USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 764 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 102 GLN : amide:sc= -0.617 K(o=-1,f=-2.8) USER MOD Set 1.2: A 103 ASN : amide:sc= -0.4 X(o=-1,f=-1.5!) USER MOD Set 2.1: A 79 TYR OH : rot 0:sc= 1.02 USER MOD Set 2.2: A 88 SER OG : rot 115:sc= 1.65 USER MOD Set 3.1: A 37 THR OG1 : rot 9:sc= 0.515 USER MOD Set 3.2: A 48 THR OG1 : rot 65:sc= 1.33 USER MOD Set 4.1: A 20 THR OG1 : rot 180:sc= 0.665 USER MOD Set 4.2: A 39 THR OG1 : rot -80:sc= 0.758 USER MOD Set 5.1: A 17 TYR OH : rot -160:sc= 0.76 USER MOD Set 5.2: A 64 TYR OH : rot 55:sc= 1.21 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 60:sc= 1.28 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -65:sc= 0.923 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0635 USER MOD Single : A 51 MET CE :methyl -108:sc= -2.09 (180deg=-4.65!) USER MOD Single : A 58 GLN : amide:sc= -0.917 K(o=-0.92,f=0) USER MOD Single : A 62 MET CE :methyl 140:sc= -3.14! (180deg=-6.14!) USER MOD Single : A 65 LYS NZ :NH3+ -155:sc= -0.17 (180deg=-0.736) USER MOD Single : A 68 SER OG : rot 180:sc=-0.00783 USER MOD Single : A 69 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 70 SER OG : rot -74:sc= 1.24 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -3.51! C(o=-3.5!,f=-3.1!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -166:sc= 1.2 (180deg=0.922) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 177:sc= 0.584 (180deg=0.499) USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.6! USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 140:sc= -0.874 (180deg=-2.88!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.126 USER MOD ----------------------------------------------------------------- ATOM 204 N THR A 14 8.604 12.183 -14.391 1.00 0.00 N ATOM 205 CA THR A 14 8.685 10.962 -13.603 1.00 0.00 C ATOM 206 C THR A 14 7.497 10.889 -12.633 1.00 0.00 C ATOM 207 O THR A 14 7.107 11.900 -12.043 1.00 0.00 O ATOM 208 CB THR A 14 10.029 10.877 -12.834 1.00 0.00 C ATOM 209 OG1 THR A 14 10.143 9.621 -12.149 1.00 0.00 O ATOM 210 CG2 THR A 14 10.174 12.020 -11.833 1.00 0.00 C ATOM 0 HA THR A 14 8.642 10.110 -14.281 1.00 0.00 H new ATOM 0 HB THR A 14 10.829 10.960 -13.570 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.998 9.585 -11.671 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.127 11.929 -11.312 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.139 12.973 -12.361 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.360 11.976 -11.110 1.00 0.00 H new ATOM 218 N PRO A 15 6.873 9.700 -12.505 1.00 0.00 N ATOM 219 CA PRO A 15 5.725 9.483 -11.611 1.00 0.00 C ATOM 220 C PRO A 15 5.980 9.967 -10.186 1.00 0.00 C ATOM 221 O PRO A 15 6.937 9.547 -9.536 1.00 0.00 O ATOM 222 CB PRO A 15 5.547 7.966 -11.632 1.00 0.00 C ATOM 223 CG PRO A 15 6.088 7.545 -12.954 1.00 0.00 C ATOM 224 CD PRO A 15 7.231 8.475 -13.244 1.00 0.00 C ATOM 0 HA PRO A 15 4.848 10.041 -11.940 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.087 7.492 -10.813 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.498 7.688 -11.525 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.425 6.509 -12.927 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.324 7.612 -13.728 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.181 8.063 -12.902 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.332 8.666 -14.312 1.00 0.00 H new ATOM 232 N PHE A 16 5.098 10.839 -9.703 1.00 0.00 N ATOM 233 CA PHE A 16 5.250 11.454 -8.385 1.00 0.00 C ATOM 234 C PHE A 16 5.159 10.427 -7.256 1.00 0.00 C ATOM 235 O PHE A 16 5.750 10.611 -6.189 1.00 0.00 O ATOM 236 CB PHE A 16 4.192 12.554 -8.188 1.00 0.00 C ATOM 237 CG PHE A 16 2.765 12.077 -8.294 1.00 0.00 C ATOM 238 CD1 PHE A 16 2.127 12.021 -9.525 1.00 0.00 C ATOM 239 CD2 PHE A 16 2.063 11.688 -7.163 1.00 0.00 C ATOM 240 CE1 PHE A 16 0.821 11.584 -9.624 1.00 0.00 C ATOM 241 CE2 PHE A 16 0.755 11.250 -7.256 1.00 0.00 C ATOM 242 CZ PHE A 16 0.134 11.197 -8.488 1.00 0.00 C ATOM 0 H PHE A 16 4.264 11.138 -10.209 1.00 0.00 H new ATOM 0 HA PHE A 16 6.246 11.896 -8.344 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.338 13.009 -7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.356 13.335 -8.930 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.658 12.323 -10.416 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.544 11.728 -6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.336 11.544 -10.588 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.220 10.950 -6.367 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.887 10.854 -8.564 1.00 0.00 H new ATOM 252 N TYR A 17 4.432 9.341 -7.493 1.00 0.00 N ATOM 253 CA TYR A 17 4.203 8.341 -6.461 1.00 0.00 C ATOM 254 C TYR A 17 5.366 7.352 -6.380 1.00 0.00 C ATOM 255 O TYR A 17 5.407 6.510 -5.484 1.00 0.00 O ATOM 256 CB TYR A 17 2.895 7.590 -6.734 1.00 0.00 C ATOM 257 CG TYR A 17 2.965 6.598 -7.883 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.852 7.015 -9.202 1.00 0.00 C ATOM 259 CD2 TYR A 17 3.141 5.239 -7.641 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.914 6.110 -10.245 1.00 0.00 C ATOM 261 CE2 TYR A 17 3.206 4.328 -8.679 1.00 0.00 C ATOM 262 CZ TYR A 17 3.089 4.768 -9.978 1.00 0.00 C ATOM 263 OH TYR A 17 3.160 3.868 -11.017 1.00 0.00 O ATOM 0 H TYR A 17 3.992 9.132 -8.389 1.00 0.00 H new ATOM 0 HA TYR A 17 4.129 8.857 -5.504 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.601 7.058 -5.829 1.00 0.00 H new ATOM 0 HB3 TYR A 17 2.111 8.317 -6.946 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.713 8.064 -9.417 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.228 4.889 -6.623 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.826 6.452 -11.265 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.348 3.278 -8.472 1.00 0.00 H new ATOM 0 HH TYR A 17 2.973 2.966 -10.682 1.00 0.00 H new ATOM 273 N TYR A 18 6.306 7.461 -7.310 1.00 0.00 N ATOM 274 CA TYR A 18 7.405 6.512 -7.386 1.00 0.00 C ATOM 275 C TYR A 18 8.367 6.735 -6.226 1.00 0.00 C ATOM 276 O TYR A 18 8.689 7.873 -5.879 1.00 0.00 O ATOM 277 CB TYR A 18 8.134 6.655 -8.725 1.00 0.00 C ATOM 278 CG TYR A 18 8.917 5.433 -9.144 1.00 0.00 C ATOM 279 CD1 TYR A 18 8.285 4.379 -9.790 1.00 0.00 C ATOM 280 CD2 TYR A 18 10.283 5.335 -8.907 1.00 0.00 C ATOM 281 CE1 TYR A 18 8.990 3.261 -10.188 1.00 0.00 C ATOM 282 CE2 TYR A 18 10.996 4.220 -9.303 1.00 0.00 C ATOM 283 CZ TYR A 18 10.346 3.186 -9.944 1.00 0.00 C ATOM 284 OH TYR A 18 11.054 2.074 -10.344 1.00 0.00 O ATOM 0 H TYR A 18 6.328 8.194 -8.019 1.00 0.00 H new ATOM 0 HA TYR A 18 7.006 5.500 -7.317 1.00 0.00 H new ATOM 0 HB2 TYR A 18 7.403 6.886 -9.500 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.814 7.504 -8.665 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.224 4.435 -9.984 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.795 6.143 -8.406 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.483 2.449 -10.688 1.00 0.00 H new ATOM 0 HE2 TYR A 18 12.057 4.158 -9.112 1.00 0.00 H new ATOM 0 HH TYR A 18 10.975 1.967 -11.315 1.00 0.00 H new ATOM 294 N GLY A 19 8.809 5.642 -5.628 1.00 0.00 N ATOM 295 CA GLY A 19 9.686 5.727 -4.478 1.00 0.00 C ATOM 296 C GLY A 19 9.148 4.947 -3.298 1.00 0.00 C ATOM 297 O GLY A 19 8.453 3.942 -3.475 1.00 0.00 O ATOM 0 H GLY A 19 8.576 4.693 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.672 5.347 -4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.813 6.772 -4.195 1.00 0.00 H new ATOM 301 N THR A 20 9.462 5.409 -2.093 1.00 0.00 N ATOM 302 CA THR A 20 9.020 4.748 -0.874 1.00 0.00 C ATOM 303 C THR A 20 8.314 5.742 0.050 1.00 0.00 C ATOM 304 O THR A 20 8.811 6.845 0.287 1.00 0.00 O ATOM 305 CB THR A 20 10.216 4.119 -0.130 1.00 0.00 C ATOM 306 OG1 THR A 20 10.969 3.286 -1.027 1.00 0.00 O ATOM 307 CG2 THR A 20 9.752 3.297 1.069 1.00 0.00 C ATOM 0 H THR A 20 10.025 6.245 -1.935 1.00 0.00 H new ATOM 0 HA THR A 20 8.321 3.960 -1.155 1.00 0.00 H new ATOM 0 HB THR A 20 10.849 4.928 0.235 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.727 2.891 -0.548 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.618 2.867 1.572 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.211 3.940 1.763 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.095 2.496 0.729 1.00 0.00 H new ATOM 315 N TRP A 21 7.155 5.352 0.559 1.00 0.00 N ATOM 316 CA TRP A 21 6.376 6.213 1.440 1.00 0.00 C ATOM 317 C TRP A 21 6.170 5.537 2.791 1.00 0.00 C ATOM 318 O TRP A 21 6.130 4.308 2.876 1.00 0.00 O ATOM 319 CB TRP A 21 5.016 6.533 0.815 1.00 0.00 C ATOM 320 CG TRP A 21 5.097 7.143 -0.555 1.00 0.00 C ATOM 321 CD1 TRP A 21 5.332 6.489 -1.731 1.00 0.00 C ATOM 322 CD2 TRP A 21 4.936 8.528 -0.893 1.00 0.00 C ATOM 323 NE1 TRP A 21 5.333 7.378 -2.776 1.00 0.00 N ATOM 324 CE2 TRP A 21 5.090 8.638 -2.289 1.00 0.00 C ATOM 325 CE3 TRP A 21 4.675 9.684 -0.152 1.00 0.00 C ATOM 326 CZ2 TRP A 21 4.993 9.858 -2.958 1.00 0.00 C ATOM 327 CZ3 TRP A 21 4.579 10.894 -0.816 1.00 0.00 C ATOM 328 CH2 TRP A 21 4.738 10.973 -2.207 1.00 0.00 C ATOM 0 H TRP A 21 6.731 4.442 0.377 1.00 0.00 H new ATOM 0 HA TRP A 21 6.927 7.142 1.583 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.430 5.616 0.758 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.478 7.215 1.473 1.00 0.00 H new ATOM 0 HD1 TRP A 21 5.494 5.425 -1.825 1.00 0.00 H new ATOM 0 HE1 TRP A 21 5.489 7.141 -3.756 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.551 9.634 0.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 5.115 9.920 -4.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.378 11.794 -0.253 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.658 11.933 -2.695 1.00 0.00 H new ATOM 339 N ASP A 22 6.039 6.344 3.837 1.00 0.00 N ATOM 340 CA ASP A 22 5.811 5.828 5.186 1.00 0.00 C ATOM 341 C ASP A 22 4.375 6.082 5.628 1.00 0.00 C ATOM 342 O ASP A 22 3.877 7.210 5.551 1.00 0.00 O ATOM 343 CB ASP A 22 6.794 6.465 6.178 1.00 0.00 C ATOM 344 CG ASP A 22 6.444 6.202 7.636 1.00 0.00 C ATOM 345 OD1 ASP A 22 6.052 5.066 7.969 1.00 0.00 O ATOM 346 OD2 ASP A 22 6.556 7.147 8.455 1.00 0.00 O ATOM 0 H ASP A 22 6.087 7.361 3.779 1.00 0.00 H new ATOM 0 HA ASP A 22 5.979 4.751 5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.796 6.084 5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.822 7.541 6.008 1.00 0.00 H new ATOM 351 N GLU A 23 3.714 5.023 6.076 1.00 0.00 N ATOM 352 CA GLU A 23 2.339 5.111 6.553 1.00 0.00 C ATOM 353 C GLU A 23 2.296 5.594 7.997 1.00 0.00 C ATOM 354 O GLU A 23 1.261 6.061 8.480 1.00 0.00 O ATOM 355 CB GLU A 23 1.659 3.742 6.473 1.00 0.00 C ATOM 356 CG GLU A 23 1.537 3.183 5.066 1.00 0.00 C ATOM 357 CD GLU A 23 0.924 1.795 5.057 1.00 0.00 C ATOM 358 OE1 GLU A 23 -0.273 1.673 5.400 1.00 0.00 O ATOM 359 OE2 GLU A 23 1.642 0.828 4.734 1.00 0.00 O ATOM 0 H GLU A 23 4.112 4.085 6.119 1.00 0.00 H new ATOM 0 HA GLU A 23 1.813 5.824 5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.220 3.035 7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.663 3.819 6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.926 3.853 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.523 3.147 4.604 1.00 0.00 H new ATOM 366 N GLY A 24 3.420 5.477 8.681 1.00 0.00 N ATOM 367 CA GLY A 24 3.466 5.770 10.097 1.00 0.00 C ATOM 368 C GLY A 24 3.369 4.499 10.915 1.00 0.00 C ATOM 369 O GLY A 24 4.236 4.207 11.736 1.00 0.00 O ATOM 0 H GLY A 24 4.309 5.182 8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.394 6.290 10.335 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.648 6.440 10.361 1.00 0.00 H new ATOM 373 N ARG A 25 2.304 3.742 10.677 1.00 0.00 N ATOM 374 CA ARG A 25 2.108 2.442 11.298 1.00 0.00 C ATOM 375 C ARG A 25 0.927 1.742 10.641 1.00 0.00 C ATOM 376 O ARG A 25 -0.003 2.399 10.170 1.00 0.00 O ATOM 377 CB ARG A 25 1.860 2.589 12.800 1.00 0.00 C ATOM 378 CG ARG A 25 1.860 1.268 13.555 1.00 0.00 C ATOM 379 CD ARG A 25 1.617 1.470 15.040 1.00 0.00 C ATOM 380 NE ARG A 25 2.661 2.275 15.673 1.00 0.00 N ATOM 381 CZ ARG A 25 2.506 2.897 16.839 1.00 0.00 C ATOM 382 NH1 ARG A 25 1.344 2.838 17.482 1.00 0.00 N ATOM 383 NH2 ARG A 25 3.510 3.585 17.362 1.00 0.00 N ATOM 0 H ARG A 25 1.551 4.016 10.046 1.00 0.00 H new ATOM 0 HA ARG A 25 3.010 1.846 11.160 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.626 3.239 13.223 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.901 3.085 12.954 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.089 0.615 13.146 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.816 0.765 13.408 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.651 1.954 15.184 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.563 0.499 15.532 1.00 0.00 H new ATOM 0 HE ARG A 25 3.557 2.365 15.194 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.566 2.314 17.082 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.231 3.317 18.376 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.402 3.638 16.871 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.391 4.062 18.256 1.00 0.00 H new ATOM 397 N ALA A 26 0.968 0.420 10.605 1.00 0.00 N ATOM 398 CA ALA A 26 -0.083 -0.362 9.972 1.00 0.00 C ATOM 399 C ALA A 26 -0.290 -1.682 10.706 1.00 0.00 C ATOM 400 O ALA A 26 0.611 -2.152 11.407 1.00 0.00 O ATOM 401 CB ALA A 26 0.259 -0.617 8.510 1.00 0.00 C ATOM 0 H ALA A 26 1.721 -0.137 11.009 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.012 0.206 10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.535 -1.203 8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.359 0.335 7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.199 -1.166 8.446 1.00 0.00 H new ATOM 407 N PRO A 27 -1.490 -2.275 10.588 1.00 0.00 N ATOM 408 CA PRO A 27 -1.770 -3.605 11.133 1.00 0.00 C ATOM 409 C PRO A 27 -0.978 -4.677 10.393 1.00 0.00 C ATOM 410 O PRO A 27 -0.924 -4.679 9.166 1.00 0.00 O ATOM 411 CB PRO A 27 -3.277 -3.793 10.900 1.00 0.00 C ATOM 412 CG PRO A 27 -3.800 -2.430 10.588 1.00 0.00 C ATOM 413 CD PRO A 27 -2.669 -1.697 9.932 1.00 0.00 C ATOM 0 HA PRO A 27 -1.489 -3.691 12.183 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.465 -4.484 10.078 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.763 -4.208 11.783 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.665 -2.485 9.927 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.123 -1.919 11.495 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.653 -1.858 8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.736 -0.621 10.093 1.00 0.00 H new ATOM 421 N GLY A 28 -0.369 -5.582 11.137 1.00 0.00 N ATOM 422 CA GLY A 28 0.485 -6.584 10.536 1.00 0.00 C ATOM 423 C GLY A 28 0.784 -7.710 11.496 1.00 0.00 C ATOM 424 O GLY A 28 -0.022 -7.981 12.392 1.00 0.00 O ATOM 0 H GLY A 28 -0.450 -5.642 12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.004 -6.984 9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.418 -6.122 10.215 1.00 0.00 H new ATOM 428 N PRO A 29 1.928 -8.392 11.331 1.00 0.00 N ATOM 429 CA PRO A 29 2.348 -9.477 12.223 1.00 0.00 C ATOM 430 C PRO A 29 2.373 -9.039 13.687 1.00 0.00 C ATOM 431 O PRO A 29 2.838 -7.943 14.014 1.00 0.00 O ATOM 432 CB PRO A 29 3.766 -9.827 11.748 1.00 0.00 C ATOM 433 CG PRO A 29 4.177 -8.707 10.853 1.00 0.00 C ATOM 434 CD PRO A 29 2.913 -8.155 10.266 1.00 0.00 C ATOM 0 HA PRO A 29 1.659 -10.320 12.181 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.449 -9.925 12.592 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.778 -10.778 11.216 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.714 -7.940 11.411 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.848 -9.061 10.070 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.006 -7.095 10.030 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.640 -8.665 9.342 1.00 0.00 H new ATOM 442 N THR A 30 1.904 -9.915 14.561 1.00 0.00 N ATOM 443 CA THR A 30 1.745 -9.596 15.975 1.00 0.00 C ATOM 444 C THR A 30 3.057 -9.696 16.747 1.00 0.00 C ATOM 445 O THR A 30 3.067 -9.745 17.979 1.00 0.00 O ATOM 446 CB THR A 30 0.707 -10.521 16.612 1.00 0.00 C ATOM 447 OG1 THR A 30 0.772 -11.820 16.003 1.00 0.00 O ATOM 448 CG2 THR A 30 -0.688 -9.944 16.456 1.00 0.00 C ATOM 0 H THR A 30 1.623 -10.864 14.314 1.00 0.00 H new ATOM 0 HA THR A 30 1.407 -8.561 16.030 1.00 0.00 H new ATOM 0 HB THR A 30 0.927 -10.612 17.676 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.106 -12.409 16.416 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.413 -10.616 16.915 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.736 -8.970 16.944 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.919 -9.831 15.397 1.00 0.00 H new ATOM 456 N ASP A 31 4.159 -9.717 16.018 1.00 0.00 N ATOM 457 CA ASP A 31 5.480 -9.728 16.631 1.00 0.00 C ATOM 458 C ASP A 31 5.864 -8.320 17.069 1.00 0.00 C ATOM 459 O ASP A 31 6.571 -8.133 18.059 1.00 0.00 O ATOM 460 CB ASP A 31 6.524 -10.282 15.658 1.00 0.00 C ATOM 461 CG ASP A 31 7.862 -10.527 16.329 1.00 0.00 C ATOM 462 OD1 ASP A 31 7.935 -11.422 17.196 1.00 0.00 O ATOM 463 OD2 ASP A 31 8.843 -9.828 15.998 1.00 0.00 O ATOM 0 H ASP A 31 4.167 -9.727 14.998 1.00 0.00 H new ATOM 0 HA ASP A 31 5.449 -10.377 17.507 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.159 -11.215 15.229 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.656 -9.582 14.833 1.00 0.00 H new ATOM 468 N GLY A 32 5.372 -7.330 16.331 1.00 0.00 N ATOM 469 CA GLY A 32 5.642 -5.946 16.672 1.00 0.00 C ATOM 470 C GLY A 32 6.167 -5.138 15.499 1.00 0.00 C ATOM 471 O GLY A 32 7.365 -5.146 15.214 1.00 0.00 O ATOM 0 H GLY A 32 4.791 -7.462 15.503 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.727 -5.484 17.044 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.369 -5.913 17.484 1.00 0.00 H new ATOM 475 N VAL A 33 5.273 -4.443 14.810 1.00 0.00 N ATOM 476 CA VAL A 33 5.670 -3.554 13.725 1.00 0.00 C ATOM 477 C VAL A 33 5.604 -2.107 14.203 1.00 0.00 C ATOM 478 O VAL A 33 4.605 -1.684 14.782 1.00 0.00 O ATOM 479 CB VAL A 33 4.746 -3.696 12.493 1.00 0.00 C ATOM 480 CG1 VAL A 33 5.365 -3.049 11.266 1.00 0.00 C ATOM 481 CG2 VAL A 33 4.409 -5.153 12.219 1.00 0.00 C ATOM 0 H VAL A 33 4.268 -4.477 14.982 1.00 0.00 H new ATOM 0 HA VAL A 33 6.684 -3.828 13.435 1.00 0.00 H new ATOM 0 HB VAL A 33 3.817 -3.173 12.720 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.693 -3.165 10.416 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.529 -1.989 11.457 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.318 -3.529 11.043 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.758 -5.218 11.347 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.327 -5.709 12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.900 -5.578 13.084 1.00 0.00 H new ATOM 491 N LYS A 34 6.650 -1.346 13.936 1.00 0.00 N ATOM 492 CA LYS A 34 6.698 0.043 14.347 1.00 0.00 C ATOM 493 C LYS A 34 6.057 0.936 13.304 1.00 0.00 C ATOM 494 O LYS A 34 5.355 1.894 13.630 1.00 0.00 O ATOM 495 CB LYS A 34 8.149 0.457 14.575 1.00 0.00 C ATOM 496 CG LYS A 34 8.749 -0.141 15.830 1.00 0.00 C ATOM 497 CD LYS A 34 8.128 0.466 17.076 1.00 0.00 C ATOM 498 CE LYS A 34 8.634 -0.198 18.341 1.00 0.00 C ATOM 499 NZ LYS A 34 8.058 0.431 19.557 1.00 0.00 N ATOM 0 H LYS A 34 7.478 -1.668 13.435 1.00 0.00 H new ATOM 0 HA LYS A 34 6.139 0.153 15.276 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.746 0.154 13.715 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.205 1.544 14.635 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.595 -1.220 15.832 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.826 0.027 15.838 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.352 1.532 17.111 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.043 0.370 17.025 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.379 -1.258 18.323 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.721 -0.132 18.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.426 -0.048 20.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.322 1.436 19.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.022 0.346 19.534 1.00 0.00 H new ATOM 513 N SER A 35 6.270 0.576 12.051 1.00 0.00 N ATOM 514 CA SER A 35 5.837 1.388 10.923 1.00 0.00 C ATOM 515 C SER A 35 5.762 0.534 9.669 1.00 0.00 C ATOM 516 O SER A 35 6.332 -0.557 9.615 1.00 0.00 O ATOM 517 CB SER A 35 6.804 2.555 10.680 1.00 0.00 C ATOM 518 OG SER A 35 6.889 3.400 11.814 1.00 0.00 O ATOM 0 H SER A 35 6.747 -0.285 11.785 1.00 0.00 H new ATOM 0 HA SER A 35 4.852 1.792 11.157 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.793 2.166 10.439 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.470 3.133 9.818 1.00 0.00 H new ATOM 0 HG SER A 35 6.021 3.827 11.970 1.00 0.00 H new ATOM 524 N ALA A 36 5.077 1.042 8.664 1.00 0.00 N ATOM 525 CA ALA A 36 4.935 0.334 7.407 1.00 0.00 C ATOM 526 C ALA A 36 5.353 1.237 6.262 1.00 0.00 C ATOM 527 O ALA A 36 4.938 2.395 6.188 1.00 0.00 O ATOM 528 CB ALA A 36 3.507 -0.156 7.220 1.00 0.00 C ATOM 0 H ALA A 36 4.608 1.947 8.694 1.00 0.00 H new ATOM 0 HA ALA A 36 5.585 -0.541 7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.425 -0.684 6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.244 -0.831 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.827 0.696 7.221 1.00 0.00 H new ATOM 534 N THR A 37 6.195 0.715 5.393 1.00 0.00 N ATOM 535 CA THR A 37 6.690 1.480 4.273 1.00 0.00 C ATOM 536 C THR A 37 6.389 0.764 2.966 1.00 0.00 C ATOM 537 O THR A 37 6.650 -0.431 2.821 1.00 0.00 O ATOM 538 CB THR A 37 8.205 1.739 4.396 1.00 0.00 C ATOM 539 OG1 THR A 37 8.884 0.536 4.782 1.00 0.00 O ATOM 540 CG2 THR A 37 8.493 2.838 5.411 1.00 0.00 C ATOM 0 H THR A 37 6.550 -0.240 5.444 1.00 0.00 H new ATOM 0 HA THR A 37 6.179 2.443 4.278 1.00 0.00 H new ATOM 0 HB THR A 37 8.570 2.064 3.422 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.260 -0.219 4.742 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.569 2.999 5.477 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.006 3.761 5.096 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.110 2.541 6.387 1.00 0.00 H new ATOM 548 N VAL A 38 5.830 1.490 2.021 1.00 0.00 N ATOM 549 CA VAL A 38 5.476 0.913 0.740 1.00 0.00 C ATOM 550 C VAL A 38 6.345 1.497 -0.366 1.00 0.00 C ATOM 551 O VAL A 38 6.478 2.716 -0.499 1.00 0.00 O ATOM 552 CB VAL A 38 3.976 1.123 0.422 1.00 0.00 C ATOM 553 CG1 VAL A 38 3.597 2.593 0.498 1.00 0.00 C ATOM 554 CG2 VAL A 38 3.622 0.550 -0.939 1.00 0.00 C ATOM 0 H VAL A 38 5.611 2.482 2.115 1.00 0.00 H new ATOM 0 HA VAL A 38 5.657 -0.161 0.796 1.00 0.00 H new ATOM 0 HB VAL A 38 3.402 0.587 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.537 2.708 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.795 2.968 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.187 3.159 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.562 0.711 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.214 1.046 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.835 -0.519 -0.950 1.00 0.00 H new ATOM 564 N THR A 39 6.962 0.619 -1.136 1.00 0.00 N ATOM 565 CA THR A 39 7.800 1.035 -2.241 1.00 0.00 C ATOM 566 C THR A 39 7.107 0.719 -3.562 1.00 0.00 C ATOM 567 O THR A 39 6.645 -0.403 -3.778 1.00 0.00 O ATOM 568 CB THR A 39 9.178 0.337 -2.185 1.00 0.00 C ATOM 569 OG1 THR A 39 9.817 0.622 -0.931 1.00 0.00 O ATOM 570 CG2 THR A 39 10.076 0.796 -3.326 1.00 0.00 C ATOM 0 H THR A 39 6.896 -0.392 -1.014 1.00 0.00 H new ATOM 0 HA THR A 39 7.961 2.110 -2.165 1.00 0.00 H new ATOM 0 HB THR A 39 9.016 -0.736 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.222 1.514 -0.966 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.038 0.287 -3.259 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.604 0.557 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.230 1.873 -3.257 1.00 0.00 H new ATOM 578 N PHE A 40 7.028 1.705 -4.440 1.00 0.00 N ATOM 579 CA PHE A 40 6.343 1.528 -5.707 1.00 0.00 C ATOM 580 C PHE A 40 7.344 1.304 -6.826 1.00 0.00 C ATOM 581 O PHE A 40 8.185 2.156 -7.107 1.00 0.00 O ATOM 582 CB PHE A 40 5.466 2.745 -6.017 1.00 0.00 C ATOM 583 CG PHE A 40 4.308 2.909 -5.077 1.00 0.00 C ATOM 584 CD1 PHE A 40 3.133 2.205 -5.279 1.00 0.00 C ATOM 585 CD2 PHE A 40 4.391 3.773 -3.996 1.00 0.00 C ATOM 586 CE1 PHE A 40 2.061 2.359 -4.420 1.00 0.00 C ATOM 587 CE2 PHE A 40 3.323 3.929 -3.135 1.00 0.00 C ATOM 588 CZ PHE A 40 2.158 3.221 -3.345 1.00 0.00 C ATOM 0 H PHE A 40 7.428 2.632 -4.299 1.00 0.00 H new ATOM 0 HA PHE A 40 5.704 0.648 -5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.082 3.644 -5.981 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.087 2.659 -7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.053 1.528 -6.117 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.301 4.330 -3.826 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.149 1.806 -4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.400 4.606 -2.297 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.323 3.340 -2.670 1.00 0.00 H new ATOM 598 N THR A 41 7.256 0.132 -7.433 1.00 0.00 N ATOM 599 CA THR A 41 8.099 -0.232 -8.557 1.00 0.00 C ATOM 600 C THR A 41 7.286 -0.096 -9.849 1.00 0.00 C ATOM 601 O THR A 41 6.115 0.285 -9.793 1.00 0.00 O ATOM 602 CB THR A 41 8.632 -1.672 -8.371 1.00 0.00 C ATOM 603 OG1 THR A 41 8.946 -1.878 -6.986 1.00 0.00 O ATOM 604 CG2 THR A 41 9.886 -1.922 -9.202 1.00 0.00 C ATOM 0 H THR A 41 6.596 -0.595 -7.158 1.00 0.00 H new ATOM 0 HA THR A 41 8.961 0.433 -8.615 1.00 0.00 H new ATOM 0 HB THR A 41 7.859 -2.364 -8.704 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.283 -2.789 -6.859 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.229 -2.944 -9.044 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.658 -1.775 -10.258 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.668 -1.226 -8.899 1.00 0.00 H new ATOM 612 N GLU A 42 7.901 -0.399 -10.991 1.00 0.00 N ATOM 613 CA GLU A 42 7.278 -0.263 -12.300 1.00 0.00 C ATOM 614 C GLU A 42 5.838 -0.797 -12.327 1.00 0.00 C ATOM 615 O GLU A 42 4.883 -0.035 -12.492 1.00 0.00 O ATOM 616 CB GLU A 42 8.118 -1.030 -13.319 1.00 0.00 C ATOM 617 CG GLU A 42 9.602 -0.677 -13.305 1.00 0.00 C ATOM 618 CD GLU A 42 9.876 0.753 -13.708 1.00 0.00 C ATOM 619 OE1 GLU A 42 9.657 1.087 -14.890 1.00 0.00 O ATOM 620 OE2 GLU A 42 10.327 1.543 -12.851 1.00 0.00 O ATOM 0 H GLU A 42 8.858 -0.750 -11.030 1.00 0.00 H new ATOM 0 HA GLU A 42 7.232 0.799 -12.541 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.009 -2.098 -13.131 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.721 -0.840 -14.316 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.001 -0.849 -12.305 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.135 -1.347 -13.980 1.00 0.00 H new ATOM 627 N ASP A 43 5.687 -2.102 -12.158 1.00 0.00 N ATOM 628 CA ASP A 43 4.374 -2.729 -12.241 1.00 0.00 C ATOM 629 C ASP A 43 4.075 -3.548 -10.993 1.00 0.00 C ATOM 630 O ASP A 43 3.079 -4.274 -10.938 1.00 0.00 O ATOM 631 CB ASP A 43 4.274 -3.613 -13.493 1.00 0.00 C ATOM 632 CG ASP A 43 5.165 -4.842 -13.441 1.00 0.00 C ATOM 633 OD1 ASP A 43 6.402 -4.696 -13.551 1.00 0.00 O ATOM 634 OD2 ASP A 43 4.632 -5.967 -13.322 1.00 0.00 O ATOM 0 H ASP A 43 6.453 -2.746 -11.963 1.00 0.00 H new ATOM 0 HA ASP A 43 3.631 -1.935 -12.313 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.239 -3.930 -13.622 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.538 -3.020 -14.369 1.00 0.00 H new ATOM 639 N GLU A 44 4.920 -3.413 -9.979 1.00 0.00 N ATOM 640 CA GLU A 44 4.764 -4.193 -8.761 1.00 0.00 C ATOM 641 C GLU A 44 4.894 -3.320 -7.522 1.00 0.00 C ATOM 642 O GLU A 44 5.689 -2.378 -7.480 1.00 0.00 O ATOM 643 CB GLU A 44 5.794 -5.319 -8.712 1.00 0.00 C ATOM 644 CG GLU A 44 5.681 -6.279 -9.878 1.00 0.00 C ATOM 645 CD GLU A 44 6.741 -7.355 -9.860 1.00 0.00 C ATOM 646 OE1 GLU A 44 7.942 -7.013 -9.862 1.00 0.00 O ATOM 647 OE2 GLU A 44 6.375 -8.548 -9.862 1.00 0.00 O ATOM 0 H GLU A 44 5.715 -2.774 -9.976 1.00 0.00 H new ATOM 0 HA GLU A 44 3.763 -4.623 -8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.795 -4.887 -8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.674 -5.872 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.696 -6.746 -9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.754 -5.720 -10.811 1.00 0.00 H new ATOM 654 N VAL A 45 4.098 -3.640 -6.522 1.00 0.00 N ATOM 655 CA VAL A 45 4.146 -2.963 -5.238 1.00 0.00 C ATOM 656 C VAL A 45 4.995 -3.767 -4.262 1.00 0.00 C ATOM 657 O VAL A 45 4.789 -4.972 -4.099 1.00 0.00 O ATOM 658 CB VAL A 45 2.733 -2.772 -4.644 1.00 0.00 C ATOM 659 CG1 VAL A 45 2.801 -2.086 -3.285 1.00 0.00 C ATOM 660 CG2 VAL A 45 1.850 -1.981 -5.591 1.00 0.00 C ATOM 0 H VAL A 45 3.397 -4.379 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 45 4.587 -1.979 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 45 2.293 -3.760 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.793 -1.963 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.389 -2.695 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.269 -1.108 -3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.860 -1.860 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.292 -1.000 -5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.763 -2.514 -6.538 1.00 0.00 H new ATOM 670 N VAL A 46 5.958 -3.108 -3.638 1.00 0.00 N ATOM 671 CA VAL A 46 6.805 -3.758 -2.657 1.00 0.00 C ATOM 672 C VAL A 46 6.397 -3.339 -1.252 1.00 0.00 C ATOM 673 O VAL A 46 6.369 -2.146 -0.933 1.00 0.00 O ATOM 674 CB VAL A 46 8.296 -3.411 -2.872 1.00 0.00 C ATOM 675 CG1 VAL A 46 9.176 -4.171 -1.889 1.00 0.00 C ATOM 676 CG2 VAL A 46 8.714 -3.699 -4.306 1.00 0.00 C ATOM 0 H VAL A 46 6.171 -2.123 -3.795 1.00 0.00 H new ATOM 0 HA VAL A 46 6.678 -4.834 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 46 8.427 -2.345 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.221 -3.911 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.897 -3.904 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.041 -5.243 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.767 -3.448 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.564 -4.757 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.111 -3.099 -4.988 1.00 0.00 H new ATOM 686 N GLU A 47 6.080 -4.315 -0.423 1.00 0.00 N ATOM 687 CA GLU A 47 5.759 -4.055 0.963 1.00 0.00 C ATOM 688 C GLU A 47 6.976 -4.234 1.833 1.00 0.00 C ATOM 689 O GLU A 47 7.674 -5.246 1.761 1.00 0.00 O ATOM 690 CB GLU A 47 4.648 -4.967 1.452 1.00 0.00 C ATOM 691 CG GLU A 47 3.272 -4.511 1.029 1.00 0.00 C ATOM 692 CD GLU A 47 2.252 -5.634 1.064 1.00 0.00 C ATOM 693 OE1 GLU A 47 2.180 -6.408 0.088 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.527 -5.752 2.073 1.00 0.00 O ATOM 0 H GLU A 47 6.038 -5.299 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 47 5.417 -3.022 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.822 -5.975 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.686 -5.024 2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.943 -3.705 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.323 -4.102 0.020 1.00 0.00 H new ATOM 701 N THR A 48 7.228 -3.236 2.636 1.00 0.00 N ATOM 702 CA THR A 48 8.317 -3.278 3.584 1.00 0.00 C ATOM 703 C THR A 48 7.811 -2.929 4.973 1.00 0.00 C ATOM 704 O THR A 48 7.345 -1.815 5.216 1.00 0.00 O ATOM 705 CB THR A 48 9.447 -2.313 3.180 1.00 0.00 C ATOM 706 OG1 THR A 48 9.008 -1.462 2.107 1.00 0.00 O ATOM 707 CG2 THR A 48 10.686 -3.087 2.756 1.00 0.00 C ATOM 0 H THR A 48 6.688 -2.371 2.655 1.00 0.00 H new ATOM 0 HA THR A 48 8.721 -4.290 3.589 1.00 0.00 H new ATOM 0 HB THR A 48 9.701 -1.698 4.043 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.279 -0.888 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.473 -2.388 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.030 -3.706 3.585 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.444 -3.723 1.905 1.00 0.00 H new ATOM 715 N GLU A 49 7.903 -3.878 5.881 1.00 0.00 N ATOM 716 CA GLU A 49 7.451 -3.667 7.244 1.00 0.00 C ATOM 717 C GLU A 49 8.646 -3.444 8.147 1.00 0.00 C ATOM 718 O GLU A 49 9.647 -4.148 8.038 1.00 0.00 O ATOM 719 CB GLU A 49 6.646 -4.872 7.736 1.00 0.00 C ATOM 720 CG GLU A 49 5.466 -5.223 6.845 1.00 0.00 C ATOM 721 CD GLU A 49 4.715 -6.443 7.333 1.00 0.00 C ATOM 722 OE1 GLU A 49 5.201 -7.572 7.114 1.00 0.00 O ATOM 723 OE2 GLU A 49 3.635 -6.282 7.934 1.00 0.00 O ATOM 0 H GLU A 49 8.287 -4.806 5.701 1.00 0.00 H new ATOM 0 HA GLU A 49 6.808 -2.787 7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.307 -5.736 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.282 -4.668 8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.784 -4.374 6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.821 -5.401 5.830 1.00 0.00 H new ATOM 730 N VAL A 50 8.552 -2.461 9.025 1.00 0.00 N ATOM 731 CA VAL A 50 9.614 -2.217 9.983 1.00 0.00 C ATOM 732 C VAL A 50 9.208 -2.808 11.318 1.00 0.00 C ATOM 733 O VAL A 50 8.301 -2.308 11.983 1.00 0.00 O ATOM 734 CB VAL A 50 9.903 -0.707 10.147 1.00 0.00 C ATOM 735 CG1 VAL A 50 11.059 -0.484 11.106 1.00 0.00 C ATOM 736 CG2 VAL A 50 10.195 -0.065 8.794 1.00 0.00 C ATOM 0 H VAL A 50 7.758 -1.824 9.094 1.00 0.00 H new ATOM 0 HA VAL A 50 10.527 -2.687 9.616 1.00 0.00 H new ATOM 0 HB VAL A 50 9.015 -0.233 10.566 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.246 0.585 11.208 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.809 -0.903 12.081 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.953 -0.974 10.719 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.396 0.998 8.931 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.065 -0.544 8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.333 -0.190 8.139 1.00 0.00 H new ATOM 746 N MET A 51 9.889 -3.861 11.711 1.00 0.00 N ATOM 747 CA MET A 51 9.505 -4.619 12.880 1.00 0.00 C ATOM 748 C MET A 51 10.586 -4.559 13.942 1.00 0.00 C ATOM 749 O MET A 51 11.769 -4.723 13.642 1.00 0.00 O ATOM 750 CB MET A 51 9.233 -6.061 12.472 1.00 0.00 C ATOM 751 CG MET A 51 8.013 -6.226 11.580 1.00 0.00 C ATOM 752 SD MET A 51 7.764 -7.932 11.050 1.00 0.00 S ATOM 753 CE MET A 51 7.520 -8.746 12.625 1.00 0.00 C ATOM 0 H MET A 51 10.718 -4.214 11.233 1.00 0.00 H new ATOM 0 HA MET A 51 8.600 -4.186 13.306 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.107 -6.453 11.952 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.099 -6.664 13.370 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.128 -5.883 12.115 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.121 -5.589 10.702 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.396 -9.350 12.862 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.375 -7.997 13.403 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.641 -9.388 12.571 1.00 0.00 H new ATOM 763 N GLU A 52 10.169 -4.331 15.179 1.00 0.00 N ATOM 764 CA GLU A 52 11.088 -4.182 16.285 1.00 0.00 C ATOM 765 C GLU A 52 11.760 -5.510 16.615 1.00 0.00 C ATOM 766 O GLU A 52 11.102 -6.489 16.972 1.00 0.00 O ATOM 767 CB GLU A 52 10.346 -3.623 17.499 1.00 0.00 C ATOM 768 CG GLU A 52 9.116 -4.420 17.905 1.00 0.00 C ATOM 769 CD GLU A 52 8.487 -3.909 19.184 1.00 0.00 C ATOM 770 OE1 GLU A 52 8.987 -4.257 20.275 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.488 -3.160 19.110 1.00 0.00 O ATOM 0 H GLU A 52 9.186 -4.245 15.438 1.00 0.00 H new ATOM 0 HA GLU A 52 11.873 -3.480 16.002 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.034 -3.584 18.344 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.045 -2.597 17.285 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.380 -4.380 17.102 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.392 -5.467 18.033 1.00 0.00 H new ATOM 778 N GLY A 53 13.071 -5.545 16.448 1.00 0.00 N ATOM 779 CA GLY A 53 13.826 -6.750 16.727 1.00 0.00 C ATOM 780 C GLY A 53 14.068 -7.555 15.471 1.00 0.00 C ATOM 781 O GLY A 53 14.875 -8.483 15.457 1.00 0.00 O ATOM 0 H GLY A 53 13.630 -4.757 16.122 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.781 -6.485 17.181 1.00 0.00 H new ATOM 0 HA3 GLY A 53 13.287 -7.359 17.452 1.00 0.00 H new ATOM 785 N ARG A 54 13.373 -7.182 14.409 1.00 0.00 N ATOM 786 CA ARG A 54 13.481 -7.871 13.136 1.00 0.00 C ATOM 787 C ARG A 54 14.257 -7.020 12.143 1.00 0.00 C ATOM 788 O ARG A 54 15.303 -7.420 11.634 1.00 0.00 O ATOM 789 CB ARG A 54 12.089 -8.127 12.571 1.00 0.00 C ATOM 790 CG ARG A 54 11.088 -8.629 13.592 1.00 0.00 C ATOM 791 CD ARG A 54 11.039 -10.148 13.657 1.00 0.00 C ATOM 792 NE ARG A 54 12.247 -10.725 14.234 1.00 0.00 N ATOM 793 CZ ARG A 54 12.301 -11.254 15.452 1.00 0.00 C ATOM 794 NH1 ARG A 54 11.244 -11.190 16.254 1.00 0.00 N ATOM 795 NH2 ARG A 54 13.417 -11.832 15.873 1.00 0.00 N ATOM 0 H ARG A 54 12.722 -6.397 14.406 1.00 0.00 H new ATOM 0 HA ARG A 54 14.001 -8.815 13.296 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.712 -7.203 12.132 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.165 -8.856 11.764 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.346 -8.234 14.575 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.098 -8.246 13.345 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.176 -10.455 14.248 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.895 -10.546 12.653 1.00 0.00 H new ATOM 0 HE ARG A 54 13.098 -10.723 13.672 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.389 -10.734 15.935 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.287 -11.597 17.188 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.233 -11.870 15.262 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.460 -12.238 16.808 1.00 0.00 H new ATOM 809 N GLY A 55 13.726 -5.835 11.891 1.00 0.00 N ATOM 810 CA GLY A 55 14.272 -4.959 10.878 1.00 0.00 C ATOM 811 C GLY A 55 13.271 -4.747 9.764 1.00 0.00 C ATOM 812 O GLY A 55 12.083 -5.034 9.941 1.00 0.00 O ATOM 0 H GLY A 55 12.913 -5.460 12.379 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.538 -4.000 11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.189 -5.388 10.474 1.00 0.00 H new ATOM 816 N GLU A 56 13.727 -4.226 8.633 1.00 0.00 N ATOM 817 CA GLU A 56 12.879 -4.093 7.473 1.00 0.00 C ATOM 818 C GLU A 56 12.683 -5.436 6.802 1.00 0.00 C ATOM 819 O GLU A 56 13.644 -6.145 6.487 1.00 0.00 O ATOM 820 CB GLU A 56 13.474 -3.105 6.482 1.00 0.00 C ATOM 821 CG GLU A 56 13.615 -1.699 7.032 1.00 0.00 C ATOM 822 CD GLU A 56 14.868 -1.494 7.860 1.00 0.00 C ATOM 823 OE1 GLU A 56 15.942 -1.253 7.262 1.00 0.00 O ATOM 824 OE2 GLU A 56 14.788 -1.554 9.104 1.00 0.00 O ATOM 0 H GLU A 56 14.681 -3.890 8.501 1.00 0.00 H new ATOM 0 HA GLU A 56 11.911 -3.718 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.455 -3.463 6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.847 -3.076 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.618 -0.992 6.202 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.743 -1.468 7.644 1.00 0.00 H new ATOM 831 N VAL A 57 11.433 -5.772 6.591 1.00 0.00 N ATOM 832 CA VAL A 57 11.067 -7.029 5.970 1.00 0.00 C ATOM 833 C VAL A 57 10.375 -6.774 4.636 1.00 0.00 C ATOM 834 O VAL A 57 9.361 -6.075 4.582 1.00 0.00 O ATOM 835 CB VAL A 57 10.132 -7.839 6.891 1.00 0.00 C ATOM 836 CG1 VAL A 57 9.630 -9.099 6.197 1.00 0.00 C ATOM 837 CG2 VAL A 57 10.836 -8.189 8.193 1.00 0.00 C ATOM 0 H VAL A 57 10.639 -5.184 6.844 1.00 0.00 H new ATOM 0 HA VAL A 57 11.978 -7.604 5.800 1.00 0.00 H new ATOM 0 HB VAL A 57 9.267 -7.217 7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.973 -9.649 6.871 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.079 -8.824 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.478 -9.727 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.161 -8.760 8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.723 -8.785 7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.130 -7.273 8.706 1.00 0.00 H new ATOM 847 N GLN A 58 10.935 -7.321 3.564 1.00 0.00 N ATOM 848 CA GLN A 58 10.349 -7.203 2.248 1.00 0.00 C ATOM 849 C GLN A 58 9.365 -8.341 2.006 1.00 0.00 C ATOM 850 O GLN A 58 9.723 -9.516 2.099 1.00 0.00 O ATOM 851 CB GLN A 58 11.446 -7.227 1.188 1.00 0.00 C ATOM 852 CG GLN A 58 12.528 -6.175 1.397 1.00 0.00 C ATOM 853 CD GLN A 58 13.584 -6.185 0.304 1.00 0.00 C ATOM 854 OE1 GLN A 58 14.173 -5.152 -0.017 1.00 0.00 O ATOM 855 NE2 GLN A 58 13.833 -7.349 -0.276 1.00 0.00 N ATOM 0 H GLN A 58 11.804 -7.855 3.589 1.00 0.00 H new ATOM 0 HA GLN A 58 9.812 -6.256 2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.909 -8.214 1.180 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.994 -7.079 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.065 -5.189 1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.009 -6.343 2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.325 -8.184 0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.533 -7.411 -1.015 1.00 0.00 H new ATOM 864 N LEU A 59 8.131 -7.985 1.714 1.00 0.00 N ATOM 865 CA LEU A 59 7.087 -8.965 1.457 1.00 0.00 C ATOM 866 C LEU A 59 7.016 -9.294 -0.030 1.00 0.00 C ATOM 867 O LEU A 59 7.592 -8.577 -0.852 1.00 0.00 O ATOM 868 CB LEU A 59 5.740 -8.430 1.949 1.00 0.00 C ATOM 869 CG LEU A 59 5.600 -8.343 3.466 1.00 0.00 C ATOM 870 CD1 LEU A 59 4.249 -7.760 3.843 1.00 0.00 C ATOM 871 CD2 LEU A 59 5.783 -9.713 4.099 1.00 0.00 C ATOM 0 H LEU A 59 7.821 -7.015 1.648 1.00 0.00 H new ATOM 0 HA LEU A 59 7.324 -9.881 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.583 -7.438 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.948 -9.070 1.561 1.00 0.00 H new ATOM 0 HG LEU A 59 6.379 -7.682 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.166 -7.705 4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.154 -6.760 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.456 -8.396 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.680 -9.631 5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.026 -10.396 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.774 -10.096 3.857 1.00 0.00 H new ATOM 883 N PRO A 60 6.331 -10.394 -0.395 1.00 0.00 N ATOM 884 CA PRO A 60 6.169 -10.794 -1.794 1.00 0.00 C ATOM 885 C PRO A 60 5.512 -9.696 -2.620 1.00 0.00 C ATOM 886 O PRO A 60 4.520 -9.097 -2.200 1.00 0.00 O ATOM 887 CB PRO A 60 5.276 -12.042 -1.733 1.00 0.00 C ATOM 888 CG PRO A 60 4.694 -12.054 -0.361 1.00 0.00 C ATOM 889 CD PRO A 60 5.671 -11.332 0.524 1.00 0.00 C ATOM 0 HA PRO A 60 7.128 -10.987 -2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.493 -12.001 -2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.854 -12.947 -1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 60 3.722 -11.562 -0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.539 -13.076 -0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.167 -10.810 1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.385 -12.019 0.979 1.00 0.00 H new ATOM 897 N PHE A 61 6.075 -9.444 -3.793 1.00 0.00 N ATOM 898 CA PHE A 61 5.641 -8.346 -4.645 1.00 0.00 C ATOM 899 C PHE A 61 4.171 -8.479 -5.014 1.00 0.00 C ATOM 900 O PHE A 61 3.713 -9.550 -5.416 1.00 0.00 O ATOM 901 CB PHE A 61 6.492 -8.299 -5.915 1.00 0.00 C ATOM 902 CG PHE A 61 7.970 -8.253 -5.645 1.00 0.00 C ATOM 903 CD1 PHE A 61 8.703 -9.422 -5.530 1.00 0.00 C ATOM 904 CD2 PHE A 61 8.624 -7.041 -5.507 1.00 0.00 C ATOM 905 CE1 PHE A 61 10.063 -9.384 -5.279 1.00 0.00 C ATOM 906 CE2 PHE A 61 9.982 -6.996 -5.257 1.00 0.00 C ATOM 907 CZ PHE A 61 10.703 -8.168 -5.142 1.00 0.00 C ATOM 0 H PHE A 61 6.843 -9.993 -4.180 1.00 0.00 H new ATOM 0 HA PHE A 61 5.769 -7.418 -4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.269 -9.175 -6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.210 -7.423 -6.500 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.207 -10.375 -5.638 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.067 -6.120 -5.596 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.623 -10.303 -5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.480 -6.044 -5.151 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.764 -8.134 -4.945 1.00 0.00 H new ATOM 917 N MET A 62 3.440 -7.387 -4.864 1.00 0.00 N ATOM 918 CA MET A 62 2.027 -7.349 -5.206 1.00 0.00 C ATOM 919 C MET A 62 1.830 -6.724 -6.577 1.00 0.00 C ATOM 920 O MET A 62 2.220 -5.580 -6.813 1.00 0.00 O ATOM 921 CB MET A 62 1.233 -6.564 -4.157 1.00 0.00 C ATOM 922 CG MET A 62 1.051 -7.289 -2.828 1.00 0.00 C ATOM 923 SD MET A 62 -0.180 -8.612 -2.885 1.00 0.00 S ATOM 924 CE MET A 62 0.681 -9.878 -3.813 1.00 0.00 C ATOM 0 H MET A 62 3.806 -6.506 -4.504 1.00 0.00 H new ATOM 0 HA MET A 62 1.657 -8.374 -5.226 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.738 -5.616 -3.973 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.250 -6.328 -4.565 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.008 -7.709 -2.519 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.759 -6.566 -2.067 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.469 -10.855 -3.378 1.00 0.00 H new ATOM 0 HE2 MET A 62 0.345 -9.861 -4.850 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.754 -9.689 -3.777 1.00 0.00 H new ATOM 934 N ALA A 63 1.251 -7.488 -7.484 1.00 0.00 N ATOM 935 CA ALA A 63 0.964 -6.997 -8.820 1.00 0.00 C ATOM 936 C ALA A 63 -0.230 -6.052 -8.794 1.00 0.00 C ATOM 937 O ALA A 63 -1.250 -6.352 -8.172 1.00 0.00 O ATOM 938 CB ALA A 63 0.695 -8.163 -9.758 1.00 0.00 C ATOM 0 H ALA A 63 0.969 -8.454 -7.320 1.00 0.00 H new ATOM 0 HA ALA A 63 1.831 -6.446 -9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.481 -7.784 -10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.572 -8.810 -9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.161 -8.732 -9.395 1.00 0.00 H new ATOM 944 N TYR A 64 -0.105 -4.910 -9.460 1.00 0.00 N ATOM 945 CA TYR A 64 -1.199 -3.955 -9.508 1.00 0.00 C ATOM 946 C TYR A 64 -1.477 -3.518 -10.941 1.00 0.00 C ATOM 947 O TYR A 64 -0.626 -3.663 -11.826 1.00 0.00 O ATOM 948 CB TYR A 64 -0.907 -2.732 -8.622 1.00 0.00 C ATOM 949 CG TYR A 64 0.080 -1.733 -9.200 1.00 0.00 C ATOM 950 CD1 TYR A 64 1.452 -1.897 -9.038 1.00 0.00 C ATOM 951 CD2 TYR A 64 -0.367 -0.613 -9.896 1.00 0.00 C ATOM 952 CE1 TYR A 64 2.348 -0.975 -9.548 1.00 0.00 C ATOM 953 CE2 TYR A 64 0.520 0.313 -10.407 1.00 0.00 C ATOM 954 CZ TYR A 64 1.876 0.128 -10.233 1.00 0.00 C ATOM 955 OH TYR A 64 2.759 1.056 -10.738 1.00 0.00 O ATOM 0 H TYR A 64 0.733 -4.627 -9.968 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.088 -4.452 -9.120 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.846 -2.216 -8.422 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.525 -3.082 -7.663 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.824 -2.759 -8.505 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.427 -0.466 -10.039 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.410 -1.116 -9.412 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.154 1.178 -10.940 1.00 0.00 H new ATOM 0 HH TYR A 64 3.412 0.607 -11.315 1.00 0.00 H new ATOM 965 N LYS A 65 -2.678 -3.006 -11.158 1.00 0.00 N ATOM 966 CA LYS A 65 -3.075 -2.465 -12.448 1.00 0.00 C ATOM 967 C LYS A 65 -3.514 -1.026 -12.309 1.00 0.00 C ATOM 968 O LYS A 65 -3.890 -0.579 -11.225 1.00 0.00 O ATOM 969 CB LYS A 65 -4.215 -3.281 -13.050 1.00 0.00 C ATOM 970 CG LYS A 65 -3.768 -4.593 -13.652 1.00 0.00 C ATOM 971 CD LYS A 65 -4.935 -5.343 -14.265 1.00 0.00 C ATOM 972 CE LYS A 65 -4.459 -6.404 -15.238 1.00 0.00 C ATOM 973 NZ LYS A 65 -3.721 -5.808 -16.381 1.00 0.00 N ATOM 0 H LYS A 65 -3.405 -2.954 -10.445 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.210 -2.517 -13.109 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.956 -3.480 -12.276 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.709 -2.687 -13.819 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.012 -4.407 -14.414 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.301 -5.208 -12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.525 -5.809 -13.476 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.590 -4.641 -14.781 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.814 -7.112 -14.718 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.315 -6.967 -15.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.779 -6.445 -17.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.143 -4.889 -16.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.724 -5.672 -16.118 1.00 0.00 H new ATOM 987 N VAL A 66 -3.466 -0.308 -13.412 1.00 0.00 N ATOM 988 CA VAL A 66 -3.864 1.084 -13.436 1.00 0.00 C ATOM 989 C VAL A 66 -5.239 1.225 -14.075 1.00 0.00 C ATOM 990 O VAL A 66 -5.415 0.959 -15.265 1.00 0.00 O ATOM 991 CB VAL A 66 -2.831 1.936 -14.199 1.00 0.00 C ATOM 992 CG1 VAL A 66 -3.295 3.384 -14.322 1.00 0.00 C ATOM 993 CG2 VAL A 66 -1.469 1.861 -13.514 1.00 0.00 C ATOM 0 H VAL A 66 -3.152 -0.670 -14.312 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.912 1.445 -12.409 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.735 1.531 -15.206 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.546 3.961 -14.865 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.241 3.418 -14.862 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.429 3.809 -13.327 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.751 2.468 -14.065 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.554 2.236 -12.494 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.129 0.826 -13.493 1.00 0.00 H new ATOM 1003 N ILE A 67 -6.214 1.619 -13.272 1.00 0.00 N ATOM 1004 CA ILE A 67 -7.574 1.792 -13.757 1.00 0.00 C ATOM 1005 C ILE A 67 -7.717 3.159 -14.404 1.00 0.00 C ATOM 1006 O ILE A 67 -8.130 3.287 -15.557 1.00 0.00 O ATOM 1007 CB ILE A 67 -8.606 1.691 -12.618 1.00 0.00 C ATOM 1008 CG1 ILE A 67 -8.301 0.502 -11.707 1.00 0.00 C ATOM 1009 CG2 ILE A 67 -10.016 1.578 -13.189 1.00 0.00 C ATOM 1010 CD1 ILE A 67 -9.260 0.378 -10.543 1.00 0.00 C ATOM 0 H ILE A 67 -6.089 1.825 -12.281 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.764 0.996 -14.477 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.543 2.600 -12.020 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.334 -0.415 -12.295 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.285 0.598 -11.323 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.735 1.507 -12.372 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.236 2.459 -13.791 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.086 0.686 -13.812 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.987 -0.486 -9.937 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.210 1.280 -9.933 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.275 0.251 -10.920 1.00 0.00 H new ATOM 1022 N SER A 68 -7.361 4.179 -13.645 1.00 0.00 N ATOM 1023 CA SER A 68 -7.486 5.548 -14.095 1.00 0.00 C ATOM 1024 C SER A 68 -6.302 6.357 -13.598 1.00 0.00 C ATOM 1025 O SER A 68 -5.717 6.047 -12.559 1.00 0.00 O ATOM 1026 CB SER A 68 -8.779 6.160 -13.567 1.00 0.00 C ATOM 1027 OG SER A 68 -9.849 5.225 -13.617 1.00 0.00 O ATOM 0 H SER A 68 -6.979 4.080 -12.704 1.00 0.00 H new ATOM 0 HA SER A 68 -7.507 5.561 -15.185 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.633 6.495 -12.540 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.035 7.041 -14.156 1.00 0.00 H new ATOM 0 HG SER A 68 -10.665 5.643 -13.271 1.00 0.00 H new ATOM 1033 N GLN A 69 -5.940 7.372 -14.348 1.00 0.00 N ATOM 1034 CA GLN A 69 -4.821 8.224 -13.986 1.00 0.00 C ATOM 1035 C GLN A 69 -5.030 9.629 -14.509 1.00 0.00 C ATOM 1036 O GLN A 69 -5.392 9.827 -15.668 1.00 0.00 O ATOM 1037 CB GLN A 69 -3.505 7.653 -14.517 1.00 0.00 C ATOM 1038 CG GLN A 69 -2.278 8.417 -14.048 1.00 0.00 C ATOM 1039 CD GLN A 69 -0.981 7.883 -14.632 1.00 0.00 C ATOM 1040 OE1 GLN A 69 0.069 7.953 -13.995 1.00 0.00 O ATOM 1041 NE2 GLN A 69 -1.040 7.365 -15.851 1.00 0.00 N ATOM 0 H GLN A 69 -6.404 7.632 -15.218 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.765 8.261 -12.898 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.417 6.613 -14.203 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.530 7.656 -15.607 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.386 9.467 -14.320 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.224 8.373 -12.960 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.931 7.325 -16.346 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.194 7.006 -16.294 1.00 0.00 H new ATOM 1050 N SER A 70 -4.810 10.589 -13.639 1.00 0.00 N ATOM 1051 CA SER A 70 -4.818 11.986 -14.019 1.00 0.00 C ATOM 1052 C SER A 70 -3.393 12.407 -14.338 1.00 0.00 C ATOM 1053 O SER A 70 -3.160 13.404 -15.023 1.00 0.00 O ATOM 1054 CB SER A 70 -5.377 12.834 -12.879 1.00 0.00 C ATOM 1055 OG SER A 70 -5.600 14.173 -13.285 1.00 0.00 O ATOM 0 H SER A 70 -4.621 10.425 -12.650 1.00 0.00 H new ATOM 0 HA SER A 70 -5.450 12.131 -14.895 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.313 12.400 -12.527 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.682 12.819 -12.039 1.00 0.00 H new ATOM 0 HG SER A 70 -4.741 14.639 -13.360 1.00 0.00 H new ATOM 1061 N THR A 71 -2.446 11.631 -13.802 1.00 0.00 N ATOM 1062 CA THR A 71 -1.016 11.841 -14.021 1.00 0.00 C ATOM 1063 C THR A 71 -0.487 13.029 -13.216 1.00 0.00 C ATOM 1064 O THR A 71 0.633 12.997 -12.708 1.00 0.00 O ATOM 1065 CB THR A 71 -0.692 12.025 -15.516 1.00 0.00 C ATOM 1066 OG1 THR A 71 -1.261 10.947 -16.274 1.00 0.00 O ATOM 1067 CG2 THR A 71 0.812 12.075 -15.756 1.00 0.00 C ATOM 0 H THR A 71 -2.654 10.834 -13.200 1.00 0.00 H new ATOM 0 HA THR A 71 -0.511 10.941 -13.669 1.00 0.00 H new ATOM 0 HB THR A 71 -1.122 12.973 -15.838 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.054 11.070 -17.224 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.006 12.205 -16.821 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.241 12.911 -15.204 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.266 11.144 -15.416 1.00 0.00 H new ATOM 1075 N ASP A 72 -1.307 14.058 -13.070 1.00 0.00 N ATOM 1076 CA ASP A 72 -0.872 15.288 -12.427 1.00 0.00 C ATOM 1077 C ASP A 72 -1.368 15.392 -10.989 1.00 0.00 C ATOM 1078 O ASP A 72 -0.982 16.309 -10.267 1.00 0.00 O ATOM 1079 CB ASP A 72 -1.351 16.501 -13.228 1.00 0.00 C ATOM 1080 CG ASP A 72 -2.817 16.819 -13.001 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -3.673 15.932 -13.218 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -3.126 17.961 -12.602 1.00 0.00 O ATOM 0 H ASP A 72 -2.276 14.066 -13.388 1.00 0.00 H new ATOM 0 HA ASP A 72 0.218 15.270 -12.401 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.750 17.369 -12.957 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.185 16.317 -14.289 1.00 0.00 H new ATOM 1087 N GLY A 73 -2.218 14.468 -10.562 1.00 0.00 N ATOM 1088 CA GLY A 73 -2.737 14.557 -9.215 1.00 0.00 C ATOM 1089 C GLY A 73 -3.266 13.250 -8.666 1.00 0.00 C ATOM 1090 O GLY A 73 -2.894 12.842 -7.569 1.00 0.00 O ATOM 0 H GLY A 73 -2.551 13.676 -11.111 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.948 14.922 -8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.537 15.297 -9.194 1.00 0.00 H new ATOM 1094 N SER A 74 -4.140 12.601 -9.410 1.00 0.00 N ATOM 1095 CA SER A 74 -4.811 11.410 -8.916 1.00 0.00 C ATOM 1096 C SER A 74 -4.507 10.180 -9.758 1.00 0.00 C ATOM 1097 O SER A 74 -4.361 10.261 -10.980 1.00 0.00 O ATOM 1098 CB SER A 74 -6.314 11.658 -8.871 1.00 0.00 C ATOM 1099 OG SER A 74 -6.732 12.417 -9.993 1.00 0.00 O ATOM 0 H SER A 74 -4.403 12.876 -10.356 1.00 0.00 H new ATOM 0 HA SER A 74 -4.434 11.209 -7.913 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.844 10.706 -8.852 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.573 12.185 -7.953 1.00 0.00 H new ATOM 0 HG SER A 74 -7.700 12.564 -9.946 1.00 0.00 H new ATOM 1105 N ILE A 75 -4.384 9.051 -9.080 1.00 0.00 N ATOM 1106 CA ILE A 75 -4.196 7.764 -9.733 1.00 0.00 C ATOM 1107 C ILE A 75 -5.082 6.717 -9.058 1.00 0.00 C ATOM 1108 O ILE A 75 -5.198 6.701 -7.834 1.00 0.00 O ATOM 1109 CB ILE A 75 -2.719 7.295 -9.671 1.00 0.00 C ATOM 1110 CG1 ILE A 75 -1.775 8.411 -10.135 1.00 0.00 C ATOM 1111 CG2 ILE A 75 -2.523 6.042 -10.514 1.00 0.00 C ATOM 1112 CD1 ILE A 75 -0.318 8.010 -10.165 1.00 0.00 C ATOM 0 H ILE A 75 -4.412 9.000 -8.062 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.471 7.880 -10.781 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.478 7.055 -8.635 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.073 8.734 -11.133 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.891 9.270 -9.474 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.481 5.726 -10.460 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.164 5.245 -10.136 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.783 6.256 -11.550 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.284 8.853 -10.503 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.001 7.716 -9.164 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.185 7.172 -10.849 1.00 0.00 H new ATOM 1124 N GLU A 76 -5.725 5.866 -9.847 1.00 0.00 N ATOM 1125 CA GLU A 76 -6.529 4.788 -9.294 1.00 0.00 C ATOM 1126 C GLU A 76 -5.969 3.442 -9.747 1.00 0.00 C ATOM 1127 O GLU A 76 -5.820 3.190 -10.947 1.00 0.00 O ATOM 1128 CB GLU A 76 -7.991 4.922 -9.715 1.00 0.00 C ATOM 1129 CG GLU A 76 -8.937 4.166 -8.799 1.00 0.00 C ATOM 1130 CD GLU A 76 -10.394 4.394 -9.134 1.00 0.00 C ATOM 1131 OE1 GLU A 76 -10.958 5.414 -8.691 1.00 0.00 O ATOM 1132 OE2 GLU A 76 -10.987 3.545 -9.828 1.00 0.00 O ATOM 0 H GLU A 76 -5.705 5.902 -10.866 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.486 4.848 -8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.267 5.977 -9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.107 4.553 -10.734 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.719 3.100 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.755 4.470 -7.768 1.00 0.00 H new ATOM 1139 N ILE A 77 -5.663 2.585 -8.787 1.00 0.00 N ATOM 1140 CA ILE A 77 -5.018 1.309 -9.080 1.00 0.00 C ATOM 1141 C ILE A 77 -5.791 0.144 -8.475 1.00 0.00 C ATOM 1142 O ILE A 77 -6.505 0.307 -7.491 1.00 0.00 O ATOM 1143 CB ILE A 77 -3.562 1.275 -8.565 1.00 0.00 C ATOM 1144 CG1 ILE A 77 -3.515 1.597 -7.066 1.00 0.00 C ATOM 1145 CG2 ILE A 77 -2.699 2.251 -9.357 1.00 0.00 C ATOM 1146 CD1 ILE A 77 -2.127 1.508 -6.466 1.00 0.00 C ATOM 0 H ILE A 77 -5.849 2.747 -7.797 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.010 1.207 -10.165 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.164 0.271 -8.708 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.906 2.602 -6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.175 0.911 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.675 2.217 -8.984 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.710 1.974 -10.411 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.093 3.261 -9.243 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.174 1.749 -5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.740 0.497 -6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.467 2.214 -6.970 1.00 0.00 H new ATOM 1158 N GLN A 78 -5.625 -1.029 -9.066 1.00 0.00 N ATOM 1159 CA GLN A 78 -6.330 -2.226 -8.629 1.00 0.00 C ATOM 1160 C GLN A 78 -5.327 -3.329 -8.312 1.00 0.00 C ATOM 1161 O GLN A 78 -4.273 -3.405 -8.945 1.00 0.00 O ATOM 1162 CB GLN A 78 -7.291 -2.681 -9.731 1.00 0.00 C ATOM 1163 CG GLN A 78 -8.088 -3.931 -9.397 1.00 0.00 C ATOM 1164 CD GLN A 78 -9.126 -4.257 -10.455 1.00 0.00 C ATOM 1165 OE1 GLN A 78 -8.842 -4.955 -11.426 1.00 0.00 O ATOM 1166 NE2 GLN A 78 -10.344 -3.769 -10.264 1.00 0.00 N ATOM 0 H GLN A 78 -5.001 -1.179 -9.859 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.902 -2.005 -7.727 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.986 -1.870 -9.947 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.720 -2.862 -10.641 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.406 -4.775 -9.289 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.583 -3.796 -8.436 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.540 -3.193 -9.445 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.085 -3.969 -10.936 1.00 0.00 H new ATOM 1175 N TYR A 79 -5.640 -4.168 -7.336 1.00 0.00 N ATOM 1176 CA TYR A 79 -4.740 -5.248 -6.956 1.00 0.00 C ATOM 1177 C TYR A 79 -4.985 -6.475 -7.822 1.00 0.00 C ATOM 1178 O TYR A 79 -6.090 -6.678 -8.328 1.00 0.00 O ATOM 1179 CB TYR A 79 -4.934 -5.656 -5.497 1.00 0.00 C ATOM 1180 CG TYR A 79 -4.804 -4.542 -4.482 1.00 0.00 C ATOM 1181 CD1 TYR A 79 -3.751 -3.636 -4.525 1.00 0.00 C ATOM 1182 CD2 TYR A 79 -5.727 -4.425 -3.455 1.00 0.00 C ATOM 1183 CE1 TYR A 79 -3.629 -2.641 -3.571 1.00 0.00 C ATOM 1184 CE2 TYR A 79 -5.617 -3.435 -2.503 1.00 0.00 C ATOM 1185 CZ TYR A 79 -4.568 -2.547 -2.561 1.00 0.00 C ATOM 1186 OH TYR A 79 -4.454 -1.574 -1.594 1.00 0.00 O ATOM 0 H TYR A 79 -6.504 -4.123 -6.796 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.725 -4.876 -7.096 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.922 -6.104 -5.393 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.205 -6.430 -5.255 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.017 -3.710 -5.314 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.549 -5.124 -3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.806 -1.943 -3.615 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.351 -3.357 -1.715 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.654 -1.034 -1.766 1.00 0.00 H new ATOM 1196 N LEU A 80 -3.953 -7.286 -7.990 1.00 0.00 N ATOM 1197 CA LEU A 80 -4.090 -8.575 -8.644 1.00 0.00 C ATOM 1198 C LEU A 80 -3.812 -9.680 -7.634 1.00 0.00 C ATOM 1199 O LEU A 80 -3.247 -9.424 -6.571 1.00 0.00 O ATOM 1200 CB LEU A 80 -3.132 -8.682 -9.833 1.00 0.00 C ATOM 1201 CG LEU A 80 -3.389 -7.682 -10.962 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -2.345 -7.831 -12.056 1.00 0.00 C ATOM 1203 CD2 LEU A 80 -4.786 -7.874 -11.529 1.00 0.00 C ATOM 0 H LEU A 80 -3.005 -7.071 -7.680 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.107 -8.679 -9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.112 -8.546 -9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.194 -9.691 -10.241 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.315 -6.674 -10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.545 -7.111 -12.850 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.354 -7.647 -11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.386 -8.841 -12.463 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.955 -7.156 -12.331 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.883 -8.886 -11.922 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.523 -7.718 -10.741 1.00 0.00 H new ATOM 1215 N GLY A 81 -4.207 -10.901 -7.954 1.00 0.00 N ATOM 1216 CA GLY A 81 -4.040 -11.988 -7.009 1.00 0.00 C ATOM 1217 C GLY A 81 -5.272 -12.169 -6.148 1.00 0.00 C ATOM 1218 O GLY A 81 -6.374 -11.852 -6.584 1.00 0.00 O ATOM 0 H GLY A 81 -4.637 -11.160 -8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.833 -12.912 -7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.177 -11.790 -6.374 1.00 0.00 H new ATOM 1222 N PRO A 82 -5.122 -12.687 -4.917 1.00 0.00 N ATOM 1223 CA PRO A 82 -6.245 -12.862 -3.978 1.00 0.00 C ATOM 1224 C PRO A 82 -6.903 -11.532 -3.589 1.00 0.00 C ATOM 1225 O PRO A 82 -7.949 -11.505 -2.937 1.00 0.00 O ATOM 1226 CB PRO A 82 -5.593 -13.510 -2.750 1.00 0.00 C ATOM 1227 CG PRO A 82 -4.303 -14.071 -3.241 1.00 0.00 C ATOM 1228 CD PRO A 82 -3.851 -13.155 -4.340 1.00 0.00 C ATOM 0 HA PRO A 82 -7.045 -13.457 -4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.428 -12.778 -1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.229 -14.291 -2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.565 -14.114 -2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.434 -15.089 -3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.252 -12.329 -3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.240 -13.677 -5.076 1.00 0.00 H new ATOM 1236 N TYR A 83 -6.279 -10.433 -3.993 1.00 0.00 N ATOM 1237 CA TYR A 83 -6.789 -9.098 -3.707 1.00 0.00 C ATOM 1238 C TYR A 83 -7.414 -8.494 -4.966 1.00 0.00 C ATOM 1239 O TYR A 83 -7.610 -7.283 -5.056 1.00 0.00 O ATOM 1240 CB TYR A 83 -5.654 -8.199 -3.213 1.00 0.00 C ATOM 1241 CG TYR A 83 -4.868 -8.766 -2.050 1.00 0.00 C ATOM 1242 CD1 TYR A 83 -3.785 -9.611 -2.268 1.00 0.00 C ATOM 1243 CD2 TYR A 83 -5.201 -8.453 -0.737 1.00 0.00 C ATOM 1244 CE1 TYR A 83 -3.057 -10.124 -1.215 1.00 0.00 C ATOM 1245 CE2 TYR A 83 -4.473 -8.962 0.323 1.00 0.00 C ATOM 1246 CZ TYR A 83 -3.403 -9.798 0.077 1.00 0.00 C ATOM 1247 OH TYR A 83 -2.672 -10.308 1.125 1.00 0.00 O ATOM 0 H TYR A 83 -5.409 -10.441 -4.526 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.551 -9.172 -2.931 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.970 -8.010 -4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.071 -7.236 -2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.509 -9.870 -3.280 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.041 -7.803 -0.542 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.219 -10.779 -1.403 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -4.740 -8.707 1.338 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.043 -9.982 1.972 1.00 0.00 H new ATOM 1257 N TYR A 84 -7.734 -9.367 -5.921 1.00 0.00 N ATOM 1258 CA TYR A 84 -8.274 -8.972 -7.221 1.00 0.00 C ATOM 1259 C TYR A 84 -9.541 -8.119 -7.069 1.00 0.00 C ATOM 1260 O TYR A 84 -10.171 -8.135 -6.009 1.00 0.00 O ATOM 1261 CB TYR A 84 -8.516 -10.236 -8.068 1.00 0.00 C ATOM 1262 CG TYR A 84 -9.675 -11.096 -7.612 1.00 0.00 C ATOM 1263 CD1 TYR A 84 -9.704 -11.655 -6.343 1.00 0.00 C ATOM 1264 CD2 TYR A 84 -10.740 -11.346 -8.465 1.00 0.00 C ATOM 1265 CE1 TYR A 84 -10.766 -12.439 -5.938 1.00 0.00 C ATOM 1266 CE2 TYR A 84 -11.804 -12.128 -8.066 1.00 0.00 C ATOM 1267 CZ TYR A 84 -11.811 -12.675 -6.804 1.00 0.00 C ATOM 1268 OH TYR A 84 -12.871 -13.453 -6.406 1.00 0.00 O ATOM 0 H TYR A 84 -7.625 -10.375 -5.813 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.551 -8.341 -7.738 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.690 -9.936 -9.101 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.609 -10.840 -8.060 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.885 -11.475 -5.663 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -10.736 -10.921 -9.458 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.777 -12.866 -4.946 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -12.627 -12.310 -8.741 1.00 0.00 H new ATOM 0 HH TYR A 84 -13.522 -13.518 -7.136 1.00 0.00 H new ATOM 1278 N PRO A 85 -10.007 -7.515 -8.190 1.00 0.00 N ATOM 1279 CA PRO A 85 -10.755 -6.273 -8.311 1.00 0.00 C ATOM 1280 C PRO A 85 -10.950 -5.330 -7.104 1.00 0.00 C ATOM 1281 O PRO A 85 -11.579 -4.277 -7.261 1.00 0.00 O ATOM 1282 CB PRO A 85 -12.037 -6.803 -8.920 1.00 0.00 C ATOM 1283 CG PRO A 85 -11.525 -7.834 -9.900 1.00 0.00 C ATOM 1284 CD PRO A 85 -10.067 -8.104 -9.523 1.00 0.00 C ATOM 0 HA PRO A 85 -10.188 -5.539 -8.884 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -12.692 -7.245 -8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -12.607 -6.017 -9.416 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -12.116 -8.748 -9.845 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -11.600 -7.467 -10.924 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.835 -9.169 -9.513 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.369 -7.631 -10.214 1.00 0.00 H new ATOM 1292 N LEU A 86 -10.446 -5.658 -5.930 1.00 0.00 N ATOM 1293 CA LEU A 86 -10.370 -4.677 -4.862 1.00 0.00 C ATOM 1294 C LEU A 86 -9.247 -3.713 -5.214 1.00 0.00 C ATOM 1295 O LEU A 86 -8.251 -4.107 -5.825 1.00 0.00 O ATOM 1296 CB LEU A 86 -10.136 -5.342 -3.498 1.00 0.00 C ATOM 1297 CG LEU A 86 -10.369 -4.443 -2.267 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -9.156 -3.574 -1.962 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -11.613 -3.580 -2.464 1.00 0.00 C ATOM 0 H LEU A 86 -10.087 -6.583 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.315 -4.141 -4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.791 -6.210 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.111 -5.712 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.526 -5.096 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.362 -2.956 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.294 -4.210 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.943 -2.933 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.763 -2.952 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.483 -2.949 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.483 -4.222 -2.603 1.00 0.00 H new ATOM 1311 N LYS A 87 -9.396 -2.458 -4.850 1.00 0.00 N ATOM 1312 CA LYS A 87 -8.511 -1.439 -5.383 1.00 0.00 C ATOM 1313 C LYS A 87 -8.184 -0.355 -4.370 1.00 0.00 C ATOM 1314 O LYS A 87 -8.740 -0.308 -3.271 1.00 0.00 O ATOM 1315 CB LYS A 87 -9.140 -0.811 -6.628 1.00 0.00 C ATOM 1316 CG LYS A 87 -10.425 -0.045 -6.353 1.00 0.00 C ATOM 1317 CD LYS A 87 -10.977 0.554 -7.631 1.00 0.00 C ATOM 1318 CE LYS A 87 -12.211 1.402 -7.379 1.00 0.00 C ATOM 1319 NZ LYS A 87 -12.754 1.967 -8.641 1.00 0.00 N ATOM 0 H LYS A 87 -10.106 -2.120 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.572 -1.930 -5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.417 -0.136 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.346 -1.597 -7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.164 -0.712 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.234 0.746 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.209 1.165 -8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.224 -0.246 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.976 0.797 -6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.962 2.213 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.437 2.719 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.976 2.362 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.229 1.216 -9.182 1.00 0.00 H new ATOM 1333 N SER A 88 -7.269 0.513 -4.769 1.00 0.00 N ATOM 1334 CA SER A 88 -6.869 1.648 -3.984 1.00 0.00 C ATOM 1335 C SER A 88 -6.848 2.898 -4.849 1.00 0.00 C ATOM 1336 O SER A 88 -6.771 2.814 -6.075 1.00 0.00 O ATOM 1337 CB SER A 88 -5.492 1.401 -3.388 1.00 0.00 C ATOM 1338 OG SER A 88 -5.596 0.821 -2.109 1.00 0.00 O ATOM 0 H SER A 88 -6.782 0.440 -5.662 1.00 0.00 H new ATOM 0 HA SER A 88 -7.585 1.793 -3.175 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.919 0.745 -4.044 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.946 2.342 -3.322 1.00 0.00 H new ATOM 0 HG SER A 88 -5.222 -0.085 -2.129 1.00 0.00 H new ATOM 1344 N THR A 89 -6.915 4.046 -4.212 1.00 0.00 N ATOM 1345 CA THR A 89 -6.905 5.308 -4.919 1.00 0.00 C ATOM 1346 C THR A 89 -5.872 6.236 -4.302 1.00 0.00 C ATOM 1347 O THR A 89 -5.668 6.230 -3.093 1.00 0.00 O ATOM 1348 CB THR A 89 -8.285 5.982 -4.889 1.00 0.00 C ATOM 1349 OG1 THR A 89 -9.311 4.998 -5.077 1.00 0.00 O ATOM 1350 CG2 THR A 89 -8.394 7.033 -5.981 1.00 0.00 C ATOM 0 H THR A 89 -6.977 4.132 -3.198 1.00 0.00 H new ATOM 0 HA THR A 89 -6.649 5.107 -5.959 1.00 0.00 H new ATOM 0 HB THR A 89 -8.409 6.465 -3.920 1.00 0.00 H new ATOM 0 HG1 THR A 89 -10.189 5.433 -5.055 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.379 7.498 -5.942 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.628 7.794 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.253 6.563 -6.954 1.00 0.00 H new ATOM 1358 N LEU A 90 -5.205 7.002 -5.136 1.00 0.00 N ATOM 1359 CA LEU A 90 -4.143 7.887 -4.686 1.00 0.00 C ATOM 1360 C LEU A 90 -4.452 9.326 -5.057 1.00 0.00 C ATOM 1361 O LEU A 90 -4.707 9.638 -6.223 1.00 0.00 O ATOM 1362 CB LEU A 90 -2.804 7.471 -5.302 1.00 0.00 C ATOM 1363 CG LEU A 90 -2.333 6.061 -4.944 1.00 0.00 C ATOM 1364 CD1 LEU A 90 -1.059 5.716 -5.695 1.00 0.00 C ATOM 1365 CD2 LEU A 90 -2.113 5.931 -3.443 1.00 0.00 C ATOM 0 H LEU A 90 -5.379 7.033 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.075 7.810 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.882 7.546 -6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.041 8.183 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.112 5.358 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.740 4.709 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.245 5.764 -6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.277 6.427 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.778 4.920 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.356 6.647 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.047 6.133 -2.919 1.00 0.00 H new ATOM 1377 N LYS A 91 -4.451 10.195 -4.059 1.00 0.00 N ATOM 1378 CA LYS A 91 -4.595 11.624 -4.290 1.00 0.00 C ATOM 1379 C LYS A 91 -3.315 12.339 -3.885 1.00 0.00 C ATOM 1380 O LYS A 91 -2.441 11.753 -3.247 1.00 0.00 O ATOM 1381 CB LYS A 91 -5.770 12.212 -3.502 1.00 0.00 C ATOM 1382 CG LYS A 91 -7.111 11.567 -3.790 1.00 0.00 C ATOM 1383 CD LYS A 91 -7.600 11.852 -5.200 1.00 0.00 C ATOM 1384 CE LYS A 91 -9.068 11.477 -5.365 1.00 0.00 C ATOM 1385 NZ LYS A 91 -9.317 10.028 -5.129 1.00 0.00 N ATOM 0 H LYS A 91 -4.352 9.935 -3.078 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.791 11.769 -5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.558 12.119 -2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.840 13.277 -3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.031 10.489 -3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.847 11.930 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.465 12.910 -5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.997 11.293 -5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.670 12.063 -4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.396 11.739 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.336 9.834 -5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.805 9.468 -5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.984 9.769 -4.179 1.00 0.00 H new ATOM 1399 N ARG A 92 -3.225 13.608 -4.227 1.00 0.00 N ATOM 1400 CA ARG A 92 -2.040 14.392 -3.930 1.00 0.00 C ATOM 1401 C ARG A 92 -2.192 15.114 -2.597 1.00 0.00 C ATOM 1402 O ARG A 92 -3.293 15.529 -2.224 1.00 0.00 O ATOM 1403 CB ARG A 92 -1.784 15.388 -5.057 1.00 0.00 C ATOM 1404 CG ARG A 92 -2.918 16.372 -5.247 1.00 0.00 C ATOM 1405 CD ARG A 92 -2.720 17.241 -6.478 1.00 0.00 C ATOM 1406 NE ARG A 92 -3.818 18.192 -6.647 1.00 0.00 N ATOM 1407 CZ ARG A 92 -4.817 18.035 -7.513 1.00 0.00 C ATOM 1408 NH1 ARG A 92 -4.848 16.975 -8.313 1.00 0.00 N ATOM 1409 NH2 ARG A 92 -5.787 18.935 -7.573 1.00 0.00 N ATOM 0 H ARG A 92 -3.960 14.121 -4.713 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.184 13.721 -3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.866 15.937 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.624 14.842 -5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.859 15.828 -5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.998 17.007 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.778 17.783 -6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.646 16.609 -7.363 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.819 19.029 -6.064 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.105 16.278 -8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.615 16.858 -8.975 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.768 19.747 -6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.553 18.816 -8.236 1.00 0.00 H new ATOM 1423 N GLY A 93 -1.092 15.244 -1.874 1.00 0.00 N ATOM 1424 CA GLY A 93 -1.117 15.908 -0.598 1.00 0.00 C ATOM 1425 C GLY A 93 -0.516 17.289 -0.674 1.00 0.00 C ATOM 1426 O GLY A 93 0.512 17.496 -1.321 1.00 0.00 O ATOM 0 H GLY A 93 -0.175 14.896 -2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.146 15.978 -0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.569 15.313 0.132 1.00 0.00 H new ATOM 1430 N GLU A 94 -1.156 18.223 0.000 1.00 0.00 N ATOM 1431 CA GLU A 94 -0.785 19.631 -0.044 1.00 0.00 C ATOM 1432 C GLU A 94 0.636 19.863 0.444 1.00 0.00 C ATOM 1433 O GLU A 94 1.356 20.712 -0.078 1.00 0.00 O ATOM 1434 CB GLU A 94 -1.752 20.427 0.823 1.00 0.00 C ATOM 1435 CG GLU A 94 -3.210 20.201 0.464 1.00 0.00 C ATOM 1436 CD GLU A 94 -4.153 20.738 1.517 1.00 0.00 C ATOM 1437 OE1 GLU A 94 -4.454 21.949 1.486 1.00 0.00 O ATOM 1438 OE2 GLU A 94 -4.598 19.950 2.378 1.00 0.00 O ATOM 0 H GLU A 94 -1.957 18.028 0.601 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.836 19.960 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.597 20.158 1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.523 21.489 0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.425 20.681 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.387 19.134 0.331 1.00 0.00 H new ATOM 1445 N ASN A 95 1.034 19.090 1.433 1.00 0.00 N ATOM 1446 CA ASN A 95 2.322 19.279 2.093 1.00 0.00 C ATOM 1447 C ASN A 95 3.385 18.363 1.504 1.00 0.00 C ATOM 1448 O ASN A 95 4.381 18.050 2.162 1.00 0.00 O ATOM 1449 CB ASN A 95 2.175 19.020 3.595 1.00 0.00 C ATOM 1450 CG ASN A 95 1.279 20.038 4.278 1.00 0.00 C ATOM 1451 OD1 ASN A 95 1.221 21.199 3.880 1.00 0.00 O ATOM 1452 ND2 ASN A 95 0.561 19.609 5.304 1.00 0.00 N ATOM 0 H ASN A 95 0.483 18.316 1.805 1.00 0.00 H new ATOM 0 HA ASN A 95 2.642 20.308 1.931 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.767 18.021 3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.160 19.038 4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.066 20.250 5.791 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.634 18.638 5.607 1.00 0.00 H new ATOM 1459 N GLY A 96 3.185 17.957 0.257 1.00 0.00 N ATOM 1460 CA GLY A 96 4.110 17.040 -0.374 1.00 0.00 C ATOM 1461 C GLY A 96 3.914 15.630 0.126 1.00 0.00 C ATOM 1462 O GLY A 96 4.877 14.917 0.409 1.00 0.00 O ATOM 0 H GLY A 96 2.400 18.246 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.971 17.067 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.133 17.359 -0.176 1.00 0.00 H new ATOM 1466 N THR A 97 2.658 15.241 0.258 1.00 0.00 N ATOM 1467 CA THR A 97 2.309 13.926 0.756 1.00 0.00 C ATOM 1468 C THR A 97 1.483 13.165 -0.271 1.00 0.00 C ATOM 1469 O THR A 97 1.120 13.712 -1.314 1.00 0.00 O ATOM 1470 CB THR A 97 1.527 14.031 2.082 1.00 0.00 C ATOM 1471 OG1 THR A 97 0.482 15.008 1.965 1.00 0.00 O ATOM 1472 CG2 THR A 97 2.451 14.409 3.232 1.00 0.00 C ATOM 0 H THR A 97 1.856 15.826 0.024 1.00 0.00 H new ATOM 0 HA THR A 97 3.235 13.381 0.938 1.00 0.00 H new ATOM 0 HB THR A 97 1.090 13.055 2.293 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.009 15.065 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.875 14.476 4.155 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.225 13.649 3.342 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.916 15.373 3.024 1.00 0.00 H new ATOM 1480 N LEU A 98 1.207 11.905 0.015 1.00 0.00 N ATOM 1481 CA LEU A 98 0.359 11.101 -0.845 1.00 0.00 C ATOM 1482 C LEU A 98 -0.844 10.625 -0.046 1.00 0.00 C ATOM 1483 O LEU A 98 -0.699 10.140 1.076 1.00 0.00 O ATOM 1484 CB LEU A 98 1.139 9.907 -1.408 1.00 0.00 C ATOM 1485 CG LEU A 98 0.428 9.113 -2.509 1.00 0.00 C ATOM 1486 CD1 LEU A 98 0.216 9.982 -3.742 1.00 0.00 C ATOM 1487 CD2 LEU A 98 1.230 7.870 -2.869 1.00 0.00 C ATOM 0 H LEU A 98 1.559 11.416 0.838 1.00 0.00 H new ATOM 0 HA LEU A 98 0.020 11.704 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.089 10.269 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.372 9.228 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.547 8.801 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.290 9.402 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.395 10.845 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.181 10.322 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.712 7.317 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.217 8.164 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.336 7.237 -1.988 1.00 0.00 H new ATOM 1499 N ILE A 99 -2.028 10.793 -0.601 1.00 0.00 N ATOM 1500 CA ILE A 99 -3.241 10.382 0.082 1.00 0.00 C ATOM 1501 C ILE A 99 -3.696 9.032 -0.447 1.00 0.00 C ATOM 1502 O ILE A 99 -4.089 8.910 -1.608 1.00 0.00 O ATOM 1503 CB ILE A 99 -4.372 11.415 -0.083 1.00 0.00 C ATOM 1504 CG1 ILE A 99 -3.920 12.781 0.433 1.00 0.00 C ATOM 1505 CG2 ILE A 99 -5.628 10.956 0.653 1.00 0.00 C ATOM 1506 CD1 ILE A 99 -4.960 13.870 0.265 1.00 0.00 C ATOM 0 H ILE A 99 -2.177 11.210 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.014 10.307 1.145 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.609 11.504 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.665 12.694 1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.011 13.075 -0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.416 11.698 0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.960 10.001 0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -5.406 10.841 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.568 14.810 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.198 13.985 -0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.862 13.599 0.813 1.00 0.00 H new ATOM 1518 N TRP A 100 -3.629 8.031 0.407 1.00 0.00 N ATOM 1519 CA TRP A 100 -3.939 6.669 0.020 1.00 0.00 C ATOM 1520 C TRP A 100 -5.349 6.302 0.457 1.00 0.00 C ATOM 1521 O TRP A 100 -5.653 6.275 1.650 1.00 0.00 O ATOM 1522 CB TRP A 100 -2.921 5.718 0.655 1.00 0.00 C ATOM 1523 CG TRP A 100 -3.030 4.291 0.202 1.00 0.00 C ATOM 1524 CD1 TRP A 100 -3.784 3.804 -0.825 1.00 0.00 C ATOM 1525 CD2 TRP A 100 -2.343 3.169 0.762 1.00 0.00 C ATOM 1526 NE1 TRP A 100 -3.617 2.445 -0.927 1.00 0.00 N ATOM 1527 CE2 TRP A 100 -2.736 2.031 0.033 1.00 0.00 C ATOM 1528 CE3 TRP A 100 -1.434 3.015 1.810 1.00 0.00 C ATOM 1529 CZ2 TRP A 100 -2.252 0.757 0.319 1.00 0.00 C ATOM 1530 CZ3 TRP A 100 -0.956 1.750 2.093 1.00 0.00 C ATOM 1531 CH2 TRP A 100 -1.362 0.637 1.350 1.00 0.00 C ATOM 0 H TRP A 100 -3.359 8.137 1.385 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.885 6.583 -1.065 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -1.917 6.080 0.432 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.039 5.751 1.738 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.419 4.400 -1.464 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -4.076 1.842 -1.609 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -1.111 3.868 2.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -2.568 -0.104 -0.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.255 1.618 2.904 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.965 -0.337 1.595 1.00 0.00 H new ATOM 1542 N GLU A 101 -6.211 6.047 -0.512 1.00 0.00 N ATOM 1543 CA GLU A 101 -7.537 5.543 -0.227 1.00 0.00 C ATOM 1544 C GLU A 101 -7.546 4.041 -0.399 1.00 0.00 C ATOM 1545 O GLU A 101 -7.102 3.508 -1.419 1.00 0.00 O ATOM 1546 CB GLU A 101 -8.559 6.199 -1.153 1.00 0.00 C ATOM 1547 CG GLU A 101 -8.804 7.651 -0.798 1.00 0.00 C ATOM 1548 CD GLU A 101 -9.442 8.461 -1.914 1.00 0.00 C ATOM 1549 OE1 GLU A 101 -8.767 8.715 -2.936 1.00 0.00 O ATOM 1550 OE2 GLU A 101 -10.618 8.865 -1.766 1.00 0.00 O ATOM 0 H GLU A 101 -6.013 6.182 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.807 5.785 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.209 6.133 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.499 5.650 -1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.446 7.696 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.855 8.113 -0.525 1.00 0.00 H new ATOM 1557 N GLN A 102 -8.054 3.369 0.603 1.00 0.00 N ATOM 1558 CA GLN A 102 -8.065 1.911 0.622 1.00 0.00 C ATOM 1559 C GLN A 102 -9.225 1.402 1.467 1.00 0.00 C ATOM 1560 O GLN A 102 -9.364 1.791 2.628 1.00 0.00 O ATOM 1561 CB GLN A 102 -6.723 1.394 1.158 1.00 0.00 C ATOM 1562 CG GLN A 102 -6.416 -0.051 0.790 1.00 0.00 C ATOM 1563 CD GLN A 102 -7.108 -1.062 1.677 1.00 0.00 C ATOM 1564 OE1 GLN A 102 -7.375 -0.804 2.850 1.00 0.00 O ATOM 1565 NE2 GLN A 102 -7.396 -2.225 1.121 1.00 0.00 N ATOM 0 H GLN A 102 -8.471 3.804 1.426 1.00 0.00 H new ATOM 0 HA GLN A 102 -8.202 1.537 -0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.924 2.031 0.779 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.718 1.489 2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.713 -0.225 -0.244 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.339 -0.210 0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.157 -2.397 0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -7.858 -2.951 1.668 1.00 0.00 H new ATOM 1574 N ASN A 103 -10.073 0.562 0.865 1.00 0.00 N ATOM 1575 CA ASN A 103 -11.214 -0.057 1.563 1.00 0.00 C ATOM 1576 C ASN A 103 -12.278 0.971 1.955 1.00 0.00 C ATOM 1577 O ASN A 103 -13.362 0.608 2.410 1.00 0.00 O ATOM 1578 CB ASN A 103 -10.748 -0.814 2.811 1.00 0.00 C ATOM 1579 CG ASN A 103 -10.538 -2.296 2.573 1.00 0.00 C ATOM 1580 OD1 ASN A 103 -11.222 -2.912 1.757 1.00 0.00 O ATOM 1581 ND2 ASN A 103 -9.582 -2.874 3.282 1.00 0.00 N ATOM 0 H ASN A 103 -9.992 0.290 -0.115 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.664 -0.759 0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.816 -0.375 3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.485 -0.682 3.603 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.389 -3.868 3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -9.038 -2.325 3.948 1.00 0.00 H new ATOM 1588 N GLY A 104 -11.971 2.245 1.764 1.00 0.00 N ATOM 1589 CA GLY A 104 -12.871 3.301 2.177 1.00 0.00 C ATOM 1590 C GLY A 104 -12.208 4.257 3.146 1.00 0.00 C ATOM 1591 O GLY A 104 -12.744 5.322 3.445 1.00 0.00 O ATOM 0 H GLY A 104 -11.108 2.568 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.213 3.851 1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.754 2.864 2.644 1.00 0.00 H new ATOM 1595 N GLN A 105 -11.028 3.881 3.627 1.00 0.00 N ATOM 1596 CA GLN A 105 -10.281 4.709 4.563 1.00 0.00 C ATOM 1597 C GLN A 105 -9.312 5.614 3.815 1.00 0.00 C ATOM 1598 O GLN A 105 -8.650 5.179 2.870 1.00 0.00 O ATOM 1599 CB GLN A 105 -9.494 3.838 5.542 1.00 0.00 C ATOM 1600 CG GLN A 105 -10.337 2.810 6.274 1.00 0.00 C ATOM 1601 CD GLN A 105 -9.552 2.081 7.345 1.00 0.00 C ATOM 1602 OE1 GLN A 105 -8.936 1.042 7.093 1.00 0.00 O ATOM 1603 NE2 GLN A 105 -9.567 2.626 8.549 1.00 0.00 N ATOM 0 H GLN A 105 -10.568 3.004 3.382 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.996 5.318 5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.703 3.322 4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.008 4.482 6.275 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -11.195 3.304 6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.728 2.087 5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -10.090 3.486 8.713 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -9.056 2.186 9.314 1.00 0.00 H new ATOM 1612 N ARG A 106 -9.239 6.868 4.229 1.00 0.00 N ATOM 1613 CA ARG A 106 -8.290 7.802 3.660 1.00 0.00 C ATOM 1614 C ARG A 106 -7.085 7.955 4.572 1.00 0.00 C ATOM 1615 O ARG A 106 -7.206 8.415 5.708 1.00 0.00 O ATOM 1616 CB ARG A 106 -8.968 9.143 3.406 1.00 0.00 C ATOM 1617 CG ARG A 106 -9.817 9.118 2.153 1.00 0.00 C ATOM 1618 CD ARG A 106 -10.555 10.416 1.904 1.00 0.00 C ATOM 1619 NE ARG A 106 -11.280 10.352 0.635 1.00 0.00 N ATOM 1620 CZ ARG A 106 -12.473 10.896 0.415 1.00 0.00 C ATOM 1621 NH1 ARG A 106 -13.086 11.581 1.371 1.00 0.00 N ATOM 1622 NH2 ARG A 106 -13.053 10.743 -0.767 1.00 0.00 N ATOM 0 H ARG A 106 -9.830 7.261 4.961 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.935 7.414 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.591 9.402 4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.210 9.921 3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.181 8.900 1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.540 8.306 2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.252 10.608 2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.849 11.246 1.886 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.838 9.854 -0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.642 11.693 2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.001 11.995 1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -12.584 10.211 -1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -13.968 11.157 -0.943 1.00 0.00 H new ATOM 1636 N LYS A 107 -5.926 7.555 4.076 1.00 0.00 N ATOM 1637 CA LYS A 107 -4.723 7.523 4.886 1.00 0.00 C ATOM 1638 C LYS A 107 -3.650 8.430 4.316 1.00 0.00 C ATOM 1639 O LYS A 107 -3.488 8.540 3.101 1.00 0.00 O ATOM 1640 CB LYS A 107 -4.212 6.100 5.008 1.00 0.00 C ATOM 1641 CG LYS A 107 -5.321 5.151 5.386 1.00 0.00 C ATOM 1642 CD LYS A 107 -4.813 3.887 6.027 1.00 0.00 C ATOM 1643 CE LYS A 107 -4.233 4.168 7.396 1.00 0.00 C ATOM 1644 NZ LYS A 107 -3.859 2.918 8.103 1.00 0.00 N ATOM 0 H LYS A 107 -5.794 7.247 3.113 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.974 7.893 5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.770 5.788 4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.423 6.058 5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.004 5.652 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.895 4.896 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.627 3.167 6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.052 3.433 5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.354 4.805 7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.960 4.720 7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.466 3.152 9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.702 2.321 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.147 2.404 7.546 1.00 0.00 H new ATOM 1658 N THR A 108 -2.940 9.094 5.198 1.00 0.00 N ATOM 1659 CA THR A 108 -1.904 10.028 4.791 1.00 0.00 C ATOM 1660 C THR A 108 -0.536 9.349 4.765 1.00 0.00 C ATOM 1661 O THR A 108 -0.081 8.777 5.760 1.00 0.00 O ATOM 1662 CB THR A 108 -1.874 11.275 5.707 1.00 0.00 C ATOM 1663 OG1 THR A 108 -0.848 12.180 5.287 1.00 0.00 O ATOM 1664 CG2 THR A 108 -1.647 10.892 7.164 1.00 0.00 C ATOM 0 H THR A 108 -3.058 9.007 6.207 1.00 0.00 H new ATOM 0 HA THR A 108 -2.143 10.361 3.781 1.00 0.00 H new ATOM 0 HB THR A 108 -2.845 11.763 5.626 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.843 12.964 5.875 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.632 11.792 7.779 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.453 10.238 7.498 1.00 0.00 H new ATOM 0 HG23 THR A 108 -0.694 10.371 7.259 1.00 0.00 H new ATOM 1672 N MET A 109 0.104 9.390 3.607 1.00 0.00 N ATOM 1673 CA MET A 109 1.426 8.812 3.441 1.00 0.00 C ATOM 1674 C MET A 109 2.466 9.921 3.448 1.00 0.00 C ATOM 1675 O MET A 109 2.302 10.939 2.773 1.00 0.00 O ATOM 1676 CB MET A 109 1.500 8.039 2.122 1.00 0.00 C ATOM 1677 CG MET A 109 0.384 7.022 1.946 1.00 0.00 C ATOM 1678 SD MET A 109 0.272 6.391 0.260 1.00 0.00 S ATOM 1679 CE MET A 109 1.808 5.493 0.118 1.00 0.00 C ATOM 0 H MET A 109 -0.275 9.821 2.764 1.00 0.00 H new ATOM 0 HA MET A 109 1.623 8.123 4.263 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.468 8.747 1.294 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.460 7.525 2.065 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.546 6.189 2.631 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.566 7.481 2.221 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.637 4.563 -0.425 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.536 6.100 -0.421 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.191 5.267 1.113 1.00 0.00 H new ATOM 1689 N THR A 110 3.534 9.726 4.203 1.00 0.00 N ATOM 1690 CA THR A 110 4.586 10.713 4.292 1.00 0.00 C ATOM 1691 C THR A 110 5.730 10.354 3.354 1.00 0.00 C ATOM 1692 O THR A 110 6.039 9.173 3.158 1.00 0.00 O ATOM 1693 CB THR A 110 5.103 10.834 5.735 1.00 0.00 C ATOM 1694 OG1 THR A 110 5.424 9.540 6.258 1.00 0.00 O ATOM 1695 CG2 THR A 110 4.068 11.500 6.627 1.00 0.00 C ATOM 0 H THR A 110 3.692 8.888 4.763 1.00 0.00 H new ATOM 0 HA THR A 110 4.173 11.677 3.993 1.00 0.00 H new ATOM 0 HB THR A 110 6.002 11.451 5.720 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.753 9.631 7.177 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.457 11.574 7.643 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.850 12.498 6.248 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.154 10.906 6.631 1.00 0.00 H new ATOM 1703 N ARG A 111 6.344 11.367 2.764 1.00 0.00 N ATOM 1704 CA ARG A 111 7.389 11.144 1.782 1.00 0.00 C ATOM 1705 C ARG A 111 8.747 11.034 2.449 1.00 0.00 C ATOM 1706 O ARG A 111 9.173 11.927 3.184 1.00 0.00 O ATOM 1707 CB ARG A 111 7.400 12.269 0.751 1.00 0.00 C ATOM 1708 CG ARG A 111 8.206 11.940 -0.494 1.00 0.00 C ATOM 1709 CD ARG A 111 8.208 13.100 -1.474 1.00 0.00 C ATOM 1710 NE ARG A 111 8.690 12.703 -2.796 1.00 0.00 N ATOM 1711 CZ ARG A 111 9.352 13.512 -3.617 1.00 0.00 C ATOM 1712 NH1 ARG A 111 9.700 14.732 -3.225 1.00 0.00 N ATOM 1713 NH2 ARG A 111 9.683 13.086 -4.827 1.00 0.00 N ATOM 0 H ARG A 111 6.137 12.349 2.948 1.00 0.00 H new ATOM 0 HA ARG A 111 7.179 10.202 1.275 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.374 12.496 0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.808 13.169 1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.231 11.697 -0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.790 11.055 -0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.198 13.501 -1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.836 13.901 -1.085 1.00 0.00 H new ATOM 0 HE ARG A 111 8.507 11.749 -3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.459 15.055 -2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.208 15.347 -3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.430 12.143 -5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.191 13.701 -5.463 1.00 0.00 H new ATOM 1727 N ILE A 112 9.416 9.928 2.197 1.00 0.00 N ATOM 1728 CA ILE A 112 10.757 9.718 2.704 1.00 0.00 C ATOM 1729 C ILE A 112 11.754 10.479 1.835 1.00 0.00 C ATOM 1730 O ILE A 112 11.460 10.790 0.678 1.00 0.00 O ATOM 1731 CB ILE A 112 11.113 8.217 2.714 1.00 0.00 C ATOM 1732 CG1 ILE A 112 10.000 7.416 3.390 1.00 0.00 C ATOM 1733 CG2 ILE A 112 12.444 7.967 3.416 1.00 0.00 C ATOM 1734 CD1 ILE A 112 9.809 7.746 4.855 1.00 0.00 C ATOM 0 H ILE A 112 9.050 9.156 1.640 1.00 0.00 H new ATOM 0 HA ILE A 112 10.803 10.088 3.728 1.00 0.00 H new ATOM 0 HB ILE A 112 11.213 7.888 1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.064 7.597 2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.221 6.353 3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.666 6.900 3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.236 8.507 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.383 8.315 4.447 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.002 7.137 5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 112 10.731 7.538 5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.556 8.801 4.960 1.00 0.00 H new ATOM 1746 N GLU A 113 12.906 10.809 2.396 1.00 0.00 N ATOM 1747 CA GLU A 113 13.958 11.465 1.639 1.00 0.00 C ATOM 1748 C GLU A 113 14.522 10.488 0.618 1.00 0.00 C ATOM 1749 O GLU A 113 15.413 9.692 0.921 1.00 0.00 O ATOM 1750 CB GLU A 113 15.079 11.958 2.553 1.00 0.00 C ATOM 1751 CG GLU A 113 14.649 12.973 3.610 1.00 0.00 C ATOM 1752 CD GLU A 113 13.846 12.367 4.749 1.00 0.00 C ATOM 1753 OE1 GLU A 113 13.829 11.125 4.888 1.00 0.00 O ATOM 1754 OE2 GLU A 113 13.234 13.133 5.521 1.00 0.00 O ATOM 0 H GLU A 113 13.136 10.633 3.374 1.00 0.00 H new ATOM 0 HA GLU A 113 13.531 12.332 1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 113 15.523 11.098 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.859 12.405 1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.536 13.456 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 113 14.054 13.752 3.132 1.00 0.00 H new