USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 670 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 90 LYS NZ :NH3+ -169:sc= 0.355 (180deg=0) USER MOD Set 1.2: A 100 SER OG : rot 140:sc= -2.72! USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= -0.405 USER MOD Set 2.2: A 66 GLN : amide:sc= 0 X(o=-0.4,f=-0.4) USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= 0.0354 USER MOD Set 3.2: A 92 THR OG1 : rot 180:sc= -2.21 USER MOD Set 4.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 99 THR OG1 : rot -167:sc= -0.357 USER MOD Single : A 16 THR OG1 : rot -33:sc= 0.639 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 24 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.12) USER MOD Single : A 28 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.8) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -3.42! C(o=-3.4!,f=-7.2!) USER MOD Single : A 40 GLN : amide:sc= -0.0874 X(o=-0.087,f=-0.26) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 150:sc= -2.44! USER MOD Single : A 54 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.476) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.1) USER MOD Single : A 70 THR OG1 : rot 156:sc= 0.112 USER MOD Single : A 71 ASN : amide:sc= -0.202 K(o=-0.2,f=-4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0969 USER MOD Single : A 74 SER OG : rot -80:sc= 0.768 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -1:sc= -0.0527! USER MOD Single : A 101 SER OG : rot 100:sc= -0.83 USER MOD Single : A 103 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -6.513 -24.949 -1.154 1.00 0.00 N ATOM 199 CA THR A 16 -5.845 -24.143 -2.161 1.00 0.00 C ATOM 200 C THR A 16 -6.221 -22.669 -2.000 1.00 0.00 C ATOM 201 O THR A 16 -7.302 -22.350 -1.505 1.00 0.00 O ATOM 202 CB THR A 16 -6.201 -24.713 -3.536 1.00 0.00 C ATOM 203 OG1 THR A 16 -7.610 -24.913 -3.475 1.00 0.00 O ATOM 204 CG2 THR A 16 -5.635 -26.119 -3.751 1.00 0.00 C ATOM 0 HA THR A 16 -4.762 -24.185 -2.046 1.00 0.00 H new ATOM 0 HB THR A 16 -5.826 -24.047 -4.313 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.867 -25.154 -2.560 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.916 -26.477 -4.741 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.548 -26.090 -3.671 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.037 -26.793 -2.994 1.00 0.00 H new ATOM 212 N PRO A 17 -5.285 -21.785 -2.438 1.00 0.00 N ATOM 213 CA PRO A 17 -5.507 -20.352 -2.347 1.00 0.00 C ATOM 214 C PRO A 17 -6.499 -19.882 -3.413 1.00 0.00 C ATOM 215 O PRO A 17 -6.726 -20.575 -4.403 1.00 0.00 O ATOM 216 CB PRO A 17 -4.129 -19.730 -2.502 1.00 0.00 C ATOM 217 CG PRO A 17 -3.257 -20.801 -3.136 1.00 0.00 C ATOM 218 CD PRO A 17 -3.994 -22.126 -3.029 1.00 0.00 C ATOM 0 HA PRO A 17 -5.959 -20.055 -1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.171 -18.839 -3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.729 -19.422 -1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.055 -20.560 -4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.294 -20.858 -2.629 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.117 -22.591 -4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.448 -22.834 -2.406 1.00 0.00 H new ATOM 226 N PRO A 18 -7.079 -18.677 -3.167 1.00 0.00 N ATOM 227 CA PRO A 18 -8.041 -18.106 -4.094 1.00 0.00 C ATOM 228 C PRO A 18 -7.343 -17.556 -5.339 1.00 0.00 C ATOM 229 O PRO A 18 -7.982 -17.335 -6.367 1.00 0.00 O ATOM 230 CB PRO A 18 -8.767 -17.035 -3.297 1.00 0.00 C ATOM 231 CG PRO A 18 -7.877 -16.727 -2.105 1.00 0.00 C ATOM 232 CD PRO A 18 -6.834 -17.829 -2.004 1.00 0.00 C ATOM 0 HA PRO A 18 -8.746 -18.844 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.932 -16.143 -3.902 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.746 -17.386 -2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.396 -15.757 -2.228 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.468 -16.676 -1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.823 -17.421 -2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.939 -18.390 -1.075 1.00 0.00 H new ATOM 240 N SER A 19 -6.041 -17.349 -5.206 1.00 0.00 N ATOM 241 CA SER A 19 -5.250 -16.828 -6.307 1.00 0.00 C ATOM 242 C SER A 19 -5.841 -15.505 -6.796 1.00 0.00 C ATOM 243 O SER A 19 -5.557 -15.069 -7.911 1.00 0.00 O ATOM 244 CB SER A 19 -5.177 -17.835 -7.457 1.00 0.00 C ATOM 245 OG SER A 19 -3.907 -17.816 -8.104 1.00 0.00 O ATOM 0 H SER A 19 -5.514 -17.533 -4.352 1.00 0.00 H new ATOM 0 HA SER A 19 -4.236 -16.654 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.374 -18.837 -7.075 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.958 -17.612 -8.184 1.00 0.00 H new ATOM 0 HG SER A 19 -3.900 -18.473 -8.831 1.00 0.00 H new ATOM 251 N GLN A 20 -6.651 -14.902 -5.938 1.00 0.00 N ATOM 252 CA GLN A 20 -7.284 -13.637 -6.269 1.00 0.00 C ATOM 253 C GLN A 20 -6.603 -12.490 -5.519 1.00 0.00 C ATOM 254 O GLN A 20 -6.671 -12.419 -4.293 1.00 0.00 O ATOM 255 CB GLN A 20 -8.783 -13.678 -5.965 1.00 0.00 C ATOM 256 CG GLN A 20 -9.284 -12.311 -5.494 1.00 0.00 C ATOM 257 CD GLN A 20 -10.810 -12.296 -5.379 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.490 -13.264 -5.680 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.308 -11.148 -4.929 1.00 0.00 N ATOM 0 H GLN A 20 -6.883 -15.266 -5.014 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.168 -13.464 -7.339 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.330 -13.982 -6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.982 -14.426 -5.198 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.841 -12.070 -4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.961 -11.540 -6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.682 -10.377 -4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.316 -11.038 -4.817 1.00 0.00 H new ATOM 268 N PRO A 21 -5.945 -11.599 -6.307 1.00 0.00 N ATOM 269 CA PRO A 21 -5.252 -10.459 -5.730 1.00 0.00 C ATOM 270 C PRO A 21 -6.244 -9.384 -5.283 1.00 0.00 C ATOM 271 O PRO A 21 -7.365 -9.319 -5.786 1.00 0.00 O ATOM 272 CB PRO A 21 -4.308 -9.979 -6.821 1.00 0.00 C ATOM 273 CG PRO A 21 -4.835 -10.570 -8.118 1.00 0.00 C ATOM 274 CD PRO A 21 -5.843 -11.652 -7.763 1.00 0.00 C ATOM 0 HA PRO A 21 -4.698 -10.716 -4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.287 -8.890 -6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.287 -10.309 -6.628 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.304 -9.797 -8.727 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.018 -10.988 -8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.808 -11.465 -8.235 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.508 -12.632 -8.101 1.00 0.00 H new ATOM 282 N PRO A 22 -5.784 -8.544 -4.317 1.00 0.00 N ATOM 283 CA PRO A 22 -6.619 -7.474 -3.796 1.00 0.00 C ATOM 284 C PRO A 22 -6.722 -6.322 -4.797 1.00 0.00 C ATOM 285 O PRO A 22 -5.713 -5.872 -5.337 1.00 0.00 O ATOM 286 CB PRO A 22 -5.963 -7.066 -2.487 1.00 0.00 C ATOM 287 CG PRO A 22 -4.540 -7.596 -2.550 1.00 0.00 C ATOM 288 CD PRO A 22 -4.463 -8.590 -3.698 1.00 0.00 C ATOM 0 HA PRO A 22 -7.650 -7.788 -3.630 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.971 -5.983 -2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.498 -7.485 -1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.835 -6.779 -2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.270 -8.077 -1.610 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.683 -8.315 -4.408 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.229 -9.592 -3.339 1.00 0.00 H new ATOM 296 N GLY A 23 -7.951 -5.878 -5.015 1.00 0.00 N ATOM 297 CA GLY A 23 -8.199 -4.786 -5.942 1.00 0.00 C ATOM 298 C GLY A 23 -8.301 -3.451 -5.202 1.00 0.00 C ATOM 299 O GLY A 23 -8.089 -3.390 -3.992 1.00 0.00 O ATOM 0 H GLY A 23 -8.786 -6.254 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.395 -4.738 -6.677 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.122 -4.973 -6.491 1.00 0.00 H new ATOM 303 N ASN A 24 -8.625 -2.414 -5.960 1.00 0.00 N ATOM 304 CA ASN A 24 -8.758 -1.084 -5.392 1.00 0.00 C ATOM 305 C ASN A 24 -7.537 -0.782 -4.520 1.00 0.00 C ATOM 306 O ASN A 24 -7.646 -0.083 -3.514 1.00 0.00 O ATOM 307 CB ASN A 24 -10.005 -0.983 -4.510 1.00 0.00 C ATOM 308 CG ASN A 24 -10.636 0.407 -4.611 1.00 0.00 C ATOM 309 OD1 ASN A 24 -10.855 1.091 -3.624 1.00 0.00 O ATOM 310 ND2 ASN A 24 -10.915 0.786 -5.854 1.00 0.00 N ATOM 0 H ASN A 24 -8.799 -2.468 -6.964 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.839 -0.373 -6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.730 -1.739 -4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.740 -1.192 -3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.338 1.698 -6.026 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.706 0.165 -6.636 1.00 0.00 H new ATOM 317 N VAL A 25 -6.403 -1.326 -4.937 1.00 0.00 N ATOM 318 CA VAL A 25 -5.163 -1.124 -4.207 1.00 0.00 C ATOM 319 C VAL A 25 -4.723 0.334 -4.352 1.00 0.00 C ATOM 320 O VAL A 25 -4.024 0.684 -5.302 1.00 0.00 O ATOM 321 CB VAL A 25 -4.105 -2.119 -4.687 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.840 -2.030 -3.831 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.659 -3.545 -4.701 1.00 0.00 C ATOM 0 H VAL A 25 -6.317 -1.907 -5.771 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.310 -1.315 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.836 -1.855 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.104 -2.748 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.427 -1.023 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.086 -2.256 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.886 -4.232 -5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.970 -3.824 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.516 -3.596 -5.373 1.00 0.00 H new ATOM 333 N VAL A 26 -5.149 1.146 -3.395 1.00 0.00 N ATOM 334 CA VAL A 26 -4.807 2.558 -3.405 1.00 0.00 C ATOM 335 C VAL A 26 -3.795 2.841 -2.293 1.00 0.00 C ATOM 336 O VAL A 26 -3.661 2.055 -1.356 1.00 0.00 O ATOM 337 CB VAL A 26 -6.077 3.405 -3.287 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.059 3.080 -4.414 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.733 3.220 -1.917 1.00 0.00 C ATOM 0 H VAL A 26 -5.728 0.853 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.337 2.830 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.792 4.453 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.952 3.695 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.590 3.286 -5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.335 2.027 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.633 3.832 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.998 2.172 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.036 3.524 -1.136 1.00 0.00 H new ATOM 349 N TRP A 27 -3.109 3.965 -2.433 1.00 0.00 N ATOM 350 CA TRP A 27 -2.112 4.361 -1.452 1.00 0.00 C ATOM 351 C TRP A 27 -2.325 5.843 -1.134 1.00 0.00 C ATOM 352 O TRP A 27 -3.208 6.483 -1.703 1.00 0.00 O ATOM 353 CB TRP A 27 -0.699 4.054 -1.951 1.00 0.00 C ATOM 354 CG TRP A 27 -0.338 4.749 -3.266 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.680 4.389 -4.510 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.453 5.946 -3.416 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.169 5.263 -5.448 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.542 6.240 -4.762 1.00 0.00 C ATOM 359 CE3 TRP A 27 1.074 6.754 -2.447 1.00 0.00 C ATOM 360 CZ2 TRP A 27 1.243 7.344 -5.261 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.771 7.854 -2.962 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.869 8.164 -4.314 1.00 0.00 C ATOM 0 H TRP A 27 -3.223 4.615 -3.211 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.226 3.787 -0.532 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.018 4.352 -1.186 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.597 2.977 -2.081 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.280 3.524 -4.749 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.291 5.203 -6.459 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.018 6.543 -1.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.298 7.552 -6.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.267 8.507 -2.260 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.425 9.033 -4.632 1.00 0.00 H new ATOM 373 N ASN A 28 -1.501 6.344 -0.226 1.00 0.00 N ATOM 374 CA ASN A 28 -1.587 7.738 0.175 1.00 0.00 C ATOM 375 C ASN A 28 -0.339 8.113 0.976 1.00 0.00 C ATOM 376 O ASN A 28 0.374 7.238 1.465 1.00 0.00 O ATOM 377 CB ASN A 28 -2.810 7.981 1.062 1.00 0.00 C ATOM 378 CG ASN A 28 -4.054 8.263 0.218 1.00 0.00 C ATOM 379 OD1 ASN A 28 -4.943 7.440 0.081 1.00 0.00 O ATOM 380 ND2 ASN A 28 -4.066 9.471 -0.340 1.00 0.00 N ATOM 0 H ASN A 28 -0.770 5.809 0.244 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.670 8.344 -0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.985 7.110 1.693 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.619 8.823 1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.853 9.756 -0.923 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.288 10.112 -0.184 1.00 0.00 H new ATOM 387 N ALA A 29 -0.113 9.414 1.085 1.00 0.00 N ATOM 388 CA ALA A 29 1.037 9.915 1.819 1.00 0.00 C ATOM 389 C ALA A 29 0.613 11.119 2.661 1.00 0.00 C ATOM 390 O ALA A 29 0.135 12.118 2.127 1.00 0.00 O ATOM 391 CB ALA A 29 2.160 10.256 0.837 1.00 0.00 C ATOM 0 H ALA A 29 -0.707 10.136 0.677 1.00 0.00 H new ATOM 0 HA ALA A 29 1.419 9.155 2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.023 10.632 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.444 9.361 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.814 11.019 0.139 1.00 0.00 H new ATOM 397 N THR A 30 0.805 10.985 3.966 1.00 0.00 N ATOM 398 CA THR A 30 0.449 12.050 4.888 1.00 0.00 C ATOM 399 C THR A 30 1.527 12.208 5.962 1.00 0.00 C ATOM 400 O THR A 30 2.134 11.226 6.387 1.00 0.00 O ATOM 401 CB THR A 30 -0.936 11.739 5.458 1.00 0.00 C ATOM 402 OG1 THR A 30 -0.895 12.271 6.779 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.160 10.240 5.666 1.00 0.00 C ATOM 0 H THR A 30 1.202 10.155 4.406 1.00 0.00 H new ATOM 0 HA THR A 30 0.398 13.013 4.379 1.00 0.00 H new ATOM 0 HB THR A 30 -1.701 12.130 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.755 12.114 7.222 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.158 10.074 6.072 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.066 9.722 4.711 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.416 9.854 6.363 1.00 0.00 H new ATOM 411 N ASP A 31 1.732 13.452 6.370 1.00 0.00 N ATOM 412 CA ASP A 31 2.726 13.751 7.387 1.00 0.00 C ATOM 413 C ASP A 31 4.057 13.102 7.000 1.00 0.00 C ATOM 414 O ASP A 31 4.867 13.708 6.301 1.00 0.00 O ATOM 415 CB ASP A 31 2.307 13.193 8.749 1.00 0.00 C ATOM 416 CG ASP A 31 1.306 14.056 9.520 1.00 0.00 C ATOM 417 OD1 ASP A 31 1.124 15.221 9.106 1.00 0.00 O ATOM 418 OD2 ASP A 31 0.745 13.530 10.506 1.00 0.00 O ATOM 0 H ASP A 31 1.227 14.264 6.015 1.00 0.00 H new ATOM 0 HA ASP A 31 2.822 14.835 7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.874 12.204 8.602 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.199 13.062 9.362 1.00 0.00 H new ATOM 423 N THR A 32 4.240 11.877 7.471 1.00 0.00 N ATOM 424 CA THR A 32 5.458 11.139 7.183 1.00 0.00 C ATOM 425 C THR A 32 5.188 9.634 7.207 1.00 0.00 C ATOM 426 O THR A 32 5.955 8.871 7.791 1.00 0.00 O ATOM 427 CB THR A 32 6.527 11.580 8.186 1.00 0.00 C ATOM 428 OG1 THR A 32 5.949 11.296 9.457 1.00 0.00 O ATOM 429 CG2 THR A 32 6.727 13.097 8.199 1.00 0.00 C ATOM 0 H THR A 32 3.565 11.377 8.050 1.00 0.00 H new ATOM 0 HA THR A 32 5.823 11.356 6.179 1.00 0.00 H new ATOM 0 HB THR A 32 7.472 11.091 7.948 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.576 11.550 10.166 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.496 13.356 8.927 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.037 13.432 7.209 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.791 13.585 8.470 1.00 0.00 H new ATOM 437 N LYS A 33 4.094 9.251 6.564 1.00 0.00 N ATOM 438 CA LYS A 33 3.713 7.850 6.504 1.00 0.00 C ATOM 439 C LYS A 33 3.044 7.566 5.158 1.00 0.00 C ATOM 440 O LYS A 33 2.869 8.471 4.343 1.00 0.00 O ATOM 441 CB LYS A 33 2.850 7.478 7.710 1.00 0.00 C ATOM 442 CG LYS A 33 3.450 6.292 8.469 1.00 0.00 C ATOM 443 CD LYS A 33 2.505 5.812 9.573 1.00 0.00 C ATOM 444 CE LYS A 33 2.656 6.666 10.833 1.00 0.00 C ATOM 445 NZ LYS A 33 3.275 5.878 11.922 1.00 0.00 N ATOM 0 H LYS A 33 3.460 9.887 6.080 1.00 0.00 H new ATOM 0 HA LYS A 33 4.595 7.212 6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.763 8.335 8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.842 7.229 7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.649 5.475 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.407 6.581 8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.475 5.857 9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.716 4.769 9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.269 7.541 10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.680 7.032 11.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.370 6.473 12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.675 5.057 12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.215 5.550 11.622 1.00 0.00 H new ATOM 459 N VAL A 34 2.687 6.305 4.965 1.00 0.00 N ATOM 460 CA VAL A 34 2.041 5.890 3.732 1.00 0.00 C ATOM 461 C VAL A 34 0.832 5.013 4.064 1.00 0.00 C ATOM 462 O VAL A 34 0.985 3.844 4.412 1.00 0.00 O ATOM 463 CB VAL A 34 3.052 5.192 2.820 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.347 4.472 1.668 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.091 6.183 2.293 1.00 0.00 C ATOM 0 H VAL A 34 2.833 5.557 5.643 1.00 0.00 H new ATOM 0 HA VAL A 34 1.673 6.757 3.184 1.00 0.00 H new ATOM 0 HB VAL A 34 3.575 4.442 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.089 3.985 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.665 3.723 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.785 5.195 1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.797 5.661 1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.591 6.967 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.627 6.629 3.131 1.00 0.00 H new ATOM 475 N LEU A 35 -0.344 5.613 3.946 1.00 0.00 N ATOM 476 CA LEU A 35 -1.579 4.902 4.229 1.00 0.00 C ATOM 477 C LEU A 35 -1.986 4.085 3.001 1.00 0.00 C ATOM 478 O LEU A 35 -2.406 4.646 1.990 1.00 0.00 O ATOM 479 CB LEU A 35 -2.659 5.874 4.707 1.00 0.00 C ATOM 480 CG LEU A 35 -2.288 6.756 5.901 1.00 0.00 C ATOM 481 CD1 LEU A 35 -3.476 7.613 6.340 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.730 5.916 7.051 1.00 0.00 C ATOM 0 H LEU A 35 -0.467 6.584 3.658 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.433 4.196 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.932 6.521 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.547 5.299 4.968 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.498 7.439 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.185 8.230 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.786 8.254 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.305 6.966 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.474 6.567 7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.480 5.193 7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.837 5.388 6.716 1.00 0.00 H new ATOM 494 N LEU A 36 -1.847 2.774 3.130 1.00 0.00 N ATOM 495 CA LEU A 36 -2.195 1.874 2.043 1.00 0.00 C ATOM 496 C LEU A 36 -3.610 1.336 2.265 1.00 0.00 C ATOM 497 O LEU A 36 -4.013 1.093 3.402 1.00 0.00 O ATOM 498 CB LEU A 36 -1.136 0.780 1.894 1.00 0.00 C ATOM 499 CG LEU A 36 0.278 1.256 1.556 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.224 0.070 1.362 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.268 2.186 0.341 1.00 0.00 C ATOM 0 H LEU A 36 -1.498 2.313 3.970 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.203 2.408 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.094 0.213 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.462 0.091 1.115 1.00 0.00 H new ATOM 0 HG LEU A 36 0.655 1.833 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.222 0.436 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.263 -0.518 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.861 -0.555 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.286 2.510 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.137 1.655 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.352 3.057 0.554 1.00 0.00 H new ATOM 513 N ASN A 37 -4.324 1.165 1.163 1.00 0.00 N ATOM 514 CA ASN A 37 -5.684 0.659 1.223 1.00 0.00 C ATOM 515 C ASN A 37 -5.964 -0.191 -0.018 1.00 0.00 C ATOM 516 O ASN A 37 -5.547 0.159 -1.121 1.00 0.00 O ATOM 517 CB ASN A 37 -6.697 1.805 1.249 1.00 0.00 C ATOM 518 CG ASN A 37 -6.207 2.951 2.137 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.098 3.442 2.005 1.00 0.00 O ATOM 520 ND2 ASN A 37 -7.092 3.347 3.046 1.00 0.00 N ATOM 0 H ASN A 37 -3.986 1.368 0.222 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.783 0.068 2.134 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.863 2.171 0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.656 1.439 1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.860 4.106 3.687 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.003 2.892 3.102 1.00 0.00 H new ATOM 527 N TRP A 38 -6.667 -1.292 0.204 1.00 0.00 N ATOM 528 CA TRP A 38 -7.007 -2.194 -0.883 1.00 0.00 C ATOM 529 C TRP A 38 -8.252 -2.983 -0.471 1.00 0.00 C ATOM 530 O TRP A 38 -8.515 -3.157 0.718 1.00 0.00 O ATOM 531 CB TRP A 38 -5.822 -3.093 -1.240 1.00 0.00 C ATOM 532 CG TRP A 38 -5.327 -3.962 -0.081 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.735 -5.192 0.260 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.310 -3.613 0.881 1.00 0.00 C ATOM 535 NE1 TRP A 38 -5.058 -5.660 1.367 1.00 0.00 N ATOM 536 CE2 TRP A 38 -4.163 -4.670 1.757 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.538 -2.445 1.007 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.253 -4.663 2.820 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.633 -2.454 2.075 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.474 -3.509 2.965 1.00 0.00 C ATOM 0 H TRP A 38 -7.010 -1.580 1.120 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.233 -1.635 -1.791 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.107 -3.740 -2.069 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.999 -2.470 -1.590 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.498 -5.747 -0.266 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.190 -6.566 1.817 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.635 -1.607 0.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.157 -5.503 3.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.015 -1.580 2.217 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.752 -3.439 3.765 1.00 0.00 H new ATOM 551 N GLU A 39 -8.985 -3.438 -1.476 1.00 0.00 N ATOM 552 CA GLU A 39 -10.196 -4.203 -1.234 1.00 0.00 C ATOM 553 C GLU A 39 -9.858 -5.523 -0.537 1.00 0.00 C ATOM 554 O GLU A 39 -8.691 -5.811 -0.277 1.00 0.00 O ATOM 555 CB GLU A 39 -10.958 -4.451 -2.537 1.00 0.00 C ATOM 556 CG GLU A 39 -12.307 -3.728 -2.528 1.00 0.00 C ATOM 557 CD GLU A 39 -13.449 -4.700 -2.227 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.480 -5.761 -2.889 1.00 0.00 O ATOM 559 OE2 GLU A 39 -14.264 -4.362 -1.342 1.00 0.00 O ATOM 0 H GLU A 39 -8.763 -3.291 -2.461 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.844 -3.623 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.362 -4.107 -3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.115 -5.521 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.293 -2.935 -1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.475 -3.252 -3.494 1.00 0.00 H new ATOM 566 N GLN A 40 -10.901 -6.289 -0.254 1.00 0.00 N ATOM 567 CA GLN A 40 -10.731 -7.571 0.408 1.00 0.00 C ATOM 568 C GLN A 40 -10.762 -8.707 -0.617 1.00 0.00 C ATOM 569 O GLN A 40 -11.223 -8.519 -1.742 1.00 0.00 O ATOM 570 CB GLN A 40 -11.796 -7.778 1.487 1.00 0.00 C ATOM 571 CG GLN A 40 -13.198 -7.534 0.927 1.00 0.00 C ATOM 572 CD GLN A 40 -14.269 -8.092 1.866 1.00 0.00 C ATOM 573 OE1 GLN A 40 -14.103 -8.151 3.074 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.374 -8.498 1.247 1.00 0.00 N ATOM 0 H GLN A 40 -11.868 -6.046 -0.471 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.758 -7.577 0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.729 -8.793 1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.611 -7.101 2.321 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.355 -6.465 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.289 -8.003 -0.053 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.448 -8.421 0.233 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.147 -8.887 1.787 1.00 0.00 H new ATOM 583 N VAL A 41 -10.265 -9.859 -0.192 1.00 0.00 N ATOM 584 CA VAL A 41 -10.230 -11.024 -1.059 1.00 0.00 C ATOM 585 C VAL A 41 -10.945 -12.189 -0.371 1.00 0.00 C ATOM 586 O VAL A 41 -10.466 -12.707 0.637 1.00 0.00 O ATOM 587 CB VAL A 41 -8.784 -11.351 -1.439 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.637 -12.825 -1.821 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.295 -10.441 -2.568 1.00 0.00 C ATOM 0 H VAL A 41 -9.883 -10.010 0.742 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.759 -10.822 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.159 -11.168 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.600 -13.030 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.926 -13.450 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.280 -13.046 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.265 -10.694 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.927 -10.579 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.345 -9.401 -2.245 1.00 0.00 H new ATOM 599 N LYS A 42 -12.079 -12.566 -0.942 1.00 0.00 N ATOM 600 CA LYS A 42 -12.864 -13.660 -0.396 1.00 0.00 C ATOM 601 C LYS A 42 -12.748 -14.876 -1.318 1.00 0.00 C ATOM 602 O LYS A 42 -13.133 -14.813 -2.485 1.00 0.00 O ATOM 603 CB LYS A 42 -14.306 -13.212 -0.148 1.00 0.00 C ATOM 604 CG LYS A 42 -14.446 -12.554 1.227 1.00 0.00 C ATOM 605 CD LYS A 42 -15.892 -12.123 1.483 1.00 0.00 C ATOM 606 CE LYS A 42 -16.440 -12.771 2.756 1.00 0.00 C ATOM 607 NZ LYS A 42 -17.810 -12.288 3.035 1.00 0.00 N ATOM 0 H LYS A 42 -12.473 -12.133 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.475 -13.959 0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.611 -12.510 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.974 -14.071 -0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.128 -13.251 2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.788 -11.687 1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.941 -11.038 1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.514 -12.401 0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.446 -13.855 2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.788 -12.540 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.167 -12.738 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.795 -11.256 3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.433 -12.530 2.238 1.00 0.00 H new ATOM 621 N ALA A 43 -12.216 -15.953 -0.760 1.00 0.00 N ATOM 622 CA ALA A 43 -12.045 -17.181 -1.517 1.00 0.00 C ATOM 623 C ALA A 43 -13.413 -17.819 -1.763 1.00 0.00 C ATOM 624 O ALA A 43 -14.284 -17.784 -0.894 1.00 0.00 O ATOM 625 CB ALA A 43 -11.092 -18.115 -0.768 1.00 0.00 C ATOM 0 H ALA A 43 -11.898 -16.001 0.208 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.599 -16.972 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.964 -19.036 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.125 -17.627 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.507 -18.348 0.213 1.00 0.00 H new ATOM 677 N GLU A 47 -12.158 -23.130 -1.590 1.00 0.00 N ATOM 678 CA GLU A 47 -10.835 -22.529 -1.598 1.00 0.00 C ATOM 679 C GLU A 47 -10.458 -22.058 -0.192 1.00 0.00 C ATOM 680 O GLU A 47 -11.280 -22.100 0.722 1.00 0.00 O ATOM 681 CB GLU A 47 -10.763 -21.374 -2.600 1.00 0.00 C ATOM 682 CG GLU A 47 -10.534 -21.895 -4.020 1.00 0.00 C ATOM 683 CD GLU A 47 -11.735 -22.709 -4.506 1.00 0.00 C ATOM 684 OE1 GLU A 47 -11.900 -23.838 -3.994 1.00 0.00 O ATOM 685 OE2 GLU A 47 -12.462 -22.184 -5.377 1.00 0.00 O ATOM 0 HA GLU A 47 -10.116 -23.285 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.688 -20.799 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.955 -20.697 -2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.361 -21.057 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.637 -22.514 -4.044 1.00 0.00 H new ATOM 692 N SER A 48 -9.214 -21.621 -0.062 1.00 0.00 N ATOM 693 CA SER A 48 -8.718 -21.144 1.217 1.00 0.00 C ATOM 694 C SER A 48 -8.948 -19.636 1.338 1.00 0.00 C ATOM 695 O SER A 48 -8.441 -18.860 0.529 1.00 0.00 O ATOM 696 CB SER A 48 -7.233 -21.470 1.388 1.00 0.00 C ATOM 697 OG SER A 48 -7.031 -22.765 1.947 1.00 0.00 O ATOM 0 H SER A 48 -8.535 -21.587 -0.822 1.00 0.00 H new ATOM 0 HA SER A 48 -9.267 -21.653 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.735 -21.411 0.420 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.769 -20.722 2.031 1.00 0.00 H new ATOM 0 HG SER A 48 -6.070 -22.936 2.038 1.00 0.00 H new ATOM 703 N GLU A 49 -9.713 -19.266 2.354 1.00 0.00 N ATOM 704 CA GLU A 49 -10.016 -17.865 2.591 1.00 0.00 C ATOM 705 C GLU A 49 -8.744 -17.102 2.965 1.00 0.00 C ATOM 706 O GLU A 49 -7.726 -17.709 3.295 1.00 0.00 O ATOM 707 CB GLU A 49 -11.086 -17.711 3.675 1.00 0.00 C ATOM 708 CG GLU A 49 -10.477 -17.857 5.071 1.00 0.00 C ATOM 709 CD GLU A 49 -11.491 -18.451 6.051 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.331 -17.667 6.544 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.403 -19.676 6.286 1.00 0.00 O ATOM 0 H GLU A 49 -10.132 -19.912 3.023 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.414 -17.439 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.564 -16.736 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.863 -18.462 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.595 -18.496 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.145 -16.883 5.431 1.00 0.00 H new ATOM 718 N VAL A 50 -8.843 -15.782 2.902 1.00 0.00 N ATOM 719 CA VAL A 50 -7.712 -14.930 3.230 1.00 0.00 C ATOM 720 C VAL A 50 -7.706 -14.655 4.735 1.00 0.00 C ATOM 721 O VAL A 50 -8.654 -14.079 5.268 1.00 0.00 O ATOM 722 CB VAL A 50 -7.758 -13.653 2.388 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.694 -12.655 2.849 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.604 -13.972 0.900 1.00 0.00 C ATOM 0 H VAL A 50 -9.689 -15.282 2.629 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.774 -15.429 2.988 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.735 -13.191 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.748 -11.756 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.869 -12.392 3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.706 -13.104 2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.640 -13.047 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.648 -14.468 0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.414 -14.629 0.583 1.00 0.00 H new ATOM 734 N THR A 51 -6.628 -15.079 5.377 1.00 0.00 N ATOM 735 CA THR A 51 -6.486 -14.885 6.810 1.00 0.00 C ATOM 736 C THR A 51 -5.740 -13.582 7.101 1.00 0.00 C ATOM 737 O THR A 51 -5.718 -13.116 8.239 1.00 0.00 O ATOM 738 CB THR A 51 -5.797 -16.123 7.389 1.00 0.00 C ATOM 739 OG1 THR A 51 -4.584 -16.223 6.647 1.00 0.00 O ATOM 740 CG2 THR A 51 -6.544 -17.417 7.060 1.00 0.00 C ATOM 0 H THR A 51 -5.844 -15.556 4.931 1.00 0.00 H new ATOM 0 HA THR A 51 -7.458 -14.780 7.293 1.00 0.00 H new ATOM 0 HB THR A 51 -5.712 -16.019 8.471 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.073 -16.999 6.958 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.013 -18.264 7.494 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.552 -17.370 7.473 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.600 -17.540 5.978 1.00 0.00 H new ATOM 748 N GLY A 52 -5.146 -13.031 6.053 1.00 0.00 N ATOM 749 CA GLY A 52 -4.400 -11.791 6.181 1.00 0.00 C ATOM 750 C GLY A 52 -3.890 -11.314 4.819 1.00 0.00 C ATOM 751 O GLY A 52 -4.458 -11.659 3.784 1.00 0.00 O ATOM 0 H GLY A 52 -5.166 -13.421 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.036 -11.024 6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.558 -11.937 6.858 1.00 0.00 H new ATOM 755 N TYR A 53 -2.824 -10.529 4.865 1.00 0.00 N ATOM 756 CA TYR A 53 -2.231 -10.002 3.648 1.00 0.00 C ATOM 757 C TYR A 53 -0.759 -9.642 3.866 1.00 0.00 C ATOM 758 O TYR A 53 -0.325 -9.451 5.001 1.00 0.00 O ATOM 759 CB TYR A 53 -3.010 -8.728 3.316 1.00 0.00 C ATOM 760 CG TYR A 53 -4.389 -8.984 2.703 1.00 0.00 C ATOM 761 CD1 TYR A 53 -5.487 -9.152 3.521 1.00 0.00 C ATOM 762 CD2 TYR A 53 -4.534 -9.047 1.332 1.00 0.00 C ATOM 763 CE1 TYR A 53 -6.785 -9.394 2.945 1.00 0.00 C ATOM 764 CE2 TYR A 53 -5.831 -9.288 0.756 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.892 -9.449 1.590 1.00 0.00 C ATOM 766 OH TYR A 53 -8.118 -9.677 1.046 1.00 0.00 O ATOM 0 H TYR A 53 -2.356 -10.245 5.726 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.277 -10.741 2.848 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.132 -8.141 4.226 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.422 -8.125 2.624 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.373 -9.102 4.594 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.675 -8.916 0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.653 -9.529 3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.958 -9.340 -0.315 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.173 -9.241 0.170 1.00 0.00 H new ATOM 776 N LYS A 54 -0.033 -9.562 2.761 1.00 0.00 N ATOM 777 CA LYS A 54 1.380 -9.229 2.817 1.00 0.00 C ATOM 778 C LYS A 54 1.643 -7.991 1.958 1.00 0.00 C ATOM 779 O LYS A 54 1.261 -7.950 0.789 1.00 0.00 O ATOM 780 CB LYS A 54 2.232 -10.439 2.428 1.00 0.00 C ATOM 781 CG LYS A 54 2.316 -11.444 3.579 1.00 0.00 C ATOM 782 CD LYS A 54 3.361 -12.523 3.290 1.00 0.00 C ATOM 783 CE LYS A 54 3.614 -13.387 4.527 1.00 0.00 C ATOM 784 NZ LYS A 54 4.993 -13.924 4.511 1.00 0.00 N ATOM 0 H LYS A 54 -0.397 -9.722 1.822 1.00 0.00 H new ATOM 0 HA LYS A 54 1.671 -8.978 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.804 -10.922 1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.234 -10.110 2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.571 -10.924 4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.342 -11.908 3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.022 -13.151 2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.293 -12.056 2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.458 -12.795 5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.898 -14.208 4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.021 -14.826 5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.293 -14.080 3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.636 -13.244 4.965 1.00 0.00 H new ATOM 798 N VAL A 55 2.293 -7.012 2.570 1.00 0.00 N ATOM 799 CA VAL A 55 2.611 -5.776 1.875 1.00 0.00 C ATOM 800 C VAL A 55 4.068 -5.817 1.410 1.00 0.00 C ATOM 801 O VAL A 55 4.985 -5.658 2.215 1.00 0.00 O ATOM 802 CB VAL A 55 2.304 -4.577 2.774 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.491 -3.261 2.016 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.894 -4.677 3.360 1.00 0.00 C ATOM 0 H VAL A 55 2.608 -7.050 3.539 1.00 0.00 H new ATOM 0 HA VAL A 55 1.990 -5.667 0.986 1.00 0.00 H new ATOM 0 HB VAL A 55 3.012 -4.590 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.266 -2.425 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.522 -3.183 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.818 -3.236 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.702 -3.812 3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.164 -4.702 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.810 -5.588 3.953 1.00 0.00 H new ATOM 814 N PHE A 56 4.236 -6.033 0.114 1.00 0.00 N ATOM 815 CA PHE A 56 5.566 -6.097 -0.468 1.00 0.00 C ATOM 816 C PHE A 56 6.014 -4.721 -0.966 1.00 0.00 C ATOM 817 O PHE A 56 5.601 -4.281 -2.038 1.00 0.00 O ATOM 818 CB PHE A 56 5.488 -7.057 -1.657 1.00 0.00 C ATOM 819 CG PHE A 56 5.508 -8.536 -1.265 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.360 -9.150 -0.873 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.673 -9.235 -1.309 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.378 -10.523 -0.510 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.691 -10.608 -0.945 1.00 0.00 C ATOM 824 CZ PHE A 56 5.543 -11.223 -0.553 1.00 0.00 C ATOM 0 H PHE A 56 3.473 -6.166 -0.550 1.00 0.00 H new ATOM 0 HA PHE A 56 6.284 -6.434 0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.575 -6.852 -2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.324 -6.858 -2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.435 -8.594 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.585 -8.747 -1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.466 -11.011 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.616 -11.164 -0.980 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.557 -12.267 -0.276 1.00 0.00 H new ATOM 834 N TYR A 57 6.852 -4.081 -0.164 1.00 0.00 N ATOM 835 CA TYR A 57 7.361 -2.765 -0.510 1.00 0.00 C ATOM 836 C TYR A 57 8.842 -2.830 -0.887 1.00 0.00 C ATOM 837 O TYR A 57 9.630 -3.489 -0.209 1.00 0.00 O ATOM 838 CB TYR A 57 7.204 -1.908 0.747 1.00 0.00 C ATOM 839 CG TYR A 57 7.711 -2.580 2.025 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.874 -3.403 2.751 1.00 0.00 C ATOM 841 CD2 TYR A 57 9.005 -2.363 2.452 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.351 -4.035 3.953 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.482 -2.995 3.654 1.00 0.00 C ATOM 844 CZ TYR A 57 8.632 -3.800 4.346 1.00 0.00 C ATOM 845 OH TYR A 57 9.083 -4.397 5.482 1.00 0.00 O ATOM 0 H TYR A 57 7.191 -4.449 0.725 1.00 0.00 H new ATOM 0 HA TYR A 57 6.820 -2.358 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.741 -0.970 0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.151 -1.657 0.874 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.861 -3.573 2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.660 -1.719 1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.706 -4.681 4.530 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.493 -2.833 3.999 1.00 0.00 H new ATOM 0 HH TYR A 57 10.015 -4.139 5.639 1.00 0.00 H new ATOM 855 N ARG A 58 9.177 -2.139 -1.966 1.00 0.00 N ATOM 856 CA ARG A 58 10.550 -2.110 -2.441 1.00 0.00 C ATOM 857 C ARG A 58 10.777 -0.891 -3.337 1.00 0.00 C ATOM 858 O ARG A 58 9.945 -0.577 -4.187 1.00 0.00 O ATOM 859 CB ARG A 58 10.888 -3.380 -3.225 1.00 0.00 C ATOM 860 CG ARG A 58 9.753 -3.754 -4.179 1.00 0.00 C ATOM 861 CD ARG A 58 10.286 -4.514 -5.395 1.00 0.00 C ATOM 862 NE ARG A 58 10.738 -3.559 -6.431 1.00 0.00 N ATOM 863 CZ ARG A 58 11.055 -3.906 -7.686 1.00 0.00 C ATOM 864 NH1 ARG A 58 10.972 -5.187 -8.068 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.455 -2.971 -8.559 1.00 0.00 N ATOM 0 H ARG A 58 8.521 -1.594 -2.526 1.00 0.00 H new ATOM 0 HA ARG A 58 11.201 -2.050 -1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.808 -3.229 -3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.071 -4.201 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.020 -4.368 -3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.237 -2.852 -4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.113 -5.159 -5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.508 -5.161 -5.800 1.00 0.00 H new ATOM 0 HE ARG A 58 10.813 -2.575 -6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.667 -5.899 -7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.213 -5.451 -9.023 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.518 -1.995 -8.268 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.696 -3.235 -9.514 1.00 0.00 H new ATOM 879 N THR A 59 11.907 -0.236 -3.115 1.00 0.00 N ATOM 880 CA THR A 59 12.254 0.942 -3.892 1.00 0.00 C ATOM 881 C THR A 59 12.279 0.608 -5.385 1.00 0.00 C ATOM 882 O THR A 59 12.205 -0.559 -5.765 1.00 0.00 O ATOM 883 CB THR A 59 13.587 1.479 -3.367 1.00 0.00 C ATOM 884 OG1 THR A 59 14.300 0.311 -2.972 1.00 0.00 O ATOM 885 CG2 THR A 59 13.427 2.275 -2.070 1.00 0.00 C ATOM 0 H THR A 59 12.594 -0.499 -2.408 1.00 0.00 H new ATOM 0 HA THR A 59 11.504 1.725 -3.779 1.00 0.00 H new ATOM 0 HB THR A 59 14.048 2.111 -4.126 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.178 0.567 -2.620 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.402 2.633 -1.740 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.768 3.125 -2.244 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.997 1.634 -1.300 1.00 0.00 H new ATOM 893 N SER A 60 12.383 1.655 -6.191 1.00 0.00 N ATOM 894 CA SER A 60 12.419 1.487 -7.634 1.00 0.00 C ATOM 895 C SER A 60 13.598 0.596 -8.028 1.00 0.00 C ATOM 896 O SER A 60 13.641 0.073 -9.141 1.00 0.00 O ATOM 897 CB SER A 60 12.515 2.840 -8.343 1.00 0.00 C ATOM 898 OG SER A 60 13.549 2.857 -9.323 1.00 0.00 O ATOM 0 H SER A 60 12.443 2.622 -5.872 1.00 0.00 H new ATOM 0 HA SER A 60 11.491 1.008 -7.946 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.561 3.069 -8.818 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.700 3.623 -7.607 1.00 0.00 H new ATOM 0 HG SER A 60 13.577 3.737 -9.754 1.00 0.00 H new ATOM 960 N VAL A 65 12.615 -7.395 -2.078 1.00 0.00 N ATOM 961 CA VAL A 65 11.475 -6.721 -1.481 1.00 0.00 C ATOM 962 C VAL A 65 11.206 -7.312 -0.096 1.00 0.00 C ATOM 963 O VAL A 65 11.488 -8.484 0.148 1.00 0.00 O ATOM 964 CB VAL A 65 10.266 -6.811 -2.415 1.00 0.00 C ATOM 965 CG1 VAL A 65 9.859 -8.268 -2.645 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.093 -5.992 -1.874 1.00 0.00 C ATOM 0 HA VAL A 65 11.686 -5.660 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 65 10.553 -6.388 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.998 -8.304 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.690 -8.811 -3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.599 -8.728 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.247 -6.073 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.806 -6.372 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.389 -4.947 -1.786 1.00 0.00 H new ATOM 976 N GLN A 66 10.663 -6.473 0.775 1.00 0.00 N ATOM 977 CA GLN A 66 10.352 -6.898 2.129 1.00 0.00 C ATOM 978 C GLN A 66 8.863 -7.225 2.254 1.00 0.00 C ATOM 979 O GLN A 66 8.077 -6.906 1.363 1.00 0.00 O ATOM 980 CB GLN A 66 10.768 -5.833 3.146 1.00 0.00 C ATOM 981 CG GLN A 66 12.204 -6.060 3.622 1.00 0.00 C ATOM 982 CD GLN A 66 12.798 -4.776 4.203 1.00 0.00 C ATOM 983 OE1 GLN A 66 12.542 -4.400 5.335 1.00 0.00 O ATOM 984 NE2 GLN A 66 13.604 -4.126 3.368 1.00 0.00 N ATOM 0 H GLN A 66 10.431 -5.501 0.569 1.00 0.00 H new ATOM 0 HA GLN A 66 10.921 -7.802 2.346 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.682 -4.843 2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.090 -5.856 3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.221 -6.847 4.376 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.817 -6.404 2.789 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.776 -4.496 2.433 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.050 -3.257 3.663 1.00 0.00 H new ATOM 993 N VAL A 67 8.520 -7.856 3.368 1.00 0.00 N ATOM 994 CA VAL A 67 7.139 -8.229 3.621 1.00 0.00 C ATOM 995 C VAL A 67 6.685 -7.619 4.949 1.00 0.00 C ATOM 996 O VAL A 67 7.489 -7.450 5.865 1.00 0.00 O ATOM 997 CB VAL A 67 6.992 -9.752 3.582 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.622 -10.185 4.107 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.233 -10.289 2.169 1.00 0.00 C ATOM 0 H VAL A 67 9.175 -8.118 4.105 1.00 0.00 H new ATOM 0 HA VAL A 67 6.488 -7.833 2.842 1.00 0.00 H new ATOM 0 HB VAL A 67 7.751 -10.179 4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.544 -11.272 4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.505 -9.849 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.840 -9.743 3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.123 -11.373 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.507 -9.850 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.241 -10.027 1.847 1.00 0.00 H new ATOM 1009 N LEU A 68 5.400 -7.306 5.011 1.00 0.00 N ATOM 1010 CA LEU A 68 4.830 -6.718 6.212 1.00 0.00 C ATOM 1011 C LEU A 68 3.504 -7.411 6.534 1.00 0.00 C ATOM 1012 O LEU A 68 2.635 -7.526 5.672 1.00 0.00 O ATOM 1013 CB LEU A 68 4.710 -5.201 6.061 1.00 0.00 C ATOM 1014 CG LEU A 68 3.526 -4.547 6.776 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.900 -3.159 7.300 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.294 -4.504 5.870 1.00 0.00 C ATOM 0 H LEU A 68 4.737 -7.448 4.249 1.00 0.00 H new ATOM 0 HA LEU A 68 5.490 -6.879 7.065 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.629 -4.745 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.642 -4.966 4.999 1.00 0.00 H new ATOM 0 HG LEU A 68 3.269 -5.159 7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.041 -2.717 7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.728 -3.247 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.199 -2.524 6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.467 -4.034 6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.522 -3.928 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.014 -5.519 5.588 1.00 0.00 H new ATOM 1028 N ASN A 69 3.392 -7.854 7.777 1.00 0.00 N ATOM 1029 CA ASN A 69 2.187 -8.533 8.224 1.00 0.00 C ATOM 1030 C ASN A 69 1.092 -7.497 8.488 1.00 0.00 C ATOM 1031 O ASN A 69 1.325 -6.502 9.173 1.00 0.00 O ATOM 1032 CB ASN A 69 2.436 -9.299 9.524 1.00 0.00 C ATOM 1033 CG ASN A 69 3.727 -10.115 9.441 1.00 0.00 C ATOM 1034 OD1 ASN A 69 4.797 -9.674 9.829 1.00 0.00 O ATOM 1035 ND2 ASN A 69 3.569 -11.326 8.914 1.00 0.00 N ATOM 0 H ASN A 69 4.116 -7.756 8.489 1.00 0.00 H new ATOM 0 HA ASN A 69 1.886 -9.234 7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.497 -8.599 10.357 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.595 -9.962 9.726 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.372 -11.948 8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.645 -11.633 8.609 1.00 0.00 H new ATOM 1042 N THR A 70 -0.079 -7.766 7.930 1.00 0.00 N ATOM 1043 CA THR A 70 -1.211 -6.870 8.096 1.00 0.00 C ATOM 1044 C THR A 70 -2.519 -7.662 8.123 1.00 0.00 C ATOM 1045 O THR A 70 -2.927 -8.229 7.110 1.00 0.00 O ATOM 1046 CB THR A 70 -1.156 -5.826 6.979 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.497 -5.354 6.878 1.00 0.00 O ATOM 1048 CG2 THR A 70 -0.875 -6.448 5.610 1.00 0.00 C ATOM 0 H THR A 70 -0.269 -8.592 7.362 1.00 0.00 H new ATOM 0 HA THR A 70 -1.164 -6.348 9.051 1.00 0.00 H new ATOM 0 HB THR A 70 -0.385 -5.090 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.499 -4.453 6.491 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.846 -5.664 4.853 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.085 -6.964 5.635 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.663 -7.160 5.365 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.142 -7.676 9.293 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.396 -8.390 9.465 1.00 0.00 C ATOM 1058 C ASN A 71 -5.560 -7.452 9.137 1.00 0.00 C ATOM 1059 O ASN A 71 -6.541 -7.394 9.876 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.564 -8.867 10.909 1.00 0.00 C ATOM 1061 CG ASN A 71 -4.652 -7.680 11.871 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -3.789 -6.819 11.916 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -5.739 -7.684 12.637 1.00 0.00 N ATOM 0 H ASN A 71 -2.802 -7.204 10.131 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.388 -9.253 8.799 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.465 -9.475 10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.723 -9.503 11.186 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.889 -6.935 13.313 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.423 -8.436 12.548 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.412 -6.742 8.029 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.439 -5.810 7.595 1.00 0.00 C ATOM 1072 C LYS A 72 -6.325 -5.600 6.083 1.00 0.00 C ATOM 1073 O LYS A 72 -5.458 -6.184 5.436 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.363 -4.514 8.403 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.938 -3.956 8.413 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.564 -3.432 9.801 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.516 -2.322 9.703 1.00 0.00 C ATOM 1078 NZ LYS A 72 -3.827 -1.230 10.653 1.00 0.00 N ATOM 0 H LYS A 72 -4.597 -6.793 7.418 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.431 -6.220 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.043 -3.776 7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.692 -4.699 9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.237 -4.735 8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.853 -3.152 7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.454 -3.053 10.303 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.178 -4.249 10.410 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.527 -2.727 9.917 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.487 -1.930 8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.106 -0.485 10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.762 -0.832 10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.832 -1.605 11.623 1.00 0.00 H new ATOM 1092 N THR A 73 -7.212 -4.764 5.566 1.00 0.00 N ATOM 1093 CA THR A 73 -7.222 -4.469 4.143 1.00 0.00 C ATOM 1094 C THR A 73 -6.383 -3.224 3.850 1.00 0.00 C ATOM 1095 O THR A 73 -6.367 -2.732 2.723 1.00 0.00 O ATOM 1096 CB THR A 73 -8.680 -4.338 3.697 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.339 -3.774 4.828 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.359 -5.695 3.508 1.00 0.00 C ATOM 0 H THR A 73 -7.929 -4.281 6.107 1.00 0.00 H new ATOM 0 HA THR A 73 -6.763 -5.274 3.569 1.00 0.00 H new ATOM 0 HB THR A 73 -8.725 -3.777 2.763 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.290 -3.653 4.626 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.391 -5.544 3.192 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.826 -6.266 2.748 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.345 -6.243 4.450 1.00 0.00 H new ATOM 1106 N SER A 74 -5.705 -2.749 4.886 1.00 0.00 N ATOM 1107 CA SER A 74 -4.865 -1.571 4.754 1.00 0.00 C ATOM 1108 C SER A 74 -3.494 -1.833 5.381 1.00 0.00 C ATOM 1109 O SER A 74 -3.237 -2.924 5.887 1.00 0.00 O ATOM 1110 CB SER A 74 -5.522 -0.351 5.404 1.00 0.00 C ATOM 1111 OG SER A 74 -6.137 0.500 4.441 1.00 0.00 O ATOM 0 H SER A 74 -5.721 -3.159 5.820 1.00 0.00 H new ATOM 0 HA SER A 74 -4.737 -1.359 3.693 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.269 -0.683 6.125 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.772 0.212 5.959 1.00 0.00 H new ATOM 0 HG SER A 74 -5.454 1.057 4.012 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.650 -0.813 5.327 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.312 -0.919 5.884 1.00 0.00 C ATOM 1119 C ALA A 75 -0.710 0.481 6.023 1.00 0.00 C ATOM 1120 O ALA A 75 -1.298 1.462 5.570 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.463 -1.834 4.999 1.00 0.00 C ATOM 0 H ALA A 75 -2.867 0.091 4.906 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.343 -1.364 6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.541 -1.914 5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.918 -2.823 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.406 -1.417 3.994 1.00 0.00 H new ATOM 1127 N GLU A 76 0.455 0.529 6.652 1.00 0.00 N ATOM 1128 CA GLU A 76 1.143 1.793 6.857 1.00 0.00 C ATOM 1129 C GLU A 76 2.656 1.598 6.737 1.00 0.00 C ATOM 1130 O GLU A 76 3.260 0.890 7.542 1.00 0.00 O ATOM 1131 CB GLU A 76 0.774 2.405 8.209 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.682 2.875 8.219 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.223 2.954 9.648 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.884 2.043 10.434 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.964 3.923 9.922 1.00 0.00 O ATOM 0 H GLU A 76 0.940 -0.286 7.026 1.00 0.00 H new ATOM 0 HA GLU A 76 0.823 2.489 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.928 1.670 8.999 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.433 3.246 8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.755 3.853 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.293 2.189 7.632 1.00 0.00 H new ATOM 1142 N LEU A 77 3.225 2.240 5.727 1.00 0.00 N ATOM 1143 CA LEU A 77 4.656 2.146 5.492 1.00 0.00 C ATOM 1144 C LEU A 77 5.299 3.513 5.737 1.00 0.00 C ATOM 1145 O LEU A 77 4.613 4.471 6.090 1.00 0.00 O ATOM 1146 CB LEU A 77 4.934 1.576 4.100 1.00 0.00 C ATOM 1147 CG LEU A 77 4.521 0.120 3.876 1.00 0.00 C ATOM 1148 CD1 LEU A 77 4.115 -0.117 2.420 1.00 0.00 C ATOM 1149 CD2 LEU A 77 5.625 -0.838 4.327 1.00 0.00 C ATOM 0 H LEU A 77 2.721 2.827 5.062 1.00 0.00 H new ATOM 0 HA LEU A 77 5.113 1.448 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.419 2.196 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.002 1.665 3.899 1.00 0.00 H new ATOM 0 HG LEU A 77 3.645 -0.086 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.826 -1.160 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.273 0.528 2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.956 0.112 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.306 -1.866 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.533 -0.641 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.824 -0.690 5.389 1.00 0.00 H new ATOM 1161 N VAL A 78 6.608 3.559 5.541 1.00 0.00 N ATOM 1162 CA VAL A 78 7.351 4.792 5.736 1.00 0.00 C ATOM 1163 C VAL A 78 7.550 5.482 4.385 1.00 0.00 C ATOM 1164 O VAL A 78 7.514 4.833 3.341 1.00 0.00 O ATOM 1165 CB VAL A 78 8.669 4.500 6.458 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.415 3.873 7.830 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.575 3.609 5.606 1.00 0.00 C ATOM 0 H VAL A 78 7.174 2.762 5.249 1.00 0.00 H new ATOM 0 HA VAL A 78 6.792 5.478 6.372 1.00 0.00 H new ATOM 0 HB VAL A 78 9.183 5.448 6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.368 3.676 8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.827 4.559 8.440 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.869 2.937 7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.504 3.417 6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.070 2.664 5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.796 4.110 4.664 1.00 0.00 H new ATOM 1177 N LEU A 79 7.755 6.789 4.449 1.00 0.00 N ATOM 1178 CA LEU A 79 7.959 7.575 3.244 1.00 0.00 C ATOM 1179 C LEU A 79 9.340 7.261 2.664 1.00 0.00 C ATOM 1180 O LEU A 79 10.309 7.110 3.406 1.00 0.00 O ATOM 1181 CB LEU A 79 7.735 9.061 3.529 1.00 0.00 C ATOM 1182 CG LEU A 79 8.558 9.657 4.673 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.057 9.518 4.400 1.00 0.00 C ATOM 1184 CD2 LEU A 79 8.157 11.109 4.939 1.00 0.00 C ATOM 0 H LEU A 79 7.784 7.324 5.317 1.00 0.00 H new ATOM 0 HA LEU A 79 7.225 7.306 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.954 9.622 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.679 9.213 3.751 1.00 0.00 H new ATOM 0 HG LEU A 79 8.341 9.092 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.619 9.949 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.312 8.463 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.309 10.042 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.757 11.508 5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.326 11.703 4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.102 11.151 5.209 1.00 0.00 H new ATOM 1196 N PRO A 80 9.386 7.170 1.308 1.00 0.00 N ATOM 1197 CA PRO A 80 10.632 6.878 0.620 1.00 0.00 C ATOM 1198 C PRO A 80 11.550 8.101 0.604 1.00 0.00 C ATOM 1199 O PRO A 80 11.086 9.232 0.739 1.00 0.00 O ATOM 1200 CB PRO A 80 10.217 6.428 -0.772 1.00 0.00 C ATOM 1201 CG PRO A 80 8.794 6.927 -0.963 1.00 0.00 C ATOM 1202 CD PRO A 80 8.258 7.343 0.397 1.00 0.00 C ATOM 0 HA PRO A 80 11.215 6.103 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.881 6.842 -1.531 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.266 5.343 -0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.775 7.769 -1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.170 6.145 -1.396 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.912 8.377 0.387 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.410 6.726 0.694 1.00 0.00 H new ATOM 1210 N ILE A 81 12.837 7.833 0.437 1.00 0.00 N ATOM 1211 CA ILE A 81 13.825 8.899 0.401 1.00 0.00 C ATOM 1212 C ILE A 81 14.226 9.169 -1.050 1.00 0.00 C ATOM 1213 O ILE A 81 14.212 10.314 -1.499 1.00 0.00 O ATOM 1214 CB ILE A 81 15.007 8.564 1.313 1.00 0.00 C ATOM 1215 CG1 ILE A 81 14.525 8.149 2.705 1.00 0.00 C ATOM 1216 CG2 ILE A 81 16.000 9.727 1.373 1.00 0.00 C ATOM 1217 CD1 ILE A 81 13.978 9.352 3.477 1.00 0.00 C ATOM 0 H ILE A 81 13.219 6.894 0.325 1.00 0.00 H new ATOM 0 HA ILE A 81 13.401 9.824 0.792 1.00 0.00 H new ATOM 0 HB ILE A 81 15.536 7.711 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 81 13.750 7.388 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 81 15.349 7.700 3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.830 9.463 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.379 9.934 0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.499 10.613 1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 81 13.642 9.030 4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 81 14.763 10.101 3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 81 13.139 9.784 2.931 1.00 0.00 H new ATOM 1229 N LYS A 82 14.572 8.095 -1.744 1.00 0.00 N ATOM 1230 CA LYS A 82 14.976 8.201 -3.136 1.00 0.00 C ATOM 1231 C LYS A 82 14.410 7.015 -3.919 1.00 0.00 C ATOM 1232 O LYS A 82 14.081 5.983 -3.337 1.00 0.00 O ATOM 1233 CB LYS A 82 16.496 8.340 -3.244 1.00 0.00 C ATOM 1234 CG LYS A 82 16.924 9.804 -3.116 1.00 0.00 C ATOM 1235 CD LYS A 82 18.003 10.151 -4.143 1.00 0.00 C ATOM 1236 CE LYS A 82 19.155 10.917 -3.489 1.00 0.00 C ATOM 1237 NZ LYS A 82 20.078 11.444 -4.519 1.00 0.00 N ATOM 0 H LYS A 82 14.581 7.147 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 82 14.564 9.105 -3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.975 7.748 -2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.834 7.941 -4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.060 10.453 -3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.301 9.990 -2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.382 9.237 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.570 10.752 -4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.760 11.739 -2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.697 10.260 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.854 11.961 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.468 10.654 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.561 12.087 -5.152 1.00 0.00 H new ATOM 1251 N GLU A 83 14.313 7.203 -5.227 1.00 0.00 N ATOM 1252 CA GLU A 83 13.792 6.161 -6.096 1.00 0.00 C ATOM 1253 C GLU A 83 12.326 5.877 -5.764 1.00 0.00 C ATOM 1254 O GLU A 83 11.935 5.896 -4.598 1.00 0.00 O ATOM 1255 CB GLU A 83 14.635 4.888 -5.992 1.00 0.00 C ATOM 1256 CG GLU A 83 15.772 4.898 -7.016 1.00 0.00 C ATOM 1257 CD GLU A 83 17.107 4.548 -6.355 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.138 3.516 -5.650 1.00 0.00 O ATOM 1259 OE2 GLU A 83 18.066 5.321 -6.570 1.00 0.00 O ATOM 0 H GLU A 83 14.586 8.061 -5.706 1.00 0.00 H new ATOM 0 HA GLU A 83 13.849 6.512 -7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.047 4.802 -4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.003 4.015 -6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.557 4.184 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.839 5.882 -7.481 1.00 0.00 H new ATOM 1266 N ASP A 84 11.555 5.621 -6.811 1.00 0.00 N ATOM 1267 CA ASP A 84 10.140 5.333 -6.645 1.00 0.00 C ATOM 1268 C ASP A 84 9.971 4.184 -5.649 1.00 0.00 C ATOM 1269 O ASP A 84 10.955 3.625 -5.168 1.00 0.00 O ATOM 1270 CB ASP A 84 9.505 4.907 -7.970 1.00 0.00 C ATOM 1271 CG ASP A 84 8.190 5.609 -8.313 1.00 0.00 C ATOM 1272 OD1 ASP A 84 7.195 5.325 -7.612 1.00 0.00 O ATOM 1273 OD2 ASP A 84 8.210 6.416 -9.268 1.00 0.00 O ATOM 0 H ASP A 84 11.883 5.607 -7.777 1.00 0.00 H new ATOM 0 HA ASP A 84 9.652 6.239 -6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.218 5.092 -8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.329 3.832 -7.942 1.00 0.00 H new ATOM 1278 N TYR A 85 8.716 3.866 -5.368 1.00 0.00 N ATOM 1279 CA TYR A 85 8.405 2.794 -4.438 1.00 0.00 C ATOM 1280 C TYR A 85 7.454 1.777 -5.072 1.00 0.00 C ATOM 1281 O TYR A 85 6.353 2.130 -5.492 1.00 0.00 O ATOM 1282 CB TYR A 85 7.706 3.457 -3.249 1.00 0.00 C ATOM 1283 CG TYR A 85 8.250 3.022 -1.887 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.608 3.053 -1.644 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.382 2.599 -0.900 1.00 0.00 C ATOM 1286 CE1 TYR A 85 10.120 2.644 -0.362 1.00 0.00 C ATOM 1287 CE2 TYR A 85 7.894 2.190 0.382 1.00 0.00 C ATOM 1288 CZ TYR A 85 9.238 2.233 0.588 1.00 0.00 C ATOM 1289 OH TYR A 85 9.721 1.847 1.799 1.00 0.00 O ATOM 0 H TYR A 85 7.902 4.332 -5.768 1.00 0.00 H new ATOM 0 HA TYR A 85 9.311 2.263 -4.147 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.804 4.539 -3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.641 3.229 -3.293 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.287 3.384 -2.416 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.319 2.575 -1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.181 2.663 -0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.226 1.857 1.163 1.00 0.00 H new ATOM 0 HH TYR A 85 8.977 1.580 2.378 1.00 0.00 H new ATOM 1299 N ILE A 86 7.913 0.535 -5.120 1.00 0.00 N ATOM 1300 CA ILE A 86 7.116 -0.535 -5.695 1.00 0.00 C ATOM 1301 C ILE A 86 6.463 -1.340 -4.570 1.00 0.00 C ATOM 1302 O ILE A 86 7.113 -2.170 -3.936 1.00 0.00 O ATOM 1303 CB ILE A 86 7.965 -1.383 -6.645 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.243 -0.634 -7.949 1.00 0.00 C ATOM 1305 CG2 ILE A 86 7.313 -2.745 -6.894 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.722 0.793 -7.670 1.00 0.00 C ATOM 0 H ILE A 86 8.826 0.246 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 86 6.310 -0.125 -6.303 1.00 0.00 H new ATOM 0 HB ILE A 86 8.928 -1.568 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.998 -1.169 -8.526 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.338 -0.606 -8.556 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.936 -3.328 -7.572 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.209 -3.277 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.328 -2.601 -7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.913 1.304 -8.614 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.955 1.332 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.640 0.760 -7.083 1.00 0.00 H new ATOM 1318 N ILE A 87 5.184 -1.066 -4.355 1.00 0.00 N ATOM 1319 CA ILE A 87 4.435 -1.754 -3.317 1.00 0.00 C ATOM 1320 C ILE A 87 3.577 -2.849 -3.954 1.00 0.00 C ATOM 1321 O ILE A 87 3.039 -2.665 -5.045 1.00 0.00 O ATOM 1322 CB ILE A 87 3.635 -0.753 -2.481 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.397 0.564 -2.325 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.246 -1.355 -1.129 1.00 0.00 C ATOM 1325 CD1 ILE A 87 4.047 1.246 -1.001 1.00 0.00 C ATOM 0 H ILE A 87 4.648 -0.377 -4.882 1.00 0.00 H new ATOM 0 HA ILE A 87 5.113 -2.246 -2.620 1.00 0.00 H new ATOM 0 HB ILE A 87 2.710 -0.528 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.470 0.375 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.156 1.228 -3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.678 -0.623 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.635 -2.244 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.147 -1.628 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.602 2.180 -0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.978 1.455 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.311 0.589 -0.172 1.00 0.00 H new ATOM 1337 N GLU A 88 3.475 -3.964 -3.246 1.00 0.00 N ATOM 1338 CA GLU A 88 2.692 -5.088 -3.729 1.00 0.00 C ATOM 1339 C GLU A 88 1.863 -5.685 -2.590 1.00 0.00 C ATOM 1340 O GLU A 88 2.411 -6.094 -1.567 1.00 0.00 O ATOM 1341 CB GLU A 88 3.590 -6.149 -4.368 1.00 0.00 C ATOM 1342 CG GLU A 88 3.561 -6.045 -5.894 1.00 0.00 C ATOM 1343 CD GLU A 88 3.317 -7.415 -6.532 1.00 0.00 C ATOM 1344 OE1 GLU A 88 3.949 -8.383 -6.055 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.506 -7.462 -7.481 1.00 0.00 O ATOM 0 H GLU A 88 3.922 -4.113 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 88 2.010 -4.726 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.613 -6.028 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.261 -7.142 -4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.777 -5.352 -6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.506 -5.636 -6.252 1.00 0.00 H new ATOM 1352 N VAL A 89 0.556 -5.717 -2.805 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.354 -6.258 -1.809 1.00 0.00 C ATOM 1354 C VAL A 89 -0.614 -7.735 -2.111 1.00 0.00 C ATOM 1355 O VAL A 89 -0.904 -8.098 -3.250 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.635 -5.422 -1.762 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.586 -5.938 -0.681 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.316 -3.941 -1.551 1.00 0.00 C ATOM 0 H VAL A 89 0.105 -5.377 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 89 0.090 -6.203 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.136 -5.522 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.488 -5.327 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.852 -6.973 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.096 -5.882 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.244 -3.370 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.782 -3.814 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.695 -3.582 -2.372 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.501 -8.547 -1.070 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.721 -9.977 -1.209 1.00 0.00 C ATOM 1370 C LYS A 90 -1.683 -10.449 -0.118 1.00 0.00 C ATOM 1371 O LYS A 90 -1.727 -9.872 0.968 1.00 0.00 O ATOM 1372 CB LYS A 90 0.614 -10.725 -1.220 1.00 0.00 C ATOM 1373 CG LYS A 90 1.037 -11.073 -2.648 1.00 0.00 C ATOM 1374 CD LYS A 90 1.852 -12.367 -2.679 1.00 0.00 C ATOM 1375 CE LYS A 90 3.303 -12.092 -3.078 1.00 0.00 C ATOM 1376 NZ LYS A 90 3.688 -12.923 -4.241 1.00 0.00 N ATOM 0 H LYS A 90 -0.260 -8.242 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.192 -10.200 -2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.382 -10.112 -0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.528 -11.637 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.153 -11.181 -3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.627 -10.257 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.825 -12.842 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.404 -13.067 -3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.426 -11.037 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.964 -12.304 -2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.717 -12.866 -4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.417 -13.912 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.202 -12.576 -5.092 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.429 -11.495 -0.443 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.387 -12.051 0.496 1.00 0.00 C ATOM 1392 C ALA A 91 -2.849 -13.374 1.044 1.00 0.00 C ATOM 1393 O ALA A 91 -2.440 -14.247 0.279 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.743 -12.215 -0.194 1.00 0.00 C ATOM 0 H ALA A 91 -2.389 -11.972 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.530 -11.378 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.462 -12.632 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.096 -11.243 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.639 -12.887 -1.046 1.00 0.00 H new ATOM 1400 N THR A 92 -2.865 -13.482 2.365 1.00 0.00 N ATOM 1401 CA THR A 92 -2.383 -14.684 3.024 1.00 0.00 C ATOM 1402 C THR A 92 -3.543 -15.644 3.297 1.00 0.00 C ATOM 1403 O THR A 92 -4.685 -15.214 3.455 1.00 0.00 O ATOM 1404 CB THR A 92 -1.633 -14.261 4.288 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.655 -13.764 5.148 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.723 -13.054 4.054 1.00 0.00 C ATOM 0 H THR A 92 -3.204 -12.756 2.997 1.00 0.00 H new ATOM 0 HA THR A 92 -1.691 -15.234 2.387 1.00 0.00 H new ATOM 0 HB THR A 92 -1.038 -15.098 4.653 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.256 -13.469 5.993 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.215 -12.796 4.983 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.017 -13.298 3.292 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.322 -12.206 3.720 1.00 0.00 H new ATOM 1414 N THR A 93 -3.210 -16.925 3.344 1.00 0.00 N ATOM 1415 CA THR A 93 -4.210 -17.949 3.596 1.00 0.00 C ATOM 1416 C THR A 93 -3.670 -18.992 4.577 1.00 0.00 C ATOM 1417 O THR A 93 -2.581 -18.828 5.126 1.00 0.00 O ATOM 1418 CB THR A 93 -4.629 -18.542 2.249 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.395 -18.778 1.575 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.350 -17.526 1.361 1.00 0.00 C ATOM 0 H THR A 93 -2.262 -17.278 3.212 1.00 0.00 H new ATOM 0 HA THR A 93 -5.096 -17.528 4.072 1.00 0.00 H new ATOM 0 HB THR A 93 -5.277 -19.402 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.651 -18.487 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.625 -17.998 0.418 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.249 -17.174 1.867 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.690 -16.681 1.165 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.456 -20.041 4.768 1.00 0.00 N ATOM 1429 CA ASP A 94 -4.071 -21.110 5.674 1.00 0.00 C ATOM 1430 C ASP A 94 -2.938 -21.922 5.044 1.00 0.00 C ATOM 1431 O ASP A 94 -2.228 -22.647 5.740 1.00 0.00 O ATOM 1432 CB ASP A 94 -5.243 -22.058 5.937 1.00 0.00 C ATOM 1433 CG ASP A 94 -5.455 -22.432 7.405 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -5.069 -21.607 8.262 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -5.998 -23.533 7.638 1.00 0.00 O ATOM 0 H ASP A 94 -5.358 -20.174 4.311 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.755 -20.658 6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.156 -21.597 5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.087 -22.972 5.364 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.804 -21.774 3.734 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.769 -22.485 3.003 1.00 0.00 C ATOM 1442 C GLY A 95 -0.514 -21.624 2.852 1.00 0.00 C ATOM 1443 O GLY A 95 0.600 -22.144 2.815 1.00 0.00 O ATOM 0 H GLY A 95 -3.395 -21.172 3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.520 -23.409 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.142 -22.766 2.018 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.736 -20.320 2.768 1.00 0.00 N ATOM 1448 CA GLY A 96 0.363 -19.381 2.621 1.00 0.00 C ATOM 1449 C GLY A 96 -0.094 -18.109 1.905 1.00 0.00 C ATOM 1450 O GLY A 96 -1.255 -17.716 2.011 1.00 0.00 O ATOM 0 H GLY A 96 -1.661 -19.892 2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.762 -19.126 3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.172 -19.848 2.059 1.00 0.00 H new ATOM 1454 N ASP A 97 0.842 -17.500 1.192 1.00 0.00 N ATOM 1455 CA ASP A 97 0.550 -16.281 0.459 1.00 0.00 C ATOM 1456 C ASP A 97 -0.348 -16.611 -0.735 1.00 0.00 C ATOM 1457 O ASP A 97 -0.629 -17.779 -1.001 1.00 0.00 O ATOM 1458 CB ASP A 97 1.831 -15.640 -0.077 1.00 0.00 C ATOM 1459 CG ASP A 97 3.075 -15.862 0.786 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.377 -17.046 1.052 1.00 0.00 O ATOM 1461 OD2 ASP A 97 3.697 -14.844 1.159 1.00 0.00 O ATOM 0 H ASP A 97 1.804 -17.829 1.107 1.00 0.00 H new ATOM 0 HA ASP A 97 0.058 -15.588 1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.025 -16.032 -1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.667 -14.568 -0.182 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.774 -15.562 -1.423 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.634 -15.726 -2.582 1.00 0.00 C ATOM 1468 C GLY A 98 -1.042 -15.029 -3.808 1.00 0.00 C ATOM 1469 O GLY A 98 0.076 -15.336 -4.222 1.00 0.00 O ATOM 0 H GLY A 98 -0.539 -14.595 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.768 -16.787 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.621 -15.316 -2.368 1.00 0.00 H new ATOM 1473 N THR A 99 -1.816 -14.103 -4.355 1.00 0.00 N ATOM 1474 CA THR A 99 -1.382 -13.360 -5.525 1.00 0.00 C ATOM 1475 C THR A 99 -1.137 -11.893 -5.165 1.00 0.00 C ATOM 1476 O THR A 99 -1.797 -11.349 -4.282 1.00 0.00 O ATOM 1477 CB THR A 99 -2.431 -13.549 -6.622 1.00 0.00 C ATOM 1478 OG1 THR A 99 -2.726 -14.943 -6.584 1.00 0.00 O ATOM 1479 CG2 THR A 99 -1.860 -13.328 -8.024 1.00 0.00 C ATOM 0 H THR A 99 -2.742 -13.851 -4.009 1.00 0.00 H new ATOM 0 HA THR A 99 -0.429 -13.734 -5.899 1.00 0.00 H new ATOM 0 HB THR A 99 -3.258 -12.860 -6.454 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.234 -15.192 -7.384 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.646 -13.475 -8.764 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.472 -12.312 -8.103 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.054 -14.039 -8.205 1.00 0.00 H new ATOM 1487 N SER A 100 -0.186 -11.295 -5.868 1.00 0.00 N ATOM 1488 CA SER A 100 0.154 -9.902 -5.633 1.00 0.00 C ATOM 1489 C SER A 100 -0.584 -9.008 -6.632 1.00 0.00 C ATOM 1490 O SER A 100 -0.606 -9.294 -7.828 1.00 0.00 O ATOM 1491 CB SER A 100 1.664 -9.679 -5.735 1.00 0.00 C ATOM 1492 OG SER A 100 2.403 -10.800 -5.257 1.00 0.00 O ATOM 0 H SER A 100 0.359 -11.750 -6.600 1.00 0.00 H new ATOM 0 HA SER A 100 -0.157 -9.640 -4.622 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.932 -9.484 -6.773 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.939 -8.793 -5.163 1.00 0.00 H new ATOM 0 HG SER A 100 3.175 -10.956 -5.841 1.00 0.00 H new ATOM 1498 N SER A 101 -1.169 -7.943 -6.104 1.00 0.00 N ATOM 1499 CA SER A 101 -1.905 -7.005 -6.935 1.00 0.00 C ATOM 1500 C SER A 101 -0.938 -6.223 -7.824 1.00 0.00 C ATOM 1501 O SER A 101 0.229 -6.590 -7.952 1.00 0.00 O ATOM 1502 CB SER A 101 -2.735 -6.045 -6.079 1.00 0.00 C ATOM 1503 OG SER A 101 -1.913 -5.180 -5.300 1.00 0.00 O ATOM 0 H SER A 101 -1.148 -7.709 -5.111 1.00 0.00 H new ATOM 0 HA SER A 101 -2.590 -7.571 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.380 -5.449 -6.724 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.386 -6.618 -5.419 1.00 0.00 H new ATOM 0 HG SER A 101 -1.851 -4.306 -5.738 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.458 -5.158 -8.417 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.655 -4.320 -9.291 1.00 0.00 C ATOM 1511 C GLU A 102 0.319 -3.475 -8.468 1.00 0.00 C ATOM 1512 O GLU A 102 -0.088 -2.778 -7.541 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.542 -3.435 -10.169 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.623 -3.984 -11.595 1.00 0.00 C ATOM 1515 CD GLU A 102 -0.992 -3.011 -12.594 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -1.456 -1.850 -12.625 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -0.061 -3.449 -13.303 1.00 0.00 O ATOM 0 H GLU A 102 -2.426 -4.856 -8.309 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.077 -4.966 -9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.542 -3.377 -9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.144 -2.420 -10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.113 -4.946 -11.648 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.665 -4.160 -11.862 1.00 0.00 H new ATOM 1524 N GLN A 103 1.589 -3.566 -8.838 1.00 0.00 N ATOM 1525 CA GLN A 103 2.625 -2.818 -8.145 1.00 0.00 C ATOM 1526 C GLN A 103 2.266 -1.332 -8.099 1.00 0.00 C ATOM 1527 O GLN A 103 1.797 -0.772 -9.089 1.00 0.00 O ATOM 1528 CB GLN A 103 3.989 -3.033 -8.804 1.00 0.00 C ATOM 1529 CG GLN A 103 4.722 -4.219 -8.173 1.00 0.00 C ATOM 1530 CD GLN A 103 5.950 -4.606 -8.998 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.617 -3.776 -9.594 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.211 -5.910 -9.001 1.00 0.00 N ATOM 0 H GLN A 103 1.923 -4.146 -9.608 1.00 0.00 H new ATOM 0 HA GLN A 103 2.690 -3.187 -7.122 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.857 -3.209 -9.872 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.593 -2.131 -8.701 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.027 -3.964 -7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.046 -5.071 -8.099 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.612 -6.551 -8.481 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.010 -6.269 -9.524 1.00 0.00 H new ATOM 1541 N ILE A 104 2.499 -0.735 -6.940 1.00 0.00 N ATOM 1542 CA ILE A 104 2.206 0.676 -6.752 1.00 0.00 C ATOM 1543 C ILE A 104 3.459 1.498 -7.063 1.00 0.00 C ATOM 1544 O ILE A 104 4.577 0.998 -6.955 1.00 0.00 O ATOM 1545 CB ILE A 104 1.640 0.924 -5.353 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.751 -0.239 -4.907 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.905 2.265 -5.288 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.366 0.248 -3.981 1.00 0.00 C ATOM 0 H ILE A 104 2.888 -1.203 -6.121 1.00 0.00 H new ATOM 0 HA ILE A 104 1.431 1.000 -7.446 1.00 0.00 H new ATOM 0 HB ILE A 104 2.473 0.979 -4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.318 -0.726 -5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.355 -0.986 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.512 2.416 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.597 3.071 -5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.082 2.264 -6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.983 -0.598 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.071 0.713 -3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.983 0.977 -4.507 1.00 0.00 H new ATOM 1560 N ARG A 105 3.229 2.746 -7.444 1.00 0.00 N ATOM 1561 CA ARG A 105 4.324 3.643 -7.771 1.00 0.00 C ATOM 1562 C ARG A 105 4.256 4.903 -6.906 1.00 0.00 C ATOM 1563 O ARG A 105 3.386 5.750 -7.103 1.00 0.00 O ATOM 1564 CB ARG A 105 4.286 4.044 -9.247 1.00 0.00 C ATOM 1565 CG ARG A 105 5.699 4.154 -9.823 1.00 0.00 C ATOM 1566 CD ARG A 105 5.701 3.879 -11.328 1.00 0.00 C ATOM 1567 NE ARG A 105 6.902 4.481 -11.950 1.00 0.00 N ATOM 1568 CZ ARG A 105 7.049 4.671 -13.269 1.00 0.00 C ATOM 1569 NH1 ARG A 105 6.073 4.307 -14.111 1.00 0.00 N ATOM 1570 NH2 ARG A 105 8.173 5.224 -13.744 1.00 0.00 N ATOM 0 H ARG A 105 2.300 3.157 -7.534 1.00 0.00 H new ATOM 0 HA ARG A 105 5.256 3.113 -7.574 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.715 3.308 -9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.770 4.998 -9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.097 5.150 -9.631 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.357 3.446 -9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.687 2.804 -11.510 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.800 4.291 -11.783 1.00 0.00 H new ATOM 0 HE ARG A 105 7.665 4.769 -11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.218 3.885 -13.749 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.185 4.452 -15.114 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.916 5.500 -13.102 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.286 5.369 -14.747 1.00 0.00 H new ATOM 1584 N ILE A 106 5.186 4.987 -5.965 1.00 0.00 N ATOM 1585 CA ILE A 106 5.242 6.129 -5.069 1.00 0.00 C ATOM 1586 C ILE A 106 6.603 6.814 -5.208 1.00 0.00 C ATOM 1587 O ILE A 106 7.585 6.380 -4.607 1.00 0.00 O ATOM 1588 CB ILE A 106 4.911 5.703 -3.637 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.632 4.866 -3.595 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.832 6.917 -2.708 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.438 4.227 -2.219 1.00 0.00 C ATOM 0 H ILE A 106 5.906 4.283 -5.804 1.00 0.00 H new ATOM 0 HA ILE A 106 4.485 6.865 -5.341 1.00 0.00 H new ATOM 0 HB ILE A 106 5.721 5.071 -3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.774 5.495 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.677 4.088 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.595 6.586 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.790 7.436 -2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.054 7.594 -3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.521 3.638 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.286 3.579 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.369 5.008 -1.462 1.00 0.00 H new ATOM 1603 N PRO A 107 6.618 7.902 -6.025 1.00 0.00 N ATOM 1604 CA PRO A 107 7.842 8.651 -6.250 1.00 0.00 C ATOM 1605 C PRO A 107 8.188 9.515 -5.036 1.00 0.00 C ATOM 1606 O PRO A 107 7.341 9.749 -4.175 1.00 0.00 O ATOM 1607 CB PRO A 107 7.578 9.468 -7.504 1.00 0.00 C ATOM 1608 CG PRO A 107 6.067 9.501 -7.670 1.00 0.00 C ATOM 1609 CD PRO A 107 5.474 8.444 -6.752 1.00 0.00 C ATOM 0 HA PRO A 107 8.710 8.006 -6.386 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.982 10.476 -7.406 1.00 0.00 H new ATOM 0 HB3 PRO A 107 8.057 9.016 -8.373 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.677 10.487 -7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.792 9.304 -8.706 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.741 8.877 -6.071 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.962 7.668 -7.320 1.00 0.00 H new ATOM 1617 N ARG A 108 9.433 9.966 -5.005 1.00 0.00 N ATOM 1618 CA ARG A 108 9.901 10.800 -3.911 1.00 0.00 C ATOM 1619 C ARG A 108 8.810 11.787 -3.492 1.00 0.00 C ATOM 1620 O ARG A 108 8.202 12.441 -4.338 1.00 0.00 O ATOM 1621 CB ARG A 108 11.158 11.576 -4.308 1.00 0.00 C ATOM 1622 CG ARG A 108 12.367 10.645 -4.415 1.00 0.00 C ATOM 1623 CD ARG A 108 12.930 10.638 -5.838 1.00 0.00 C ATOM 1624 NE ARG A 108 13.204 12.024 -6.281 1.00 0.00 N ATOM 1625 CZ ARG A 108 13.500 12.364 -7.542 1.00 0.00 C ATOM 1626 NH1 ARG A 108 13.562 11.422 -8.494 1.00 0.00 N ATOM 1627 NH2 ARG A 108 13.733 13.647 -7.853 1.00 0.00 N ATOM 0 H ARG A 108 10.133 9.770 -5.721 1.00 0.00 H new ATOM 0 HA ARG A 108 10.143 10.145 -3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.994 12.076 -5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.358 12.354 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.140 10.965 -3.716 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.078 9.634 -4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.846 10.049 -5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.220 10.164 -6.516 1.00 0.00 H new ATOM 0 HE ARG A 108 13.165 12.766 -5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.384 10.446 -8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.787 11.682 -9.454 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.685 14.364 -7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.958 13.906 -8.813 1.00 0.00 H new