 -6.809 24.492 -23.389 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.974 23.720 -24.931 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.959 24.960 -22.721 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.534 26.419 -23.593 1.00 0.00 H new ATOM 703 N GLN A 50 -7.387 26.343 -26.154 1.00 0.00 N ATOM 704 CA GLN A 50 -7.227 27.163 -27.349 1.00 0.00 C ATOM 705 C GLN A 50 -6.730 26.325 -28.522 1.00 0.00 C ATOM 706 O GLN A 50 -7.209 26.467 -29.647 1.00 0.00 O ATOM 707 CB GLN A 50 -6.254 28.312 -27.079 1.00 0.00 C ATOM 708 CG GLN A 50 -6.941 29.631 -26.765 1.00 0.00 C ATOM 709 CD GLN A 50 -7.783 30.140 -27.918 1.00 0.00 C ATOM 710 OE1 GLN A 50 -7.781 29.562 -29.006 1.00 0.00 O ATOM 711 NE2 GLN A 50 -8.509 31.227 -27.687 1.00 0.00 N ATOM 0 H GLN A 50 -6.727 26.554 -25.406 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.202 27.576 -27.608 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.608 28.041 -26.244 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.612 28.445 -27.949 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.573 29.507 -25.886 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.188 30.378 -26.513 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.481 31.674 -26.771 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.095 31.615 -28.426 1.00 0.00 H new ATOM 720 N ASP A 51 -5.766 25.451 -28.251 1.00 0.00 N ATOM 721 CA ASP A 51 -5.204 24.589 -29.284 1.00 0.00 C ATOM 722 C ASP A 51 -6.295 23.757 -29.951 1.00 0.00 C ATOM 723 O ASP A 51 -6.205 23.428 -31.135 1.00 0.00 O ATOM 724 CB ASP A 51 -4.138 23.669 -28.686 1.00 0.00 C ATOM 725 CG ASP A 51 -3.016 24.441 -28.020 1.00 0.00 C ATOM 726 OD1 ASP A 51 -3.028 25.688 -28.092 1.00 0.00 O ATOM 727 OD2 ASP A 51 -2.126 23.798 -27.426 1.00 0.00 O ATOM 0 H ASP A 51 -5.358 25.321 -27.325 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.743 25.224 -30.041 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.602 23.006 -27.956 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.724 23.038 -29.472 1.00 0.00 H new ATOM 732 N LEU A 52 -7.325 23.418 -29.184 1.00 0.00 N ATOM 733 CA LEU A 52 -8.435 22.623 -29.699 1.00 0.00 C ATOM 734 C LEU A 52 -9.298 23.445 -30.650 1.00 0.00 C ATOM 735 O LEU A 52 -9.947 22.900 -31.545 1.00 0.00 O ATOM 736 CB LEU A 52 -9.288 22.094 -28.545 1.00 0.00 C ATOM 737 CG LEU A 52 -8.688 20.941 -27.739 1.00 0.00 C ATOM 738 CD1 LEU A 52 -9.290 20.895 -26.344 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.903 19.618 -28.459 1.00 0.00 C ATOM 0 H LEU A 52 -7.415 23.681 -28.203 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.020 21.780 -30.252 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.493 22.919 -27.863 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.247 21.768 -28.948 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.615 21.109 -27.644 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.851 20.068 -25.785 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.083 21.832 -25.827 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.368 20.751 -26.417 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.470 18.809 -27.871 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.971 19.442 -28.586 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.422 19.654 -29.437 1.00 0.00 H new ATOM 751 N LEU A 53 -9.301 24.759 -30.453 1.00 0.00 N ATOM 752 CA LEU A 53 -10.083 25.657 -31.295 1.00 0.00 C ATOM 753 C LEU A 53 -9.333 25.988 -32.581 1.00 0.00 C ATOM 754 O LEU A 53 -9.943 26.296 -33.604 1.00 0.00 O ATOM 755 CB LEU A 53 -10.409 26.945 -30.535 1.00 0.00 C ATOM 756 CG LEU A 53 -11.065 28.058 -31.352 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.485 27.671 -31.737 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.059 29.365 -30.574 1.00 0.00 C ATOM 0 H LEU A 53 -8.771 25.226 -29.717 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.012 25.152 -31.558 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.068 26.696 -29.703 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.486 27.333 -30.105 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.488 28.200 -32.266 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.936 28.475 -32.318 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.464 26.759 -32.334 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.073 27.501 -30.835 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.530 30.146 -31.171 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.612 29.237 -29.643 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.031 29.650 -30.349 1.00 0.00 H new ATOM 770 N GLU A 54 -8.007 25.921 -32.522 1.00 0.00 N ATOM 771 CA GLU A 54 -7.174 26.212 -33.683 1.00 0.00 C ATOM 772 C GLU A 54 -7.176 25.041 -34.661 1.00 0.00 C ATOM 773 O GLU A 54 -7.283 25.231 -35.873 1.00 0.00 O ATOM 774 CB GLU A 54 -5.742 26.524 -33.246 1.00 0.00 C ATOM 775 CG GLU A 54 -5.659 27.471 -32.061 1.00 0.00 C ATOM 776 CD GLU A 54 -4.729 28.642 -32.313 1.00 0.00 C ATOM 777 OE1 GLU A 54 -4.786 29.218 -33.419 1.00 0.00 O ATOM 778 OE2 GLU A 54 -3.944 28.981 -31.403 1.00 0.00 O ATOM 0 H GLU A 54 -7.486 25.668 -31.682 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.590 27.084 -34.187 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.238 25.592 -32.991 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.201 26.959 -34.087 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.656 27.847 -31.831 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.315 26.921 -31.185 1.00 0.00 H new ATOM 785 N ILE A 55 -7.056 23.831 -34.126 1.00 0.00 N ATOM 786 CA ILE A 55 -7.044 22.629 -34.951 1.00 0.00 C ATOM 787 C ILE A 55 -8.307 22.532 -35.799 1.00 0.00 C ATOM 788 O ILE A 55 -8.311 21.901 -36.856 1.00 0.00 O ATOM 789 CB ILE A 55 -6.917 21.358 -34.091 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.016 21.323 -33.028 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.542 21.292 -33.443 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.203 19.962 -32.395 1.00 0.00 C ATOM 0 H ILE A 55 -6.966 23.657 -33.125 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.175 22.703 -35.605 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.035 20.487 -34.736 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.779 22.047 -32.249 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.957 21.637 -33.480 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.468 20.388 -32.838 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.775 21.275 -34.218 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.397 22.166 -32.808 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.998 20.013 -31.651 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.471 19.237 -33.164 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.275 19.654 -31.913 1.00 0.00 H new ATOM 804 N GLY A 56 -9.379 23.163 -35.330 1.00 0.00 N ATOM 805 CA GLY A 56 -10.634 23.137 -36.059 1.00 0.00 C ATOM 806 C GLY A 56 -11.823 22.879 -35.155 1.00 0.00 C ATOM 807 O GLY A 56 -12.878 23.494 -35.316 1.00 0.00 O ATOM 0 H GLY A 56 -9.401 23.692 -34.458 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.772 24.088 -36.573 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.590 22.364 -36.826 1.00 0.00 H new ATOM 811 N ILE A 57 -11.655 21.966 -34.205 1.00 0.00 N ATOM 812 CA ILE A 57 -12.724 21.628 -33.273 1.00 0.00 C ATOM 813 C ILE A 57 -13.292 22.878 -32.611 1.00 0.00 C ATOM 814 O ILE A 57 -12.618 23.534 -31.815 1.00 0.00 O ATOM 815 CB ILE A 57 -12.234 20.660 -32.181 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.677 19.383 -32.813 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.365 20.330 -31.218 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.058 18.433 -31.812 1.00 0.00 C ATOM 0 H ILE A 57 -10.789 21.447 -34.060 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.506 21.140 -33.854 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.435 21.144 -31.620 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.480 18.869 -33.341 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.928 19.653 -33.557 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.002 19.645 -30.452 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.720 21.246 -30.746 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.184 19.862 -31.765 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.684 17.550 -32.331 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.233 18.930 -31.301 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.810 18.133 -31.082 1.00 0.00 H new ATOM 830 N LEU A 58 -14.537 23.204 -32.943 1.00 0.00 N ATOM 831 CA LEU A 58 -15.198 24.375 -32.379 1.00 0.00 C ATOM 832 C LEU A 58 -16.157 23.975 -31.262 1.00 0.00 C ATOM 833 O LEU A 58 -16.385 24.736 -30.324 1.00 0.00 O ATOM 834 CB LEU A 58 -15.956 25.133 -33.470 1.00 0.00 C ATOM 835 CG LEU A 58 -15.172 25.428 -34.750 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.001 26.282 -35.698 1.00 0.00 C ATOM 837 CD2 LEU A 58 -13.856 26.117 -34.422 1.00 0.00 C ATOM 0 H LEU A 58 -15.109 22.673 -33.600 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.431 25.026 -31.959 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.843 24.557 -33.735 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.303 26.079 -33.054 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.951 24.482 -35.244 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.428 26.482 -36.603 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.917 25.752 -35.958 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.253 27.225 -35.212 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.311 26.319 -35.344 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.056 27.056 -33.905 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.257 25.470 -33.781 1.00 0.00 H new ATOM 849 N ASN A 59 -16.714 22.773 -31.371 1.00 0.00 N ATOM 850 CA ASN A 59 -17.647 22.270 -30.369 1.00 0.00 C ATOM 851 C ASN A 59 -17.051 22.376 -28.969 1.00 0.00 C ATOM 852 O ASN A 59 -16.196 21.578 -28.584 1.00 0.00 O ATOM 853 CB ASN A 59 -18.015 20.815 -30.670 1.00 0.00 C ATOM 854 CG ASN A 59 -19.261 20.699 -31.527 1.00 0.00 C ATOM 855 OD1 ASN A 59 -19.196 20.275 -32.681 1.00 0.00 O ATOM 856 ND2 ASN A 59 -20.403 21.078 -30.965 1.00 0.00 N ATOM 0 H ASN A 59 -16.536 22.130 -32.142 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.548 22.882 -30.408 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.181 20.330 -31.178 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.171 20.281 -29.733 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -21.274 21.024 -31.493 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.409 21.423 -30.005 1.00 0.00 H new ATOM 863 N SER A 60 -17.510 23.367 -28.210 1.00 0.00 N ATOM 864 CA SER A 60 -17.021 23.580 -26.853 1.00 0.00 C ATOM 865 C SER A 60 -17.326 22.374 -25.970 1.00 0.00 C ATOM 866 O SER A 60 -16.508 21.972 -25.144 1.00 0.00 O ATOM 867 CB SER A 60 -17.650 24.838 -26.253 1.00 0.00 C ATOM 868 OG SER A 60 -16.827 25.972 -26.467 1.00 0.00 O ATOM 0 H SER A 60 -18.220 24.035 -28.512 1.00 0.00 H new ATOM 0 HA SER A 60 -15.940 23.710 -26.899 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.630 25.007 -26.699 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.807 24.695 -25.184 1.00 0.00 H new ATOM 0 HG SER A 60 -17.252 26.763 -26.076 1.00 0.00 H new ATOM 874 N GLY A 61 -18.512 21.800 -26.151 1.00 0.00 N ATOM 875 CA GLY A 61 -18.906 20.646 -25.364 1.00 0.00 C ATOM 876 C GLY A 61 -17.942 19.486 -25.513 1.00 0.00 C ATOM 877 O GLY A 61 -17.753 18.703 -24.582 1.00 0.00 O ATOM 0 H GLY A 61 -19.207 22.114 -26.829 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.968 20.930 -24.314 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.903 20.327 -25.667 1.00 0.00 H new ATOM 881 N HIS A 62 -17.330 19.374 -26.688 1.00 0.00 N ATOM 882 CA HIS A 62 -16.380 18.300 -26.957 1.00 0.00 C ATOM 883 C HIS A 62 -14.959 18.734 -26.613 1.00 0.00 C ATOM 884 O HIS A 62 -14.106 17.905 -26.296 1.00 0.00 O ATOM 885 CB HIS A 62 -16.457 17.878 -28.424 1.00 0.00 C ATOM 886 CG HIS A 62 -17.754 17.227 -28.793 1.00 0.00 C ATOM 887 ND1 HIS A 62 -18.019 16.739 -30.055 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.864 16.983 -28.057 1.00 0.00 C ATOM 889 CE1 HIS A 62 -19.236 16.225 -30.080 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.770 16.360 -28.879 1.00 0.00 N ATOM 0 H HIS A 62 -17.475 20.014 -27.469 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.643 17.449 -26.329 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.308 18.755 -29.054 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.640 17.189 -28.639 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -19.010 17.232 -27.016 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.713 15.772 -30.936 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.703 16.052 -28.607 1.00 0.00 H new ATOM 898 N ARG A 63 -14.710 20.038 -26.680 1.00 0.00 N ATOM 899 CA ARG A 63 -13.391 20.581 -26.379 1.00 0.00 C ATOM 900 C ARG A 63 -12.983 20.252 -24.946 1.00 0.00 C ATOM 901 O ARG A 63 -11.804 20.041 -24.660 1.00 0.00 O ATOM 902 CB ARG A 63 -13.380 22.096 -26.588 1.00 0.00 C ATOM 903 CG ARG A 63 -13.134 22.510 -28.030 1.00 0.00 C ATOM 904 CD ARG A 63 -12.489 23.885 -28.113 1.00 0.00 C ATOM 905 NE ARG A 63 -13.362 24.931 -27.587 1.00 0.00 N ATOM 906 CZ ARG A 63 -12.928 26.128 -27.208 1.00 0.00 C ATOM 907 NH1 ARG A 63 -11.640 26.429 -27.298 1.00 0.00 N ATOM 908 NH2 ARG A 63 -13.783 27.028 -26.739 1.00 0.00 N ATOM 0 H ARG A 63 -15.405 20.738 -26.940 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.673 20.122 -27.058 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.334 22.507 -26.259 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.609 22.536 -25.956 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.492 21.776 -28.516 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.079 22.517 -28.574 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.552 23.880 -27.556 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.241 24.107 -29.151 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.359 24.732 -27.506 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.979 25.741 -27.659 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.310 27.349 -27.006 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.775 26.801 -26.669 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.448 27.947 -26.448 1.00 0.00 H new ATOM 922 N GLN A 64 -13.964 20.211 -24.050 1.00 0.00 N ATOM 923 CA GLN A 64 -13.706 19.909 -22.647 1.00 0.00 C ATOM 924 C GLN A 64 -13.478 18.415 -22.445 1.00 0.00 C ATOM 925 O GLN A 64 -12.576 18.008 -21.713 1.00 0.00 O ATOM 926 CB GLN A 64 -14.873 20.382 -21.779 1.00 0.00 C ATOM 927 CG GLN A 64 -15.082 21.887 -21.808 1.00 0.00 C ATOM 928 CD GLN A 64 -14.869 22.532 -20.452 1.00 0.00 C ATOM 929 OE1 GLN A 64 -13.975 23.361 -20.280 1.00 0.00 O ATOM 930 NE2 GLN A 64 -15.691 22.154 -19.480 1.00 0.00 N ATOM 0 H GLN A 64 -14.945 20.383 -24.271 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.802 20.439 -22.347 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.786 19.890 -22.114 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.700 20.067 -20.750 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.396 22.331 -22.529 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.093 22.103 -22.154 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -16.418 21.464 -19.667 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.595 22.554 -18.547 1.00 0.00 H new ATOM 939 N ARG A 65 -14.302 17.602 -23.098 1.00 0.00 N ATOM 940 CA ARG A 65 -14.191 16.152 -22.989 1.00 0.00 C ATOM 941 C ARG A 65 -12.777 15.688 -23.324 1.00 0.00 C ATOM 942 O ARG A 65 -12.291 14.699 -22.775 1.00 0.00 O ATOM 943 CB ARG A 65 -15.197 15.471 -23.918 1.00 0.00 C ATOM 944 CG ARG A 65 -16.601 15.391 -23.341 1.00 0.00 C ATOM 945 CD ARG A 65 -17.385 14.234 -23.942 1.00 0.00 C ATOM 946 NE ARG A 65 -18.061 13.441 -22.918 1.00 0.00 N ATOM 947 CZ ARG A 65 -17.436 12.581 -22.122 1.00 0.00 C ATOM 948 NH1 ARG A 65 -16.126 12.404 -22.231 1.00 0.00 N ATOM 949 NH2 ARG A 65 -18.120 11.897 -21.215 1.00 0.00 N ATOM 0 H ARG A 65 -15.054 17.923 -23.708 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.412 15.872 -21.959 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.232 16.014 -24.863 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.847 14.463 -24.142 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.545 15.271 -22.259 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -17.128 16.326 -23.531 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.122 14.622 -24.645 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.709 13.594 -24.509 1.00 0.00 H new ATOM 0 HE ARG A 65 -19.069 13.554 -22.808 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.597 12.929 -22.927 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -15.648 11.743 -21.619 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -19.127 12.031 -21.128 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.639 11.237 -20.604 1.00 0.00 H new ATOM 963 N ILE A 66 -12.123 16.408 -24.229 1.00 0.00 N ATOM 964 CA ILE A 66 -10.765 16.070 -24.637 1.00 0.00 C ATOM 965 C ILE A 66 -9.740 16.628 -23.655 1.00 0.00 C ATOM 966 O ILE A 66 -8.755 15.967 -23.326 1.00 0.00 O ATOM 967 CB ILE A 66 -10.451 16.605 -26.047 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.450 16.045 -27.062 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.027 16.247 -26.445 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.408 16.747 -28.402 1.00 0.00 C ATOM 0 H ILE A 66 -12.511 17.229 -24.694 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.701 14.982 -24.647 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.542 17.691 -26.036 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.249 14.984 -27.210 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.456 16.124 -26.651 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.821 16.632 -27.444 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.329 16.689 -25.734 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.910 15.163 -26.443 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.142 16.298 -29.071 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.639 17.804 -28.267 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.413 16.646 -28.835 1.00 0.00 H new ATOM 982 N LEU A 67 -9.981 17.849 -23.188 1.00 0.00 N ATOM 983 CA LEU A 67 -9.080 18.497 -22.241 1.00 0.00 C ATOM 984 C LEU A 67 -8.859 17.619 -21.013 1.00 0.00 C ATOM 985 O LEU A 67 -7.760 17.577 -20.459 1.00 0.00 O ATOM 986 CB LEU A 67 -9.644 19.854 -21.818 1.00 0.00 C ATOM 987 CG LEU A 67 -9.113 21.069 -22.579 1.00 0.00 C ATOM 988 CD1 LEU A 67 -10.034 22.263 -22.389 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.699 21.406 -22.127 1.00 0.00 C ATOM 0 H LEU A 67 -10.792 18.409 -23.450 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.120 18.648 -22.734 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.728 19.825 -21.930 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.437 19.996 -20.757 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.085 20.824 -23.641 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.639 23.118 -22.938 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.028 22.019 -22.763 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.096 22.510 -21.329 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.337 22.273 -22.679 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.702 21.630 -21.060 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.044 20.556 -22.317 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.909 16.920 -20.595 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.828 16.043 -19.433 1.00 0.00 C ATOM 1003 C GLN A 68 -8.916 14.852 -19.712 1.00 0.00 C ATOM 1004 O GLN A 68 -7.989 14.576 -18.952 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.222 15.552 -19.040 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.825 16.307 -17.867 1.00 0.00 C ATOM 1007 CD GLN A 68 -12.360 17.669 -18.263 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -13.451 17.783 -18.822 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -11.591 18.714 -17.975 1.00 0.00 N ATOM 0 H GLN A 68 -10.825 16.944 -21.043 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.406 16.615 -18.607 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.886 15.643 -19.900 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.168 14.492 -18.790 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.632 15.715 -17.435 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.069 16.429 -17.091 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.694 18.574 -17.511 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.898 19.656 -18.218 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.188 14.150 -20.808 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.391 12.990 -21.188 1.00 0.00 C ATOM 1020 C ALA A 69 -6.913 13.349 -21.291 1.00 0.00 C ATOM 1021 O ALA A 69 -6.049 12.595 -20.841 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.890 12.417 -22.506 1.00 0.00 C ATOM 0 H ALA A 69 -9.953 14.364 -21.447 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.501 12.234 -20.410 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.286 11.551 -22.778 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.932 12.114 -22.400 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.810 13.175 -23.286 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.629 14.503 -21.885 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.255 14.961 -22.046 1.00 0.00 C ATOM 1030 C ILE A 70 -4.619 15.277 -20.696 1.00 0.00 C ATOM 1031 O ILE A 70 -3.410 15.131 -20.520 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.179 16.211 -22.942 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.781 15.917 -24.317 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.738 16.680 -23.077 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -6.106 17.161 -25.114 1.00 0.00 C ATOM 0 H ILE A 70 -7.332 15.138 -22.263 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.706 14.149 -22.523 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.757 17.009 -22.476 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.083 15.303 -24.886 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.690 15.330 -24.188 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.701 17.564 -23.713 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.341 16.925 -22.092 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.138 15.887 -23.523 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.529 16.876 -26.077 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.828 17.766 -24.566 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.196 17.739 -25.274 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.443 15.709 -19.747 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.961 16.045 -18.412 1.00 0.00 C ATOM 1049 C GLN A 71 -4.560 14.789 -17.646 1.00 0.00 C ATOM 1050 O GLN A 71 -3.667 14.824 -16.799 1.00 0.00 O ATOM 1051 CB GLN A 71 -6.035 16.809 -17.636 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.812 18.312 -17.607 1.00 0.00 C ATOM 1053 CD GLN A 71 -6.396 18.965 -16.370 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -7.597 18.877 -16.115 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -5.546 19.626 -15.593 1.00 0.00 N ATOM 0 H GLN A 71 -6.447 15.835 -19.877 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.081 16.679 -18.520 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.008 16.603 -18.081 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.067 16.435 -16.613 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.742 18.518 -17.651 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.259 18.759 -18.495 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.558 19.673 -15.843 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.881 20.086 -14.747 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.225 13.679 -17.949 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.938 12.411 -17.289 1.00 0.00 C ATOM 1066 C LEU A 72 -3.715 11.740 -17.906 1.00 0.00 C ATOM 1067 O LEU A 72 -3.015 10.972 -17.245 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.147 11.479 -17.385 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.447 12.000 -16.770 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.601 11.061 -17.085 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.293 12.173 -15.266 1.00 0.00 C ATOM 0 H LEU A 72 -5.967 13.632 -18.648 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.726 12.616 -16.240 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.329 11.260 -18.437 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.893 10.536 -16.902 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.669 12.974 -17.207 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.517 11.448 -16.639 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.726 10.988 -18.165 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.388 10.073 -16.677 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.227 12.544 -14.845 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.047 11.213 -14.813 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.494 12.886 -15.062 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.462 12.036 -19.176 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.321 11.464 -19.882 1.00 0.00 C ATOM 1085 C LEU A 73 -1.028 11.695 -19.106 1.00 0.00 C ATOM 1086 O LEU A 73 -0.934 12.584 -18.260 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.205 12.072 -21.281 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.089 11.447 -22.361 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.001 12.246 -23.652 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.693 9.997 -22.601 1.00 0.00 C ATOM 0 H LEU A 73 -4.032 12.669 -19.738 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.482 10.390 -19.971 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.443 13.134 -21.215 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.166 11.998 -21.602 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.122 11.468 -22.015 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.637 11.786 -24.409 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.334 13.268 -23.471 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.969 12.257 -24.003 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.332 9.568 -23.373 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.653 9.953 -22.925 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.809 9.430 -21.677 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.007 10.877 -19.401 1.00 0.00 N ATOM 1103 CA PRO A 74 1.300 10.974 -18.744 1.00 0.00 C ATOM 1104 C PRO A 74 2.061 12.232 -19.150 1.00 0.00 C ATOM 1105 O PRO A 74 1.526 13.095 -19.845 1.00 0.00 O ATOM 1106 CB PRO A 74 2.036 9.724 -19.231 1.00 0.00 C ATOM 1107 CG PRO A 74 1.393 9.389 -20.533 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.048 9.795 -20.400 1.00 0.00 C ATOM 0 HA PRO A 74 1.207 11.035 -17.660 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.102 9.915 -19.353 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.939 8.905 -18.519 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.874 9.921 -21.354 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.480 8.324 -20.749 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.458 10.140 -21.349 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.670 8.964 -20.067 1.00 0.00 H new