USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 405 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 36 TYR OH : rot 180:sc= 0.0122 USER MOD Set 1.2: A 41 GLN : amide:sc= 0.95 X(o=0.96,f=0.94) USER MOD Set 2.1: A 18 TYR OH : rot -59:sc= 2 USER MOD Set 2.2: A 43 TYR OH : rot 171:sc= 0.97 USER MOD Set 3.1: A 17 THR OG1 : rot -140:sc= 0.038 USER MOD Set 3.2: A 31 GLN : amide:sc= -0.273 K(o=-0.24,f=-3.5!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0882 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 93:sc= -0.347 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0759 X(o=-0.076,f=-0.53) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0912 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0276 K(o=-0.028,f=-1.1) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 50 GLN : amide:sc= 0.0425 X(o=0.042,f=-0.4) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 47:sc= 0.719 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 10 14.612 6.383 0.966 1.00 0.00 N ATOM 135 CA TYR A 10 14.191 4.990 0.860 1.00 0.00 C ATOM 136 C TYR A 10 15.005 4.276 -0.233 1.00 0.00 C ATOM 137 O TYR A 10 15.587 4.954 -1.091 1.00 0.00 O ATOM 138 CB TYR A 10 12.679 4.947 0.611 1.00 0.00 C ATOM 139 CG TYR A 10 11.839 5.093 1.870 1.00 0.00 C ATOM 140 CD1 TYR A 10 11.512 6.367 2.374 1.00 0.00 C ATOM 141 CD2 TYR A 10 11.385 3.946 2.549 1.00 0.00 C ATOM 142 CE1 TYR A 10 10.713 6.493 3.525 1.00 0.00 C ATOM 143 CE2 TYR A 10 10.590 4.062 3.703 1.00 0.00 C ATOM 144 CZ TYR A 10 10.246 5.341 4.197 1.00 0.00 C ATOM 145 OH TYR A 10 9.460 5.471 5.304 1.00 0.00 O ATOM 0 HA TYR A 10 14.387 4.453 1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 10 12.413 5.743 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 10 12.428 4.003 0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 10 11.877 7.252 1.874 1.00 0.00 H new ATOM 0 HD2 TYR A 10 11.650 2.966 2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.456 7.474 3.896 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.243 3.175 4.211 1.00 0.00 H new ATOM 0 HH TYR A 10 9.225 4.583 5.644 1.00 0.00 H new ATOM 155 N PRO A 11 15.052 2.928 -0.235 1.00 0.00 N ATOM 156 CA PRO A 11 15.662 2.138 -1.302 1.00 0.00 C ATOM 157 C PRO A 11 14.861 2.309 -2.599 1.00 0.00 C ATOM 158 O PRO A 11 13.745 2.828 -2.565 1.00 0.00 O ATOM 159 CB PRO A 11 15.664 0.690 -0.796 1.00 0.00 C ATOM 160 CG PRO A 11 14.488 0.644 0.174 1.00 0.00 C ATOM 161 CD PRO A 11 14.476 2.048 0.769 1.00 0.00 C ATOM 0 HA PRO A 11 16.679 2.454 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.537 -0.020 -1.613 1.00 0.00 H new ATOM 0 HB3 PRO A 11 16.602 0.440 -0.300 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.553 0.415 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.628 -0.118 0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.460 2.355 1.017 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.054 2.083 1.693 1.00 0.00 H new ATOM 169 N VAL A 12 15.382 1.836 -3.731 1.00 0.00 N ATOM 170 CA VAL A 12 14.702 1.890 -5.023 1.00 0.00 C ATOM 171 C VAL A 12 14.348 0.447 -5.425 1.00 0.00 C ATOM 172 O VAL A 12 15.149 -0.216 -6.087 1.00 0.00 O ATOM 173 CB VAL A 12 15.548 2.667 -6.054 1.00 0.00 C ATOM 174 CG1 VAL A 12 14.795 2.848 -7.379 1.00 0.00 C ATOM 175 CG2 VAL A 12 15.924 4.065 -5.531 1.00 0.00 C ATOM 0 H VAL A 12 16.302 1.398 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 12 13.769 2.451 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 12 16.448 2.075 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 12 15.421 3.399 -8.081 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.555 1.871 -7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.874 3.403 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 12 16.519 4.586 -6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 12 15.017 4.634 -5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 12 16.503 3.966 -4.613 1.00 0.00 H new ATOM 185 N PRO A 13 13.201 -0.087 -4.962 1.00 0.00 N ATOM 186 CA PRO A 13 12.729 -1.419 -5.317 1.00 0.00 C ATOM 187 C PRO A 13 12.215 -1.454 -6.761 1.00 0.00 C ATOM 188 O PRO A 13 12.192 -0.425 -7.442 1.00 0.00 O ATOM 189 CB PRO A 13 11.604 -1.705 -4.328 1.00 0.00 C ATOM 190 CG PRO A 13 11.002 -0.330 -4.064 1.00 0.00 C ATOM 191 CD PRO A 13 12.238 0.559 -4.084 1.00 0.00 C ATOM 0 HA PRO A 13 13.522 -2.165 -5.264 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.868 -2.392 -4.746 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.981 -2.160 -3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.281 -0.045 -4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.483 -0.288 -3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.992 1.557 -4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.647 0.677 -3.080 1.00 0.00 H new ATOM 199 N ASP A 14 11.779 -2.628 -7.236 1.00 0.00 N ATOM 200 CA ASP A 14 11.326 -2.755 -8.631 1.00 0.00 C ATOM 201 C ASP A 14 10.420 -3.965 -8.867 1.00 0.00 C ATOM 202 O ASP A 14 10.424 -4.575 -9.935 1.00 0.00 O ATOM 203 CB ASP A 14 12.592 -2.888 -9.506 1.00 0.00 C ATOM 204 CG ASP A 14 12.351 -2.428 -10.946 1.00 0.00 C ATOM 205 OD1 ASP A 14 11.782 -1.322 -11.118 1.00 0.00 O ATOM 206 OD2 ASP A 14 12.826 -3.102 -11.888 1.00 0.00 O ATOM 0 H ASP A 14 11.730 -3.488 -6.690 1.00 0.00 H new ATOM 0 HA ASP A 14 10.732 -1.877 -8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.398 -2.299 -9.068 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.922 -3.927 -9.509 1.00 0.00 H new ATOM 211 N VAL A 15 9.641 -4.320 -7.840 1.00 0.00 N ATOM 212 CA VAL A 15 8.766 -5.506 -7.727 1.00 0.00 C ATOM 213 C VAL A 15 9.431 -6.806 -8.256 1.00 0.00 C ATOM 214 O VAL A 15 8.780 -7.783 -8.638 1.00 0.00 O ATOM 215 CB VAL A 15 7.324 -5.167 -8.152 1.00 0.00 C ATOM 216 CG1 VAL A 15 7.240 -4.832 -9.632 1.00 0.00 C ATOM 217 CG2 VAL A 15 6.262 -6.196 -7.735 1.00 0.00 C ATOM 0 H VAL A 15 9.598 -3.746 -6.998 1.00 0.00 H new ATOM 0 HA VAL A 15 8.639 -5.786 -6.681 1.00 0.00 H new ATOM 0 HB VAL A 15 7.071 -4.273 -7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.208 -4.599 -9.894 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.873 -3.971 -9.847 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.579 -5.686 -10.218 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.282 -5.867 -8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.498 -7.163 -8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.252 -6.289 -6.649 1.00 0.00 H new ATOM 227 N SER A 16 10.762 -6.812 -8.274 1.00 0.00 N ATOM 228 CA SER A 16 11.644 -7.842 -8.811 1.00 0.00 C ATOM 229 C SER A 16 12.424 -8.492 -7.660 1.00 0.00 C ATOM 230 O SER A 16 13.021 -9.557 -7.814 1.00 0.00 O ATOM 231 CB SER A 16 12.552 -7.197 -9.867 1.00 0.00 C ATOM 232 OG SER A 16 13.170 -8.164 -10.691 1.00 0.00 O ATOM 0 H SER A 16 11.292 -6.034 -7.882 1.00 0.00 H new ATOM 0 HA SER A 16 11.083 -8.639 -9.299 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.965 -6.516 -10.484 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.317 -6.599 -9.372 1.00 0.00 H new ATOM 0 HG SER A 16 13.739 -7.716 -11.351 1.00 0.00 H new ATOM 238 N THR A 17 12.382 -7.870 -6.478 1.00 0.00 N ATOM 239 CA THR A 17 13.056 -8.334 -5.281 1.00 0.00 C ATOM 240 C THR A 17 12.044 -8.778 -4.214 1.00 0.00 C ATOM 241 O THR A 17 12.467 -9.059 -3.091 1.00 0.00 O ATOM 242 CB THR A 17 14.034 -7.237 -4.778 1.00 0.00 C ATOM 243 OG1 THR A 17 13.392 -6.252 -3.982 1.00 0.00 O ATOM 244 CG2 THR A 17 14.793 -6.500 -5.895 1.00 0.00 C ATOM 0 H THR A 17 11.861 -7.005 -6.333 1.00 0.00 H new ATOM 0 HA THR A 17 13.649 -9.219 -5.512 1.00 0.00 H new ATOM 0 HB THR A 17 14.750 -7.804 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.752 -5.368 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.453 -5.752 -5.455 1.00 0.00 H new ATOM 0 HG22 THR A 17 15.385 -7.215 -6.466 1.00 0.00 H new ATOM 0 HG23 THR A 17 14.080 -6.009 -6.557 1.00 0.00 H new ATOM 252 N TYR A 18 10.736 -8.721 -4.506 1.00 0.00 N ATOM 253 CA TYR A 18 9.660 -8.852 -3.525 1.00 0.00 C ATOM 254 C TYR A 18 9.319 -10.319 -3.266 1.00 0.00 C ATOM 255 O TYR A 18 9.807 -11.233 -3.932 1.00 0.00 O ATOM 256 CB TYR A 18 8.423 -8.059 -3.992 1.00 0.00 C ATOM 257 CG TYR A 18 8.526 -6.546 -3.925 1.00 0.00 C ATOM 258 CD1 TYR A 18 9.709 -5.893 -3.530 1.00 0.00 C ATOM 259 CD2 TYR A 18 7.390 -5.778 -4.233 1.00 0.00 C ATOM 260 CE1 TYR A 18 9.761 -4.496 -3.474 1.00 0.00 C ATOM 261 CE2 TYR A 18 7.423 -4.376 -4.154 1.00 0.00 C ATOM 262 CZ TYR A 18 8.605 -3.729 -3.737 1.00 0.00 C ATOM 263 OH TYR A 18 8.612 -2.387 -3.520 1.00 0.00 O ATOM 0 H TYR A 18 10.394 -8.579 -5.456 1.00 0.00 H new ATOM 0 HA TYR A 18 10.001 -8.433 -2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.205 -8.341 -5.022 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.570 -8.370 -3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 18 10.581 -6.474 -3.269 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.479 -6.273 -4.535 1.00 0.00 H new ATOM 0 HE1 TYR A 18 10.690 -4.002 -3.229 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.548 -3.797 -4.411 1.00 0.00 H new ATOM 0 HH TYR A 18 8.811 -2.209 -2.577 1.00 0.00 H new ATOM 273 N GLN A 19 8.450 -10.535 -2.287 1.00 0.00 N ATOM 274 CA GLN A 19 8.052 -11.832 -1.769 1.00 0.00 C ATOM 275 C GLN A 19 6.556 -11.990 -1.962 1.00 0.00 C ATOM 276 O GLN A 19 5.768 -11.440 -1.202 1.00 0.00 O ATOM 277 CB GLN A 19 8.452 -11.932 -0.296 1.00 0.00 C ATOM 278 CG GLN A 19 9.945 -12.255 -0.198 1.00 0.00 C ATOM 279 CD GLN A 19 10.551 -12.050 1.184 1.00 0.00 C ATOM 280 OE1 GLN A 19 9.912 -11.618 2.139 1.00 0.00 O ATOM 281 NE2 GLN A 19 11.838 -12.321 1.294 1.00 0.00 N ATOM 0 H GLN A 19 7.980 -9.766 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 19 8.555 -12.639 -2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.237 -10.994 0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.867 -12.707 0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.099 -13.292 -0.497 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.485 -11.634 -0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.354 -12.679 0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.316 -12.172 2.182 1.00 0.00 H new ATOM 290 N TYR A 20 6.154 -12.698 -3.009 1.00 0.00 N ATOM 291 CA TYR A 20 4.765 -13.074 -3.194 1.00 0.00 C ATOM 292 C TYR A 20 4.255 -13.889 -2.006 1.00 0.00 C ATOM 293 O TYR A 20 4.978 -14.755 -1.501 1.00 0.00 O ATOM 294 CB TYR A 20 4.667 -13.897 -4.465 1.00 0.00 C ATOM 295 CG TYR A 20 3.261 -14.336 -4.782 1.00 0.00 C ATOM 296 CD1 TYR A 20 2.383 -13.427 -5.394 1.00 0.00 C ATOM 297 CD2 TYR A 20 2.834 -15.640 -4.462 1.00 0.00 C ATOM 298 CE1 TYR A 20 1.136 -13.884 -5.859 1.00 0.00 C ATOM 299 CE2 TYR A 20 1.576 -16.090 -4.881 1.00 0.00 C ATOM 300 CZ TYR A 20 0.744 -15.228 -5.634 1.00 0.00 C ATOM 301 OH TYR A 20 -0.441 -15.691 -6.119 1.00 0.00 O ATOM 0 H TYR A 20 6.778 -13.024 -3.747 1.00 0.00 H new ATOM 0 HA TYR A 20 4.151 -12.177 -3.268 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.055 -13.312 -5.299 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.303 -14.777 -4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.661 -12.390 -5.506 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.478 -16.294 -3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.477 -13.211 -6.387 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.243 -17.087 -4.632 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.549 -16.633 -5.873 1.00 0.00 H new ATOM 311 N ASP A 21 2.989 -13.685 -1.640 1.00 0.00 N ATOM 312 CA ASP A 21 2.296 -14.479 -0.635 1.00 0.00 C ATOM 313 C ASP A 21 1.049 -15.094 -1.237 1.00 0.00 C ATOM 314 O ASP A 21 0.098 -14.393 -1.574 1.00 0.00 O ATOM 315 CB ASP A 21 1.908 -13.679 0.612 1.00 0.00 C ATOM 316 CG ASP A 21 1.973 -14.592 1.845 1.00 0.00 C ATOM 317 OD1 ASP A 21 1.606 -15.787 1.709 1.00 0.00 O ATOM 318 OD2 ASP A 21 2.406 -14.100 2.912 1.00 0.00 O ATOM 0 H ASP A 21 2.409 -12.949 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 21 2.997 -15.251 -0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.582 -12.831 0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.903 -13.273 0.499 1.00 0.00 H new ATOM 323 N GLU A 22 1.038 -16.411 -1.371 1.00 0.00 N ATOM 324 CA GLU A 22 -0.093 -17.188 -1.867 1.00 0.00 C ATOM 325 C GLU A 22 -1.331 -17.092 -0.960 1.00 0.00 C ATOM 326 O GLU A 22 -2.440 -17.374 -1.422 1.00 0.00 O ATOM 327 CB GLU A 22 0.323 -18.657 -2.056 1.00 0.00 C ATOM 328 CG GLU A 22 1.383 -19.149 -1.063 1.00 0.00 C ATOM 329 CD GLU A 22 1.628 -20.654 -1.165 1.00 0.00 C ATOM 330 OE1 GLU A 22 2.233 -21.087 -2.168 1.00 0.00 O ATOM 331 OE2 GLU A 22 1.277 -21.392 -0.212 1.00 0.00 O ATOM 0 H GLU A 22 1.842 -16.990 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.379 -16.760 -2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.562 -19.287 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.704 -18.786 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.318 -18.619 -1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.068 -18.904 -0.049 1.00 0.00 H new ATOM 338 N THR A 23 -1.165 -16.691 0.304 1.00 0.00 N ATOM 339 CA THR A 23 -2.275 -16.492 1.241 1.00 0.00 C ATOM 340 C THR A 23 -3.269 -15.437 0.727 1.00 0.00 C ATOM 341 O THR A 23 -4.469 -15.559 0.974 1.00 0.00 O ATOM 342 CB THR A 23 -1.717 -16.160 2.643 1.00 0.00 C ATOM 343 OG1 THR A 23 -2.668 -16.410 3.664 1.00 0.00 O ATOM 344 CG2 THR A 23 -1.238 -14.717 2.812 1.00 0.00 C ATOM 0 H THR A 23 -0.250 -16.494 0.709 1.00 0.00 H new ATOM 0 HA THR A 23 -2.846 -17.417 1.321 1.00 0.00 H new ATOM 0 HB THR A 23 -0.856 -16.821 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.278 -16.190 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.863 -14.574 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.440 -14.512 2.098 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.069 -14.035 2.633 1.00 0.00 H new ATOM 352 N SER A 24 -2.788 -14.422 0.000 1.00 0.00 N ATOM 353 CA SER A 24 -3.590 -13.282 -0.442 1.00 0.00 C ATOM 354 C SER A 24 -3.382 -12.969 -1.924 1.00 0.00 C ATOM 355 O SER A 24 -4.241 -12.329 -2.532 1.00 0.00 O ATOM 356 CB SER A 24 -3.261 -12.062 0.431 1.00 0.00 C ATOM 357 OG SER A 24 -3.628 -12.317 1.775 1.00 0.00 O ATOM 0 H SER A 24 -1.815 -14.372 -0.301 1.00 0.00 H new ATOM 0 HA SER A 24 -4.643 -13.539 -0.326 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.196 -11.839 0.372 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.792 -11.185 0.060 1.00 0.00 H new ATOM 0 HG SER A 24 -3.414 -11.536 2.326 1.00 0.00 H new ATOM 363 N GLY A 25 -2.273 -13.419 -2.518 1.00 0.00 N ATOM 364 CA GLY A 25 -1.947 -13.189 -3.915 1.00 0.00 C ATOM 365 C GLY A 25 -1.213 -11.867 -4.119 1.00 0.00 C ATOM 366 O GLY A 25 -1.075 -11.426 -5.258 1.00 0.00 O ATOM 0 H GLY A 25 -1.566 -13.964 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.329 -14.008 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.863 -13.191 -4.506 1.00 0.00 H new ATOM 370 N TYR A 26 -0.769 -11.215 -3.044 1.00 0.00 N ATOM 371 CA TYR A 26 -0.105 -9.920 -3.097 1.00 0.00 C ATOM 372 C TYR A 26 1.400 -10.149 -3.069 1.00 0.00 C ATOM 373 O TYR A 26 1.869 -11.248 -2.757 1.00 0.00 O ATOM 374 CB TYR A 26 -0.547 -9.061 -1.898 1.00 0.00 C ATOM 375 CG TYR A 26 -1.852 -8.311 -2.098 1.00 0.00 C ATOM 376 CD1 TYR A 26 -3.011 -8.974 -2.550 1.00 0.00 C ATOM 377 CD2 TYR A 26 -1.894 -6.923 -1.864 1.00 0.00 C ATOM 378 CE1 TYR A 26 -4.187 -8.256 -2.806 1.00 0.00 C ATOM 379 CE2 TYR A 26 -3.076 -6.201 -2.090 1.00 0.00 C ATOM 380 CZ TYR A 26 -4.219 -6.863 -2.593 1.00 0.00 C ATOM 381 OH TYR A 26 -5.355 -6.170 -2.865 1.00 0.00 O ATOM 0 H TYR A 26 -0.864 -11.582 -2.097 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.374 -9.391 -4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.645 -9.705 -1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.240 -8.340 -1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.993 -10.043 -2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.012 -6.411 -1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.067 -8.769 -3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.112 -5.142 -1.880 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.215 -5.221 -2.664 1.00 0.00 H new ATOM 391 N TYR A 27 2.158 -9.092 -3.343 1.00 0.00 N ATOM 392 CA TYR A 27 3.599 -9.087 -3.180 1.00 0.00 C ATOM 393 C TYR A 27 3.909 -8.362 -1.867 1.00 0.00 C ATOM 394 O TYR A 27 3.289 -7.340 -1.563 1.00 0.00 O ATOM 395 CB TYR A 27 4.238 -8.382 -4.380 1.00 0.00 C ATOM 396 CG TYR A 27 4.043 -9.153 -5.671 1.00 0.00 C ATOM 397 CD1 TYR A 27 4.881 -10.247 -5.954 1.00 0.00 C ATOM 398 CD2 TYR A 27 2.989 -8.833 -6.548 1.00 0.00 C ATOM 399 CE1 TYR A 27 4.686 -11.013 -7.115 1.00 0.00 C ATOM 400 CE2 TYR A 27 2.789 -9.593 -7.715 1.00 0.00 C ATOM 401 CZ TYR A 27 3.643 -10.681 -8.009 1.00 0.00 C ATOM 402 OH TYR A 27 3.460 -11.415 -9.141 1.00 0.00 O ATOM 0 H TYR A 27 1.781 -8.209 -3.687 1.00 0.00 H new ATOM 0 HA TYR A 27 4.005 -10.098 -3.138 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.807 -7.386 -4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.304 -8.250 -4.196 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.680 -10.500 -5.273 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.334 -8.004 -6.325 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.331 -11.853 -7.324 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.981 -9.345 -8.388 1.00 0.00 H new ATOM 0 HH TYR A 27 2.700 -11.055 -9.645 1.00 0.00 H new ATOM 412 N TYR A 28 4.889 -8.829 -1.099 1.00 0.00 N ATOM 413 CA TYR A 28 5.380 -8.202 0.126 1.00 0.00 C ATOM 414 C TYR A 28 6.750 -7.607 -0.177 1.00 0.00 C ATOM 415 O TYR A 28 7.549 -8.211 -0.894 1.00 0.00 O ATOM 416 CB TYR A 28 5.468 -9.225 1.269 1.00 0.00 C ATOM 417 CG TYR A 28 6.206 -8.710 2.493 1.00 0.00 C ATOM 418 CD1 TYR A 28 5.704 -7.623 3.235 1.00 0.00 C ATOM 419 CD2 TYR A 28 7.443 -9.279 2.846 1.00 0.00 C ATOM 420 CE1 TYR A 28 6.444 -7.094 4.308 1.00 0.00 C ATOM 421 CE2 TYR A 28 8.187 -8.760 3.914 1.00 0.00 C ATOM 422 CZ TYR A 28 7.702 -7.650 4.640 1.00 0.00 C ATOM 423 OH TYR A 28 8.423 -7.140 5.675 1.00 0.00 O ATOM 0 H TYR A 28 5.385 -9.692 -1.322 1.00 0.00 H new ATOM 0 HA TYR A 28 4.693 -7.421 0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.460 -9.519 1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.969 -10.122 0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.747 -7.194 2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.823 -10.123 2.289 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.052 -6.264 4.878 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.132 -9.209 4.182 1.00 0.00 H new ATOM 0 HH TYR A 28 9.261 -7.639 5.767 1.00 0.00 H new ATOM 433 N ASP A 29 7.005 -6.419 0.359 1.00 0.00 N ATOM 434 CA ASP A 29 8.227 -5.646 0.190 1.00 0.00 C ATOM 435 C ASP A 29 9.115 -5.713 1.435 1.00 0.00 C ATOM 436 O ASP A 29 8.990 -4.859 2.319 1.00 0.00 O ATOM 437 CB ASP A 29 7.982 -4.193 -0.200 1.00 0.00 C ATOM 438 CG ASP A 29 9.313 -3.504 -0.542 1.00 0.00 C ATOM 439 OD1 ASP A 29 10.377 -4.163 -0.494 1.00 0.00 O ATOM 440 OD2 ASP A 29 9.277 -2.303 -0.892 1.00 0.00 O ATOM 0 H ASP A 29 6.327 -5.945 0.955 1.00 0.00 H new ATOM 0 HA ASP A 29 8.748 -6.115 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.310 -4.147 -1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.491 -3.667 0.619 1.00 0.00 H new ATOM 445 N PRO A 30 9.995 -6.719 1.559 1.00 0.00 N ATOM 446 CA PRO A 30 10.919 -6.817 2.681 1.00 0.00 C ATOM 447 C PRO A 30 11.903 -5.644 2.793 1.00 0.00 C ATOM 448 O PRO A 30 12.590 -5.524 3.811 1.00 0.00 O ATOM 449 CB PRO A 30 11.674 -8.126 2.453 1.00 0.00 C ATOM 450 CG PRO A 30 11.592 -8.371 0.952 1.00 0.00 C ATOM 451 CD PRO A 30 10.249 -7.763 0.579 1.00 0.00 C ATOM 0 HA PRO A 30 10.364 -6.789 3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.709 -8.047 2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.222 -8.945 3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.414 -7.892 0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.634 -9.434 0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.273 -7.353 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 30 9.461 -8.516 0.598 1.00 0.00 H new ATOM 459 N GLN A 31 12.022 -4.793 1.770 1.00 0.00 N ATOM 460 CA GLN A 31 12.915 -3.638 1.814 1.00 0.00 C ATOM 461 C GLN A 31 12.354 -2.560 2.739 1.00 0.00 C ATOM 462 O GLN A 31 13.109 -1.802 3.349 1.00 0.00 O ATOM 463 CB GLN A 31 13.115 -3.018 0.416 1.00 0.00 C ATOM 464 CG GLN A 31 13.529 -3.979 -0.716 1.00 0.00 C ATOM 465 CD GLN A 31 14.868 -4.682 -0.511 1.00 0.00 C ATOM 466 OE1 GLN A 31 15.486 -4.632 0.549 1.00 0.00 O ATOM 467 NE2 GLN A 31 15.350 -5.382 -1.526 1.00 0.00 N ATOM 0 H GLN A 31 11.505 -4.886 0.896 1.00 0.00 H new ATOM 0 HA GLN A 31 13.874 -3.996 2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.185 -2.530 0.124 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.873 -2.239 0.495 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.753 -4.736 -0.831 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.570 -3.419 -1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.837 -5.423 -2.406 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.235 -5.880 -1.428 1.00 0.00 H new ATOM 476 N THR A 32 11.032 -2.480 2.851 1.00 0.00 N ATOM 477 CA THR A 32 10.320 -1.368 3.457 1.00 0.00 C ATOM 478 C THR A 32 9.498 -1.878 4.631 1.00 0.00 C ATOM 479 O THR A 32 9.606 -1.346 5.742 1.00 0.00 O ATOM 480 CB THR A 32 9.445 -0.713 2.376 1.00 0.00 C ATOM 481 OG1 THR A 32 8.692 -1.682 1.683 1.00 0.00 O ATOM 482 CG2 THR A 32 10.308 0.043 1.366 1.00 0.00 C ATOM 0 H THR A 32 10.410 -3.213 2.510 1.00 0.00 H new ATOM 0 HA THR A 32 11.009 -0.618 3.845 1.00 0.00 H new ATOM 0 HB THR A 32 8.773 -0.019 2.880 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.814 -1.778 2.107 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.669 0.499 0.610 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.873 0.821 1.880 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.999 -0.650 0.887 1.00 0.00 H new ATOM 490 N GLY A 33 8.726 -2.933 4.376 1.00 0.00 N ATOM 491 CA GLY A 33 7.695 -3.449 5.248 1.00 0.00 C ATOM 492 C GLY A 33 6.335 -2.981 4.740 1.00 0.00 C ATOM 493 O GLY A 33 5.529 -2.455 5.512 1.00 0.00 O ATOM 0 H GLY A 33 8.814 -3.470 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.733 -4.538 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.856 -3.101 6.268 1.00 0.00 H new ATOM 497 N LEU A 34 6.095 -3.096 3.431 1.00 0.00 N ATOM 498 CA LEU A 34 4.830 -2.767 2.768 1.00 0.00 C ATOM 499 C LEU A 34 4.364 -3.967 1.946 1.00 0.00 C ATOM 500 O LEU A 34 5.123 -4.911 1.737 1.00 0.00 O ATOM 501 CB LEU A 34 4.998 -1.545 1.849 1.00 0.00 C ATOM 502 CG LEU A 34 5.549 -0.287 2.545 1.00 0.00 C ATOM 503 CD1 LEU A 34 6.073 0.695 1.497 1.00 0.00 C ATOM 504 CD2 LEU A 34 4.467 0.370 3.411 1.00 0.00 C ATOM 0 H LEU A 34 6.803 -3.434 2.779 1.00 0.00 H new ATOM 0 HA LEU A 34 4.087 -2.527 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.666 -1.812 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.031 -1.305 1.406 1.00 0.00 H new ATOM 0 HG LEU A 34 6.372 -0.577 3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.462 1.584 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.869 0.223 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.262 0.980 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.877 1.257 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.623 0.656 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.132 -0.335 4.172 1.00 0.00 H new ATOM 516 N TYR A 35 3.144 -3.911 1.421 1.00 0.00 N ATOM 517 CA TYR A 35 2.643 -4.810 0.390 1.00 0.00 C ATOM 518 C TYR A 35 2.381 -4.000 -0.881 1.00 0.00 C ATOM 519 O TYR A 35 2.312 -2.773 -0.821 1.00 0.00 O ATOM 520 CB TYR A 35 1.378 -5.526 0.884 1.00 0.00 C ATOM 521 CG TYR A 35 1.660 -6.620 1.900 1.00 0.00 C ATOM 522 CD1 TYR A 35 1.940 -6.312 3.247 1.00 0.00 C ATOM 523 CD2 TYR A 35 1.682 -7.962 1.477 1.00 0.00 C ATOM 524 CE1 TYR A 35 2.265 -7.338 4.156 1.00 0.00 C ATOM 525 CE2 TYR A 35 1.996 -8.990 2.381 1.00 0.00 C ATOM 526 CZ TYR A 35 2.311 -8.684 3.723 1.00 0.00 C ATOM 527 OH TYR A 35 2.644 -9.675 4.597 1.00 0.00 O ATOM 0 H TYR A 35 2.456 -3.216 1.711 1.00 0.00 H new ATOM 0 HA TYR A 35 3.381 -5.580 0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.705 -4.793 1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.858 -5.959 0.030 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.905 -5.286 3.583 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.456 -8.203 0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.480 -7.096 5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.997 -10.018 2.049 1.00 0.00 H new ATOM 0 HH TYR A 35 2.626 -10.539 4.134 1.00 0.00 H new ATOM 537 N TYR A 36 2.220 -4.684 -2.010 1.00 0.00 N ATOM 538 CA TYR A 36 1.942 -4.136 -3.334 1.00 0.00 C ATOM 539 C TYR A 36 1.036 -5.129 -4.064 1.00 0.00 C ATOM 540 O TYR A 36 1.134 -6.341 -3.827 1.00 0.00 O ATOM 541 CB TYR A 36 3.275 -3.957 -4.085 1.00 0.00 C ATOM 542 CG TYR A 36 3.181 -3.644 -5.567 1.00 0.00 C ATOM 543 CD1 TYR A 36 3.046 -2.319 -6.023 1.00 0.00 C ATOM 544 CD2 TYR A 36 3.231 -4.700 -6.497 1.00 0.00 C ATOM 545 CE1 TYR A 36 2.985 -2.047 -7.403 1.00 0.00 C ATOM 546 CE2 TYR A 36 3.147 -4.436 -7.873 1.00 0.00 C ATOM 547 CZ TYR A 36 3.045 -3.108 -8.335 1.00 0.00 C ATOM 548 OH TYR A 36 2.999 -2.850 -9.671 1.00 0.00 O ATOM 0 H TYR A 36 2.284 -5.702 -2.025 1.00 0.00 H new ATOM 0 HA TYR A 36 1.447 -3.167 -3.272 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.834 -3.155 -3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.859 -4.870 -3.965 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.989 -1.508 -5.312 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.334 -5.718 -6.150 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.892 -1.028 -7.749 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.161 -5.252 -8.580 1.00 0.00 H new ATOM 0 HH TYR A 36 3.052 -3.692 -10.169 1.00 0.00 H new ATOM 558 N ASP A 37 0.215 -4.635 -4.993 1.00 0.00 N ATOM 559 CA ASP A 37 -0.637 -5.471 -5.845 1.00 0.00 C ATOM 560 C ASP A 37 -0.307 -5.208 -7.321 1.00 0.00 C ATOM 561 O ASP A 37 -0.059 -4.061 -7.706 1.00 0.00 O ATOM 562 CB ASP A 37 -2.104 -5.127 -5.577 1.00 0.00 C ATOM 563 CG ASP A 37 -3.076 -5.974 -6.402 1.00 0.00 C ATOM 564 OD1 ASP A 37 -3.487 -7.059 -5.949 1.00 0.00 O ATOM 565 OD2 ASP A 37 -3.430 -5.542 -7.524 1.00 0.00 O ATOM 0 H ASP A 37 0.121 -3.636 -5.178 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.460 -6.523 -5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.317 -5.268 -4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.271 -4.073 -5.798 1.00 0.00 H new ATOM 570 N PRO A 38 -0.345 -6.224 -8.198 1.00 0.00 N ATOM 571 CA PRO A 38 0.039 -6.053 -9.594 1.00 0.00 C ATOM 572 C PRO A 38 -1.026 -5.341 -10.430 1.00 0.00 C ATOM 573 O PRO A 38 -0.687 -4.742 -11.454 1.00 0.00 O ATOM 574 CB PRO A 38 0.269 -7.468 -10.121 1.00 0.00 C ATOM 575 CG PRO A 38 -0.716 -8.278 -9.282 1.00 0.00 C ATOM 576 CD PRO A 38 -0.590 -7.630 -7.913 1.00 0.00 C ATOM 0 HA PRO A 38 0.924 -5.421 -9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.058 -7.546 -11.188 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.298 -7.797 -9.974 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.732 -8.211 -9.671 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.454 -9.336 -9.256 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.498 -7.764 -7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.228 -8.068 -7.340 1.00 0.00 H new ATOM 584 N ASN A 39 -2.304 -5.403 -10.057 1.00 0.00 N ATOM 585 CA ASN A 39 -3.374 -4.682 -10.724 1.00 0.00 C ATOM 586 C ASN A 39 -3.622 -3.310 -10.119 1.00 0.00 C ATOM 587 O ASN A 39 -4.164 -2.453 -10.822 1.00 0.00 O ATOM 588 CB ASN A 39 -4.652 -5.518 -10.674 1.00 0.00 C ATOM 589 CG ASN A 39 -4.738 -6.431 -11.879 1.00 0.00 C ATOM 590 OD1 ASN A 39 -4.471 -6.016 -13.002 1.00 0.00 O ATOM 591 ND2 ASN A 39 -5.012 -7.704 -11.682 1.00 0.00 N ATOM 0 H ASN A 39 -2.624 -5.966 -9.269 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.069 -4.518 -11.758 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.670 -6.111 -9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.522 -4.862 -10.645 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.003 -8.355 -12.467 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.233 -8.039 -10.744 1.00 0.00 H new ATOM 598 N SER A 40 -3.213 -3.077 -8.878 1.00 0.00 N ATOM 599 CA SER A 40 -3.381 -1.802 -8.194 1.00 0.00 C ATOM 600 C SER A 40 -2.044 -1.357 -7.604 1.00 0.00 C ATOM 601 O SER A 40 -1.733 -1.701 -6.468 1.00 0.00 O ATOM 602 CB SER A 40 -4.552 -1.858 -7.205 1.00 0.00 C ATOM 603 OG SER A 40 -4.365 -2.820 -6.189 1.00 0.00 O ATOM 0 H SER A 40 -2.746 -3.783 -8.308 1.00 0.00 H new ATOM 0 HA SER A 40 -3.666 -1.022 -8.900 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.684 -0.877 -6.750 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.470 -2.084 -7.748 1.00 0.00 H new ATOM 0 HG SER A 40 -5.138 -2.814 -5.586 1.00 0.00 H new ATOM 609 N GLN A 41 -1.276 -0.585 -8.381 1.00 0.00 N ATOM 610 CA GLN A 41 0.108 -0.147 -8.159 1.00 0.00 C ATOM 611 C GLN A 41 0.367 0.600 -6.835 1.00 0.00 C ATOM 612 O GLN A 41 1.516 0.944 -6.541 1.00 0.00 O ATOM 613 CB GLN A 41 0.564 0.733 -9.343 1.00 0.00 C ATOM 614 CG GLN A 41 1.257 -0.004 -10.495 1.00 0.00 C ATOM 615 CD GLN A 41 0.388 -1.021 -11.227 1.00 0.00 C ATOM 616 OE1 GLN A 41 -0.176 -0.745 -12.288 1.00 0.00 O ATOM 617 NE2 GLN A 41 0.265 -2.222 -10.691 1.00 0.00 N ATOM 0 H GLN A 41 -1.639 -0.218 -9.260 1.00 0.00 H new ATOM 0 HA GLN A 41 0.690 -1.066 -8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.307 1.253 -9.741 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.244 1.496 -8.963 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.613 0.733 -11.216 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.136 -0.516 -10.102 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.736 -2.439 -9.813 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.301 -2.932 -11.155 1.00 0.00 H new ATOM 626 N TYR A 42 -0.667 0.903 -6.054 1.00 0.00 N ATOM 627 CA TYR A 42 -0.537 1.466 -4.721 1.00 0.00 C ATOM 628 C TYR A 42 0.055 0.405 -3.792 1.00 0.00 C ATOM 629 O TYR A 42 -0.035 -0.801 -4.039 1.00 0.00 O ATOM 630 CB TYR A 42 -1.918 1.937 -4.243 1.00 0.00 C ATOM 631 CG TYR A 42 -2.601 2.863 -5.235 1.00 0.00 C ATOM 632 CD1 TYR A 42 -2.126 4.175 -5.416 1.00 0.00 C ATOM 633 CD2 TYR A 42 -3.652 2.388 -6.040 1.00 0.00 C ATOM 634 CE1 TYR A 42 -2.693 5.008 -6.397 1.00 0.00 C ATOM 635 CE2 TYR A 42 -4.222 3.211 -7.026 1.00 0.00 C ATOM 636 CZ TYR A 42 -3.736 4.522 -7.221 1.00 0.00 C ATOM 637 OH TYR A 42 -4.290 5.317 -8.181 1.00 0.00 O ATOM 0 H TYR A 42 -1.636 0.760 -6.340 1.00 0.00 H new ATOM 0 HA TYR A 42 0.132 2.327 -4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.552 1.068 -4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.811 2.451 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.321 4.545 -4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.024 1.384 -5.899 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.333 6.018 -6.522 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.033 2.840 -7.635 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.991 4.820 -8.652 1.00 0.00 H new ATOM 647 N TYR A 43 0.641 0.860 -2.692 1.00 0.00 N ATOM 648 CA TYR A 43 1.254 0.011 -1.691 1.00 0.00 C ATOM 649 C TYR A 43 0.336 -0.038 -0.480 1.00 0.00 C ATOM 650 O TYR A 43 -0.111 1.007 -0.001 1.00 0.00 O ATOM 651 CB TYR A 43 2.628 0.567 -1.305 1.00 0.00 C ATOM 652 CG TYR A 43 3.728 0.224 -2.287 1.00 0.00 C ATOM 653 CD1 TYR A 43 3.821 0.883 -3.527 1.00 0.00 C ATOM 654 CD2 TYR A 43 4.663 -0.772 -1.959 1.00 0.00 C ATOM 655 CE1 TYR A 43 4.863 0.573 -4.418 1.00 0.00 C ATOM 656 CE2 TYR A 43 5.710 -1.083 -2.837 1.00 0.00 C ATOM 657 CZ TYR A 43 5.822 -0.406 -4.073 1.00 0.00 C ATOM 658 OH TYR A 43 6.830 -0.707 -4.940 1.00 0.00 O ATOM 0 H TYR A 43 0.702 1.854 -2.470 1.00 0.00 H new ATOM 0 HA TYR A 43 1.397 -0.996 -2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.558 1.651 -1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.900 0.184 -0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.089 1.630 -3.795 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.574 -1.302 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.931 1.084 -5.367 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.432 -1.840 -2.569 1.00 0.00 H new ATOM 0 HH TYR A 43 7.480 -1.290 -4.496 1.00 0.00 H new ATOM 668 N TYR A 44 0.087 -1.232 0.046 1.00 0.00 N ATOM 669 CA TYR A 44 -0.692 -1.425 1.256 1.00 0.00 C ATOM 670 C TYR A 44 0.261 -1.397 2.436 1.00 0.00 C ATOM 671 O TYR A 44 1.180 -2.206 2.555 1.00 0.00 O ATOM 672 CB TYR A 44 -1.527 -2.703 1.195 1.00 0.00 C ATOM 673 CG TYR A 44 -2.186 -3.050 2.517 1.00 0.00 C ATOM 674 CD1 TYR A 44 -3.333 -2.356 2.954 1.00 0.00 C ATOM 675 CD2 TYR A 44 -1.613 -4.035 3.339 1.00 0.00 C ATOM 676 CE1 TYR A 44 -3.957 -2.709 4.168 1.00 0.00 C ATOM 677 CE2 TYR A 44 -2.216 -4.377 4.556 1.00 0.00 C ATOM 678 CZ TYR A 44 -3.407 -3.744 4.961 1.00 0.00 C ATOM 679 OH TYR A 44 -3.982 -4.142 6.125 1.00 0.00 O ATOM 0 H TYR A 44 0.426 -2.102 -0.364 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.418 -0.620 1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.297 -2.590 0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.890 -3.531 0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.735 -1.551 2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.704 -4.530 3.031 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.849 -2.193 4.491 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.766 -5.129 5.187 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.453 -4.866 6.520 1.00 0.00 H new ATOM 689 N ASN A 45 0.036 -0.420 3.299 1.00 0.00 N ATOM 690 CA ASN A 45 0.771 -0.167 4.514 1.00 0.00 C ATOM 691 C ASN A 45 0.009 -0.804 5.663 1.00 0.00 C ATOM 692 O ASN A 45 -0.801 -0.135 6.311 1.00 0.00 O ATOM 693 CB ASN A 45 0.897 1.344 4.692 1.00 0.00 C ATOM 694 CG ASN A 45 1.505 1.687 6.035 1.00 0.00 C ATOM 695 OD1 ASN A 45 2.478 1.081 6.461 1.00 0.00 O ATOM 696 ND2 ASN A 45 0.938 2.655 6.729 1.00 0.00 N ATOM 0 H ASN A 45 -0.713 0.257 3.155 1.00 0.00 H new ATOM 0 HA ASN A 45 1.774 -0.593 4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.514 1.757 3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.086 1.806 4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.310 2.913 7.643 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.127 3.146 6.352 1.00 0.00 H new ATOM 703 N ALA A 46 0.260 -2.092 5.910 1.00 0.00 N ATOM 704 CA ALA A 46 -0.377 -2.858 6.982 1.00 0.00 C ATOM 705 C ALA A 46 -0.289 -2.127 8.324 1.00 0.00 C ATOM 706 O ALA A 46 -1.245 -2.136 9.097 1.00 0.00 O ATOM 707 CB ALA A 46 0.277 -4.236 7.114 1.00 0.00 C ATOM 0 H ALA A 46 0.923 -2.640 5.361 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.428 -2.973 6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.208 -4.794 7.915 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.170 -4.781 6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.336 -4.116 7.345 1.00 0.00 H new ATOM 713 N GLN A 47 0.830 -1.438 8.564 1.00 0.00 N ATOM 714 CA GLN A 47 1.177 -0.724 9.773 1.00 0.00 C ATOM 715 C GLN A 47 0.047 0.163 10.291 1.00 0.00 C ATOM 716 O GLN A 47 -0.166 0.260 11.499 1.00 0.00 O ATOM 717 CB GLN A 47 2.422 0.114 9.462 1.00 0.00 C ATOM 718 CG GLN A 47 3.332 0.152 10.675 1.00 0.00 C ATOM 719 CD GLN A 47 4.326 1.302 10.580 1.00 0.00 C ATOM 720 OE1 GLN A 47 3.988 2.443 10.903 1.00 0.00 O ATOM 721 NE2 GLN A 47 5.547 1.054 10.142 1.00 0.00 N ATOM 0 H GLN A 47 1.564 -1.366 7.860 1.00 0.00 H new ATOM 0 HA GLN A 47 1.367 -1.445 10.568 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.954 -0.310 8.610 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.130 1.126 9.183 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.733 0.259 11.579 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.870 -0.792 10.759 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.811 0.105 9.879 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.226 1.812 10.067 1.00 0.00 H new ATOM 730 N SER A 48 -0.692 0.803 9.389 1.00 0.00 N ATOM 731 CA SER A 48 -1.844 1.622 9.702 1.00 0.00 C ATOM 732 C SER A 48 -2.983 1.310 8.724 1.00 0.00 C ATOM 733 O SER A 48 -3.812 2.178 8.455 1.00 0.00 O ATOM 734 CB SER A 48 -1.399 3.085 9.670 1.00 0.00 C ATOM 735 OG SER A 48 -0.225 3.282 10.446 1.00 0.00 O ATOM 0 H SER A 48 -0.493 0.760 8.389 1.00 0.00 H new ATOM 0 HA SER A 48 -2.235 1.409 10.697 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.212 3.389 8.640 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.200 3.720 10.049 1.00 0.00 H new ATOM 0 HG SER A 48 0.038 4.225 10.407 1.00 0.00 H new ATOM 741 N GLN A 49 -2.973 0.102 8.138 1.00 0.00 N ATOM 742 CA GLN A 49 -3.870 -0.433 7.103 1.00 0.00 C ATOM 743 C GLN A 49 -4.160 0.544 5.943 1.00 0.00 C ATOM 744 O GLN A 49 -5.184 0.447 5.262 1.00 0.00 O ATOM 745 CB GLN A 49 -5.070 -1.203 7.690 1.00 0.00 C ATOM 746 CG GLN A 49 -5.586 -0.579 8.979 1.00 0.00 C ATOM 747 CD GLN A 49 -6.937 -1.106 9.458 1.00 0.00 C ATOM 748 OE1 GLN A 49 -7.740 -1.636 8.692 1.00 0.00 O ATOM 749 NE2 GLN A 49 -7.252 -0.887 10.725 1.00 0.00 N ATOM 0 H GLN A 49 -2.271 -0.589 8.402 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.313 -1.211 6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.875 -1.231 6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.777 -2.235 7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.849 -0.745 9.765 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.663 0.499 8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.577 -0.447 11.350 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.170 -1.159 11.077 1.00 0.00 H new ATOM 758 N GLN A 50 -3.252 1.500 5.729 1.00 0.00 N ATOM 759 CA GLN A 50 -3.384 2.630 4.828 1.00 0.00 C ATOM 760 C GLN A 50 -2.816 2.311 3.451 1.00 0.00 C ATOM 761 O GLN A 50 -2.210 1.258 3.258 1.00 0.00 O ATOM 762 CB GLN A 50 -2.707 3.853 5.483 1.00 0.00 C ATOM 763 CG GLN A 50 -3.562 5.125 5.386 1.00 0.00 C ATOM 764 CD GLN A 50 -5.011 4.952 5.856 1.00 0.00 C ATOM 765 OE1 GLN A 50 -5.922 5.558 5.296 1.00 0.00 O ATOM 766 NE2 GLN A 50 -5.263 4.104 6.842 1.00 0.00 N ATOM 0 H GLN A 50 -2.354 1.498 6.213 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.437 2.858 4.663 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.506 3.634 6.532 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.744 4.030 5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.092 5.910 5.978 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.567 5.467 4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.496 3.608 7.297 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.224 3.947 7.146 1.00 0.00 H new ATOM 775 N TYR A 51 -3.023 3.212 2.490 1.00 0.00 N ATOM 776 CA TYR A 51 -2.589 3.038 1.117 1.00 0.00 C ATOM 777 C TYR A 51 -1.606 4.156 0.818 1.00 0.00 C ATOM 778 O TYR A 51 -1.870 5.326 1.111 1.00 0.00 O ATOM 779 CB TYR A 51 -3.768 3.080 0.137 1.00 0.00 C ATOM 780 CG TYR A 51 -4.601 1.811 0.049 1.00 0.00 C ATOM 781 CD1 TYR A 51 -5.112 1.217 1.215 1.00 0.00 C ATOM 782 CD2 TYR A 51 -4.905 1.239 -1.201 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.959 0.106 1.153 1.00 0.00 C ATOM 784 CE2 TYR A 51 -5.790 0.144 -1.275 1.00 0.00 C ATOM 785 CZ TYR A 51 -6.346 -0.408 -0.100 1.00 0.00 C ATOM 786 OH TYR A 51 -7.293 -1.385 -0.169 1.00 0.00 O ATOM 0 H TYR A 51 -3.506 4.096 2.654 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.124 2.060 0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.423 3.903 0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.382 3.308 -0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.845 1.626 2.178 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.461 1.638 -2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.315 -0.356 2.062 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.045 -0.276 -2.237 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.445 -1.627 -1.106 1.00 0.00 H new ATOM 796 N LEU A 52 -0.467 3.792 0.247 1.00 0.00 N ATOM 797 CA LEU A 52 0.646 4.666 -0.078 1.00 0.00 C ATOM 798 C LEU A 52 0.967 4.484 -1.558 1.00 0.00 C ATOM 799 O LEU A 52 0.382 3.631 -2.225 1.00 0.00 O ATOM 800 CB LEU A 52 1.871 4.322 0.790 1.00 0.00 C ATOM 801 CG LEU A 52 1.616 4.238 2.306 1.00 0.00 C ATOM 802 CD1 LEU A 52 2.913 3.828 2.998 1.00 0.00 C ATOM 803 CD2 LEU A 52 1.118 5.541 2.931 1.00 0.00 C ATOM 0 H LEU A 52 -0.287 2.823 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 52 0.383 5.704 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.273 3.366 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.641 5.072 0.611 1.00 0.00 H new ATOM 0 HG LEU A 52 0.823 3.504 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.747 3.764 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.234 2.857 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.685 4.570 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.963 5.396 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.858 6.326 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.177 5.832 2.464 1.00 0.00 H new ATOM 815 N TYR A 53 1.918 5.250 -2.071 1.00 0.00 N ATOM 816 CA TYR A 53 2.510 5.040 -3.379 1.00 0.00 C ATOM 817 C TYR A 53 4.006 5.302 -3.258 1.00 0.00 C ATOM 818 O TYR A 53 4.435 6.097 -2.412 1.00 0.00 O ATOM 819 CB TYR A 53 1.832 5.923 -4.440 1.00 0.00 C ATOM 820 CG TYR A 53 1.927 7.429 -4.241 1.00 0.00 C ATOM 821 CD1 TYR A 53 1.184 8.051 -3.223 1.00 0.00 C ATOM 822 CD2 TYR A 53 2.735 8.217 -5.085 1.00 0.00 C ATOM 823 CE1 TYR A 53 1.252 9.434 -3.024 1.00 0.00 C ATOM 824 CE2 TYR A 53 2.807 9.612 -4.902 1.00 0.00 C ATOM 825 CZ TYR A 53 2.068 10.221 -3.861 1.00 0.00 C ATOM 826 OH TYR A 53 2.190 11.544 -3.576 1.00 0.00 O ATOM 0 H TYR A 53 2.307 6.053 -1.576 1.00 0.00 H new ATOM 0 HA TYR A 53 2.357 4.014 -3.714 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.264 5.681 -5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.777 5.652 -4.484 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.551 7.452 -2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 53 3.302 7.749 -5.876 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.682 9.897 -2.232 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.424 10.214 -5.553 1.00 0.00 H new ATOM 0 HH TYR A 53 2.782 11.967 -4.232 1.00 0.00 H new ATOM 836 N TRP A 54 4.793 4.604 -4.074 1.00 0.00 N ATOM 837 CA TRP A 54 6.217 4.847 -4.203 1.00 0.00 C ATOM 838 C TRP A 54 6.393 6.078 -5.086 1.00 0.00 C ATOM 839 O TRP A 54 5.851 6.140 -6.198 1.00 0.00 O ATOM 840 CB TRP A 54 6.921 3.615 -4.794 1.00 0.00 C ATOM 841 CG TRP A 54 8.360 3.830 -5.150 1.00 0.00 C ATOM 842 CD1 TRP A 54 8.915 3.625 -6.363 1.00 0.00 C ATOM 843 CD2 TRP A 54 9.439 4.316 -4.303 1.00 0.00 C ATOM 844 NE1 TRP A 54 10.250 3.979 -6.336 1.00 0.00 N ATOM 845 CE2 TRP A 54 10.632 4.398 -5.079 1.00 0.00 C ATOM 846 CE3 TRP A 54 9.523 4.697 -2.950 1.00 0.00 C ATOM 847 CZ2 TRP A 54 11.851 4.825 -4.529 1.00 0.00 C ATOM 848 CZ3 TRP A 54 10.734 5.130 -2.392 1.00 0.00 C ATOM 849 CH2 TRP A 54 11.903 5.182 -3.171 1.00 0.00 C ATOM 0 H TRP A 54 4.451 3.848 -4.667 1.00 0.00 H new ATOM 0 HA TRP A 54 6.672 5.027 -3.229 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.856 2.797 -4.077 1.00 0.00 H new ATOM 0 HB3 TRP A 54 6.383 3.299 -5.687 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.393 3.241 -7.227 1.00 0.00 H new ATOM 0 HE1 TRP A 54 10.873 3.936 -7.142 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.639 4.655 -2.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.738 4.878 -5.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.769 5.426 -1.354 1.00 0.00 H new ATOM 0 HH2 TRP A 54 12.837 5.495 -2.728 1.00 0.00 H new ATOM 860 N ASP A 55 7.148 7.064 -4.611 1.00 0.00 N ATOM 861 CA ASP A 55 7.398 8.297 -5.335 1.00 0.00 C ATOM 862 C ASP A 55 8.885 8.461 -5.555 1.00 0.00 C ATOM 863 O ASP A 55 9.589 9.093 -4.766 1.00 0.00 O ATOM 864 CB ASP A 55 6.735 9.488 -4.645 1.00 0.00 C ATOM 865 CG ASP A 55 6.655 10.677 -5.590 1.00 0.00 C ATOM 866 OD1 ASP A 55 5.998 10.521 -6.648 1.00 0.00 O ATOM 867 OD2 ASP A 55 7.202 11.751 -5.259 1.00 0.00 O ATOM 0 H ASP A 55 7.607 7.025 -3.701 1.00 0.00 H new ATOM 0 HA ASP A 55 6.936 8.250 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.734 9.212 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.302 9.761 -3.755 1.00 0.00 H new ATOM 872 N GLY A 56 9.367 7.872 -6.649 1.00 0.00 N ATOM 873 CA GLY A 56 10.742 7.972 -7.098 1.00 0.00 C ATOM 874 C GLY A 56 11.157 9.419 -7.351 1.00 0.00 C ATOM 875 O GLY A 56 12.349 9.709 -7.290 1.00 0.00 O ATOM 0 H GLY A 56 8.788 7.296 -7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.401 7.531 -6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.868 7.393 -8.013 1.00 0.00 H new ATOM 879 N GLU A 57 10.204 10.347 -7.532 1.00 0.00 N ATOM 880 CA GLU A 57 10.504 11.768 -7.707 1.00 0.00 C ATOM 881 C GLU A 57 11.251 12.285 -6.474 1.00 0.00 C ATOM 882 O GLU A 57 12.118 13.155 -6.579 1.00 0.00 O ATOM 883 CB GLU A 57 9.233 12.606 -7.889 1.00 0.00 C ATOM 884 CG GLU A 57 8.177 12.040 -8.838 1.00 0.00 C ATOM 885 CD GLU A 57 8.638 11.894 -10.284 1.00 0.00 C ATOM 886 OE1 GLU A 57 9.456 10.990 -10.570 1.00 0.00 O ATOM 887 OE2 GLU A 57 8.102 12.620 -11.148 1.00 0.00 O ATOM 0 H GLU A 57 9.208 10.129 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 57 11.113 11.865 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.773 12.747 -6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.523 13.593 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.863 11.063 -8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.300 12.687 -8.813 1.00 0.00 H new ATOM 894 N ARG A 58 10.895 11.746 -5.302 1.00 0.00 N ATOM 895 CA ARG A 58 11.322 12.164 -3.974 1.00 0.00 C ATOM 896 C ARG A 58 12.012 11.019 -3.218 1.00 0.00 C ATOM 897 O ARG A 58 12.437 11.229 -2.083 1.00 0.00 O ATOM 898 CB ARG A 58 10.069 12.668 -3.227 1.00 0.00 C ATOM 899 CG ARG A 58 9.494 13.961 -3.835 1.00 0.00 C ATOM 900 CD ARG A 58 8.250 14.458 -3.077 1.00 0.00 C ATOM 901 NE ARG A 58 8.235 15.928 -2.960 1.00 0.00 N ATOM 902 CZ ARG A 58 7.520 16.654 -2.088 1.00 0.00 C ATOM 903 NH1 ARG A 58 6.526 16.116 -1.390 1.00 0.00 N ATOM 904 NH2 ARG A 58 7.823 17.931 -1.907 1.00 0.00 N ATOM 0 H ARG A 58 10.257 10.952 -5.261 1.00 0.00 H new ATOM 0 HA ARG A 58 12.062 12.961 -4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.304 11.892 -3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.321 12.844 -2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.259 14.737 -3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.235 13.785 -4.879 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.351 14.125 -3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.228 14.013 -2.082 1.00 0.00 H new ATOM 0 HE ARG A 58 8.829 16.445 -3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.292 15.131 -1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.996 16.688 -0.733 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.593 18.351 -2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.287 18.494 -1.247 1.00 0.00 H new ATOM 918 N ARG A 59 12.105 9.827 -3.823 1.00 0.00 N ATOM 919 CA ARG A 59 12.552 8.559 -3.241 1.00 0.00 C ATOM 920 C ARG A 59 11.941 8.331 -1.861 1.00 0.00 C ATOM 921 O ARG A 59 12.670 8.092 -0.892 1.00 0.00 O ATOM 922 CB ARG A 59 14.077 8.424 -3.215 1.00 0.00 C ATOM 923 CG ARG A 59 14.771 8.486 -4.583 1.00 0.00 C ATOM 924 CD ARG A 59 16.275 8.313 -4.328 1.00 0.00 C ATOM 925 NE ARG A 59 17.078 8.230 -5.555 1.00 0.00 N ATOM 926 CZ ARG A 59 18.169 8.951 -5.840 1.00 0.00 C ATOM 927 NH1 ARG A 59 18.517 10.025 -5.139 1.00 0.00 N ATOM 928 NH2 ARG A 59 18.925 8.570 -6.857 1.00 0.00 N ATOM 0 H ARG A 59 11.850 9.718 -4.805 1.00 0.00 H new ATOM 0 HA ARG A 59 12.187 7.770 -3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 59 14.483 9.215 -2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.332 7.476 -2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.398 7.701 -5.241 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.570 9.437 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 59 16.631 9.150 -3.728 1.00 0.00 H new ATOM 0 HD3 ARG A 59 16.433 7.409 -3.740 1.00 0.00 H new ATOM 0 HE ARG A 59 16.774 7.557 -6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 59 17.944 10.327 -4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 59 19.357 10.547 -5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.670 7.746 -7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 59 19.762 9.101 -7.097 1.00 0.00 H new ATOM 942 N THR A 60 10.619 8.388 -1.751 1.00 0.00 N ATOM 943 CA THR A 60 9.953 8.087 -0.495 1.00 0.00 C ATOM 944 C THR A 60 8.578 7.476 -0.767 1.00 0.00 C ATOM 945 O THR A 60 8.143 7.395 -1.918 1.00 0.00 O ATOM 946 CB THR A 60 9.917 9.358 0.373 1.00 0.00 C ATOM 947 OG1 THR A 60 9.541 9.007 1.686 1.00 0.00 O ATOM 948 CG2 THR A 60 8.973 10.428 -0.187 1.00 0.00 C ATOM 0 H THR A 60 9.991 8.639 -2.515 1.00 0.00 H new ATOM 0 HA THR A 60 10.503 7.336 0.072 1.00 0.00 H new ATOM 0 HB THR A 60 10.915 9.795 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.055 8.224 1.975 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.987 11.302 0.464 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.300 10.715 -1.186 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.960 10.029 -0.238 1.00 0.00 H new ATOM 956 N TYR A 61 7.891 7.065 0.300 1.00 0.00 N ATOM 957 CA TYR A 61 6.488 6.694 0.264 1.00 0.00 C ATOM 958 C TYR A 61 5.668 7.869 0.755 1.00 0.00 C ATOM 959 O TYR A 61 6.011 8.526 1.745 1.00 0.00 O ATOM 960 CB TYR A 61 6.216 5.448 1.105 1.00 0.00 C ATOM 961 CG TYR A 61 6.826 4.233 0.458 1.00 0.00 C ATOM 962 CD1 TYR A 61 8.159 3.900 0.745 1.00 0.00 C ATOM 963 CD2 TYR A 61 6.110 3.527 -0.528 1.00 0.00 C ATOM 964 CE1 TYR A 61 8.792 2.882 0.024 1.00 0.00 C ATOM 965 CE2 TYR A 61 6.735 2.490 -1.240 1.00 0.00 C ATOM 966 CZ TYR A 61 8.087 2.179 -0.983 1.00 0.00 C ATOM 967 OH TYR A 61 8.715 1.241 -1.737 1.00 0.00 O ATOM 0 H TYR A 61 8.308 6.981 1.227 1.00 0.00 H new ATOM 0 HA TYR A 61 6.207 6.448 -0.760 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.628 5.580 2.106 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.141 5.306 1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.694 4.428 1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.082 3.783 -0.736 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.821 2.632 0.236 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.182 1.933 -1.982 1.00 0.00 H new ATOM 0 HH TYR A 61 8.080 0.858 -2.378 1.00 0.00 H new ATOM 977 N VAL A 62 4.601 8.151 0.028 1.00 0.00 N ATOM 978 CA VAL A 62 3.624 9.182 0.324 1.00 0.00 C ATOM 979 C VAL A 62 2.216 8.562 0.336 1.00 0.00 C ATOM 980 O VAL A 62 2.018 7.506 -0.268 1.00 0.00 O ATOM 981 CB VAL A 62 3.830 10.394 -0.618 1.00 0.00 C ATOM 982 CG1 VAL A 62 4.683 11.470 0.070 1.00 0.00 C ATOM 983 CG2 VAL A 62 4.584 10.054 -1.922 1.00 0.00 C ATOM 0 H VAL A 62 4.382 7.641 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 62 3.759 9.594 1.324 1.00 0.00 H new ATOM 0 HB VAL A 62 2.820 10.729 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.818 12.314 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.181 11.808 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.656 11.053 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.688 10.954 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.572 9.663 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.024 9.304 -2.481 1.00 0.00 H new ATOM 993 N PRO A 63 1.243 9.148 1.054 1.00 0.00 N ATOM 994 CA PRO A 63 -0.085 8.566 1.221 1.00 0.00 C ATOM 995 C PRO A 63 -0.956 8.743 -0.024 1.00 0.00 C ATOM 996 O PRO A 63 -1.240 9.870 -0.437 1.00 0.00 O ATOM 997 CB PRO A 63 -0.692 9.257 2.441 1.00 0.00 C ATOM 998 CG PRO A 63 0.052 10.589 2.529 1.00 0.00 C ATOM 999 CD PRO A 63 1.421 10.295 1.933 1.00 0.00 C ATOM 0 HA PRO A 63 -0.022 7.488 1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.765 9.408 2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.553 8.663 3.345 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.465 11.371 1.972 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.133 10.932 3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.797 11.155 1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.148 10.077 2.716 1.00 0.00 H new ATOM 1007 N ALA A 64 -1.443 7.634 -0.587 1.00 0.00 N ATOM 1008 CA ALA A 64 -2.260 7.606 -1.798 1.00 0.00 C ATOM 1009 C ALA A 64 -3.743 7.888 -1.527 1.00 0.00 C ATOM 1010 O ALA A 64 -4.603 7.440 -2.285 1.00 0.00 O ATOM 1011 CB ALA A 64 -2.076 6.261 -2.517 1.00 0.00 C ATOM 0 H ALA A 64 -1.274 6.706 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.914 8.413 -2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.687 6.244 -3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.028 6.133 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.383 5.450 -1.856 1.00 0.00 H new