USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 68 SER OG : rot 180:sc= 0.00215 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.605 X(o=-0.6,f=-0.23) USER MOD Set 2.1: A 42 MET CE :methyl 145:sc= -12.8! (180deg=-15.7!) USER MOD Set 2.2: A 61 MET CE :methyl -123:sc= -3.99! (180deg=-2.51!) USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -4.87! C(o=-4.9!,f=-4.3!) USER MOD Single : A 23 GLN : amide:sc= -0.723 X(o=-0.72,f=-0.68) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 103:sc= 0.959 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.0119 X(o=0.012,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0037 USER MOD Single : A 43 GLN : amide:sc= -0.0183 K(o=-0.018,f=-1.1) USER MOD Single : A 44 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0686 USER MOD Single : A 50 THR OG1 : rot 46:sc= 0.0302 USER MOD Single : A 57 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.79) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -12.3! C(o=-12!,f=-16!) USER MOD Single : A 70 SER OG : rot 112:sc= 0.491 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -118:sc= -1.15 (180deg=-5.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 16 -6.117 12.013 0.508 1.00 0.00 N ATOM 178 CA ALA A 16 -5.000 11.409 -0.199 1.00 0.00 C ATOM 179 C ALA A 16 -4.481 10.213 0.602 1.00 0.00 C ATOM 180 O ALA A 16 -3.272 10.029 0.736 1.00 0.00 O ATOM 181 CB ALA A 16 -3.918 12.464 -0.439 1.00 0.00 C ATOM 0 HA ALA A 16 -5.317 11.039 -1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.080 12.012 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.329 13.277 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.573 12.856 0.518 1.00 0.00 H new ATOM 187 N THR A 17 -5.421 9.432 1.114 1.00 0.00 N ATOM 188 CA THR A 17 -5.073 8.259 1.898 1.00 0.00 C ATOM 189 C THR A 17 -5.497 6.983 1.166 1.00 0.00 C ATOM 190 O THR A 17 -6.482 6.984 0.429 1.00 0.00 O ATOM 191 CB THR A 17 -5.713 8.407 3.280 1.00 0.00 C ATOM 192 OG1 THR A 17 -5.074 9.553 3.836 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.329 7.269 4.228 1.00 0.00 C ATOM 0 H THR A 17 -6.423 9.588 1.001 1.00 0.00 H new ATOM 0 HA THR A 17 -3.994 8.178 2.030 1.00 0.00 H new ATOM 0 HB THR A 17 -6.798 8.442 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.430 9.723 4.733 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.810 7.422 5.194 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.656 6.318 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.247 7.254 4.359 1.00 0.00 H new ATOM 201 N VAL A 18 -4.732 5.926 1.396 1.00 0.00 N ATOM 202 CA VAL A 18 -5.016 4.647 0.768 1.00 0.00 C ATOM 203 C VAL A 18 -4.846 3.529 1.798 1.00 0.00 C ATOM 204 O VAL A 18 -3.852 3.492 2.522 1.00 0.00 O ATOM 205 CB VAL A 18 -4.131 4.462 -0.467 1.00 0.00 C ATOM 206 CG1 VAL A 18 -4.426 5.533 -1.519 1.00 0.00 C ATOM 207 CG2 VAL A 18 -2.649 4.463 -0.084 1.00 0.00 C ATOM 0 H VAL A 18 -3.916 5.929 2.008 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.048 4.614 0.419 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.364 3.491 -0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.784 5.378 -2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.470 5.465 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.235 6.520 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.042 4.330 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.396 5.412 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.453 3.648 0.612 1.00 0.00 H new ATOM 217 N VAL A 19 -5.832 2.644 1.832 1.00 0.00 N ATOM 218 CA VAL A 19 -5.804 1.528 2.762 1.00 0.00 C ATOM 219 C VAL A 19 -5.204 0.305 2.066 1.00 0.00 C ATOM 220 O VAL A 19 -5.849 -0.309 1.217 1.00 0.00 O ATOM 221 CB VAL A 19 -7.208 1.273 3.315 1.00 0.00 C ATOM 222 CG1 VAL A 19 -7.219 0.053 4.238 1.00 0.00 C ATOM 223 CG2 VAL A 19 -7.747 2.510 4.035 1.00 0.00 C ATOM 0 H VAL A 19 -6.655 2.677 1.230 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.169 1.759 3.617 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.867 1.063 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.228 -0.107 4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.897 -0.827 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.540 0.223 5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.746 2.302 4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.086 2.765 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.793 3.346 3.337 1.00 0.00 H new ATOM 233 N VAL A 20 -3.977 -0.013 2.451 1.00 0.00 N ATOM 234 CA VAL A 20 -3.283 -1.152 1.875 1.00 0.00 C ATOM 235 C VAL A 20 -3.630 -2.411 2.671 1.00 0.00 C ATOM 236 O VAL A 20 -3.827 -2.349 3.883 1.00 0.00 O ATOM 237 CB VAL A 20 -1.779 -0.875 1.819 1.00 0.00 C ATOM 238 CG1 VAL A 20 -1.029 -2.044 1.177 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.489 0.434 1.081 1.00 0.00 C ATOM 0 H VAL A 20 -3.445 0.499 3.155 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.608 -1.317 0.848 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.420 -0.769 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.038 -1.821 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.196 -2.948 1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.394 -2.196 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.413 0.607 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.870 0.369 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.977 1.260 1.599 1.00 0.00 H new ATOM 249 N ASN A 21 -3.693 -3.525 1.956 1.00 0.00 N ATOM 250 CA ASN A 21 -4.013 -4.798 2.581 1.00 0.00 C ATOM 251 C ASN A 21 -3.518 -5.938 1.688 1.00 0.00 C ATOM 252 O ASN A 21 -3.644 -5.873 0.467 1.00 0.00 O ATOM 253 CB ASN A 21 -5.524 -4.959 2.760 1.00 0.00 C ATOM 254 CG ASN A 21 -6.201 -3.601 2.952 1.00 0.00 C ATOM 255 OD1 ASN A 21 -6.384 -2.832 2.022 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.563 -3.349 4.206 1.00 0.00 N ATOM 0 H ASN A 21 -3.528 -3.573 0.951 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.529 -4.826 3.557 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.946 -5.460 1.888 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.726 -5.595 3.622 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.024 -2.469 4.437 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.380 -4.036 4.937 1.00 0.00 H new ATOM 263 N LEU A 22 -2.967 -6.955 2.334 1.00 0.00 N ATOM 264 CA LEU A 22 -2.453 -8.108 1.614 1.00 0.00 C ATOM 265 C LEU A 22 -3.613 -9.038 1.255 1.00 0.00 C ATOM 266 O LEU A 22 -4.450 -9.348 2.101 1.00 0.00 O ATOM 267 CB LEU A 22 -1.343 -8.790 2.416 1.00 0.00 C ATOM 268 CG LEU A 22 0.079 -8.292 2.152 1.00 0.00 C ATOM 269 CD1 LEU A 22 0.212 -6.807 2.494 1.00 0.00 C ATOM 270 CD2 LEU A 22 1.106 -9.146 2.897 1.00 0.00 C ATOM 0 H LEU A 22 -2.865 -7.005 3.348 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.991 -7.797 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.559 -8.665 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.376 -9.859 2.208 1.00 0.00 H new ATOM 0 HG LEU A 22 0.285 -8.397 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.232 -6.478 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.480 -6.229 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.022 -6.654 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.109 -8.771 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.912 -9.096 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.030 -10.181 2.562 1.00 0.00 H new ATOM 282 N GLN A 23 -3.626 -9.458 -0.002 1.00 0.00 N ATOM 283 CA GLN A 23 -4.670 -10.347 -0.483 1.00 0.00 C ATOM 284 C GLN A 23 -4.630 -11.673 0.278 1.00 0.00 C ATOM 285 O GLN A 23 -5.647 -12.120 0.808 1.00 0.00 O ATOM 286 CB GLN A 23 -4.543 -10.576 -1.991 1.00 0.00 C ATOM 287 CG GLN A 23 -4.837 -9.291 -2.767 1.00 0.00 C ATOM 288 CD GLN A 23 -5.968 -9.506 -3.776 1.00 0.00 C ATOM 289 OE1 GLN A 23 -5.808 -9.333 -4.973 1.00 0.00 O ATOM 290 NE2 GLN A 23 -7.116 -9.893 -3.227 1.00 0.00 N ATOM 0 H GLN A 23 -2.930 -9.199 -0.702 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.635 -9.875 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.538 -10.925 -2.226 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.234 -11.360 -2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.111 -8.497 -2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.938 -8.963 -3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.181 -10.019 -2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.931 -10.064 -3.816 1.00 0.00 H new ATOM 299 N SER A 24 -3.446 -12.266 0.308 1.00 0.00 N ATOM 300 CA SER A 24 -3.261 -13.533 0.996 1.00 0.00 C ATOM 301 C SER A 24 -2.035 -13.458 1.909 1.00 0.00 C ATOM 302 O SER A 24 -0.998 -14.047 1.611 1.00 0.00 O ATOM 303 CB SER A 24 -3.110 -14.684 0.000 1.00 0.00 C ATOM 304 OG SER A 24 -4.352 -15.333 -0.258 1.00 0.00 O ATOM 0 H SER A 24 -2.605 -11.893 -0.133 1.00 0.00 H new ATOM 0 HA SER A 24 -4.147 -13.726 1.601 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.699 -14.303 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.396 -15.409 0.390 1.00 0.00 H new ATOM 0 HG SER A 24 -4.214 -16.061 -0.900 1.00 0.00 H new ATOM 310 N PRO A 25 -2.201 -12.709 3.033 1.00 0.00 N ATOM 311 CA PRO A 25 -1.121 -12.550 3.991 1.00 0.00 C ATOM 312 C PRO A 25 -0.934 -13.820 4.824 1.00 0.00 C ATOM 313 O PRO A 25 -1.905 -14.505 5.143 1.00 0.00 O ATOM 314 CB PRO A 25 -1.513 -11.343 4.828 1.00 0.00 C ATOM 315 CG PRO A 25 -3.006 -11.156 4.616 1.00 0.00 C ATOM 316 CD PRO A 25 -3.416 -11.997 3.418 1.00 0.00 C ATOM 0 HA PRO A 25 -0.155 -12.390 3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.286 -11.508 5.881 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.960 -10.456 4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.559 -11.462 5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.238 -10.105 4.442 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.217 -12.690 3.676 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.785 -11.373 2.604 1.00 0.00 H new ATOM 324 N THR A 26 0.319 -14.096 5.152 1.00 0.00 N ATOM 325 CA THR A 26 0.645 -15.271 5.941 1.00 0.00 C ATOM 326 C THR A 26 0.311 -15.034 7.415 1.00 0.00 C ATOM 327 O THR A 26 -0.269 -14.007 7.766 1.00 0.00 O ATOM 328 CB THR A 26 2.117 -15.610 5.699 1.00 0.00 C ATOM 329 OG1 THR A 26 2.344 -15.226 4.345 1.00 0.00 O ATOM 330 CG2 THR A 26 2.380 -17.117 5.707 1.00 0.00 C ATOM 0 H THR A 26 1.121 -13.525 4.885 1.00 0.00 H new ATOM 0 HA THR A 26 0.045 -16.129 5.638 1.00 0.00 H new ATOM 0 HB THR A 26 2.730 -15.130 6.462 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.824 -14.372 4.323 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.440 -17.302 5.531 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.095 -17.531 6.674 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.793 -17.593 4.922 1.00 0.00 H new ATOM 338 N LEU A 27 0.691 -16.000 8.238 1.00 0.00 N ATOM 339 CA LEU A 27 0.439 -15.909 9.666 1.00 0.00 C ATOM 340 C LEU A 27 1.067 -14.624 10.209 1.00 0.00 C ATOM 341 O LEU A 27 0.482 -13.954 11.060 1.00 0.00 O ATOM 342 CB LEU A 27 0.918 -17.176 10.377 1.00 0.00 C ATOM 343 CG LEU A 27 -0.041 -18.367 10.344 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.507 -19.488 9.459 1.00 0.00 C ATOM 345 CD2 LEU A 27 -0.356 -18.857 11.759 1.00 0.00 C ATOM 0 H LEU A 27 1.172 -16.850 7.943 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.632 -15.848 9.861 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.863 -17.484 9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.123 -16.929 11.419 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.980 -18.036 9.901 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.194 -20.323 9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.639 -19.118 8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.467 -19.824 9.850 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.040 -19.704 11.707 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.566 -19.165 12.251 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.819 -18.051 12.328 1.00 0.00 H new ATOM 357 N GLU A 28 2.249 -14.318 9.696 1.00 0.00 N ATOM 358 CA GLU A 28 2.963 -13.125 10.119 1.00 0.00 C ATOM 359 C GLU A 28 2.227 -11.870 9.644 1.00 0.00 C ATOM 360 O GLU A 28 2.045 -10.925 10.411 1.00 0.00 O ATOM 361 CB GLU A 28 4.405 -13.140 9.610 1.00 0.00 C ATOM 362 CG GLU A 28 4.448 -13.120 8.081 1.00 0.00 C ATOM 363 CD GLU A 28 5.799 -13.617 7.564 1.00 0.00 C ATOM 364 OE1 GLU A 28 6.014 -14.847 7.627 1.00 0.00 O ATOM 365 OE2 GLU A 28 6.588 -12.756 7.117 1.00 0.00 O ATOM 0 H GLU A 28 2.731 -14.876 8.991 1.00 0.00 H new ATOM 0 HA GLU A 28 2.997 -13.113 11.208 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.942 -12.277 10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.916 -14.029 9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.650 -13.746 7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.268 -12.107 7.722 1.00 0.00 H new ATOM 372 N GLU A 29 1.824 -11.901 8.383 1.00 0.00 N ATOM 373 CA GLU A 29 1.112 -10.777 7.797 1.00 0.00 C ATOM 374 C GLU A 29 -0.336 -10.751 8.290 1.00 0.00 C ATOM 375 O GLU A 29 -1.047 -9.768 8.088 1.00 0.00 O ATOM 376 CB GLU A 29 1.170 -10.828 6.269 1.00 0.00 C ATOM 377 CG GLU A 29 2.604 -10.639 5.768 1.00 0.00 C ATOM 378 CD GLU A 29 2.933 -11.638 4.657 1.00 0.00 C ATOM 379 OE1 GLU A 29 3.408 -12.740 5.007 1.00 0.00 O ATOM 380 OE2 GLU A 29 2.701 -11.277 3.483 1.00 0.00 O ATOM 0 H GLU A 29 1.976 -12.686 7.750 1.00 0.00 H new ATOM 0 HA GLU A 29 1.601 -9.856 8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.782 -11.784 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.530 -10.051 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.732 -9.622 5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.302 -10.767 6.595 1.00 0.00 H new ATOM 387 N LYS A 30 -0.731 -11.844 8.927 1.00 0.00 N ATOM 388 CA LYS A 30 -2.081 -11.959 9.450 1.00 0.00 C ATOM 389 C LYS A 30 -2.134 -11.351 10.853 1.00 0.00 C ATOM 390 O LYS A 30 -3.181 -10.875 11.288 1.00 0.00 O ATOM 391 CB LYS A 30 -2.557 -13.412 9.391 1.00 0.00 C ATOM 392 CG LYS A 30 -3.579 -13.699 10.493 1.00 0.00 C ATOM 393 CD LYS A 30 -4.587 -14.759 10.043 1.00 0.00 C ATOM 394 CE LYS A 30 -3.937 -16.143 9.982 1.00 0.00 C ATOM 395 NZ LYS A 30 -4.663 -17.095 10.852 1.00 0.00 N ATOM 0 H LYS A 30 -0.139 -12.658 9.093 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.778 -11.394 8.831 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.001 -13.614 8.416 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.704 -14.082 9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.064 -14.040 11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.104 -12.781 10.755 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.431 -14.780 10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.983 -14.496 9.062 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.938 -16.507 8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.895 -16.076 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.209 -18.029 10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.640 -16.754 11.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.650 -17.171 10.535 1.00 0.00 H new ATOM 409 N ASN A 31 -0.990 -11.386 11.521 1.00 0.00 N ATOM 410 CA ASN A 31 -0.893 -10.844 12.866 1.00 0.00 C ATOM 411 C ASN A 31 -0.570 -9.350 12.787 1.00 0.00 C ATOM 412 O ASN A 31 -1.108 -8.554 13.555 1.00 0.00 O ATOM 413 CB ASN A 31 0.225 -11.528 13.655 1.00 0.00 C ATOM 414 CG ASN A 31 -0.348 -12.511 14.678 1.00 0.00 C ATOM 415 OD1 ASN A 31 -0.484 -12.216 15.853 1.00 0.00 O ATOM 416 ND2 ASN A 31 -0.675 -13.694 14.165 1.00 0.00 N ATOM 0 H ASN A 31 -0.123 -11.781 11.156 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.845 -11.014 13.368 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.888 -12.056 12.970 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.827 -10.776 14.165 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.066 -14.420 14.766 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.535 -13.875 13.171 1.00 0.00 H new ATOM 423 N GLU A 32 0.306 -9.015 11.851 1.00 0.00 N ATOM 424 CA GLU A 32 0.706 -7.631 11.662 1.00 0.00 C ATOM 425 C GLU A 32 1.596 -7.501 10.425 1.00 0.00 C ATOM 426 O GLU A 32 2.392 -8.391 10.131 1.00 0.00 O ATOM 427 CB GLU A 32 1.413 -7.090 12.906 1.00 0.00 C ATOM 428 CG GLU A 32 0.623 -5.936 13.527 1.00 0.00 C ATOM 429 CD GLU A 32 1.278 -4.590 13.208 1.00 0.00 C ATOM 430 OE1 GLU A 32 2.387 -4.359 13.737 1.00 0.00 O ATOM 431 OE2 GLU A 32 0.654 -3.823 12.443 1.00 0.00 O ATOM 0 H GLU A 32 0.750 -9.678 11.216 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.191 -7.032 11.505 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.532 -7.889 13.638 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.414 -6.749 12.641 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.399 -5.946 13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.565 -6.070 14.607 1.00 0.00 H new ATOM 438 N PHE A 33 1.432 -6.383 9.732 1.00 0.00 N ATOM 439 CA PHE A 33 2.211 -6.124 8.533 1.00 0.00 C ATOM 440 C PHE A 33 3.711 -6.155 8.837 1.00 0.00 C ATOM 441 O PHE A 33 4.168 -5.528 9.791 1.00 0.00 O ATOM 442 CB PHE A 33 1.830 -4.725 8.045 1.00 0.00 C ATOM 443 CG PHE A 33 1.927 -4.547 6.529 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.143 -4.407 5.936 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.796 -4.530 5.773 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.232 -4.242 4.529 1.00 0.00 C ATOM 447 CE2 PHE A 33 0.885 -4.365 4.366 1.00 0.00 C ATOM 448 CZ PHE A 33 2.101 -4.225 3.773 1.00 0.00 C ATOM 0 H PHE A 33 0.771 -5.646 9.978 1.00 0.00 H new ATOM 0 HA PHE A 33 2.004 -6.887 7.782 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.810 -4.506 8.362 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.478 -3.994 8.529 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.041 -4.421 6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.170 -4.642 6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.198 -4.130 4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.013 -4.351 3.766 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.169 -4.100 2.702 1.00 0.00 H new ATOM 458 N PRO A 34 4.454 -6.911 7.984 1.00 0.00 N ATOM 459 CA PRO A 34 5.893 -7.031 8.152 1.00 0.00 C ATOM 460 C PRO A 34 6.606 -5.756 7.699 1.00 0.00 C ATOM 461 O PRO A 34 6.327 -5.233 6.621 1.00 0.00 O ATOM 462 CB PRO A 34 6.282 -8.252 7.335 1.00 0.00 C ATOM 463 CG PRO A 34 5.132 -8.494 6.371 1.00 0.00 C ATOM 464 CD PRO A 34 3.947 -7.667 6.843 1.00 0.00 C ATOM 0 HA PRO A 34 6.187 -7.155 9.194 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.214 -8.080 6.796 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.441 -9.118 7.978 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.417 -8.210 5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.873 -9.552 6.344 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.589 -7.003 6.056 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.109 -8.303 7.130 1.00 0.00 H new ATOM 472 N GLU A 35 7.514 -5.291 8.545 1.00 0.00 N ATOM 473 CA GLU A 35 8.270 -4.087 8.245 1.00 0.00 C ATOM 474 C GLU A 35 9.187 -4.322 7.043 1.00 0.00 C ATOM 475 O GLU A 35 9.697 -3.371 6.452 1.00 0.00 O ATOM 476 CB GLU A 35 9.070 -3.625 9.464 1.00 0.00 C ATOM 477 CG GLU A 35 10.033 -4.717 9.934 1.00 0.00 C ATOM 478 CD GLU A 35 9.771 -5.088 11.395 1.00 0.00 C ATOM 479 OE1 GLU A 35 8.709 -5.700 11.643 1.00 0.00 O ATOM 480 OE2 GLU A 35 10.638 -4.752 12.230 1.00 0.00 O ATOM 0 H GLU A 35 7.743 -5.727 9.438 1.00 0.00 H new ATOM 0 HA GLU A 35 7.567 -3.293 7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.630 -2.724 9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.388 -3.364 10.273 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.921 -5.600 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.061 -4.373 9.821 1.00 0.00 H new ATOM 487 N ASP A 36 9.369 -5.593 6.718 1.00 0.00 N ATOM 488 CA ASP A 36 10.216 -5.965 5.597 1.00 0.00 C ATOM 489 C ASP A 36 9.446 -5.759 4.291 1.00 0.00 C ATOM 490 O ASP A 36 10.042 -5.478 3.252 1.00 0.00 O ATOM 491 CB ASP A 36 10.624 -7.437 5.679 1.00 0.00 C ATOM 492 CG ASP A 36 12.104 -7.682 5.977 1.00 0.00 C ATOM 493 OD1 ASP A 36 12.537 -7.273 7.076 1.00 0.00 O ATOM 494 OD2 ASP A 36 12.770 -8.273 5.099 1.00 0.00 O ATOM 0 H ASP A 36 8.945 -6.379 7.211 1.00 0.00 H new ATOM 0 HA ASP A 36 11.110 -5.342 5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.028 -7.921 6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.374 -7.921 4.735 1.00 0.00 H new ATOM 499 N LEU A 37 8.133 -5.907 4.386 1.00 0.00 N ATOM 500 CA LEU A 37 7.275 -5.742 3.225 1.00 0.00 C ATOM 501 C LEU A 37 6.847 -4.277 3.118 1.00 0.00 C ATOM 502 O LEU A 37 6.611 -3.774 2.020 1.00 0.00 O ATOM 503 CB LEU A 37 6.102 -6.723 3.281 1.00 0.00 C ATOM 504 CG LEU A 37 6.461 -8.205 3.163 1.00 0.00 C ATOM 505 CD1 LEU A 37 5.203 -9.064 3.020 1.00 0.00 C ATOM 506 CD2 LEU A 37 7.448 -8.440 2.017 1.00 0.00 C ATOM 0 H LEU A 37 7.642 -6.139 5.249 1.00 0.00 H new ATOM 0 HA LEU A 37 7.819 -5.984 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.572 -6.572 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.407 -6.473 2.480 1.00 0.00 H new ATOM 0 HG LEU A 37 6.957 -8.511 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.486 -10.113 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.568 -8.927 3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.658 -8.764 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.687 -9.502 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.000 -8.113 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.361 -7.873 2.201 1.00 0.00 H new ATOM 518 N ARG A 38 6.759 -3.633 4.273 1.00 0.00 N ATOM 519 CA ARG A 38 6.363 -2.236 4.322 1.00 0.00 C ATOM 520 C ARG A 38 7.323 -1.382 3.491 1.00 0.00 C ATOM 521 O ARG A 38 6.983 -0.952 2.390 1.00 0.00 O ATOM 522 CB ARG A 38 6.348 -1.718 5.762 1.00 0.00 C ATOM 523 CG ARG A 38 4.948 -1.827 6.369 1.00 0.00 C ATOM 524 CD ARG A 38 4.993 -2.522 7.731 1.00 0.00 C ATOM 525 NE ARG A 38 5.636 -1.639 8.729 1.00 0.00 N ATOM 526 CZ ARG A 38 6.112 -2.059 9.909 1.00 0.00 C ATOM 527 NH1 ARG A 38 6.020 -3.353 10.246 1.00 0.00 N ATOM 528 NH2 ARG A 38 6.680 -1.186 10.752 1.00 0.00 N ATOM 0 H ARG A 38 6.955 -4.053 5.182 1.00 0.00 H new ATOM 0 HA ARG A 38 5.356 -2.163 3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.055 -2.288 6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.677 -0.679 5.782 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.517 -0.832 6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.298 -2.383 5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.983 -2.774 8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.545 -3.458 7.653 1.00 0.00 H new ATOM 0 HE ARG A 38 5.722 -0.648 8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.588 -4.018 9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.382 -3.673 11.144 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.750 -0.201 10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.042 -1.506 11.650 1.00 0.00 H new ATOM 542 N THR A 39 8.504 -1.163 4.050 1.00 0.00 N ATOM 543 CA THR A 39 9.516 -0.368 3.374 1.00 0.00 C ATOM 544 C THR A 39 9.501 -0.653 1.871 1.00 0.00 C ATOM 545 O THR A 39 9.491 0.273 1.061 1.00 0.00 O ATOM 546 CB THR A 39 10.865 -0.660 4.035 1.00 0.00 C ATOM 547 OG1 THR A 39 10.701 -0.205 5.375 1.00 0.00 O ATOM 548 CG2 THR A 39 11.991 0.215 3.479 1.00 0.00 C ATOM 0 H THR A 39 8.783 -1.522 4.963 1.00 0.00 H new ATOM 0 HA THR A 39 9.313 0.698 3.473 1.00 0.00 H new ATOM 0 HB THR A 39 11.118 -1.711 3.894 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.529 -0.358 5.876 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.926 -0.032 3.982 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.096 0.036 2.409 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.754 1.265 3.650 1.00 0.00 H new ATOM 556 N GLU A 40 9.500 -1.937 1.544 1.00 0.00 N ATOM 557 CA GLU A 40 9.487 -2.354 0.152 1.00 0.00 C ATOM 558 C GLU A 40 8.336 -1.676 -0.594 1.00 0.00 C ATOM 559 O GLU A 40 8.534 -1.120 -1.673 1.00 0.00 O ATOM 560 CB GLU A 40 9.392 -3.877 0.038 1.00 0.00 C ATOM 561 CG GLU A 40 10.778 -4.500 -0.145 1.00 0.00 C ATOM 562 CD GLU A 40 11.579 -4.448 1.158 1.00 0.00 C ATOM 563 OE1 GLU A 40 11.885 -3.316 1.591 1.00 0.00 O ATOM 564 OE2 GLU A 40 11.866 -5.542 1.691 1.00 0.00 O ATOM 0 H GLU A 40 9.508 -2.702 2.219 1.00 0.00 H new ATOM 0 HA GLU A 40 10.425 -2.045 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.922 -4.284 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.755 -4.143 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.675 -5.535 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.318 -3.970 -0.930 1.00 0.00 H new ATOM 571 N LEU A 41 7.159 -1.744 0.010 1.00 0.00 N ATOM 572 CA LEU A 41 5.977 -1.144 -0.584 1.00 0.00 C ATOM 573 C LEU A 41 6.030 0.373 -0.393 1.00 0.00 C ATOM 574 O LEU A 41 6.058 1.125 -1.366 1.00 0.00 O ATOM 575 CB LEU A 41 4.709 -1.790 -0.024 1.00 0.00 C ATOM 576 CG LEU A 41 3.385 -1.164 -0.468 1.00 0.00 C ATOM 577 CD1 LEU A 41 2.241 -2.177 -0.374 1.00 0.00 C ATOM 578 CD2 LEU A 41 3.088 0.110 0.325 1.00 0.00 C ATOM 0 H LEU A 41 6.999 -2.206 0.905 1.00 0.00 H new ATOM 0 HA LEU A 41 5.954 -1.330 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.704 -2.842 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.758 -1.755 1.064 1.00 0.00 H new ATOM 0 HG LEU A 41 3.477 -0.877 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.311 -1.707 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.457 -3.030 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.139 -2.516 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.142 0.535 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.023 -0.129 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.888 0.833 0.164 1.00 0.00 H new ATOM 590 N MET A 42 6.043 0.779 0.869 1.00 0.00 N ATOM 591 CA MET A 42 6.092 2.192 1.200 1.00 0.00 C ATOM 592 C MET A 42 6.965 2.959 0.204 1.00 0.00 C ATOM 593 O MET A 42 6.497 3.894 -0.445 1.00 0.00 O ATOM 594 CB MET A 42 6.655 2.367 2.612 1.00 0.00 C ATOM 595 CG MET A 42 5.707 1.777 3.657 1.00 0.00 C ATOM 596 SD MET A 42 4.143 2.637 3.618 1.00 0.00 S ATOM 597 CE MET A 42 3.040 1.260 3.345 1.00 0.00 C ATOM 0 H MET A 42 6.020 0.153 1.674 1.00 0.00 H new ATOM 0 HA MET A 42 5.079 2.592 1.151 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.628 1.880 2.682 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.813 3.426 2.816 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.553 0.716 3.462 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.151 1.857 4.649 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.104 1.433 3.876 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.839 1.160 2.278 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.502 0.345 3.714 1.00 0.00 H new ATOM 607 N GLN A 43 8.217 2.535 0.114 1.00 0.00 N ATOM 608 CA GLN A 43 9.159 3.170 -0.792 1.00 0.00 C ATOM 609 C GLN A 43 8.679 3.033 -2.238 1.00 0.00 C ATOM 610 O GLN A 43 8.690 4.003 -2.995 1.00 0.00 O ATOM 611 CB GLN A 43 10.562 2.584 -0.623 1.00 0.00 C ATOM 612 CG GLN A 43 10.717 1.290 -1.424 1.00 0.00 C ATOM 613 CD GLN A 43 12.115 0.696 -1.241 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.510 0.292 -0.160 1.00 0.00 O ATOM 615 NE2 GLN A 43 12.839 0.665 -2.356 1.00 0.00 N ATOM 0 H GLN A 43 8.601 1.759 0.654 1.00 0.00 H new ATOM 0 HA GLN A 43 9.211 4.231 -0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.305 3.310 -0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.753 2.388 0.432 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.966 0.568 -1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.538 1.489 -2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.447 1.020 -3.228 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.786 0.286 -2.339 1.00 0.00 H new ATOM 624 N THR A 44 8.268 1.820 -2.580 1.00 0.00 N ATOM 625 CA THR A 44 7.784 1.544 -3.922 1.00 0.00 C ATOM 626 C THR A 44 6.680 2.531 -4.304 1.00 0.00 C ATOM 627 O THR A 44 6.794 3.239 -5.304 1.00 0.00 O ATOM 628 CB THR A 44 7.337 0.082 -3.972 1.00 0.00 C ATOM 629 OG1 THR A 44 8.542 -0.642 -4.205 1.00 0.00 O ATOM 630 CG2 THR A 44 6.474 -0.225 -5.197 1.00 0.00 C ATOM 0 H THR A 44 8.260 1.017 -1.951 1.00 0.00 H new ATOM 0 HA THR A 44 8.571 1.683 -4.663 1.00 0.00 H new ATOM 0 HB THR A 44 6.780 -0.158 -3.067 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.012 -0.777 -3.356 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.184 -1.276 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.580 0.398 -5.178 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.042 -0.017 -6.104 1.00 0.00 H new ATOM 638 N LEU A 45 5.636 2.547 -3.489 1.00 0.00 N ATOM 639 CA LEU A 45 4.511 3.435 -3.729 1.00 0.00 C ATOM 640 C LEU A 45 4.975 4.887 -3.590 1.00 0.00 C ATOM 641 O LEU A 45 4.313 5.803 -4.076 1.00 0.00 O ATOM 642 CB LEU A 45 3.338 3.074 -2.816 1.00 0.00 C ATOM 643 CG LEU A 45 2.679 1.718 -3.076 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.783 1.311 -1.904 1.00 0.00 C ATOM 645 CD2 LEU A 45 1.920 1.722 -4.404 1.00 0.00 C ATOM 0 H LEU A 45 5.545 1.959 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 45 4.140 3.314 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.687 3.094 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.578 3.849 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 45 3.464 0.966 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.326 0.344 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.382 1.240 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.002 2.059 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.461 0.746 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.144 2.487 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.613 1.935 -5.218 1.00 0.00 H new ATOM 657 N GLY A 46 6.108 5.051 -2.924 1.00 0.00 N ATOM 658 CA GLY A 46 6.668 6.375 -2.715 1.00 0.00 C ATOM 659 C GLY A 46 7.221 6.950 -4.021 1.00 0.00 C ATOM 660 O GLY A 46 7.498 8.145 -4.109 1.00 0.00 O ATOM 0 H GLY A 46 6.654 4.289 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.901 7.039 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.463 6.324 -1.971 1.00 0.00 H new ATOM 664 N SER A 47 7.365 6.071 -5.002 1.00 0.00 N ATOM 665 CA SER A 47 7.879 6.476 -6.299 1.00 0.00 C ATOM 666 C SER A 47 6.806 7.247 -7.071 1.00 0.00 C ATOM 667 O SER A 47 7.058 8.347 -7.560 1.00 0.00 O ATOM 668 CB SER A 47 8.347 5.265 -7.108 1.00 0.00 C ATOM 669 OG SER A 47 9.364 5.610 -8.046 1.00 0.00 O ATOM 0 H SER A 47 7.135 5.080 -4.925 1.00 0.00 H new ATOM 0 HA SER A 47 8.739 7.126 -6.138 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.724 4.500 -6.430 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.498 4.832 -7.637 1.00 0.00 H new ATOM 0 HG SER A 47 9.637 4.810 -8.541 1.00 0.00 H new ATOM 675 N TYR A 48 5.632 6.639 -7.155 1.00 0.00 N ATOM 676 CA TYR A 48 4.519 7.255 -7.858 1.00 0.00 C ATOM 677 C TYR A 48 4.242 8.661 -7.322 1.00 0.00 C ATOM 678 O TYR A 48 4.211 9.625 -8.085 1.00 0.00 O ATOM 679 CB TYR A 48 3.304 6.368 -7.583 1.00 0.00 C ATOM 680 CG TYR A 48 3.223 5.128 -8.477 1.00 0.00 C ATOM 681 CD1 TYR A 48 2.800 5.247 -9.785 1.00 0.00 C ATOM 682 CD2 TYR A 48 3.573 3.892 -7.974 1.00 0.00 C ATOM 683 CE1 TYR A 48 2.725 4.080 -10.625 1.00 0.00 C ATOM 684 CE2 TYR A 48 3.497 2.725 -8.814 1.00 0.00 C ATOM 685 CZ TYR A 48 3.077 2.877 -10.099 1.00 0.00 C ATOM 686 OH TYR A 48 3.005 1.775 -10.892 1.00 0.00 O ATOM 0 H TYR A 48 5.427 5.726 -6.748 1.00 0.00 H new ATOM 0 HA TYR A 48 4.739 7.344 -8.922 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.327 6.051 -6.540 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.398 6.959 -7.716 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.525 6.215 -10.178 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.904 3.800 -6.950 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.396 4.159 -11.651 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.767 1.751 -8.433 1.00 0.00 H new ATOM 0 HH TYR A 48 3.288 0.987 -10.383 1.00 0.00 H new ATOM 696 N GLY A 49 4.047 8.732 -6.013 1.00 0.00 N ATOM 697 CA GLY A 49 3.773 10.004 -5.366 1.00 0.00 C ATOM 698 C GLY A 49 4.827 10.316 -4.301 1.00 0.00 C ATOM 699 O GLY A 49 6.026 10.238 -4.568 1.00 0.00 O ATOM 0 H GLY A 49 4.073 7.930 -5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.757 10.799 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.784 9.977 -4.908 1.00 0.00 H new ATOM 703 N THR A 50 4.343 10.662 -3.118 1.00 0.00 N ATOM 704 CA THR A 50 5.228 10.985 -2.012 1.00 0.00 C ATOM 705 C THR A 50 4.575 10.612 -0.680 1.00 0.00 C ATOM 706 O THR A 50 3.480 11.078 -0.369 1.00 0.00 O ATOM 707 CB THR A 50 5.592 12.468 -2.116 1.00 0.00 C ATOM 708 OG1 THR A 50 6.956 12.462 -2.529 1.00 0.00 O ATOM 709 CG2 THR A 50 5.618 13.161 -0.753 1.00 0.00 C ATOM 0 H THR A 50 3.348 10.726 -2.901 1.00 0.00 H new ATOM 0 HA THR A 50 6.149 10.405 -2.060 1.00 0.00 H new ATOM 0 HB THR A 50 4.877 12.973 -2.766 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.074 11.817 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.881 14.211 -0.883 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.634 13.089 -0.289 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.357 12.678 -0.113 1.00 0.00 H new ATOM 717 N ILE A 51 5.276 9.775 0.072 1.00 0.00 N ATOM 718 CA ILE A 51 4.778 9.334 1.364 1.00 0.00 C ATOM 719 C ILE A 51 4.928 10.470 2.378 1.00 0.00 C ATOM 720 O ILE A 51 6.036 10.766 2.824 1.00 0.00 O ATOM 721 CB ILE A 51 5.467 8.035 1.788 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.219 6.924 0.766 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.040 7.624 3.198 1.00 0.00 C ATOM 724 CD1 ILE A 51 3.759 6.467 0.796 1.00 0.00 C ATOM 0 H ILE A 51 6.184 9.391 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 51 3.715 9.099 1.304 1.00 0.00 H new ATOM 0 HB ILE A 51 6.542 8.211 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.472 7.281 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.873 6.078 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.544 6.698 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.310 8.410 3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.961 7.471 3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.610 5.677 0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.517 6.088 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.109 7.310 0.560 1.00 0.00 H new ATOM 736 N VAL A 52 3.798 11.074 2.713 1.00 0.00 N ATOM 737 CA VAL A 52 3.790 12.170 3.667 1.00 0.00 C ATOM 738 C VAL A 52 3.513 11.620 5.067 1.00 0.00 C ATOM 739 O VAL A 52 3.786 12.287 6.065 1.00 0.00 O ATOM 740 CB VAL A 52 2.779 13.234 3.232 1.00 0.00 C ATOM 741 CG1 VAL A 52 2.892 13.517 1.732 1.00 0.00 C ATOM 742 CG2 VAL A 52 1.354 12.823 3.607 1.00 0.00 C ATOM 0 H VAL A 52 2.881 10.825 2.341 1.00 0.00 H new ATOM 0 HA VAL A 52 4.764 12.658 3.697 1.00 0.00 H new ATOM 0 HB VAL A 52 3.012 14.156 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.163 14.276 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.896 13.875 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.698 12.601 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.656 13.596 3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.105 11.883 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.284 12.696 4.687 1.00 0.00 H new ATOM 752 N LEU A 53 2.976 10.410 5.098 1.00 0.00 N ATOM 753 CA LEU A 53 2.660 9.763 6.360 1.00 0.00 C ATOM 754 C LEU A 53 2.058 8.383 6.084 1.00 0.00 C ATOM 755 O LEU A 53 1.518 8.142 5.005 1.00 0.00 O ATOM 756 CB LEU A 53 1.767 10.663 7.215 1.00 0.00 C ATOM 757 CG LEU A 53 2.247 10.922 8.644 1.00 0.00 C ATOM 758 CD1 LEU A 53 2.586 9.610 9.354 1.00 0.00 C ATOM 759 CD2 LEU A 53 3.422 11.902 8.659 1.00 0.00 C ATOM 0 H LEU A 53 2.751 9.860 4.269 1.00 0.00 H new ATOM 0 HA LEU A 53 3.566 9.605 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.661 11.623 6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.774 10.216 7.262 1.00 0.00 H new ATOM 0 HG LEU A 53 1.433 11.388 9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.925 9.822 10.368 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.699 8.977 9.392 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.376 9.094 8.808 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.744 12.069 9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.249 11.487 8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.111 12.849 8.218 1.00 0.00 H new ATOM 771 N VAL A 54 2.172 7.514 7.077 1.00 0.00 N ATOM 772 CA VAL A 54 1.646 6.165 6.955 1.00 0.00 C ATOM 773 C VAL A 54 1.247 5.651 8.340 1.00 0.00 C ATOM 774 O VAL A 54 2.026 5.738 9.287 1.00 0.00 O ATOM 775 CB VAL A 54 2.667 5.266 6.255 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.100 5.867 4.916 1.00 0.00 C ATOM 777 CG2 VAL A 54 3.877 5.006 7.156 1.00 0.00 C ATOM 0 H VAL A 54 2.621 7.718 7.970 1.00 0.00 H new ATOM 0 HA VAL A 54 0.749 6.159 6.335 1.00 0.00 H new ATOM 0 HB VAL A 54 2.187 4.308 6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.826 5.208 4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.230 5.978 4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.553 6.844 5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.588 4.364 6.635 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.357 5.953 7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.549 4.515 8.072 1.00 0.00 H new ATOM 787 N ARG A 55 0.032 5.126 8.413 1.00 0.00 N ATOM 788 CA ARG A 55 -0.480 4.598 9.666 1.00 0.00 C ATOM 789 C ARG A 55 -0.890 3.133 9.497 1.00 0.00 C ATOM 790 O ARG A 55 -1.632 2.795 8.575 1.00 0.00 O ATOM 791 CB ARG A 55 -1.685 5.405 10.152 1.00 0.00 C ATOM 792 CG ARG A 55 -2.020 5.069 11.607 1.00 0.00 C ATOM 793 CD ARG A 55 -2.749 6.231 12.285 1.00 0.00 C ATOM 794 NE ARG A 55 -2.123 6.528 13.593 1.00 0.00 N ATOM 795 CZ ARG A 55 -0.884 7.016 13.739 1.00 0.00 C ATOM 796 NH1 ARG A 55 -0.130 7.265 12.660 1.00 0.00 N ATOM 797 NH2 ARG A 55 -0.399 7.255 14.965 1.00 0.00 N ATOM 0 H ARG A 55 -0.612 5.055 7.625 1.00 0.00 H new ATOM 0 HA ARG A 55 0.316 4.673 10.407 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.474 6.471 10.060 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.547 5.195 9.519 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.642 4.174 11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.103 4.843 12.152 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.714 7.114 11.647 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.800 5.980 12.425 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.669 6.350 14.436 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.499 7.083 11.727 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.813 7.637 12.772 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.973 7.065 15.786 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.544 7.627 15.077 1.00 0.00 H new ATOM 811 N ILE A 56 -0.390 2.304 10.400 1.00 0.00 N ATOM 812 CA ILE A 56 -0.695 0.884 10.362 1.00 0.00 C ATOM 813 C ILE A 56 -1.745 0.563 11.428 1.00 0.00 C ATOM 814 O ILE A 56 -1.699 1.103 12.532 1.00 0.00 O ATOM 815 CB ILE A 56 0.585 0.057 10.493 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.113 -0.358 9.118 1.00 0.00 C ATOM 817 CG2 ILE A 56 0.369 -1.148 11.411 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.400 -1.175 9.247 1.00 0.00 C ATOM 0 H ILE A 56 0.225 2.588 11.163 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.125 0.613 9.398 1.00 0.00 H new ATOM 0 HB ILE A 56 1.348 0.682 10.956 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.357 -0.945 8.596 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.301 0.530 8.514 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.295 -1.719 11.486 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.074 -0.802 12.402 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.416 -1.783 11.000 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.753 -1.457 8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.162 -0.577 9.747 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.203 -2.074 9.831 1.00 0.00 H new ATOM 830 N ASN A 57 -2.668 -0.314 11.060 1.00 0.00 N ATOM 831 CA ASN A 57 -3.727 -0.713 11.971 1.00 0.00 C ATOM 832 C ASN A 57 -3.520 -2.172 12.379 1.00 0.00 C ATOM 833 O ASN A 57 -2.805 -2.914 11.707 1.00 0.00 O ATOM 834 CB ASN A 57 -5.099 -0.598 11.303 1.00 0.00 C ATOM 835 CG ASN A 57 -6.220 -0.643 12.343 1.00 0.00 C ATOM 836 OD1 ASN A 57 -6.186 0.029 13.361 1.00 0.00 O ATOM 837 ND2 ASN A 57 -7.214 -1.471 12.032 1.00 0.00 N ATOM 0 H ASN A 57 -2.704 -0.759 10.143 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.692 -0.055 12.839 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.157 0.334 10.741 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.229 -1.410 10.588 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.010 -1.572 12.662 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.180 -2.005 11.163 1.00 0.00 H new ATOM 844 N GLN A 58 -4.160 -2.542 13.479 1.00 0.00 N ATOM 845 CA GLN A 58 -4.055 -3.900 13.985 1.00 0.00 C ATOM 846 C GLN A 58 -3.566 -4.841 12.882 1.00 0.00 C ATOM 847 O GLN A 58 -2.553 -5.520 13.044 1.00 0.00 O ATOM 848 CB GLN A 58 -5.390 -4.376 14.560 1.00 0.00 C ATOM 849 CG GLN A 58 -5.339 -4.439 16.088 1.00 0.00 C ATOM 850 CD GLN A 58 -5.212 -5.885 16.573 1.00 0.00 C ATOM 851 OE1 GLN A 58 -6.176 -6.629 16.647 1.00 0.00 O ATOM 852 NE2 GLN A 58 -3.972 -6.240 16.897 1.00 0.00 N ATOM 0 H GLN A 58 -4.753 -1.925 14.034 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.325 -3.910 14.794 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.186 -3.701 14.247 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.632 -5.361 14.160 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.494 -3.854 16.452 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.241 -3.990 16.504 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.210 -5.567 16.811 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.783 -7.185 17.231 1.00 0.00 H new ATOM 861 N GLY A 59 -4.309 -4.852 11.785 1.00 0.00 N ATOM 862 CA GLY A 59 -3.964 -5.698 10.656 1.00 0.00 C ATOM 863 C GLY A 59 -4.216 -4.975 9.331 1.00 0.00 C ATOM 864 O GLY A 59 -4.865 -5.516 8.438 1.00 0.00 O ATOM 0 H GLY A 59 -5.149 -4.288 11.654 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.916 -5.989 10.722 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.552 -6.615 10.691 1.00 0.00 H new ATOM 868 N GLN A 60 -3.689 -3.762 9.247 1.00 0.00 N ATOM 869 CA GLN A 60 -3.849 -2.959 8.046 1.00 0.00 C ATOM 870 C GLN A 60 -2.714 -1.939 7.935 1.00 0.00 C ATOM 871 O GLN A 60 -1.949 -1.751 8.880 1.00 0.00 O ATOM 872 CB GLN A 60 -5.213 -2.266 8.027 1.00 0.00 C ATOM 873 CG GLN A 60 -5.611 -1.877 6.602 1.00 0.00 C ATOM 874 CD GLN A 60 -5.365 -0.388 6.351 1.00 0.00 C ATOM 875 OE1 GLN A 60 -4.607 0.004 5.479 1.00 0.00 O ATOM 876 NE2 GLN A 60 -6.046 0.417 7.162 1.00 0.00 N ATOM 0 H GLN A 60 -3.151 -3.316 9.990 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.803 -3.621 7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.967 -2.929 8.451 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.181 -1.376 8.655 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.040 -2.469 5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.664 -2.108 6.439 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.664 0.023 7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.950 1.429 7.075 1.00 0.00 H new ATOM 885 N MET A 61 -2.642 -1.306 6.773 1.00 0.00 N ATOM 886 CA MET A 61 -1.613 -0.310 6.527 1.00 0.00 C ATOM 887 C MET A 61 -2.124 0.785 5.589 1.00 0.00 C ATOM 888 O MET A 61 -2.163 0.599 4.373 1.00 0.00 O ATOM 889 CB MET A 61 -0.388 -0.984 5.906 1.00 0.00 C ATOM 890 CG MET A 61 0.487 0.037 5.175 1.00 0.00 C ATOM 891 SD MET A 61 0.744 1.471 6.206 1.00 0.00 S ATOM 892 CE MET A 61 2.494 1.318 6.520 1.00 0.00 C ATOM 0 H MET A 61 -3.279 -1.463 5.992 1.00 0.00 H new ATOM 0 HA MET A 61 -1.343 0.149 7.478 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.195 -1.476 6.685 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.709 -1.759 5.209 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.446 -0.412 4.917 1.00 0.00 H new ATOM 0 HG3 MET A 61 0.012 0.332 4.240 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.669 1.278 7.595 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.868 0.405 6.058 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.016 2.178 6.099 1.00 0.00 H new ATOM 902 N LEU A 62 -2.504 1.904 6.188 1.00 0.00 N ATOM 903 CA LEU A 62 -3.012 3.029 5.421 1.00 0.00 C ATOM 904 C LEU A 62 -1.868 4.007 5.142 1.00 0.00 C ATOM 905 O LEU A 62 -1.221 4.492 6.068 1.00 0.00 O ATOM 906 CB LEU A 62 -4.206 3.667 6.133 1.00 0.00 C ATOM 907 CG LEU A 62 -3.898 4.389 7.446 1.00 0.00 C ATOM 908 CD1 LEU A 62 -4.368 5.844 7.396 1.00 0.00 C ATOM 909 CD2 LEU A 62 -4.492 3.636 8.638 1.00 0.00 C ATOM 0 H LEU A 62 -2.470 2.056 7.196 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.389 2.693 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.672 4.378 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.942 2.889 6.334 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.816 4.405 7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.137 6.334 8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.858 6.363 6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.444 5.873 7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.259 4.170 9.559 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.574 3.567 8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.067 2.633 8.683 1.00 0.00 H new ATOM 921 N VAL A 63 -1.655 4.267 3.860 1.00 0.00 N ATOM 922 CA VAL A 63 -0.601 5.178 3.447 1.00 0.00 C ATOM 923 C VAL A 63 -1.221 6.514 3.034 1.00 0.00 C ATOM 924 O VAL A 63 -2.339 6.552 2.524 1.00 0.00 O ATOM 925 CB VAL A 63 0.237 4.540 2.337 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.118 5.583 1.647 1.00 0.00 C ATOM 927 CG2 VAL A 63 1.079 3.384 2.882 1.00 0.00 C ATOM 0 H VAL A 63 -2.194 3.863 3.094 1.00 0.00 H new ATOM 0 HA VAL A 63 0.078 5.377 4.276 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.447 4.134 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.703 5.103 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.489 6.358 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.790 6.032 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.665 2.948 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.750 3.756 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.423 2.624 3.305 1.00 0.00 H new ATOM 937 N THR A 64 -0.468 7.578 3.272 1.00 0.00 N ATOM 938 CA THR A 64 -0.929 8.913 2.931 1.00 0.00 C ATOM 939 C THR A 64 -0.016 9.541 1.877 1.00 0.00 C ATOM 940 O THR A 64 1.183 9.265 1.845 1.00 0.00 O ATOM 941 CB THR A 64 -1.015 9.728 4.223 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.910 8.982 5.045 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.722 11.070 4.024 1.00 0.00 C ATOM 0 H THR A 64 0.459 7.542 3.697 1.00 0.00 H new ATOM 0 HA THR A 64 -1.921 8.885 2.480 1.00 0.00 H new ATOM 0 HB THR A 64 -0.011 9.902 4.610 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.022 9.439 5.905 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.756 11.608 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.177 11.663 3.290 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.738 10.897 3.669 1.00 0.00 H new ATOM 951 N PHE A 65 -0.616 10.372 1.038 1.00 0.00 N ATOM 952 CA PHE A 65 0.128 11.041 -0.015 1.00 0.00 C ATOM 953 C PHE A 65 -0.163 12.543 -0.023 1.00 0.00 C ATOM 954 O PHE A 65 -1.140 12.993 0.573 1.00 0.00 O ATOM 955 CB PHE A 65 -0.334 10.437 -1.342 1.00 0.00 C ATOM 956 CG PHE A 65 0.181 9.018 -1.593 1.00 0.00 C ATOM 957 CD1 PHE A 65 -0.428 7.959 -0.995 1.00 0.00 C ATOM 958 CD2 PHE A 65 1.247 8.816 -2.412 1.00 0.00 C ATOM 959 CE1 PHE A 65 0.049 6.642 -1.228 1.00 0.00 C ATOM 960 CE2 PHE A 65 1.724 7.499 -2.645 1.00 0.00 C ATOM 961 CZ PHE A 65 1.116 6.440 -2.048 1.00 0.00 C ATOM 0 H PHE A 65 -1.610 10.597 1.066 1.00 0.00 H new ATOM 0 HA PHE A 65 1.198 10.907 0.143 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.424 10.426 -1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.005 11.081 -2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.274 8.120 -0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.731 9.657 -2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.435 5.801 -0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.570 7.339 -3.297 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.480 5.438 -2.224 1.00 0.00 H new ATOM 971 N ALA A 66 0.704 13.278 -0.705 1.00 0.00 N ATOM 972 CA ALA A 66 0.552 14.720 -0.799 1.00 0.00 C ATOM 973 C ALA A 66 -0.457 15.052 -1.900 1.00 0.00 C ATOM 974 O ALA A 66 -1.272 15.960 -1.748 1.00 0.00 O ATOM 975 CB ALA A 66 1.918 15.362 -1.047 1.00 0.00 C ATOM 0 H ALA A 66 1.514 12.902 -1.198 1.00 0.00 H new ATOM 0 HA ALA A 66 0.165 15.127 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.804 16.444 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.589 15.121 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.336 14.980 -1.978 1.00 0.00 H new ATOM 981 N ASP A 67 -0.369 14.297 -2.986 1.00 0.00 N ATOM 982 CA ASP A 67 -1.264 14.500 -4.113 1.00 0.00 C ATOM 983 C ASP A 67 -2.258 13.339 -4.184 1.00 0.00 C ATOM 984 O ASP A 67 -1.917 12.204 -3.852 1.00 0.00 O ATOM 985 CB ASP A 67 -0.489 14.540 -5.431 1.00 0.00 C ATOM 986 CG ASP A 67 -0.252 15.941 -5.999 1.00 0.00 C ATOM 987 OD1 ASP A 67 0.566 16.668 -5.394 1.00 0.00 O ATOM 988 OD2 ASP A 67 -0.894 16.254 -7.025 1.00 0.00 O ATOM 0 H ASP A 67 0.308 13.544 -3.109 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.779 15.450 -3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.476 14.056 -5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.030 13.951 -6.171 1.00 0.00 H new ATOM 993 N SER A 68 -3.467 13.663 -4.619 1.00 0.00 N ATOM 994 CA SER A 68 -4.512 12.661 -4.739 1.00 0.00 C ATOM 995 C SER A 68 -4.361 11.901 -6.058 1.00 0.00 C ATOM 996 O SER A 68 -4.988 10.861 -6.255 1.00 0.00 O ATOM 997 CB SER A 68 -5.900 13.299 -4.651 1.00 0.00 C ATOM 998 OG SER A 68 -6.023 14.428 -5.511 1.00 0.00 O ATOM 0 H SER A 68 -3.746 14.605 -4.893 1.00 0.00 H new ATOM 0 HA SER A 68 -4.410 11.961 -3.910 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.656 12.559 -4.913 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.095 13.603 -3.623 1.00 0.00 H new ATOM 0 HG SER A 68 -6.923 14.806 -5.428 1.00 0.00 H new ATOM 1004 N HIS A 69 -3.524 12.449 -6.927 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.283 11.835 -8.222 1.00 0.00 C ATOM 1006 C HIS A 69 -2.468 10.554 -8.038 1.00 0.00 C ATOM 1007 O HIS A 69 -2.917 9.470 -8.407 1.00 0.00 O ATOM 1008 CB HIS A 69 -2.619 12.828 -9.178 1.00 0.00 C ATOM 1009 CG HIS A 69 -3.169 14.231 -9.085 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -2.445 15.347 -9.470 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -4.378 14.688 -8.650 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -3.195 16.421 -9.269 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -4.392 16.010 -8.761 1.00 0.00 N ATOM 0 H HIS A 69 -3.005 13.311 -6.760 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.232 11.558 -8.680 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.549 12.854 -8.973 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.739 12.469 -10.200 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.187 14.077 -8.278 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.909 17.442 -9.472 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.170 16.619 -8.508 1.00 0.00 H new ATOM 1021 N SER A 70 -1.283 10.720 -7.468 1.00 0.00 N ATOM 1022 CA SER A 70 -0.401 9.590 -7.231 1.00 0.00 C ATOM 1023 C SER A 70 -1.183 8.441 -6.592 1.00 0.00 C ATOM 1024 O SER A 70 -1.070 7.294 -7.021 1.00 0.00 O ATOM 1025 CB SER A 70 0.778 9.989 -6.342 1.00 0.00 C ATOM 1026 OG SER A 70 0.349 10.582 -5.120 1.00 0.00 O ATOM 0 H SER A 70 -0.913 11.621 -7.163 1.00 0.00 H new ATOM 0 HA SER A 70 -0.002 9.260 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.382 9.108 -6.125 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.417 10.689 -6.880 1.00 0.00 H new ATOM 0 HG SER A 70 0.566 9.986 -4.373 1.00 0.00 H new ATOM 1032 N ALA A 71 -1.959 8.789 -5.576 1.00 0.00 N ATOM 1033 CA ALA A 71 -2.760 7.801 -4.873 1.00 0.00 C ATOM 1034 C ALA A 71 -3.656 7.071 -5.875 1.00 0.00 C ATOM 1035 O ALA A 71 -3.661 5.842 -5.928 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.562 8.488 -3.765 1.00 0.00 C ATOM 0 H ALA A 71 -2.050 9.742 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.121 7.056 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.163 7.747 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.878 8.966 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.217 9.241 -4.203 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.393 7.858 -6.644 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.292 7.302 -7.642 1.00 0.00 C ATOM 1044 C LEU A 72 -4.587 6.159 -8.375 1.00 0.00 C ATOM 1045 O LEU A 72 -5.114 5.050 -8.456 1.00 0.00 O ATOM 1046 CB LEU A 72 -5.809 8.402 -8.571 1.00 0.00 C ATOM 1047 CG LEU A 72 -7.253 8.251 -9.051 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -7.589 9.296 -10.117 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -7.522 6.826 -9.540 1.00 0.00 C ATOM 0 H LEU A 72 -4.386 8.877 -6.597 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.176 6.879 -7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.717 9.358 -8.056 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.159 8.447 -9.445 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.915 8.431 -8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.622 9.166 -10.441 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.462 10.295 -9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.923 9.172 -10.971 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.556 6.746 -9.876 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.852 6.593 -10.368 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.349 6.123 -8.725 1.00 0.00 H new ATOM 1061 N SER A 73 -3.407 6.468 -8.891 1.00 0.00 N ATOM 1062 CA SER A 73 -2.625 5.480 -9.615 1.00 0.00 C ATOM 1063 C SER A 73 -2.214 4.346 -8.674 1.00 0.00 C ATOM 1064 O SER A 73 -2.368 3.172 -9.008 1.00 0.00 O ATOM 1065 CB SER A 73 -1.387 6.116 -10.251 1.00 0.00 C ATOM 1066 OG SER A 73 -1.523 6.253 -11.663 1.00 0.00 O ATOM 0 H SER A 73 -2.973 7.389 -8.822 1.00 0.00 H new ATOM 0 HA SER A 73 -3.244 5.074 -10.415 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.214 7.096 -9.807 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.511 5.506 -10.029 1.00 0.00 H new ATOM 0 HG SER A 73 -0.713 6.664 -12.031 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.700 4.736 -7.518 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.266 3.766 -6.526 1.00 0.00 C ATOM 1074 C VAL A 74 -2.431 2.835 -6.186 1.00 0.00 C ATOM 1075 O VAL A 74 -2.220 1.684 -5.805 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.700 4.487 -5.301 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.543 3.525 -4.122 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.628 5.170 -5.632 1.00 0.00 C ATOM 0 H VAL A 74 -1.574 5.711 -7.245 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.461 3.148 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.411 5.260 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.139 4.063 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.515 3.106 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.137 2.719 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.009 5.675 -4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.349 4.422 -5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.474 5.900 -6.427 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.635 3.366 -6.337 1.00 0.00 N ATOM 1089 CA LEU A 75 -4.834 2.597 -6.051 1.00 0.00 C ATOM 1090 C LEU A 75 -5.027 1.538 -7.138 1.00 0.00 C ATOM 1091 O LEU A 75 -5.599 0.479 -6.884 1.00 0.00 O ATOM 1092 CB LEU A 75 -6.038 3.525 -5.876 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.331 3.981 -4.446 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -7.400 5.076 -4.428 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.712 2.794 -3.559 1.00 0.00 C ATOM 0 H LEU A 75 -3.806 4.320 -6.654 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.729 2.067 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.882 4.410 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.922 3.018 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.420 4.413 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.590 5.382 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.052 5.934 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.321 4.693 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.915 3.146 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.603 2.311 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.890 2.079 -3.536 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.538 1.860 -8.327 1.00 0.00 N ATOM 1108 CA ASP A 76 -4.650 0.950 -9.454 1.00 0.00 C ATOM 1109 C ASP A 76 -3.402 0.067 -9.516 1.00 0.00 C ATOM 1110 O ASP A 76 -3.462 -1.066 -9.990 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.753 1.717 -10.773 1.00 0.00 C ATOM 1112 CG ASP A 76 -5.653 1.070 -11.829 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -5.478 -0.147 -12.054 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -6.494 1.808 -12.385 1.00 0.00 O ATOM 0 H ASP A 76 -4.063 2.739 -8.534 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.549 0.350 -9.315 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.126 2.720 -10.565 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.752 1.829 -11.190 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.300 0.620 -9.030 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.039 -0.102 -9.025 1.00 0.00 C ATOM 1121 C VAL A 77 -1.129 -1.268 -8.038 1.00 0.00 C ATOM 1122 O VAL A 77 -0.374 -2.234 -8.142 1.00 0.00 O ATOM 1123 CB VAL A 77 0.112 0.856 -8.715 1.00 0.00 C ATOM 1124 CG1 VAL A 77 1.431 0.096 -8.557 1.00 0.00 C ATOM 1125 CG2 VAL A 77 0.229 1.939 -9.789 1.00 0.00 C ATOM 0 H VAL A 77 -2.255 1.560 -8.637 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.836 -0.523 -10.010 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.108 1.347 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.233 0.801 -8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.343 -0.620 -7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.658 -0.435 -9.481 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.055 2.607 -9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.414 1.473 -10.757 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.698 2.510 -9.832 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.059 -1.140 -7.103 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.258 -2.171 -6.099 1.00 0.00 C ATOM 1137 C ASP A 78 -2.144 -3.547 -6.758 1.00 0.00 C ATOM 1138 O ASP A 78 -1.669 -4.498 -6.139 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.646 -2.063 -5.466 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.782 -2.673 -6.290 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -4.995 -2.176 -7.417 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.412 -3.621 -5.774 1.00 0.00 O ATOM 0 H ASP A 78 -2.683 -0.338 -7.020 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.499 -2.041 -5.327 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.623 -2.550 -4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.868 -1.010 -5.292 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.590 -3.610 -8.004 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.544 -4.854 -8.753 1.00 0.00 C ATOM 1149 C GLY A 79 -1.181 -5.533 -8.607 1.00 0.00 C ATOM 1150 O GLY A 79 -1.075 -6.753 -8.722 1.00 0.00 O ATOM 0 H GLY A 79 -2.985 -2.820 -8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.328 -5.524 -8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.745 -4.656 -9.806 1.00 0.00 H new ATOM 1154 N MET A 80 -0.171 -4.713 -8.355 1.00 0.00 N ATOM 1155 CA MET A 80 1.181 -5.218 -8.191 1.00 0.00 C ATOM 1156 C MET A 80 1.226 -6.336 -7.147 1.00 0.00 C ATOM 1157 O MET A 80 0.228 -6.611 -6.483 1.00 0.00 O ATOM 1158 CB MET A 80 2.104 -4.078 -7.758 1.00 0.00 C ATOM 1159 CG MET A 80 1.888 -3.727 -6.285 1.00 0.00 C ATOM 1160 SD MET A 80 1.534 -1.985 -6.118 1.00 0.00 S ATOM 1161 CE MET A 80 2.167 -1.696 -4.474 1.00 0.00 C ATOM 0 H MET A 80 -0.262 -3.702 -8.260 1.00 0.00 H new ATOM 0 HA MET A 80 1.515 -5.624 -9.146 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.143 -4.366 -7.918 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.918 -3.200 -8.376 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.064 -4.314 -5.880 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.776 -3.983 -5.708 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.355 -1.372 -3.823 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.599 -2.617 -4.083 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.934 -0.922 -4.510 1.00 0.00 H new ATOM 1171 N LYS A 81 2.395 -6.951 -7.035 1.00 0.00 N ATOM 1172 CA LYS A 81 2.583 -8.032 -6.084 1.00 0.00 C ATOM 1173 C LYS A 81 3.917 -7.842 -5.359 1.00 0.00 C ATOM 1174 O LYS A 81 4.929 -7.533 -5.985 1.00 0.00 O ATOM 1175 CB LYS A 81 2.450 -9.388 -6.780 1.00 0.00 C ATOM 1176 CG LYS A 81 0.980 -9.748 -7.003 1.00 0.00 C ATOM 1177 CD LYS A 81 0.714 -10.082 -8.472 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.788 -10.171 -8.751 1.00 0.00 C ATOM 1179 NZ LYS A 81 -1.096 -11.376 -9.553 1.00 0.00 N ATOM 0 H LYS A 81 3.221 -6.721 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 81 1.801 -8.011 -5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.971 -9.362 -7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.929 -10.159 -6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.712 -10.600 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.347 -8.915 -6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.161 -9.319 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.191 -11.029 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.337 -10.203 -7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.119 -9.279 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.119 -11.421 -9.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.587 -11.330 -10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.799 -12.225 -9.032 1.00 0.00 H new ATOM 1193 N VAL A 82 3.874 -8.034 -4.049 1.00 0.00 N ATOM 1194 CA VAL A 82 5.067 -7.887 -3.232 1.00 0.00 C ATOM 1195 C VAL A 82 5.602 -9.272 -2.864 1.00 0.00 C ATOM 1196 O VAL A 82 4.960 -10.012 -2.120 1.00 0.00 O ATOM 1197 CB VAL A 82 4.760 -7.020 -2.009 1.00 0.00 C ATOM 1198 CG1 VAL A 82 5.964 -6.955 -1.067 1.00 0.00 C ATOM 1199 CG2 VAL A 82 4.315 -5.618 -2.428 1.00 0.00 C ATOM 0 H VAL A 82 3.032 -8.290 -3.533 1.00 0.00 H new ATOM 0 HA VAL A 82 5.851 -7.374 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 82 3.936 -7.485 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.719 -6.333 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.216 -7.960 -0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.816 -6.526 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.103 -5.023 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.108 -5.141 -3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.416 -5.689 -3.040 1.00 0.00 H new ATOM 1209 N LYS A 83 6.773 -9.581 -3.402 1.00 0.00 N ATOM 1210 CA LYS A 83 7.401 -10.865 -3.139 1.00 0.00 C ATOM 1211 C LYS A 83 6.467 -11.988 -3.593 1.00 0.00 C ATOM 1212 O LYS A 83 6.440 -13.059 -2.990 1.00 0.00 O ATOM 1213 CB LYS A 83 7.818 -10.967 -1.671 1.00 0.00 C ATOM 1214 CG LYS A 83 9.274 -10.536 -1.482 1.00 0.00 C ATOM 1215 CD LYS A 83 9.386 -9.014 -1.372 1.00 0.00 C ATOM 1216 CE LYS A 83 10.849 -8.569 -1.393 1.00 0.00 C ATOM 1217 NZ LYS A 83 11.363 -8.539 -2.780 1.00 0.00 N ATOM 0 H LYS A 83 7.303 -8.965 -4.018 1.00 0.00 H new ATOM 0 HA LYS A 83 8.321 -10.964 -3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.168 -10.341 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.691 -11.992 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.680 -11.000 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.873 -10.888 -2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.848 -8.546 -2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.913 -8.677 -0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.941 -7.580 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.451 -9.250 -0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.357 -8.235 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.294 -9.489 -3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.800 -7.872 -3.345 1.00 0.00 H new ATOM 1231 N GLY A 84 5.723 -11.704 -4.652 1.00 0.00 N ATOM 1232 CA GLY A 84 4.789 -12.676 -5.193 1.00 0.00 C ATOM 1233 C GLY A 84 3.444 -12.607 -4.468 1.00 0.00 C ATOM 1234 O GLY A 84 2.464 -13.205 -4.912 1.00 0.00 O ATOM 0 H GLY A 84 5.748 -10.814 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.642 -12.491 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.206 -13.678 -5.098 1.00 0.00 H new ATOM 1238 N ARG A 85 3.439 -11.873 -3.365 1.00 0.00 N ATOM 1239 CA ARG A 85 2.230 -11.719 -2.574 1.00 0.00 C ATOM 1240 C ARG A 85 1.325 -10.650 -3.192 1.00 0.00 C ATOM 1241 O ARG A 85 1.729 -9.497 -3.334 1.00 0.00 O ATOM 1242 CB ARG A 85 2.561 -11.326 -1.133 1.00 0.00 C ATOM 1243 CG ARG A 85 1.856 -12.251 -0.138 1.00 0.00 C ATOM 1244 CD ARG A 85 2.720 -13.473 0.181 1.00 0.00 C ATOM 1245 NE ARG A 85 1.926 -14.711 0.012 1.00 0.00 N ATOM 1246 CZ ARG A 85 2.378 -15.938 0.304 1.00 0.00 C ATOM 1247 NH1 ARG A 85 3.619 -16.100 0.781 1.00 0.00 N ATOM 1248 NH2 ARG A 85 1.588 -17.005 0.118 1.00 0.00 N ATOM 0 H ARG A 85 4.253 -11.378 -3.000 1.00 0.00 H new ATOM 0 HA ARG A 85 1.713 -12.679 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.639 -11.372 -0.978 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.257 -10.294 -0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.638 -11.705 0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.900 -12.574 -0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.589 -13.496 -0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.094 -13.408 1.203 1.00 0.00 H new ATOM 0 HE ARG A 85 0.976 -14.625 -0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.221 -15.289 0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.962 -17.035 1.003 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.643 -16.883 -0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.932 -17.939 0.340 1.00 0.00 H new ATOM 1262 N ALA A 86 0.119 -11.072 -3.542 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.846 -10.165 -4.140 1.00 0.00 C ATOM 1264 C ALA A 86 -1.301 -9.147 -3.093 1.00 0.00 C ATOM 1265 O ALA A 86 -1.856 -9.519 -2.060 1.00 0.00 O ATOM 1266 CB ALA A 86 -2.013 -10.970 -4.716 1.00 0.00 C ATOM 0 H ALA A 86 -0.212 -12.029 -3.423 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.393 -9.611 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.737 -10.290 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.641 -11.657 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.493 -11.537 -3.918 1.00 0.00 H new ATOM 1272 N VAL A 87 -1.049 -7.882 -3.395 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.425 -6.807 -2.493 1.00 0.00 C ATOM 1274 C VAL A 87 -2.647 -6.079 -3.055 1.00 0.00 C ATOM 1275 O VAL A 87 -2.916 -6.144 -4.254 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.232 -5.879 -2.258 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.965 -6.654 -1.703 1.00 0.00 C ATOM 1278 CG2 VAL A 87 0.144 -5.134 -3.540 1.00 0.00 C ATOM 0 H VAL A 87 -0.589 -7.577 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.705 -7.207 -1.519 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.525 -5.138 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.799 -5.971 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.691 -7.117 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.259 -7.427 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.995 -4.481 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.409 -5.854 -4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.703 -4.536 -3.875 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.356 -5.402 -2.163 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.543 -4.663 -2.556 1.00 0.00 C ATOM 1290 C LYS A 88 -4.560 -3.313 -1.835 1.00 0.00 C ATOM 1291 O LYS A 88 -4.113 -3.210 -0.693 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.800 -5.502 -2.319 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.929 -5.077 -3.260 1.00 0.00 C ATOM 1294 CD LYS A 88 -7.704 -6.293 -3.771 1.00 0.00 C ATOM 1295 CE LYS A 88 -8.426 -5.972 -5.081 1.00 0.00 C ATOM 1296 NZ LYS A 88 -9.382 -7.049 -5.424 1.00 0.00 N ATOM 0 H LYS A 88 -3.131 -5.350 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.524 -4.454 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.572 -6.557 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.124 -5.393 -1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.607 -4.402 -2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.515 -4.524 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.019 -7.127 -3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.428 -6.609 -3.020 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.955 -5.024 -4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.699 -5.854 -5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.863 -6.815 -6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.869 -7.947 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.086 -7.143 -4.665 1.00 0.00 H new ATOM 1310 N ILE A 89 -5.080 -2.313 -2.530 1.00 0.00 N ATOM 1311 CA ILE A 89 -5.161 -0.975 -1.971 1.00 0.00 C ATOM 1312 C ILE A 89 -6.574 -0.425 -2.177 1.00 0.00 C ATOM 1313 O ILE A 89 -6.969 -0.124 -3.302 1.00 0.00 O ATOM 1314 CB ILE A 89 -4.063 -0.083 -2.553 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.689 -0.739 -2.408 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -4.101 1.313 -1.928 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.668 -0.088 -3.344 1.00 0.00 C ATOM 0 H ILE A 89 -5.450 -2.403 -3.476 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.982 -1.000 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.251 0.037 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.348 -0.653 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.765 -1.803 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.310 1.926 -2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.068 1.775 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.952 1.234 -0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.700 -0.573 -3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.000 -0.197 -4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.576 0.971 -3.102 1.00 0.00 H new ATOM 1329 N SER A 90 -7.297 -0.310 -1.072 1.00 0.00 N ATOM 1330 CA SER A 90 -8.657 0.198 -1.117 1.00 0.00 C ATOM 1331 C SER A 90 -8.737 1.545 -0.396 1.00 0.00 C ATOM 1332 O SER A 90 -7.715 2.100 0.005 1.00 0.00 O ATOM 1333 CB SER A 90 -9.638 -0.797 -0.494 1.00 0.00 C ATOM 1334 OG SER A 90 -10.785 -1.001 -1.314 1.00 0.00 O ATOM 0 H SER A 90 -6.966 -0.560 -0.140 1.00 0.00 H new ATOM 0 HA SER A 90 -8.936 0.335 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.134 -1.750 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.952 -0.432 0.484 1.00 0.00 H new ATOM 0 HG SER A 90 -11.386 -1.644 -0.882 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.961 2.031 -0.252 1.00 0.00 N ATOM 1341 CA GLY A 91 -10.187 3.302 0.415 1.00 0.00 C ATOM 1342 C GLY A 91 -10.488 3.096 1.901 1.00 0.00 C ATOM 1343 O GLY A 91 -10.147 2.060 2.469 1.00 0.00 O ATOM 0 H GLY A 91 -10.806 1.568 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.308 3.937 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.019 3.823 -0.059 1.00 0.00 H new