USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=23 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 57 TYR OH : rot 149:sc= 0.379 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.326 K(o=0.7,f=-0.8!) USER MOD Set 2.1: A 37 ASN :FLIP amide:sc= -1.81 F(o=-3.4,f=-2) USER MOD Set 2.2: A 74 SER OG : rot -76:sc= -0.175 USER MOD Single : A 16 THR OG1 : rot -44:sc= 0.808 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 24 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.3!) USER MOD Single : A 28 ASN : amide:sc= -1.92 K(o=-1.9,f=-2.6) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 32 THR OG1 : rot -73:sc= 0.622 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 42 LYS NZ :NH3+ -146:sc= -0.0131 (180deg=-0.325) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 53 TYR OH : rot 15:sc= 0.823 USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= -0.0852 (180deg=-1.49!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.065 X(o=-0.065,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 177:sc= -0.646 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 62:sc= 0.19 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 90 LYS NZ :NH3+ 168:sc= -0.139 (180deg=-0.263) USER MOD Single : A 92 THR OG1 : rot 180:sc= -2.1 USER MOD Single : A 93 THR OG1 : rot 120:sc= -1.29 USER MOD Single : A 99 THR OG1 : rot -170:sc= 0 USER MOD Single : A 100 SER OG : rot 63:sc= -1.4! USER MOD Single : A 101 SER OG : rot 100:sc= -0.0874 USER MOD Single : A 103 GLN : amide:sc= -5.72! C(o=-5.7!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -6.300 -24.596 -0.575 1.00 0.00 N ATOM 199 CA THR A 16 -5.390 -23.793 -1.374 1.00 0.00 C ATOM 200 C THR A 16 -5.813 -22.323 -1.350 1.00 0.00 C ATOM 201 O THR A 16 -6.982 -22.014 -1.126 1.00 0.00 O ATOM 202 CB THR A 16 -5.344 -24.390 -2.782 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.688 -24.792 -3.032 1.00 0.00 O ATOM 204 CG2 THR A 16 -4.547 -25.695 -2.839 1.00 0.00 C ATOM 0 HA THR A 16 -4.380 -23.814 -0.964 1.00 0.00 H new ATOM 0 HB THR A 16 -4.905 -23.667 -3.469 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.046 -25.248 -2.241 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.546 -26.076 -3.860 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.521 -25.509 -2.520 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.005 -26.430 -2.178 1.00 0.00 H new ATOM 212 N PRO A 17 -4.814 -21.433 -1.591 1.00 0.00 N ATOM 213 CA PRO A 17 -5.071 -20.003 -1.599 1.00 0.00 C ATOM 214 C PRO A 17 -5.799 -19.585 -2.878 1.00 0.00 C ATOM 215 O PRO A 17 -5.607 -20.189 -3.932 1.00 0.00 O ATOM 216 CB PRO A 17 -3.703 -19.356 -1.455 1.00 0.00 C ATOM 217 CG PRO A 17 -2.694 -20.427 -1.838 1.00 0.00 C ATOM 218 CD PRO A 17 -3.417 -21.763 -1.860 1.00 0.00 C ATOM 0 HA PRO A 17 -5.731 -19.689 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.613 -18.484 -2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.539 -19.012 -0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.261 -20.211 -2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.872 -20.450 -1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.306 -22.258 -2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.018 -22.442 -1.106 1.00 0.00 H new ATOM 226 N PRO A 18 -6.640 -18.525 -2.740 1.00 0.00 N ATOM 227 CA PRO A 18 -7.398 -18.019 -3.872 1.00 0.00 C ATOM 228 C PRO A 18 -6.499 -17.225 -4.822 1.00 0.00 C ATOM 229 O PRO A 18 -5.625 -16.481 -4.379 1.00 0.00 O ATOM 230 CB PRO A 18 -8.505 -17.177 -3.259 1.00 0.00 C ATOM 231 CG PRO A 18 -8.054 -16.863 -1.842 1.00 0.00 C ATOM 232 CD PRO A 18 -6.892 -17.785 -1.508 1.00 0.00 C ATOM 0 HA PRO A 18 -7.816 -18.815 -4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.662 -16.262 -3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.451 -17.718 -3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.749 -15.820 -1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.873 -17.011 -1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.013 -17.219 -1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.143 -18.457 -0.687 1.00 0.00 H new ATOM 240 N SER A 19 -6.744 -17.410 -6.111 1.00 0.00 N ATOM 241 CA SER A 19 -5.968 -16.720 -7.127 1.00 0.00 C ATOM 242 C SER A 19 -6.615 -15.373 -7.455 1.00 0.00 C ATOM 243 O SER A 19 -6.582 -14.928 -8.602 1.00 0.00 O ATOM 244 CB SER A 19 -5.839 -17.570 -8.393 1.00 0.00 C ATOM 245 OG SER A 19 -4.575 -18.223 -8.472 1.00 0.00 O ATOM 0 H SER A 19 -7.469 -18.028 -6.475 1.00 0.00 H new ATOM 0 HA SER A 19 -4.966 -16.548 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.634 -18.316 -8.411 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.975 -16.937 -9.270 1.00 0.00 H new ATOM 0 HG SER A 19 -4.533 -18.756 -9.293 1.00 0.00 H new ATOM 251 N GLN A 20 -7.187 -14.762 -6.429 1.00 0.00 N ATOM 252 CA GLN A 20 -7.841 -13.475 -6.594 1.00 0.00 C ATOM 253 C GLN A 20 -7.082 -12.392 -5.824 1.00 0.00 C ATOM 254 O GLN A 20 -7.087 -12.380 -4.594 1.00 0.00 O ATOM 255 CB GLN A 20 -9.303 -13.541 -6.149 1.00 0.00 C ATOM 256 CG GLN A 20 -9.758 -12.205 -5.558 1.00 0.00 C ATOM 257 CD GLN A 20 -11.279 -12.165 -5.399 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.930 -13.169 -5.158 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.807 -10.954 -5.546 1.00 0.00 N ATOM 0 H GLN A 20 -7.211 -15.134 -5.480 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.830 -13.217 -7.653 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.934 -13.800 -6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.426 -14.331 -5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.283 -12.052 -4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.435 -11.389 -6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.204 -10.156 -5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.815 -10.823 -5.458 1.00 0.00 H new ATOM 268 N PRO A 21 -6.431 -11.484 -6.600 1.00 0.00 N ATOM 269 CA PRO A 21 -5.669 -10.400 -6.004 1.00 0.00 C ATOM 270 C PRO A 21 -6.598 -9.315 -5.455 1.00 0.00 C ATOM 271 O PRO A 21 -7.733 -9.176 -5.908 1.00 0.00 O ATOM 272 CB PRO A 21 -4.763 -9.898 -7.117 1.00 0.00 C ATOM 273 CG PRO A 21 -5.375 -10.404 -8.413 1.00 0.00 C ATOM 274 CD PRO A 21 -6.402 -11.467 -8.060 1.00 0.00 C ATOM 0 HA PRO A 21 -5.081 -10.722 -5.144 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.704 -8.810 -7.112 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.747 -10.273 -6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.845 -9.585 -8.958 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.604 -10.819 -9.063 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.381 -11.224 -8.473 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.119 -12.440 -8.462 1.00 0.00 H new ATOM 282 N PRO A 22 -6.067 -8.554 -4.460 1.00 0.00 N ATOM 283 CA PRO A 22 -6.836 -7.486 -3.844 1.00 0.00 C ATOM 284 C PRO A 22 -6.928 -6.272 -4.771 1.00 0.00 C ATOM 285 O PRO A 22 -5.915 -5.799 -5.283 1.00 0.00 O ATOM 286 CB PRO A 22 -6.115 -7.185 -2.540 1.00 0.00 C ATOM 287 CG PRO A 22 -4.718 -7.765 -2.692 1.00 0.00 C ATOM 288 CD PRO A 22 -4.726 -8.690 -3.898 1.00 0.00 C ATOM 0 HA PRO A 22 -7.872 -7.768 -3.655 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.074 -6.112 -2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.635 -7.635 -1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.987 -6.968 -2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.432 -8.312 -1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.962 -8.404 -4.621 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.521 -9.720 -3.608 1.00 0.00 H new ATOM 296 N GLY A 23 -8.153 -5.803 -4.958 1.00 0.00 N ATOM 297 CA GLY A 23 -8.391 -4.653 -5.814 1.00 0.00 C ATOM 298 C GLY A 23 -8.464 -3.364 -4.993 1.00 0.00 C ATOM 299 O GLY A 23 -8.195 -3.372 -3.792 1.00 0.00 O ATOM 0 H GLY A 23 -8.991 -6.198 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.593 -4.573 -6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.322 -4.791 -6.364 1.00 0.00 H new ATOM 303 N ASN A 24 -8.829 -2.287 -5.673 1.00 0.00 N ATOM 304 CA ASN A 24 -8.941 -0.993 -5.021 1.00 0.00 C ATOM 305 C ASN A 24 -7.653 -0.702 -4.250 1.00 0.00 C ATOM 306 O ASN A 24 -7.665 0.044 -3.272 1.00 0.00 O ATOM 307 CB ASN A 24 -10.102 -0.977 -4.025 1.00 0.00 C ATOM 308 CG ASN A 24 -10.827 0.371 -4.049 1.00 0.00 C ATOM 309 OD1 ASN A 24 -10.949 1.021 -5.074 1.00 0.00 O ATOM 310 ND2 ASN A 24 -11.298 0.752 -2.865 1.00 0.00 N ATOM 0 H ASN A 24 -9.051 -2.284 -6.669 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.116 -0.242 -5.791 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.804 -1.776 -4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.727 -1.174 -3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.797 1.637 -2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.161 0.159 -2.047 1.00 0.00 H new ATOM 317 N VAL A 25 -6.570 -1.305 -4.720 1.00 0.00 N ATOM 318 CA VAL A 25 -5.276 -1.119 -4.086 1.00 0.00 C ATOM 319 C VAL A 25 -4.830 0.334 -4.263 1.00 0.00 C ATOM 320 O VAL A 25 -4.188 0.674 -5.255 1.00 0.00 O ATOM 321 CB VAL A 25 -4.270 -2.126 -4.648 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.923 -2.014 -3.930 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.817 -3.552 -4.567 1.00 0.00 C ATOM 0 H VAL A 25 -6.563 -1.922 -5.532 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.344 -1.310 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.110 -1.888 -5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.226 -2.740 -4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.523 -1.009 -4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.060 -2.213 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.082 -4.247 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.020 -3.805 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.739 -3.621 -5.144 1.00 0.00 H new ATOM 333 N VAL A 26 -5.188 1.152 -3.284 1.00 0.00 N ATOM 334 CA VAL A 26 -4.833 2.560 -3.318 1.00 0.00 C ATOM 335 C VAL A 26 -3.729 2.829 -2.294 1.00 0.00 C ATOM 336 O VAL A 26 -3.419 1.969 -1.470 1.00 0.00 O ATOM 337 CB VAL A 26 -6.079 3.420 -3.094 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.169 3.082 -4.113 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.599 3.268 -1.663 1.00 0.00 C ATOM 0 H VAL A 26 -5.720 0.866 -2.462 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.440 2.830 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.797 4.463 -3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.043 3.707 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.795 3.265 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.447 2.033 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.485 3.889 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.856 2.225 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.827 3.581 -0.960 1.00 0.00 H new ATOM 349 N TRP A 27 -3.166 4.025 -2.377 1.00 0.00 N ATOM 350 CA TRP A 27 -2.103 4.418 -1.468 1.00 0.00 C ATOM 351 C TRP A 27 -2.215 5.925 -1.232 1.00 0.00 C ATOM 352 O TRP A 27 -3.082 6.584 -1.804 1.00 0.00 O ATOM 353 CB TRP A 27 -0.735 3.997 -2.009 1.00 0.00 C ATOM 354 CG TRP A 27 -0.425 4.540 -3.405 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.783 4.024 -4.589 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.327 5.732 -3.717 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.319 4.794 -5.637 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.377 5.865 -5.089 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.944 6.666 -2.867 1.00 0.00 C ATOM 360 CZ2 TRP A 27 1.034 6.920 -5.734 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.596 7.715 -3.526 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.656 7.864 -4.907 1.00 0.00 C ATOM 0 H TRP A 27 -3.426 4.736 -3.061 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.206 3.908 -0.510 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.037 4.336 -1.319 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.685 2.908 -2.034 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.362 3.120 -4.708 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.461 4.611 -6.630 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.917 6.581 -1.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.060 7.001 -6.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.087 8.461 -2.919 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.180 8.703 -5.340 1.00 0.00 H new ATOM 373 N ASN A 28 -1.326 6.428 -0.388 1.00 0.00 N ATOM 374 CA ASN A 28 -1.314 7.845 -0.070 1.00 0.00 C ATOM 375 C ASN A 28 -0.055 8.172 0.736 1.00 0.00 C ATOM 376 O ASN A 28 0.602 7.273 1.259 1.00 0.00 O ATOM 377 CB ASN A 28 -2.530 8.230 0.775 1.00 0.00 C ATOM 378 CG ASN A 28 -3.728 8.575 -0.113 1.00 0.00 C ATOM 379 OD1 ASN A 28 -3.610 9.242 -1.127 1.00 0.00 O ATOM 380 ND2 ASN A 28 -4.884 8.084 0.324 1.00 0.00 N ATOM 0 H ASN A 28 -0.609 5.879 0.085 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.335 8.401 -1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.791 7.407 1.440 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.283 9.083 1.406 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.742 8.258 -0.199 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.912 7.533 1.182 1.00 0.00 H new ATOM 387 N ALA A 29 0.242 9.461 0.812 1.00 0.00 N ATOM 388 CA ALA A 29 1.410 9.917 1.546 1.00 0.00 C ATOM 389 C ALA A 29 1.031 11.132 2.395 1.00 0.00 C ATOM 390 O ALA A 29 0.884 12.237 1.874 1.00 0.00 O ATOM 391 CB ALA A 29 2.543 10.223 0.564 1.00 0.00 C ATOM 0 H ALA A 29 -0.306 10.204 0.378 1.00 0.00 H new ATOM 0 HA ALA A 29 1.766 9.140 2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.419 10.565 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.794 9.321 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.223 11.001 -0.129 1.00 0.00 H new ATOM 397 N THR A 30 0.884 10.887 3.689 1.00 0.00 N ATOM 398 CA THR A 30 0.525 11.947 4.615 1.00 0.00 C ATOM 399 C THR A 30 1.059 11.636 6.015 1.00 0.00 C ATOM 400 O THR A 30 1.427 10.499 6.304 1.00 0.00 O ATOM 401 CB THR A 30 -0.994 12.121 4.569 1.00 0.00 C ATOM 402 OG1 THR A 30 -1.277 12.996 5.658 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.741 10.833 4.923 1.00 0.00 C ATOM 0 H THR A 30 1.007 9.970 4.118 1.00 0.00 H new ATOM 0 HA THR A 30 0.984 12.894 4.329 1.00 0.00 H new ATOM 0 HB THR A 30 -1.291 12.452 3.574 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.242 13.164 5.701 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.815 11.011 4.876 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.471 10.050 4.215 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.469 10.520 5.931 1.00 0.00 H new ATOM 411 N ASP A 31 1.085 12.668 6.846 1.00 0.00 N ATOM 412 CA ASP A 31 1.568 12.519 8.208 1.00 0.00 C ATOM 413 C ASP A 31 2.991 11.957 8.182 1.00 0.00 C ATOM 414 O ASP A 31 3.448 11.369 9.160 1.00 0.00 O ATOM 415 CB ASP A 31 0.691 11.547 9.001 1.00 0.00 C ATOM 416 CG ASP A 31 -0.810 11.663 8.730 1.00 0.00 C ATOM 417 OD1 ASP A 31 -1.368 12.727 9.074 1.00 0.00 O ATOM 418 OD2 ASP A 31 -1.366 10.685 8.185 1.00 0.00 O ATOM 0 H ASP A 31 0.779 13.610 6.602 1.00 0.00 H new ATOM 0 HA ASP A 31 1.541 13.499 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.008 10.529 8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.866 11.708 10.065 1.00 0.00 H new ATOM 423 N THR A 32 3.652 12.160 7.051 1.00 0.00 N ATOM 424 CA THR A 32 5.014 11.681 6.884 1.00 0.00 C ATOM 425 C THR A 32 5.044 10.151 6.872 1.00 0.00 C ATOM 426 O THR A 32 5.972 9.541 7.400 1.00 0.00 O ATOM 427 CB THR A 32 5.870 12.297 7.993 1.00 0.00 C ATOM 428 OG1 THR A 32 5.821 11.335 9.044 1.00 0.00 O ATOM 429 CG2 THR A 32 5.231 13.547 8.601 1.00 0.00 C ATOM 0 H THR A 32 3.270 12.649 6.242 1.00 0.00 H new ATOM 0 HA THR A 32 5.427 11.990 5.924 1.00 0.00 H new ATOM 0 HB THR A 32 6.853 12.550 7.595 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.934 11.351 9.461 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.879 13.944 9.382 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.095 14.300 7.825 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.263 13.289 9.030 1.00 0.00 H new ATOM 437 N LYS A 33 4.017 9.576 6.263 1.00 0.00 N ATOM 438 CA LYS A 33 3.914 8.130 6.175 1.00 0.00 C ATOM 439 C LYS A 33 3.123 7.755 4.920 1.00 0.00 C ATOM 440 O LYS A 33 2.586 8.625 4.237 1.00 0.00 O ATOM 441 CB LYS A 33 3.328 7.554 7.466 1.00 0.00 C ATOM 442 CG LYS A 33 1.843 7.227 7.296 1.00 0.00 C ATOM 443 CD LYS A 33 1.252 6.671 8.593 1.00 0.00 C ATOM 444 CE LYS A 33 0.445 7.742 9.331 1.00 0.00 C ATOM 445 NZ LYS A 33 1.257 8.354 10.406 1.00 0.00 N ATOM 0 H LYS A 33 3.249 10.086 5.826 1.00 0.00 H new ATOM 0 HA LYS A 33 4.903 7.683 6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.873 6.652 7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.456 8.269 8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.301 8.125 7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.717 6.500 6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.612 5.818 8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.054 6.307 9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.122 8.511 8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.456 7.299 9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.694 9.078 10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.544 7.620 11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.104 8.794 9.993 1.00 0.00 H new ATOM 459 N VAL A 34 3.076 6.457 4.654 1.00 0.00 N ATOM 460 CA VAL A 34 2.359 5.957 3.494 1.00 0.00 C ATOM 461 C VAL A 34 1.177 5.104 3.959 1.00 0.00 C ATOM 462 O VAL A 34 1.367 4.062 4.585 1.00 0.00 O ATOM 463 CB VAL A 34 3.318 5.198 2.574 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.551 4.431 1.495 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.343 6.147 1.948 1.00 0.00 C ATOM 0 H VAL A 34 3.523 5.737 5.222 1.00 0.00 H new ATOM 0 HA VAL A 34 1.954 6.783 2.910 1.00 0.00 H new ATOM 0 HB VAL A 34 3.860 4.472 3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.256 3.901 0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.879 3.714 1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.971 5.131 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.012 5.583 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.825 6.907 1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.922 6.628 2.736 1.00 0.00 H new ATOM 475 N LEU A 35 -0.017 5.577 3.634 1.00 0.00 N ATOM 476 CA LEU A 35 -1.230 4.871 4.010 1.00 0.00 C ATOM 477 C LEU A 35 -1.700 4.012 2.835 1.00 0.00 C ATOM 478 O LEU A 35 -2.131 4.538 1.810 1.00 0.00 O ATOM 479 CB LEU A 35 -2.288 5.855 4.515 1.00 0.00 C ATOM 480 CG LEU A 35 -1.820 6.861 5.568 1.00 0.00 C ATOM 481 CD1 LEU A 35 -1.300 6.147 6.817 1.00 0.00 C ATOM 482 CD2 LEU A 35 -0.782 7.822 4.985 1.00 0.00 C ATOM 0 H LEU A 35 -0.170 6.441 3.114 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.035 4.194 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.678 6.408 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.118 5.284 4.931 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.679 7.459 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.974 6.886 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.096 5.538 7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.459 5.508 6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.466 8.527 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.081 7.256 4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.221 8.369 4.150 1.00 0.00 H new ATOM 494 N LEU A 36 -1.601 2.704 3.023 1.00 0.00 N ATOM 495 CA LEU A 36 -2.011 1.767 1.991 1.00 0.00 C ATOM 496 C LEU A 36 -3.431 1.279 2.286 1.00 0.00 C ATOM 497 O LEU A 36 -3.807 1.116 3.446 1.00 0.00 O ATOM 498 CB LEU A 36 -0.988 0.637 1.857 1.00 0.00 C ATOM 499 CG LEU A 36 0.438 1.062 1.503 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.318 -0.156 1.214 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.441 2.059 0.342 1.00 0.00 C ATOM 0 H LEU A 36 -1.243 2.271 3.874 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.038 2.259 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.959 0.087 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.340 -0.056 1.093 1.00 0.00 H new ATOM 0 HG LEU A 36 0.866 1.571 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.326 0.175 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.353 -0.797 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.902 -0.715 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.467 2.345 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.014 1.598 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.128 2.945 0.622 1.00 0.00 H new ATOM 513 N ASN A 37 -4.181 1.059 1.216 1.00 0.00 N ATOM 514 CA ASN A 37 -5.551 0.593 1.346 1.00 0.00 C ATOM 515 C ASN A 37 -5.931 -0.212 0.102 1.00 0.00 C ATOM 516 O ASN A 37 -5.727 0.242 -1.023 1.00 0.00 O ATOM 517 CB ASN A 37 -6.524 1.769 1.463 1.00 0.00 C ATOM 518 CG ASN A 37 -5.908 2.911 2.274 1.00 0.00 C ATOM 519 OD1 ASN A 37 -4.972 3.594 1.622 1.00 0.00 O flip ATOM 520 ND2 ASN A 37 -6.260 3.156 3.416 1.00 0.00 N flip ATOM 0 H ASN A 37 -3.866 1.195 0.255 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.615 -0.019 2.245 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.789 2.127 0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.447 1.437 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.985 2.592 3.858 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.829 3.925 3.929 1.00 0.00 H new ATOM 527 N TRP A 38 -6.478 -1.395 0.346 1.00 0.00 N ATOM 528 CA TRP A 38 -6.888 -2.268 -0.740 1.00 0.00 C ATOM 529 C TRP A 38 -8.121 -3.048 -0.280 1.00 0.00 C ATOM 530 O TRP A 38 -8.318 -3.255 0.916 1.00 0.00 O ATOM 531 CB TRP A 38 -5.737 -3.175 -1.180 1.00 0.00 C ATOM 532 CG TRP A 38 -5.210 -4.092 -0.074 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.634 -5.322 0.249 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.138 -3.801 0.847 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.916 -5.842 1.306 1.00 0.00 N ATOM 536 CE2 TRP A 38 -3.977 -4.888 1.682 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.331 -2.656 0.971 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.017 -4.938 2.699 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.375 -2.722 1.992 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.201 -3.809 2.840 1.00 0.00 C ATOM 0 H TRP A 38 -6.646 -1.768 1.280 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.153 -1.686 -1.623 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.070 -3.788 -2.018 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.918 -2.555 -1.545 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.436 -5.840 -0.255 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.050 -6.758 1.733 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.440 -1.794 0.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.911 -5.801 3.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.728 -1.869 2.130 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.439 -3.783 3.605 1.00 0.00 H new ATOM 551 N GLU A 39 -8.920 -3.458 -1.254 1.00 0.00 N ATOM 552 CA GLU A 39 -10.128 -4.211 -0.964 1.00 0.00 C ATOM 553 C GLU A 39 -9.776 -5.558 -0.330 1.00 0.00 C ATOM 554 O GLU A 39 -8.607 -5.835 -0.063 1.00 0.00 O ATOM 555 CB GLU A 39 -10.971 -4.403 -2.226 1.00 0.00 C ATOM 556 CG GLU A 39 -12.294 -3.641 -2.124 1.00 0.00 C ATOM 557 CD GLU A 39 -13.455 -4.594 -1.835 1.00 0.00 C ATOM 558 OE1 GLU A 39 -14.040 -5.092 -2.822 1.00 0.00 O ATOM 559 OE2 GLU A 39 -13.732 -4.804 -0.634 1.00 0.00 O ATOM 0 H GLU A 39 -8.754 -3.283 -2.245 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.724 -3.641 -0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.414 -4.056 -3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.169 -5.464 -2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.227 -2.893 -1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.482 -3.105 -3.054 1.00 0.00 H new ATOM 566 N GLN A 40 -10.807 -6.359 -0.106 1.00 0.00 N ATOM 567 CA GLN A 40 -10.621 -7.670 0.492 1.00 0.00 C ATOM 568 C GLN A 40 -10.724 -8.760 -0.577 1.00 0.00 C ATOM 569 O GLN A 40 -11.391 -8.576 -1.594 1.00 0.00 O ATOM 570 CB GLN A 40 -11.629 -7.908 1.617 1.00 0.00 C ATOM 571 CG GLN A 40 -13.064 -7.773 1.105 1.00 0.00 C ATOM 572 CD GLN A 40 -14.073 -8.160 2.189 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.724 -8.454 3.320 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.338 -8.145 1.781 1.00 0.00 N ATOM 0 H GLN A 40 -11.775 -6.125 -0.328 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.623 -7.710 0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.481 -8.903 2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.457 -7.193 2.421 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.245 -6.747 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.203 -8.409 0.230 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.561 -7.889 0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.086 -8.389 2.430 1.00 0.00 H new ATOM 583 N VAL A 41 -10.055 -9.872 -0.309 1.00 0.00 N ATOM 584 CA VAL A 41 -10.063 -10.992 -1.235 1.00 0.00 C ATOM 585 C VAL A 41 -10.868 -12.143 -0.629 1.00 0.00 C ATOM 586 O VAL A 41 -10.458 -12.736 0.367 1.00 0.00 O ATOM 587 CB VAL A 41 -8.628 -11.388 -1.590 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.556 -12.853 -2.026 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.056 -10.466 -2.669 1.00 0.00 C ATOM 0 H VAL A 41 -9.504 -10.021 0.536 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.549 -10.712 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.017 -11.274 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.526 -13.109 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.904 -13.492 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.187 -13.003 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.035 -10.769 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.669 -10.533 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.055 -9.438 -2.306 1.00 0.00 H new ATOM 599 N LYS A 42 -12.001 -12.425 -1.256 1.00 0.00 N ATOM 600 CA LYS A 42 -12.868 -13.494 -0.792 1.00 0.00 C ATOM 601 C LYS A 42 -12.537 -14.780 -1.552 1.00 0.00 C ATOM 602 O LYS A 42 -12.774 -14.871 -2.756 1.00 0.00 O ATOM 603 CB LYS A 42 -14.336 -13.078 -0.897 1.00 0.00 C ATOM 604 CG LYS A 42 -14.704 -12.081 0.205 1.00 0.00 C ATOM 605 CD LYS A 42 -15.109 -12.808 1.489 1.00 0.00 C ATOM 606 CE LYS A 42 -16.511 -13.406 1.361 1.00 0.00 C ATOM 607 NZ LYS A 42 -16.439 -14.882 1.276 1.00 0.00 N ATOM 0 H LYS A 42 -12.338 -11.931 -2.082 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.693 -13.694 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.522 -12.631 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.974 -13.959 -0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.856 -11.426 0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.524 -11.447 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.391 -13.599 1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.081 -12.114 2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.117 -13.114 2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.003 -13.008 0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.196 -15.231 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.516 -15.163 0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.554 -15.290 2.225 1.00 0.00 H new ATOM 621 N ALA A 43 -11.995 -15.741 -0.819 1.00 0.00 N ATOM 622 CA ALA A 43 -11.630 -17.017 -1.409 1.00 0.00 C ATOM 623 C ALA A 43 -12.797 -17.538 -2.250 1.00 0.00 C ATOM 624 O ALA A 43 -13.955 -17.230 -1.970 1.00 0.00 O ATOM 625 CB ALA A 43 -11.226 -17.994 -0.304 1.00 0.00 C ATOM 0 H ALA A 43 -11.800 -15.661 0.179 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.772 -16.902 -2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.952 -18.951 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.374 -17.591 0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.063 -18.137 0.379 1.00 0.00 H new ATOM 677 N GLU A 47 -11.694 -22.864 -1.877 1.00 0.00 N ATOM 678 CA GLU A 47 -10.515 -22.045 -1.650 1.00 0.00 C ATOM 679 C GLU A 47 -10.419 -21.650 -0.175 1.00 0.00 C ATOM 680 O GLU A 47 -11.410 -21.705 0.552 1.00 0.00 O ATOM 681 CB GLU A 47 -10.526 -20.808 -2.549 1.00 0.00 C ATOM 682 CG GLU A 47 -10.503 -21.203 -4.027 1.00 0.00 C ATOM 683 CD GLU A 47 -9.172 -20.820 -4.677 1.00 0.00 C ATOM 684 OE1 GLU A 47 -8.129 -21.162 -4.080 1.00 0.00 O ATOM 685 OE2 GLU A 47 -9.228 -20.192 -5.757 1.00 0.00 O ATOM 0 HA GLU A 47 -9.633 -22.632 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.415 -20.212 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.663 -20.182 -2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.662 -22.277 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.322 -20.711 -4.551 1.00 0.00 H new ATOM 692 N SER A 48 -9.217 -21.262 0.223 1.00 0.00 N ATOM 693 CA SER A 48 -8.978 -20.858 1.599 1.00 0.00 C ATOM 694 C SER A 48 -9.141 -19.342 1.735 1.00 0.00 C ATOM 695 O SER A 48 -8.474 -18.578 1.039 1.00 0.00 O ATOM 696 CB SER A 48 -7.586 -21.286 2.065 1.00 0.00 C ATOM 697 OG SER A 48 -7.625 -22.487 2.831 1.00 0.00 O ATOM 0 H SER A 48 -8.397 -21.219 -0.383 1.00 0.00 H new ATOM 0 HA SER A 48 -9.712 -21.355 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.942 -21.430 1.198 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.143 -20.489 2.662 1.00 0.00 H new ATOM 0 HG SER A 48 -6.716 -22.728 3.108 1.00 0.00 H new ATOM 703 N GLU A 49 -10.032 -18.954 2.635 1.00 0.00 N ATOM 704 CA GLU A 49 -10.291 -17.544 2.871 1.00 0.00 C ATOM 705 C GLU A 49 -8.987 -16.812 3.197 1.00 0.00 C ATOM 706 O GLU A 49 -7.984 -17.442 3.527 1.00 0.00 O ATOM 707 CB GLU A 49 -11.320 -17.355 3.988 1.00 0.00 C ATOM 708 CG GLU A 49 -10.682 -17.563 5.363 1.00 0.00 C ATOM 709 CD GLU A 49 -11.674 -18.201 6.337 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.750 -17.594 6.530 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.335 -19.281 6.866 1.00 0.00 O ATOM 0 H GLU A 49 -10.584 -19.591 3.210 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.709 -17.114 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.746 -16.354 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.141 -18.059 3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.802 -18.198 5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.343 -16.606 5.759 1.00 0.00 H new ATOM 718 N VAL A 50 -9.045 -15.492 3.094 1.00 0.00 N ATOM 719 CA VAL A 50 -7.881 -14.668 3.373 1.00 0.00 C ATOM 720 C VAL A 50 -7.867 -14.302 4.859 1.00 0.00 C ATOM 721 O VAL A 50 -8.770 -13.622 5.343 1.00 0.00 O ATOM 722 CB VAL A 50 -7.874 -13.444 2.455 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.801 -12.442 2.886 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.685 -13.856 0.994 1.00 0.00 C ATOM 0 H VAL A 50 -9.880 -14.973 2.821 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.963 -15.218 3.164 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.844 -12.954 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.817 -11.581 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.999 -12.113 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.821 -12.917 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.684 -12.967 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.736 -14.381 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.500 -14.514 0.693 1.00 0.00 H new ATOM 734 N THR A 51 -6.830 -14.768 5.540 1.00 0.00 N ATOM 735 CA THR A 51 -6.686 -14.497 6.960 1.00 0.00 C ATOM 736 C THR A 51 -5.754 -13.305 7.184 1.00 0.00 C ATOM 737 O THR A 51 -5.685 -12.765 8.288 1.00 0.00 O ATOM 738 CB THR A 51 -6.203 -15.781 7.639 1.00 0.00 C ATOM 739 OG1 THR A 51 -4.973 -16.078 6.985 1.00 0.00 O ATOM 740 CG2 THR A 51 -7.095 -16.983 7.321 1.00 0.00 C ATOM 0 H THR A 51 -6.082 -15.331 5.135 1.00 0.00 H new ATOM 0 HA THR A 51 -7.639 -14.213 7.407 1.00 0.00 H new ATOM 0 HB THR A 51 -6.169 -15.630 8.718 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.590 -16.896 7.365 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.708 -17.867 7.827 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.110 -16.784 7.664 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.103 -17.155 6.245 1.00 0.00 H new ATOM 748 N GLY A 52 -5.061 -12.928 6.120 1.00 0.00 N ATOM 749 CA GLY A 52 -4.137 -11.808 6.186 1.00 0.00 C ATOM 750 C GLY A 52 -3.599 -11.458 4.797 1.00 0.00 C ATOM 751 O GLY A 52 -4.074 -11.986 3.792 1.00 0.00 O ATOM 0 H GLY A 52 -5.121 -13.378 5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.641 -10.941 6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.308 -12.055 6.849 1.00 0.00 H new ATOM 755 N TYR A 53 -2.616 -10.570 4.785 1.00 0.00 N ATOM 756 CA TYR A 53 -2.009 -10.143 3.536 1.00 0.00 C ATOM 757 C TYR A 53 -0.523 -9.831 3.727 1.00 0.00 C ATOM 758 O TYR A 53 -0.044 -9.743 4.856 1.00 0.00 O ATOM 759 CB TYR A 53 -2.739 -8.862 3.128 1.00 0.00 C ATOM 760 CG TYR A 53 -4.183 -9.085 2.674 1.00 0.00 C ATOM 761 CD1 TYR A 53 -5.196 -9.158 3.608 1.00 0.00 C ATOM 762 CD2 TYR A 53 -4.471 -9.215 1.331 1.00 0.00 C ATOM 763 CE1 TYR A 53 -6.555 -9.368 3.180 1.00 0.00 C ATOM 764 CE2 TYR A 53 -5.830 -9.425 0.903 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.805 -9.491 1.849 1.00 0.00 C ATOM 766 OH TYR A 53 -8.088 -9.690 1.445 1.00 0.00 O ATOM 0 H TYR A 53 -2.225 -10.134 5.620 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.089 -10.927 2.783 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.737 -8.171 3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.185 -8.382 2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.970 -9.058 4.659 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.677 -9.159 0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.358 -9.426 3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.069 -9.528 -0.145 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.699 -9.482 2.182 1.00 0.00 H new ATOM 776 N LYS A 54 0.164 -9.673 2.605 1.00 0.00 N ATOM 777 CA LYS A 54 1.585 -9.372 2.635 1.00 0.00 C ATOM 778 C LYS A 54 1.857 -8.126 1.790 1.00 0.00 C ATOM 779 O LYS A 54 1.629 -8.129 0.582 1.00 0.00 O ATOM 780 CB LYS A 54 2.400 -10.595 2.207 1.00 0.00 C ATOM 781 CG LYS A 54 2.447 -11.641 3.322 1.00 0.00 C ATOM 782 CD LYS A 54 3.541 -12.677 3.057 1.00 0.00 C ATOM 783 CE LYS A 54 3.769 -13.561 4.285 1.00 0.00 C ATOM 784 NZ LYS A 54 5.210 -13.849 4.456 1.00 0.00 N ATOM 0 H LYS A 54 -0.237 -9.748 1.670 1.00 0.00 H new ATOM 0 HA LYS A 54 1.904 -9.143 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.961 -11.033 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.414 -10.288 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.630 -11.150 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.481 -12.139 3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.261 -13.297 2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.469 -12.171 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.383 -13.064 5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.216 -14.494 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.332 -14.829 4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.700 -13.722 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.613 -13.199 5.160 1.00 0.00 H new ATOM 798 N VAL A 55 2.339 -7.090 2.460 1.00 0.00 N ATOM 799 CA VAL A 55 2.644 -5.839 1.787 1.00 0.00 C ATOM 800 C VAL A 55 4.111 -5.843 1.353 1.00 0.00 C ATOM 801 O VAL A 55 5.002 -5.586 2.161 1.00 0.00 O ATOM 802 CB VAL A 55 2.292 -4.657 2.692 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.470 -3.329 1.955 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.871 -4.793 3.242 1.00 0.00 C ATOM 0 H VAL A 55 2.526 -7.091 3.463 1.00 0.00 H new ATOM 0 HA VAL A 55 2.038 -5.733 0.887 1.00 0.00 H new ATOM 0 HB VAL A 55 2.981 -4.665 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.213 -2.506 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.507 -3.227 1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.817 -3.307 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.645 -3.940 3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.162 -4.823 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.792 -5.713 3.822 1.00 0.00 H new ATOM 814 N PHE A 56 4.317 -6.137 0.077 1.00 0.00 N ATOM 815 CA PHE A 56 5.661 -6.178 -0.474 1.00 0.00 C ATOM 816 C PHE A 56 6.077 -4.805 -1.007 1.00 0.00 C ATOM 817 O PHE A 56 5.680 -4.415 -2.104 1.00 0.00 O ATOM 818 CB PHE A 56 5.639 -7.176 -1.633 1.00 0.00 C ATOM 819 CG PHE A 56 5.701 -8.641 -1.194 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.565 -9.286 -0.816 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.892 -9.297 -1.182 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.622 -10.645 -0.409 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.949 -10.656 -0.774 1.00 0.00 C ATOM 824 CZ PHE A 56 5.813 -11.301 -0.396 1.00 0.00 C ATOM 0 H PHE A 56 3.576 -6.349 -0.591 1.00 0.00 H new ATOM 0 HA PHE A 56 6.372 -6.469 0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.731 -7.020 -2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.481 -6.969 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.619 -8.764 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.794 -8.785 -1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.720 -11.158 -0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.895 -11.177 -0.764 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.857 -12.334 -0.085 1.00 0.00 H new ATOM 834 N TYR A 57 6.870 -4.110 -0.205 1.00 0.00 N ATOM 835 CA TYR A 57 7.344 -2.789 -0.582 1.00 0.00 C ATOM 836 C TYR A 57 8.843 -2.811 -0.888 1.00 0.00 C ATOM 837 O TYR A 57 9.622 -3.411 -0.149 1.00 0.00 O ATOM 838 CB TYR A 57 7.096 -1.890 0.631 1.00 0.00 C ATOM 839 CG TYR A 57 7.572 -2.488 1.956 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.730 -3.300 2.689 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.843 -2.215 2.419 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.178 -3.863 3.936 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.291 -2.778 3.667 1.00 0.00 C ATOM 844 CZ TYR A 57 8.437 -3.574 4.364 1.00 0.00 C ATOM 845 OH TYR A 57 8.860 -4.105 5.542 1.00 0.00 O ATOM 0 H TYR A 57 7.196 -4.437 0.704 1.00 0.00 H new ATOM 0 HA TYR A 57 6.829 -2.437 -1.476 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.600 -0.936 0.473 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.029 -1.679 0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.735 -3.513 2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.502 -1.579 1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.529 -4.500 4.519 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.283 -2.572 4.041 1.00 0.00 H new ATOM 0 HH TYR A 57 9.828 -4.255 5.504 1.00 0.00 H new ATOM 855 N ARG A 58 9.202 -2.150 -1.978 1.00 0.00 N ATOM 856 CA ARG A 58 10.593 -2.086 -2.391 1.00 0.00 C ATOM 857 C ARG A 58 10.835 -0.844 -3.252 1.00 0.00 C ATOM 858 O ARG A 58 9.919 -0.353 -3.910 1.00 0.00 O ATOM 859 CB ARG A 58 10.991 -3.333 -3.183 1.00 0.00 C ATOM 860 CG ARG A 58 9.872 -3.757 -4.136 1.00 0.00 C ATOM 861 CD ARG A 58 10.435 -4.519 -5.337 1.00 0.00 C ATOM 862 NE ARG A 58 10.650 -3.591 -6.470 1.00 0.00 N ATOM 863 CZ ARG A 58 10.957 -3.983 -7.714 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.088 -5.287 -7.993 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.134 -3.070 -8.679 1.00 0.00 N ATOM 0 H ARG A 58 8.553 -1.654 -2.588 1.00 0.00 H new ATOM 0 HA ARG A 58 11.204 -2.032 -1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.900 -3.133 -3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.217 -4.148 -2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.156 -4.385 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.330 -2.876 -4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.375 -4.999 -5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.746 -5.311 -5.631 1.00 0.00 H new ATOM 0 HE ARG A 58 10.559 -2.591 -6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.954 -5.982 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.322 -5.585 -8.940 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.035 -2.077 -8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.368 -3.368 -9.626 1.00 0.00 H new ATOM 879 N THR A 59 12.073 -0.373 -3.220 1.00 0.00 N ATOM 880 CA THR A 59 12.447 0.802 -3.990 1.00 0.00 C ATOM 881 C THR A 59 12.350 0.510 -5.488 1.00 0.00 C ATOM 882 O THR A 59 12.191 -0.641 -5.891 1.00 0.00 O ATOM 883 CB THR A 59 13.845 1.234 -3.543 1.00 0.00 C ATOM 884 OG1 THR A 59 13.711 1.450 -2.141 1.00 0.00 O ATOM 885 CG2 THR A 59 14.237 2.606 -4.096 1.00 0.00 C ATOM 0 H THR A 59 12.830 -0.783 -2.673 1.00 0.00 H new ATOM 0 HA THR A 59 11.762 1.630 -3.808 1.00 0.00 H new ATOM 0 HB THR A 59 14.575 0.491 -3.864 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.573 1.732 -1.770 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.237 2.866 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.227 2.576 -5.186 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.526 3.355 -3.747 1.00 0.00 H new ATOM 893 N SER A 60 12.450 1.573 -6.273 1.00 0.00 N ATOM 894 CA SER A 60 12.376 1.445 -7.719 1.00 0.00 C ATOM 895 C SER A 60 13.228 0.262 -8.184 1.00 0.00 C ATOM 896 O SER A 60 12.877 -0.419 -9.146 1.00 0.00 O ATOM 897 CB SER A 60 12.833 2.732 -8.409 1.00 0.00 C ATOM 898 OG SER A 60 14.161 2.625 -8.913 1.00 0.00 O ATOM 0 H SER A 60 12.582 2.526 -5.935 1.00 0.00 H new ATOM 0 HA SER A 60 11.337 1.266 -7.994 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.152 2.966 -9.228 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.779 3.561 -7.703 1.00 0.00 H new ATOM 0 HG SER A 60 14.415 3.466 -9.347 1.00 0.00 H new ATOM 960 N VAL A 65 12.851 -7.237 -1.831 1.00 0.00 N ATOM 961 CA VAL A 65 11.664 -6.594 -1.293 1.00 0.00 C ATOM 962 C VAL A 65 11.367 -7.161 0.097 1.00 0.00 C ATOM 963 O VAL A 65 11.697 -8.310 0.386 1.00 0.00 O ATOM 964 CB VAL A 65 10.495 -6.756 -2.267 1.00 0.00 C ATOM 965 CG1 VAL A 65 10.141 -8.232 -2.457 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.277 -5.956 -1.800 1.00 0.00 C ATOM 0 HA VAL A 65 11.829 -5.523 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 65 10.806 -6.359 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.307 -8.319 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.004 -8.765 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.859 -8.665 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.461 -6.089 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.964 -6.310 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.537 -4.899 -1.739 1.00 0.00 H new ATOM 976 N GLN A 66 10.748 -6.328 0.921 1.00 0.00 N ATOM 977 CA GLN A 66 10.404 -6.732 2.273 1.00 0.00 C ATOM 978 C GLN A 66 8.929 -7.132 2.348 1.00 0.00 C ATOM 979 O GLN A 66 8.166 -6.882 1.416 1.00 0.00 O ATOM 980 CB GLN A 66 10.722 -5.620 3.275 1.00 0.00 C ATOM 981 CG GLN A 66 12.189 -5.675 3.708 1.00 0.00 C ATOM 982 CD GLN A 66 12.311 -5.678 5.233 1.00 0.00 C ATOM 983 OE1 GLN A 66 11.372 -5.391 5.957 1.00 0.00 O ATOM 984 NE2 GLN A 66 13.517 -6.017 5.678 1.00 0.00 N ATOM 0 H GLN A 66 10.476 -5.375 0.678 1.00 0.00 H new ATOM 0 HA GLN A 66 11.010 -7.599 2.538 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.507 -4.650 2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.077 -5.717 4.149 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.659 -6.570 3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.725 -4.819 3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.259 -6.246 5.017 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.700 -6.048 6.681 1.00 0.00 H new ATOM 993 N VAL A 67 8.572 -7.747 3.466 1.00 0.00 N ATOM 994 CA VAL A 67 7.202 -8.184 3.675 1.00 0.00 C ATOM 995 C VAL A 67 6.683 -7.608 4.994 1.00 0.00 C ATOM 996 O VAL A 67 7.444 -7.444 5.946 1.00 0.00 O ATOM 997 CB VAL A 67 7.125 -9.711 3.618 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.783 -10.213 4.155 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.371 -10.219 2.196 1.00 0.00 C ATOM 0 H VAL A 67 9.208 -7.953 4.237 1.00 0.00 H new ATOM 0 HA VAL A 67 6.556 -7.810 2.880 1.00 0.00 H new ATOM 0 HB VAL A 67 7.912 -10.110 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.755 -11.301 4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.664 -9.896 5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.973 -9.800 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.311 -11.307 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.617 -9.806 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.361 -9.906 1.864 1.00 0.00 H new ATOM 1009 N LEU A 68 5.390 -7.318 5.009 1.00 0.00 N ATOM 1010 CA LEU A 68 4.761 -6.764 6.195 1.00 0.00 C ATOM 1011 C LEU A 68 3.463 -7.523 6.480 1.00 0.00 C ATOM 1012 O LEU A 68 2.574 -7.579 5.631 1.00 0.00 O ATOM 1013 CB LEU A 68 4.570 -5.254 6.046 1.00 0.00 C ATOM 1014 CG LEU A 68 3.339 -4.661 6.735 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.660 -3.299 7.354 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.153 -4.588 5.772 1.00 0.00 C ATOM 0 H LEU A 68 4.761 -7.457 4.218 1.00 0.00 H new ATOM 0 HA LEU A 68 5.406 -6.895 7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.456 -4.755 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.516 -5.018 4.983 1.00 0.00 H new ATOM 0 HG LEU A 68 3.051 -5.325 7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.768 -2.900 7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.453 -3.413 8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.988 -2.613 6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.292 -4.163 6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.414 -3.959 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.907 -5.590 5.421 1.00 0.00 H new ATOM 1028 N ASN A 69 3.394 -8.087 7.677 1.00 0.00 N ATOM 1029 CA ASN A 69 2.220 -8.840 8.083 1.00 0.00 C ATOM 1030 C ASN A 69 1.097 -7.867 8.447 1.00 0.00 C ATOM 1031 O ASN A 69 1.307 -6.930 9.215 1.00 0.00 O ATOM 1032 CB ASN A 69 2.516 -9.701 9.313 1.00 0.00 C ATOM 1033 CG ASN A 69 3.882 -10.380 9.191 1.00 0.00 C ATOM 1034 OD1 ASN A 69 4.876 -9.935 9.740 1.00 0.00 O ATOM 1035 ND2 ASN A 69 3.875 -11.479 8.442 1.00 0.00 N ATOM 0 H ASN A 69 4.133 -8.037 8.379 1.00 0.00 H new ATOM 0 HA ASN A 69 1.929 -9.484 7.253 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.493 -9.081 10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.739 -10.457 9.428 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.738 -12.004 8.299 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.007 -11.797 8.011 1.00 0.00 H new ATOM 1042 N THR A 70 -0.072 -8.122 7.878 1.00 0.00 N ATOM 1043 CA THR A 70 -1.229 -7.281 8.132 1.00 0.00 C ATOM 1044 C THR A 70 -2.509 -8.118 8.126 1.00 0.00 C ATOM 1045 O THR A 70 -2.743 -8.894 7.201 1.00 0.00 O ATOM 1046 CB THR A 70 -1.233 -6.156 7.095 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.429 -5.434 7.371 1.00 0.00 O ATOM 1048 CG2 THR A 70 -1.431 -6.676 5.669 1.00 0.00 C ATOM 0 H THR A 70 -0.243 -8.900 7.241 1.00 0.00 H new ATOM 0 HA THR A 70 -1.179 -6.829 9.123 1.00 0.00 H new ATOM 0 HB THR A 70 -0.295 -5.605 7.153 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.484 -4.654 6.781 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.426 -5.838 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.623 -7.363 5.417 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.385 -7.198 5.601 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.304 -7.932 9.169 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.555 -8.660 9.296 1.00 0.00 C ATOM 1058 C ASN A 71 -5.707 -7.774 8.817 1.00 0.00 C ATOM 1059 O ASN A 71 -6.871 -8.163 8.903 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.826 -9.042 10.753 1.00 0.00 C ATOM 1061 CG ASN A 71 -3.669 -9.861 11.329 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -2.913 -9.408 12.172 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -3.575 -11.090 10.829 1.00 0.00 N ATOM 0 H ASN A 71 -3.106 -7.287 9.934 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.480 -9.566 8.694 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.970 -8.140 11.348 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.750 -9.617 10.816 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.836 -11.716 11.150 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.242 -11.406 10.125 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.343 -6.600 8.324 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.331 -5.655 7.832 1.00 0.00 C ATOM 1072 C LYS A 72 -6.164 -5.491 6.320 1.00 0.00 C ATOM 1073 O LYS A 72 -5.147 -5.892 5.757 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.247 -4.339 8.608 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.809 -4.049 9.042 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.637 -2.578 9.424 1.00 0.00 C ATOM 1077 CE LYS A 72 -4.250 -2.436 10.898 1.00 0.00 C ATOM 1078 NZ LYS A 72 -4.968 -1.299 11.515 1.00 0.00 N ATOM 0 H LYS A 72 -4.377 -6.281 8.255 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.339 -6.033 8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.615 -3.522 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.892 -4.388 9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.547 -4.682 9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.123 -4.301 8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.870 -2.123 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.565 -2.038 9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.486 -3.356 11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.174 -2.284 10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.694 -1.217 12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.722 -0.421 11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.993 -1.459 11.449 1.00 0.00 H new ATOM 1092 N THR A 73 -7.178 -4.899 5.706 1.00 0.00 N ATOM 1093 CA THR A 73 -7.157 -4.676 4.271 1.00 0.00 C ATOM 1094 C THR A 73 -6.354 -3.417 3.939 1.00 0.00 C ATOM 1095 O THR A 73 -6.322 -2.982 2.789 1.00 0.00 O ATOM 1096 CB THR A 73 -8.605 -4.621 3.779 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.341 -4.180 4.916 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.175 -6.009 3.481 1.00 0.00 C ATOM 0 H THR A 73 -8.020 -4.567 6.177 1.00 0.00 H new ATOM 0 HA THR A 73 -6.653 -5.491 3.752 1.00 0.00 H new ATOM 0 HB THR A 73 -8.660 -4.006 2.881 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.034 -3.287 5.178 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.204 -5.913 3.135 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.576 -6.490 2.708 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.151 -6.614 4.387 1.00 0.00 H new ATOM 1106 N SER A 74 -5.725 -2.867 4.967 1.00 0.00 N ATOM 1107 CA SER A 74 -4.924 -1.666 4.799 1.00 0.00 C ATOM 1108 C SER A 74 -3.538 -1.871 5.413 1.00 0.00 C ATOM 1109 O SER A 74 -3.215 -2.965 5.873 1.00 0.00 O ATOM 1110 CB SER A 74 -5.611 -0.453 5.430 1.00 0.00 C ATOM 1111 OG SER A 74 -6.307 0.330 4.464 1.00 0.00 O ATOM 0 H SER A 74 -5.754 -3.231 5.920 1.00 0.00 H new ATOM 0 HA SER A 74 -4.816 -1.473 3.732 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.310 -0.790 6.195 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.866 0.166 5.930 1.00 0.00 H new ATOM 0 HG SER A 74 -5.664 0.861 3.949 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.756 -0.801 5.401 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.413 -0.850 5.952 1.00 0.00 C ATOM 1119 C ALA A 75 -0.857 0.572 6.055 1.00 0.00 C ATOM 1120 O ALA A 75 -1.438 1.510 5.513 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.538 -1.757 5.084 1.00 0.00 C ATOM 0 H ALA A 75 -3.027 0.105 5.018 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.425 -1.273 6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.470 -1.794 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.960 -2.762 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.500 -1.362 4.069 1.00 0.00 H new ATOM 1127 N GLU A 76 0.263 0.685 6.755 1.00 0.00 N ATOM 1128 CA GLU A 76 0.904 1.977 6.937 1.00 0.00 C ATOM 1129 C GLU A 76 2.425 1.826 6.881 1.00 0.00 C ATOM 1130 O GLU A 76 3.014 1.131 7.707 1.00 0.00 O ATOM 1131 CB GLU A 76 0.465 2.627 8.250 1.00 0.00 C ATOM 1132 CG GLU A 76 -1.024 2.980 8.216 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.621 2.975 9.625 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -1.080 3.718 10.473 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -2.603 2.228 9.823 1.00 0.00 O ATOM 0 H GLU A 76 0.743 -0.096 7.202 1.00 0.00 H new ATOM 0 HA GLU A 76 0.593 2.633 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.663 1.948 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.052 3.528 8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.158 3.963 7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.557 2.265 7.589 1.00 0.00 H new ATOM 1142 N LEU A 77 3.018 2.490 5.900 1.00 0.00 N ATOM 1143 CA LEU A 77 4.460 2.439 5.726 1.00 0.00 C ATOM 1144 C LEU A 77 5.044 3.838 5.929 1.00 0.00 C ATOM 1145 O LEU A 77 4.314 4.781 6.232 1.00 0.00 O ATOM 1146 CB LEU A 77 4.815 1.815 4.374 1.00 0.00 C ATOM 1147 CG LEU A 77 4.343 0.376 4.155 1.00 0.00 C ATOM 1148 CD1 LEU A 77 3.977 0.137 2.689 1.00 0.00 C ATOM 1149 CD2 LEU A 77 5.385 -0.625 4.657 1.00 0.00 C ATOM 0 H LEU A 77 2.526 3.066 5.217 1.00 0.00 H new ATOM 0 HA LEU A 77 4.911 1.792 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.393 2.439 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.898 1.843 4.256 1.00 0.00 H new ATOM 0 HG LEU A 77 3.438 0.220 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.645 -0.893 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.175 0.816 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.850 0.318 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.025 -1.640 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.320 -0.478 4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.553 -0.471 5.723 1.00 0.00 H new ATOM 1161 N VAL A 78 6.354 3.929 5.755 1.00 0.00 N ATOM 1162 CA VAL A 78 7.044 5.198 5.916 1.00 0.00 C ATOM 1163 C VAL A 78 7.047 5.945 4.581 1.00 0.00 C ATOM 1164 O VAL A 78 6.441 5.492 3.611 1.00 0.00 O ATOM 1165 CB VAL A 78 8.450 4.962 6.472 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.396 4.170 7.780 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.336 4.259 5.442 1.00 0.00 C ATOM 0 H VAL A 78 6.956 3.145 5.504 1.00 0.00 H new ATOM 0 HA VAL A 78 6.524 5.826 6.639 1.00 0.00 H new ATOM 0 HB VAL A 78 8.893 5.934 6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.408 4.016 8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.817 4.725 8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.924 3.204 7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.330 4.103 5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.897 3.296 5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.413 4.876 4.547 1.00 0.00 H new ATOM 1177 N LEU A 79 7.737 7.076 4.573 1.00 0.00 N ATOM 1178 CA LEU A 79 7.827 7.890 3.373 1.00 0.00 C ATOM 1179 C LEU A 79 9.102 7.525 2.609 1.00 0.00 C ATOM 1180 O LEU A 79 10.107 7.153 3.213 1.00 0.00 O ATOM 1181 CB LEU A 79 7.724 9.375 3.724 1.00 0.00 C ATOM 1182 CG LEU A 79 8.436 9.813 5.006 1.00 0.00 C ATOM 1183 CD1 LEU A 79 9.900 9.366 4.999 1.00 0.00 C ATOM 1184 CD2 LEU A 79 8.299 11.321 5.222 1.00 0.00 C ATOM 0 H LEU A 79 8.239 7.448 5.379 1.00 0.00 H new ATOM 0 HA LEU A 79 6.987 7.685 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.127 9.953 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.669 9.635 3.811 1.00 0.00 H new ATOM 0 HG LEU A 79 7.952 9.322 5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.384 9.690 5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.948 8.280 4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.412 9.810 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.814 11.605 6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.741 11.851 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.244 11.583 5.302 1.00 0.00 H new ATOM 1196 N PRO A 80 9.017 7.649 1.258 1.00 0.00 N ATOM 1197 CA PRO A 80 10.152 7.337 0.405 1.00 0.00 C ATOM 1198 C PRO A 80 11.210 8.440 0.475 1.00 0.00 C ATOM 1199 O PRO A 80 10.885 9.603 0.708 1.00 0.00 O ATOM 1200 CB PRO A 80 9.563 7.165 -0.985 1.00 0.00 C ATOM 1201 CG PRO A 80 8.202 7.840 -0.948 1.00 0.00 C ATOM 1202 CD PRO A 80 7.844 8.087 0.508 1.00 0.00 C ATOM 0 HA PRO A 80 10.676 6.433 0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.204 7.620 -1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.469 6.110 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.227 8.780 -1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.451 7.210 -1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.629 9.140 0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.956 7.525 0.798 1.00 0.00 H new ATOM 1210 N ILE A 81 12.455 8.036 0.267 1.00 0.00 N ATOM 1211 CA ILE A 81 13.562 8.976 0.303 1.00 0.00 C ATOM 1212 C ILE A 81 14.069 9.215 -1.120 1.00 0.00 C ATOM 1213 O ILE A 81 14.168 10.358 -1.564 1.00 0.00 O ATOM 1214 CB ILE A 81 14.646 8.490 1.268 1.00 0.00 C ATOM 1215 CG1 ILE A 81 14.034 8.031 2.593 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.718 9.562 1.473 1.00 0.00 C ATOM 1217 CD1 ILE A 81 13.389 9.203 3.335 1.00 0.00 C ATOM 0 H ILE A 81 12.721 7.071 0.073 1.00 0.00 H new ATOM 0 HA ILE A 81 13.231 9.940 0.690 1.00 0.00 H new ATOM 0 HB ILE A 81 15.137 7.625 0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 81 13.287 7.260 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 81 14.806 7.581 3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.476 9.191 2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.183 9.799 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.260 10.460 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 81 12.962 8.849 4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 81 14.144 9.961 3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 81 12.601 9.635 2.718 1.00 0.00 H new ATOM 1229 N LYS A 82 14.376 8.118 -1.797 1.00 0.00 N ATOM 1230 CA LYS A 82 14.870 8.195 -3.161 1.00 0.00 C ATOM 1231 C LYS A 82 14.359 6.989 -3.952 1.00 0.00 C ATOM 1232 O LYS A 82 14.030 5.956 -3.372 1.00 0.00 O ATOM 1233 CB LYS A 82 16.393 8.337 -3.173 1.00 0.00 C ATOM 1234 CG LYS A 82 16.806 9.810 -3.190 1.00 0.00 C ATOM 1235 CD LYS A 82 17.546 10.187 -1.905 1.00 0.00 C ATOM 1236 CE LYS A 82 18.871 10.884 -2.219 1.00 0.00 C ATOM 1237 NZ LYS A 82 19.971 10.288 -1.429 1.00 0.00 N ATOM 0 H LYS A 82 14.292 7.171 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 82 14.486 9.088 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.814 7.848 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.802 7.831 -4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.445 10.002 -4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.922 10.438 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.920 10.843 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.734 9.291 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 82 19.091 10.797 -3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.791 11.948 -1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.863 10.773 -1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.767 10.393 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.058 9.278 -1.662 1.00 0.00 H new ATOM 1251 N GLU A 83 14.309 7.161 -5.265 1.00 0.00 N ATOM 1252 CA GLU A 83 13.843 6.099 -6.142 1.00 0.00 C ATOM 1253 C GLU A 83 12.382 5.763 -5.839 1.00 0.00 C ATOM 1254 O GLU A 83 11.982 5.708 -4.677 1.00 0.00 O ATOM 1255 CB GLU A 83 14.729 4.858 -6.017 1.00 0.00 C ATOM 1256 CG GLU A 83 16.001 5.006 -6.855 1.00 0.00 C ATOM 1257 CD GLU A 83 17.245 4.683 -6.025 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.135 3.783 -5.164 1.00 0.00 O ATOM 1259 OE2 GLU A 83 18.277 5.343 -6.269 1.00 0.00 O ATOM 0 H GLU A 83 14.583 8.019 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 83 13.908 6.449 -7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.994 4.700 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.175 3.977 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.952 4.341 -7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.071 6.023 -7.240 1.00 0.00 H new ATOM 1266 N ASP A 84 11.624 5.547 -6.904 1.00 0.00 N ATOM 1267 CA ASP A 84 10.216 5.217 -6.766 1.00 0.00 C ATOM 1268 C ASP A 84 10.063 4.047 -5.792 1.00 0.00 C ATOM 1269 O ASP A 84 11.053 3.450 -5.374 1.00 0.00 O ATOM 1270 CB ASP A 84 9.615 4.796 -8.109 1.00 0.00 C ATOM 1271 CG ASP A 84 8.971 5.928 -8.912 1.00 0.00 C ATOM 1272 OD1 ASP A 84 9.418 7.081 -8.727 1.00 0.00 O ATOM 1273 OD2 ASP A 84 8.048 5.615 -9.694 1.00 0.00 O ATOM 0 H ASP A 84 11.959 5.594 -7.866 1.00 0.00 H new ATOM 0 HA ASP A 84 9.697 6.103 -6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.399 4.342 -8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.865 4.026 -7.929 1.00 0.00 H new ATOM 1278 N TYR A 85 8.814 3.756 -5.459 1.00 0.00 N ATOM 1279 CA TYR A 85 8.519 2.668 -4.542 1.00 0.00 C ATOM 1280 C TYR A 85 7.522 1.686 -5.159 1.00 0.00 C ATOM 1281 O TYR A 85 6.416 2.072 -5.536 1.00 0.00 O ATOM 1282 CB TYR A 85 7.883 3.316 -3.310 1.00 0.00 C ATOM 1283 CG TYR A 85 8.408 2.772 -1.980 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.766 2.632 -1.780 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.524 2.422 -0.980 1.00 0.00 C ATOM 1286 CE1 TYR A 85 10.261 2.120 -0.528 1.00 0.00 C ATOM 1287 CE2 TYR A 85 8.018 1.911 0.272 1.00 0.00 C ATOM 1288 CZ TYR A 85 9.362 1.785 0.436 1.00 0.00 C ATOM 1289 OH TYR A 85 9.829 1.302 1.618 1.00 0.00 O ATOM 0 H TYR A 85 7.995 4.254 -5.808 1.00 0.00 H new ATOM 0 HA TYR A 85 9.425 2.112 -4.301 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.059 4.391 -3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.804 3.168 -3.351 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.458 2.906 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.461 2.531 -1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.321 2.005 -0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.337 1.634 1.063 1.00 0.00 H new ATOM 0 HH TYR A 85 9.075 1.106 2.212 1.00 0.00 H new ATOM 1299 N ILE A 86 7.948 0.434 -5.244 1.00 0.00 N ATOM 1300 CA ILE A 86 7.106 -0.606 -5.809 1.00 0.00 C ATOM 1301 C ILE A 86 6.497 -1.435 -4.676 1.00 0.00 C ATOM 1302 O ILE A 86 7.180 -2.255 -4.065 1.00 0.00 O ATOM 1303 CB ILE A 86 7.891 -1.438 -6.825 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.085 -0.666 -8.133 1.00 0.00 C ATOM 1305 CG2 ILE A 86 7.225 -2.796 -7.055 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.498 0.781 -7.859 1.00 0.00 C ATOM 0 H ILE A 86 8.865 0.117 -4.931 1.00 0.00 H new ATOM 0 HA ILE A 86 6.278 -0.165 -6.364 1.00 0.00 H new ATOM 0 HB ILE A 86 8.882 -1.631 -6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.846 -1.157 -8.740 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.160 -0.681 -8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.804 -3.367 -7.781 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.182 -3.344 -6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.214 -2.646 -7.434 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.629 1.307 -8.805 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.723 1.276 -7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.436 0.793 -7.304 1.00 0.00 H new ATOM 1318 N ILE A 87 5.217 -1.193 -4.431 1.00 0.00 N ATOM 1319 CA ILE A 87 4.508 -1.906 -3.382 1.00 0.00 C ATOM 1320 C ILE A 87 3.657 -3.012 -4.010 1.00 0.00 C ATOM 1321 O ILE A 87 3.139 -2.851 -5.114 1.00 0.00 O ATOM 1322 CB ILE A 87 3.708 -0.930 -2.517 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.492 0.362 -2.280 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.277 -1.588 -1.205 1.00 0.00 C ATOM 1325 CD1 ILE A 87 4.081 1.018 -0.960 1.00 0.00 C ATOM 0 H ILE A 87 4.653 -0.513 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 87 5.213 -2.390 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 87 2.800 -0.661 -3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.560 0.146 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.318 1.054 -3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.710 -0.873 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.654 -2.456 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.160 -1.905 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.653 1.934 -0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.017 1.255 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.279 0.333 -0.136 1.00 0.00 H new ATOM 1337 N GLU A 88 3.539 -4.110 -3.278 1.00 0.00 N ATOM 1338 CA GLU A 88 2.760 -5.243 -3.749 1.00 0.00 C ATOM 1339 C GLU A 88 1.933 -5.831 -2.604 1.00 0.00 C ATOM 1340 O GLU A 88 2.482 -6.225 -1.576 1.00 0.00 O ATOM 1341 CB GLU A 88 3.662 -6.306 -4.377 1.00 0.00 C ATOM 1342 CG GLU A 88 3.662 -6.194 -5.903 1.00 0.00 C ATOM 1343 CD GLU A 88 3.357 -7.546 -6.552 1.00 0.00 C ATOM 1344 OE1 GLU A 88 3.934 -8.547 -6.075 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.555 -7.548 -7.510 1.00 0.00 O ATOM 0 H GLU A 88 3.970 -4.239 -2.362 1.00 0.00 H new ATOM 0 HA GLU A 88 2.076 -4.893 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.679 -6.194 -4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.321 -7.298 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.920 -5.460 -6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.632 -5.833 -6.245 1.00 0.00 H new ATOM 1352 N VAL A 89 0.627 -5.873 -2.820 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.281 -6.407 -1.819 1.00 0.00 C ATOM 1354 C VAL A 89 -0.534 -7.888 -2.105 1.00 0.00 C ATOM 1355 O VAL A 89 -0.897 -8.256 -3.221 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.566 -5.577 -1.781 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.555 -6.144 -0.760 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.260 -4.106 -1.491 1.00 0.00 C ATOM 0 H VAL A 89 0.175 -5.546 -3.674 1.00 0.00 H new ATOM 0 HA VAL A 89 0.163 -6.339 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.031 -5.634 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.459 -5.536 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.809 -7.169 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.102 -6.132 0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.190 -3.538 -1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.761 -4.022 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.611 -3.709 -2.271 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.334 -8.699 -1.076 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.536 -10.133 -1.203 1.00 0.00 C ATOM 1370 C LYS A 90 -1.525 -10.600 -0.134 1.00 0.00 C ATOM 1371 O LYS A 90 -1.653 -9.973 0.916 1.00 0.00 O ATOM 1372 CB LYS A 90 0.805 -10.869 -1.164 1.00 0.00 C ATOM 1373 CG LYS A 90 1.284 -11.211 -2.577 1.00 0.00 C ATOM 1374 CD LYS A 90 1.958 -12.584 -2.609 1.00 0.00 C ATOM 1375 CE LYS A 90 3.095 -12.613 -3.633 1.00 0.00 C ATOM 1376 NZ LYS A 90 2.659 -13.296 -4.872 1.00 0.00 N ATOM 0 H LYS A 90 -0.034 -8.391 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.976 -10.372 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.549 -10.250 -0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.705 -11.783 -0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.438 -11.201 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.984 -10.450 -2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.348 -12.825 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.222 -13.349 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.411 -11.596 -3.863 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.959 -13.127 -3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.359 -13.132 -5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.575 -14.317 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.737 -12.919 -5.170 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.200 -11.699 -0.438 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.174 -12.258 0.484 1.00 0.00 C ATOM 1392 C ALA A 91 -2.621 -13.555 1.079 1.00 0.00 C ATOM 1393 O ALA A 91 -2.073 -14.388 0.360 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.503 -12.471 -0.244 1.00 0.00 C ATOM 0 H ALA A 91 -2.092 -12.217 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.361 -11.570 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.234 -12.890 0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.868 -11.516 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.356 -13.159 -1.077 1.00 0.00 H new ATOM 1400 N THR A 92 -2.784 -13.684 2.388 1.00 0.00 N ATOM 1401 CA THR A 92 -2.308 -14.865 3.088 1.00 0.00 C ATOM 1402 C THR A 92 -3.483 -15.767 3.472 1.00 0.00 C ATOM 1403 O THR A 92 -4.583 -15.283 3.730 1.00 0.00 O ATOM 1404 CB THR A 92 -1.481 -14.401 4.289 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.448 -13.886 5.199 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.598 -13.196 3.961 1.00 0.00 C ATOM 0 H THR A 92 -3.239 -12.990 2.982 1.00 0.00 H new ATOM 0 HA THR A 92 -1.668 -15.473 2.449 1.00 0.00 H new ATOM 0 HB THR A 92 -0.857 -15.223 4.639 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.997 -13.564 6.008 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.033 -12.907 4.847 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.092 -13.458 3.159 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.224 -12.362 3.642 1.00 0.00 H new ATOM 1414 N THR A 93 -3.208 -17.063 3.496 1.00 0.00 N ATOM 1415 CA THR A 93 -4.228 -18.038 3.844 1.00 0.00 C ATOM 1416 C THR A 93 -3.646 -19.117 4.759 1.00 0.00 C ATOM 1417 O THR A 93 -2.524 -18.982 5.247 1.00 0.00 O ATOM 1418 CB THR A 93 -4.813 -18.595 2.544 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.669 -18.878 1.743 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.576 -17.537 1.745 1.00 0.00 C ATOM 0 H THR A 93 -2.294 -17.461 3.280 1.00 0.00 H new ATOM 0 HA THR A 93 -5.037 -17.578 4.411 1.00 0.00 H new ATOM 0 HB THR A 93 -5.479 -19.427 2.772 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.651 -19.833 1.525 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.970 -17.984 0.833 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.400 -17.152 2.346 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.902 -16.720 1.487 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.433 -20.162 4.965 1.00 0.00 N ATOM 1429 CA ASP A 94 -4.010 -21.263 5.813 1.00 0.00 C ATOM 1430 C ASP A 94 -2.919 -22.062 5.097 1.00 0.00 C ATOM 1431 O ASP A 94 -2.133 -22.759 5.738 1.00 0.00 O ATOM 1432 CB ASP A 94 -5.174 -22.211 6.108 1.00 0.00 C ATOM 1433 CG ASP A 94 -5.407 -22.507 7.590 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -4.651 -21.941 8.408 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -6.337 -23.294 7.872 1.00 0.00 O ATOM 0 H ASP A 94 -5.362 -20.270 4.559 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.640 -20.845 6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.086 -21.784 5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.997 -23.153 5.588 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.905 -21.934 3.779 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.923 -22.636 2.969 1.00 0.00 C ATOM 1442 C GLY A 95 -0.615 -21.847 2.888 1.00 0.00 C ATOM 1443 O GLY A 95 0.467 -22.431 2.893 1.00 0.00 O ATOM 0 H GLY A 95 -3.558 -21.355 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.732 -23.621 3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.319 -22.794 1.966 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.758 -20.531 2.815 1.00 0.00 N ATOM 1448 CA GLY A 96 0.399 -19.656 2.733 1.00 0.00 C ATOM 1449 C GLY A 96 0.014 -18.290 2.163 1.00 0.00 C ATOM 1450 O GLY A 96 -0.923 -17.654 2.643 1.00 0.00 O ATOM 0 H GLY A 96 -1.658 -20.050 2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.835 -19.531 3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.162 -20.114 2.104 1.00 0.00 H new ATOM 1454 N ASP A 97 0.757 -17.878 1.145 1.00 0.00 N ATOM 1455 CA ASP A 97 0.505 -16.599 0.504 1.00 0.00 C ATOM 1456 C ASP A 97 -0.478 -16.798 -0.652 1.00 0.00 C ATOM 1457 O ASP A 97 -0.929 -17.914 -0.903 1.00 0.00 O ATOM 1458 CB ASP A 97 1.794 -16.006 -0.067 1.00 0.00 C ATOM 1459 CG ASP A 97 3.054 -16.288 0.752 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.256 -15.564 1.751 1.00 0.00 O ATOM 1461 OD2 ASP A 97 3.788 -17.222 0.362 1.00 0.00 O ATOM 0 H ASP A 97 1.533 -18.408 0.749 1.00 0.00 H new ATOM 0 HA ASP A 97 0.097 -15.920 1.253 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.940 -16.395 -1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.671 -14.927 -0.156 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.780 -15.697 -1.325 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.700 -15.736 -2.449 1.00 0.00 C ATOM 1468 C GLY A 98 -1.114 -15.013 -3.663 1.00 0.00 C ATOM 1469 O GLY A 98 0.042 -15.232 -4.022 1.00 0.00 O ATOM 0 H GLY A 98 -0.404 -14.773 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.919 -16.772 -2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.645 -15.272 -2.166 1.00 0.00 H new ATOM 1473 N THR A 99 -1.939 -14.167 -4.262 1.00 0.00 N ATOM 1474 CA THR A 99 -1.517 -13.410 -5.429 1.00 0.00 C ATOM 1475 C THR A 99 -1.136 -11.983 -5.030 1.00 0.00 C ATOM 1476 O THR A 99 -1.610 -11.470 -4.018 1.00 0.00 O ATOM 1477 CB THR A 99 -2.641 -13.472 -6.464 1.00 0.00 C ATOM 1478 OG1 THR A 99 -2.863 -14.866 -6.654 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.197 -12.974 -7.841 1.00 0.00 C ATOM 0 H THR A 99 -2.897 -13.989 -3.961 1.00 0.00 H new ATOM 0 HA THR A 99 -0.620 -13.839 -5.876 1.00 0.00 H new ATOM 0 HB THR A 99 -3.486 -12.877 -6.118 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.461 -15.001 -7.419 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.032 -13.039 -8.538 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.868 -11.938 -7.764 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.374 -13.590 -8.203 1.00 0.00 H new ATOM 1487 N SER A 100 -0.282 -11.383 -5.846 1.00 0.00 N ATOM 1488 CA SER A 100 0.169 -10.025 -5.591 1.00 0.00 C ATOM 1489 C SER A 100 -0.475 -9.063 -6.592 1.00 0.00 C ATOM 1490 O SER A 100 -0.247 -9.171 -7.796 1.00 0.00 O ATOM 1491 CB SER A 100 1.694 -9.927 -5.666 1.00 0.00 C ATOM 1492 OG SER A 100 2.158 -9.851 -7.011 1.00 0.00 O ATOM 0 H SER A 100 0.110 -11.812 -6.684 1.00 0.00 H new ATOM 0 HA SER A 100 -0.136 -9.747 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.028 -9.047 -5.117 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.138 -10.795 -5.178 1.00 0.00 H new ATOM 0 HG SER A 100 1.817 -9.033 -7.429 1.00 0.00 H new ATOM 1498 N SER A 101 -1.267 -8.146 -6.057 1.00 0.00 N ATOM 1499 CA SER A 101 -1.945 -7.166 -6.888 1.00 0.00 C ATOM 1500 C SER A 101 -0.934 -6.455 -7.789 1.00 0.00 C ATOM 1501 O SER A 101 0.253 -6.778 -7.773 1.00 0.00 O ATOM 1502 CB SER A 101 -2.702 -6.148 -6.033 1.00 0.00 C ATOM 1503 OG SER A 101 -1.823 -5.372 -5.222 1.00 0.00 O ATOM 0 H SER A 101 -1.454 -8.061 -5.058 1.00 0.00 H new ATOM 0 HA SER A 101 -2.671 -7.689 -7.510 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.276 -5.486 -6.681 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.417 -6.670 -5.396 1.00 0.00 H new ATOM 0 HG SER A 101 -1.673 -4.500 -5.644 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.440 -5.498 -8.554 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.596 -4.739 -9.460 1.00 0.00 C ATOM 1511 C GLU A 102 0.359 -3.842 -8.670 1.00 0.00 C ATOM 1512 O GLU A 102 -0.076 -3.049 -7.836 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.440 -3.916 -10.436 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.579 -4.633 -11.780 1.00 0.00 C ATOM 1515 CD GLU A 102 -3.051 -4.858 -12.132 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -3.811 -3.869 -12.053 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -3.383 -6.014 -12.472 1.00 0.00 O ATOM 0 H GLU A 102 -2.424 -5.231 -8.564 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.003 -5.441 -10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.428 -3.740 -10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.980 -2.940 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.100 -4.043 -12.562 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.060 -5.591 -11.741 1.00 0.00 H new ATOM 1524 N GLN A 103 1.642 -3.997 -8.960 1.00 0.00 N ATOM 1525 CA GLN A 103 2.662 -3.211 -8.286 1.00 0.00 C ATOM 1526 C GLN A 103 2.266 -1.734 -8.265 1.00 0.00 C ATOM 1527 O GLN A 103 1.785 -1.202 -9.265 1.00 0.00 O ATOM 1528 CB GLN A 103 4.028 -3.403 -8.948 1.00 0.00 C ATOM 1529 CG GLN A 103 4.852 -4.460 -8.210 1.00 0.00 C ATOM 1530 CD GLN A 103 6.191 -4.699 -8.910 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.756 -3.821 -9.542 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.667 -5.932 -8.762 1.00 0.00 N ATOM 0 H GLN A 103 1.999 -4.655 -9.653 1.00 0.00 H new ATOM 0 HA GLN A 103 2.741 -3.560 -7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.893 -3.702 -9.987 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.568 -2.456 -8.956 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.027 -4.138 -7.183 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.292 -5.394 -8.161 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.143 -6.619 -8.220 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.556 -6.190 -9.191 1.00 0.00 H new ATOM 1541 N ILE A 104 2.482 -1.112 -7.115 1.00 0.00 N ATOM 1542 CA ILE A 104 2.153 0.294 -6.951 1.00 0.00 C ATOM 1543 C ILE A 104 3.383 1.142 -7.281 1.00 0.00 C ATOM 1544 O ILE A 104 4.506 0.640 -7.283 1.00 0.00 O ATOM 1545 CB ILE A 104 1.585 0.551 -5.554 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.865 -0.688 -5.018 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.683 1.786 -5.548 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.297 -0.294 -4.104 1.00 0.00 C ATOM 0 H ILE A 104 2.881 -1.556 -6.288 1.00 0.00 H new ATOM 0 HA ILE A 104 1.367 0.586 -7.648 1.00 0.00 H new ATOM 0 HB ILE A 104 2.416 0.756 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.492 -1.285 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.569 -1.313 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.292 1.946 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.259 2.658 -5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.146 1.635 -6.240 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.792 -1.193 -3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.083 0.282 -3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.011 0.310 -4.663 1.00 0.00 H new ATOM 1560 N ARG A 105 3.129 2.414 -7.552 1.00 0.00 N ATOM 1561 CA ARG A 105 4.201 3.337 -7.883 1.00 0.00 C ATOM 1562 C ARG A 105 4.085 4.609 -7.040 1.00 0.00 C ATOM 1563 O ARG A 105 3.143 5.383 -7.204 1.00 0.00 O ATOM 1564 CB ARG A 105 4.168 3.712 -9.366 1.00 0.00 C ATOM 1565 CG ARG A 105 5.542 3.518 -10.011 1.00 0.00 C ATOM 1566 CD ARG A 105 5.422 3.409 -11.532 1.00 0.00 C ATOM 1567 NE ARG A 105 6.642 3.946 -12.176 1.00 0.00 N ATOM 1568 CZ ARG A 105 6.744 4.219 -13.483 1.00 0.00 C ATOM 1569 NH1 ARG A 105 5.699 4.007 -14.295 1.00 0.00 N ATOM 1570 NH2 ARG A 105 7.890 4.704 -13.980 1.00 0.00 N ATOM 0 H ARG A 105 2.196 2.827 -7.549 1.00 0.00 H new ATOM 0 HA ARG A 105 5.146 2.838 -7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.430 3.099 -9.883 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.854 4.750 -9.475 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.191 4.355 -9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.010 2.617 -9.614 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.277 2.368 -11.820 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.547 3.960 -11.876 1.00 0.00 H new ATOM 0 HE ARG A 105 7.456 4.119 -11.587 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.826 3.638 -13.917 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.776 4.215 -15.291 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.686 4.866 -13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.967 4.912 -14.976 1.00 0.00 H new ATOM 1584 N ILE A 106 5.057 4.787 -6.157 1.00 0.00 N ATOM 1585 CA ILE A 106 5.075 5.951 -5.288 1.00 0.00 C ATOM 1586 C ILE A 106 6.395 6.702 -5.477 1.00 0.00 C ATOM 1587 O ILE A 106 7.393 6.382 -4.832 1.00 0.00 O ATOM 1588 CB ILE A 106 4.801 5.544 -3.839 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.575 4.634 -3.748 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.670 6.774 -2.939 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.686 3.681 -2.556 1.00 0.00 C ATOM 0 H ILE A 106 5.838 4.144 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 106 4.274 6.639 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 106 5.655 4.971 -3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.674 5.240 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.475 4.060 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.475 6.456 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.596 7.349 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.845 7.395 -3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.801 3.045 -2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.574 3.060 -2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.761 4.258 -1.634 1.00 0.00 H new ATOM 1603 N PRO A 107 6.358 7.711 -6.388 1.00 0.00 N ATOM 1604 CA PRO A 107 7.539 8.509 -6.670 1.00 0.00 C ATOM 1605 C PRO A 107 7.816 9.497 -5.535 1.00 0.00 C ATOM 1606 O PRO A 107 6.926 9.804 -4.742 1.00 0.00 O ATOM 1607 CB PRO A 107 7.244 9.194 -7.994 1.00 0.00 C ATOM 1608 CG PRO A 107 5.736 9.122 -8.174 1.00 0.00 C ATOM 1609 CD PRO A 107 5.194 8.118 -7.170 1.00 0.00 C ATOM 0 HA PRO A 107 8.446 7.908 -6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.587 10.229 -7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.760 8.696 -8.815 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.285 10.102 -8.015 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.487 8.818 -9.191 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.428 8.565 -6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.735 7.265 -7.671 1.00 0.00 H new ATOM 1617 N ARG A 108 9.054 9.968 -5.492 1.00 0.00 N ATOM 1618 CA ARG A 108 9.460 10.915 -4.467 1.00 0.00 C ATOM 1619 C ARG A 108 8.409 12.017 -4.317 1.00 0.00 C ATOM 1620 O ARG A 108 7.858 12.493 -5.308 1.00 0.00 O ATOM 1621 CB ARG A 108 10.810 11.549 -4.808 1.00 0.00 C ATOM 1622 CG ARG A 108 11.955 10.564 -4.568 1.00 0.00 C ATOM 1623 CD ARG A 108 12.880 10.492 -5.784 1.00 0.00 C ATOM 1624 NE ARG A 108 13.393 11.841 -6.111 1.00 0.00 N ATOM 1625 CZ ARG A 108 14.118 12.126 -7.201 1.00 0.00 C ATOM 1626 NH1 ARG A 108 14.422 11.157 -8.075 1.00 0.00 N ATOM 1627 NH2 ARG A 108 14.541 13.379 -7.416 1.00 0.00 N ATOM 0 H ARG A 108 9.789 9.711 -6.151 1.00 0.00 H new ATOM 0 HA ARG A 108 9.555 10.369 -3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.813 11.868 -5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.960 12.442 -4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.525 10.870 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.550 9.575 -4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.712 9.818 -5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.340 10.082 -6.638 1.00 0.00 H new ATOM 0 HE ARG A 108 13.181 12.602 -5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.101 10.203 -7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.974 11.374 -8.905 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.311 14.116 -6.750 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.093 13.596 -8.246 1.00 0.00 H new